SMILES for Tyrosine-protein kinase Lck

CC#CC(=O)N[C@H]1CC[C@H](CC1)n1nc(-c2ccc(Oc3ccccc3)cc2)c2c(N)ncnc12 |r,wU:9.12,6.5,(4.06,2.48,;3.67,1,;3.27,-.49,;2.87,-1.98,;3.96,-3.07,;1.38,-2.38,;.29,-1.29,;-1.2,-1.69,;-2.28,-.6,;-1.89,.89,;-.4,1.29,;.69,.2,;-2.98,1.98,;-2.42,3.42,;-3.62,4.39,;-3.62,5.93,;-2.29,6.7,;-2.29,8.24,;-3.62,9.01,;-3.62,10.55,;-2.29,11.32,;-.95,10.55,;.38,11.32,;.38,12.86,;-.95,13.63,;-2.29,12.86,;-4.95,8.24,;-4.95,6.7,;-4.91,3.55,;-6.4,3.95,;-6.8,5.43,;-7.49,2.86,;-7.09,1.37,;-5.6,.97,;-4.51,2.06,)|

BDBM340062

CC(=C)C(=O)N1CCC[C@H]1c1nc(-c2ccc(cc2)C(=O)Nc2ccccn2)c2c(N)nccn12 |r|

BDBM50295810

CC(=O)C1=CCn2c3ccccc3c3c4C(=O)NC(=O)c4c4c5ccccc5n(C1)c4c23 |w:4.4|

BDBM50305136

CC(=O)COc1ccc2CCn3nc(c(C(N)=O)c3Nc2c1)-c1ccc(Oc2ccccc2)cc1

BDBM50307535

CC(=O)N1CCC(CC1)Nc1ncc2CCc3c(nn(C)c3-c2n1)C(N)=O

BDBM309869

CC(=O)N1CCC(CC1)c1ccc(Nc2nc(nnc2C(N)=O)N2CCC[C@H](C2)NC(=O)N2CCCCC2)cc1 |r|

BDBM109936

CC(=O)N1CCCC11CCCN(C1)c1ncnc2[nH]ccc12

BDBM50575344

CC(=O)N1CCN(CC1)[C@H]1C[C@H](C1)n1cc(-c2cc(O)ccc2F)c2c(N)ncnc12 |r,wU:11.14,9.9,(5.38,-23.19,;6.89,-22.87,;7.92,-24.01,;7.36,-21.4,;6.33,-20.26,;6.8,-18.8,;8.31,-18.48,;9.35,-19.61,;8.87,-21.08,;8.78,-17.01,;8.08,-15.64,;9.45,-14.94,;10.15,-16.31,;9.91,-13.47,;9,-12.23,;9.9,-10.98,;9.42,-9.52,;10.45,-8.37,;9.97,-6.91,;11,-5.76,;8.46,-6.59,;7.43,-7.75,;7.92,-9.21,;6.9,-10.36,;11.37,-11.45,;12.7,-10.67,;12.7,-9.13,;14.04,-11.43,;14.05,-12.98,;12.71,-13.76,;11.37,-12.99,)|

BDBM50156383

CC(=O)N1CCN(CC1)[C@H]1C[C@H](C1)n1cc(-c2cc(OC[C@@H]3CCCO3)ccc2F)c2c(N)ncnc12 |r,wU:21.22,wD:11.14,9.9,(4.28,-11.46,;5,-10.46,;6.22,-10.59,;4.36,-9.06,;2.83,-8.9,;2.2,-7.5,;3.1,-6.26,;4.64,-6.41,;5.27,-7.81,;2.74,-4.76,;3.54,-3.45,;2.24,-2.7,;1.42,-3.96,;1.76,-1.24,;2.66,.02,;1.76,1.24,;2.23,2.7,;3.76,2.91,;4.33,4.34,;5.86,4.56,;6.43,5.99,;7.96,6.21,;9.01,5.1,;10.39,5.78,;10.17,7.31,;8.66,7.57,;3.38,5.55,;1.86,5.34,;1.29,3.91,;.07,3.74,;.3,.77,;-1.03,1.55,;-1.03,2.79,;-2.38,.77,;-2.38,-.77,;-1.03,-1.55,;.3,-.77,)|

BDBM50157628

CC(=O)N1CCN(CC1)[C@H]1C[C@H](C1)n1cc(-c2cccc(OC[C@@H]3CCCO3)c2F)c2c(N)ncnc12 |r,wD:11.14,23.24,9.9,(4.28,-11.46,;5,-10.46,;6.22,-10.59,;4.36,-9.06,;2.83,-8.9,;2.2,-7.5,;3.1,-6.26,;4.64,-6.41,;5.27,-7.81,;2.74,-4.76,;3.54,-3.45,;2.24,-2.7,;1.42,-3.96,;1.76,-1.24,;2.66,.02,;1.76,1.24,;2.23,2.7,;3.76,2.91,;4.33,4.34,;3.38,5.55,;1.86,5.34,;.91,6.55,;1.49,7.98,;.54,9.2,;-.98,9.12,;-1.51,10.57,;-.3,11.52,;.98,10.66,;1.29,3.91,;.07,3.74,;.3,.77,;-1.03,1.55,;-1.03,2.79,;-2.38,.77,;-2.38,-.77,;-1.03,-1.55,;.3,-.77,)|

BDBM50086195

CC(=O)NCCCNC(=O)C(Cc1ccc(OP(O)(O)=O)cc1)NC(=O)Cc1cc(=O)oc2cc(O)ccc12

BDBM50131146

CC(=O)NCCNc1cc(Nc2nc3ccc(cc3s2)C(=O)Nc2c(C)cccc2Cl)ncn1

BDBM50131159

CC(=O)NCCNc1cccc(Nc2nc3ccc(cc3s2)C(=O)Nc2c(C)cccc2Cl)n1

BDBM50118661

CC(=O)N[C@@H](Cc1ccc(O)c(O)c1)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCC(O)=O)C(O)=O

BDBM50086193

CC(=O)N[C@@H](Cc1ccc(OP(O)(O)=O)cc1)C(=O)NCCCNC(=O)c1ccc(cc1)-n1[nH]c(C)cc1=O

BDBM50074249

CC(=O)N[C@@H](Cc1ccc(OP(O)(O)=O)cc1)C(=O)N[C@@H](CCC(O)=O)C(=O)NCCc1ccccc1

BDBM50074243

CC(=O)N[C@@H](Cc1ccc(OP(O)(O)=O)cc1)C(=O)N[C@@H](CCC(O)=O)C(=O)NCc1ccccc1

BDBM50074246

CC(=O)N[C@@H](Cc1ccc(OP(O)(O)=O)cc1)C(=O)N[C@@H](CCC(O)=O)C(=O)Nc1ccccc1

BDBM50074251

CC(=O)N[C@@H](Cc1ccc(OP(O)(O)=O)cc1)C(=O)N[C@@H](CCC(O)=O)C(N)=O

BDBM50112977

CC(=O)N[C@@H](Cc1ccc(OP(O)(O)=O)cc1)C(=O)N[C@H]1CCC(=O)N2CCC[C@H](N2C1=O)C(=O)NC1CC(C(O)=O)c2ccccc12

BDBM50112975

CC(=O)N[C@@H](Cc1ccc(OP(O)(O)=O)cc1)C(=O)N[C@H]1CCC(=O)N2CCC[C@H](N2C1=O)C(=O)NC1CCc2ccccc12

BDBM50112970

CC(=O)N[C@@H](Cc1ccc(OP(O)(O)=O)cc1)C(=O)N[C@H]1CCC(=O)N2CCC[C@H](N2C1=O)C(=O)NCC(C)(C)C

BDBM50112973

CC(=O)N[C@@H](Cc1ccc(OP(O)(O)=O)cc1)C(=O)N[C@H]1CCC(=O)N2CCC[C@H](N2C1=O)C(=O)NCC12CC3CC(CC(C3)C1)C2 |TLB:40:41:45:39.38.44,THB:42:41:38:43.45.44,42:43:38:41.46.40,40:39:45:41.46.42|

BDBM50112958

CC(=O)N[C@@H](Cc1ccc(OP(O)(O)=O)cc1)C(=O)N[C@H]1CCC(=O)N2CCC[C@H](N2C1=O)C(=O)NCC1CCCCC1

BDBM50112959

CC(=O)N[C@@H](Cc1ccc(OP(O)(O)=O)cc1)C(=O)N[C@H]1CCC(=O)N2CCC[C@H](N2C1=O)C(=O)NCc1ccc(Cl)cc1

BDBM50112963

CC(=O)N[C@@H](Cc1ccc(OP(O)(O)=O)cc1)C(=O)N[C@H]1CCC(=O)N2CCC[C@H](N2C1=O)C(=O)NCc1ccc(O)cc1

BDBM50112961

CC(=O)N[C@@H](Cc1ccc(OP(O)(O)=O)cc1)C(=O)N[C@H]1CCC(=O)N2CCC[C@H](N2C1=O)C(=O)NCc1cccc2ccccc12

BDBM50112968

CC(=O)N[C@@H](Cc1ccc(OP(O)(O)=O)cc1)C(=O)N[C@H]1CCC(=O)N2CCC[C@H](N2C1=O)C(=O)NCc1ccccc1

BDBM50112980

CC(=O)N[C@@H](Cc1ccc(OP(O)(O)=O)cc1)C(=O)N[C@H]1CCC(=O)N2CCC[C@H](N2C1=O)C(=O)N[C@@H]1C[C@@H](C(O)=O)c2ccccc12

BDBM50112960

CC(=O)N[C@@H](Cc1ccc(OP(O)(O)=O)cc1)C(=O)N[C@H]1CCC(=O)N2CCC[C@H](N2C1=O)C(=O)N[C@@H]1C[C@H](C(O)=O)c2ccccc12

BDBM50112962

CC(=O)N[C@@H](Cc1ccc(OP(O)(O)=O)cc1)C(=O)N[C@H]1CCC(=O)N2CCC[C@H](N2C1=O)C(=O)N[C@H]1C[C@@H](C(O)=O)c2ccccc12

BDBM50112979

CC(=O)N[C@@H](Cc1ccc(OP(O)(O)=O)cc1)C(=O)N[C@H]1CCC(=O)N2CCC[C@H](N2C1=O)C(=O)N[C@H]1C[C@H](C(O)=O)c2ccccc12

BDBM50112974

CC(=O)N[C@@H](Cc1ccc(OP(O)(O)=O)cc1)C(=O)N[C@H]1CCC(=O)N2CCC[C@H](N2C1=O)C(=O)Nc1cccc2ccccc12

BDBM50064832

CC(=O)N[C@H]1C(=O)N[C@@H](Cc2ccc3ccccc3c2)C(=O)NCC(=O)N[C@@H](CO)C(=O)N[C@H](Cc2ccccc2)C(=O)N[C@H](CSSC1(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(N)=N)C(N)=O

BDBM50064829

CC(=O)N[C@H]1C(=O)N[C@H](Cc2ccc3ccccc3c2)C(=O)NCC(=O)N[C@@H](CO)C(=O)N[C@H](Cc2ccccc2)C(=O)N[C@H](CSSC1(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(N)=N)C(N)=O

BDBM50026679

CC(=O)Nc1cc(Oc2ccc3n(C)c(Nc4cccc(c4)C(C)(C)C)nc3c2)ccn1

BDBM50195355

CC(=O)Nc1ccc(C)c(Nc2nccc(n2)-n2cnc3ccccc23)c1

BDBM50120103

CC(=O)Nc1ccc2c(c1)nc(Nc1c(C)cccc1Cl)c1cncn21

BDBM50120130

CC(=O)Nc1ccc2nc(Nc3c(C)cccc3Cl)c3cncn3c2c1

BDBM50132489

CC(=O)Nc1ccc2ncnc(Nc3ccc(OCc4ccccn4)c(Cl)c3)c2c1

BDBM50145915

CC(=O)Nc1cccc2c1nc(Nc1c(C)cccc1Cl)c1cncn21

BDBM13223

CC(=O)Nc1nc(C)c(s1)C(=O)Nc1c(C)cc(C)cc1C

BDBM50129355

CC(=O)Nc1nc2ccc(cc2s1)C(=O)Nc1c(C)cc(C)cc1C

BDBM50066510

CC(=O)OP(=O)(OC(C)=O)Oc1ccc(CC(N)C(=O)CC(=O)CCCCCCNC(CC(=O)NCCCc2cccc3ccccc23)C(O)=O)cc1

BDBM50025602

CC(=O)Oc1ccc2C(=O)c3ccccc3C(=O)c2c1

BDBM340142

CC(=O)SCC(=O)N1CCC[C@H]1c1nc(-c2ccc(cc2)C(=O)Nc2ccccn2)c2c(N)nccn12 |r|

BDBM50260944

CC(=O)c1ccc(cc1)-n1ccc(C)c(-c2ccc3nc(N)ncc3c2)c1=O

BDBM50030881

CC(=O)c1ccc(cc1)N1CCN(CC1)C(=O)CN1CC[C@H](C1)C(=O)Nc1ccc(O)c(Cl)c1 |r|

BDBM50213368

CC(=O)c1cccc(NC(=O)c2cc3ccc(O)c(O)c3oc2=N)c1

BDBM50129321

CC(=O)c1cccc(O)c1NC(=O)c1ccc2nc(NC(=O)OC(C)(C)C)sc2c1

BDBM50391643

CC(C)(C(=O)NCCn1ccc2ncnc(Nc3ccc(Oc4cccc(Cl)c4)c(Cl)c3)c12)S(C)(=O)=O

BDBM50307987

CC(C)(C)C(=O)N1Cc2c(NC(=O)c3cc(F)cc(F)c3)[nH]nc2C1(C)C

BDBM50099692

CC(C)(C)C(=O)Nc1ccc-2c(c1)C(=O)C(=O)c1ccccc-21

BDBM50021626

CC(C)(C)CNC(=O)CC1CNC(=O)c2cc(cn12)-c1ccsc1

BDBM50503097

CC(C)(C)NC(=O)N1CC(Cn2nc(C(=O)Nc3ccc(c(Cl)c3)-c3ccc(=O)[nH]n3)c3ccccc23)C1

BDBM50503100

CC(C)(C)NC(=O)N1CCC(CC1)n1nc(C(=O)Nc2ccc(NC(=O)c3cnn4ccccc34)c(Cl)c2)c2ccccc12

BDBM50503105

CC(C)(C)NC(=O)N1CCC(CC1)n1nc(C(=O)Nc2ccc(NC(=O)c3cnn4ccccc34)cc2)c2ccccc12

BDBM50503103

CC(C)(C)NC(=O)N1CCC(CC1)n1nc(C(=O)Nc2ccc(c(Cl)c2)-c2ccc(=O)[nH]n2)c2ccccc12

BDBM50593053

CC(C)(C)NC(=O)c1cc(Cl)nc(c1)C#Cc1ccc2c3c(oc2c1)C(C)(C)c1cc(NS(C)(=O)=O)ccc1C3=O

BDBM50593054

CC(C)(C)NC(=O)c1cc(nc(c1)C#Cc1ccc2c3c(oc2c1)C(C)(C)c1cc(NS(C)(=O)=O)ccc1C3=O)C#N

BDBM50593052

CC(C)(C)NC(=O)c1cc(nc(c1)C(F)(F)F)C#Cc1ccc2c3c(oc2c1)C(C)(C)c1cc(NS(C)(=O)=O)ccc1C3=O

BDBM50593047

CC(C)(C)NC(=O)c1ccnc(c1)C#Cc1ccc2c3c(oc2c1)C(C)(C)c1cc(NS(C)(=O)=O)ccc1C3=O

BDBM50401152

CC(C)(C)NS(=O)(=O)c1cncc(c1)-c1ccn2nc(N)nc2c1

BDBM50204578

CC(C)(C)Nc1ncnc2oc(c(-c3ccccc3)c12)-c1ccc(OCCN2CCCC2)cc1

BDBM309576

CC(C)(C)OC(=O)N1CCC[C@H](C1)n1ccc2cc(cc(F)c2c1=O)C1CC1 |r|

BDBM309817

CC(C)(C)OC(=O)N1CC[C@@H]2[C@H]1CCCN2c1cnc(C(N)=O)c(Nc2ccc(cc2)C2CCN(CC2)C2CCCC2)n1 |r|

BDBM309860

CC(C)(C)OC(=O)N[C@@H]1CCCN(C1)c1nnc(C(N)=O)c(Nc2ccc(cc2)C2CCN(CC2)C2CCCC2)n1 |r|

BDBM50184765

CC(C)(C)S(=O)(=O)c1ccc2nccc(Nc3n[nH]c4ccc(F)cc34)c2c1

BDBM50025440

CC(C)(C)[Si](C)(C)Oc1ccc(cc1)-c1cc(=O)c2cc(O)ccc2o1

BDBM50025431

CC(C)(C)[Si](C)(C)Oc1ccc(cc1)-c1cc(=O)c2ccc(O)cc2o1

BDBM50300690

CC(C)(C)c1cc(NC(=O)Nc2ccc(cc2)-c2cn3c(n2)sc2cc(OCCN4CCOCC4)ccc32)no1

BDBM50250180

CC(C)(C)c1cc(NC(=O)Nc2ccc(cc2)-n2nc(-c3ccc(OCCN4CCOCC4)cc3)c3c(N)ncnc23)no1

BDBM50307878

CC(C)(C)c1cc(NC(=O)Nc2cccc(Oc3cccc4[nH]c(=O)[nH]c34)c2)n(n1)-c1ccccc1

BDBM50307880

CC(C)(C)c1cc(NC(=O)c2cccc(Oc3cccc4[nH]c(=O)[nH]c34)c2)n(n1)-c1ccccc1

BDBM309633

CC(C)(C)c1ccc(NC(=O)N[C@@H]2CCCN(C2)c2nnc(C(N)=O)c(Nc3ccc(cc3)C(=O)N3CCOCC3)n2)cc1

BDBM309609

CC(C)(C)c1ccc(NC(=O)N[C@@H]2CCCN(C2)c2nnc(C(N)=O)c(Nc3ccc(cc3)C(=O)N3CCOCC3)n2)cc1 |r|

BDBM309584

CC(C)(C)c1ccc(cc1)C(=O)N[C@@H]1CCCN(C1)c1nnc(C(N)=O)c(Nc2ccc(cc2)S(C)(=O)=O)n1 |r|

BDBM5931

CC(C)(C)c1cnc(CSc2cnc(NC(=O)C3CCNCC3)s2)o1

BDBM514860

CC(C)(C)c1nc(no1)C(=O)NCc1ccc(cc1F)-c1ccnc2[nH]c(nc12)-c1ccc(cn1)N1CCC(O)CC1

BDBM26198

CC(C)(C)c1nc2c([nH]1)c1ccc(F)cc1c1c2cc[nH]c1=O

BDBM50092229

CC(C)(C)n1cc(-c2ccc(Cl)cc2)c2c(N)ncnc12

BDBM50092244

CC(C)(C)n1cc(-c2ccc(Oc3ccc(N)cc3)cc2)c2c(N)ncnc12

BDBM50092249

CC(C)(C)n1cc(-c2ccc(Oc3ccc(O)cc3)cc2)c2c(N)ncnc12

BDBM50092240

CC(C)(C)n1cc(-c2ccc(Oc3cccc(N)c3)cc2)c2c(N)ncnc12

BDBM50092225

CC(C)(C)n1cc(-c2ccc(Oc3ccccc3)cc2)c2c(N)ncnc12

BDBM370416

CC(C)(C)n1cc(C(=O)Nc2cc(Br)[nH]n2)c2c(N)ncnc12

BDBM50142887

CC(C)(C)n1nc(-c2ccc(Cl)cc2)c2c(N)ncnc12

BDBM370350

CC(C)(C)n1nc(C(=O)Nc2cc([nH]n2)C#N)c2c(N)ncnc12

BDBM370344

CC(C)(C)n1nc(C(=O)Nc2cc([nH]n2)C(F)(F)F)c2c(N)ncnc12

BDBM50504980

CC(C)(C)n1nc(c(C(N)=O)c1N)-c1ccc2scnc2c1

BDBM50386693

CC(C)(N)C(=O)NCCn1ccc2ncnc(Nc3ccc(Oc4cccc5sncc45)c(Cl)c3)c12

BDBM50339608

CC(C)(N)c1cc(cc(c1)C(F)(F)F)C(=O)N[C@@H]1CCc2ccc(Oc3ccnc4NC(=O)CCc34)cc2C1 |r|

BDBM340143

CC(C)(O)C#CC(=O)N1CCC[C@H]1c1nc(-c2ccc(cc2)C(=O)Nc2ccccn2)c2c(N)nccn12 |r|

BDBM50358430

CC(C)(O)CC(=O)NCCn1ccc2ncnc(Nc3ccc(Oc4cccc(c4)C(F)(F)F)c(Cl)c3)c12

BDBM50381092

CC(C)(O)c1ccc2cc([nH]c2c1)-c1n[nH]c2ccsc12

BDBM50269557

CC(C)C(=O)N1CCC[C@H](C1)c1nc(-c2ccc(cc2F)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)nccn12 |r|

BDBM50269556

CC(C)C(=O)N1CCO[C@H](C1)c1nc(-c2ccc(cc2F)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)nccn12 |r|

BDBM50129345

CC(C)C(=O)Nc1nc2ccc(cc2s1)C(=O)Nc1c(C)cc(C)cc1C

BDBM50129336

CC(C)C(=O)Nc1nc2ccc(cc2s1)C(=O)Nc1c(C)cccc1C

BDBM50135406

CC(C)C(C)NC(=O)c1sc(NC(=O)OC(C)(C)C)nc1C

BDBM309612

CC(C)C1CCN(CC1)C(=O)N[C@@H]1CCCN(C1)c1nnc(C(N)=O)c(Nc2ccc(cc2)C(=O)N2CCOCC2)n1 |r|

BDBM50378657

CC(C)CC(=O)Nc1[nH]nc2c1CN(C(=O)C1CCN(C)CC1)C2(C)C

BDBM50116414

CC(C)CC1(C)C(=O)NC(=O)c2c1ccc1nc(Nc3c(Cl)cccc3Cl)[nH]c21

BDBM50305133

CC(C)CCCOc1ccc2CCn3nc(c(C(N)=O)c3Nc2c1)-c1ccc(Oc2ccccc2)cc1

BDBM50301605

CC(C)CN1CCN(C[C@H]1[C@H](C)Nc1nccc(n1)-n1cnc2ccccc12)C(=O)Nc1cccc2ccccc12 |r|

BDBM50320212

CC(C)COC(=O)Nc1ccc(c(C)c1)-c1cnc2c(cnn2c1N)-c1cccc(c1)N1CCN(C)CC1

BDBM50320211

CC(C)COC(=O)Nc1ccc(cc1)-c1c(C)nc2c(cnn2c1N)-c1cccc(c1)N1CCN(C)CC1

BDBM50320203

CC(C)COC(=O)Nc1ccc(cc1)-c1cnc2c(cnn2c1N)-c1ccc(cc1)N1CCN(C)CC1

BDBM50320221

CC(C)COC(=O)Nc1ccc(cc1)-c1cnc2c(cnn2c1N)-c1cccc(c1)N1CCN(C)CC1

BDBM50320218

CC(C)COC(=O)Nc1ccc(cc1)-c1cnc2c(cnn2c1N)-c1cccc(c1)N1CCN(CC1)C(=O)CN

BDBM50320217

CC(C)COC(=O)Nc1ccc(cc1)-c1cnc2c(cnn2c1N)-c1cccc(c1)N1CCN(CC1)S(C)(=O)=O

BDBM50320216

CC(C)COC(=O)Nc1ccc(cc1)-c1cnc2c(cnn2c1N)-c1cccc(c1)N1CCNCC1

BDBM50320220

CC(C)COC(=O)Nc1ccc(cc1)-c1cnc2c(cnn2c1N)-c1cccc(c1)N1CCOCC1

BDBM50074253

CC(C)C[C@H](NC(=O)[C@H](Cc1ccc(OP(O)(O)=O)cc1)NC(C)=O)C(=O)N(C)Cc1ccc(C)cc1

BDBM50074245

CC(C)C[C@H](NC(=O)[C@H](Cc1ccc(OP(O)(O)=O)cc1)NC(C)=O)C(=O)NCc1ccc(C)cc1

BDBM50074254

CC(C)C[C@H](NC(=O)[C@H](Cc1ccc(OP(O)(O)=O)cc1)NC(C)=O)C(=O)NCc1ccc(cc1)C(C)(C)C

BDBM50074244

CC(C)C[C@H](NC(=O)[C@H](Cc1ccc(OP(O)(O)=O)cc1)NC(C)=O)C(=O)NCc1ccc(cc1)C(C)C

BDBM50074241

CC(C)C[C@H](NC(=O)[C@H](Cc1ccc(OP(O)(O)=O)cc1)NC(C)=O)C(=O)NCc1ccc(cc1)N(C)C

BDBM50074259

CC(C)C[C@H](NC(=O)[C@H](Cc1ccc(OP(O)(O)=O)cc1)NC(C)=O)C(=O)NCc1ccccc1

BDBM50074255

CC(C)C[C@H](NC(=O)[C@H](Cc1ccc(OP(O)(O)=O)cc1)NC(C)=O)C(=O)NCc1ccccn1

BDBM50074256

CC(C)C[C@H](NC(=O)[C@H](Cc1ccc(OP(O)(O)=O)cc1)NC(C)=O)C(=O)NCc1cccnc1

BDBM50074260

CC(C)C[C@H](NC(=O)[C@H](Cc1ccc(OP(O)(O)=O)cc1)NC(C)=O)C(=O)NCc1ccncc1

BDBM50074257

CC(C)C[C@H](NC(=O)[C@H](Cc1ccc(OP(O)(O)=O)cc1)NC(C)=O)C(=O)N[C@@H](C)c1ccc(C)cc1

BDBM50074247

CC(C)C[C@H](NC(=O)[C@H](Cc1ccc(OP(O)(O)=O)cc1)NC(C)=O)C(=O)N[C@@H](C)c1ccc(cc1)C(C)C

BDBM50074262

CC(C)C[C@H](NC(=O)[C@H](Cc1ccc(OP(O)(O)=O)cc1)NC(C)=O)C(=O)N[C@H](C)c1ccc(C)cc1

BDBM50387330

CC(C)C[C@H]1CN(CCN1)c1ccc(c(n1)C(=O)c1cccnc1N)C(F)(F)F |r|

BDBM81346

CC(C)N(CCC(=O)c1ccc2ccccc2c1)Cc1ccccc1

BDBM17720

CC(C)N(CCOc1ccc(cc1)-c1oc2nccc(NCCN3CCNCC3)c2c1-c1ccccc1)C(C)C

BDBM309795

CC(C)N1CCC(C)(CC1)c1ccc(Nc2nc(cnc2C(N)=O)N2CCC[C@H](C2)N2CCN(C)C2=O)cc1 |r|

BDBM309739

CC(C)N1CCC(CC1)c1ccc(Nc2nc(cnc2C(N)=O)N2CCC[C@H](C2)NC(=O)N(C)C)cc1 |r|

BDBM50396263

CC(C)NC(=O)[C@H]1CC[C@H](CC1)n1c(NC(=O)c2cc(F)cc(F)c2)nc2ccc(CN3CCC(CC3)C(C)(C)O)cc12 |r,wU:9.12,6.5,(45.25,-13.26,;43.74,-12.95,;43.27,-11.48,;42.72,-14.09,;41.21,-13.77,;40.18,-14.92,;40.73,-12.31,;39.23,-11.99,;38.75,-10.54,;39.78,-9.39,;41.28,-9.69,;41.76,-11.16,;39.29,-7.93,;40.2,-6.67,;41.74,-6.66,;42.5,-5.32,;41.72,-4,;44.04,-5.31,;44.81,-6.64,;46.35,-6.63,;47.13,-7.96,;47.11,-5.3,;46.33,-3.96,;47.08,-2.62,;44.79,-3.98,;39.28,-5.42,;37.81,-5.91,;36.47,-5.15,;35.14,-5.92,;35.14,-7.46,;33.81,-8.23,;32.48,-7.46,;32.49,-5.92,;31.16,-5.15,;29.82,-5.91,;29.82,-7.45,;31.15,-8.23,;28.48,-5.13,;27.71,-3.79,;29.25,-3.79,;27.16,-5.9,;36.48,-8.23,;37.82,-7.46,)|

BDBM50396243

CC(C)NC(=O)[C@H]1CC[C@H](CC1)n1c(NC(=O)c2ccc(F)cc2)nc2ccc(CN3CCC(CC3)C(C)(C)O)cc12 |r,wU:9.12,6.5,(21.34,-25.87,;19.83,-25.56,;19.35,-24.09,;18.81,-26.7,;17.3,-26.39,;16.27,-27.53,;16.82,-24.92,;15.31,-24.6,;14.83,-23.15,;15.87,-22,;17.37,-22.31,;17.85,-23.77,;15.38,-20.54,;16.29,-19.28,;17.83,-19.27,;18.59,-17.94,;17.81,-16.61,;20.13,-17.93,;20.9,-19.25,;22.44,-19.25,;23.2,-17.91,;24.74,-17.9,;22.42,-16.57,;20.88,-16.59,;15.37,-18.03,;13.9,-18.52,;12.56,-17.76,;11.23,-18.53,;11.23,-20.07,;9.9,-20.84,;8.56,-20.07,;8.56,-18.53,;7.24,-17.76,;5.9,-18.52,;5.9,-20.06,;7.23,-20.84,;4.56,-17.74,;3.79,-16.41,;5.33,-16.4,;3.23,-18.51,;12.56,-20.84,;13.9,-20.07,)|

BDBM50222913

CC(C)NCc1ccc(Nc2cc(n[nH]2)-c2ccc(cc2)-c2ccc(O)cc2O)cc1

BDBM210300

CC(C)Nc1cc(Nc2nc3ccnn3cc2F)ncc1C(=O)NC[C@@H](F)C(C)(C)O |r|

BDBM50589669

CC(C)Nc1ncc(-c2ccc(Oc3ccnc(c3)-c3cnn(C)c3)c(C)n2)c(=O)n1C

BDBM50236485

CC(C)Nc1ncc(s1)C(=O)Nc1cc(ccc1C)C(=O)Nc1ccnn1C

BDBM50236487

CC(C)Nc1ncc(s1)C(=O)Nc1cc(ccc1C)C(=O)Nc1ccon1

BDBM50236490

CC(C)Nc1ncc(s1)C(=O)Nc1cc(ccc1C)C(N)=O

BDBM50204579

CC(C)Nc1ncnc2oc(c(-c3ccccc3)c12)-c1ccc(OCCN2CCCC2)cc1

BDBM107057

CC(C)Oc1cc(C2CCN(C)CC2)c(C)cc1Nc1nc(Nc2ccccc2S(=O)(=O)C(C)C)c2c(C)[nH]nc2n1

BDBM17728

CC(C)Oc1cc(F)ccc1N(C(=O)Oc1c(C)cccc1C)c1ccnc(Nc2ccc(cc2)N2CCN(C)CC2)n1

BDBM309774

CC(C)Oc1ccc(Nc2nc(cnc2C(N)=O)N2CCC[C@@H](NC(=O)N(C)C)[C@H]2C)cc1 |r|

BDBM309719

CC(C)Oc1ccc(Nc2nc(cnc2C(N)=O)N2CCC[C@H](C2)NC(=O)N(C)C)cc1 |r|

BDBM309620

CC(C)Oc1ccc(cc1)C(=O)N[C@@H]1CCCN(C1)c1nnc(C(N)=O)c(Nc2ccc(cc2)C(=O)N2CCOCC2)n1 |r|

BDBM408592

CC(C)Oc1cccc(Oc2ccc(cc2)-n2c3cnccc3n([C@@H]3CCN(C3)C(=O)C=C)c2=O)c1

BDBM50252781

CC(C)Oc1nncc2cc(ccc12)-c1cc(ccc1C)C(=O)NC1CC1

BDBM50427363

CC(C)[C@@](C)(O)[C@@H]1CN(CCN1)c1nc(-c2n[nH]c3ncccc23)c(F)cc1Cl |r|

BDBM50377352

CC(C)c1c(cn2ncnc(Nc3cnc4[nH]c(C)cc4c3)c12)-c1nnc(C)o1

BDBM50377357

CC(C)c1c(cn2ncnc(Nc3cnc4[nH]ccc4c3)c12)-c1nnc(C)o1

BDBM50129367

CC(C)c1ccc(C)c(NC(=O)c2ccc3nc(NC(=O)OC(C)(C)C)sc3c2)c1C

BDBM50368452

CC(C)c1ccc(cc1C#Cc1cnc2cnccn12)C(=O)Nc1cc(CN2CCN(C)CC2)cc(c1)C(F)(F)F

BDBM50311897

CC(C)c1cccc(NC(=O)c2ccc(C)c(Nc3nc4ccccc4n3-c3cc(N)ncn3)c2)c1

BDBM340163

CC(C)c1ccnc(NC(=O)c2ccc(cc2)-c2nc([C@@H]3CCCN3C(=O)\C=C\CN(C)C)n3ccnc(N)c23)c1 |r|

BDBM340097

CC(C)c1ccnc(NC(=O)c2ccc(cc2)-c2nc([C@@H]3CCCN3C(=O)c3ccnc(Cl)n3)n3ccnc(N)c23)c1 |r|

BDBM50349213

CC(C)c1nc(c(s1)-c1ccnc(Nc2ccc(nc2)N2CCOCC2)n1)-c1ccc(F)c(NS(=O)(=O)c2c(F)cccc2F)c1

BDBM581831

CC(C)n1cc(-c2ccc(C#N)c3[nH]ncc23)c2c(N)nc(Nc3ccc(cc3F)S(C)(=O)=O)nc12

BDBM50092243

CC(C)n1cc(-c2ccc(Oc3ccc(CO)cc3)cc2)c2c(N)ncnc12

BDBM50092255

CC(C)n1cc(-c2ccc(Oc3ccc(cc3)C#N)cc2)c2c(N)ncnc12

BDBM50092257

CC(C)n1cc(-c2ccc(Oc3ccc(cc3)C(O)=O)cc2)c2c(N)ncnc12

BDBM50092233

CC(C)n1cc(-c2ccc(Oc3ccccc3)cc2)c2c(N)ncnc12

BDBM50092256

CC(C)n1cc(-c2ccc(Oc3ccccc3C#N)cc2)c2c(N)ncnc12

BDBM50092247

CC(C)n1cc(-c2ccc(Oc3ccccc3C(O)=O)cc2)c2c(N)ncnc12

BDBM50092236

CC(C)n1cc(-c2ccc(Oc3ccccc3CO)cc2)c2c(N)ncnc12

BDBM50092235

CC(C)n1cc(-c2ccc(Oc3ccccc3N)cc2)c2c(N)ncnc12

BDBM50092254

CC(C)n1cc(-c2ccc(Oc3ccccc3[N+]([O-])=O)cc2)c2c(N)ncnc12

BDBM370418

CC(C)n1cc(C(=O)Nc2cc(Br)[nH]n2)c2c(N)ncnc12

BDBM464412

CC(C)n1cc(C(=O)Nc2cc(C)[nH]n2)c2c(N)ncnc12

BDBM50505817

CC(C)n1cc(cn1)-c1nc(Nc2ccc(N3CCC(CC3)N(C)CCO)c(F)c2)ncc1C

BDBM36409

CC(C)n1nc(-c2cc3cc(O)ccc3[nH]2)c2c(N)ncnc12

BDBM581806

CC(C)n1nc(-c2ccc(F)c3[nH]ncc23)c2c(N)nc(Nc3ccc(cc3F)S(C)(=O)=O)nc12

BDBM581757

CC(C)n1nc(-c2ccc3[nH]ccc3c2)c2c(N)nc(Nc3cn(C)nc3C)nc12

BDBM535758

CC(C)n1nc(C(=O)Nc2cc(C)n[nH]2)c2c(N)ncnc12

BDBM309632

CC(C)n1nnc2cc(ccc12)C(=O)N[C@@H]1CCCN(C1)c1nnc(C(N)=O)c(Nc2ccc(cc2)C(=O)N2CCOCC2)n1 |r|

BDBM340171

CC(NC(=O)C=C)c1nc(-c2ccc(cc2)C(=O)Nc2ccccn2)c2c(N)nccn12

BDBM340112

CC(NC(=O)c1ccnc(Cl)n1)c1nc(-c2ccc(cc2)C(=O)Nc2ccccn2)c2c(N)nccn12

BDBM50301584

CC(Nc1nccc(n1)-n1cnc2ccccc12)C1CCCN(C1)C(=O)Cc1ccccc1

BDBM50301582

CC(Nc1nccc(n1)-n1cnc2ccccc12)C1CCCN(C1)C(=O)NC1CCCCC1

BDBM50301586

CC(Nc1nccc(n1)-n1cnc2ccccc12)C1CCCN(C1)C(=O)Nc1ccc2ccccc2c1

BDBM50301587

CC(Nc1nccc(n1)-n1cnc2ccccc12)C1CCCN(C1)C(=O)Nc1cccc2ccccc12

BDBM50301583

CC(Nc1nccc(n1)-n1cnc2ccccc12)C1CCCN(C1)C(=O)Nc1ccccc1

BDBM50301580

CC(Nc1nccc(n1)-n1cnc2ccccc12)C1CCCN(C1)C(=O)OCc1ccccc1

BDBM50301585

CC(Nc1nccc(n1)-n1cnc2ccccc12)C1CCCN(C1)C(=O)Oc1ccccc1

BDBM50301601

CC(Nc1nccc(n1)-n1cnc2ccccc12)C1CN(C)CCN1C

BDBM50301620

CC(Nc1nccc(n1)-n1cnc2ccccc12)C1CN(CCN1C(=O)OCc1ccccc1)C(=O)Nc1cccc2ccccc12

BDBM50301598

CC(Nc1nccc(n1)-n1cnc2ccccc12)C1CN(CCN1C)C(=O)Nc1ccc2ccccc2c1

BDBM50301594

CC(Nc1nccc(n1)-n1cnc2ccccc12)C1CN(CCN1C)C(=O)Nc1cccc2ccccc12

BDBM50301599

CC(Nc1nccc(n1)-n1cnc2ccccc12)C1CN(CCN1C)S(C)(=O)=O

BDBM50301595

CC(Nc1nccc(n1)-n1cnc2ccccc12)C1CN(CCN1Cc1ccccc1)C(=O)Nc1cccc2ccccc12

BDBM50301597

CC(Nc1nccc(n1)-n1cnc2ccccc12)C1CN(CCN1S(=O)(=O)c1ccccc1)C(=O)Nc1cccc2ccccc12

BDBM50301596

CC(Nc1nccc(n1)-n1cnc2ccccc12)C1CN(CCN1S(C)(=O)=O)C(=O)Nc1cccc2ccccc12

BDBM50301600

CC(Nc1nccc(n1)-n1cnc2ccccc12)C1CN(Cc2ccccc2)CCN1C

BDBM50301602

CC(Nc1nccc(n1)-n1cnc2ccccc12)C1CNCCN1C

BDBM50074329

CC(O)=O

BDBM50524298

CC(O)=O.CNc1nc(Nc2cnc(C#N)c(O[C@@H]3CCCNC3)c2)ncc1-c1cnn(C)c1 |r|

BDBM50092242

CC(O)c1c(-c2ccc(Oc3ccccc3)cc2)c2c(N)ncnc2n1C1CCCC1

BDBM50208911

CC1(C)C(=O)N([C@H]2CCc3c2cccc3O)c2nc(Nc3ccccc3)ncc12 |r|

BDBM50116396

CC1(C)C(=O)NC(=O)c2c1ccc1nc(Cc3c(Cl)cccc3Cl)[nH]c21

BDBM50116397

CC1(C)C(=O)NC(=O)c2c1ccc1nc(Nc3c(Br)cc(Br)cc3Br)[nH]c21

BDBM50116404

CC1(C)C(=O)NC(=O)c2c1ccc1nc(Nc3c(Cl)c(Cl)cc(Cl)c3Cl)[nH]c21

BDBM50116406

CC1(C)C(=O)NC(=O)c2c1ccc1nc(Nc3c(Cl)cc(Cl)cc3Cl)[nH]c21

BDBM50116402

CC1(C)C(=O)NC(=O)c2c1ccc1nc(Nc3c(Cl)cccc3Cl)[nH]c21

BDBM50116407

CC1(C)C(=O)NC(=O)c2c1ccc1nc(Nc3c(F)cccc3F)[nH]c21

BDBM50116412

CC1(C)C(=O)NC(=O)c2c1ccc1nc(Nc3ccc(Cl)cc3)[nH]c21

BDBM50116413

CC1(C)C(=O)NC(=O)c2c1ccc1nc(Nc3ccc(Cl)cc3Cl)[nH]c21

BDBM50116400

CC1(C)C(=O)NC(=O)c2c1ccc1nc(Nc3ccccc3Cl)[nH]c21

BDBM50378568

CC1(C)CC(CC(C)(C)N1[O])NC(=O)c1cccc(c1)-c1cc2nccc(Nc3cccc(O)c3)n2n1 |^1:10|

BDBM50157878

CC1(C)CC[C@@H](COc2cccc(c2)-c2cn([C@@H]3C[C@H](CN4CCC4)C3)c3ncnc(N)c23)O1 |r,wU:5.5,wD:17.17,19.20,(-1.8,11.77,;-1.51,10.57,;-2.39,9.7,;-.3,11.52,;.98,10.66,;.54,9.2,;1.49,7.98,;.91,6.55,;1.86,5.34,;3.38,5.56,;4.33,4.34,;3.76,2.91,;2.23,2.7,;1.29,3.91,;1.76,1.24,;2.66,.02,;1.76,-1.24,;2.24,-2.7,;3.54,-3.45,;2.74,-4.76,;3.1,-6.25,;4.58,-6.69,;5.27,-8.02,;6.62,-7.28,;5.88,-5.93,;1.42,-3.96,;.3,-.77,;-1.03,-1.55,;-2.38,-.77,;-2.38,.77,;-1.03,1.55,;-1.03,2.79,;.3,.77,;-.98,9.12,)|

BDBM50022933

CC1(C)CCc2c(C1)[nH]nc2C(=O)Nc1cnn(Cc2ccccc2)c1

BDBM50086659

CC1(C)CCc2c(C1)[nH]nc2C(=O)Nc1cnn(c1)[C@@H](C1CCCCS1(=O)=O)c1ccccc1 |r|

BDBM50086667

CC1(C)CCc2c(C1)[nH]nc2C(=O)Nc1cnn(c1)[C@@H](C1CCCS(=O)(=O)C1)c1ccccc1 |r|

BDBM50086669

CC1(C)CCc2c(C1)[nH]nc2C(=O)Nc1cnn(c1)[C@@H](C1CCS(=O)(=O)C1)c1ccccc1 |r|

BDBM50086676

CC1(C)CCc2c(C1)[nH]nc2C(=O)Nc1cnn(c1)[C@@H](C1CCS(=O)(=O)CC1)c1ccccc1 |r|

BDBM50086671

CC1(C)CCc2c(C1)[nH]nc2C(=O)Nc1cnn(c1)[C@@H](C1CC[S+]([O-])CC1)c1ccccc1 |r,wU:19.22,(6.24,-16.51,;7.44,-16.22,;7.85,-15.06,;8.94,-15.9,;10,-17.05,;9.51,-18.51,;8.01,-18.84,;6.96,-17.71,;7.86,-20.36,;9.28,-20.98,;10.28,-19.84,;11.81,-20,;12.53,-19,;12.44,-21.4,;13.97,-21.56,;14.72,-22.89,;16.23,-22.57,;16.38,-21.03,;14.97,-20.41,;17.71,-20.26,;17.71,-18.72,;19.04,-17.95,;19.04,-16.41,;17.7,-15.64,;17.7,-14.41,;16.37,-16.42,;16.38,-17.96,;19.05,-21.03,;20.38,-20.26,;21.72,-21.03,;21.72,-22.57,;20.38,-23.34,;19.05,-22.57,)|

BDBM50022930

CC1(C)CCc2c(C1)[nH]nc2C(=O)Nc1cnn(c1)[C@@H](CCS(C)(=O)=O)c1ccccc1 |r|

BDBM50086680

CC1(C)CCc2c(C1)[nH]nc2C(=O)Nc1cnn(c1)[C@@H](CS(C)(=O)=O)c1ccccc1 |r|

BDBM109884

CC1(C)CN(C(=O)CC#N)C11CCCN(C1)c1ncnc2[nH]ccc12

BDBM50354455

CC1(C)CN(CCN1)C(=O)c1ccc(Nc2nc(cn3c(cnc23)-c2cn[nH]c2)C2CC2)c(F)c1

BDBM50354432

CC1(C)CN(CCN1)C(=O)c1ccc(Nc2nc(cn3c(cnc23)-c2cn[nH]c2)C2CC2)cc1Cl

BDBM50116393

CC1(C)CNC(=O)c2c1ccc1nc(Nc3c(Cl)cccc3Cl)[nH]c21

BDBM50354416

CC1(C)CNCCN1C(=O)c1ccc(Nc2nc(cn3c(cnc23)-c2cn[nH]c2)C2CC2)c(F)c1

BDBM50354414

CC1(C)CNCCN1C(=O)c1ccc(Nc2nc(cn3c(cnc23)-c2cn[nH]c2)C2CC2)cc1Cl

BDBM50116392

CC1(C)CNCc2c1ccc1nc(Nc3c(Cl)cccc3Cl)[nH]c21

BDBM24773

CC1(C)CNc2cc(NC(=O)c3cccnc3NCc3ccncc3)ccc12

BDBM50593040

CC1(C)NC(=O)N(CCOc2ccc3C(=O)c4c(oc5cc(ccc45)C#Cc4cc(OCC5CC5)ccn4)C(C)(C)c3c2)C1=O

BDBM255303

CC1(C)OC(=O)N2C[C@@H](CC[C@@H]12)c1nc(-c2ccc(cc2)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)nccn12 |r|

BDBM50235816

CC1(C)OCC(=O)Nc2cc(Nc3nc(NCC(F)(F)F)c4occc4n3)ccc12

BDBM50064834

CC1(C)SSC[C@@H](NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](CO)NC(=O)CNC(=O)[C@H](Cc2cc(I)c(O)c(I)c2)NC(=O)[C@@H]1NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(N)=N)C(N)=O

BDBM50064853

CC1(C)SSC[C@@H](NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](CO)NC(=O)CNC(=O)[C@H](Cc2ccc(O)c(I)c2)NC(=O)[C@@H]1NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(N)=N)C(N)=O

BDBM50593045

CC1(C)c2oc3cc(ccc3c2C(=O)c2ccc(NS(C)(=O)=O)cc12)C#Cc1cc(OCC(F)(F)F)ccn1

BDBM50593044

CC1(C)c2oc3cc(ccc3c2C(=O)c2ccc(NS(C)(=O)=O)cc12)C#Cc1cc(OCC2CC2)ccn1

BDBM50593046

CC1(C)c2oc3cc(ccc3c2C(=O)c2ccc(NS(C)(=O)=O)cc12)C#Cc1cc(ccn1)C(=O)NC1CC1

BDBM50593036

CC1(C)c2oc3cc(ccc3c2C(=O)c2ccc(OCCN3C4CCC3COC4)cc12)C#Cc1cc(OCC2CC2)ccn1

BDBM50593038

CC1(C)c2oc3cc(ccc3c2C(=O)c2ccc(OCCN3CC4(COC4)C3)cc12)C#Cc1cc(OCC2CC2)ccn1

BDBM50593037

CC1(C)c2oc3cc(ccc3c2C(=O)c2ccc(OCCN3CCCOCC3)cc12)C#Cc1cc(OCC2CC2)ccn1

BDBM50593039

CC1(C)c2oc3cc(ccc3c2C(=O)c2ccc(OCCN3CCNC(=O)C3)cc12)C#Cc1cc(OCC2CC2)ccn1

BDBM50593032

CC1(C)c2oc3cc(ccc3c2C(=O)c2ccc(OCCN3CCOCC3)cc12)C#Cc1cc(OCC(F)(F)F)ccn1

BDBM50593033

CC1(C)c2oc3cc(ccc3c2C(=O)c2ccc(OCCN3CCOCC3)cc12)C#Cc1cc(OCC2(CO)CC2)ccn1

BDBM50593030

CC1(C)c2oc3cc(ccc3c2C(=O)c2ccc(OCCN3CCOCC3)cc12)C#Cc1cc(OCC2CCC2)ccn1

BDBM50593031

CC1(C)c2oc3cc(ccc3c2C(=O)c2ccc(OCCN3CCOCC3)cc12)C#Cc1cc(OCCC2CC2)ccn1

BDBM50593035

CC1(C)c2oc3cc(ccc3c2C(=O)c2ccc(OCCN3CCOCC3)cc12)C#Cc1cc(ccn1)C(=O)NC1CC1

BDBM50593042

CC1(C)c2oc3cc(ccc3c2C(=O)c2ccc(cc12)N1CC2(COC2)C1)C#Cc1cc(OCC2CC2)ccn1

BDBM50593043

CC1(C)c2oc3cc(ccc3c2C(=O)c2ccc(cc12)N1CCNC(=O)C1)C#Cc1cc(OCC2CC2)ccn1

BDBM50593041

CC1(C)c2oc3cc(ccc3c2C(=O)c2ccc(cc12)N1CCOCC1)C#Cc1cc(OCC2CC2)ccn1

BDBM370345

CC1(CC1)n1cc(C(=O)Nc2cc(Br)n[nH]2)c2c(N)ncnc12

BDBM309810

CC1(CCN(CC1)C1CC1)c1ccc(Nc2nc(cnc2C(N)=O)N2CCC[C@H](C2)N2CCN(C3CC3)C2=O)cc1 |r|

BDBM267703

CC1(COC1)C(=O)N1CCC[C@H](C1)c1nc(-c2ccc(cc2)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)nccn12 |r|

BDBM50558112

CC1(COC1)C(=O)N1CCC[C@H](C1)c1nc(-c2ccc(cc2F)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)nccn12 |r|

BDBM50593029

CC1(COc2ccnc(c2)C#Cc2ccc3c4c(oc3c2)C(C)(C)c2cc(OCCN3CCOCC3)ccc2C4=O)CC1

BDBM50022931

CC12CC1Cc1c(C2)[nH]nc1C(=O)Nc1cnn(Cc2ccccc2)c1

BDBM50086605

CC12Cc3[nH]nc(C(=O)Nc4cnn(Cc5ccccc5)c4)c3CC1C2(F)F

BDBM50129323

CC1CC1C(=O)Nc1nc2ccc(cc2s1)C(=O)Nc1c(C)cccc1C

BDBM50129315

CC1CC1C(=O)Nc1nc2ccc(cc2s1)C(=O)Nc1c(C)cccc1Cl

BDBM13249

CC1CC1C(=O)Nc1ncc(s1)C(=O)Nc1c(C)cccc1Cl

BDBM109875

CC1CCC2(CCN2C(=O)CC#N)CN1c1ncnc2[nH]ccc12

BDBM50545643

CC1CCCCN1c1ncnc2[nH]ccc12

BDBM50545642

CC1CCCN(C1)c1ncnc2[nH]ccc12

BDBM50381995

CC1CCCN(Cc2cc(Nc3nc(C)cn4c(cnc34)-c3cnn(CC(=O)NCc4cccs4)c3)sn2)C1

BDBM50381997

CC1CCCN(Cc2cc(Nc3nc(C)cn4c(cnc34)-c3cnn(CC(=O)Nc4ccncc4)c3)sn2)C1

BDBM50381998

CC1CCCN(Cc2cc(Nc3nc(C)cn4c(cnc34)-c3cnn(CC(=O)Nc4ccncc4F)c3)sn2)C1

BDBM50545632

CC1CCCN1c1nc(Nc2ccc(cc2)C(N)=O)ncc1C(F)(F)F

BDBM50545640

CC1CCCN1c1ncnc2[nH]ccc12

BDBM50545630

CC1CCN(C1)c1nc(Nc2ccc(cc2)C(N)=O)ncc1C(F)(F)F

BDBM50545639

CC1CCN(C1)c1ncnc2[nH]ccc12

BDBM50545641

CC1CCN(CC1)c1ncnc2[nH]ccc12

BDBM109863

CC1CN(C(=O)CC#N)C11CCCN(C1)c1ncnc2[nH]ccc12

BDBM109868

CC1CN(C(=O)CC#N)C11CCN(C1)c1ncnc2[nH]ccc12

BDBM50120118

CC1CN(CC(C)N1)c1ccc2c(c1)nc(Nc1c(C)cccc1Cl)c1cncn21

BDBM50120089

CC1CN(CC(C)N1)c1ccc2nc(Nc3c(C)cccc3Cl)c3cncn3c2c1

BDBM109873

CC1CN(CC2(CCN2C(=O)CC#N)C1)c1ncnc2[nH]ccc12

BDBM610463

CC1CN(CCO1)c1ccncc1NC(=O)c1ccnn2cc(nc12)-c1ccccc1

BDBM340145

CCC#CC(=O)N1CCC[C@H]1c1nc(-c2ccc(cc2)C(=O)Nc2ccccn2)c2c(N)nccn12 |r|

BDBM50020450

CCC(=O)N(C(=O)CC)c1cccc(Nc2ncc(NC(=O)c3cc(NC(=O)c4cccc(c4)C(F)(F)F)ccc3C)cn2)c1

BDBM309800

CCC(=O)N1CCC(C)(CC1)c1ccc(Nc2nc(cnc2C(N)=O)N2CCC[C@H](C2)N2CCN(C)C2=O)cc1 |r|

BDBM309786

CCC(=O)N1CCC(C)(CC1)c1ccc(Nc2nc(cnc2C(N)=O)N2CCC[C@H]([C@H]2C)N2CCN(C)C2=O)cc1 |r|

BDBM309758

CCC(=O)N1CCC(CC1)c1ccc(Nc2nc(cnc2C(N)=O)N2CCC[C@H](C2)N(C)C(=O)N(C)C)cc1 |r|

BDBM309683

CCC(=O)N1CCC(CC1)c1ccc(Nc2nc(cnc2C(N)=O)N2CCC[C@H](C2)NC(=O)N(C)C)cc1 |r|

BDBM309671

CCC(=O)N1CCC(CC1)c1ccc(Nc2nc(cnc2C(N)=O)N2CCC[C@H](C2)NC(=O)c2ccc(OC)cc2)cc1 |r|

BDBM309870

CCC(=O)N1CCC(CC1)c1ccc(Nc2nc(nnc2C(N)=O)N2CCC[C@H](C2)NC(=O)N2CCCCC2)cc1 |r|

BDBM309827

CCC(=O)N[C@@H]1CCCN(C1)c1cnc(C(N)=O)c(Nc2ccc(cc2)C2CCN(CC2)C2CCCC2)n1 |r|

BDBM309861

CCC(=O)N[C@@H]1CCCN(C1)c1nnc(C(N)=O)c(Nc2ccc(cc2)C2CCN(CC2)C2CCCC2)n1 |r|

BDBM50020448

CCC(=O)Nc1cccc(Nc2ncc(NC(=O)c3cc(NC(=O)c4cccc(c4)C(F)(F)F)ccc3C)cn2)c1

BDBM13247

CCC(=O)Nc1ncc(s1)C(=O)Nc1c(C)cccc1Cl

BDBM50129301

CCC(C)(C)NC(=O)Nc1nc2ccc(cc2s1)C(=O)Nc1c(C)cccc1C

BDBM50129332

CCC(C)(C)NC(=O)Nc1nc2ccc(cc2s1)C(=O)Nc1c(C)cccc1Cl

BDBM50129358

CCC(NC(=O)Nc1nc2ccc(cc2s1)C(=O)Nc1c(C)cccc1Cl)c1ccccc1

BDBM50381093

CCC(O)(CC)c1cc(OCCN2CCOCC2)c2cc([nH]c2c1)-c1n[nH]c2ccsc12

BDBM50381091

CCC(O)(CC)c1ccc2c(c([nH]c2c1)-c1n[nH]c2ccsc12)-c1ccc(OC)cc1

BDBM50381097

CCC(O)(CC)c1ccc2cc([nH]c2c1)-c1n[nH]c2cc(sc12)-c1ccccc1

BDBM50381096

CCC(O)(CC)c1ccc2cc([nH]c2c1)-c1n[nH]c2cc(sc12)C(F)F

BDBM50381094

CCC(O)(CC)c1ccc2cc([nH]c2c1)-c1n[nH]c2ccsc12

BDBM50116411

CCC1(CC)C(=O)NC(=O)c2c1ccc1nc(Nc3c(Cl)cccc3Cl)[nH]c21

BDBM340147

CCCC#CC(=O)N1CCC[C@H]1c1nc(-c2ccc(cc2)C(=O)Nc2ccccn2)c2c(N)nccn12 |r|

BDBM50066509

CCCCC(NC(=O)C(N)Cc1ccc(OP(=O)(OC(C)=O)OC(C)=O)cc1)C(=O)NC(CC(=O)NCCCc1cccc2ccccc12)C(O)=O

BDBM50301606

CCCCCCN1CCN(C[C@H]1[C@H](C)Nc1nccc(n1)-n1cnc2ccccc12)C(=O)Nc1cccc2ccccc12 |r|

BDBM50112916

CCCCCCNc1nc2ccccc2n2cncc12

BDBM50112969

CCCCCNC(=O)[C@@H]1CCCN2N1C(=O)[C@H](CCC2=O)NC(=O)[C@H](Cc1ccc(OP(O)(O)=O)cc1)NC(C)=O

BDBM13242

CCCCNC(=O)Nc1nc(C)c(s1)C(=O)Nc1c(C)cc(C)cc1C

BDBM13245

CCCCNC(=O)Nc1nc(C)c(s1)C(=O)Nc1c(C)cccc1Cl

BDBM50129341

CCCCNC(=O)Nc1nc2ccc(cc2s1)C(=O)Nc1c(C)cc(C)cc1C

BDBM50112981

CCCCNC(=O)[C@@H]1CCCN2N1C(=O)[C@H](CCC2=O)NC(=O)[C@H](Cc1ccc(OP(O)(O)=O)cc1)NC(C)=O

BDBM50374610

CCCCOc1ccc(cc1)-n1c2nc3ccccc3n2c2nc(Nc3ccc(cc3)N3CCN(C)CC3)ncc2c1=O

BDBM50428741

CCCCn1c(cn2c1nc1n(C)c(=O)[nH]c(=O)c21)-c1cc(ccc1C)-c1cccc2[nH]ncc12

BDBM50428742

CCCCn1c(cn2c1nc1n(C)c(=O)[nH]c(=O)c21)-c1ccc(F)cc1C

BDBM50428743

CCCCn1c(cn2c1nc1n(C)c(=O)[nH]c(=O)c21)-c1ccccc1C

BDBM50080276

CCCN(CCC)C(=O)c1ccccc1C(O)=O

BDBM50112976

CCCNC(=O)[C@@H]1CCCN2N1C(=O)[C@H](CCC2=O)NC(=O)[C@H](Cc1ccc(OP(O)(O)=O)cc1)NC(C)=O

BDBM50235830

CCCNC(=O)c1ccc(Nc2nc(NCC(F)(F)F)c3cc[nH]c3n2)cc1

BDBM50376009

CCCNC(=O)c1cccc2cc(Oc3ccnc4cc(OC)c(OC)cc34)ccc12

BDBM50112932

CCCNc1nc2ccccc2n2cncc12

BDBM50236480

CCCNc1ncc(s1)C(=O)Nc1cc(ccc1C)C(=O)NC

BDBM50236476

CCCNc1ncc(s1)C(=O)Nc1cc(ccc1C)C(=O)NCC

BDBM309619

CCCOc1ccc(cc1)C(=O)N[C@@H]1CCCN(C1)c1nnc(C(N)=O)c(Nc2ccc(cc2)C(=O)N2CCOCC2)n1 |r|

BDBM25617

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

BDBM50593051

CCCc1cc(cc(n1)C#Cc1ccc2c3c(oc2c1)C(C)(C)c1cc(NS(C)(=O)=O)ccc1C3=O)C(=O)NC(C)(C)C

BDBM340073

CCCc1ccnc(NC(=O)c2ccc(-c3nc([C@@H]4CCCN4C(=O)\C=C\COC)n4ccnc(N)c34)c(C)c2)c1 |r|

BDBM340162

CCCc1ccnc(NC(=O)c2ccc(cc2)-c2nc([C@@H]3CCCCN3C(=O)C#CC)n3ccnc(N)c23)c1 |r|

BDBM340159

CCCc1ccnc(NC(=O)c2ccc(cc2)-c2nc([C@@H]3CCCCN3C(=O)C=C)n3ccnc(N)c23)c1 |r|

BDBM340184

CCCc1ccnc(NC(=O)c2ccc(cc2)-c2nc([C@@H]3CCCCN3C(=O)\C=C\COC)n3ccnc(N)c23)c1 |r|

BDBM340174

CCCc1ccnc(NC(=O)c2ccc(cc2)-c2nc([C@@H]3CCCCN3C(=O)c3ccnc(Cl)n3)n3ccnc(N)c23)c1 |r|

BDBM340158

CCCc1ccnc(NC(=O)c2ccc(cc2)-c2nc([C@@H]3CCCCN3S(=O)(=O)C=C)n3ccnc(N)c23)c1 |r|

BDBM340156

CCCc1ccnc(NC(=O)c2ccc(cc2)-c2nc([C@@H]3CCCN3C(=O)C#CC)n3ccnc(N)c23)c1 |r|

BDBM340188

CCCc1ccnc(NC(=O)c2ccc(cc2)-c2nc([C@@H]3CCCN3C(=O)C=C)n3ccnc(N)c23)c1 |r|

BDBM340168

CCCc1ccnc(NC(=O)c2ccc(cc2)-c2nc([C@@H]3CCCN3C(=O)\C=C\CN3CCCC3)n3ccnc(N)c23)c1 |r|

BDBM340122

CCCc1ccnc(NC(=O)c2ccc(cc2)-c2nc([C@@H]3CCCN3C(=O)\C=C\COC)n3ccnc(N)c23)c1 |r|

BDBM340170

CCCc1ccnc(NC(=O)c2ccc(cc2)-c2nc([C@@H]3CCCN3C(=O)c3ccnc(Cl)n3)n3ccnc(N)c23)c1 |r|

BDBM340115

CCCc1ccnc(NC(=O)c2ccc(cc2)-c2nc([C@H](C)N(C)C(=O)C#CC)n3ccnc(N)c23)c1 |r|

BDBM340167

CCCc1ccnc(NC(=O)c2ccc(cc2)-c2nc([C@H](C)N(C)C(=O)\C=C\CN(C)C)n3ccnc(N)c23)c1 |r|

BDBM340157

CCCc1ccnc(NC(=O)c2ccc(cc2)-c2nc([C@H](C)N(C)C(=O)\C=C\COC)n3ccnc(N)c23)c1 |r|

BDBM340165

CCCc1ccnc(NC(=O)c2ccc(cc2F)-c2nc([C@@H]3CCCCN3C(=O)C#CC)n3ccnc(N)c23)c1 |r|

BDBM340137

CCCc1ccnc(NC(=O)c2ccc(cc2F)-c2nc([C@@H]3CCCCN3C(=O)C=C)n3ccnc(N)c23)c1 |r|

BDBM340116

CCCc1ccnc(NC(=O)c2ccc(cc2F)-c2nc([C@@H]3CCCCN3C(=O)\C=C\COC)n3ccnc(N)c23)c1 |r|

BDBM340177

CCCc1ccnc(NC(=O)c2ccc(cc2OC)-c2nc([C@@H]3CCCCN3C(=O)C#CC)n3ccnc(N)c23)c1 |r|

BDBM340138

CCCc1ccnc(NC(=O)c2ccc(cc2OC)-c2nc([C@@H]3CCCCN3C(=O)\C=C\CN(C)C)n3ccnc(N)c23)c1 |r|

BDBM340178

CCCc1ccnc(NC(=O)c2ccc(cc2OC)-c2nc([C@@H]3CCCCN3C(=O)\C=C\COC)n3ccnc(N)c23)c1 |r|

BDBM50145868

CCCc1nc2ccccc2n2cncc12

BDBM309634

CCCn1nnc2cc(ccc12)C(=O)N[C@@H]1CCCN(C1)c1nnc(C(N)=O)c(Nc2ccc(cc2)C(=O)N2CCOCC2)n1 |r|

BDBM309697

CCN(C)C(=O)N[C@@H]1CCCN(C1)c1cnc(C(N)=O)c(Nc2ccc(cc2)C2CCN(C)CC2)n1 |r|

BDBM309698

CCN(CC)C(=O)N[C@@H]1CCCN(C1)c1cnc(C(N)=O)c(Nc2ccc(cc2)C2CCN(C)CC2)n1 |r|

BDBM309630

CCN(CC)C(=O)N[C@@H]1CCCN(C1)c1nnc(C(N)=O)c(Nc2ccc(cc2)C(=O)N2CCOCC2)n1 |r|

BDBM50194683

CCN(CC)CC(=O)Nc1ccc(cc1NC(=O)c1ccc(C)c(c1)-c1ccc2nc(NC)ncc2c1)C(F)(F)F

BDBM50126732

CCN(CC)CC=Cc1[nH]c(=O)c2c3n(C)c(Nc4c(Cl)cccc4Cl)nc3ccc2c1C |w:6.5|

BDBM50263476

CCN(CC)CCCCNc1cc(ncn1)-n1c(Nc2c(C)cccc2Cl)nc2ccccc12

BDBM50311932

CCN(CC)CCCCNc1cc(ncn1)-n1c(Nc2cc(NC(=O)c3cccc(c3)C(F)(F)F)ccc2C)nc2ccccc12

BDBM50311891

CCN(CC)CCCCNc1cc(ncn1)-n1c(Nc2cc(ccc2C)C(=O)Nc2cccc(C)c2)nc2ccccc12

BDBM50311910

CCN(CC)CCCCNc1cc(ncn1)-n1c(Nc2cc(ccc2C)C(=O)Nc2cccc(c2)C(F)(F)F)nc2ccccc12

BDBM4814

CCN(CC)CCNC(=O)c1c(C)[nH]c(\C=C2/C(=O)Nc3ccc(F)cc23)c1C

BDBM50195334

CCN(CC)CCNc1cc(Nc2cc(O)ccc2C)nc(n1)-n1cnc2ccccc12

BDBM50311930

CCN(CC)CCNc1cc(ncn1)-n1c(Nc2cc(NC(=O)c3cccc(c3)C(F)(F)F)ccc2C)nc2ccccc12

BDBM50186536

CCN(CC)CCNc1cc(ncn1)N(C)C(=O)Nc1c(Cl)cccc1Cl

BDBM50186537

CCN(CC)CCOc1ccc(Nc2cc(ncn2)N(C)C(=O)Nc2c(C)cccc2Cl)cc1

BDBM50186567

CCN(CC)CCOc1ccc(Nc2cc(ncn2)N(C)C(=O)Nc2c(Cl)cccc2C(F)(F)F)cc1

BDBM50186538

CCN(CC)CCOc1ccc(Nc2cc(ncn2)N(C)C(=O)Nc2c(Cl)cccc2Cl)cc1

BDBM50186565

CCN(CC)CCOc1ccc(Nc2cc(ncn2)N(C)C(=O)Nc2c(F)cccc2F)cc1

BDBM50186546

CCN(CC)CCOc1ccc(Nc2cc(ncn2)N(C)C(=O)Nc2cc(NC(=O)c3cc4ccccc4n3C)ccc2C)cc1

BDBM50186541

CCN(CC)CCOc1ccc(Nc2cc(ncn2)N(C)C(=O)Nc2cc(NC(=O)c3cc4ccccc4s3)ccc2C)cc1

BDBM50186557

CCN(CC)CCOc1ccc(Nc2cc(ncn2)N(C)C(=O)Nc2cc(NC(=O)c3cccc(c3)C(F)(F)F)ccc2C)cc1

BDBM50186560

CCN(CC)CCOc1ccc(Nc2cc(ncn2)N(C)C(=O)Nc2cc(O)ccc2C)cc1

BDBM50186561

CCN(CC)CCOc1ccc(Nc2cc(ncn2)N(C)C(=O)Nc2cc(OC)ccc2C)cc1

BDBM50186566

CCN(CC)CCOc1ccc(Nc2cc(ncn2)N(C)C(=O)Nc2cc(ccc2C)C(=O)Nc2cc(on2)C(C)(C)C)cc1

BDBM50186558

CCN(CC)CCOc1ccc(Nc2cc(ncn2)N(C)C(=O)Nc2cc(ccc2C)C(=O)Nc2cccc(c2)C(F)(F)F)cc1

BDBM50186544

CCN(CC)CCOc1ccc(Nc2cc(ncn2)N(C)C(=O)Nc2ccccc2OC)cc1

BDBM50186543

CCN(CC)CCOc1ccc(Nc2cc(ncn2)N(CCCN(C)C)C(=O)Nc2c(Cl)cccc2Cl)cc1

BDBM50188343

CCN(CC)CCOc1ccc(Nc2ncc3C=C(N4N(CCC4=O)c3n2)c2c(Cl)cccc2Cl)cc1 |c:17|

BDBM50341376

CCN(CC)CCOc1ccc(Nc2ncc3CN(C(=O)N(C)c3n2)c2c(Cl)cccc2Cl)cc1

BDBM50186547

CCN(CC)CCOc1ccc(cc1)N(C(=O)Nc1c(Cl)cccc1Cl)c1cc(NC)ncn1

BDBM50202750

CCN(CC)C\C=C/c1cnc(N)c2c(csc12)-c1ccc(NC(=O)c2cc3ccccc3n2C)c(OC)c1

BDBM50202734

CCN(CC)C\C=C\c1cnc(N)c2c(csc12)-c1ccc(NC(=O)c2cc3ccccc3n2C)c(OC)c1

BDBM50186555

CCN(CC)c1ccc(Nc2cc(ncn2)N(C)C(=O)Nc2ccccc2Cl)cc1

BDBM50186553

CCN(CC)c1ccc(Nc2cc(ncn2)N(CCCN(C)C)C(=O)Nc2c(C)cccc2Cl)cc1

BDBM50186564

CCN(CC)c1ccc(Nc2cc(ncn2)N(CCCN(C)C)C(=O)Nc2ccccc2Cl)cc1

BDBM50186563

CCN(CC)c1ccc(Nc2cc(ncn2)N(Cc2ccc(cc2)N(C)C)C(=O)Nc2ccccc2Cl)cc1

BDBM50186559

CCN(CC)c1ccc(Nc2cc(ncn2)N(Cc2ccccc2)C(=O)Nc2ccccc2Cl)cc1

BDBM50188347

CCN(CC)c1ccc(Nc2ncc3C=C(N4N(CCC4=O)c3n2)c2c(Cl)cccc2Cl)cc1 |c:14|

BDBM50120134

CCN(CC)c1ccc2c(c1)nc(Nc1c(C)cccc1Cl)c1cncn21

BDBM50120090

CCN(CC)c1ccc2nc(Nc3c(C)cccc3Cl)c3cncn3c2c1

BDBM50145914

CCN(CC)c1cccc2c1nc(Nc1c(C)cccc1Cl)c1cncn21

BDBM26300

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

BDBM50460767

CCN(CCO)Cc1cc(Nc2nc(C)cn3c(cnc23)-c2cn[nH]c2)sn1

BDBM6571

CCN(CCOc1ccc(Nc2ncc3cc(-c4c(Cl)cccc4Cl)c(=O)n(C)c3n2)cc1)C(C)=O |(-17.51,3.4,;-16.18,4.17,;-14.85,3.4,;-13.51,4.17,;-12.18,3.4,;-10.84,4.17,;-9.51,3.4,;-9.51,1.86,;-8.18,1.08,;-6.84,1.86,;-5.51,1.08,;-4.18,1.85,;-4.18,3.39,;-2.84,4.16,;-1.51,3.4,;-.18,4.17,;1.16,3.4,;2.49,4.17,;2.49,5.71,;1.16,6.48,;3.83,6.48,;5.16,5.71,;5.16,4.17,;3.83,3.39,;3.83,1.85,;1.16,1.86,;2.49,1.09,;-.18,1.09,;-.18,-.45,;-1.51,1.86,;-2.84,1.08,;-6.84,3.4,;-8.18,4.17,;-14.85,1.86,;-13.51,1.09,;-16.18,1.09,)|

BDBM50329198

CCN(Cc1cc(Nc2nc(C)cn3c(cnc23)-c2cn[nH]c2)sn1)C(C)(C)CO

BDBM309738

CCN1CCC(CC1)c1ccc(Nc2nc(cnc2C(N)=O)N2CCC[C@H](C2)NC(=O)N(C)C)cc1 |r|

BDBM309663

CCN1CCC(CC1)c1ccc(Nc2nc(cnc2C(N)=O)N2CCC[C@H](C2)NC(=O)c2ccc(OC)cc2)cc1 |r|

BDBM50319571

CCN1CCC(CNc2nccc(n2)-c2cccnc2Oc2ccc(Nc3nc4ccccc4[nH]3)c3ccccc23)CC1

BDBM50301618

CCN1CCN(C1=O)c1ccc2n(cnc2c1)-c1ccnc(N[C@@H](C)[C@@H]2CN(CCN2C)C(=O)Nc2cccc3ccccc23)n1 |r|

BDBM50301617

CCN1CCN(C1=O)c1ccc2n(cnc2c1)-c1ccnc(N[C@@H](C)c2ccccc2)n1 |r|

BDBM50026673

CCN1CCN(CC(=O)Nc2cc(Oc3ccc4n(C)c(Nc5cc(ccc5F)C(F)(F)F)nc4c3)ccn2)CC1

BDBM50204583

CCN1CCN(CC1)C(=O)c1ccc(cc1)-c1oc2ncnc(NC[C@@H]3CCCO3)c2c1-c1ccccc1

BDBM50311927

CCN1CCN(CC1)c1cc(cc(c1)C(F)(F)F)C(=O)Nc1ccc(C)c(Nc2nc3ccccc3n2-c2cc(N)ncn2)c1

BDBM50355393

CCN1CCN(CC1)c1ccc(Nc2cc(ncn2)N(C)C(=O)Nc2c(Cl)c(OC)cc(OC)c2Cl)cc1

BDBM50577169

CCN1CCN(CC1)c1ccc(Nc2ncc3scc(-c4cccc(NS(C)(=O)=O)c4)c3n2)cc1

BDBM50120087

CCN1CCN(CC1)c1ccc2nc(Nc3c(C)cccc3Cl)c3cncn3c2c1

BDBM50301604

CCN1CCN(C[C@H]1[C@H](C)Nc1nccc(n1)-n1cnc2ccccc12)C(=O)Nc1cccc2ccccc12 |r|

BDBM31085

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

BDBM50311924

CCN1CCN(Cc2ccc(cc2Cl)C(=O)Nc2ccc(C)c(Nc3nc4ccccc4n3-c3cc(N)ncn3)c2)CC1

BDBM309807

CCN1CCN([C@@H]2CCCN(C2)c2cnc(C(N)=O)c(Nc3ccc(cc3)C3(C)CCN(CC3)C3CC3)n2)C1=O |r|

BDBM309806

CCN1CCN([C@@H]2CCCN(C2)c2cnc(C(N)=O)c(Nc3ccc(cc3)C3CCN(CC3)C3CCCC3)n2)C1=O |r|

BDBM50126740

CCNC(=O)Cc1c(C)[nH]c(=O)c2c3n(C)c(Nc4c(Cl)cccc4Cl)nc3ccc12

BDBM50375676

CCNC(=O)N1CCOc2cc(Oc3ccnc4cc(OC)c(OC)cc34)ccc12

BDBM50319570

CCNC(=O)Nc1ccc(Oc2ncccc2-c2ccnc(NC)n2)c2ccccc12

BDBM50112965

CCNC(=O)[C@@H]1CCCN2N1C(=O)[C@H](CCC2=O)NC(=O)[C@H](Cc1ccc(OP(O)(O)=O)cc1)NC(C)=O

BDBM50236474

CCNC(=O)c1ccc(C)c(NC(=O)c2cnc(NC(C)C)s2)c1

BDBM50376010

CCNC(=O)c1cccc2cc(Oc3ccnc4cc(OC)c(OC)cc34)ccc12

BDBM50112927

CCNC(=O)c1ncc2c(Nc3c(C)cccc3Cl)nc3c(OC)c(OC)ccc3n12

BDBM50126751

CCNCC=Cc1[nH]c(=O)c2c3n(C)c(Nc4c(Cl)cccc4Cl)nc3ccc2c1C |w:4.3|

BDBM50120124

CCNc1ccc2nc(Nc3c(C)cccc3Cl)c3cncn3c2c1

BDBM50145937

CCNc1cccc2c1nc(Nc1c(C)cccc1Cl)c1cncn21

BDBM50020440

CCNc1ncc(NC(=O)c2cc(NC(=O)c3cccc(c3)C(F)(F)F)ccc2C)cn1

BDBM50080277

CCOC(=O)C(Cc1ccc(OP(O)(O)=O)cc1)NC(C)=O

BDBM309675

CCOC(=O)C1CCN(CC1)c1ccc(Nc2nc(cnc2C#N)N2CCC[C@H](C2)NC(=O)c2ccc(OC)cc2)cc1 |r|

BDBM50209156

CCOC(=O)CC(=O)Nc1cccc-2c1Cc1c-2n[nH]c1-c1csc(c1)C#CCOc1ccccc1

BDBM50011462

CCOC(=O)CC(=O)c1c(O)cc(OCc2ccccc2)cc1OCc1ccccc1

BDBM50011415

CCOC(=O)CC(=O)c1ccccc1O

BDBM50137570

CCOC(=O)CN1CCN(CCCc2c3CCCCc3[nH]c2\C=C2/C(=O)Nc3ccc(cc23)S(=O)(=O)NC)CC1

BDBM50301608

CCOC(=O)CN1CCN(C[C@H]1[C@H](C)Nc1nccc(n1)-n1cnc2ccccc12)C(=O)Nc1cccc2ccccc12 |r|

BDBM50126741

CCOC(=O)Cc1c(C)[nH]c(=O)c2c3n(C)c(Nc4c(Cl)cccc4Cl)nc3ccc12

BDBM309829

CCOC(=O)N[C@@H]1CCCN(C1)c1cnc(C(N)=O)c(Nc2ccc(cc2)C2CCN(CC2)C2CCCC2)n1 |r|

BDBM50260945

CCOC(=O)c1ccc(cc1)-n1ccc(C)c(-c2ccc3nc(N)ncc3c2)c1=O

BDBM50294451

CCOC(=O)c1cnn2c(ccnc12)-c1cccc(NC(=O)c2cccc(c2)C(F)(F)F)c1

BDBM309644

CCOCCOc1ccc(Nc2nc(cnc2C(N)=O)N2CCC[C@H](C2)NC(=O)c2ccc(OC)cc2)cc1 |r|

BDBM50354456

CCOc1cc(Nc2nc(C)cn3c(cnc23)-c2cn[nH]c2)sc1C(=O)N1CCCC(C)C1

BDBM31090

CCOc1cc2ncc(C#N)c(Nc3ccc(F)c(Cl)c3)c2cc1NC(=O)\C=C\CN(C)C

BDBM50161957

CCOc1cc2ncc(C#N)c(Nc3ccc(OCc4ccccn4)c(Cl)c3)c2cc1NC(=O)\C=C\CN(C)C

BDBM309642

CCOc1ccc(Nc2nc(cnc2C(N)=O)N2CCC[C@H](C2)NC(=O)c2ccc(OC)cc2)cc1 |r|

BDBM309645

CCOc1ccc(Nc2nc(cnc2C(N)=O)N2CCC[C@H](C2)NC(=O)c2ccc(OC)cc2)cn1 |r|

BDBM50188354

CCOc1ccc(Nc2ncc3C=C(N4N(CCC4=O)c3n2)c2c(Cl)cccc2Cl)cc1 |c:12|

BDBM6570

CCOc1ccc(Nc2ncc3cc(-c4c(Cl)cccc4Cl)c(=O)n(C)c3n2)cc1 |(-13.51,4.17,;-12.18,3.4,;-10.84,4.17,;-9.51,3.4,;-9.51,1.86,;-8.18,1.08,;-6.84,1.86,;-5.51,1.08,;-4.18,1.85,;-4.18,3.39,;-2.84,4.16,;-1.51,3.4,;-.18,4.17,;1.16,3.4,;2.49,4.17,;2.49,5.71,;1.16,6.48,;3.83,6.48,;5.16,5.71,;5.16,4.17,;3.83,3.39,;3.83,1.85,;1.16,1.86,;2.49,1.09,;-.18,1.09,;-.18,-.45,;-1.51,1.86,;-2.84,1.08,;-6.84,3.4,;-8.18,4.17,)|

BDBM309873

CCOc1ccc(cc1)C(=O)N[C@@H]1CCCN(C1)c1nnc(C(N)=O)c(Nc2ccc(cc2)C(=N)N(C)C)n1 |r|

BDBM309874

CCOc1ccc(cc1)C(=O)N[C@@H]1CCCN(C1)c1nnc(C(N)=O)c(Nc2ccc(cc2)C(=N)N2CCCC2)n1 |r|

BDBM309618

CCOc1ccc(cc1)C(=O)N[C@@H]1CCCN(C1)c1nnc(C(N)=O)c(Nc2ccc(cc2)C(=O)N2CCOCC2)n1 |r|

BDBM309875

CCOc1ccc(cc1)C(=O)N[C@@H]1CCCN(C1)c1nnc(C(N)=O)c(Nc2ccc(cc2)C2=NCCN2C)n1 |r,t:36|

BDBM309690

CCOc1ccc(cc1)C(=O)N[C@@H]1CCCN(C1)c1nnc(C(N)=O)c(Nc2ccc(cc2)[N+]#[C-])n1 |r|

BDBM50345740

CCOc1ccc2cc(ccc2c1)-c1nn(C(C)C)c2ncnc(N)c12

BDBM50389703

CCOc1ccc2cc(ccc2c1)-c1nn(C2CCN(C)CC2)c2ncnc(N)c12

BDBM50389704

CCOc1ccc2cc(ccc2c1)-c1nn(CC2CCN(C)CC2)c2ncnc(N)c12

BDBM50383381

CCOc1ccc2cc(ccc2c1)-c1nn(CC2CCNCC2)c2ncnc(N)c12

BDBM50389684

CCOc1ccc2cc(ccc2n1)-c1nn(CC2CCNCC2)c2ncnc(N)c12

BDBM444477

CCOc1cccc(Oc2ccc(cc2)C(O)c2cncc(F)c2Cl)c1F

BDBM50245904

CCOc1ccccc1Oc1nc(Nc2ccc(cc2)N2CCNCC2)ncc1C(=O)Nc1c(C)cccc1C

BDBM50201641

CCS(=O)(=O)c1cc(Nc2ncc(F)c(n2)N(Cc2ccccc2C#N)c2cc(CO)ccc2C)ccc1N1CCN(C)CC1

BDBM50137584

CCS(=O)(=O)c1ccc2NC(=O)\C(=C/c3[nH]c4CCCCc4c3CCCN(C)C)c2c1

BDBM50137581

CCS(=O)(=O)c1ccc2NC(=O)\C(=C/c3[nH]c4CCCCc4c3CCCN3CCC(O)CC3)c2c1

BDBM50137572

CCS(=O)(=O)c1ccc2NC(=O)\C(=C/c3[nH]c4CCCCc4c3CCCN3CCN(C)CC3)c2c1

BDBM50137578

CCS(=O)(=O)c1ccc2NC(=O)\C(=C/c3[nH]c4CCCCc4c3CCCN3CCN(CC(O)=O)CC3)c2c1

BDBM50137591

CCS(=O)(=O)c1ccc2NC(=O)\C(=C/c3[nH]c4CCCCc4c3CCCN3CCN(CCO)CC3)c2c1

BDBM50137585

CCS(=O)(=O)c1ccc2NC(=O)\C(=C/c3[nH]c4CCCCc4c3CN3CCOCC3)c2c1

BDBM50112971

CC[C@@H](C)CNC(=O)[C@@H]1CCCN2N1C(=O)[C@H](CCC2=O)NC(=O)[C@H](Cc1ccc(OP(O)(O)=O)cc1)NC(C)=O

BDBM50236473

CC[C@@H](C)Nc1ncc(s1)C(=O)Nc1cc(ccc1C)C(=O)NC

BDBM50366781

CC[C@@H](C)[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](Cc1ccc(OP(O)(O)=O)cc1)NC(C)=O)C(=O)NC

BDBM309767

CC[C@@H]1[C@@H](CCCN1c1cnc(C(N)=O)c(Nc2ccc(cc2)C2CCN(CC2)C2CCC2)n1)NC(=O)N(C)C |r|

BDBM50236483

CC[C@H](C)Nc1ncc(s1)C(=O)Nc1cc(ccc1C)C(=O)NC

BDBM50112964

CC[C@H](C)[C@H](NC(=O)[C@@H]1CCCN2N1C(=O)[C@H](CCC2=O)NC(=O)[C@H](Cc1ccc(OP(O)(O)=O)cc1)NC(C)=O)C(=O)NC

BDBM50118658

CC[C@H](C)[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(C)=O)C(=O)N[C@@H](CCC(O)=O)C(O)=O

BDBM50118656

CC[C@H](C)[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)C(Cc1ccc(O)c(O)c1)NOC(=O)Cc1ccc(O)c2cc(O)ccc12)C(=O)N[C@@H](CCC(O)=O)C(O)=O

BDBM50369429

CC[C@H](C)[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](Cc1ccc(CC(O)=O)cc1)NC(C)=O)C(O)=O

BDBM50118654

CC[C@H](C)[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](Cc1ccc(O)c(O)c1)NC(=O)\C=C\c1ccc(O)c(O)c1)C(=O)N[C@@H](CCC(O)=O)C(O)=O

BDBM50369796

CC[C@H](C)[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(C)=O)C(N)=O

BDBM50118659

CC[C@H](C)[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)\C=C\c1ccc(O)c(O)c1)C(=O)N[C@@H](CCC(O)=O)C(O)=O

BDBM50118653

CC[C@H](C)[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(C)=O)C(=O)N[C@@H](CCC(O)=O)C(O)=O

BDBM50118655

CC[C@H](C)[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](Cc1ccc(OP(O)(O)=O)cc1)N=CCc1ccc(O)c(O)c1)C(=O)N[C@@H](CCC(O)=O)C(O)=O |w:40.41|

BDBM50112972

CC[C@H](C)[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](Cc1ccc(OP(O)(O)=O)cc1)NC(C)=O)C(=O)N1CCC[C@@H]1C(=O)NC

BDBM50060735

CC[C@H](C)[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](Cc1ccc(OP(O)(O)=O)cc1)NC(C)=O)C(=O)N[C@@H](CCC(O)=O)C(O)=O

BDBM50074242

CC[C@H](C)[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](Cc1ccc(OP(O)(O)=O)cc1)NC(C)=O)C(O)=O

BDBM50118660

CC[C@H](C)[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](Cc1ccc(OP(O)(O)=O)cc1)NOC(=O)Cc1cc(=O)oc2cc(O)ccc12)C(=O)N[C@@H](CCC(O)=O)C(O)=O

BDBM50112966

CC[C@H](C)[C@H](NC(=O)[C@H]1CCCN1C(=O)[C@@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](Cc1ccc(OP(O)(O)=O)cc1)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCC(O)=O)[C@@H](C)CC)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(O)=O

BDBM7533

CC[C@H](CO)Nc1nc(NCc2ccccc2)c2ncn(C(C)C)c2n1 |r|

BDBM50083639

CC[C@H]1CN(CCN1)c1ccc(cn1)-c1ccnc(Nc2cc(OC)c(OC)c(OC)c2)n1

BDBM25121

CC[C@H]1N(C2CCCC2)c2nc(Nc3ccc(cc3OC)C(=O)NC3CCN(C)CC3)ncc2N(C)C1=O |r|

BDBM50299083

CC[S@](=O)c1ccc(cc1)-c1coc2ccc(cc12)-c1ccc(C)o1 |r|

BDBM50126757

CCc1[nH]c(=O)c2c3n(C)c(Nc4c(Cl)cccc4Cl)nc3ccc2c1C

BDBM50503096

CCc1cc(NC(=O)c2nn(C3CCN(CC3)C(=O)NC(C)(C)C)c3ccccc23)ccc1-c1cc(C)c(=O)[nH]n1

BDBM50503107

CCc1cc(NC(=O)c2nn(C3CCN(CC3)C(=O)NC(C)(C)C)c3ccccc23)ccc1-c1n[nH]c(=O)c(C)c1C

BDBM50503104

CCc1cc(NC(=O)c2nn(C3CCN(CC3)C(=O)NC(C)(C)C)c3ccccc23)ccc1-c1n[nH]c(=O)cc1C

BDBM370353

CCc1cc(NC(=O)c2nn(c3ncnc(N)c23)C(C)(C)C)[nH]n1

BDBM50131156

CCc1cc(Nc2nc3ccc(cc3s2)C(=O)Nc2c(C)cc(C)cc2C)ncn1

BDBM50131171

CCc1cc(Nc2nc3ccc(cc3s2)C(=O)Nc2c(C)cccc2Cl)ncn1

BDBM50256480

CCc1cc(Nc2nccc(n2)-c2c(nc3ccccn23)-c2ccc(OC)c(c2)C(=O)Nc2c(F)cccc2F)c(OC)cc1N1CCC(CC1)N1CCN(CC1)S(C)(=O)=O

BDBM50256479

CCc1cc(Nc2nccc(n2)-c2c(nc3ccccn23)-c2cccc(c2)C(=O)Nc2c(F)cccc2F)c(OC)cc1N1CCC(CC1)N1CCN(CC1)S(C)(=O)=O

BDBM50593050

CCc1cc(cc(n1)C#Cc1ccc2c3c(oc2c1)C(C)(C)c1cc(NS(C)(=O)=O)ccc1C3=O)C(=O)NC(C)(C)C

BDBM26387

CCc1ccc(NC(=O)c2ccc3OC(F)(F)Oc3c2)cc1C(=O)Nc1cnc(Nc2ccc(cc2)N2CCN(C)CC2)nc1

BDBM50116415

CCc1cccc(CC)c1Nc1nc2ccc3c(C(=O)NC(=O)C3(C)C)c2[nH]1

BDBM50112941

CCc1cccc(CC)c1Nc1nc2ccccc2n2cncc12

BDBM340194

CCc1ccnc(NC(=O)c2ccc(cc2)-c2nc([C@@H]3CCCN3C(=O)C#CC)n3ccnc(N)c23)c1 |r|

BDBM340189

CCc1ccnc(NC(=O)c2ccc(cc2)-c2nc([C@@H]3CCCN3C(=O)C=C)n3ccnc(N)c23)c1 |r|

BDBM340084

CCc1ccnc(NC(=O)c2ccc(cc2)-c2nc([C@@H]3CCCN3C(=O)\C=C\COC)n3ccnc(N)c23)c1 |r|

BDBM50131123

CCc1ccnc(Nc2nc3ccc(cc3s2)C(=O)Nc2c(C)cccc2Cl)c1

BDBM50354425

CCc1cn2c(cnc2c(Nc2ccc(C(=O)N3CCNCC3)c(Cl)c2)n1)-c1cn[nH]c1

BDBM340180

CCc1cnc(NC(=O)c2ccc(cc2)-c2nc([C@@H]3CCCCN3C(=O)C#CC)n3ccnc(N)c23)s1 |r|

BDBM340181

CCc1cnc(NC(=O)c2ccc(cc2)-c2nc([C@@H]3CCCCN3C(=O)C=C)n3ccnc(N)c23)s1 |r|

BDBM340136

CCc1cnc(NC(=O)c2ccc(cc2)-c2nc([C@@H]3CCCCN3C(=O)\C=C\COC)n3ccnc(N)c23)s1 |r|

BDBM340182

CCc1cnc(NC(=O)c2ccc(cc2)-c2nc([C@@H]3CCCCN3C(=O)c3ccnc(Cl)n3)n3ccnc(N)c23)s1 |r|

BDBM50545626

CCc1cnc(Nc2ccc(cc2)C(N)=O)nc1N(C)C1CCCCC1

BDBM50135402

CCc1nc(NC(=O)OC(C)(C)C)sc1C(=O)Nc1c(C)cc(C)cc1C

BDBM50126750

CCn1c(Nc2c(Cl)cccc2Cl)nc2ccc3c(C)c(C)[nH]c(=O)c3c12

BDBM50121391

CCn1c(cc2c1nc(Nc1nc(C)c(C)s1)c1ncn(C)c21)C(=O)N(C1CC1)C1CC1

BDBM25013

CCn1c(nc2c(ncc(OC[C@H]3CCCNC3)c12)C#CC(C)(C)O)-c1nonc1N |r|

BDBM50466038

CCn1cc(-c2ccc3N(CCc3c2)C(=O)Cc2cccc(OC(F)(F)F)c2)c2c(N)ncnc12

BDBM50504961

CCn1nc(c(C(N)=O)c1N)-c1ccc2scnc2c1

BDBM50504975

CCn1nc(c(C(N)=O)c1NC)-c1ccc2scnc2c1

BDBM309631

CCn1nnc2cc(ccc12)C(=O)N[C@@H]1CCCN(C1)c1nnc(C(N)=O)c(Nc2ccc(cc2)C(=O)N2CCOCC2)n1 |r|

BDBM309853

CN(C(=O)N[C@@H]1CCCN(C1)c1cnc(C(N)=O)c(Nc2ccc(F)cc2)n1)c1cc(Cl)cc(c1)C(F)(F)F |r|

BDBM309854

CN(C(=O)N[C@@H]1CCCN(C1)c1cnc(C(N)=O)c(Nc2ccc(cc2)C2(CC2)C#N)n1)c1cc(Cl)cc(c1)C(F)(F)F |r|

BDBM309855

CN(C(=O)N[C@@H]1CCCN(C1)c1cnc(C(N)=O)c(Nc2ccc(cc2)C2(CC2)C(N)=O)n1)c1cc(Cl)cc(c1)C(F)(F)F |r|

BDBM50186554

CN(C(=O)Nc1c(C)cccc1Cl)c1cc(Nc2ccc(cc2)N2CCN(C)CC2)ncn1

BDBM50186548

CN(C(=O)Nc1c(C)cccc1Cl)c1cc(Nc2ccc(cc2)N2CCOCC2)ncn1

BDBM50186562

CN(C(=O)Nc1c(Cl)cccc1Cl)c1cc(NC2CCOCC2)ncn1

BDBM50186550

CN(C(=O)Nc1c(Cl)cccc1Cl)c1cc(NCCN2CCOCC2)ncn1

BDBM50186549

CN(C(=O)Nc1c(Cl)cccc1Cl)c1cc(Nc2ccc(F)cc2)ncn1

BDBM50186556

CN(C(=O)Nc1c(Cl)cccc1Cl)c1cc(Nc2ccc(cc2)N2CCN(C)CC2)ncn1

BDBM50186539

CN(C(=O)Nc1c(Cl)cccc1Cl)c1cc(Nc2ccc(cc2)N2CCOCC2)ncn1

BDBM50186535

CN(C(=O)Nc1cc(O)ccc1C)c1cc(Nc2ccc(cc2)N2CCOCC2)ncn1

BDBM50186545

CN(C(=O)Nc1ccccc1Cl)c1cc(Nc2ccc(F)cc2)ncn1

BDBM50186542

CN(C(=O)Nc1ccccc1Cl)c1cc(Nc2ccc(cc2)N2CCN(C)CC2)ncn1

BDBM50186551

CN(C(=O)Nc1ccccc1Cl)c1cc(Nc2ccc(cc2)N2CCOCC2)ncn1

BDBM50097958

CN(C)C(=O)CN1CCC(CC1)n1cc(-c2cccc(O)c2)c2c(N)ncnc12

BDBM309756

CN(C)C(=O)N(C)[C@@H]1CCCN(C1)c1cnc(C#N)c(Nc2ccc(cc2)C2CCN(CC2)C(=O)OC(C)(C)C)n1 |r|

BDBM309757

CN(C)C(=O)N(C)[C@@H]1CCCN(C1)c1cnc(C(N)=O)c(Nc2ccc(cc2)C2CCN(CC2)C(=O)N(C)C)n1 |r|

BDBM309759

CN(C)C(=O)N(C)[C@@H]1CCCN(C1)c1cnc(C(N)=O)c(Nc2ccc(cc2)C2CCN(CC2)S(C)(=O)=O)n1 |r|

BDBM309760

CN(C)C(=O)N(C)[C@@H]1CCCN(C1)c1cnc(C(N)=O)c(Nc2ccc(cc2)N2CCS(=O)(=O)CC2)n1 |r|

BDBM309820

CN(C)C(=O)N1CCC[C@@H]2[C@H]1CCCN2c1cnc(C(N)=O)c(Nc2ccc(cc2)C2CCN(CC2)C2CCCC2)n1 |r|

BDBM309823

CN(C)C(=O)N1CC[C@@H]2CCN(C[C@H]12)c1cnc(C(N)=O)c(Nc2ccc(cc2)C2CCN(CC2)C2CCCC2)n1 |r|

BDBM309818

CN(C)C(=O)N1CC[C@@H]2[C@H]1CCCN2c1cnc(C(N)=O)c(Nc2ccc(cc2)C2CCN(CC2)C2CCCC2)n1 |r|

BDBM309858

CN(C)C(=O)N[C@@H]1CCCCN(C1)c1cnc(C(N)=O)c(Nc2ccc(cc2)C2CCN(CC2)C2CCCC2)n1 |r|

BDBM309752

CN(C)C(=O)N[C@@H]1CCCN(C1)c1cnc(C#N)c(Nc2ccc(cc2)C2(C)CCN(CC2)C(=O)OC(C)(C)C)n1 |r|

BDBM309718

CN(C)C(=O)N[C@@H]1CCCN(C1)c1cnc(C(N)=O)c(Nc2cc(C)ns2)n1 |r|

BDBM309717

CN(C)C(=O)N[C@@H]1CCCN(C1)c1cnc(C(N)=O)c(Nc2ccc(=O)n(C)c2)n1 |r|

BDBM309715

CN(C)C(=O)N[C@@H]1CCCN(C1)c1cnc(C(N)=O)c(Nc2ccc(F)c(C)n2)n1 |r|

BDBM309720

CN(C)C(=O)N[C@@H]1CCCN(C1)c1cnc(C(N)=O)c(Nc2ccc(OC3CCCC3)cc2)n1 |r|

BDBM309725

CN(C)C(=O)N[C@@H]1CCCN(C1)c1cnc(C(N)=O)c(Nc2ccc(cc2)C(=O)N(C)C)n1 |r|

BDBM309726

CN(C)C(=O)N[C@@H]1CCCN(C1)c1cnc(C(N)=O)c(Nc2ccc(cc2)C(=O)N2CCCC2)n1 |r|

BDBM309733

CN(C)C(=O)N[C@@H]1CCCN(C1)c1cnc(C(N)=O)c(Nc2ccc(cc2)C2(CC2)C(=O)N(C)C)n1 |r|

BDBM309731

CN(C)C(=O)N[C@@H]1CCCN(C1)c1cnc(C(N)=O)c(Nc2ccc(cc2)C2(CC2)C(N)=O)n1 |r|

BDBM309730

CN(C)C(=O)N[C@@H]1CCCN(C1)c1cnc(C(N)=O)c(Nc2ccc(cc2)C2(CC2)[N+]#[C-])n1 |r|

BDBM309732

CN(C)C(=O)N[C@@H]1CCCN(C1)c1cnc(C(N)=O)c(Nc2ccc(cc2)C2(CN)CC2)n1 |r|

BDBM309735

CN(C)C(=O)N[C@@H]1CCCN(C1)c1cnc(C(N)=O)c(Nc2ccc(cc2)C2(CN)CCCC2)n1 |r|

BDBM309702

CN(C)C(=O)N[C@@H]1CCCN(C1)c1cnc(C(N)=O)c(Nc2ccc(cc2)C2CCN(CC2)C(=O)C2CC2)n1 |r|

BDBM309684

CN(C)C(=O)N[C@@H]1CCCN(C1)c1cnc(C(N)=O)c(Nc2ccc(cc2)C2CCN(CC2)C(=O)CC#N)n1 |r|

BDBM309701

CN(C)C(=O)N[C@@H]1CCCN(C1)c1cnc(C(N)=O)c(Nc2ccc(cc2)C2CCN(CC2)C(=O)N(C)C)n1 |r|

BDBM309737

CN(C)C(=O)N[C@@H]1CCCN(C1)c1cnc(C(N)=O)c(Nc2ccc(cc2)C2CCN(CC2)C2CC2)n1 |r|

BDBM309706

CN(C)C(=O)N[C@@H]1CCCN(C1)c1cnc(C(N)=O)c(Nc2ccc(cc2)C2CCN(CC2)C2CCC2)n1 |r|

BDBM309686

CN(C)C(=O)N[C@@H]1CCCN(C1)c1cnc(C(N)=O)c(Nc2ccc(cc2)C2CCN(CC2)C2CCCC2)n1 |r|

BDBM309741

CN(C)C(=O)N[C@@H]1CCCN(C1)c1cnc(C(N)=O)c(Nc2ccc(cc2)C2CCN(CC2)C2CCCCC2)n1 |r|

BDBM309707

CN(C)C(=O)N[C@@H]1CCCN(C1)c1cnc(C(N)=O)c(Nc2ccc(cc2)C2CCN(CC2)C2CCOCC2)n1 |r|

BDBM309709

CN(C)C(=O)N[C@@H]1CCCN(C1)c1cnc(C(N)=O)c(Nc2ccc(cc2)C2CCN(CC2)C2COC2)n1 |r|

BDBM309703

CN(C)C(=O)N[C@@H]1CCCN(C1)c1cnc(C(N)=O)c(Nc2ccc(cc2)C2CCN(CC2)S(C)(=O)=O)n1 |r|

BDBM309742

CN(C)C(=O)N[C@@H]1CCCN(C1)c1cnc(C(N)=O)c(Nc2ccc(cc2)C2CCN(CC2)c2ccccc2)n1 |r|

BDBM309705

CN(C)C(=O)N[C@@H]1CCCN(C1)c1cnc(C(N)=O)c(Nc2ccc(cc2)C2CCN(CC2)c2ccccn2)n1 |r|

BDBM309708

CN(C)C(=O)N[C@@H]1CCCN(C1)c1cnc(C(N)=O)c(Nc2ccc(cc2)C2CCN(CCOCCO)CC2)n1 |r|

BDBM309685

CN(C)C(=O)N[C@@H]1CCCN(C1)c1cnc(C(N)=O)c(Nc2ccc(cc2)C2CCNCC2)n1 |r|

BDBM309736

CN(C)C(=O)N[C@@H]1CCCN(C1)c1cnc(C(N)=O)c(Nc2ccc(cc2)N2CCS(=O)(=O)CC2)n1 |r|

BDBM309682

CN(C)C(=O)N[C@@H]1CCCN(C1)c1cnc(C(N)=O)c(Nc2ccc(cc2)S(C)(=O)=O)n1 |r|

BDBM309723

CN(C)C(=O)N[C@@H]1CCCN(C1)c1cnc(C(N)=O)c(Nc2ccc(cc2)[N+]([O-])=O)n1 |r|

BDBM309716

CN(C)C(=O)N[C@@H]1CCCN(C1)c1cnc(C(N)=O)c(Nc2ccn(C)c(=O)c2)n1 |r|

BDBM309747

CN(C)C(=O)N[C@@H]1CCCN(C1)c1cnc(C(N)=O)c(Nc2cnn(c2)C2CC2)n1 |r|

BDBM309748

CN(C)C(=O)N[C@@H]1CCCN(C1)c1cnc(C(N)=O)c(Nc2cnn(c2)C2CCCC2)n1 |r|

BDBM309750

CN(C)C(=O)N[C@@H]1CCCN(C1)c1cnc(C(N)=O)c(Nc2cnn(c2)C2CCN(CC2)C(=O)C2CC2)n1 |r|

BDBM309749

CN(C)C(=O)N[C@@H]1CCCN(C1)c1cnc(C(N)=O)c(Nc2cnn(c2)C2CCN(CC2)C(=O)OC(C)(C)C)n1 |r|

BDBM309751

CN(C)C(=O)N[C@@H]1CCCN(C1)c1cnc(C(N)=O)c(Nc2cnn(c2)C2CN(C2)C2CCCC2)n1 |r|

BDBM50545624

CN(C)C(=O)c1ccc(Nc2nccc(n2)N(C)C2CCCCC2)cc1

BDBM50425862

CN(C)C1CCC(CC1)Nc1nc(Nc2cc(Cl)cc(Cl)c2)ncc1-c1cc(C)no1 |(9.04,-43.08,;10.39,-42.35,;11.7,-43.16,;10.44,-40.81,;9.13,-40,;9.18,-38.46,;10.53,-37.74,;11.85,-38.53,;11.8,-40.08,;10.57,-36.2,;9.81,-34.87,;8.27,-34.86,;7.51,-33.53,;5.96,-33.52,;5.2,-32.19,;5.97,-30.85,;5.21,-29.52,;5.98,-28.19,;3.67,-29.52,;2.89,-30.86,;1.35,-30.86,;3.66,-32.19,;8.27,-32.2,;9.8,-32.19,;10.58,-33.53,;12.11,-33.53,;12.6,-34.99,;14.14,-34.99,;15.06,-36.23,;14.61,-33.52,;13.35,-32.62,)|

BDBM50425864

CN(C)C1CCC(CC1)Nc1nc(Nc2cc(Cl)cc(Cl)c2)ncc1C(=O)NC1CCN(C)CC1 |(47.36,-51.36,;48.9,-51.37,;49.67,-52.7,;49.68,-50.04,;48.92,-48.7,;49.7,-47.37,;51.23,-47.39,;52.01,-48.71,;51.22,-50.05,;52,-46.06,;51.24,-44.72,;49.7,-44.72,;48.94,-43.38,;47.4,-43.38,;46.63,-42.04,;47.41,-40.71,;46.64,-39.37,;47.41,-38.04,;45.1,-39.37,;44.33,-40.71,;42.79,-40.71,;45.1,-42.04,;49.7,-42.05,;51.24,-42.05,;52.01,-43.39,;53.55,-43.39,;54.32,-44.72,;54.32,-42.06,;55.86,-42.06,;56.62,-43.39,;58.16,-43.4,;58.94,-42.07,;60.48,-42.08,;58.17,-40.73,;56.62,-40.72,)|

BDBM50184769

CN(C)C1CCN(CCn2nc(-c3ccc(C)cc3)c3c(N)ncnc23)CC1

BDBM50184785

CN(C)C1CCN(CCn2nc(-c3ccc(CC(=O)OC(C)(C)C)cc3)c3c(N)ncnc23)CC1

BDBM50184784

CN(C)C1CCN(CCn2nc(-c3ccc(CC(O)=O)cc3)c3c(N)ncnc23)CC1

BDBM50184782

CN(C)C1CCN(CCn2nc(-c3ccc(NC(=O)OC(C)(C)C)cc3)c3c(N)ncnc23)CC1

BDBM387845

CN(C)C1CCN(CCn2nc(-c3cnc4[nH]ccc4c3)c3c(N)ncnc23)CC1

BDBM372283

CN(C)CC#CC(=O)N1CCCC1c1nc(-c2ccc(cc2)C(=O)Nc2ccccn2)c2c(N)nccn12

BDBM340087

CN(C)CC#CC(=O)N1CCC[C@H]1c1nc(-c2ccc(cc2)C(=O)Nc2ccccn2)c2c(N)nccn12 |r|

BDBM50355499

CN(C)CC(=O)N1CCC(CC1)c1ccc(NC(=O)c2ncc([nH]2)C#N)c(c1)C1=CCCCC1 |t:31|

BDBM50319573

CN(C)CC(C)(C)CNc1nccc(n1)-c1cccnc1Oc1ccc(Nc2nc3ccccc3[nH]2)c2ccccc12

BDBM50129327

CN(C)CC1CC1C(=O)Nc1nc2ccc(cc2s1)C(=O)Nc1c(C)cccc1Cl

BDBM50184770

CN(C)CC1CCN(CCn2nc(-c3ccc(C)cc3)c3c(N)ncnc23)CC1

BDBM50184766

CN(C)CC1CCN(CCn2nc(-c3cnc4[nH]ccc4c3)c3c(N)ncnc23)CC1

BDBM50126746

CN(C)CC=Cc1[nH]c(=O)c2c3n(C)c(Nc4c(Cl)cccc4Cl)nc3ccc2c1C |w:4.3|

BDBM50020449

CN(C)CCC(=O)Nc1cccc(Nc2ncc(NC(=O)c3cc(NC(=O)c4cccc(c4)C(F)(F)F)ccc3C)cn2)c1

BDBM50184772

CN(C)CCC1CCN(CCn2nc(-c3ccc(C)cc3)c3c(N)ncnc23)CC1

BDBM50311931

CN(C)CCCCNc1cc(ncn1)-n1c(Nc2cc(NC(=O)c3cccc(c3)C(F)(F)F)ccc2C)nc2ccccc12

BDBM50311890

CN(C)CCCCNc1cc(ncn1)-n1c(Nc2cc(ccc2C)C(=O)Nc2cccc(C)c2)nc2ccccc12

BDBM50311909

CN(C)CCCCNc1cc(ncn1)-n1c(Nc2cc(ccc2C)C(=O)Nc2cccc(c2)C(F)(F)F)nc2ccccc12

BDBM50186569

CN(C)CCCN(C(=O)Nc1c(Cl)cccc1Cl)c1cc(Nc2ccc(cc2)N2CCOCC2)ncn1

BDBM50123803

CN(C)CCCNC(=O)c1csc2nc(cn12)-c1ccc(NC(=O)Nc2cc(on2)C(C)(C)C)cc1

BDBM50195331

CN(C)CCCNc1cc(Nc2cc(O)ccc2C)nc(n1)-n1cnc2ccccc12

BDBM50186570

CN(C)CCCNc1cc(ncn1)N(C)C(=O)Nc1c(Cl)cccc1Cl

BDBM50120091

CN(C)CCCNc1ccc2c(c1)nc(Nc1c(C)cccc1Cl)c1cncn21

BDBM50374623

CN(C)CCCOc1ccc(Nc2ncc3c(n2)n2c4ccccc4nc2n(-c2c(C)cccc2C)c3=O)cc1 |(-10.01,-30.27,;-10.01,-31.81,;-11.34,-32.58,;-8.68,-32.58,;-8.68,-34.12,;-7.35,-34.89,;-7.35,-36.43,;-6.01,-37.2,;-4.68,-36.43,;-3.34,-37.2,;-3.36,-38.74,;-2.02,-39.51,;-.69,-38.74,;-.69,-37.2,;.64,-36.43,;1.98,-37.19,;1.98,-38.74,;.64,-39.52,;3.31,-39.51,;3.63,-41.01,;2.73,-42.24,;3.34,-43.65,;4.87,-43.82,;5.78,-42.58,;5.16,-41.18,;5.79,-39.78,;4.65,-38.74,;4.65,-37.19,;5.99,-36.43,;5.98,-34.89,;4.65,-34.13,;7.31,-34.12,;8.65,-34.89,;8.65,-36.44,;7.31,-37.2,;7.31,-38.74,;3.31,-36.42,;3.31,-34.88,;-4.68,-39.51,;-6.01,-38.74,)|

BDBM50305131

CN(C)CCCOc1ccc2CCn3nc(c(C(N)=O)c3Nc2c1)-c1ccc(Oc2ccccc2)cc1

BDBM50305141

CN(C)CCCOc1ccc2Nc3c(C(N)=O)c(nn3CCc2c1)-c1ccc(Oc2ccccc2)cc1

BDBM50359359

CN(C)CCN1CCN(CCC1=O)C(=O)c1cc(sc1NC(=O)Nc1cccc(Cl)c1Cl)C(C)(C)C

BDBM387840

CN(C)CCN1CCN(CCn2nc(-c3ccc(C)cc3)c3c(N)ncnc23)CC1

BDBM50129349

CN(C)CCNC(=O)Nc1nc2ccc(cc2s1)C(=O)Nc1c(C)cccc1Cl

BDBM50120110

CN(C)CCNc1ccc2c(c1)nc(Nc1c(C)cccc1Cl)c1cncn21

BDBM50120112

CN(C)CCNc1ccc2nc(Nc3c(C)cccc3Cl)c3cncn3c2c1

BDBM309722

CN(C)CCOc1ccc(Nc2nc(cnc2C(N)=O)N2CCC[C@H](C2)NC(=O)N(C)C)cc1 |r|

BDBM50374624

CN(C)CCOc1ccc(Nc2ncc3c(n2)n2c4ccccc4nc2n(-c2c(C)cccc2C)c3=O)cc1 |(11.02,-18.02,;12.35,-18.79,;13.68,-18.02,;12.35,-20.33,;13.68,-21.1,;15.02,-20.33,;16.35,-21.1,;17.69,-20.33,;19.02,-21.11,;19.01,-22.65,;20.34,-23.42,;21.67,-22.65,;21.68,-21.11,;23,-20.34,;24.34,-21.1,;24.34,-22.65,;23.01,-23.42,;25.68,-23.42,;26,-24.92,;25.09,-26.15,;25.71,-27.56,;27.24,-27.72,;28.14,-26.49,;27.52,-25.09,;28.16,-23.68,;27.01,-22.65,;27.02,-21.1,;28.35,-20.33,;28.35,-18.8,;27.01,-18.03,;29.68,-18.03,;31.02,-18.8,;31.01,-20.34,;29.68,-21.11,;29.67,-22.65,;25.68,-20.32,;25.68,-18.78,;17.69,-23.42,;16.35,-22.65,)|

BDBM50421256

CN(C)CCOc1ccc(cc1)-c1oc2ncnc(NCC3SCCS3)c2c1-c1ccccc1

BDBM50204588

CN(C)CCOc1ccc(cc1)-c1oc2ncnc(NCCN3CCNCC3)c2c1-c1ccccc1

BDBM50204587

CN(C)CCOc1ccc(cc1)-c1oc2ncnc(NC[C@@H]3CCCO3)c2c1-c1ccccc1

BDBM50305130

CN(C)CCOc1ccc2CCn3nc(c(C(N)=O)c3Nc2c1)-c1ccc(Oc2ccccc2)cc1

BDBM50305120

CN(C)CCOc1ccc2Nc3c(C(N)=O)c(nn3CCc2c1)-c1ccc(N)cc1

BDBM50305125

CN(C)CCOc1ccc2Nc3c(C(N)=O)c(nn3CCc2c1)-c1ccc(NC(=O)Nc2c(Cl)cccc2Cl)cc1

BDBM50305124

CN(C)CCOc1ccc2Nc3c(C(N)=O)c(nn3CCc2c1)-c1ccc(NC(=O)Nc2ccccc2)cc1

BDBM50305123

CN(C)CCOc1ccc2Nc3c(C(N)=O)c(nn3CCc2c1)-c1ccc(NC(=O)OCc2ccccc2)cc1

BDBM50305122

CN(C)CCOc1ccc2Nc3c(C(N)=O)c(nn3CCc2c1)-c1ccc(NCc2c(Cl)cccc2Cl)cc1

BDBM50305121

CN(C)CCOc1ccc2Nc3c(C(N)=O)c(nn3CCc2c1)-c1ccc(Nc2ccccc2)cc1

BDBM50305119

CN(C)CCOc1ccc2Nc3c(C(N)=O)c(nn3CCc2c1)-c1ccc(O)cc1

BDBM50305126

CN(C)CCOc1ccc2Nc3c(C(N)=O)c(nn3CCc2c1)-c1ccc(Oc2ccccc2)cc1

BDBM50022932

CN(C)CC[C@@H](c1ccccc1)n1cc(NC(=O)c2n[nH]c3CC(C)(C)CCc23)cn1 |r|

BDBM50188357

CN(C)CCc1ccc(Nc2ncc3C=C(N4N(CCC4=O)c3n2)c2c(Cl)cccc2Cl)cc1 |c:14|

BDBM17055

CN(C)C[C@@H]1CCn2cc(C3=C(C(=O)NC3=O)c3cn(CCO1)c1ccccc31)c1ccccc21 |r,t:10|

BDBM50357339

CN(C)C\C=C\C(=O)N(C)c1cc2c(cc1Cl)nc(Nc1cc(F)ccc1C)c1cncn21

BDBM50357333

CN(C)C\C=C\C(=O)N(C)c1cc2c(cc1F)nc(Nc1ccccc1C)c1cncn21

BDBM191612

CN(C)C\C=C\C(=O)N1CCC(CC1)n1nc(-c2ccc(Oc3ccccc3)cc2)c2c(N)ncnc12

BDBM191608

CN(C)C\C=C\C(=O)N1CCCC1Cn1nc(-c2ccc(Oc3ccccc3)cc2)c2c(N)ncnc12

BDBM340169

CN(C)C\C=C\C(=O)N1CCCC[C@H]1c1nc(-c2ccc(cc2)C(=O)Nc2ccccn2)c2c(N)nccn12 |r|

BDBM340099

CN(C)C\C=C\C(=O)N1CCCC[C@H]1c1nc(-c2ccc(cc2)C(=O)Nc2cccnn2)c2c(N)nccn12 |r|

BDBM220128

CN(C)C\C=C\C(=O)N1CCC[C@@H]1Cn1nc(-c2ccc(Oc3ccccc3)cc2)c2c(C)ncnc12 |r|

BDBM309605

CN(C)C\C=C\C(=O)N1CCC[C@H](C1)N(C)c1cnc(C(N)=O)c(Nc2ccc(cc2)C(=O)N2CCOCC2)n1 |r|

BDBM309637

CN(C)C\C=C\C(=O)N1CCC[C@H](C1)Nc1nnc(C(N)=O)c(Nc2ccc(cc2)S(C)(=O)=O)n1 |r|

BDBM191616

CN(C)C\C=C\C(=O)N1CCC[C@H]1Cn1nc(-c2ccc(Oc3ccccc3)cc2)c2c(N)ncnc12 |r|

BDBM340094

CN(C)C\C=C\C(=O)N1CCC[C@H]1c1nc(-c2ccc(cc2)C(=O)Nc2cc(C)ccn2)c2c(N)nccn12 |r|

BDBM340083

CN(C)C\C=C\C(=O)N1CCC[C@H]1c1nc(-c2ccc(cc2)C(=O)Nc2cc(F)ccn2)c2c(N)nccn12 |r|

BDBM340119

CN(C)C\C=C\C(=O)N1CCC[C@H]1c1nc(-c2ccc(cc2)C(=O)Nc2ccccn2)c2c(N)nccn12 |r|

BDBM340127

CN(C)C\C=C\C(=O)N1CCC[C@H]1c1nc(-c2ccc(cc2)C(=O)Nc2nccs2)c2c(N)nccn12 |r|

BDBM220129

CN(C)C\C=C\C(=O)NC1CC[C@@H](CC1)n1nc(-c2ccc(Oc3ccccc3)cc2)c2c(N)ncnc12 |r,wU:12.15,(5.41,-.16,;4.32,-1.25,;4.72,-2.74,;2.83,-.85,;1.74,-1.94,;.25,-1.54,;-.84,-2.63,;-.44,-4.12,;-2.32,-2.23,;-2.72,-.74,;-1.63,.35,;-2.03,1.83,;-3.52,2.23,;-4.61,1.14,;-4.21,-.35,;-3.92,3.72,;-3.01,4.96,;-3.92,6.21,;-3.44,7.68,;-4.47,8.82,;-4,10.28,;-2.49,10.6,;-2.01,12.07,;-3.05,13.21,;-4.55,12.89,;-5.58,14.04,;-5.11,15.5,;-3.6,15.82,;-2.57,14.68,;-1.46,9.46,;-1.94,8,;-5.38,5.73,;-6.72,6.5,;-6.72,8.04,;-8.05,5.73,;-8.05,4.19,;-6.72,3.42,;-5.38,4.19,)|

BDBM340096

CN(C)C\C=C\C(=O)NCc1nc(-c2ccc(cc2)C(=O)Nc2ccccn2)c2c(N)nccn12

BDBM191622

CN(C)C\C=C\C(=O)N[C@H]1CC[C@@H](CC1)n1nc(-c2ccc(Oc3ccccc3)cc2)c2c(N)ncnc12 |r,wU:12.15,wD:9.8,(5.67,1.62,;4.9,.28,;5.67,-1.05,;3.36,.28,;2.59,-1.05,;1.05,-1.05,;.28,-2.39,;1.05,-3.72,;-1.26,-2.39,;-2.03,-1.05,;-1.26,.28,;-2.03,1.62,;-3.57,1.62,;-4.34,.28,;-3.57,-1.05,;-4.34,2.95,;-3.79,4.39,;-4.98,5.36,;-4.98,6.9,;-3.65,7.67,;-3.65,9.21,;-4.98,9.98,;-4.98,11.52,;-3.65,12.29,;-2.32,11.52,;-.98,12.29,;-.98,13.83,;-2.32,14.6,;-3.65,13.83,;-6.32,9.21,;-6.32,7.67,;-6.27,4.52,;-7.76,4.92,;-8.16,6.4,;-8.85,3.83,;-8.45,2.34,;-6.97,1.94,;-5.88,3.03,)|

BDBM50322823

CN(C)C\C=C\C(=O)Nc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1O[C@H]1CCOC1 |r|

BDBM50339609

CN(C)Cc1cc(cc(c1)C(F)(F)F)C(=O)N[C@@H]1CCc2ccc(Oc3ccnc4NC(=O)CCc34)cc2C1 |r|

BDBM309724

CN(C)Cc1ccc(Nc2nc(cnc2C(N)=O)N2CCC[C@H](C2)NC(=O)N(C)C)cc1 |r|

BDBM50131133

CN(C)Cc1cccc(Nc2nc3ccc(cc3s2)C(=O)Nc2c(C)cccc2Cl)n1

BDBM50239328

CN(C)Cc1cccc(c1)-c1cc2c(Nc3ccc4[nH]ccc4c3C)c(cnc2s1)C#N

BDBM50131144

CN(C)Cc1ccnc(Nc2nc3ccc(cc3s2)C(=O)Nc2c(C)cccc2Cl)c1

BDBM50195353

CN(C)c1cc(Nc2cc(O)ccc2C)nc(n1)-n1cnc2ccccc12

BDBM50188352

CN(C)c1ccc(Nc2ncc3C=C(N4N(CCC4=O)c3n2)c2c(Cl)cccc2Cl)cc1 |c:12|

BDBM50188348

CN(C)c1ccc(Nc2ncc3C=C(N4N(CCC4=O)c3n2)c2cc(O)ccc2Cl)cc1 |c:12|

BDBM50519662

CN(C)c1ccc(cc1)C(=O)Nc1cccc(NC(=O)COc2ccc3c(c2)occc3=O)c1

BDBM50123457

CN(C)c1ccc(cc1)C(=O)Nc1cccc(c1F)-c1ccc(C(N)=O)c2[nH]c3cc(ccc3c12)C(=O)N1CCN(C)CC1

BDBM50120108

CN(C)c1ccc2nc(Nc3c(C)cccc3Cl)c3cncn3c2c1

BDBM50145924

CN(C)c1cccc2c1nc(Nc1c(C)cccc1Cl)c1cncn21

BDBM50320210

CN(C1CCCCC1)C(=O)Nc1ccc(cc1)-c1cnc2c(cnn2c1N)-c1ccc(cc1)N1CCN(C)CC1

BDBM50320204

CN(C1CCCCC1)C(=O)Nc1ccc(cc1)-c1cnc2c(cnn2c1N)-c1cccc(c1)N1CCN(C)CC1

BDBM50545618

CN(C1CCCCC1)C1CCNC(=O)C1

BDBM50545620

CN(C1CCCCC1)C1CCOCC1

BDBM50545612

CN(C1CCCCC1)c1c(cnc2[nH]ncc12)C(N)=O

BDBM50545613

CN(C1CCCCC1)c1cc(NC(C)=O)ncn1

BDBM50545615

CN(C1CCCCC1)c1cc(NC2CC2)ncn1

BDBM50545616

CN(C1CCCCC1)c1cc(Nc2ccccn2)ncn1

BDBM50545621

CN(C1CCCCC1)c1ccnc(Nc2ccc(CO)cc2)n1

BDBM50545623

CN(C1CCCCC1)c1ccnc(Nc2ccc(cc2)C(N)=O)n1

BDBM50545622

CN(C1CCCCC1)c1ccnc(Nc2ccc(cc2)C(O)=O)n1

BDBM50545617

CN(C1CCCCC1)c1ccnc(Nc2ccccc2)n1

BDBM50545625

CN(C1CCCCC1)c1nc(Nc2ccc(cc2)C(N)=O)ncc1C

BDBM50545627

CN(C1CCCCC1)c1nc(Nc2ccc(cc2)C(N)=O)ncc1C(F)(F)F

BDBM50332599

CN(C1CCCCC1)c1ncnc2[nH]ccc12

BDBM50545610

CN(C1CCCCC1)c1ncnc2ccccc12

BDBM228765

CN(C1CCCN(C1)c1ncnc2[nH]ccc12)C(=O)CC#N

BDBM50545644

CN(C1CCN(C1)c1ncnc2[nH]ccc12)C(=O)CC#N

BDBM50545645

CN(CC1CCCN1c1ncnc2[nH]ccc12)C(=O)CC#N

BDBM50126743

CN(CC=Cc1[nH]c(=O)c2c3n(C)c(Nc4c(Cl)cccc4Cl)nc3ccc2c1C)Cc1ccccc1 |w:3.2|

BDBM50194677

CN(CCCN1CCOCC1)c1ncc2cc(ccc2n1)-c1cc(ccc1C)C(=O)Nc1cccc(c1C)C(F)(F)F

BDBM191623

CN(CCn1nc(-c2ccc(Oc3ccccc3)cc2)c2c(N)ncnc12)C(=O)C=C

BDBM309687

CN(C\C=C\C(=O)N1CCC[C@H](C1)N(C)c1cnc(C(N)=O)c(Nc2ccc(cc2)C(=O)N2CCOCC2)n1)C1CC1 |r|

BDBM309638

CN(C\C=C\C(=O)N1CCC[C@H](C1)Nc1nnc(C(N)=O)c(Nc2ccc(cc2)S(C)(=O)=O)n1)C1CC1 |r|

BDBM50043416

CN(Cc1ccccc1)C(=O)c1ccc(cc1)S(=O)(=O)Nc1ccccc1

BDBM309604

CN([C@@H]1CCCN(C1)C(=O)C=C)c1cnc(C(N)=O)c(Nc2ccc(cc2)C(=O)N2CCOCC2)n1 |r|

BDBM26474

CN(c1ccc2c(C)n(C)nc2c1)c1ccnc(Nc2ccc(C)c(c2)S(N)(=O)=O)n1

BDBM50112937

CN(c1ccccc1Cl)c1nc2ccccc2n2cncc12

BDBM50116403

CN(c1nc2ccc3c(C(=O)NC(=O)C3(C)C)c2[nH]1)c1c(Cl)cccc1Cl

BDBM50182493

CN1C(=O)COc2c1cnc1ccc(Sc3nnc4c(F)cc(cn34)-c3cnn(C)c3)cc21

BDBM50242740

CN1C(=O)N(Cc2cnc(N)nc12)c1cc(NC(=O)c2cccc(c2)C(F)(F)F)ccc1C

BDBM50116395

CN1C(=O)c2c(ccc3nc(Nc4c(Cl)cccc4Cl)[nH]c23)C(C)(C)C1=O

BDBM50425865

CN1CCC(CC1)NC(=O)c1cnc(NCc2cc(Cl)ccc2Cl)nc1NC1CCCC1

BDBM50425863

CN1CCC(CC1)NC(=O)c1cnc(Nc2cc(Cl)cc(Cl)c2)nc1N[C@@H]1COC[C@H]1O |r|

BDBM50311936

CN1CCC(CC1)Nc1cc(ncn1)-n1c(Nc2cc(NC(=O)c3cccc(c3)C(F)(F)F)ccc2C)nc2ccccc12

BDBM50507645

CN1CCC(CC1)Nc1ccc(cc1)C(=O)Nc1cc(n[nH]1)-c1cc(cs1)C#N

BDBM50513230

CN1CCC(CC1)Nc1ccc(cc1)C(=O)Nc1cc(n[nH]1)-c1ccc2OCOc2c1

BDBM26376

CN1CCC(CC1)Nc1ncc(NC(=O)c2cc(NC(=O)c3cccc(c3)C(F)(F)F)ccc2C)cn1

BDBM50194675

CN1CCC(CC1)Nc1ncc2cc(ccc2n1)-c1cc(ccc1C)C(=O)Nc1cccc(c1C)C(F)(F)F

BDBM50311920

CN1CCC(CC1)Oc1cc(cc(c1)C(F)(F)F)C(=O)Nc1ccc(C)c(Nc2nc3ccccc3n2-c2cc(N)ncn2)c1

BDBM309678

CN1CCC(CC1)c1ccc(Nc2nc(cnc2C(N)=O)N2CCC[C@H](C2)NC(=O)N2CCCCC2)cc1 |r|

BDBM309696

CN1CCC(CC1)c1ccc(Nc2nc(cnc2C(N)=O)N2CCC[C@H](C2)NC(=O)OC(C)(C)C)cc1 |r|

BDBM309699

CN1CCC(CC1)c1ccc(Nc2nc(cnc2C(N)=O)N2CCC[C@H](C2)NC(=O)c2ccc(F)cc2)cc1 |r|

BDBM309661

CN1CCC(CC1)c1ccc(Nc2nc(cnc2C(N)=O)N2CCC[C@H](C2)NC(=O)c2ccc(cc2)C(C)(C)C)cc1 |r|

BDBM50195342

CN1CCC(Cc2cc(Nc3cc(O)ccc3C)nc(n2)-n2cnc3ccccc23)CC1

BDBM50198353

CN1CCCC(COc2ccc(cc2)-c2cnc(Nc3c(C)cccc3C)c3cncn23)C1

BDBM50129343

CN1CCCC1CCNC(=O)Nc1nc2ccc(cc2s1)C(=O)Nc1c(C)cccc1Cl

BDBM50319572

CN1CCCC1CCNc1nccc(n1)-c1cccnc1Oc1ccc(Nc2nc3ccccc3[nH]2)c2ccccc12

BDBM50120126

CN1CCCN(CC1)c1ccc2nc(Nc3c(C)cccc3Cl)c3cncn3c2c1

BDBM309816

CN1CCCN([C@@H]2CCCN(C2)c2cnc(C(N)=O)c(Nc3ccc(cc3)C3(C)CCN(CC3)C3CC3)n2)C1=O |r|

BDBM309814

CN1CCCN([C@@H]2CCCN(C2)c2cnc(C(N)=O)c(Nc3ccc(cc3)C3(C)CCN(CC3)C3CCCC3)n2)C1=O |r|

BDBM309815

CN1CCCN([C@@H]2CCCN(C2)c2cnc(C(N)=O)c(Nc3ccc(cc3)C3CCN(CC3)C3CC3)n2)C1=O |r|

BDBM309813

CN1CCCN([C@@H]2CCCN(C2)c2cnc(C(N)=O)c(Nc3ccc(cc3)C3CCN(CC3)C3CCCC3)n2)C1=O |r|

BDBM50209158

CN1CCN(CC(=O)Nc2cccc-3c2Cc2c-3n[nH]c2-c2csc(c2)C#CCOc2ccccc2)CC1

BDBM50126742

CN1CCN(CC1)C(=O)Cc1c(C)[nH]c(=O)c2c3n(C)c(Nc4c(Cl)cccc4Cl)nc3ccc12

BDBM50123456

CN1CCN(CC1)C(=O)c1ccc2c(c1)[nH]c1c(ccc(-c3cccc(NC(C)=O)c3C)c21)C(N)=O

BDBM50123455

CN1CCN(CC1)C(=O)c1ccc2c(c1)[nH]c1c(ccc(-c3ccccc3F)c21)C(N)=O

BDBM50186540

CN1CCN(CC1)N(C(=O)Nc1c(Cl)cccc1Cl)c1cc(Nc2ccc(cc2)N2CCOCC2)ncn1

BDBM50195350

CN1CCN(CC1)Nc1cc(Nc2cc(O)ccc2C)nc(n1)-n1cnc2ccccc12

BDBM8793

CN1CCN(CC1)[C@H]1CC[C@@H](CC1)n1cc(-c2ccc(Oc3ccccc3)cc2)c2c(N)ncnc12 |r,wU:10.14,wD:7.7,(-.91,-10.51,;-1.37,-9.04,;-2.87,-8.71,;-3.34,-7.24,;-2.3,-6.11,;-.8,-6.44,;-.33,-7.91,;-2.72,-4.63,;-1.64,-3.52,;-2.06,-2.04,;-3.55,-1.66,;-4.63,-2.76,;-4.21,-4.25,;-4.03,-.2,;-3.12,1.05,;-4.03,2.3,;-3.55,3.76,;-4.69,4.8,;-4.36,6.3,;-2.89,6.77,;-2.56,8.27,;-1.1,8.74,;-.48,10.15,;1.05,10.33,;1.96,9.09,;1.35,7.68,;-.18,7.5,;-1.75,5.73,;-2.08,4.23,;-5.49,1.82,;-6.82,2.59,;-6.82,4.13,;-8.16,1.82,;-8.16,.28,;-6.82,-.49,;-5.49,.28,)|

BDBM8808

CN1CCN(CC1)[C@H]1CC[C@@H](CC1)n1nc(-c2ccc(NCc3cc4ccccc4[nH]3)cc2)c2c(N)ncnc12 |r,wU:10.14,wD:7.7,(-.91,-10.51,;-1.37,-9.04,;-2.87,-8.71,;-3.34,-7.24,;-2.3,-6.11,;-.8,-6.44,;-.33,-7.91,;-2.72,-4.63,;-1.64,-3.52,;-2.06,-2.04,;-3.55,-1.66,;-4.63,-2.76,;-4.21,-4.25,;-4.03,-.2,;-3.12,1.05,;-4.03,2.3,;-3.55,3.76,;-4.69,4.8,;-4.36,6.3,;-2.89,6.77,;-2.56,8.27,;-1.1,8.74,;-.77,10.25,;.65,10.85,;.52,12.38,;1.57,13.51,;1.12,14.98,;-.38,15.33,;-1.43,14.2,;-.98,12.73,;-1.78,11.41,;-1.75,5.73,;-2.08,4.23,;-5.49,1.82,;-6.82,2.59,;-6.82,4.13,;-8.16,1.82,;-8.16,.28,;-6.82,-.49,;-5.49,.28,)|

BDBM8795

CN1CCN(CC1)[C@H]1CC[C@@H](CC1)n1nc(-c2ccc(Nc3ccccc3)cc2)c2c(N)ncnc12 |r,wU:10.14,wD:7.7,(-.91,-10.51,;-1.37,-9.04,;-2.87,-8.71,;-3.34,-7.24,;-2.3,-6.11,;-.8,-6.44,;-.33,-7.91,;-2.72,-4.63,;-1.64,-3.52,;-2.06,-2.04,;-3.55,-1.66,;-4.63,-2.76,;-4.21,-4.25,;-4.03,-.2,;-3.12,1.05,;-4.03,2.3,;-3.55,3.76,;-4.69,4.8,;-4.36,6.3,;-2.89,6.77,;-2.56,8.27,;-1.1,8.74,;-.51,10.17,;1.01,10.37,;1.96,9.15,;1.37,7.73,;-.15,7.52,;-1.75,5.73,;-2.08,4.23,;-5.49,1.82,;-6.82,2.59,;-6.82,4.13,;-8.16,1.82,;-8.16,.28,;-6.82,-.49,;-5.49,.28,)|

BDBM8794

CN1CCN(CC1)[C@H]1CC[C@@H](CC1)n1nc(-c2ccc(Oc3ccccc3)cc2)c2c(N)ncnc12 |r,wU:10.14,wD:7.7,(-.91,-10.51,;-1.37,-9.04,;-2.87,-8.71,;-3.34,-7.24,;-2.3,-6.11,;-.8,-6.44,;-.33,-7.91,;-2.72,-4.63,;-1.64,-3.52,;-2.06,-2.04,;-3.55,-1.66,;-4.63,-2.76,;-4.21,-4.25,;-4.03,-.2,;-3.12,1.05,;-4.03,2.3,;-3.55,3.76,;-4.69,4.8,;-4.36,6.3,;-2.89,6.77,;-2.56,8.27,;-1.1,8.74,;-.48,10.15,;1.05,10.33,;1.96,9.09,;1.35,7.68,;-.18,7.5,;-1.75,5.73,;-2.08,4.23,;-5.49,1.82,;-6.82,2.59,;-6.82,4.13,;-8.16,1.82,;-8.16,.28,;-6.82,-.49,;-5.49,.28,)|

BDBM8796

CN1CCN(CC1)[C@H]1CC[C@@H](CC1)n1nc(-c2ccc(cc2)C(=O)c2ccccc2)c2c(N)ncnc12 |r,wU:10.14,wD:7.7,(-.91,-10.51,;-1.37,-9.04,;-2.87,-8.71,;-3.34,-7.24,;-2.3,-6.11,;-.8,-6.44,;-.33,-7.91,;-2.72,-4.63,;-1.64,-3.52,;-2.06,-2.04,;-3.55,-1.66,;-4.63,-2.76,;-4.21,-4.25,;-4.03,-.2,;-3.12,1.05,;-4.03,2.3,;-3.55,3.76,;-4.69,4.8,;-4.36,6.3,;-2.89,6.77,;-1.75,5.73,;-2.08,4.23,;-2.56,8.27,;-3.7,9.31,;-1.1,8.74,;-.51,10.17,;1.01,10.37,;1.96,9.15,;1.37,7.73,;-.15,7.52,;-5.49,1.82,;-6.82,2.59,;-6.82,4.13,;-8.16,1.82,;-8.16,.28,;-6.82,-.49,;-5.49,.28,)|

BDBM50114585

CN1CCN(CC1)[C@H]1CC[C@H](CC1)n1cc(-c2ccc(Oc3ccccc3)cc2)c2c(N)ncnc12 |wU:7.7,10.14,(2.19,-10.22,;1.73,-8.75,;2.75,-7.59,;2.29,-6.14,;.77,-5.83,;-.26,-6.95,;.21,-8.41,;.3,-4.36,;-1.21,-4.04,;-1.67,-2.57,;-.63,-1.42,;.86,-1.75,;1.33,-3.22,;-1.1,.05,;-.19,1.28,;-1.1,2.52,;-.61,4.01,;-1.63,5.13,;-1.16,6.58,;.35,6.92,;.84,8.36,;2.34,8.68,;2.81,10.15,;4.32,10.44,;5.35,9.29,;4.88,7.84,;3.36,7.52,;1.38,5.76,;.89,4.29,;-2.56,2.05,;-3.89,2.82,;-3.89,4.36,;-5.22,2.05,;-5.23,.54,;-3.9,-.26,;-2.57,.51,)|

BDBM50048374

CN1CCN(CC1)c1cc(F)c2c3nc(N)nn3c(Cc3ccc4OCOc4c3)nc2c1

BDBM13534

CN1CCN(CC1)c1cc(Nc2cc(C)n[nH]2)nc(Sc2ccc(NC(=O)C3CC3)cc2)n1

BDBM50195345

CN1CCN(CC1)c1cc(Nc2cc(O)ccc2C)nc(n1)-n1cnc2ccccc12

BDBM50311926

CN1CCN(CC1)c1cc(cc(c1)C(F)(F)F)C(=O)Nc1ccc(C)c(Nc2nc3ccccc3n2-c2cc(N)ncn2)c1

BDBM158154

CN1CCN(CC1)c1ccc(C(=O)Nc2n[nH]c3ccc(Cc4cc(F)cc(F)c4)cc23)c(NC2CCOCC2)c1

BDBM50365216

CN1CCN(CC1)c1ccc(Nc2nc(N)c(s2)C(=O)c2ccc3OCCOc3c2)cc1

BDBM309677

CN1CCN(CC1)c1ccc(Nc2nc(cnc2C(N)=O)N2CCC[C@H](C2)NC(=O)N2CCCCC2)cc1 |r|

BDBM309660

CN1CCN(CC1)c1ccc(Nc2nc(cnc2C(N)=O)N2CCC[C@H](C2)NC(=O)c2ccc(cc2)C(C)(C)C)cc1 |r|

BDBM50084464

CN1CCN(CC1)c1ccc(Nc2ncc(Cl)c(NC[C@H]3CCCO3)n2)cc1 |r|

BDBM26388

CN1CCN(CC1)c1ccc(Nc2ncc(NC(=O)c3c(C)ccc(NC(=O)c4cccc(c4)C(F)(F)F)c3C)cn2)cc1

BDBM26389

CN1CCN(CC1)c1ccc(Nc2ncc(NC(=O)c3c(Cl)cccc3Cl)cn2)cc1

BDBM26372

CN1CCN(CC1)c1ccc(Nc2ncc(NC(=O)c3cc(NC(=O)Nc4cccc(c4)C(F)(F)F)ccc3C)cn2)cc1

BDBM26381

CN1CCN(CC1)c1ccc(Nc2ncc(NC(=O)c3cc(NC(=O)c4cc(F)cc(c4)C(F)(F)F)ccc3C)cn2)cc1

BDBM26384

CN1CCN(CC1)c1ccc(Nc2ncc(NC(=O)c3cc(NC(=O)c4ccc(cc4)C(C)(C)C)ccc3C)cn2)cc1

BDBM26383

CN1CCN(CC1)c1ccc(Nc2ncc(NC(=O)c3cc(NC(=O)c4ccc5OC(F)(F)Oc5c4)ccc3C)cn2)cc1

BDBM26386

CN1CCN(CC1)c1ccc(Nc2ncc(NC(=O)c3cc(NC(=O)c4ccc5OC(F)(F)Oc5c4)ccc3Cl)cn2)cc1

BDBM26369

CN1CCN(CC1)c1ccc(Nc2ncc(NC(=O)c3cc(NC(=O)c4cccc(c4)C(F)(F)F)ccc3C)cn2)cc1

BDBM26382

CN1CCN(CC1)c1ccc(Nc2ncc(NC(=O)c3cc(NC(=O)c4cccc(c4C)C(F)(F)F)ccc3C)cn2)cc1

BDBM26379

CN1CCN(CC1)c1ccc(Nc2ncc(NC(=O)c3cc(NC(=O)c4ccccc4)ccc3C)cn2)cc1

BDBM26378

CN1CCN(CC1)c1ccc(Nc2ncc(NC(=O)c3cc(NC(=O)c4cnoc4C)ccc3C)cn2)cc1

BDBM26377

CN1CCN(CC1)c1ccc(Nc2ncc(NC(=O)c3cc(NC(C)=O)ccc3C)cn2)cc1

BDBM26366

CN1CCN(CC1)c1ccc(Nc2ncc(NC(=O)c3cc(ccc3C)C(=O)Nc3cccc(c3)C(F)(F)F)cn2)cc1

BDBM50188340

CN1CCN(CC1)c1ccc(Nc2ncc3C=C(N4N(CCC4=O)c3n2)c2cc(O)ccc2Cl)cc1 |c:17|

BDBM50374608

CN1CCN(CC1)c1ccc(Nc2ncc3c(n2)n2c(nc4ccccc24)n(-c2c(C)cccc2C)c3=O)cc1 |(-5.07,-9.29,;-3.87,-8.32,;-4.12,-6.8,;-2.92,-5.83,;-1.48,-6.38,;-1.24,-7.9,;-2.43,-8.87,;-.29,-5.41,;1.15,-5.96,;2.35,-4.99,;2.11,-3.47,;3.3,-2.5,;3.06,-.98,;4.25,-.01,;4.01,1.51,;2.57,2.06,;1.38,1.09,;1.62,-.43,;-.06,1.64,;-.3,3.16,;-1.82,3.4,;-2.52,2.03,;-4.01,1.63,;-4.41,.14,;-3.32,-.95,;-1.83,-.55,;-1.43,.94,;.89,4.13,;.65,5.65,;-.79,6.2,;-1.98,5.23,;-1.03,7.72,;.17,8.7,;1.6,8.15,;1.85,6.62,;3.28,6.07,;2.33,3.58,;3.53,4.55,;.67,-2.92,;-.53,-3.89,)|

BDBM50374613

CN1CCN(CC1)c1ccc(Nc2ncc3c(n2)n2c(nc4ccccc24)n(-c2ccc(C)cc2)c3=O)cc1

BDBM50374612

CN1CCN(CC1)c1ccc(Nc2ncc3c(n2)n2c(nc4ccccc24)n(-c2cccc(C)c2)c3=O)cc1

BDBM50374614

CN1CCN(CC1)c1ccc(Nc2ncc3c(n2)n2c4ccccc4nc2n(-c2c(Cl)cc(Cl)cc2Cl)c3=O)cc1 |(13.38,-19.23,;14.71,-20,;16.05,-19.24,;17.38,-20.01,;17.37,-21.55,;16.04,-22.32,;14.71,-21.55,;18.7,-22.32,;20.04,-21.55,;21.37,-22.32,;21.36,-23.86,;22.69,-24.63,;24.03,-23.87,;24.03,-22.32,;25.35,-21.55,;26.7,-22.31,;26.69,-23.86,;25.36,-24.64,;28.03,-24.63,;28.35,-26.13,;27.44,-27.37,;28.06,-28.77,;29.59,-28.94,;30.49,-27.7,;29.88,-26.3,;30.51,-24.9,;29.37,-23.86,;29.37,-22.32,;30.7,-21.55,;30.7,-20.01,;29.36,-19.25,;32.03,-19.24,;33.37,-20.02,;34.7,-19.25,;33.37,-21.56,;32.03,-22.32,;32.03,-23.86,;28.03,-21.54,;28.03,-20,;20.04,-24.63,;18.71,-23.87,)|

BDBM50374615

CN1CCN(CC1)c1ccc(Nc2ncc3c(n2)n2c4ccccc4nc2n(-c2c(Cl)cccc2Cl)c3=O)cc1 |(-12.03,-20.12,;-10.7,-20.89,;-9.36,-20.13,;-8.03,-20.9,;-8.04,-22.44,;-9.37,-23.21,;-10.7,-22.44,;-6.71,-23.21,;-5.37,-22.44,;-4.04,-23.21,;-4.05,-24.75,;-2.72,-25.52,;-1.38,-24.76,;-1.38,-23.21,;-.06,-22.44,;1.29,-23.2,;1.28,-24.75,;-.05,-25.53,;2.62,-25.52,;2.94,-27.02,;2.03,-28.26,;2.65,-29.66,;4.18,-29.83,;5.08,-28.59,;4.47,-27.19,;5.1,-25.79,;3.96,-24.75,;3.96,-23.21,;5.29,-22.44,;5.29,-20.9,;3.95,-20.14,;6.62,-20.13,;7.96,-20.91,;7.96,-22.45,;6.62,-23.21,;6.62,-24.75,;2.62,-22.43,;2.62,-20.89,;-5.37,-25.52,;-6.7,-24.76,)|

BDBM17732

CN1CCN(CC1)c1ccc(Nc2nccc(n2)N(C(=O)Oc2c(C)cccc2C)c2ccc(cc2)-c2ccccc2)cc1

BDBM17731

CN1CCN(CC1)c1ccc(Nc2nccc(n2)N(C(=O)Oc2c(C)cccc2C)c2ccc3ccccc3c2)cc1

BDBM17733

CN1CCN(CC1)c1ccc(Nc2nccc(n2)N(C(=O)Oc2c(C)cccc2C)c2cccc(c2)-c2ccccc2)cc1

BDBM17725

CN1CCN(CC1)c1ccc(Nc2nccc(n2)N(C(=O)Oc2c(C)cccc2C)c2ccccc2)cc1

BDBM50343559

CN1CCN(CC1)c1ccc(OC(F)(F)F)c(Nc2ncc3CCc4c(nn(CCO)c4-c3n2)C(N)=O)c1

BDBM50361089

CN1CCN(CC1)c1ccc(OC(F)(F)F)c(Nc2nccc(n2)-c2cc(cn2C)C(N)=O)c1

BDBM50361088

CN1CCN(CC1)c1ccc(OC(F)(F)F)c(Nc2nccc(n2)-c2cc3c(CCNC3=O)n2C)c1

BDBM50320215

CN1CCN(CC1)c1ccc(cc1)-c1c(C)nn2c(N)c(cnc12)-c1cccc(O)c1

BDBM50349877

CN1CCN(CC1)c1ccc(cc1)-c1cc2n(C)nc(N)c2c(=O)[nH]1

BDBM50320205

CN1CCN(CC1)c1ccc(cc1)-c1cnn2c(N)c(cnc12)-c1ccc(NC(=O)CCC2CCCC2)cc1

BDBM50320209

CN1CCN(CC1)c1ccc(cc1)-c1cnn2c(N)c(cnc12)-c1ccc(NC(=O)NCC2CCCCC2)cc1

BDBM50320208

CN1CCN(CC1)c1ccc(cc1)-c1cnn2c(N)c(cnc12)-c1ccc(NC(=O)Nc2ccccc2Cl)cc1

BDBM50320207

CN1CCN(CC1)c1ccc(cc1)-c1cnn2c(N)c(cnc12)-c1ccc(NC(=O)Oc2ccccc2)cc1

BDBM50320206

CN1CCN(CC1)c1ccc(cc1)-c1cnn2c(N)c(cnc12)-c1ccc(NC(=O)c2ccc(cc2)C(F)(F)F)cc1

BDBM50320228

CN1CCN(CC1)c1ccc(cc1)-c1cnn2c(N)c(cnc12)-c1ccc(O)cc1

BDBM50320214

CN1CCN(CC1)c1ccc(cc1)-c1cnn2c(N)c(cnc12)-c1cccc(O)c1

BDBM50120123

CN1CCN(CC1)c1ccc2c(c1)nc(Nc1c(C)cccc1Cl)c1cncn21

BDBM50120101

CN1CCN(CC1)c1ccc2nc(Nc3c(C)cccc3Cl)c3cncn3c2c1

BDBM25118

CN1CCN(CC1)c1ccc2nc([nH]c2c1)-c1c(N)c2c(F)cccc2[nH]c1=O

BDBM50453462

CN1CCN(CC1)c1ccc2nc([nH]c2c1)-c1c(N)c2ccsc2[nH]c1=O

BDBM50453461

CN1CCN(CC1)c1ccc2nc([nH]c2c1)-c1c(N)c2sccc2[nH]c1=O

BDBM50320225

CN1CCN(CC1)c1cccc(c1)-c1cnn2c(N)c(cnc12)-c1ccc(NC(=O)CCC2CCCC2)cc1

BDBM50320224

CN1CCN(CC1)c1cccc(c1)-c1cnn2c(N)c(cnc12)-c1ccc(NC(=O)NCC2CCCCC2)cc1

BDBM50320223

CN1CCN(CC1)c1cccc(c1)-c1cnn2c(N)c(cnc12)-c1ccc(NC(=O)Nc2ccccc2Cl)cc1

BDBM50320222

CN1CCN(CC1)c1cccc(c1)-c1cnn2c(N)c(cnc12)-c1ccc(NC(=O)Oc2ccccc2)cc1

BDBM50320226

CN1CCN(CC1)c1cccc(c1)-c1cnn2c(N)c(cnc12)-c1ccc(NC(=O)c2ccc(cc2)C(F)(F)F)cc1

BDBM50320229

CN1CCN(CC1)c1cccc(c1)-c1cnn2c(N)c(cnc12)-c1ccc(NS(=O)(=O)c2cccc(Cl)c2Cl)cc1

BDBM50320227

CN1CCN(CC1)c1cccc(c1)-c1cnn2c(N)c(cnc12)-c1ccc(O)cc1

BDBM50301593

CN1CCN(CC1CNc1nccc(n1)-n1cnc2ccccc12)C(=O)c1ccc2ccccc2c1

BDBM50020310

CN1CCN(CCC(=O)Nc2c(C)[nH]c(\C=C3/C(=O)Nc4ccc(F)cc34)c2C)CC1

BDBM50311893

CN1CCN(CCCNc2cc(ncn2)-n2c(Nc3cc(NC(=O)c4cccc(c4)C(F)(F)F)ccc3C)nc3ccccc23)CC1

BDBM50311908

CN1CCN(CCCNc2cc(ncn2)-n2c(Nc3cc(ccc3C)C(=O)Nc3cccc(C)c3)nc3ccccc23)CC1

BDBM50311912

CN1CCN(CCCNc2cc(ncn2)-n2c(Nc3cc(ccc3C)C(=O)Nc3cccc(c3)C(F)(F)F)nc3ccccc23)CC1

BDBM50311915

CN1CCN(CCCNc2ncnc(n2)-n2c(Nc3cc(ccc3C)C(=O)Nc3cccc(c3)C(F)(F)F)nc3ccccc23)CC1

BDBM50463484

CN1CCN(CCCOc2cccc(CC(=O)Nc3nc(cs3)-c3c[nH]c4ncccc34)c2)CC1

BDBM50195352

CN1CCN(CCNc2cc(Nc3cc(O)ccc3C)nc(n2)-n2cnc3ccccc23)CC1

BDBM50311939

CN1CCN(CCNc2cc(ncn2)-n2c(Nc3cc(NC(=O)c4cccc(c4)C(F)(F)F)ccc3C)nc3ccccc23)CC1

BDBM50311892

CN1CCN(CCNc2cc(ncn2)-n2c(Nc3cc(ccc3C)C(=O)Nc3cccc(C)c3)nc3ccccc23)CC1

BDBM50311911

CN1CCN(CCNc2cc(ncn2)-n2c(Nc3cc(ccc3C)C(=O)Nc3cccc(c3)C(F)(F)F)nc3ccccc23)CC1

BDBM50195343

CN1CCN(CCOc2cc(Nc3cc(O)ccc3C)nc(n2)-n2cnc3ccccc23)CC1

BDBM12255

CN1CCN(CCOc2cc(OC3CCOCC3)c3c(Nc4c5OCOc5ccc4Cl)ncnc3c2)CC1

BDBM50374620

CN1CCN(CCOc2ccc(Nc3ncc4c(n3)n3c5ccccc5nc3n(-c3c(C)cccc3C)c4=O)cc2F)CC1 |(15.66,-43.08,;15.65,-44.62,;16.98,-45.4,;16.98,-46.93,;15.64,-47.69,;15.64,-49.23,;16.98,-50,;18.31,-49.23,;19.65,-50,;19.65,-51.55,;20.98,-52.32,;22.3,-51.55,;23.63,-52.32,;24.97,-51.55,;24.97,-50.01,;26.3,-49.24,;27.64,-50,;27.63,-51.55,;26.3,-52.32,;28.97,-52.32,;29.29,-53.82,;28.38,-55.05,;29,-56.46,;30.53,-56.62,;31.43,-55.39,;30.82,-53.99,;31.45,-52.58,;30.31,-51.55,;30.31,-50,;31.65,-49.24,;31.64,-47.7,;30.3,-46.93,;32.97,-46.93,;34.31,-47.7,;34.31,-49.24,;32.97,-50.01,;32.97,-51.55,;28.97,-49.22,;28.97,-47.68,;22.31,-50.01,;20.98,-49.24,;20.99,-47.7,;14.31,-46.93,;14.32,-45.39,)|

BDBM50258822

CN1CCN(CCOc2ccc(cc2)-c2cncc(C#N)c2Nc2ccc3[nH]ccc3c2C)CC1

BDBM50305139

CN1CCN(CCOc2ccc3CCn4nc(c(C(N)=O)c4Nc3c2)-c2ccc(Oc3ccccc3)cc2)CC1

BDBM50305118

CN1CCN(CCOc2ccc3Nc4c(C(N)=O)c(nn4CCc3c2)-c2ccc(Oc3ccccc3)cc2)CC1

BDBM50302507

CN1CCN(CCOc2cccc(\C=C\c3cncc(C#N)c3Nc3ccc4[nH]ccc4c3C)c2)CC1

BDBM387839

CN1CCN(CCn2nc(-c3ccc(C)cc3)c3c(N)ncnc23)CC1

BDBM50021618

CN1CCN(C[C@@H](NC(=O)C[C@H]2CNC(=O)c3cc(cn23)-c2cccc(Cl)c2)C2CCCCC2)CC1 |r|

BDBM50311925

CN1CCN(Cc2cc(nn2C(C)(C)C)C(=O)Nc2ccc(C)c(Nc3nc4ccccc4n3-c3cc(N)ncn3)c2)CC1

BDBM50322535

CN1CCN(Cc2ccc(NC(=O)c3ccc(C)c(c3)C#Cc3cnc4cccnn34)cc2C(F)(F)F)CC1

BDBM50204590

CN1CCN(Cc2ccc(cc2)-c2oc3ncnc(NC[C@@H]4CCCO4)c3c2-c2ccccc2)CC1

BDBM50355495

CN1CCN(Cc2ccc(cc2)C(=O)Nc2ccc(C)c(Nc3nc(cs3)-c3cccnc3)c2)CC1

BDBM13530

CN1CCN(Cc2ccc(cc2)C(=O)Nc2ccc(C)c(Nc3nccc(n3)-c3cccnc3)c2)CC1

BDBM50264990

CN1CCN(Cc2ccc(cc2)C(=O)Nc2ccc(C)c(c2)-c2ccc(cc2)-c2csc(N)n2)CC1

BDBM50265069

CN1CCN(Cc2ccc(cc2)C(=O)Nc2ccc(C)c(c2)-c2ccc(cc2C)-c2nnc(C)o2)CC1

BDBM50265370

CN1CCN(Cc2ccc(cc2)C(=O)Nc2ccc(C)c(c2)-c2ccc3c(N)noc3c2)CC1

BDBM50265287

CN1CCN(Cc2ccc(cc2)C(=O)Nc2ccc(C)c(c2)-c2ccc3ccncc3c2)CC1

BDBM50211223

CN1CCN(Cc2ccc(cc2C(F)(F)F)C(=O)Nc2ccc(C)c(OC3CCN(CC3)C(=O)c3ccc(C)nc3)c2)CC1

BDBM50301686

CN1CCN(Cc2ccc(o2)-c2cccc(C#C)c2Cc2ccc3CC=Cc3c2C)CC1 |c:27|

BDBM50210272

CN1CCN(Cc2ccc-3c(Cc4c-3n[nH]c4-c3csc(c3)C#CCOc3ccccc3)c2)CC1

BDBM50188266

CN1CCN(Cc2ccc3Cc4c(n[nH]c4-c4ccsc4)-c3c2)CC1

BDBM50302042

CN1CCN(Cc2ccc3oc(cc3c2)-c2cncc(C#N)c2Nc2ccc3[nH]ccc3c2C)CC1

BDBM50313569

CN1CCN(Cc2cccc(\C=C\c3cncc(C#N)c3Nc3ccc4[nH]ccc4c3C)n2)CC1

BDBM309801

CN1CCN([C@@H]2CCCN(C2)c2cnc(C(N)=O)c(Nc3ccc(cc3)C3(C)CCN(CC3)C(=O)C3CC3)n2)C1=O |r|

BDBM309794

CN1CCN([C@@H]2CCCN(C2)c2cnc(C(N)=O)c(Nc3ccc(cc3)C3(C)CCN(CC3)C3CC3)n2)C1=O |r|

BDBM309797

CN1CCN([C@@H]2CCCN(C2)c2cnc(C(N)=O)c(Nc3ccc(cc3)C3(C)CCN(CC3)C3CCC3)n2)C1=O |r|

BDBM309798

CN1CCN([C@@H]2CCCN(C2)c2cnc(C(N)=O)c(Nc3ccc(cc3)C3(C)CCN(CC3)C3CCCC3)n2)C1=O |r|

BDBM309796

CN1CCN([C@@H]2CCCN(C2)c2cnc(C(N)=O)c(Nc3ccc(cc3)C3(C)CCN(CC3)C3COC3)n2)C1=O |r|

BDBM309799

CN1CCN([C@@H]2CCCN(C2)c2cnc(C(N)=O)c(Nc3ccc(cc3)C3(C)CCN(CC3)C=O)n2)C1=O |r|

BDBM309804

CN1CCN([C@@H]2CCCN(C2)c2cnc(C(N)=O)c(Nc3ccc(cc3)C3(CCN(CC3)C3CCC3)C#N)n2)C1=O |r|

BDBM309802

CN1CCN([C@@H]2CCCN(C2)c2cnc(C(N)=O)c(Nc3ccc(cc3)C3(CCN(CC3)C3CCCC3)C#N)n2)C1=O |r|

BDBM309803

CN1CCN([C@@H]2CCCN(C2)c2cnc(C(N)=O)c(Nc3ccc(cc3)C3(CCN(CC3)C3CCCC3)C(N)=O)n2)C1=O |r|

BDBM309790

CN1CCN([C@@H]2CCCN(C2)c2cnc(C(N)=O)c(Nc3ccc(cc3)C3CCN(CC3)C3CC3)n2)C1=O |r|

BDBM309789

CN1CCN([C@@H]2CCCN(C2)c2cnc(C(N)=O)c(Nc3ccc(cc3)C3CCN(CC3)C3CCC3)n2)C1=O |r|

BDBM309787

CN1CCN([C@@H]2CCCN(C2)c2cnc(C(N)=O)c(Nc3ccc(cc3)C3CCNCC3)n2)C1=O |r|

BDBM309791

CN1CCN([C@@H]2CCCN(C2)c2cnc(C(N)=O)c(Nc3ccc(cc3)C3CCS(=O)(=O)CC3)n2)C1=O |r|

BDBM309792

CN1CCN([C@@H]2CCCN(C2)c2cnc(C(N)=O)c(Nc3ccccc3)n2)C1=O |r|

BDBM50204575

CN1CCOc2cc(ccc12)-c1oc2ncnc(NCCN3CCNCC3)c2c1-c1ccccc1

BDBM5655

CN1CC[C@@H]([C@H](O)C1)c1c(O)cc(O)c2c1oc(cc2=O)-c1ccccc1Cl |r|

BDBM50330905

CN1C[C@@H]2C[C@H]1CN2c1cc(F)c(c(F)c1)-c1ccnc2c(c(nn12)-c1ccncc1)-c1cccc2[nH]ncc12 |r,wU:3.3,5.4,(24.13,-33.61,;24.13,-35.15,;22.8,-35.94,;22.81,-37.47,;23.89,-36.37,;25.47,-35.92,;25.48,-37.46,;24.14,-38.23,;24.15,-39.77,;22.82,-40.55,;22.83,-42.09,;21.5,-42.86,;24.16,-42.85,;25.5,-42.07,;26.83,-42.84,;25.49,-40.53,;24.17,-44.38,;22.84,-45.15,;22.84,-46.7,;24.17,-47.47,;25.51,-46.7,;26.98,-47.18,;27.89,-45.92,;26.98,-44.67,;25.51,-45.15,;29.43,-45.92,;30.2,-47.26,;31.74,-47.26,;32.51,-45.92,;31.73,-44.58,;30.2,-44.59,;27.46,-48.64,;28.96,-48.96,;29.44,-50.42,;28.41,-51.57,;26.9,-51.25,;25.65,-52.15,;24.41,-51.24,;24.9,-49.78,;26.43,-49.79,)|

BDBM50188344

CN1N(C)c2nc(Nc3ccc(F)cc3)ncc2C=C1c1c(Cl)cccc1Cl |c:20|

BDBM50396071

CNC(=O)COc1cccc(Nc2ncc(F)c(Nc3ccc4OC(F)(F)C(=O)Nc4c3)n2)c1

BDBM50301581

CNC(=O)N1CCCC(C1)C(C)Nc1nccc(n1)-n1cnc2ccccc12

BDBM50375691

CNC(=O)N1CCOc2cc(Oc3ccnc4cc(OC)c(OC)cc34)ccc12

BDBM13240

CNC(=O)Nc1nc(C)c(s1)C(=O)Nc1c(C)cc(C)cc1C

BDBM50129300

CNC(=O)Nc1nc2ccc(cc2s1)C(=O)Nc1c(C)cc(C)cc1C

BDBM50183854

CNC(=O)[C@@H](C)N(C)Cc1cc2c(Nc3cccc(Cl)c3F)ncnc2cc1OC

BDBM50112957

CNC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](Cc1ccc(OP(O)(O)=O)cc1)NC(C)=O

BDBM50112967

CNC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](Cc1ccc(OP(O)(O)=O)cc1)NC(C)=O

BDBM50183845

CNC(=O)[C@H]1CCCN1Cc1cc2c(Nc3cccc(Cl)c3F)ncnc2cc1OC

BDBM27817

CNC(=O)c1c(F)cccc1Nc1nc(Nc2cc3N(CCc3cc2OC)C(=O)CN(C)C)nc2[nH]ccc12

BDBM16673

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

BDBM50375684

CNC(=O)c1cc(Oc2ccc3N(CCOc3c2)C(=O)Nc2ccc(C)cc2)ccn1

BDBM50375687

CNC(=O)c1cc(Oc2ccc3N(CCOc3c2)C(=O)Nc2ccc(Cl)cc2)ccn1

BDBM26028

CNC(=O)c1cc(Oc2ccc3n(C)c(Nc4cccc(c4)C(C)(C)C)nc3c2)ccn1

BDBM17697

CNC(=O)c1cc(Oc2ccc3oc(Nc4ccc(Cl)c(OC[C@@H]5CCCN5C)c4)nc3c2)ccn1 |r|

BDBM50236475

CNC(=O)c1ccc(C)c(NC(=O)c2cnc(NC(C)C)s2)c1

BDBM50376011

CNC(=O)c1cccc2cc(Oc3ccnc4cc(OC)c(OC)cc34)ccc12

BDBM25117

CNC(=O)c1ccccc1Sc1ccc2c(\C=C\c3ccccn3)n[nH]c2c1

BDBM50307507

CNC(=O)c1nn(C)c-2c1CCc1cnc(NC3CCN(CC3)C(=O)C3CCN(CC3)S(C)(=O)=O)nc-21

BDBM50131137

CNCc1cc(Nc2nc3ccc(cc3s2)C(=O)Nc2c(C)cccc2Cl)nc(C)n1

BDBM50131157

CNN1CCN(Cc2ccnc(Nc3nc4ccc(cc4s3)C(=O)Nc3c(C)cccc3Cl)c2)CC1

BDBM50137573

CNS(=O)(=O)c1ccc2NC(=O)\C(=C/c3[nH]c4CCCCc4c3CCC(N)=O)c2c1

BDBM50137571

CNS(=O)(=O)c1ccc2NC(=O)\C(=C/c3[nH]c4CCCCc4c3CCCN(C)C)c2c1

BDBM50137576

CNS(=O)(=O)c1ccc2NC(=O)\C(=C/c3[nH]c4CCCCc4c3CCCN3CCC(O)CC3)c2c1

BDBM50137574

CNS(=O)(=O)c1ccc2NC(=O)\C(=C/c3[nH]c4CCCCc4c3CCCN3CCN(C)CC3)c2c1

BDBM50137582

CNS(=O)(=O)c1ccc2NC(=O)\C(=C/c3[nH]c4CCCCc4c3CCCN3CCN(CC(O)=O)CC3)c2c1

BDBM50137583

CNS(=O)(=O)c1ccc2NC(=O)\C(=C/c3[nH]c4CCCCc4c3CCCN3CCN(CCO)CC3)c2c1

BDBM50137580

CNS(=O)(=O)c1ccc2NC(=O)\C(=C/c3[nH]c4CCCCc4c3CCCN3CCOCC3)c2c1

BDBM50137587

CNS(=O)(=O)c1ccc2NC(=O)\C(=C/c3[nH]c4CCCCc4c3CN3CCOCC3)c2c1

BDBM139540

CN[C@@H]1CC2OC([C@@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13 |r|

BDBM50059889

CN[C@@H]1CC2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13

BDBM2579

CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13 |r|

BDBM31096

CN[C@H]1C[C@@H]2O[C@](C)([C@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13

BDBM50195346

CNc1cc(Nc2cc(O)ccc2C)nc(n1)-n1cnc2ccccc12

BDBM50131131

CNc1cc(Nc2nc3ccc(cc3s2)C(=O)Nc2c(C)cccc2Cl)ncn1

BDBM35320

CNc1cc(ncn1)-c1cccnc1Nc1c(C)ccc2c(Nc3ccc(Cl)cc3)nccc12

BDBM35321

CNc1cc(ncn1)-c1cccnc1Nc1c(C)ccc2c(Nc3ccc(cc3)C#N)nccc12

BDBM35323

CNc1cc(ncn1)-c1cccnc1Nc1c(C)ccc2c(Nc3ccc4sc(C)nc4c3)nccc12

BDBM35322

CNc1cc(ncn1)-c1cccnc1Nc1c(C)ccc2c(Nc3cccc(c3)C#C)nccc12

BDBM50545614

CNc1cc(ncn1)N(C)C1CCCCC1

BDBM50186534

CNc1cc(ncn1)N(CCCN(C)C)C(=O)Nc1c(Cl)cccc1Cl

BDBM50241733

CNc1cccc(c1)-c1n[nH]c(NCc2c(F)cccc2Cl)n1

BDBM50341519

CNc1cncc(n1)-c1c[nH]c(=O)c(NC(=O)c2ccc(cc2)N2CCC[C@H]2CN2CCCC2)c1 |r|

BDBM50512333

CNc1cncc(n1)-c1c[nH]c2nc(Nc3ccc(cc3)N3CCOCC3)nc(OC3CCN(CC3)C(=O)C=C)c12

BDBM50425008

CNc1nc(C)c(s1)-c1nc(Nc2cccc(c2)N2CCCNCC2)ncc1C#N

BDBM50372716

CNc1ncc(C(=O)Nc2cc(ccc2C)C(=O)Nc2cccc(c2)C(F)(F)F)c(OC)n1

BDBM50372712

CNc1ncc(C(=O)Nc2cc(ccc2C)C(=O)Nc2cccc(c2)C(F)(F)F)c(Oc2ccccc2)n1

BDBM50372715

CNc1ncc(C(=O)Nc2cc(ccc2C)C(=O)Nc2cccc(c2C)C(F)(F)F)c(OC)n1

BDBM50372708

CNc1ncc(C(=O)Nc2cc(ccc2C)C(=O)Nc2cccc(c2F)C(F)(F)F)c(NC)n1

BDBM50372710

CNc1ncc(C(=O)Nc2cc(ccc2C)C(=O)Nc2cccc(c2F)C(F)(F)F)c(OC)n1

BDBM50188346

CNc1ncc2C=C(N3N(CCC3=O)c2n1)c1c(Cl)cccc1Cl |c:6|

BDBM50148921

CNc1ncc2cc(-c3ccc(cc3Cl)-c3cccc(C)n3)c(=O)n(C[C@H]3OC[C@H](N)CO3)c2n1 |r,wU:26.27,wD:29.31,(-5.08,.92,;-4.02,1.54,;-2.68,.77,;-2.68,-.77,;-1.33,-1.54,;,-.77,;1.33,-1.54,;2.66,-.77,;4,-1.54,;3.99,-3.08,;5.33,-3.85,;6.66,-3.08,;6.66,-1.54,;5.33,-.77,;5.33,.46,;7.99,-3.86,;9.33,-3.09,;10.66,-3.86,;10.66,-5.4,;9.32,-6.17,;9.32,-7.4,;7.99,-5.4,;2.66,.77,;3.73,1.38,;1.33,1.54,;1.33,3.08,;2.67,3.85,;2.68,5.39,;4.01,6.15,;5.34,5.38,;6.41,5.99,;5.34,3.84,;4,3.07,;,.77,;-1.33,1.54,)|

BDBM35325

CNc1ncc2cc(ccc2n1)-c1c(C)ccc2c(Nc3cc(nn3C)C(C)(C)C)nccc12

BDBM35324

CNc1ncc2cc(ccc2n1)-c1c(C)ccc2c(Nc3ccc(Cl)cc3)nccc12

BDBM35326

CNc1ncc2cc(ccc2n1)-c1c(C)ccc2c(Nc3ccc4c(NC(=O)C4(C)C)c3)nccc12

BDBM50194690

CNc1ncc2cc(ccc2n1)-c1cc(C(=O)Nc2cccc(c2)C(F)(F)F)c(F)cc1C

BDBM50194676

CNc1ncc2cc(ccc2n1)-c1cc(NC(=O)Nc2cccc(c2)C(F)(F)F)ccc1C

BDBM50194691

CNc1ncc2cc(ccc2n1)-c1cc(NC(=O)c2cccc(c2)C(F)(F)F)ccc1C

BDBM50194682

CNc1ncc2cc(ccc2n1)-c1cc(Nc2nc3ccc(cc3[nH]2)C(F)(F)F)ccc1C

BDBM50194685

CNc1ncc2cc(ccc2n1)-c1cc(ccc1C)C(=O)Nc1cc(ccc1N1CC(C)(C)C1=O)C(F)(F)F

BDBM50194669

CNc1ncc2cc(ccc2n1)-c1cc(ccc1C)C(=O)Nc1cc(ccc1N1CCCCC1)C(F)(F)F

BDBM50194697

CNc1ncc2cc(ccc2n1)-c1cc(ccc1C)C(=O)Nc1cc(ccc1N1CCN(C)C1=O)C(F)(F)F

BDBM50194686

CNc1ncc2cc(ccc2n1)-c1cc(ccc1C)C(=O)Nc1cc(ccc1NC(=O)NCCN1CCOCC1)C(F)(F)F

BDBM50194671

CNc1ncc2cc(ccc2n1)-c1cc(ccc1C)C(=O)Nc1cc(ccc1OC1CCN(C)CC1)C(F)(F)F

BDBM50194681

CNc1ncc2cc(ccc2n1)-c1cc(ccc1C)C(=O)Nc1ccc(Cl)c(c1)C(F)(F)F

BDBM50194689

CNc1ncc2cc(ccc2n1)-c1cc(ccc1C)C(=O)Nc1ccc(Cl)c(c1C)C(F)(F)F

BDBM50194674

CNc1ncc2cc(ccc2n1)-c1cc(ccc1C)C(=O)Nc1ccc(OC2CCN(C)CC2)cc1

BDBM35317

CNc1ncc2cc(ccc2n1)-c1cc(ccc1C)C(=O)Nc1cccc(c1)C(F)(F)F

BDBM50194684

CNc1ncc2cc(ccc2n1)-c1cc(ccc1C)C(=O)Nc1cccc(c1C)C(F)(F)F

BDBM50194694

CNc1ncc2cc(ccc2n1)-c1cc(ccc1C)C(=O)Nc1cccc2CCCc12

BDBM50194687

CNc1ncc2cc(ccc2n1)-c1cccc(c1)C(=O)Nc1cccc(c1)C(F)(F)F

BDBM50131166

CNc1nccc(Nc2nc3ccc(cc3s2)C(=O)Nc2c(C)cccc2Cl)n1

BDBM50266221

CNc1nccc(n1)-c1cccnc1Oc1c(C)cc(Nc2nc3ccccc3[nH]2)c2ccccc12

BDBM50319569

CNc1nccc(n1)-c1cccnc1Oc1ccc(NC(=O)NC(C)(C)C)c2ccccc12

BDBM50266149

CNc1nccc(n1)-c1cccnc1Oc1ccc(NC(=O)Nc2ccccc2)c2ccccc12

BDBM50326198

CNc1nccc(n1)-c1cccnc1Oc1ccc(NC(=O)c2cccc(c2)C(F)(F)F)cc1C

BDBM50266185

CNc1nccc(n1)-c1cccnc1Oc1ccc(Nc2nc3ccc(cc3[nH]2)C(F)(F)F)c2ccccc12

BDBM50266148

CNc1nccc(n1)-c1cccnc1Oc1ccc(Nc2nc3ccccc3[nH]2)c2ccccc12

BDBM50266187

CNc1nccc(n1)-c1cccnc1Oc1ccc(Nc2nc3ccccc3o2)c2ccccc12

BDBM50266188

CNc1nccc(n1)-c1cccnc1Oc1ccc(Nc2nc3ccccc3s2)c2ccccc12

BDBM50319574

CNc1nccc(n1)-c1cccnc1Oc1ccc(Nc2nc3ccncc3[nH]2)c2ccccc12

BDBM50207854

CNc1ncnc(n1)-c1cccnc1Oc1cc(NC(=O)c2cccc(OC(F)(F)C(F)F)c2)ccc1C

BDBM50209148

COC(=O)C(=O)Nc1cccc-2c1Cc1c-2n[nH]c1-c1csc(c1)C#CCOc1ccccc1

BDBM50126731

COC(=O)C=Cc1[nH]c(=O)c2c3n(C)c(Nc4c(Cl)cccc4Cl)nc3ccc2c1C |w:4.3|

BDBM50011433

COC(=O)CC(=O)c1c(O)cc(OCc2ccccc2)cc1OCc1ccccc1

BDBM50011435

COC(=O)CC(=O)c1cc(OC)ccc1O

BDBM50011453

COC(=O)CC(=O)c1ccc(O)c(O)c1O

BDBM50011451

COC(=O)CC(=O)c1ccc(OC)cc1O

BDBM50011449

COC(=O)CC(=O)c1ccccc1O

BDBM50126729

COC(=O)CCc1[nH]c(=O)c2c3n(C)c(Nc4c(Cl)cccc4Cl)nc3ccc2c1C

BDBM50097971

COC(=O)CN1CCC(CC1)n1cc(-c2cccc(O)c2)c2c(N)ncnc12

BDBM50538508

COC(=O)Nc1ccc(cc1)-c1c(OC2CCN(C)CC2)nc2c(cnn2c1N)-c1ccc(OC)c(OC)c1

BDBM13222

COC(=O)Nc1nc(C)c(s1)C(=O)Nc1c(C)cc(C)cc1C

BDBM50133498

COC(=O)[C@@H](Cc1ccc(O)c(O)c1)N(C)C(=O)\C=C\c1ccc(O)c(O)c1

BDBM50133497

COC(=O)[C@@H](Cc1ccc(O)c(O)c1)NC(=O)NCc1ccc(O)c(O)c1

BDBM50133500

COC(=O)[C@@H](Cc1ccc(O)c(O)c1)NC(=O)\C=C\c1ccc(O)c(O)c1

BDBM50133499

COC(=O)[C@@H](Cc1ccc(O)c(O)c1)NC(=S)C=Cc1ccc(O)c(O)c1 |w:18.19|

BDBM50133494

COC(=O)[C@@H](Cc1ccc(O)c(O)c1)NC\C=C\c1ccc(O)c(O)c1

BDBM50295811

COC(=O)[C@]1(O)Cn2c3ccccc3c3c4C(=O)NC(=O)c4c4c5ccccc5n(C[C@H]1O)c4c23 |r|

BDBM50126759

COC(=O)c1c(C)[nH]c(=O)c2c3n(C)c(Nc4c(Cl)cccc4Cl)nc3ccc12

BDBM50011460

COC(=O)c1c(oc2cc(OC)ccc2c1=O)-c1ccc(NC(C)=O)cc1

BDBM50011426

COC(=O)c1c(oc2cc(OC)ccc2c1=O)-c1ccc(O)cc1

BDBM50011445

COC(=O)c1c(oc2cc(OC)ccc2c1=O)-c1ccc(OCc2ccccc2)cc1

BDBM50011444

COC(=O)c1c(oc2cc(OC)ccc2c1=O)-c1ccc(cc1)[N+]([O-])=O

BDBM50011423

COC(=O)c1c(oc2cc(OCc3ccccc3)cc(OCc3ccccc3)c2c1=O)-c1ccc(cc1)[N+]([O-])=O

BDBM50011431

COC(=O)c1c(oc2ccc(OC)cc2c1=O)-c1ccc(NC(C)=O)cc1

BDBM50011456

COC(=O)c1c(oc2ccc(OC)cc2c1=O)-c1ccc(O)cc1

BDBM50011454

COC(=O)c1c(oc2ccc(OC)cc2c1=O)-c1ccc(OCc2ccccc2)cc1

BDBM50011419

COC(=O)c1c(oc2ccc(OC)cc2c1=O)-c1ccc(cc1)[N+]([O-])=O

BDBM50011447

COC(=O)c1c(oc2ccccc2c1=O)-c1cc(OC)c(OC)c(OC)c1

BDBM50011443

COC(=O)c1c(oc2ccccc2c1=O)-c1cc(OC)cc(OC)c1

BDBM50011434

COC(=O)c1c(oc2ccccc2c1=O)-c1ccc(Br)cc1

BDBM50011416

COC(=O)c1c(oc2ccccc2c1=O)-c1ccc(N)cc1

BDBM50011448

COC(=O)c1c(oc2ccccc2c1=O)-c1ccc(NC(=O)c2cc(OC)c(OC)c(OC)c2)cc1

BDBM50011455

COC(=O)c1c(oc2ccccc2c1=O)-c1ccc(O)cc1

BDBM50011425

COC(=O)c1c(oc2ccccc2c1=O)-c1ccc(OC)c(OC)c1

BDBM50011452

COC(=O)c1c(oc2ccccc2c1=O)-c1ccc(OC)cc1

BDBM50011461

COC(=O)c1c(oc2ccccc2c1=O)-c1ccc(OCc2ccccc2)cc1

BDBM50011457

COC(=O)c1c(oc2ccccc2c1=O)-c1ccc(cc1)[N+]([O-])=O

BDBM50129340

COC(=O)c1cc(C)c(NC(=O)c2ccc3nc(NC(=O)OC(C)(C)C)sc3c2)c(C)c1

BDBM50172492

COC(=O)c1cc2cc(NCc3cc(NC(=O)c4cc(cc(c4)C(F)(F)F)-n4cnc(C)c4)ccc3C)cnc2[nH]1

BDBM50029222

COC(=O)c1cc2ccc(O)c(O)c2cn1

BDBM50188350

COC(=O)c1ccc(Nc2ncc3C=C(N4N(CCC4=O)c3n2)c2c(Cl)cccc2Cl)cc1 |c:13|

BDBM50279080

COC(=O)c1ccc2C(C(=Nc3ccc(cc3)N(C)C(=O)CN3CCN(C)CC3)c3ccccc3)C(=O)Nc2c1 |w:10.10|

BDBM50026612

COC(=O)c1ccc2\C(=C(\Nc3ccc(cc3)N(C)C(=O)CN3CCN(C)CC3)c3ccccc3)C(=O)Nc2c1

BDBM50029224

COC(=O)c1ccc2c(O)c(O)ccc2c1

BDBM50120100

COC(=O)c1ccc2nc(Nc3c(C)cccc3Cl)c3cncn3c2c1

BDBM50145901

COC(=O)c1cccc2c1nc(Nc1c(C)cccc1Cl)c1cncn21

BDBM309635

COC(=O)c1ccccc1CN[C@@H]1CCCN(C1)c1nnc(C(N)=O)c(Nc2ccc(cc2)C(=O)N2CCOCC2)n1 |r|

BDBM50245853

COC(C)(C)CCn1nc(Nc2c(C)cccc2C)c2cnc(Nc3ccc(OCCN4CCCC4)c(F)c3)nc12

BDBM50245852

COC(C)(C)CCn1nc(Nc2c(C)cccc2C)c2cnc(Nc3ccc(OCCN4CCCC4)cc3)nc12

BDBM50354441

COC1CCN(CC1)C(=O)c1ccc(Nc2nc(C)cn3c(cnc23)-c2cn[nH]c2)cc1Cl

BDBM387836

COC1CCN(CCn2nc(-c3ccc(NC(=O)OC(C)(C)C)c(OC)c3)c3c(N)ncnc23)CC1

BDBM340088

COCC#CC(=O)N1CCC[C@H]1c1nc(-c2ccc(cc2)C(=O)Nc2ccccn2)c2c(N)nccn12 |r|

BDBM109904

COCC(=O)N1CCCC11CCCN(C1)c1ncnc2[nH]ccc12

BDBM267959

COCC(=O)N1CCC[C@H](C1)c1nc(-c2ccc(cc2F)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)nccn12 |r|

BDBM267935

COCC(=O)N1CCO[C@H](C1)c1nc(-c2ccc(cc2F)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)nccn12 |r|

BDBM31340

COCC(=O)NC\C=C\c1ccc2ncnc(Nc3ccc(Oc4ccc(C)nc4)c(C)c3)c2c1

BDBM50209150

COCC(=O)Nc1cccc-2c1Cc1c-2n[nH]c1-c1csc(c1)C#CCOc1ccccc1

BDBM464420

COCC(C)(C)n1cc(C(=O)Nc2cc(C)[nH]n2)c2c(N)ncnc12

BDBM50376004

COCCCNC(=O)c1cccc2cc(Oc3ccnc4cc(OC)c(OC)cc34)ccc12

BDBM50183838

COCCN(Cc1cc2c(Nc3cccc(Cl)c3F)ncnc2cc1OC)[C@@H](C)C(N)=O

BDBM50183856

COCCN1CC(C1)(N(C)Cc1cc2c(Nc3cccc(Cl)c3F)ncnc2cc1OC)C(N)=O

BDBM50320219

COCCN1CCN(CC1)c1ccc(cc1)-c1cnn2c(N)c(cnc12)-c1ccc(NC(=O)OCC(C)C)cc1

BDBM50376005

COCCNC(=O)c1cccc2cc(Oc3ccnc4cc(OC)c(OC)cc34)ccc12

BDBM50097959

COCCNCCN1CCC(CC1)n1cc(-c2cccc(OC)c2)c2c(N)ncnc12

BDBM50311895

COCCNc1cc(ncn1)-n1c(Nc2cc(NC(=O)c3cccc(c3)C(F)(F)F)ccc2C)nc2ccccc12

BDBM50210271

COCCOCC#Cc1cc(cs1)-c1[nH]nc-2c1Cc1ccc(Cn3cncn3)cc-21

BDBM50209144

COCCOCC(=O)Nc1cccc-2c1Cc1c-2n[nH]c1-c1csc(c1)C#CCOc1ccccc1

BDBM50300027

COCCOc1cc2ncnc(Nc3ccc(F)c(Cl)c3F)c2cc1NC(=O)[C@@H]1CCCN1C(=O)C=C |r|

BDBM50300026

COCCOc1cc2ncnc(Nc3cccc(Cl)c3F)c2cc1NC(=O)[C@@H]1CCCN1C(=O)C=C |r|

BDBM5446

COCCOc1cc2ncnc(Nc3cccc(c3)C#C)c2cc1OCCOC

BDBM309721

COCCOc1ccc(Nc2nc(cnc2C(N)=O)N2CCC[C@H](C2)NC(=O)N(C)C)cc1 |r|

BDBM309643

COCCOc1ccc(Nc2nc(cnc2C(N)=O)N2CCC[C@H](C2)NC(=O)c2ccc(OC)cc2)cc1 |r|

BDBM50593034

COCCOc1ccnc(c1)C#Cc1ccc2c3c(oc2c1)C(C)(C)c1cc(OCCN2CCOCC2)ccc1C3=O

BDBM50183853

COCC[C@H](N(C)Cc1cc2c(Nc3cccc(Cl)c3F)ncnc2cc1OC)C(N)=O

BDBM50183843

COC[C@H](N(C)Cc1cc2c(Nc3cccc(Cl)c3F)ncnc2cc1OC)C(N)=O

BDBM340166

COC\C=C\C(=O)N(C)[C@@H](C)c1nc(-c2ccc(cc2)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)nccn12 |r|

BDBM340108

COC\C=C\C(=O)N1CCCCCC1c1nc(-c2ccc(cc2)C(=O)Nc2ccccn2)c2c(N)nccn12

BDBM484651

COC\C=C\C(=O)N1CCCCC[C@H]1c1nc(-c2ccc(cc2)C(=O)Nc2ccccn2)c2c(N)nccn12 |r|

BDBM340101

COC\C=C\C(=O)N1CCCC[C@H]1c1nc(-c2ccc(cc2)C(=O)Nc2cc(F)ccn2)c2c(N)nccn12 |r|

BDBM340175

COC\C=C\C(=O)N1CCCC[C@H]1c1nc(-c2ccc(cc2)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)nccn12 |r|

BDBM340128

COC\C=C\C(=O)N1CCCC[C@H]1c1nc(-c2ccc(cc2)C(=O)Nc2ccccn2)c2c(N)nccn12 |r|

BDBM340069

COC\C=C\C(=O)N1CCCC[C@H]1c1nc(-c2ccc(cc2)C(=O)Nc2cccnn2)c2c(N)nccn12 |r|

BDBM340072

COC\C=C\C(=O)N1CCCC[C@H]1c1nc(-c2ccc(cc2)C(=O)Nc2ccncn2)c2c(N)nccn12 |r|

BDBM340066

COC\C=C\C(=O)N1CCCC[C@H]1c1nc(-c2ccc(cc2)C(=O)Nc2ccon2)c2c(N)nccn12 |r|

BDBM340074

COC\C=C\C(=O)N1CCCC[C@H]1c1nc(-c2ccc(cc2)C(=O)Nc2nccc(C)n2)c2c(N)nccn12 |r|

BDBM340067

COC\C=C\C(=O)N1CCCC[C@H]1c1nc(-c2ccc(cc2)C(=O)Nc2ncccn2)c2c(N)nccn12 |r|

BDBM340071

COC\C=C\C(=O)N1CCCC[C@H]1c1nc(-c2ccc(cc2C)C(=O)Nc2ccccn2)c2c(N)nccn12 |r|

BDBM340064

COC\C=C\C(=O)N1CCC[C@H]1c1nc(-c2ccc(C(=O)Nc3ccccn3)c(F)c2)c2c(N)nccn12 |r|

BDBM340111

COC\C=C\C(=O)N1CCC[C@H]1c1nc(-c2ccc(C(=O)Nc3ccccn3)c(OC)c2)c2c(N)nccn12 |r|

BDBM340092

COC\C=C\C(=O)N1CCC[C@H]1c1nc(-c2ccc(cc2)C(=O)Nc2cc(C)ccn2)c2c(N)nccn12 |r|

BDBM340065

COC\C=C\C(=O)N1CCC[C@H]1c1nc(-c2ccc(cc2)C(=O)Nc2cc(F)ccn2)c2c(N)nccn12 |r|

BDBM340090

COC\C=C\C(=O)N1CCC[C@H]1c1nc(-c2ccc(cc2)C(=O)Nc2cc(OC)ccn2)c2c(N)nccn12 |r|

BDBM340109

COC\C=C\C(=O)N1CCC[C@H]1c1nc(-c2ccc(cc2)C(=O)Nc2cc(ccn2)C#N)c2c(N)nccn12 |r|

BDBM340093

COC\C=C\C(=O)N1CCC[C@H]1c1nc(-c2ccc(cc2)C(=O)Nc2cc(ccn2)C(C)C)c2c(N)nccn12 |r|

BDBM340191

COC\C=C\C(=O)N1CCC[C@H]1c1nc(-c2ccc(cc2)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)nccn12 |r|

BDBM340081

COC\C=C\C(=O)N1CCC[C@H]1c1nc(-c2ccc(cc2)C(=O)Nc2ccccn2)c2c(N)nccn12 |r|

BDBM340102

COC\C=C\C(=O)N1CCC[C@H]1c1nc(-c2ccc(cc2)C(=O)Nc2nc3CCCCc3s2)c2c(N)nccn12 |r|

BDBM340183

COC\C=C\C(=O)N1CCOC[C@H]1c1nc(-c2ccc(cc2)C(=O)Nc2ccccn2)c2c(N)nccn12 |r|

BDBM340106

COC\C=C\C(=O)NCc1nc(-c2ccc(cc2)C(=O)Nc2ccccn2)c2c(N)nccn12

BDBM50092258

COCc1c(-c2ccc(Oc3ccccc3)cc2)c2c(N)ncnc2n1C1CCCC1

BDBM50168387

CONC(=O)c1cc(Nc2ncnn3cc(-c4nnc(C)o4)c(C(C)C)c23)c(F)cc1F

BDBM50168402

CONC(=O)c1cc(Nc2ncnn3cc(-c4nnc(o4)C(F)(F)S(C)(=O)=O)c(C(C)C)c23)c(F)cc1F

BDBM50168403

CONC(=O)c1cc(Nc2ncnn3cc(-c4nnc(o4)C(F)F)c(C(C)C)c23)c(F)cc1F

BDBM50168392

CONC(=O)c1cc(Nc2ncnn3cc(NC(=O)OCC4CCCO4)c(C(C)C)c23)c(F)cc1F

BDBM50168389

CONC(=O)c1cc(Nc2ncnn3cc(NC(=O)OCCCS(C)(=O)=O)c(C(C)C)c23)c(F)cc1F

BDBM16316

CONC(=O)c1ccc(C)c(Nc2nc(nc(n2)N2CCCN(C)CC2)N(C)CC(C)(C)C)c1

BDBM50183857

CO[C@@H]1C[C@@H](N(Cc2cc3c(Nc4cccc(Cl)c4F)ncnc3cc2OC)C1)C(N)=O

BDBM50326053

CO[C@@H]1[C@@H](C[C@H]2O[C@]1(C)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13)N(C)C(=O)c1ccccc1 |r|

BDBM50326054

CO[C@@H]1[C@@H](C[C@H]2O[C@]1(C)n1c3ccccc3c3c4[C@H](O)NC(=O)c4c4c5ccccc5n2c4c13)N(C)C(=O)c1ccccc1 |r|

BDBM50145935

CO[n+]1c(Nc2c(C)cccc2Cl)c2cncn2c2ccccc12

BDBM50468033

CO\C=C\C(=O)c1cc2C=Nc3c(N)cc(NC(=O)C(C)C)c(n1)c23 |c:9|

BDBM50486137

COc1c(Br)cc(C[C@H](C([O-])=O)[N+](C)(C)C)cc1I |r|

BDBM50282837

COc1c(Br)cc(\C=C(/C#N)c2ccccn2)cc1Br

BDBM50282842

COc1c(Br)cc(\C=C(/C#N)c2cccnc2)cc1Br

BDBM50366492

COc1c(C=O)c(O)cc2C(=O)c3ccccc3C(=O)c12

BDBM50309910

COc1c(Cl)cc2c3ccncc3[nH]c2c1NC(=O)c1cccnc1C

BDBM408606

COc1c(F)cccc1Oc1ccc(cc1)-n1c2cnccc2n([C@@H]2CCN(C2)C(=O)C=C)c1=O

BDBM50486139

COc1c(I)cc(C[C@H](C([O-])=O)[N+](C)(C)C)cc1I |r|

BDBM50486142

COc1cc(Br)c(C[C@H](C([O-])=O)[N+](C)(C)C)c(Br)c1 |r|

BDBM50472533

COc1cc(Br)c(cc1OC)C(O)=O

BDBM50186460

COc1cc(C)c(Sc2cnc(NC(=O)c3ccc(CNC(C)C(C)(C)C)cc3)s2)cc1C(=O)N1CCN(CC1)C(C)=O

BDBM50289296

COc1cc(C)ccc1Oc1nc(Nc2ccc(cc2)N2CCOCC2)ncc1NC(=O)Nc1c(Cl)cccc1Cl

BDBM50289340

COc1cc(C)ccc1Oc1nc(Nc2ccc(cc2)N2CCOCC2)ncc1NC(=O)Nc1cc(Cl)cc(Cl)c1

BDBM50288851

COc1cc(C)ccc1Oc1nc(Nc2ccc(cc2)N2CCOCC2)ncc1NC(=O)Nc1cc(cc(c1)C(F)(F)F)C(F)(F)F

BDBM50289145

COc1cc(C)ccc1Oc1nc(Nc2ccc(cc2)N2CCOCC2)ncc1NCc1cc(cc(c1)C(F)(F)F)C(F)(F)F

BDBM50289495

COc1cc(C)ccc1Oc1nc(Nc2ccc(cc2)N2CCOCC2)ncc1NCc1ccc(Cl)cc1

BDBM50289147

COc1cc(C)ccc1Oc1nc(Nc2ccc(cc2)N2CCOCC2)ncc1NCc1ccc(OC(F)(F)F)cc1

BDBM50289146

COc1cc(C)ccc1Oc1nc(Nc2ccc(cc2)N2CCOCC2)ncc1NCc1cccc(OC(F)(F)F)c1

BDBM50289129

COc1cc(C)ccc1Oc1nc(Nc2ccc(cc2)N2CCOCC2)ncc1\N=C\c1cc(Cl)cc(Cl)c1

BDBM50289144

COc1cc(C)ccc1Oc1nc(Nc2ccc(cc2)N2CCOCC2)ncc1\N=C\c1cc(cc(c1)C(F)(F)F)C(F)(F)F

BDBM50289119

COc1cc(C)ccc1Oc1nc(Nc2ccc(cc2)N2CCOCC2)ncc1\N=C\c1ccc(Cl)cc1

BDBM50288951

COc1cc(C)ccc1Oc1nc(Nc2ccc(cc2)N2CCOCC2)ncc1\N=C\c1cccc(Cl)c1

BDBM50289131

COc1cc(C)ccc1Oc1nc(Nc2ccc(cc2)N2CCOCC2)ncc1\N=C\c1cccc(OC(C)C)c1

BDBM50289130

COc1cc(C)ccc1Oc1nc(Nc2ccc(cc2)N2CCOCC2)ncc1\N=C\c1cccc(OC(F)(F)F)c1

BDBM50288938

COc1cc(C)ccc1Oc1nc(Nc2ccc(cc2)N2CCOCC2)ncc1\N=C\c1ccccc1Cl

BDBM50279882

COc1cc(CCc2cccnc2)cc(OC)c1OC

BDBM50279913

COc1cc(CN=Nc2ccccc2)ccc1O |w:7.7|

BDBM50279888

COc1cc(CNc2ccccn2)cc(OC)c1

BDBM50279894

COc1cc(CNc2ccccn2)cc(OC)c1OC

BDBM50037401

COc1cc(N)c2oc(cc(=O)c2c1)-c1ccc(N)cc1

BDBM50037392

COc1cc(N)c2oc(cc(=O)c2c1)-c1cccc(N)c1

BDBM50289215

COc1cc(NC(=O)Nc2cnc(Nc3cc(OC)cc(OC)c3)nc2Oc2ccc(C)cc2OC)cc(OC)c1

BDBM50289148

COc1cc(NC(=O)Nc2cnc(Nc3ccc(cc3)N3CCOCC3)nc2Oc2ccc(C)cc2OC)cc(OC)c1

BDBM50288850

COc1cc(NC(=O)Nc2cnc(Nc3ccc(cc3)N3CCOCC3)nc2Oc2ccc(F)cc2)cc(OC)c1

BDBM50288849

COc1cc(NC(=O)Nc2cnc(Nc3ccc(cc3)N3CCOCC3)nc2Oc2ccc(cc2)C(F)(F)F)cc(OC)c1

BDBM4552

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

BDBM50195344

COc1cc(Nc2cc(O)ccc2C)nc(n1)-n1cnc2ccccc12

BDBM298375

COc1cc(Nc2cc(Oc3ccc(NC(=O)Nc4cc(cc(NS(C)(=O)=O)c4OC)C(C)(C)C)c4ccccc34)ccn2)ccc1C(=O)NCCN1CCOCC1

BDBM255476

COc1cc(Nc2cc(Oc3ccc(NC(=O)Nc4cc(cc(NS(C)(=O)=O)c4OC)C(C)(C)C)c4ccccc34)ccn2)ccc1C(O)=O

BDBM298446

COc1cc(Nc2cc(Oc3ccc(NC(=O)Nc4cc(cc(NS(C)(=O)=O)c4OC)C(C)(C)C)c4ccccc34)ccn2)ccc1P(C)(O)=O

BDBM6511

COc1cc(Nc2ccnc3cc(OC)c(OC)cc23)cc(OC)c1OC

BDBM50524289

COc1cc(Nc2ccnc3ccc(cc23)C(F)(F)F)cc(OC)c1OC

BDBM50570681

COc1cc(Nc2nc(NCc3cccc(NC(=O)CCl)c3)n3ccnc3c2C(N)=O)cc(OC)c1

BDBM50249254

COc1cc(Nc2nc(N[C@H]3CCCC[C@H]3N)n3cnnc3c2C(N)=O)cc(OC)c1 |r|

BDBM50249539

COc1cc(Nc2nc(N[C@H]3CCCC[C@H]3N)n3ncnc3c2C(N)=O)cc(OC)c1 |r|

BDBM50131120

COc1cc(Nc2nc3ccc(cc3s2)C(=O)Nc2c(C)cccc2Cl)ncn1

BDBM60665

COc1cc(Nc2ncc(F)c(Nc3ccc4OC(C)(C)C(=O)Nc4n3)n2)cc(OC)c1OC

BDBM50289217

COc1cc(Nc2ncc(NC(=O)Nc3c(Cl)cccc3Cl)c(Oc3ccc(C)cc3OC)n2)cc(OC)c1

BDBM50289196

COc1cc(Nc2ncc(NC(=O)c3cc(OC)cc(OC)c3)c(Oc3ccc(C)cc3OC)n2)cc(OC)c1

BDBM50277545

COc1cc(Nc2ncc3CN=C(c4cc(Cl)ccc4-c3n2)c2c(F)cccc2OC)ccc1C(O)=O |c:11|

BDBM50374609

COc1cc(Nc2ncc3c(n2)n2c(nc4ccccc24)n(-c2c(C)cccc2C)c3=O)cc(OC)c1OC |(-10.47,-11.17,;-9.13,-11.93,;-7.8,-11.16,;-6.47,-11.93,;-5.15,-11.16,;-3.81,-11.93,;-2.48,-11.16,;-2.48,-9.62,;-1.15,-8.85,;.19,-9.61,;.19,-11.16,;-1.15,-11.93,;1.53,-11.93,;2.86,-11.16,;4,-12.19,;3.37,-13.6,;3.99,-15,;3.09,-16.23,;1.55,-16.07,;.94,-14.66,;1.85,-13.43,;2.86,-9.61,;4.2,-8.84,;4.19,-7.31,;2.86,-6.54,;5.52,-6.54,;6.86,-7.31,;6.86,-8.85,;5.53,-9.62,;5.52,-11.16,;1.52,-8.83,;1.52,-7.29,;-5.13,-9.62,;-6.46,-8.84,;-6.46,-7.3,;-5.13,-6.54,;-7.8,-9.61,;-9.13,-8.84,;-10.47,-9.61,)|

BDBM50374616

COc1cc(Nc2ncc3c(n2)n2c4ccccc4nc2n(-c2c(C)cccc2C)c3=O)cc(OC)c1OCCCN1CCN(C)CC1 |(22.25,-6.46,;20.92,-7.23,;20.91,-8.77,;22.24,-9.54,;22.23,-11.08,;23.56,-11.85,;24.9,-11.08,;24.9,-9.54,;26.23,-8.77,;27.57,-9.53,;27.57,-11.08,;26.23,-11.85,;28.9,-11.85,;29.22,-13.35,;28.31,-14.58,;28.93,-15.99,;30.46,-16.16,;31.37,-14.92,;30.75,-13.52,;31.38,-12.12,;30.24,-11.08,;30.24,-9.53,;31.58,-8.77,;31.57,-7.23,;30.24,-6.47,;32.9,-6.46,;34.24,-7.23,;34.24,-8.78,;32.9,-9.54,;32.9,-11.08,;28.9,-8.76,;28.9,-7.22,;20.91,-11.85,;19.58,-11.08,;18.25,-11.86,;18.25,-13.4,;19.58,-9.54,;18.24,-8.77,;16.91,-9.54,;15.58,-8.77,;15.58,-7.23,;16.91,-6.46,;18.24,-7.24,;19.57,-6.47,;19.58,-4.93,;20.92,-4.17,;18.25,-4.16,;16.91,-4.92,)|

BDBM50374621

COc1cc(Nc2ncc3c(n2)n2c4ccccc4nc2n(-c2c(C)cccc2C)c3=O)cc(OC)c1OCCN1CCN(C)CC1 |(-2.05,-47.19,;-3.39,-47.96,;-3.39,-49.5,;-2.06,-50.27,;-2.07,-51.81,;-.74,-52.59,;.59,-51.82,;.6,-50.27,;1.92,-49.5,;3.26,-50.27,;3.26,-51.81,;1.92,-52.59,;4.6,-52.58,;4.92,-54.08,;4.01,-55.32,;4.62,-56.73,;6.16,-56.89,;7.06,-55.66,;6.44,-54.26,;7.08,-52.85,;5.93,-51.82,;5.94,-50.27,;7.27,-49.5,;7.27,-47.97,;5.93,-47.2,;8.59,-47.2,;9.94,-47.97,;9.93,-49.51,;8.6,-50.28,;8.59,-51.82,;4.59,-49.49,;4.59,-47.95,;-3.39,-52.58,;-4.73,-51.82,;-6.06,-52.59,;-7.39,-51.82,;-4.73,-50.27,;-6.06,-49.5,;-7.4,-50.27,;-8.73,-49.5,;-8.74,-47.96,;-7.41,-47.18,;-7.42,-45.65,;-8.75,-44.88,;-8.76,-43.34,;-10.08,-45.66,;-10.07,-47.2,)|

BDBM50374619

COc1cc(Nc2ncc3c(n2)n2c4ccccc4nc2n(-c2c(C)cccc2C)c3=O)cc(OC)c1OCCN1CCOCC1 |(-1.93,5.11,;-3.27,4.34,;-3.27,2.8,;-1.94,2.03,;-1.95,.49,;-.62,-.29,;.71,.48,;.72,2.03,;2.04,2.8,;3.38,2.04,;3.38,.49,;2.04,-.29,;4.72,-.28,;5.04,-1.78,;4.13,-3.02,;4.74,-4.42,;6.28,-4.59,;7.18,-3.35,;6.56,-1.95,;7.19,-.55,;6.05,.48,;6.06,2.03,;7.39,2.8,;7.39,4.34,;6.05,5.1,;8.71,5.11,;10.06,4.33,;10.05,2.79,;8.72,2.03,;8.71,.49,;4.71,2.81,;4.71,4.35,;-3.27,-.28,;-4.61,.48,;-5.94,-.29,;-7.27,.48,;-4.61,2.03,;-5.94,2.8,;-7.28,2.03,;-8.61,2.8,;-8.62,4.35,;-7.29,5.12,;-7.3,6.65,;-8.63,7.42,;-9.96,6.64,;-9.95,5.1,)|

BDBM50374625

COc1cc(Nc2ncc3c(n2)n2c4ccccc4nc2n(-c2c(C)cccc2C)c3=O)ccc1N1CCN(C)CC1 |(-2.95,-19.43,;-4.29,-20.2,;-4.29,-21.74,;-2.96,-22.51,;-2.97,-24.05,;-1.64,-24.82,;-.3,-24.05,;-.3,-22.51,;1.02,-21.74,;2.36,-22.5,;2.36,-24.05,;1.03,-24.83,;3.7,-24.82,;4.02,-26.32,;3.11,-27.55,;3.73,-28.96,;5.26,-29.13,;6.16,-27.89,;5.55,-26.49,;6.18,-25.09,;5.04,-24.05,;5.04,-22.5,;6.37,-21.74,;6.37,-20.2,;5.03,-19.44,;7.7,-19.43,;9.04,-20.2,;9.03,-21.75,;7.7,-22.51,;7.69,-24.05,;3.7,-21.73,;3.7,-20.19,;-4.29,-24.82,;-5.62,-24.05,;-5.63,-22.51,;-6.96,-21.74,;-6.95,-20.2,;-8.28,-19.43,;-9.62,-20.19,;-10.95,-19.42,;-9.62,-21.73,;-8.29,-22.51,)|

BDBM50374617

COc1cc(Nc2ncc3c(n2)n2c4ccccc4nc2n(-c2c(C)cccc2C)c3=O)ccc1OCCCN1CCN(C)CC1 |(-3.89,-6.67,;-5.23,-7.43,;-5.23,-8.97,;-3.9,-9.74,;-3.91,-11.29,;-2.58,-12.06,;-1.25,-11.29,;-1.24,-9.74,;.08,-8.97,;1.42,-9.74,;1.42,-11.28,;.08,-12.06,;2.76,-12.05,;3.08,-13.56,;2.17,-14.79,;2.79,-16.2,;4.32,-16.36,;5.22,-15.13,;4.6,-13.73,;5.24,-12.32,;4.09,-11.29,;4.1,-9.74,;5.43,-8.97,;5.43,-7.44,;4.09,-6.67,;6.75,-6.67,;8.1,-7.44,;8.09,-8.98,;6.76,-9.75,;6.75,-11.29,;2.76,-8.96,;2.76,-7.42,;-5.23,-12.05,;-6.57,-11.29,;-6.57,-9.74,;-7.9,-8.97,;-9.24,-9.74,;-10.57,-8.97,;-10.57,-7.43,;-9.24,-6.66,;-7.9,-7.44,;-6.57,-6.68,;-6.56,-5.14,;-5.23,-4.37,;-7.9,-4.36,;-9.24,-5.13,)|

BDBM50374622

COc1cc(Nc2ncc3c(n2)n2c4ccccc4nc2n(-c2c(C)cccc2C)c3=O)ccc1OCCN1CCN(C)CC1 |(21.28,-33.67,;19.94,-34.43,;19.94,-35.97,;21.27,-36.75,;21.26,-38.29,;22.59,-39.06,;23.92,-38.29,;23.93,-36.75,;25.25,-35.98,;26.59,-36.74,;26.59,-38.29,;25.26,-39.06,;27.93,-39.06,;28.25,-40.56,;27.34,-41.79,;27.96,-43.2,;29.49,-43.36,;30.39,-42.13,;29.78,-40.73,;30.41,-39.32,;29.27,-38.29,;29.27,-36.74,;30.6,-35.97,;30.6,-34.44,;29.26,-33.67,;31.93,-33.67,;33.27,-34.44,;33.26,-35.98,;31.93,-36.75,;31.92,-38.29,;27.93,-35.96,;27.93,-34.42,;19.94,-39.06,;18.6,-38.29,;18.6,-36.74,;17.27,-35.97,;15.93,-36.74,;14.6,-35.97,;14.6,-34.43,;15.92,-33.65,;15.91,-32.12,;14.58,-31.36,;14.57,-29.82,;13.25,-32.14,;13.26,-33.68,)|

BDBM50083641

COc1cc(Nc2nccc(n2)-c2ccc(NCCN)nc2)cc(OC)c1OC

BDBM50083644

COc1cc(Nc2nccc(n2)-c2ccc(nc2)N2CCNCC2)cc(OC)c1OC

BDBM50083643

COc1cc(Nc2nccc(n2)-c2cccnc2)cc(OC)c1OC

BDBM50374627

COc1cc(Nc2ncnc(n2)-n2c(Nc3c(C)cccc3C)nc3ccccc23)cc(OC)c1OC

BDBM50374628

COc1cc(Nc2ncnc(n2)-n2c(Nc3ccccc3)nc3ccccc23)cc(OC)c1OC

BDBM50291096

COc1cc(Nc2ncnc3c(C)cc(C)cc23)cc(OC)c1OC

BDBM50291085

COc1cc(Nc2ncnc3c(OC)c(OC)c(OC)cc23)cc(OC)c1OC

BDBM50291097

COc1cc(Nc2ncnc3cc(OC)c(OC)cc23)cc(OC)c1

BDBM50291094

COc1cc(Nc2ncnc3ccc(Cl)cc23)cc(OC)c1OC

BDBM50291084

COc1cc(Nc2ncnc3n[nH]cc23)cc(OC)c1OC

BDBM50291083

COc1cc(Nc2ncnc3nc[nH]c23)cc(OC)c1OC

BDBM50375355

COc1cc(Nc2nn3c(N[C@H](CO)Cc4ccccc4)cc(nc3c2C(N)=O)C2CC2)cc(OC)c1

BDBM50005886

COc1cc(O)c2C(=O)c3c(O)cc(C)cc3C(=O)c2c1

BDBM50413752

COc1cc(O)c2c(CCCC(=O)C(=O)C(O)CCC[C@H](C)OC2=O)c1 |r|

BDBM50335376

COc1cc(O)c2c(CCCCCC(=O)C=CC[C@H](C)OC2=O)c1 |r,w:16.16|

BDBM50335374

COc1cc(O)c2c(CCC[C@H](O)CC(=O)C=CC[C@H](C)OC2=O)c1 |r,w:17.17|

BDBM50259539

COc1cc(O)c2c(c1)\C=C\C[C@@H](O)[C@H](O)C(=O)CCC[C@H](C)OC2=O |r,t:10|

BDBM50187658

COc1cc(O)c2c(c1)oc(cc2=O)-c1ccc(O)cc1

BDBM50039655

COc1cc(OC)c2cc(cnc2c1)-c1ccncc1

BDBM50288936

COc1cc(OC)cc(\C=N\c2cnc(Nc3ccc(cc3)N3CCOCC3)nc2Oc2ccc(C)cc2OC)c1

BDBM50289121

COc1cc(OC)cc(\C=N\c2cnc(Nc3ccc(cc3)N3CCOCC3)nc2Oc2ccc(F)cc2)c1

BDBM50289100

COc1cc(OC)cc(\C=N\c2cnc(Nc3ccc(cc3)N3CCOCC3)nc2Oc2ccc(cc2)C(F)(F)F)c1

BDBM50011439

COc1cc(OC)cc(c1)-c1oc2ccccc2c(=O)c1C(O)=O

BDBM26385

COc1cc(OC)cc(c1)C(=O)Nc1ccc(C)c(c1)C(=O)Nc1cnc(Nc2ccc(cc2)N2CCN(C)CC2)nc1

BDBM50279884

COc1cc(OC)cc(c1)C(=O)Nc1ccccn1

BDBM50279875

COc1cc(OC)cc(c1)C(=O)Nc1cccnc1

BDBM50279892

COc1cc(OC)cc(c1)C(=O)Nc1ccncc1

BDBM50289214

COc1cc(OC)cc(c1)C(=O)Nc1cnc(Nc2ccc(cc2)N2CCOCC2)nc1Oc1ccc(C)cc1OC

BDBM50355494

COc1cc(Oc2ccnc3cc(OC)c(OC)cc23)ccc1NC(=O)NC(C)c1nccs1

BDBM50037416

COc1cc([N+]([O-])=O)c2oc(cc(=O)c2c1)-c1ccc(cc1)[N+]([O-])=O

BDBM50282839

COc1cc(\C=C(/C#N)c2cccnc2)cc(Br)c1O

BDBM50071673

COc1cc(\C=C2/C(=O)c3ccc(N)cc3C2=O)cc(OC)c1O

BDBM50279870

COc1cc(\C=C\c2ccc[n+](C)c2)cc(OC)c1OC

BDBM50279879

COc1cc(\C=C\c2ccccn2)cc(OC)c1OC

BDBM50279881

COc1cc(\C=C\c2cccnc2)cc(OC)c1OC

BDBM50279872

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

BDBM50025614

COc1cc(cc(OC)c1O)-c1cc(=O)c2cc(O)ccc2o1

BDBM50025482

COc1cc(cc(OC)c1O)-c1cc(=O)c2ccc(O)c(O)c2o1

BDBM50025610

COc1cc(cc(OC)c1O)-c1cc(=O)c2ccc(O)cc2o1

BDBM50025471

COc1cc(cc(OC)c1O)-c1cc(=O)c2ccc(OC(C)=O)cc2o1

BDBM50011424

COc1cc(cc(OC)c1O)-c1cc(=O)c2ccccc2o1

BDBM50025603

COc1cc(cc(OC)c1O)-c1oc2cc(O)cc(O)c2c(=O)c1O

BDBM50025558

COc1cc(cc(OC)c1OC)-c1cc(=O)c2cc(O)ccc2o1

BDBM50025565

COc1cc(cc(OC)c1OC)-c1cc(=O)c2ccc(O)c(O)c2o1

BDBM50025480

COc1cc(cc(OC)c1OC)-c1cc(=O)c2ccc(O)cc2o1

BDBM50025478

COc1cc(cc(OC)c1OC)-c1cc(=O)c2ccc(OC)c(OC)c2o1

BDBM50011428

COc1cc(cc(OC)c1OC)-c1cc(=O)c2ccccc2o1

BDBM50011430

COc1cc(cc(OC)c1OC)-c1oc2ccccc2c(=O)c1C(O)=O

BDBM50279883

COc1cc(cc(OC)c1OC)C(=O)Nc1ccccn1

BDBM50279880

COc1cc(cc(OC)c1OC)C(=O)Nc1cccnc1

BDBM50279874

COc1cc(cc(OC)c1OC)C(=O)Nc1ccncc1

BDBM50025617

COc1cc(cc(OC)c1O[Si](C)(C)C(C)(C)C)-c1cc(=O)c2cc(O)ccc2o1

BDBM50025475

COc1cc(cc(OC)c1O[Si](C)(C)C(C)(C)C)-c1cc(=O)c2ccc(O)c(O)c2o1

BDBM50025615

COc1cc(cc(OC)c1O[Si](C)(C)C(C)(C)C)-c1cc(=O)c2ccc(O)cc2o1

BDBM50025477

COc1cc(cc(OC)c1O[Si](C)(C)C(C)(C)C)-c1cc(=O)c2ccc(OC(C)=O)c(OC(C)=O)c2o1

BDBM50025618

COc1cc(cc(OC)c1O[Si](C)(C)C(C)(C)C)-c1cc(=O)c2ccc(OC(C)=O)cc2o1

BDBM255338

COc1cc(ccc1-c1nc([C@@H]2CC[C@H]3CCC(=O)N3C2)n2ccnc(N)c12)C(=O)Nc1cc(ccn1)C(F)(F)F |r|

BDBM340110

COc1cc(ccc1C(=O)Nc1ccccn1)-c1nc([C@@H]2CCCN2C(=O)C#CC)n2ccnc(N)c12 |r|

BDBM340126

COc1cc(ccc1C(=O)Nc1ccccn1)-c1nc([C@@H]2CCCN2C(=O)C=C)n2ccnc(N)c12 |r|

BDBM340103

COc1cc(ccc1C(=O)Nc1ccccn1)-c1nc([C@@H]2CCCN2C(=O)c2ccnc(Cl)n2)n2ccnc(N)c12 |r|

BDBM50184786

COc1cc(ccc1CC(=O)OC(C)(C)C)-c1nn(CCN2CCC(CC2)N(C)C)c2ncnc(N)c12

BDBM387854

COc1cc(ccc1Cc1ncc(C)o1)-c1nn(CCN2CCC(CC2)N(C)C)c2ncnc(N)c12

BDBM8804

COc1cc(ccc1NC(=O)C(C)(C)Cc1ccccc1)-c1nn([C@H]2CC[C@@H](CC2)N2CCN(C)CC2)c2ncnc(N)c12 |r,wU:24.25,wD:27.32,(.85,5.16,;-.29,6.2,;-1.75,5.73,;-2.08,4.23,;-3.55,3.76,;-4.69,4.8,;-4.36,6.3,;-2.89,6.77,;-2.56,8.27,;-1.1,8.74,;.04,7.7,;-.77,10.25,;-1.88,11.31,;-.38,11.74,;.72,10.64,;1.13,12.12,;.1,13.28,;.59,14.74,;2.1,15.05,;3.12,13.9,;2.63,12.44,;-4.03,2.3,;-3.12,1.05,;-4.03,-.2,;-3.55,-1.66,;-2.06,-2.04,;-1.64,-3.52,;-2.72,-4.63,;-4.21,-4.25,;-4.63,-2.76,;-2.3,-6.11,;-3.34,-7.24,;-2.87,-8.71,;-1.37,-9.04,;-.91,-10.51,;-.33,-7.91,;-.8,-6.44,;-5.49,.28,;-6.82,-.49,;-8.16,.28,;-8.16,1.82,;-6.82,2.59,;-6.82,4.13,;-5.49,1.82,)|

BDBM50184780

COc1cc(ccc1NC(=O)CC(C)(C)C)-c1nn(CCN2CCC(CC2)N(C)C)c2ncnc(N)c12

BDBM8805

COc1cc(ccc1NC(=O)CC(C)(C)c1ccccc1)-c1nn([C@H]2CC[C@@H](CC2)N2CCN(C)CC2)c2ncnc(N)c12 |r,wU:24.25,wD:27.32,(.85,5.16,;-.29,6.2,;-1.75,5.73,;-2.08,4.23,;-3.55,3.76,;-4.69,4.8,;-4.36,6.3,;-2.89,6.77,;-2.56,8.27,;-1.1,8.74,;.04,7.7,;-.77,10.25,;.72,10.64,;.72,9.1,;2.25,10.43,;1.13,12.12,;.1,13.28,;.59,14.74,;2.1,15.05,;3.12,13.9,;2.63,12.44,;-4.03,2.3,;-3.12,1.05,;-4.03,-.2,;-3.55,-1.66,;-2.06,-2.04,;-1.64,-3.52,;-2.72,-4.63,;-4.21,-4.25,;-4.63,-2.76,;-2.3,-6.11,;-3.34,-7.24,;-2.87,-8.71,;-1.37,-9.04,;-.91,-10.51,;-.33,-7.91,;-.8,-6.44,;-5.49,.28,;-6.82,-.49,;-8.16,.28,;-8.16,1.82,;-6.82,2.59,;-6.82,4.13,;-5.49,1.82,)|

BDBM8803

COc1cc(ccc1NC(=O)CCc1ccccc1)-c1nn([C@H]2CC[C@@H](CC2)N2CCN(C)CC2)c2ncnc(N)c12 |r,wU:22.23,wD:25.30,(.85,5.16,;-.29,6.2,;-1.75,5.73,;-2.08,4.23,;-3.55,3.76,;-4.69,4.8,;-4.36,6.3,;-2.89,6.77,;-2.56,8.27,;-1.1,8.74,;.04,7.7,;-.77,10.25,;.72,10.64,;1.13,12.12,;.1,13.28,;.59,14.74,;2.1,15.05,;3.12,13.9,;2.63,12.44,;-4.03,2.3,;-3.12,1.05,;-4.03,-.2,;-3.55,-1.66,;-2.06,-2.04,;-1.64,-3.52,;-2.72,-4.63,;-4.21,-4.25,;-4.63,-2.76,;-2.3,-6.11,;-3.34,-7.24,;-2.87,-8.71,;-1.37,-9.04,;-.91,-10.51,;-.33,-7.91,;-.8,-6.44,;-5.49,.28,;-6.82,-.49,;-8.16,.28,;-8.16,1.82,;-6.82,2.59,;-6.82,4.13,;-5.49,1.82,)|

BDBM50184778

COc1cc(ccc1NC(=O)NC(C)(C)C)-c1nn(CCN2CCC(CC2)N(C)C)c2ncnc(N)c12

BDBM8799

COc1cc(ccc1NC(=O)Nc1ccccc1)-c1nn([C@H]2CC[C@@H](CC2)N2CCN(C)CC2)c2ncnc(N)c12 |r,wU:21.22,wD:24.29,(.85,5.16,;-.29,6.2,;-1.75,5.73,;-2.08,4.23,;-3.55,3.76,;-4.69,4.8,;-4.36,6.3,;-2.89,6.77,;-2.56,8.27,;-1.1,8.74,;.04,7.7,;-.77,10.25,;.7,10.71,;1.24,12.15,;2.76,12.4,;3.74,11.21,;3.2,9.77,;1.68,9.52,;-4.03,2.3,;-3.12,1.05,;-4.03,-.2,;-3.55,-1.66,;-2.06,-2.04,;-1.64,-3.52,;-2.72,-4.63,;-4.21,-4.25,;-4.63,-2.76,;-2.3,-6.11,;-3.34,-7.24,;-2.87,-8.71,;-1.37,-9.04,;-.91,-10.51,;-.33,-7.91,;-.8,-6.44,;-5.49,.28,;-6.82,-.49,;-8.16,.28,;-8.16,1.82,;-6.82,2.59,;-6.82,4.13,;-5.49,1.82,)|

BDBM50184767

COc1cc(ccc1NC(=O)OC(C)(C)C)-c1nn(CCN2CCC(CC2)N(C)C)c2ncnc(N)c12

BDBM50184776

COc1cc(ccc1NC(=O)OC(C)(C)C)-c1nn(CCN2CCC(CC2)N2CCCC2)c2ncnc(N)c12

BDBM50184777

COc1cc(ccc1NC(=O)OC(C)(C)C)-c1nn(CCN2CCC(CC2)N2CCCCC2)c2ncnc(N)c12

BDBM387846

COc1cc(ccc1NC(=O)OC(C)(C)C)-c1nn(CCN2CCC(CN(C)C)CC2)c2ncnc(N)c12

BDBM50320213

COc1cc(ccc1NC(=O)OCC(C)C)-c1cnc2c(cnn2c1N)-c1cccc(c1)N1CCN(C)CC1

BDBM8798

COc1cc(ccc1NC(=O)OCc1ccccc1)-c1nn([C@H]2CC[C@@H](CC2)N2CCN(C)CC2)c2ncnc(N)c12 |r,wU:22.23,wD:25.30,(.85,5.16,;-.29,6.2,;-1.75,5.73,;-2.08,4.23,;-3.55,3.76,;-4.69,4.8,;-4.36,6.3,;-2.89,6.77,;-2.56,8.27,;-1.1,8.74,;.04,7.7,;-.77,10.25,;.7,10.71,;1.03,12.22,;-.05,13.31,;.36,14.8,;1.85,15.19,;2.93,14.09,;2.52,12.61,;-4.03,2.3,;-3.12,1.05,;-4.03,-.2,;-3.55,-1.66,;-2.06,-2.04,;-1.64,-3.52,;-2.72,-4.63,;-4.21,-4.25,;-4.63,-2.76,;-2.3,-6.11,;-3.34,-7.24,;-2.87,-8.71,;-1.37,-9.04,;-.91,-10.51,;-.33,-7.91,;-.8,-6.44,;-5.49,.28,;-6.82,-.49,;-8.16,.28,;-8.16,1.82,;-6.82,2.59,;-6.82,4.13,;-5.49,1.82,)|

BDBM8806

COc1cc(ccc1NC(=O)[C@@H]1C[C@H]1c1ccccc1)-c1nn([C@H]2CC[C@@H](CC2)N2CCN(C)CC2)c2ncnc(N)c12 |r,wU:23.25,13.15,wD:26.32,11.11,(.85,5.16,;-.29,6.2,;-1.75,5.73,;-2.08,4.23,;-3.55,3.76,;-4.69,4.8,;-4.36,6.3,;-2.89,6.77,;-2.56,8.27,;-1.1,8.74,;.04,7.7,;-.77,10.25,;-1.28,11.7,;.24,11.41,;1.69,11.93,;2,13.43,;3.46,13.92,;4.61,12.89,;4.3,11.38,;2.84,10.9,;-4.03,2.3,;-3.12,1.05,;-4.03,-.2,;-3.55,-1.66,;-2.06,-2.04,;-1.64,-3.52,;-2.72,-4.63,;-4.21,-4.25,;-4.63,-2.76,;-2.3,-6.11,;-3.34,-7.24,;-2.87,-8.71,;-1.37,-9.04,;-.91,-10.51,;-.33,-7.91,;-.8,-6.44,;-5.49,.28,;-6.82,-.49,;-8.16,.28,;-8.16,1.82,;-6.82,2.59,;-6.82,4.13,;-5.49,1.82,)|

BDBM50175208

COc1cc(ccc1NC(=O)c1cc(O)c2ccccc2n1)-c1nn(C2CCN(CC2)C2CCOCC2)c2ncnc(N)c12

BDBM50175210

COc1cc(ccc1NC(=O)c1cc2cc(Cl)ccc2n1C)-c1nn(C2CCN(CC2)C2CCOCC2)c2ncnc(N)c12

BDBM50175203

COc1cc(ccc1NC(=O)c1cc2cc(ccc2n1C)C#N)-c1nn(C2CCN(CC2)C2CCOCC2)c2ncnc(N)c12

BDBM50175206

COc1cc(ccc1NC(=O)c1cc2cc(ccc2n1C)C(N)=O)-c1nn(C2CCN(CC2)C2CCOCC2)c2ncnc(N)c12

BDBM50145570

COc1cc(ccc1NC(=O)c1cc2ccccc2[nH]1)-c1nn([C@H]2CC[C@@H](CC2)N2CCN(C)CC2)c2ncnc(N)c12 |wU:23.25,wD:26.32,(1.45,-1.92,;1.52,-3.48,;2.9,-4.2,;2.97,-5.74,;4.32,-6.46,;5.63,-5.64,;5.57,-4.09,;4.21,-3.37,;4.2,-1.83,;5.51,-1.03,;6.86,-1.8,;5.49,.51,;6.63,1.55,;5.98,2.93,;6.61,4.35,;5.7,5.59,;4.18,5.43,;3.55,4.03,;4.46,2.77,;4.16,1.25,;4.39,-8,;5.62,-8.89,;5.14,-10.36,;6.09,-11.55,;7.63,-11.32,;8.58,-12.52,;8.02,-13.95,;6.49,-14.19,;5.53,-12.99,;8.99,-15.14,;10.5,-14.91,;11.47,-16.1,;10.91,-17.54,;11.88,-18.76,;9.38,-17.78,;8.43,-16.58,;3.61,-10.36,;2.57,-11.5,;1.08,-11.17,;.61,-9.71,;1.64,-8.57,;1.17,-7.1,;3.13,-8.89,)|

BDBM50202757

COc1cc(ccc1NC(=O)c1cc2ccccc2n1C)-c1csc2C(CN=C(N)c12)C=CC(=O)NC1CCNCC1 |w:31.35,t:30|

BDBM50202746

COc1cc(ccc1NC(=O)c1cc2ccccc2n1C)-c1csc2c(C=CCN3CCN(C)C(=O)C3)cnc(N)c12 |w:26.28|

BDBM50202755

COc1cc(ccc1NC(=O)c1cc2ccccc2n1C)-c1csc2c(CCCO)cnc(N)c12

BDBM50202743

COc1cc(ccc1NC(=O)c1cc2ccccc2n1C)-c1csc2c(N)cnc(N)c12

BDBM50202742

COc1cc(ccc1NC(=O)c1cc2ccccc2n1C)-c1csc2c(NC(=O)CCN3CCCC3)cnc(N)c12

BDBM50202752

COc1cc(ccc1NC(=O)c1cc2ccccc2n1C)-c1csc2c(NC(=O)NCCN3CCCC3)cnc(N)c12

BDBM50202736

COc1cc(ccc1NC(=O)c1cc2ccccc2n1C)-c1csc2c(\C=C\C(N)=O)cnc(N)c12

BDBM50202738

COc1cc(ccc1NC(=O)c1cc2ccccc2n1C)-c1csc2c(\C=C\CN)cnc(N)c12

BDBM50202741

COc1cc(ccc1NC(=O)c1cc2ccccc2n1C)-c1csc2c(\C=C\CN3CCC(O)CC3)cnc(N)c12

BDBM50202754

COc1cc(ccc1NC(=O)c1cc2ccccc2n1C)-c1csc2c(\C=C\CN3CCN(C)CC3)cnc(N)c12

BDBM50202756

COc1cc(ccc1NC(=O)c1cc2ccccc2n1C)-c1csc2c(\C=C\CN3CCN(CC3)c3ccccc3)cnc(N)c12

BDBM50202751

COc1cc(ccc1NC(=O)c1cc2ccccc2n1C)-c1csc2c(\C=C\CNC(=O)Nc3ccccc3)cnc(N)c12

BDBM50202753

COc1cc(ccc1NC(=O)c1cc2ccccc2n1C)-c1csc2c(\C=C\CNC(C)=O)cnc(N)c12

BDBM50202739

COc1cc(ccc1NC(=O)c1cc2ccccc2n1C)-c1csc2c(\C=C\CNC3CCNCC3)cnc(N)c12

BDBM50202748

COc1cc(ccc1NC(=O)c1cc2ccccc2n1C)-c1csc2c(\C=C\CNS(C)(=O)=O)cnc(N)c12

BDBM50202735

COc1cc(ccc1NC(=O)c1cc2ccccc2n1C)-c1csc2c(\C=C\CN[C@@H]3CC[C@H](N)CC3)cnc(N)c12 |wU:30.32,33.36,(28.87,-24.7,;27.4,-24.22,;26.26,-25.25,;24.79,-24.77,;23.65,-25.8,;23.98,-27.31,;25.43,-27.78,;26.58,-26.75,;28.03,-27.23,;28.36,-28.73,;27.21,-29.77,;29.82,-29.21,;30.29,-30.69,;31.84,-30.68,;32.87,-31.82,;34.38,-31.5,;34.86,-30.04,;33.82,-28.89,;32.32,-29.21,;31.08,-28.3,;31.08,-26.76,;22.18,-25.32,;20.94,-26.24,;19.69,-25.33,;20.17,-23.87,;19.4,-22.55,;17.86,-22.55,;17.09,-21.22,;15.55,-21.23,;14.78,-19.89,;15.54,-18.56,;17.09,-18.56,;17.85,-17.23,;17.09,-15.9,;17.86,-14.57,;15.55,-15.9,;14.78,-17.23,;20.16,-21.22,;21.7,-21.22,;22.47,-22.55,;24.01,-22.55,;21.7,-23.87,)|

BDBM50202737

COc1cc(ccc1NC(=O)c1cc2ccccc2n1C)-c1csc2c(\C=C\CN[C@H]3CC[C@H](N)CC3)cnc(N)c12 |wU:30.32,wD:33.36,(5.61,-23.77,;4.15,-23.29,;3.01,-24.32,;1.54,-23.84,;.4,-24.87,;.73,-26.38,;2.18,-26.85,;3.33,-25.82,;4.78,-26.3,;5.1,-27.8,;3.96,-28.84,;6.57,-28.28,;7.04,-29.76,;8.59,-29.75,;9.62,-30.9,;11.13,-30.57,;11.61,-29.11,;10.57,-27.96,;9.07,-28.28,;7.83,-27.37,;7.83,-25.83,;-1.07,-24.39,;-2.31,-25.31,;-3.56,-24.4,;-3.08,-22.94,;-3.85,-21.62,;-5.39,-21.62,;-6.16,-20.29,;-7.7,-20.3,;-8.47,-18.96,;-7.71,-17.63,;-8.47,-16.3,;-7.7,-14.97,;-6.16,-14.97,;-5.39,-13.64,;-5.4,-16.3,;-6.16,-17.63,;-3.09,-20.3,;-1.55,-20.29,;-.79,-21.62,;.75,-21.62,;-1.55,-22.94,)|

BDBM50202740

COc1cc(ccc1NC(=O)c1cc2ccccc2n1C)-c1csc2c(\C=C\CO)cnc(N)c12

BDBM50202749

COc1cc(ccc1NC(=O)c1cc2ccccc2n1C)-c1csc2c(cnc(N)c12)C(=O)N1CCN(C)CC1

BDBM50202733

COc1cc(ccc1NC(=O)c1cc2ccccc2n1C)-c1csc2c(cnc(N)c12)C(=O)NCCN(C)C

BDBM50202745

COc1cc(ccc1NC(=O)c1cc2ccccc2n1C)-c1csc2c(cnc(N)c12)C(=O)NCCN1CCCC1

BDBM50202744

COc1cc(ccc1NC(=O)c1cc2ccccc2n1C)-c1csc2c(cnc(N)c12)C(N)=O

BDBM50202747

COc1cc(ccc1NC(=O)c1cc2ccccc2n1C)-c1csc2c(cnc(N)c12)C(O)=O

BDBM50202758

COc1cc(ccc1NC(=O)c1cc2ccccc2n1C)-c1csc2ccnc(N)c12

BDBM50202759

COc1cc(ccc1NC(=O)c1cc2ccccc2n1C)-c1nn(C)c2ncnc(N)c12

BDBM50175195

COc1cc(ccc1NC(=O)c1cc2ccccc2n1C)-c1nn(C2CCN(CC2)C2CCN(CC2)C(C)=O)c2ncnc(N)c12

BDBM50175207

COc1cc(ccc1NC(=O)c1cc2ccccc2n1C)-c1nn(C2CCN(CC2)C2CCOCC2)c2ncnc(N)c12

BDBM50145571

COc1cc(ccc1NC(=O)c1cc2ccccc2n1C)-c1nn([C@H]2CC[C@@H](CC2)N2CCN(C)CC2)c2ncnc(N)c12 |wU:24.26,wD:27.33,(1.55,-1.69,;1.62,-3.24,;3.01,-3.96,;3.06,-5.49,;4.43,-6.21,;5.72,-5.39,;5.67,-3.86,;4.32,-3.13,;4.3,-1.59,;5.62,-.8,;6.97,-1.55,;5.6,.74,;6.72,1.79,;6.09,3.17,;6.72,4.59,;5.81,5.83,;4.29,5.68,;3.66,4.26,;4.56,3.01,;4.25,1.49,;2.85,.85,;4.49,-7.75,;5.72,-8.66,;5.25,-10.12,;6.2,-11.32,;7.73,-11.09,;8.68,-12.27,;8.12,-13.71,;6.6,-13.95,;5.63,-12.74,;9.08,-14.91,;10.61,-14.67,;11.57,-15.87,;11.02,-17.3,;11.97,-18.52,;9.49,-17.54,;8.52,-16.33,;3.72,-10.12,;2.68,-11.25,;1.19,-10.92,;.71,-9.48,;1.73,-8.33,;1.27,-6.86,;3.24,-8.66,)|

BDBM50175196

COc1cc(ccc1NC(=O)c1cc2ccccc2n1C)-c1nn([C@H]2CC[C@@H](CC2)N2CCN(CC2)C(C)=O)c2ncnc(N)c12 |wU:24.26,wD:27.33,(12.01,-40.62,;10.65,-39.9,;9.34,-40.71,;7.98,-39.99,;6.69,-40.8,;6.72,-42.34,;8.08,-43.07,;9.39,-42.26,;10.75,-42.99,;10.8,-44.53,;9.49,-45.34,;12.15,-45.25,;13.55,-44.59,;14.61,-45.7,;16.14,-45.65,;16.95,-46.95,;16.22,-48.31,;14.69,-48.35,;13.88,-47.05,;12.37,-46.78,;11.26,-47.85,;5.33,-40.07,;3.93,-40.75,;2.86,-39.63,;1.34,-39.83,;.76,-41.26,;-.77,-41.46,;-1.71,-40.23,;-1.12,-38.81,;.4,-38.61,;-3.24,-40.44,;-4.16,-39.21,;-5.67,-39.41,;-6.27,-40.83,;-5.34,-42.05,;-3.81,-41.86,;-7.79,-41.02,;-8.73,-39.8,;-8.4,-42.44,;3.6,-38.26,;3.09,-36.8,;4.09,-35.63,;5.61,-35.92,;6.12,-37.37,;7.63,-37.64,;5.12,-38.54,)|

BDBM8807

COc1cc(ccc1NC(=O)c1cc2ccccc2o1)-c1nn([C@H]2CC[C@@H](CC2)N2CCN(C)CC2)c2ncnc(N)c12 |r,wU:23.25,wD:26.32,(.85,5.16,;-.29,6.2,;-1.75,5.73,;-2.08,4.23,;-3.55,3.76,;-4.69,4.8,;-4.36,6.3,;-2.89,6.77,;-2.56,8.27,;-1.1,8.74,;.04,7.7,;-.77,10.25,;.65,10.85,;.52,12.38,;1.57,13.51,;1.12,14.98,;-.38,15.33,;-1.43,14.2,;-.98,12.73,;-1.78,11.41,;-4.03,2.3,;-3.12,1.05,;-4.03,-.2,;-3.55,-1.66,;-2.06,-2.04,;-1.64,-3.52,;-2.72,-4.63,;-4.21,-4.25,;-4.63,-2.76,;-2.3,-6.11,;-3.34,-7.24,;-2.87,-8.71,;-1.37,-9.04,;-.91,-10.51,;-.33,-7.91,;-.8,-6.44,;-5.49,.28,;-6.82,-.49,;-8.16,.28,;-8.16,1.82,;-6.82,2.59,;-6.82,4.13,;-5.49,1.82,)|

BDBM50175202

COc1cc(ccc1NC(=O)c1ccc(C)cc1)-c1nn(C2CCN(CC2)C2CCOCC2)c2ncnc(N)c12

BDBM50175212

COc1cc(ccc1NC(=O)c1ccc(OC(F)(F)F)cc1)-c1nn(C2CCN(CC2)C2CCOCC2)c2ncnc(N)c12

BDBM50175197

COc1cc(ccc1NC(=O)c1ccc(cc1)N(C)C)-c1nn(C2CCN(CC2)C2CCOCC2)c2ncnc(N)c12

BDBM50175209

COc1cc(ccc1NC(=O)c1ccc(cc1F)C(F)(F)F)-c1nn(C2CCN(C)CC2)c2ncnc(N)c12

BDBM50175200

COc1cc(ccc1NC(=O)c1ccc(cc1F)C(F)(F)F)-c1nn(C2CCN(CC2)C2CCN(C)CC2)c2ncnc(N)c12

BDBM50175199

COc1cc(ccc1NC(=O)c1ccc(cc1F)C(F)(F)F)-c1nn(C2CCN(CC2)C2CCN(CC2)C(C)=O)c2ncnc(N)c12

BDBM50175198

COc1cc(ccc1NC(=O)c1ccc(cc1F)C(F)(F)F)-c1nn(C2CCN(CC2)C2CCOCC2)c2ncnc(N)c12

BDBM50175211

COc1cc(ccc1NC(=O)c1ccc(cc1F)C(F)(F)F)-c1nn(C2CCN(Cc3ccccc3)CC2)c2ncnc(N)c12

BDBM50175205

COc1cc(ccc1NC(=O)c1ccc(cc1F)C(F)(F)F)-c1nn(C2CCNCC2)c2ncnc(N)c12

BDBM50175204

COc1cc(ccc1NC(=O)c1cccc(O)c1)-c1nn(C2CCN(CC2)C2CCOCC2)c2ncnc(N)c12

BDBM8797

COc1cc(ccc1NC(=O)c1ccccc1)-c1nn([C@H]2CC[C@@H](CC2)N2CCN(C)CC2)c2ncnc(N)c12 |r,wU:20.21,wD:23.28,(.85,5.16,;-.29,6.2,;-1.75,5.73,;-2.08,4.23,;-3.55,3.76,;-4.69,4.8,;-4.36,6.3,;-2.89,6.77,;-2.56,8.27,;-1.1,8.74,;.04,7.7,;-.77,10.25,;-1.86,11.33,;-1.46,12.82,;.02,13.22,;1.12,12.14,;.72,10.65,;-4.03,2.3,;-3.12,1.05,;-4.03,-.2,;-3.55,-1.66,;-2.06,-2.04,;-1.64,-3.52,;-2.72,-4.63,;-4.21,-4.25,;-4.63,-2.76,;-2.3,-6.11,;-3.34,-7.24,;-2.87,-8.71,;-1.37,-9.04,;-.91,-10.51,;-.33,-7.91,;-.8,-6.44,;-5.49,.28,;-6.82,-.49,;-8.16,.28,;-8.16,1.82,;-6.82,2.59,;-6.82,4.13,;-5.49,1.82,)|

BDBM50175201

COc1cc(ccc1NC(=O)c1nc2ccccc2n1C)-c1nn(C2CCN(CC2)C2CCOCC2)c2ncnc(N)c12

BDBM50184781

COc1cc(ccc1NCc1ccccc1)-c1nn(CCN2CCC(CC2)N(C)C)c2ncnc(N)c12

BDBM8802

COc1cc(ccc1NCc1ccccc1)-c1nn([C@H]2CC[C@@H](CC2)N2CCN(C)CC2)c2ncnc(N)c12 |r,wU:19.20,wD:22.27,(.85,5.16,;-.29,6.2,;-1.75,5.73,;-2.08,4.23,;-3.55,3.76,;-4.69,4.8,;-4.36,6.3,;-2.89,6.77,;-2.56,8.27,;-1.1,8.74,;-.77,10.25,;-1.85,11.34,;-1.45,12.82,;.04,13.22,;1.13,12.12,;.72,10.64,;-4.03,2.3,;-3.12,1.05,;-4.03,-.2,;-3.55,-1.66,;-2.06,-2.04,;-1.64,-3.52,;-2.72,-4.63,;-4.21,-4.25,;-4.63,-2.76,;-2.3,-6.11,;-3.34,-7.24,;-2.87,-8.71,;-1.37,-9.04,;-.91,-10.51,;-.33,-7.91,;-.8,-6.44,;-5.49,.28,;-6.82,-.49,;-8.16,.28,;-8.16,1.82,;-6.82,2.59,;-6.82,4.13,;-5.49,1.82,)|

BDBM50145572

COc1cc(ccc1NCc1ccco1)-c1nn([C@H]2CC[C@@H](CC2)N2CCN(C)CC2)c2ncnc(N)c12 |wU:18.19,wD:21.26,(1.27,4.51,;1.34,2.96,;2.73,2.24,;2.78,.71,;4.15,-.01,;5.44,.81,;5.39,2.35,;4.04,3.08,;4.02,4.61,;5.34,5.4,;6.69,4.65,;8.02,5.45,;9.17,4.42,;8.56,3.02,;7.04,3.15,;4.2,-1.55,;5.44,-2.46,;4.96,-3.92,;5.92,-5.11,;7.44,-4.88,;8.4,-6.07,;7.84,-7.5,;6.32,-7.75,;5.35,-6.53,;8.79,-8.7,;8.24,-10.12,;9.21,-11.33,;10.73,-11.09,;11.68,-12.31,;11.29,-9.66,;10.33,-8.46,;3.43,-3.92,;2.4,-5.04,;.91,-4.72,;.43,-3.27,;1.45,-2.13,;.99,-.65,;2.96,-2.46,)|

BDBM8801

COc1cc(ccc1NS(=O)(=O)Nc1ccccc1)-c1nn([C@H]2CC[C@@H](CC2)N2CCN(C)CC2)c2ncnc(N)c12 |r,wU:22.23,wD:25.30,(.85,5.16,;-.29,6.2,;-1.75,5.73,;-2.08,4.23,;-3.55,3.76,;-4.69,4.8,;-4.36,6.3,;-2.89,6.77,;-2.56,8.27,;-1.1,8.74,;.44,8.74,;-1.1,7.2,;-.77,10.25,;.7,10.71,;1.21,12.17,;2.72,12.45,;3.73,11.28,;3.22,9.83,;1.7,9.54,;-4.03,2.3,;-3.12,1.05,;-4.03,-.2,;-3.55,-1.66,;-2.06,-2.04,;-1.64,-3.52,;-2.72,-4.63,;-4.21,-4.25,;-4.63,-2.76,;-2.3,-6.11,;-3.34,-7.24,;-2.87,-8.71,;-1.37,-9.04,;-.91,-10.51,;-.33,-7.91,;-.8,-6.44,;-5.49,.28,;-6.82,-.49,;-8.16,.28,;-8.16,1.82,;-6.82,2.59,;-6.82,4.13,;-5.49,1.82,)|

BDBM8800

COc1cc(ccc1NS(=O)(=O)c1ccccc1)-c1nn([C@H]2CC[C@@H](CC2)N2CCN(C)CC2)c2ncnc(N)c12 |r,wU:21.22,wD:24.29,(.85,5.16,;-.29,6.2,;-1.75,5.73,;-2.08,4.23,;-3.55,3.76,;-4.69,4.8,;-4.36,6.3,;-2.89,6.77,;-2.56,8.27,;-1.1,8.74,;.44,8.74,;-1.1,7.2,;-.77,10.25,;-1.89,11.3,;-1.53,12.8,;-.06,13.24,;1.06,12.19,;.71,10.69,;-4.03,2.3,;-3.12,1.05,;-4.03,-.2,;-3.55,-1.66,;-2.06,-2.04,;-1.64,-3.52,;-2.72,-4.63,;-4.21,-4.25,;-4.63,-2.76,;-2.3,-6.11,;-3.34,-7.24,;-2.87,-8.71,;-1.37,-9.04,;-.91,-10.51,;-.33,-7.91,;-.8,-6.44,;-5.49,.28,;-6.82,-.49,;-8.16,.28,;-8.16,1.82,;-6.82,2.59,;-6.82,4.13,;-5.49,1.82,)|

BDBM482158

COc1cc(ccc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1)N1CCC(CC1)N1CCN(C)CC1

BDBM50256478

COc1cc(ccc1Nc1nccc(n1)-c1c(nc2ccccn12)-c1cccc(c1)C(=O)Nc1c(F)cccc1F)N1CCC(CC1)N1CCN(CC1)S(C)(=O)=O

BDBM50204592

COc1cc(ccc1OCCN1CCCCC1)-c1oc2ncnc(NCCN3CCNCC3)c2c1-c1ccccc1

BDBM50204586

COc1cc(ccc1OCCN1CCCCC1)-c1oc2ncnc(NC[C@@H]3CCCO3)c2c1-c1ccccc1

BDBM50532181

COc1cc(ccc1OCc1ccc(cc1)C1CC1)C1CN(C1)C(=O)c1cc(COC[C@@H](O)CO)ccn1 |r|

BDBM50129344

COc1cc(nc2sc(NC(=O)OC(C)(C)C)nc12)C(=O)Nc1c(C)cc(C)cc1C

BDBM50311929

COc1cc(ncn1)-n1c(Nc2cc(NC(=O)c3cccc(c3)C(F)(F)F)ccc2C)nc2ccccc12

BDBM50415616

COc1cc2CCN=C(c3ccc(Cl)c(Cl)c3)c2cc1Cl |t:7|

BDBM50415620

COc1cc2CCN=C(c3cccc(Cl)c3)c2cc1Cl |t:7|

BDBM50179207

COc1cc2Cc3c(Nc4cccc(F)c4)[nH]nc3-c2cc1OC

BDBM21

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

BDBM50355504

COc1cc2c(Oc3ccc(NC(=O)C4(CC4)C(=O)NC4=CCC(F)C=C4)cc3F)ccnc2cc1OCCCN1CCOCC1 |c:26,t:21|

BDBM50331096

COc1cc2c(Oc3ccc4[nH]c(C)cc4c3F)ncnc2cc1OCCCN1CCCC1

BDBM50120127

COc1cc2c(cc1NCCN(C)C)nc(Nc1c(C)cccc1Cl)c1cnc(C)n21

BDBM50120116

COc1cc2c(cc1NCCN(C)C)nc(Nc1c(C)cccc1Cl)c1cncn21

BDBM50120115

COc1cc2c(cc1NCCN(C)C)nc(Nc1c(F)cccc1Cl)c1cncn21

BDBM50120098

COc1cc2c(cc1NCCN1CCOCC1)nc(Nc1c(C)cccc1Cl)c1cncn21

BDBM50120125

COc1cc2c(cc1OCCN1CCOCC1)nc(Nc1c(C)cccc1Cl)c1cncn21

BDBM13535

COc1cc2c(ncnc2cc1OCCCN1CCCCC1)N1CCN(CC1)C(=O)Nc1ccc(OC(C)C)cc1

BDBM50039650

COc1cc2cc(cnc2cc1OC)-c1ccncc1

BDBM50291088

COc1cc2nc(Cl)nc(Nc3cc(OC)c(OC)c(OC)c3)c2cc1OC

BDBM50120097

COc1cc2nc(Nc3c(C)cccc3C)c3cncn3c2cc1OC

BDBM50145938

COc1cc2nc(Nc3c(C)cccc3Cl)c3cnc(C=O)n3c2cc1OC

BDBM50145891

COc1cc2nc(Nc3c(C)cccc3Cl)c3cnc(CO)n3c2cc1OC

BDBM50120133

COc1cc2nc(Nc3c(C)cccc3Cl)c3cncn3c2cc1N1CC(C)NC(C)C1

BDBM50120094

COc1cc2nc(Nc3c(C)cccc3Cl)c3cncn3c2cc1OC

BDBM50120102

COc1cc2nc(Nc3c(C)cccc3Cl)c3cncn3c2cc1OCCN1CCOCC1

BDBM538619

COc1cc2ncc(-c3cccc(NC4CCNC4)n3)n2cc1-c1cccnc1

BDBM538618

COc1cc2ncc(-c3cccc(NC4CCNC4)n3)n2cc1-c1cn[nH]c1

BDBM50279293

COc1cc2ncc(C(=O)Nc3ccccc3C)n2cc1S(=O)(=O)C(C)(C)C

BDBM50279288

COc1cc2ncc(C(=O)Oc3ccccc3C)n2cc1S(=O)(=O)C(C)(C)C

BDBM50132391

COc1cc2ncc(N[C@H]3CC[C@H](O)CC3)nc2cc1OC |wU:12.12,wD:9.8,(-.13,-6.56,;-.13,-5.02,;1.2,-4.25,;2.53,-5.02,;3.88,-4.23,;5.21,-5,;6.54,-4.23,;6.54,-2.69,;7.85,-1.9,;9.2,-2.67,;9.2,-4.21,;10.53,-4.98,;11.86,-4.21,;13.19,-4.98,;11.86,-2.67,;10.53,-1.9,;5.19,-1.92,;3.88,-2.69,;2.53,-1.92,;1.2,-2.71,;-.13,-1.94,;-.13,-.4,)|

BDBM50383191

COc1cc2nccc(Oc3ccc(NC(=O)c4c(C)n(C)n(-c5ccccc5)c4=O)cc3F)c2cc1OC

BDBM50375675

COc1cc2nccc(Oc3ccc4N(CCOc4c3)C(=O)NC(C)C)c2cc1OC

BDBM50375674

COc1cc2nccc(Oc3ccc4N(CCOc4c3)C(=O)NCc3ccc(C)cc3)c2cc1OC

BDBM50375689

COc1cc2nccc(Oc3ccc4N(CCOc4c3)C(=O)NCc3ccccc3)c2cc1OC

BDBM50375673

COc1cc2nccc(Oc3ccc4N(CCOc4c3)C(=O)N[C@@H](C)c3ccccc3)c2cc1OC

BDBM50375672

COc1cc2nccc(Oc3ccc4N(CCOc4c3)C(=O)N[C@H](C)c3ccccc3)c2cc1OC

BDBM50375690

COc1cc2nccc(Oc3ccc4N(CCOc4c3)C(=O)Nc3ccc(C)cc3)c2cc1C(N)=O

BDBM50375681

COc1cc2nccc(Oc3ccc4N(CCOc4c3)C(=O)Nc3ccc(C)cc3)c2cc1OC

BDBM50375683

COc1cc2nccc(Oc3ccc4N(CCOc4c3)C(=O)Nc3ccc(Cl)cc3)c2cc1C(N)=O

BDBM50375679

COc1cc2nccc(Oc3ccc4N(CCOc4c3)C(=O)Nc3ccc(Cl)cc3)c2cc1OC

BDBM50375678

COc1cc2nccc(Oc3ccc4N(CCOc4c3)C(=O)Nc3ccc(F)cc3)c2cc1OC

BDBM50375682

COc1cc2nccc(Oc3ccc4N(CCOc4c3)C(=O)Nc3cccc(C)c3)c2cc1OC

BDBM50375692

COc1cc2nccc(Oc3ccc4N(CCOc4c3)C(=O)Nc3cccc(Cl)c3)c2cc1OC

BDBM50375671

COc1cc2nccc(Oc3ccc4N(CCOc4c3)C(=O)Nc3ccccc3)c2cc1OC

BDBM50375688

COc1cc2nccc(Oc3ccc4N(CCOc4c3)C(=O)Nc3ccccc3C)c2cc1OC

BDBM50375680

COc1cc2nccc(Oc3ccc4N(CCOc4c3)C(=O)Nc3ccccc3Cl)c2cc1OC

BDBM50375677

COc1cc2nccc(Oc3ccc4N(CCOc4c3)C(N)=O)c2cc1OC

BDBM50376007

COc1cc2nccc(Oc3ccc4c(cccc4c3)C(=O)NC(C)(C)C)c2cc1OC

BDBM50376008

COc1cc2nccc(Oc3ccc4c(cccc4c3)C(=O)NC(C)C)c2cc1OC

BDBM50375992

COc1cc2nccc(Oc3ccc4c(cccc4c3)C(=O)NC3(C)CC3)c2cc1OC

BDBM50236856

COc1cc2nccc(Oc3ccc4c(cccc4c3)C(=O)NC3CC3)c2cc1OC

BDBM50375993

COc1cc2nccc(Oc3ccc4c(cccc4c3)C(=O)NC3CCC3)c2cc1OC

BDBM50376013

COc1cc2nccc(Oc3ccc4c(cccc4c3)C(=O)NC3CCCC3)c2cc1OC

BDBM50376006

COc1cc2nccc(Oc3ccc4c(cccc4c3)C(=O)NCC(F)(F)F)c2cc1OC

BDBM50376012

COc1cc2nccc(Oc3ccc4c(cccc4c3)C(=O)NCC3CC3)c2cc1OC

BDBM50236362

COc1cc2nccc(Oc3ccc4c(cccc4c3)C(=O)Nc3ccc(Cl)cc3)c2cc1OC

BDBM50376003

COc1cc2nccc(Oc3ccc4c(cccc4c3)C(N)=O)c2cc1OC

BDBM206104

COc1cc2ncccc2cc1NC(=O)c1csc2cncnc12

BDBM50273281

COc1cc2ncnc(N(C)c3ccccc3)c2cc1OC

BDBM3289

COc1cc2ncnc(NCc3ccccc3)c2cc1OC

BDBM6497

COc1cc2ncnc(Nc3cc(OC)c(OC)c(OC)c3)c2cc1OC

BDBM50183837

COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1CN1CCC[C@@H]1C(N)=O

BDBM50183863

COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1CN1CCC[C@H]1C(N)=O

BDBM112499

COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1NC(=O)\C=C\CN1CCCCC1

BDBM5447

COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCCN1CCOCC1

BDBM50227519

COc1cc2ncnc(Nc3ccc(O)cc3)c2cc1OC

BDBM50291077

COc1cc2ncnc(Nc3ccc(cc3)N3CCOCC3)c2cc1OC

BDBM50291098

COc1cc2ncnc(Nc3ccc4CCCc4c3)c2cc1OC

BDBM3532

COc1cc2ncnc(Nc3cccc(Cl)c3)c2cc1OC

BDBM50183849

COc1cc2ncnc(Nc3cccc(Cl)c3F)c2cc1CN(C(C)C)[C@@H](C)C(N)=O

BDBM50183858

COc1cc2ncnc(Nc3cccc(Cl)c3F)c2cc1CN(C)C1(CCN(C)CC1)C(N)=O

BDBM50183846

COc1cc2ncnc(Nc3cccc(Cl)c3F)c2cc1CN(C)C1(CCN(CC1)C(C)C)C(N)=O

BDBM50183847

COc1cc2ncnc(Nc3cccc(Cl)c3F)c2cc1CN(C)C1(CN(C)C1)C(N)=O

BDBM50183840

COc1cc2ncnc(Nc3cccc(Cl)c3F)c2cc1CN(C)C1(CN(C1)C(C)C)C(N)=O

BDBM50183841

COc1cc2ncnc(Nc3cccc(Cl)c3F)c2cc1CN(C)C1CCNC1=O

BDBM50183852

COc1cc2ncnc(Nc3cccc(Cl)c3F)c2cc1CN(C)CC(N)=O

BDBM50183862

COc1cc2ncnc(Nc3cccc(Cl)c3F)c2cc1CN(C)[C@@H](C)C(N)=O

BDBM50183848

COc1cc2ncnc(Nc3cccc(Cl)c3F)c2cc1CN(C)[C@@H](CN(C)C)C(N)=O

BDBM50183844

COc1cc2ncnc(Nc3cccc(Cl)c3F)c2cc1CN(C)[C@@H](CO)C(N)=O

BDBM50183860

COc1cc2ncnc(Nc3cccc(Cl)c3F)c2cc1CN(C)[C@H](C)C(=O)N(C)C

BDBM50183835

COc1cc2ncnc(Nc3cccc(Cl)c3F)c2cc1CN(C)[C@H](C)C(N)=O

BDBM50183855

COc1cc2ncnc(Nc3cccc(Cl)c3F)c2cc1CN(CCN(C)C)[C@@H](C)C(N)=O

BDBM50183836

COc1cc2ncnc(Nc3cccc(Cl)c3F)c2cc1CN1CC(C1)C(N)=O

BDBM50183861

COc1cc2ncnc(Nc3cccc(Cl)c3F)c2cc1CN1CCC1C(N)=O

BDBM50183832

COc1cc2ncnc(Nc3cccc(Cl)c3F)c2cc1CN1CCCC1

BDBM50183864

COc1cc2ncnc(Nc3cccc(Cl)c3F)c2cc1CN1CCCC[C@@H]1C(N)=O

BDBM50183851

COc1cc2ncnc(Nc3cccc(Cl)c3F)c2cc1CN1CCC[C@@H]1C(=O)N(C)C

BDBM50183850

COc1cc2ncnc(Nc3cccc(Cl)c3F)c2cc1CN1CCC[C@@H]1C(N)=O

BDBM50183842

COc1cc2ncnc(Nc3cccc(Cl)c3F)c2cc1CN1CCC[C@H]1C(N)=O

BDBM50183833

COc1cc2ncnc(Nc3cccc(Cl)c3F)c2cc1CN1CCC[C@H]1CC(N)=O

BDBM50183839

COc1cc2ncnc(Nc3cccc(Cl)c3F)c2cc1CN1CCN(C)CC1C(N)=O

BDBM50183831

COc1cc2ncnc(Nc3cccc(Cl)c3F)c2cc1CN1CCOCC1C(N)=O

BDBM50183859

COc1cc2ncnc(Nc3cccc(Cl)c3F)c2cc1CN1CC[C@@H](C1)C(N)=O

BDBM50183834

COc1cc2ncnc(Nc3cccc(Cl)c3F)c2cc1CN[C@H](C)C(N)=O

BDBM3531

COc1cc2ncnc(Nc3cccc(F)c3)c2cc1OC

BDBM50307768

COc1cc2ncnc(Nc3cccc(c3)C#C)c2cc1OCCCCCCC(=O)NO

BDBM3530

COc1cc2ncnc(Nc3ccccc3)c2cc1OC

BDBM50291100

COc1cc2ncnc(Oc3cc(OC)c(OC)c(OC)c3)c2cc1OC

BDBM50291080

COc1cc2ncnc(Oc3cccc(Cl)c3)c2cc1OC

BDBM50382959

COc1cc2ncnc(Oc3cccc(NC(=O)Nc4cc(on4)C(C)(C)C(F)(F)F)c3)c2cc1OC

BDBM50291091

COc1cc2ncnc(Sc3cccc(Cl)c3)c2cc1OC

BDBM50056199

COc1ccc(C(=O)NC(=O)Nc2ccc3\C(=C\c4[nH]c(C)c(C(=O)NCCN5CCCC5)c4C)C(=O)Nc3c2)c(F)c1

BDBM50195337

COc1ccc(C)c(Nc2cc(OCCN3CCOCC3)nc(n2)-n2cnc3ccccc23)c1

BDBM50195341

COc1ccc(C)c(Nc2ccnc(n2)-n2cnc3ccccc23)c1

BDBM50195339

COc1ccc(C)c(Nc2nccc(n2)-n2cnc3ccccc23)c1

BDBM50279868

COc1ccc(CCc2cccnc2)cc1OC

BDBM50255367

COc1ccc(CN(C)C)c(c1)-c1cc2c(Nc3ccc4[nH]ccc4c3C)c(cnc2s1)C#N

BDBM50255312

COc1ccc(CN(C)C)cc1-c1cc2c(Nc3ccc4[nH]ccc4c3C)c(cnc2s1)C#N

BDBM50279906

COc1ccc(CN=Nc2ccc(Br)cc2)cc1O |w:8.8|

BDBM50279905

COc1ccc(CN=Nc2ccccc2)cc1O |w:8.8|

BDBM50292479

COc1ccc(CN=Nc2ccccc2)cc1OC |w:7.6|

BDBM50074248

COc1ccc(CNC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc2ccc(OP(O)(O)=O)cc2)NC(C)=O)cc1

BDBM50074250

COc1ccc(CNC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc2ccc(OP(O)(O)=O)cc2)NC(C)=O)cc1OC

BDBM50077211

COc1ccc(CNC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](Cc2ccc(CC(O)=O)cc2)NC(=O)Cc2cccc3ccccc23)cc1

BDBM50077200

COc1ccc(CNC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](Cc2ccc(CC(O)=O)cc2)NC(C)=O)cc1

BDBM50077210

COc1ccc(CNC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](Cc2ccc(CCC(O)=O)cc2)NC(C)=O)cc1

BDBM50077204

COc1ccc(CNC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](Cc2ccc(CS(O)(=O)=O)cc2)NC(=O)Cc2cccc3ccccc23)cc1

BDBM50077212

COc1ccc(CNC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](Cc2ccc(CS(O)(=O)=O)cc2)NC(C)=O)cc1

BDBM50077209

COc1ccc(CNC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](Cc2ccc(NC(=O)C(O)=O)cc2)NC(=O)CCc2ccccc2)cc1

BDBM50077203

COc1ccc(CNC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](Cc2ccc(NC(=O)C(O)=O)cc2)NC(=O)Cc2ccc3ccccc3c2)cc1

BDBM50077198

COc1ccc(CNC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](Cc2ccc(NC(=O)C(O)=O)cc2)NC(=O)Cc2cccc3ccccc23)cc1

BDBM50077207

COc1ccc(CNC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](Cc2ccc(NC(=O)C(O)=O)cc2)NC(=O)Cc2ccccc2)cc1

BDBM50077196

COc1ccc(CNC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](Cc2ccc(NC(=O)C(O)=O)cc2)NC(=O)c2ccccc2)cc1

BDBM50077199

COc1ccc(CNC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](Cc2ccc(NC(=O)C(O)=O)cc2)NC(C)=O)cc1

BDBM50077208

COc1ccc(CNC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](Cc2ccc(OP(O)(O)=O)cc2)NC(=O)Cc2cccc3ccccc23)cc1

BDBM50074261

COc1ccc(CNC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](Cc2ccc(OP(O)(O)=O)cc2)NC(C)=O)cc1

BDBM50077202

COc1ccc(CNC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](Cc2ccc(cc2)C(=O)C(O)=O)NC(C)=O)cc1

BDBM50077205

COc1ccc(CNC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](Cc2ccc(cc2)C(F)(F)C(O)=O)NC(C)=O)cc1

BDBM50077197

COc1ccc(CNC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](Cc2ccc(cc2)C(O)C(O)=O)NC(=O)Cc2cccc3ccccc23)cc1

BDBM50077201

COc1ccc(CNC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](Cc2ccc(cc2)C(O)C(O)=O)NC(C)=O)cc1

BDBM50126744

COc1ccc(CNCc2cc3c(C)c(C)[nH]c(=O)c3c3n(C)c(Nc4c(Cl)cccc4Cl)nc23)cc1

BDBM32362

COc1ccc(COc2ccc(Cc3cnc(N)nc3N)cc2OC)cc1

BDBM50188341

COc1ccc(Cl)c(c1)C1=Cc2cnc(Nc3ccc(F)cc3)nc2N2CCC(=O)N12 |t:10|

BDBM50188351

COc1ccc(Cl)c(c1)C1=Cc2cnc(Nc3ccc(cc3)N(C)C)nc2N2CCC(=O)N12 |t:10|

BDBM50374611

COc1ccc(Cl)cc1-n1c2nc3ccccc3n2c2nc(Nc3ccc(cc3)N3CCN(C)CC3)ncc2c1=O |(29.7,-42.87,;29.7,-44.41,;31.04,-45.18,;32.37,-44.41,;33.71,-45.18,;33.7,-46.72,;35.03,-47.5,;32.37,-47.49,;31.04,-46.72,;29.71,-47.48,;29.7,-49.03,;30.85,-50.07,;30.21,-51.47,;30.83,-52.87,;29.93,-54.11,;28.39,-53.94,;27.78,-52.53,;28.69,-51.3,;28.37,-49.8,;27.03,-49.03,;25.69,-49.8,;24.36,-49.03,;23.03,-49.8,;21.7,-49.03,;21.71,-47.49,;20.38,-46.72,;19.04,-47.48,;19.04,-49.03,;20.38,-49.8,;17.71,-46.71,;17.71,-45.18,;16.39,-44.41,;15.05,-45.17,;13.72,-44.4,;15.04,-46.71,;16.38,-47.49,;24.37,-47.49,;25.69,-46.72,;27.03,-47.48,;28.37,-46.7,;28.36,-45.16,)|

BDBM50101668

COc1ccc(Cn2ccc(C)c(NC(=O)C(Cc3ccc(CC(O)=O)cc3)NC(=O)Cc3cccc4ccccc34)c2=O)cc1

BDBM50101670

COc1ccc(Cn2ccc(C)c(NC(=O)C(Cc3ccc(CC(O)=O)cc3)NC(C)=O)c2=O)cc1

BDBM50101671

COc1ccc(Cn2ccc(C)c(NC(=O)C(Cc3ccc(cc3)C(C)(C)C(O)=O)NC(=O)C(C)(C)c3cccc4ccccc34)c2=O)cc1

BDBM50101669

COc1ccc(Cn2ccc(C)c(NC(=O)C(Cc3ccc(cc3)C(C)(C)C(O)=O)NC(=O)Cc3ccc4ccccc4c3)c2=O)cc1

BDBM50101673

COc1ccc(Cn2ccc(C)c(NC(=O)C(Cc3ccc(cc3)C(C)(C)C(O)=O)NC(=O)Cc3cccc4ccccc34)c2=O)cc1

BDBM50369833

COc1ccc(Cn2ccc(C)c(NC(=O)[C@@H](Cc3ccc(cc3)C(C)(C)C(O)=O)NC(=O)C(C)(C)c3ccc4ccccc4c3)c2=O)cc1 |r|

BDBM50111444

COc1ccc(Cn2ccc(C)c(NC(=O)[C@H](Cc3ccc(cc3)C(C)(C)C(O)=O)NC(=O)C(C)(C)c3ccc4ccccc4c3)c2=O)cc1

BDBM50101672

COc1ccc(Cn2cccc(NC(=O)C(Cc3ccc(CC(O)=O)cc3)NC(=O)Cc3cccc4ccccc34)c2=O)cc1

BDBM12621

COc1ccc(F)c(F)c1C(=O)c1cnc(NC2CCN(CC2)S(C)(=O)=O)nc1N

BDBM17735

COc1ccc(N(C(=O)Oc2c(C)cccc2C)c2ccnc(Nc3cc(OC)c(N4CCN(C)CC4)c(OC)c3)n2)c(OC)c1

BDBM17744

COc1ccc(N(C(=O)Oc2c(C)cccc2C)c2ccnc(Nc3cc(OC)c(OCCCN4CCN(C)CC4)c(OC)c3)n2)c(OC)c1

BDBM17740

COc1ccc(N(C(=O)Oc2c(C)cccc2C)c2ccnc(Nc3cc(OC)c(OCCN4CCN(C)CC4)c(OC)c3)n2)c(OC)c1

BDBM17741

COc1ccc(N(C(=O)Oc2c(C)cccc2C)c2ccnc(Nc3cc(OC)c(OCCN4CCOCC4)c(OC)c3)n2)c(OC)c1

BDBM17736

COc1ccc(N(C(=O)Oc2c(C)cccc2C)c2ccnc(Nc3ccc(N4CCN(C)CC4)c(F)c3)n2)c(OC)c1

BDBM17734

COc1ccc(N(C(=O)Oc2c(C)cccc2C)c2ccnc(Nc3ccc(N4CCN(C)CC4)c(OC)c3)n2)c(OC)c1

BDBM17738

COc1ccc(N(C(=O)Oc2c(C)cccc2C)c2ccnc(Nc3ccc(OCCCN(C)C)cc3)n2)c(OC)c1

BDBM17746

COc1ccc(N(C(=O)Oc2c(C)cccc2C)c2ccnc(Nc3ccc(OCCCN4CCCCC4)c(F)c3)n2)c(OC)c1

BDBM17742

COc1ccc(N(C(=O)Oc2c(C)cccc2C)c2ccnc(Nc3ccc(OCCCN4CCCCC4)cc3)n2)c(OC)c1

BDBM17745

COc1ccc(N(C(=O)Oc2c(C)cccc2C)c2ccnc(Nc3ccc(OCCCN4CCN(C)CC4)c(F)c3)n2)c(OC)c1

BDBM17743

COc1ccc(N(C(=O)Oc2c(C)cccc2C)c2ccnc(Nc3ccc(OCCCN4CCN(C)CC4)c(OC)c3)n2)c(OC)c1

BDBM17737

COc1ccc(N(C(=O)Oc2c(C)cccc2C)c2ccnc(Nc3ccc(OCCN(C)C)cc3)n2)c(OC)c1

BDBM17739

COc1ccc(N(C(=O)Oc2c(C)cccc2C)c2ccnc(Nc3ccc(OCCN4CCN(C)CC4)c(F)c3)n2)c(OC)c1

BDBM17729

COc1ccc(N(C(=O)Oc2c(C)cccc2C)c2ccnc(Nc3ccc(cc3)N3CCN(C)CC3)n2)c(OC)c1

BDBM50037396

COc1ccc(N)c2oc(cc(=O)c12)-c1ccc(N)cc1

BDBM309610

COc1ccc(NC(=O)N[C@@H]2CCCN(C2)c2nnc(C(N)=O)c(Nc3ccc(cc3)C(=O)N3CCOCC3)n2)cc1 |r|

BDBM50289216

COc1ccc(NC(=O)Nc2cnc(Nc3cc(OC)cc(OC)c3)nc2Oc2ccc(C)cc2OC)cc1

BDBM50188356

COc1ccc(Nc2ncc3C=C(N4N(CCC4=O)c3n2)c2c(Cl)cccc2Cl)cc1 |c:11|

BDBM50291090

COc1ccc(Nc2ncnc3cc(OC)c(OC)cc23)cc1

BDBM50290835

COc1ccc(Nc2ncnc3cc(OC)c(OC)cc23)cc1OC

BDBM17730

COc1ccc(OC)c(CN(C(=O)Oc2c(C)cccc2C)c2ccnc(Nc3ccc(cc3)N3CCN(C)CC3)n2)c1

BDBM50288935

COc1ccc(OC)c(\C=N\c2cnc(Nc3ccc(cc3)N3CCOCC3)nc2Oc2ccc(C)cc2OC)c1

BDBM50092241

COc1ccc(Oc2ccc(cc2)-c2cn(c3ncnc(N)c23)C(C)(C)C)cc1

BDBM408604

COc1ccc(Oc2ccc(cc2)-n2c3cnccc3n(-c3cccc(NC(=O)C=C)c3)c2=O)cc1OC

BDBM50289118

COc1ccc(Oc2nc(Nc3ccc(cc3)N3CCOCC3)ncc2\N=C\c2cc(OC)cc(OC)c2)cc1

BDBM50291099

COc1ccc(Sc2ncnc3cc(OC)c(OC)cc23)cc1OC

BDBM50037419

COc1ccc([N+]([O-])=O)c2oc(cc(=O)c12)-c1ccc(cc1)[N+]([O-])=O

BDBM50279871

COc1ccc(\C=C\c2ccc[n+](C)c2)cc1OC

BDBM50279878

COc1ccc(\C=C\c2ccccn2)cc1OC

BDBM50279889

COc1ccc(\C=C\c2cccnc2)cc1

BDBM50279891

COc1ccc(\C=C\c2cccnc2)cc1OC

BDBM50279887

COc1ccc(\C=C\c2ccncc2)cc1

BDBM50279869

COc1ccc(\C=C\c2ccncc2)cc1OC

BDBM50031747

COc1ccc(cc1)-c1cccc2nc(NC(=O)C3CC3)nn12

BDBM50011441

COc1ccc(cc1)-c1oc2ccccc2c(=O)c1C(O)=O

BDBM50365426

COc1ccc(cc1)-c1ocnc1C(=O)NCc1ccncc1

BDBM50260915

COc1ccc(cc1)-n1ccc(C)c(-c2ccc3nc(N)ncc3c2)c1=O

BDBM309641

COc1ccc(cc1)C(=O)N[C@@H]1CCCN(C1)c1cnc(C#N)c(Cl)n1 |r|

BDBM309650

COc1ccc(cc1)C(=O)N[C@@H]1CCCN(C1)c1cnc(C(N)=O)c(Nc2cc(C)ns2)n1 |r|

BDBM309694

COc1ccc(cc1)C(=O)N[C@@H]1CCCN(C1)c1cnc(C(N)=O)c(Nc2ccc(C3CCNCC3)c(F)c2)n1 |r|

BDBM309656

COc1ccc(cc1)C(=O)N[C@@H]1CCCN(C1)c1cnc(C(N)=O)c(Nc2ccc(N3CCOCC3)c(F)c2)n1 |r|

BDBM309658

COc1ccc(cc1)C(=O)N[C@@H]1CCCN(C1)c1cnc(C(N)=O)c(Nc2ccc(cc2)-n2ccccc2=O)n1 |r|

BDBM309649

COc1ccc(cc1)C(=O)N[C@@H]1CCCN(C1)c1cnc(C(N)=O)c(Nc2ccc(cc2)C(=O)N(C)C)n1 |r|

BDBM309662

COc1ccc(cc1)C(=O)N[C@@H]1CCCN(C1)c1cnc(C(N)=O)c(Nc2ccc(cc2)C2CCN(C)CC2)n1 |r|

BDBM309668

COc1ccc(cc1)C(=O)N[C@@H]1CCCN(C1)c1cnc(C(N)=O)c(Nc2ccc(cc2)C2CCN(CC(F)(F)F)CC2)n1 |r|

BDBM309672

COc1ccc(cc1)C(=O)N[C@@H]1CCCN(C1)c1cnc(C(N)=O)c(Nc2ccc(cc2)C2CCN(CC2)C(=O)CC#N)n1 |r|

BDBM309665

COc1ccc(cc1)C(=O)N[C@@H]1CCCN(C1)c1cnc(C(N)=O)c(Nc2ccc(cc2)C2CCN(CC2)C(=O)OC(C)(C)C)n1 |r|

BDBM309670

COc1ccc(cc1)C(=O)N[C@@H]1CCCN(C1)c1cnc(C(N)=O)c(Nc2ccc(cc2)C2CCN(CC2)C(C)=O)n1 |r|

BDBM309664

COc1ccc(cc1)C(=O)N[C@@H]1CCCN(C1)c1cnc(C(N)=O)c(Nc2ccc(cc2)C2CCN(CC2)C2CC2)n1 |r|

BDBM309666

COc1ccc(cc1)C(=O)N[C@@H]1CCCN(C1)c1cnc(C(N)=O)c(Nc2ccc(cc2)C2CCN(CC2)C2CCCC2)n1 |r|

BDBM309669

COc1ccc(cc1)C(=O)N[C@@H]1CCCN(C1)c1cnc(C(N)=O)c(Nc2ccc(cc2)C2CCN(CC2)C=O)n1 |r|

BDBM309674

COc1ccc(cc1)C(=O)N[C@@H]1CCCN(C1)c1cnc(C(N)=O)c(Nc2ccc(cc2)C2CCN(CC2)S(C)(=O)=O)n1 |r|

BDBM309667

COc1ccc(cc1)C(=O)N[C@@H]1CCCN(C1)c1cnc(C(N)=O)c(Nc2ccc(cc2)C2CCN(C[N+]#[C-])CC2)n1 |r|

BDBM309653

COc1ccc(cc1)C(=O)N[C@@H]1CCCN(C1)c1cnc(C(N)=O)c(Nc2ccc(cc2)C2CCOCC2)n1 |r|

BDBM309695

COc1ccc(cc1)C(=O)N[C@@H]1CCCN(C1)c1cnc(C(N)=O)c(Nc2ccc(cc2)N2CCCCC2)n1 |r|

BDBM309659

COc1ccc(cc1)C(=O)N[C@@H]1CCCN(C1)c1cnc(C(N)=O)c(Nc2ccc(cc2)N2CCCCC2=O)n1 |r|

BDBM309654

COc1ccc(cc1)C(=O)N[C@@H]1CCCN(C1)c1cnc(C(N)=O)c(Nc2ccc(cc2)N2CCOCC2)n1 |r|

BDBM309657

COc1ccc(cc1)C(=O)N[C@@H]1CCCN(C1)c1cnc(C(N)=O)c(Nc2ccc(cc2)N2CCOCC2=O)n1 |r|

BDBM309692

COc1ccc(cc1)C(=O)N[C@@H]1CCCN(C1)c1cnc(C(N)=O)c(Nc2ccc(cc2)N2CCS(=O)(=O)CC2)n1 |r|

BDBM309648

COc1ccc(cc1)C(=O)N[C@@H]1CCCN(C1)c1cnc(C(N)=O)c(Nc2ccc(cc2)S(C)(=O)=O)n1 |r|

BDBM309693

COc1ccc(cc1)C(=O)N[C@@H]1CCCN(C1)c1cnc(C(N)=O)c(Nc2ccc(cc2F)C2CCN(CC2)C(=O)OC(C)(C)C)n1 |r|

BDBM309655

COc1ccc(cc1)C(=O)N[C@@H]1CCCN(C1)c1cnc(C(N)=O)c(Nc2ccc(nc2)N2CCOCC2)n1 |r|

BDBM309651

COc1ccc(cc1)C(=O)N[C@@H]1CCCN(C1)c1cnc(C(N)=O)c(Nc2ccc3ncccc3c2)n1 |r|

BDBM309652

COc1ccc(cc1)C(=O)N[C@@H]1CCCN(C1)c1cnc(C(N)=O)c(Nc2ccc3ncsc3c2)n1 |r|

BDBM17727

COc1ccc(cc1)N(C(=O)Oc1c(C)cccc1C)c1ccnc(Nc2ccc(cc2)N2CCN(C)CC2)n1

BDBM50279904

COc1ccc(cc1)N=NCc1cc(O)ccc1O |w:8.8|

BDBM50279903

COc1ccc(cc1)N=NCc1ccc(O)c(O)c1 |w:8.8|

BDBM50279910

COc1ccc(cc1)N=NCc1cccc(O)c1O |w:8.8|

BDBM50149288

COc1ccc(cc1CSc1nnc(N)s1)[N+]([O-])=O

BDBM50241731

COc1ccc(cc1N)-c1n[nH]c(NCc2c(F)cccc2Cl)n1

BDBM41575

COc1ccc(cc1Nc1ncc2CCc3c(nn(C)c3-c2n1)C(N)=O)N1CCN(C)CC1

BDBM50538507

COc1ccc(cc1OC)-c1cnn2c(N)c(-c3ccccc3)c(OC3CCN(C)CC3)nc12

BDBM50538509

COc1ccc(cc1OC)-c1cnn2c(N)c(-c3nccs3)c(OC3CCN(C)CC3)nc12

BDBM50241732

COc1ccc(cc1OC)-c1n[nH]c(NCc2c(F)cccc2Cl)n1

BDBM50011432

COc1ccc(cc1OC)-c1oc2ccccc2c(=O)c1C(O)=O

BDBM50364832

COc1ccc(cc1\C=C\c1ccc(Cl)cc1)C(=O)NC[C@@H](O)CO |r|

BDBM50364833

COc1ccc(cc1\C=C\c1ccc(Cl)cc1)C(=O)NC[C@H](O)CO |r|

BDBM50071677

COc1ccc2C(=O)\C(=C/c3cc(Br)c(O)c(Br)c3)C(=O)c2c1

BDBM50071682

COc1ccc2C(=O)\C(=C/c3cc(Br)c(O)c(OC)c3)C(=O)c2c1

BDBM50071681

COc1ccc2C(=O)\C(=C/c3ccc(O)c(O)c3)C(=O)c2c1

BDBM50305127

COc1ccc2CCn3nc(c(C(N)=O)c3Nc2c1)-c1ccc(Oc2ccccc2)cc1

BDBM50305128

COc1ccc2Nc3c(C(N)=O)c(nn3CCc2c1)-c1ccc(Oc2ccccc2)cc1

BDBM50022173

COc1ccc2c(CC(O)=O)cc(=O)oc2c1

BDBM24466

COc1ccc2c(Oc3ccc(NC(=O)c4c(C)n(CC(C)(C)O)n(-c5ccccc5)c4=O)nc3)ccnc2c1

BDBM100152

COc1ccc2c(c1)[nH]c1c(C)nccc21

BDBM50120122

COc1ccc2c(c1)nc(Nc1c(C)cccc1Cl)c1cncn21

BDBM50011422

COc1ccc2c(c1)oc(-c1ccc(O)cc1)c(C(O)=O)c2=O

BDBM50011420

COc1ccc2c(c1)oc(-c1ccc(cc1)[N+]([O-])=O)c(C(O)=O)c2=O

BDBM50025483

COc1ccc2c(c1)oc(cc2=O)-c1cc(OC)c(OC)c(OC)c1

BDBM50503101

COc1ccc2c(cnn2c1)C(=O)Nc1ccc(NC(=O)c2nn(C)c3ccccc23)cc1C

BDBM50503102

COc1ccc2c(cnn2c1)C(=O)Nc1ccc(NC(=O)c2nn(C3CCN(CC3)C(=O)CC(C)(C)C#N)c3ccc(F)cc23)cc1Cl

BDBM50503106

COc1ccc2c(cnn2c1)C(=O)Nc1ccc(NC(=O)c2nn(C3CCN(CC3)C(=O)NC(C)(C)C)c3ccc(F)cc23)cc1Cl

BDBM50503098

COc1ccc2c(cnn2c1)C(=O)Nc1ccc(NC(=O)c2nn(C3CCN(CC3)C(=O)NC(C)(C)C)c3ccccc23)cc1C

BDBM50112947

COc1ccc2c(nc(Nc3c(C)cccc3C)c3cncn23)c1OC

BDBM50112914

COc1ccc2c(nc(Nc3c(C)cccc3Cl)c3cnc(C(C)O)n23)c1OC

BDBM50112944

COc1ccc2c(nc(Nc3c(C)cccc3Cl)c3cnc(C(O)C(C)C)n23)c1OC

BDBM50112926

COc1ccc2c(nc(Nc3c(C)cccc3Cl)c3cnc(C)n23)c1OC

BDBM50112956

COc1ccc2c(nc(Nc3c(C)cccc3Cl)c3cnc(C=O)n23)c1OC

BDBM50112939

COc1ccc2c(nc(Nc3c(C)cccc3Cl)c3cnc(CCCO)n23)c1OC

BDBM50112938

COc1ccc2c(nc(Nc3c(C)cccc3Cl)c3cnc(CN=O)n23)c1OC

BDBM50112948

COc1ccc2c(nc(Nc3c(C)cccc3Cl)c3cnc(CO)n23)c1OC

BDBM50112911

COc1ccc2c(nc(Nc3c(C)cccc3Cl)c3cncn23)c1OC

BDBM50213412

COc1ccc2cc(C(=O)Nc3ccc(O)cc3)c(=N)oc2c1

BDBM50345739

COc1ccc2cc(ccc2c1)-c1nn(C(C)C)c2ncnc(N)c12

BDBM50383380

COc1ccc2cc(ccc2c1)-c1nn(CC2CCNCC2)c2ncnc(N)c12

BDBM50120109

COc1ccc2nc(Nc3c(C)cccc3Cl)c3cncn3c2c1

BDBM50291082

COc1ccc2ncnc(Nc3cc(OC)c(OC)c(OC)c3)c2c1

BDBM50011459

COc1ccc2oc(-c3ccc(cc3)[N+]([O-])=O)c(C(O)=O)c(=O)c2c1

BDBM50213367

COc1ccc2oc(=N)c(cc2c1)C(=O)Nc1ccc(O)cc1

BDBM50025484

COc1ccc2oc(cc(=O)c2c1)-c1cc(OC)c(OC)c(OC)c1

BDBM50074252

COc1cccc(CNC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc2ccc(OP(O)(O)=O)cc2)NC(C)=O)c1

BDBM459443

COc1cccc(F)c1-c1nccc(n1)C(=O)Nc1cc(F)c2n(C)ncc2c1N1CC[C@@H](N)C1 |r|

BDBM50405896

COc1cccc(F)c1-c1nccc(n1)C(=O)Nc1ccc2n(C)cnc2c1N1CC[C@@H](N)C1 |r|

BDBM50405897

COc1cccc(F)c1-c1nccc(n1)C(=O)Nc1ccc2sc(C)nc2c1N1CC[C@@H](N)C1 |r|

BDBM50311903

COc1cccc(NC(=O)c2ccc(C)c(Nc3nc4ccccc4n3-c3cc(N)ncn3)c2)c1

BDBM50020444

COc1cccc(Nc2ncc(NC(=O)c3cc(NC(=O)c4cccc(c4)C(F)(F)F)ccc3C)cn2)c1

BDBM50188355

COc1cccc(Nc2ncc3C=C(N4N(CCC4=O)c3n2)c2c(Cl)cccc2Cl)c1 |c:12|

BDBM50129338

COc1cccc(OC)c1NC(=O)c1ccc2nc(NC(=O)OC(C)(C)C)sc2c1

BDBM50524300

COc1cccc(OCCCN)c1-c1cc(Nc2cnc(cn2)C#N)n[nH]1

BDBM50467630

COc1cccc(OCc2cc(C)ccn2)c1-c1ccc2CCNCCc2c1

BDBM484202

COc1cccc(Oc2ccc(cc2)-c2nc([C@@H]3CCCCN3C(=O)C#CC)n3ccnc(C)c23)c1F |r|

BDBM484228

COc1cccc(Oc2ccc(cc2)-c2nc([C@@H]3CCCCN3C(=O)C=C)n3ccnc(C)c23)c1F |r|

BDBM480004

COc1cccc(Oc2ccc(cc2)-c2nc([C@@H]3CCCN(C3)C(=O)C=C)n3ccncc23)c1F |r|

BDBM484217

COc1cccc(Oc2ccc(cc2)-c2nc([C@@H]3CCCN3C(=O)C=C)n3ccncc23)c1 |r|

BDBM484231

COc1cccc(Oc2ccc(cc2)-c2nc([C@@H]3CCCN3C(=O)C=C)n3ccncc23)c1F |r|

BDBM589232

COc1cccc(Oc2ccc(cc2)-c2nc([C@@H]3CCCNC3C(=O)C#CC)n3ccnc(C)c23)c1F |r|

BDBM50457316

COc1cccc(Oc2ccc(cc2)-c2nn([C@@H]3CCCN(C3)C(=O)C=C)c3c(OC)cncc23)c1F |r|

BDBM444636

COc1cccc(Oc2ccc(cc2)-c2nn([C@@H]3CCCNC3)c3c(OC)cncc23)c1F

BDBM408586

COc1cccc(Oc2ccc(cc2)-n2c3cnccc3n([C@@H]3CCN(C3)C(=O)C=C)c2=O)c1

BDBM408590

COc1cccc(Oc2ccc(cc2)-n2c3cnccc3n([C@H]3CCCN(C3)C(=O)C=C)c2=O)c1Cl

BDBM50289371

COc1cccc(Oc2nc(Nc3ccc(cc3)N3CCOCC3)ncc2NC(=O)Nc2cc(OC)cc(OC)c2)c1

BDBM50288937

COc1cccc(Oc2nc(Nc3ccc(cc3)N3CCOCC3)ncc2\N=C\c2cc(OC)cc(OC)c2)c1

BDBM50097974

COc1cccc(c1)-c1cn(C2CCN(CCN(C)CCO)CC2)c2ncnc(N)c12

BDBM50374626

COc1cccc(c1)-n1c2nc3ccccc3n2c2nc(Nc3ccc(cc3)N3CCN(C)CC3)ncc2c1=O

BDBM50260918

COc1cccc(c1)-n1ccc(C)c(-c2ccc3nc(N)ncc3c2)c1=O

BDBM50365217

COc1cccc(c1)C(=O)c1sc(Nc2ccc(cc2)N2CCN(CC2)C(C)C)nc1N

BDBM50120129

COc1cccc2c1nc(Nc1c(C)cccc1Cl)c1cncn21

BDBM50120099

COc1cccc2nc(Nc3c(C)cccc3Cl)c3cncn3c12

BDBM50299218

COc1ccccc1-n1c(cn2c1nc1n(C)c(=O)[nH]c(=O)c21)-c1cc(O)ccc1C |(16.89,-42.99,;16.89,-41.45,;18.23,-40.68,;19.55,-41.45,;20.88,-40.68,;20.88,-39.14,;19.55,-38.38,;18.23,-39.15,;16.9,-38.38,;16.91,-36.84,;15.44,-36.35,;14.53,-37.6,;15.43,-38.85,;14.53,-40.09,;13.06,-39.61,;11.74,-40.37,;11.73,-41.91,;10.41,-39.61,;9.07,-40.38,;10.41,-38.07,;11.74,-37.29,;11.74,-35.75,;13.06,-38.07,;18.24,-36.06,;19.58,-36.83,;20.9,-36.05,;22.24,-36.81,;20.9,-34.51,;19.55,-33.75,;18.23,-34.53,;16.89,-33.77,)|

BDBM26380

COc1ccccc1C(=O)Nc1ccc(C)c(c1)C(=O)Nc1cnc(Nc2ccc(cc2)N2CCN(C)CC2)nc1

BDBM50074258

COc1ccccc1CNC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(OP(O)(O)=O)cc1)NC(C)=O

BDBM50425861

COc1ccccc1CNc1ncc(C(=O)NC2CCN(C)CC2)c(NC2CCCC2)n1

BDBM17726

COc1ccccc1N(C(=O)Oc1c(C)cccc1C)c1ccnc(Nc2ccc(cc2)N2CCN(C)CC2)n1

BDBM50289477

COc1ccccc1NC(=O)Nc1cnc(Nc2ccc(cc2)N2CCOCC2)nc1Oc1ccc(C)cc1OC

BDBM50112915

COc1ccccc1Nc1nc2ccccc2n2cncc12

BDBM50188345

COc1ccccc1Nc1ncc2C=C(N3N(CCC3=O)c2n1)c1c(Cl)cccc1Cl |c:14|

BDBM50092239

COc1ccccc1Oc1ccc(cc1)-c1cn(C2CCCC2)c2ncnc(N)c12

BDBM50529755

COc1ccccc1\C=C\c1nc(Nc2ccc3OCOc3c2)c2ccccc2n1

BDBM50529756

COc1ccccc1\C=C\c1nc2ccccc2c(=O)[nH]1

BDBM340186

COc1ccnc(NC(=O)c2ccc(cc2)-c2nc([C@@H]3CCCN3C(=O)C#CC)n3ccnc(N)c23)c1 |r|

BDBM50452728

COc1ccncc1NC(=O)c1ccnc(NC(=O)C2CC2)c1

BDBM50513866

COc1n[nH]c2ncc(cc12)-c1cn(nn1)-c1c(F)ccc(NS(=O)(=O)c2cccc(c2)-c2ccccc2)c1F

BDBM50372709

COc1nc(NC2CCN(C)CC2)ncc1C(=O)Nc1cc(ccc1C)C(=O)Nc1cccc(c1)C(F)(F)F

BDBM50372713

COc1nc(NCCCCN(C)C)ncc1C(=O)Nc1cc(ccc1C)C(=O)Nc1cccc(c1C)C(F)(F)F

BDBM50372714

COc1nc(NCCCN2CCN(C)CC2)ncc1C(=O)Nc1cc(ccc1C)C(=O)Nc1cccc(c1C)C(F)(F)F

BDBM50372711

COc1nc(NCCN2CCOCC2)ncc1C(=O)Nc1cc(ccc1C)C(=O)Nc1cccc(c1)C(F)(F)F

BDBM50372706

COc1nc(Nc2ccc(cc2)N2CCN(C)CC2)ncc1C(=O)Nc1cc(ccc1C)C(=O)Nc1cccc(c1F)C(F)(F)F

BDBM50536410

COc1ncc(cc1NS(C)(=O)=O)-c1cc2COCc2c(NC(=O)CN2CCOCC2)c1

BDBM15458

COc1nccc(n1)-c1c(ncn1C1CCNCC1)-c1ccc(F)cc1

BDBM50105742

COc1nccc(n1)-c1c(ncn1[C@H]1CC[C@H](O)CC1)-c1ccc(F)cc1 |wU:16.18,wD:13.14,(3.13,-3.72,;3.16,-2.18,;4.5,-1.42,;4.53,.13,;5.87,.86,;7.2,.06,;7.17,-1.48,;5.82,-2.22,;8.5,-2.27,;8.7,-3.8,;10.21,-4.09,;10.93,-2.74,;9.88,-1.62,;10.17,-.1,;11.64,.4,;11.93,1.91,;10.77,2.91,;11.06,4.43,;9.31,2.4,;9.02,.89,;7.63,-4.91,;8.06,-6.39,;6.98,-7.48,;5.49,-7.1,;4.43,-8.22,;5.06,-5.63,;6.14,-4.53,)|

BDBM50069242

COn1cc2C[C@@H]3[C@@H](C=C(C)CN3C)c3cccc1c23 |t:8|

BDBM50393541

CS(=O)(=O)CCN1CCC(CC1)c1ccc(NC(=O)c2ncc([nH]2)C#N)c(c1)C1=CCCCC1 |t:31|

BDBM5445

CS(=O)(=O)CCNCc1ccc(o1)-c1ccc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2c1

BDBM25028

CS(=O)(=O)N1CCN(Cc2cc3nc(nc(N4CCOCC4)c3s2)-c2cccc3[nH]ncc23)CC1

BDBM309831

CS(=O)(=O)N[C@@H]1CCCN(C1)c1cnc(C(N)=O)c(Nc2ccc(cc2)C2CCN(CC2)C2CCCC2)n1 |r|

BDBM50521216

CS(=O)(=O)Nc1cc(cnc1Cl)-c1ccncc1

BDBM50463479

CS(=O)(=O)Nc1cccc(CC(=O)Nc2nc(cs2)-c2c[nH]c3ncccc23)c1

BDBM50255012

CS(=O)(=O)c1ccc(CNCc2cc(C(O)=O)c(Nc3ccc(I)cc3F)c(F)c2F)cc1

BDBM309676

CS(=O)(=O)c1ccc(Nc2nc(cnc2C(N)=O)N2CCC[C@H](C2)NC(=O)N2CCCCC2)cc1 |r|

BDBM13336

CS(=O)c1ccc(cc1)-c1nc(c([nH]1)-c1ccc(F)cc1)-c1ccncc1

BDBM6568

CSc1cccc(Nc2ncc3cc(-c4c(Cl)cccc4Cl)c(=O)n(C)c3n2)c1 |(-12.18,1.86,;-10.84,1.09,;-9.51,1.86,;-9.51,3.4,;-8.18,4.17,;-6.84,3.4,;-6.84,1.86,;-5.51,1.08,;-4.18,1.85,;-4.18,3.39,;-2.84,4.16,;-1.51,3.4,;-.18,4.17,;1.16,3.4,;2.49,4.17,;2.49,5.71,;1.16,6.48,;3.83,6.48,;5.16,5.71,;5.16,4.17,;3.83,3.39,;3.83,1.85,;1.16,1.86,;2.49,1.09,;-.18,1.09,;-.18,-.45,;-1.51,1.86,;-2.84,1.08,;-8.18,1.08,)|

BDBM50348621

CSc1cn2c(cnc2c(Nc2cc(C)ns2)n1)-c1cn[nH]c1

BDBM50329197

C[C@@H](N1C[C@H](C)O[C@H](C)C1)c1cc(Nc2nc(C)cn3c(cnc23)-c2cn[nH]c2)sn1 |r|

BDBM50301625

C[C@@H](Nc1nccc(n1)-n1cnc2ccccc12)c1ccccc1 |r|

BDBM50184807

C[C@@H](O)COc1cn2ncnc(Oc3ccc4[nH]c(C)cc4c3F)c2c1C

BDBM50385915

C[C@@H](Oc1cc(ccc1C(N)=O)-c1cc(cnc1N)-c1cc(CN(C)C)cs1)\C=C/C(F)(F)F |r|

BDBM50306682

C[C@@H](Oc1cc(cnc1N)-c1cnn(c1)C1CCNCC1)c1c(Cl)ccc(F)c1Cl |r|

BDBM50355500

C[C@@H](Oc1cc(sc1C(N)=O)-n1cnc2ccc(CN3CCN(C)CC3)cc12)c1ccccc1C(F)(F)F |r|

BDBM50306677

C[C@@H](Oc1ccc2ncc(\C=C\C(N)=O)cc2c1)c1c(Cl)ccc(F)c1Cl |r|

BDBM50306684

C[C@@H](Oc1ccc2ncc(cc2c1)C1CC1C(N)=O)c1c(Cl)ccc(F)c1Cl |r|

BDBM50306683

C[C@@H](Oc1ccc2ncccc2c1)c1c(Cl)ccc(F)c1Cl |r|

BDBM50253152

C[C@@H](Oc1nncc2cc(ccc12)-c1cc(ccc1C)C(=O)NC1CC1)C(F)(F)F |r|

BDBM50064843

C[C@@H]([C@@H]1NC(=O)[C@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(C)(C)SSC[C@@H](NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](CO)NC(=O)CNC1=O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(N)=N)C(N)=O)c1ccc2ccccc2c1

BDBM50064837

C[C@@H]([C@H]1NC(=O)[C@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(C)(C)SSC[C@@H](NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](CO)NC(=O)CNC1=O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(N)=N)C(N)=O)c1ccc2ccccc2c1

BDBM50360610

C[C@@H]1CCC(CN1)N1CC[C@@]2(C1)CN(C(=O)c1cc3ccc(F)cc3[nH]1)c1ccccc21 |r|

BDBM50360609

C[C@@H]1CCC(CN1)N1CC[C@@]2(C1)CN(C(=O)c1cc3ccccc3[nH]1)c1ccccc21 |r|

BDBM50193995

C[C@@H]1CCN(C[C@@H]1N(C)c1ncnc2[nH]ccc12)C(=O)CC#N |r|

BDBM309821

C[C@@H]1CCN(C[C@@H]1NC(=O)N(C)C)c1cnc(C(N)=O)c(Nc2ccc(cc2)C2CCN(CC2)C2CCCC2)n1 |r|

BDBM106870

C[C@@H]1C[C@H](N)C[C@@H](C1)c1ccncc1NC(=O)c1ccc(F)c(n1)-c1c(F)cccc1F |r,wU:6.8,3.3,1.0,(-.67,2.69,;-2,1.93,;-3.33,2.69,;-4.67,1.93,;-6,2.69,;-4.67,.38,;-3.33,-.38,;-2,.38,;-3.33,-1.93,;-4.67,-2.69,;-4.67,-4.23,;-3.33,-5,;-2,-4.23,;-2,-2.69,;-.67,-1.93,;.67,-2.69,;.67,-4.23,;2,-1.93,;3.33,-2.69,;4.67,-1.93,;4.67,-.38,;6,.38,;3.33,.38,;2,-.38,;3.33,1.93,;4.67,2.69,;6,1.93,;4.67,4.23,;3.33,5,;2,4.23,;2,2.69,;.67,1.93,)|

BDBM50537742

C[C@@H]1C[C@H]1C(=O)N1CCN(C[C@H]1C)c1cnc(C#N)c(n1)-c1cnn(C)c1 |r|

BDBM309783

C[C@@H]1[C@@H](CCCN1c1cnc(C#N)c(Nc2ccc(cc2)C2(C)CCN(CC2)C(=O)OC(C)(C)C)n1)N1CCN(C)C1=O |r|

BDBM309781

C[C@@H]1[C@@H](CCCN1c1cnc(C#N)c(Nc2ccc(cc2)C2(CCN(CC2)C2CCCC2)C#N)n1)NC(=O)N(C)C |r|

BDBM309812

C[C@@H]1[C@@H](CCCN1c1cnc(C#N)c(Nc2ccc(cc2)C2CCN(CC2)C2CCCC2)n1)N1CCCN(C)C1=O |r|

BDBM309773

C[C@@H]1[C@@H](CCCN1c1cnc(C(N)=O)c(Nc2cc(C)ns2)n1)NC(=O)N(C)C |r|

BDBM309776

C[C@@H]1[C@@H](CCCN1c1cnc(C(N)=O)c(Nc2ccc(cc2)C2(C)CCN(CC2)C(=O)OC(C)(C)C)n1)NC(=O)N(C)C |r|

BDBM309778

C[C@@H]1[C@@H](CCCN1c1cnc(C(N)=O)c(Nc2ccc(cc2)C2(C)CCN(CC2)C2CC2)n1)NC(=O)N(C)C |r|

BDBM309785

C[C@@H]1[C@@H](CCCN1c1cnc(C(N)=O)c(Nc2ccc(cc2)C2(C)CCN(CC2)C2CCC2)n1)N1CCN(C)C1=O |r|

BDBM309777

C[C@@H]1[C@@H](CCCN1c1cnc(C(N)=O)c(Nc2ccc(cc2)C2(C)CCN(CC2)C2CCC2)n1)NC(=O)N(C)C |r|

BDBM309784

C[C@@H]1[C@@H](CCCN1c1cnc(C(N)=O)c(Nc2ccc(cc2)C2(C)CCN(CC2)C2CCCC2)n1)N1CCN(C)C1=O |r|

BDBM309771

C[C@@H]1[C@@H](CCCN1c1cnc(C(N)=O)c(Nc2ccc(cc2)C2(CC2)C#N)n1)NC(=O)N(C)C |r|

BDBM309770

C[C@@H]1[C@@H](CCCN1c1cnc(C(N)=O)c(Nc2ccc(cc2)C2(CC2)C(F)(F)F)n1)NC(=O)N(C)C |r|

BDBM309772

C[C@@H]1[C@@H](CCCN1c1cnc(C(N)=O)c(Nc2ccc(cc2)C2(CC2)C(N)=O)n1)NC(=O)N(C)C |r|

BDBM309782

C[C@@H]1[C@@H](CCCN1c1cnc(C(N)=O)c(Nc2ccc(cc2)C2(CCN(CC2)C2CCCC2)C(N)=O)n1)NC(=O)N(C)C |r|

BDBM309769

C[C@@H]1[C@@H](CCCN1c1cnc(C(N)=O)c(Nc2ccc(cc2)C2CCN(CC2)C2CCC2)n1)NC(=O)N(C)C |r|

BDBM309763

C[C@@H]1[C@@H](CCCN1c1cnc(C(N)=O)c(Nc2ccc(cc2)C2CCN(CC2)C2CCCC2)n1)NC(=O)N(C)C |r|

BDBM309775

C[C@@H]1[C@@H](CCCN1c1cnc(C(N)=O)c(Nc2ccc(cc2)S(C)(=O)=O)n1)NC(=O)N(C)C |r|

BDBM372367

C[C@H](NC(=O)C=C)c1nc(-c2ccc(cc2)C(=O)Nc2ccccn2)c2c(N)nccn12 |r|

BDBM372308

C[C@H](NC(=O)c1ccnc(Cl)n1)c1nc(-c2ccc(cc2)C(=O)Nc2ccccn2)c2c(N)nccn12 |r|

BDBM15459

C[C@H](Nc1cc(ccn1)-c1c(nc(C2CCNCC2)n1C)-c1cccc(c1)C(F)(F)F)c1ccccc1 |r|

BDBM50343726

C[C@H](Nc1nc(Nc2cc(C)n[nH]2)c(F)cc1C#N)c1ccc(F)cn1 |r|

BDBM15240

C[C@H](Nc1nccc(n1)-c1c(nc(C2CCNCC2)n1C)-c1cccc(c1)C(F)(F)F)c1ccccc1 |r|

BDBM50301610

C[C@H](Nc1nccc(n1)-n1c(C)nc2ccccc12)c1ccccc1 |r|

BDBM50301613

C[C@H](Nc1nccc(n1)-n1cnc2cc(C)c(C)cc12)c1ccccc1 |r|

BDBM50301611

C[C@H](Nc1nccc(n1)-n1cnc2cc(C)ccc12)c1ccccc1 |r|

BDBM50301614

C[C@H](Nc1nccc(n1)-n1cnc2cc(N)ccc12)c1ccccc1 |r|

BDBM50301619

C[C@H](Nc1nccc(n1)-n1cnc2cc(ccc12)-c1ccnc(N)n1)[C@@H]1CN(CCN1C)C(=O)Nc1cccc2ccccc12 |r|

BDBM50301616

C[C@H](Nc1nccc(n1)-n1cnc2cc(ccc12)-c1ccnc(N)n1)c1ccccc1 |r|

BDBM50301624

C[C@H](Nc1nccc(n1)-n1cnc2cc(ccc12)-c1ccncc1)[C@@H]1CN(CCN1C)C(=O)Nc1cccc2ccccc12 |r|

BDBM50301623

C[C@H](Nc1nccc(n1)-n1cnc2cc(ccc12)-c1ccncc1)c1ccccc1 |r|

BDBM50301612

C[C@H](Nc1nccc(n1)-n1cnc2ccc(C)cc12)c1ccccc1 |r|

BDBM50301615

C[C@H](Nc1nccc(n1)-n1cnc2ccc(N)cc12)c1ccccc1 |r|

BDBM50301576

C[C@H](Nc1nccc(n1)-n1cnc2ccccc12)C1CCCCC1 |r|

BDBM50301609

C[C@H](Nc1nccc(n1)-n1cnc2ccccc12)[C@@H]1CN(CCN1C(C)=O)C(=O)Nc1cccc2ccccc12 |r|

BDBM50301603

C[C@H](Nc1nccc(n1)-n1cnc2ccccc12)[C@@H]1CN(CCN1C)C(=O)Nc1cccc2ccccc12 |r|

BDBM50301607

C[C@H](Nc1nccc(n1)-n1cnc2ccccc12)[C@@H]1CN(CCN1c1ccncc1)C(=O)Nc1cccc2ccccc12 |r|

BDBM50301588

C[C@H](Nc1nccc(n1)-n1cnc2ccccc12)[C@H]1CCCN(C1)C(=O)Nc1cccc2ccccc12 |r|

BDBM50301621

C[C@H](Nc1nccc(n1)-n1cnc2ccccc12)[C@]1(C)CN(CCN1C)C(=O)Nc1cccc2ccccc12 |r|

BDBM50301575

C[C@H](Nc1nccc(n1)-n1cnc2ccccc12)c1cccc(c1)[N+]([O-])=O |r|

BDBM50301622

C[C@H](Nc1nccc(n1)-n1cnc2ccccc12)c1ccccc1 |r|

BDBM50252782

C[C@H](Oc1nncc2cc(ccc12)-c1cc(ccc1C)C(=O)NC1CC1)C(F)(F)F |r|

BDBM50064847

C[C@H]([C@@H]1NC(=O)[C@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(C)(C)SSC[C@@H](NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](CO)NC(=O)CNC1=O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(N)=N)C(N)=O)c1ccc2ccccc2c1

BDBM50064828

C[C@H]([C@H]1NC(=O)[C@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(C)(C)SSC[C@@H](NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](CO)NC(=O)CNC1=O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(N)=N)C(N)=O)c1ccc2ccccc2c1

BDBM267790

C[C@H]1CC[C@H](CN1C(=O)C1CC1)c1nc(-c2ccc(cc2F)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)nccn12 |r|

BDBM50545650

C[C@H]1CN(C(=O)CC#N)[C@]11CCN(C1)c1ncnc2[nH]ccc12 |r|

BDBM50252779

C[C@H]1COCCN1c1nncc2cc(ccc12)-c1cc(ccc1C)C(=O)NC1CC1 |r|

BDBM309764

C[C@H]1[C@@H](CCCN1c1cnc(C(N)=O)c(Nc2ccc(cc2)C2CCN(CC2)C2CCCC2)n1)NC(=O)N(C)C |r|

BDBM50308060

C[C@]12O[C@H](C[C@]1(O)CO)n1c3ccccc3c3c4C(=O)NCc4c4c5ccccc5n2c4c13 |r|

BDBM50486143

C[N+](C)(C)[C@H](CCOc1c(Br)cc(Br)cc1Br)C([O-])=O |r|

BDBM50486144

C[N+](C)(C)[C@H](CCOc1c(Br)cc(Br)cc1I)C([O-])=O |r|

BDBM50486138

C[N+](C)(C)[C@H](CCOc1c(Cl)cc(Br)cc1Cl)C([O-])=O |r|

BDBM50486141

C[N+](C)(C)[C@H](CCOc1ccc(Br)cc1Br)C([O-])=O |r|

BDBM50486140

C[N+](C)(C)[C@H](Cc1cc(Br)c(O)c(I)c1)C([O-])=O |r|

BDBM50486136

C[N+](C)(C)[C@H](Cc1cc(I)c(O)c(I)c1)C([O-])=O |r|

BDBM340077

C\C=C\C(=O)N1CCC[C@H]1c1nc(-c2ccc(cc2)C(=O)Nc2ccccn2)c2c(N)nccn12 |r|

BDBM50126736

Cc1[nH]c(=O)c2c3n(C)c(Nc4c(Cl)cccc4Cl)nc3c(CNCCO)cc2c1C

BDBM50126756

Cc1[nH]c(=O)c2c3n(C)c(Nc4c(Cl)cccc4Cl)nc3c(cc2c1C)-c1ccc(F)nc1F

BDBM50126734

Cc1[nH]c(=O)c2c3n(C)c(Nc4c(Cl)cccc4Cl)nc3ccc2c1C

BDBM50126745

Cc1[nH]c(=O)c2c3n(C)c(Nc4c(Cl)cccc4Cl)nc3ccc2c1CC(=O)N1CCCC1

BDBM50126747

Cc1[nH]c(=O)c2c3n(C)c(Nc4c(Cl)cccc4Cl)nc3ccc2c1CC(=O)N1CCOCC1

BDBM50126760

Cc1[nH]c(=O)c2c3n(C)c(Nc4c(Cl)cccc4Cl)nc3ccc2c1CCC(=O)N1CCOCC1

BDBM50126753

Cc1[nH]c(=O)c2c3n(C)c(Nc4c(Cl)cccc4Cl)nc3ccc2c1CCCN1CCOCC1

BDBM50126738

Cc1[nH]c(=O)c2c3n(C)c(Nc4c(Cl)cccc4Cl)nc3ccc2c1CCN1CCOCC1

BDBM50126730

Cc1[nH]c(=O)c2c3n(C)c(Nc4c(Cl)cccc4Cl)nc3ccc2c1CCO

BDBM50116405

Cc1[nH]c(=O)c2c3nc(Nc4c(Br)cc(Br)cc4Br)[nH]c3ccc2c1C

BDBM50116401

Cc1[nH]c(=O)c2c3nc(Nc4c(Cl)cc(Cl)cc4Cl)[nH]c3ccc2c1C

BDBM50116391

Cc1[nH]c(=O)c2c3nc(Nc4c(Cl)cccc4Cl)[nH]c3ccc2c1C

BDBM50126758

Cc1[nH]c(=O)c2c3nc(Nc4c(Cl)cccc4Cl)n(C)c3ccc2c1C

BDBM50116408

Cc1[nH]c(=O)c2c3nc(Nc4ccccc4Cl)[nH]c3ccc2c1C

BDBM31095

Cc1[nH]c(\C=C2/C(=O)Nc3ccc(F)cc23)c(C)c1C(=O)NC[C@H](O)CN1CCOCC1

BDBM50242737

Cc1[nH]c(\C=C2/C(=O)Nc3ccc(cc23)S(=O)(=O)Cc2c(Cl)cccc2Cl)c(C)c1C(=O)N1CCC[C@@H]1CN1CCCC1 |r|

BDBM164808

Cc1[nH]c2c(ccc(-c3cccc(NC(=O)C=C)c3C)c2c1C)C(N)=O

BDBM165209

Cc1[nH]c2c(ccc(-c3cccc(NS(=O)(=O)C=C)c3C)c2c1C)C(N)=O

BDBM50111434

Cc1[nH]cnc1-c1[nH]ccc2c3ccccc3nc12

BDBM50092238

Cc1c(-c2ccc(Oc3ccccc3)cc2)c2c(N)ncnc2n1C1CCCC1

BDBM50126748

Cc1c(C=C)[nH]c(=O)c2c3n(C)c(Nc4c(Cl)cccc4Cl)nc3ccc12

BDBM50126735

Cc1c(C=CCN)[nH]c(=O)c2c3n(C)c(Nc4c(Cl)cccc4Cl)nc3ccc12 |w:4.4|

BDBM50126739

Cc1c(C=CCN2CCCC2)[nH]c(=O)c2c3n(C)c(Nc4c(Cl)cccc4Cl)nc3ccc12 |w:4.4|

BDBM50126749

Cc1c(C=CCN2CCOCC2)[nH]c(=O)c2c3n(C)c(Nc4c(Cl)cccc4Cl)nc3ccc12 |w:4.4|

BDBM50126755

Cc1c(C=O)[nH]c(=O)c2c3n(C)c(Nc4c(Cl)cccc4Cl)nc3ccc12

BDBM50126752

Cc1c(CC=O)[nH]c(=O)c2c3n(C)c(Nc4c(Cl)cccc4Cl)nc3ccc12

BDBM50126737

Cc1c(CNCc2ccccc2)[nH]c(=O)c2c3n(C)c(Nc4c(Cl)cccc4Cl)nc3ccc12

BDBM50126733

Cc1c(CO)[nH]c(=O)c2c3n(C)c(Nc4c(Cl)cccc4Cl)nc3ccc12

BDBM377342

Cc1c(NC(=O)C=C)cccc1-c1ccc(C(N)=O)c2[nH]c3CC(CCc3c12)C(C)(C)O

BDBM50263132

Cc1c(Nc2c(cnc3sc(\C=C\C(=O)N4CCCC4)cc23)C#N)ccc2[nH]ccc12

BDBM50126754

Cc1c([nH]c(=O)c2c3n(C)c(Nc4c(Cl)cccc4Cl)nc3ccc12)C(O)C=C

BDBM50194699

Cc1c(cccc1-c1ccc2nc(N)ncc2c1)C(=O)Nc1cccc(c1)C(F)(F)F

BDBM50463559

Cc1c(cccc1-n1cnc2ccccc2c1=O)-c1ccc(C(N)=O)c2[nH]c3CC(CCc3c12)C(C)(C)O

BDBM50194715

Cc1c(cccc1-n1cnc2ccccc2c1=O)-c1ccc(C(O)=N)c2[nH]c3cc(ccc3c12)C(C)(C)O

BDBM50593049

Cc1c(ccnc1C#Cc1ccc2c3c(oc2c1)C(C)(C)c1cc(NS(C)(=O)=O)ccc1C3=O)C(=O)NC(C)(C)C

BDBM50348880

Cc1c(cn2ncnc(Nc3cc(ccc3C)C(=O)NC3CC3)c12)C(=O)c1ccccc1

BDBM50004233

Cc1c2[nH]c3ccccc3c2c(C)c2cnccc12

BDBM50503108

Cc1cc(=O)[nH]nc1-c1ccc(NC(=O)c2nn(C3CCN(CC3)C(=O)NC(C)(C)C)c3ccccc23)cc1Cl

BDBM50086192

Cc1cc(=O)n([nH]1)-c1ccc(cc1)C(=O)NCCCNC(=O)C(Cc1ccc(OP(O)(O)=O)cc1)NC(=O)Cc1cc(=O)oc2cc(O)ccc12

BDBM50129359

Cc1cc(Br)cc(C)c1NC(=O)c1ccc2nc(NC(=O)OC(C)(C)C)sc2c1

BDBM50129319

Cc1cc(Br)ccc1NC(=O)c1ccc2nc(NC(=O)OC(C)(C)C)sc2c1

BDBM50129365

Cc1cc(C)c(NC(=O)c2cc(C)c3nc(NC(=O)OC(C)(C)C)sc3c2)c(C)c1

BDBM50129363

Cc1cc(C)c(NC(=O)c2cc3sc(NC(=O)OC(C)(C)C)nc3cc2Cl)c(C)c1

BDBM50129306

Cc1cc(C)c(NC(=O)c2ccc3nc(N)[nH]c3c2)c(C)c1

BDBM50129317

Cc1cc(C)c(NC(=O)c2ccc3nc(N)oc3c2)c(C)c1

BDBM50129326

Cc1cc(C)c(NC(=O)c2ccc3nc(N)sc3c2)c(C)c1

BDBM50129303

Cc1cc(C)c(NC(=O)c2ccc3nc(N)sc3n2)c(C)c1

BDBM50129318

Cc1cc(C)c(NC(=O)c2ccc3nc(NC(=O)C4CC4)sc3c2)c(C)c1

BDBM50129339

Cc1cc(C)c(NC(=O)c2ccc3nc(NC(=O)NC(C)(C)C)sc3c2)c(C)c1

BDBM50129299

Cc1cc(C)c(NC(=O)c2ccc3nc(NC(=O)NC4CC4)sc3c2)c(C)c1

BDBM50129357

Cc1cc(C)c(NC(=O)c2ccc3nc(NC(=O)NCc4ccccc4)sc3c2)c(C)c1

BDBM50129308

Cc1cc(C)c(NC(=O)c2ccc3nc(NC(=O)Nc4ccccc4)sc3c2)c(C)c1

BDBM50129328

Cc1cc(C)c(NC(=O)c2ccc3nc(NC(=O)OC(C)(C)C)[nH]c3c2)c(C)c1

BDBM50129361

Cc1cc(C)c(NC(=O)c2ccc3nc(NC(=O)OC(C)(C)C)oc3c2)c(C)c1

BDBM50129322

Cc1cc(C)c(NC(=O)c2ccc3nc(NC(=O)OC(C)(C)C)sc3c2)c(Br)c1

BDBM50129350

Cc1cc(C)c(NC(=O)c2ccc3nc(NC(=O)OC(C)(C)C)sc3c2)c(Br)c1C

BDBM50129330

Cc1cc(C)c(NC(=O)c2ccc3nc(NC(=O)OC(C)(C)C)sc3c2)c(C)c1

BDBM50129331

Cc1cc(C)c(NC(=O)c2ccc3nc(NC(=O)OC(C)(C)C)sc3c2)c(C)c1Br

BDBM50129347

Cc1cc(C)c(NC(=O)c2ccc3nc(NC(=O)OC(C)(C)C)sc3c2Cl)c(C)c1

BDBM50129334

Cc1cc(C)c(NC(=O)c2ccc3nc(NC(=O)OC(C)(C)C)sc3n2)c(C)c1

BDBM50129346

Cc1cc(C)c(NC(=O)c2ccc3nc(NC(=O)c4ccccc4)sc3c2)c(C)c1

BDBM50131115

Cc1cc(C)c(NC(=O)c2ccc3nc(NCC4CC4)sc3c2)c(C)c1

BDBM50131126

Cc1cc(C)c(NC(=O)c2ccc3nc(Nc4cc(C)nc(C)n4)sc3c2)c(C)c1

BDBM50131150

Cc1cc(C)c(NC(=O)c2ccc3nc(Nc4cccc(C)n4)sc3c2)c(C)c1

BDBM50131162

Cc1cc(C)c(NC(=O)c2ccc3nc(Nc4ccccc4)sc3c2)c(C)c1

BDBM50131136

Cc1cc(C)c(NC(=O)c2ccc3nc(Nc4ccccn4)sc3c2)c(C)c1

BDBM50131151

Cc1cc(C)c(NC(=O)c2ccc3nc(Nc4cccnc4)sc3c2)c(C)c1

BDBM50131118

Cc1cc(C)c(NC(=O)c2ccc3nc(Nc4ccncc4)sc3c2)c(C)c1

BDBM50131161

Cc1cc(C)c(NC(=O)c2ccc3nc(Nc4ccncn4)sc3c2)c(C)c1

BDBM50131167

Cc1cc(C)c(NC(=O)c2ccc3nc(Nc4cnc[nH]4)sc3c2)c(C)c1

BDBM50131154

Cc1cc(C)c(NC(=O)c2ccc3nc(Nc4cnccn4)sc3c2)c(C)c1

BDBM50131149

Cc1cc(C)c(NC(=O)c2ccc3nc(Nc4ncc[nH]4)sc3c2)c(C)c1

BDBM50131169

Cc1cc(C)c(NC(=O)c2ccc3nc(Nc4ncccc4C)sc3c2)c(C)c1

BDBM50131147

Cc1cc(C)c(NC(=O)c2ccc3nc(Nc4ncccn4)sc3c2)c(C)c1

BDBM50131143

Cc1cc(C)c(NC(=O)c2ccc3nc(Nc4nccnn4)sc3c2)c(C)c1

BDBM50131124

Cc1cc(C)c(NC(=O)c2ccc3nc(Nc4nccs4)sc3c2)c(C)c1

BDBM50131148

Cc1cc(C)c(NC(=O)c2ccc3nc(Nc4nnc[nH]4)sc3c2)c(C)c1

BDBM50129324

Cc1cc(C)c(NC(=O)c2ccc3sc(NC(=O)OC(C)(C)C)nc3c2)c(C)c1

BDBM50129305

Cc1cc(C)c(NC(=O)c2cccc3nc(NC(=O)OC(C)(C)C)sc23)c(C)c1

BDBM50129320

Cc1cc(C)c(NC(=O)c2cccc3sc(NC(=O)OC(C)(C)C)nc23)c(C)c1

BDBM50135404

Cc1cc(C)c(NC(=O)c2cnc(NC(=O)C3CC3)s2)c(C)c1

BDBM50135403

Cc1cc(C)c(NC(=O)c2cnc(NC(=O)OC(C)(C)C)s2)c(C)c1

BDBM13270

Cc1cc(C)c(NC(=O)c2cnc(Nc3cc(C)nc(C)n3)s2)c(C)c1

BDBM13260

Cc1cc(C)c(NC(=O)c2cnc(Nc3ccccn3)s2)c(C)c1

BDBM13264

Cc1cc(C)c(NC(=O)c2cnc(Nc3cnccn3)s2)c(C)c1

BDBM50135397

Cc1cc(C)c(NC(=O)c2sc(NC(=O)OC(C)(C)C)nc2-c2ccccc2)c(C)c1

BDBM50135407

Cc1cc(C)c(NC(=O)c2sc(NC(=O)OC(C)(C)C)nc2C(F)(F)F)c(C)c1

BDBM50263347

Cc1cc(C)c(Nc2nc3ccccc3n2-c2cc(N)ncn2)c(Br)c1

BDBM50263349

Cc1cc(C)c(Nc2nc3ccccc3n2-c2cc(N)ncn2)c(C)c1

BDBM50112921

Cc1cc(C)c(Nc2nc3ccccc3n3cncc23)c(C)c1

BDBM50112935

Cc1cc(C)c(Nc2nc3ccccc3n3cncc23)c(Cl)c1

BDBM81374

Cc1cc(C)n2B(F)[N+]3=C(CCC(=O)NCCCCC(=O)NCCOc4ccc(Nc5ncnc(n5)-c5cccnc5Nc5cc(NC(=O)c6cccc(c6)C(F)(F)F)ccc5C)cc4)C=CC3=Cc12 |c:8,70,73|

BDBM50080267

Cc1cc(C)nc(NC(=O)c2cc(C(O)=O)c(cc2C(O)=O)C(=O)Nc2cc(C)cc(C)n2)c1

BDBM50131135

Cc1cc(C)nc(Nc2nc3ccc(cc3s2)C(=O)Nc2c(C)cccc2Cl)c1

BDBM13267

Cc1cc(C)nc(Nc2ncc(s2)C(=O)Nc2c(C)cccc2Cl)c1

BDBM13269

Cc1cc(C)nc(Nc2ncc(s2)C(=O)Nc2c(C)cccc2Cl)n1

BDBM535778

Cc1cc(CC(=O)c2cn(c3ncnc(N)c23)C(C)(C)c2cccs2)n[nH]1

BDBM50129362

Cc1cc(CO)cc(C)c1NC(=O)c1ccc2nc(NC(=O)OC(C)(C)C)sc2c1

BDBM50194700

Cc1cc(F)c(cc1-c1ccc2nc(N)ncc2c1)C(=O)Nc1cccc(c1)C(F)(F)F

BDBM370382

Cc1cc(NC(=O)c2c(C#CC(C)(C)O)n(c3ncnc(N)c23)C2(C)CC2)[nH]n1

BDBM370388

Cc1cc(NC(=O)c2c(C#CC3(O)CCCC3)n(c3ncnc(N)c23)C2(C)CC2)[nH]n1

BDBM370403

Cc1cc(NC(=O)c2c(C#CC3CCOCC3)n(c3ncnc(N)c23)C2(C)CC2)[nH]n1

BDBM370400

Cc1cc(NC(=O)c2c(C#CCC3(O)CCC3)n(c3ncnc(N)c23)C2(C)CC2)[nH]n1

BDBM370397

Cc1cc(NC(=O)c2c(C#CCN3CCOCC3)n(c3ncnc(N)c23)C2(C)CC2)[nH]n1

BDBM370385

Cc1cc(NC(=O)c2c(C#Cc3cccnc3)n(c3ncnc(N)c23)C2(C)CC2)[nH]n1

BDBM370394

Cc1cc(NC(=O)c2c(C#Cc3cncn3C)n(c3ncnc(N)c23)C2(C)CC2)[nH]n1

BDBM370391

Cc1cc(NC(=O)c2c(C#Cc3cnn(C)c3)n(c3ncnc(N)c23)C2(C)CC2)[nH]n1

BDBM50311907

Cc1cc(NC(=O)c2ccc(C)c(Nc3nc4ccccc4n3-c3cc(N)ncn3)c2)ccn1

BDBM370357

Cc1cc(NC(=O)c2cn(C3CC4CCC3C4)c3ncnc(N)c23)n[nH]1

BDBM370368

Cc1cc(NC(=O)c2cn(C3CCC(C)(C)CC3)c3ncnc(N)c23)n[nH]1

BDBM370399

Cc1cc(NC(=O)c2cn(C3CCC(F)(F)C3)c3ncnc(N)c23)n[nH]1

BDBM370360

Cc1cc(NC(=O)c2cn(C3CCCC3)c3ncnc(N)c23)n[nH]1

BDBM464415

Cc1cc(NC(=O)c2cn(c3ncnc(N)c23)C(C)(C)C)n[nH]1

BDBM464419

Cc1cc(NC(=O)c2cn(c3ncnc(N)c23)C(C)(C)C2CC2)n[nH]1

BDBM370377

Cc1cc(NC(=O)c2cn(c3ncnc(N)c23)C(C)(C)CF)n[nH]1

BDBM464418

Cc1cc(NC(=O)c2cn(c3ncnc(N)c23)C2(C)CC2)n[nH]1

BDBM370348

Cc1cc(NC(=O)c2cn(c3ncnc(N)c23)C2(C)CCC2)n[nH]1

BDBM370366

Cc1cc(NC(=O)c2cn(c3ncnc(N)c23)C2(CC2)C2CC2)n[nH]1

BDBM370402

Cc1cc(NC(=O)c2cn(c3ncnc(N)c23)C23CC(C2)C3)n[nH]1

BDBM370410

Cc1cc(NC(=O)c2nn(C(=C)CF)c3ncnc(N)c23)n[nH]1

BDBM370401

Cc1cc(NC(=O)c2nn(C3CC4CCC3C4)c3ncnc(N)c23)n[nH]1 |TLB:9:10:13.14:16|

BDBM50503099

Cc1cc(NC(=O)c2nn(C3CCN(CC3)C(=O)CC(C)(C)C#N)c3ccccc23)ccc1NC(=O)c1cnn2ccccc12

BDBM50503095

Cc1cc(NC(=O)c2nn(C3CCN(CC3)C(=O)NC(C)(C)C)c3ccccc23)ccc1NC(=O)c1cnn2ccccc12

BDBM370373

Cc1cc(NC(=O)c2nn(CC3CCC3)c3ncnc(N)c23)n[nH]1

BDBM50329199

Cc1cc(Nc2nc(C)cn3c(cnc23)-c2cn[nH]c2)sn1

BDBM13356

Cc1cc(Nc2nc3ccc(cc3s2)C(=O)Nc2c(C)cccc2Cl)nc(C)n1

BDBM50131134

Cc1cc(Nc2nc3ccc(cc3s2)C(=O)Nc2c(C)cccc2Cl)nc(CN2CCOCC2)n1

BDBM50131152

Cc1cc(Nc2nc3ccc(cc3s2)C(=O)Nc2c(C)cccc2Cl)nc(NCC(C)(C)O)n1

BDBM50131114

Cc1cc(Nc2nc3ccc(cc3s2)C(=O)Nc2c(C)cccc2Cl)nc(NCC2CCCO2)n1

BDBM50131117

Cc1cc(Nc2nc3ccc(cc3s2)C(=O)Nc2c(C)cccc2Cl)nc(NCCO)n1

BDBM50131139

Cc1cc(Nc2nc3ccc(cc3s2)C(=O)Nc2c(C)cccc2Cl)ncn1

BDBM13268

Cc1cc(Nc2ncc(s2)C(=O)Nc2c(C)cccc2Cl)nc(C)n1

BDBM6572

Cc1cc(Nc2ncc3cc(-c4c(Cl)cccc4Cl)c(=O)n(C)c3n2)ccc1F |(-2.83,-3.52,;-4.17,-2.76,;-4.17,-1.22,;-5.51,-.46,;-5.51,1.08,;-4.18,1.86,;-4.18,3.4,;-2.84,4.17,;-1.51,3.4,;-.18,4.17,;1.16,3.4,;2.49,4.17,;2.49,5.71,;1.16,6.48,;3.83,6.48,;5.16,5.71,;5.16,4.17,;3.83,3.39,;3.83,1.85,;1.16,1.86,;2.49,1.09,;-.18,1.09,;-.18,-.45,;-1.51,1.86,;-2.84,1.09,;-6.84,-1.23,;-6.83,-2.77,;-5.5,-3.54,;-5.49,-5.08,)|

BDBM11318

Cc1cc(O)c2C(=O)c3c(O)cc(O)cc3C(=O)c2c1

BDBM50025604

Cc1cc(O)c2C(=O)c3c(O)cc(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cc3C(=O)c2c1 |r|

BDBM467718

Cc1cc(Oc2ccccc2)ccc1-n1c2ccnc3sc(C(=O)N[C@@H]4CCN(C4)C(=O)C=C)c([nH]c1=O)c23 |r,wD:25.26,(-1,4.5,;-2.28,3.77,;-3.62,4.54,;-4.95,3.77,;-6.28,4.54,;-7.62,3.77,;-8.95,4.54,;-10.28,3.77,;-10.28,2.23,;-8.95,1.46,;-7.62,2.23,;-4.95,2.23,;-3.62,1.46,;-2.28,2.23,;-.95,1.46,;-.95,-.08,;-2.28,-.85,;-2.28,-2.39,;-.95,-3.16,;.39,-2.39,;1.85,-2.87,;2.76,-1.62,;4.29,-1.65,;5.09,-.33,;5.04,-3,;6.58,-3,;7.49,-1.75,;8.95,-2.23,;8.95,-3.77,;7.49,-4.24,;10.28,-4.54,;10.28,-6.08,;11.62,-3.77,;11.62,-2.23,;1.72,-.08,;1.72,1.46,;.39,2.23,;.39,3.77,;.39,-.85,)|

BDBM50129310

Cc1cc(cc(C)c1NC(=O)c1ccc2nc(NC(=O)OC(C)(C)C)sc2c1)-c1ccccc1

BDBM50525707

Cc1cc(cc(n1)C#Cc1ccc2c3c(oc2c1)C(C)(C)c1cc(NS(C)(=O)=O)ccc1C3=O)C(=O)NC(C)(C)C

BDBM27879

Cc1cc(cc2[nH]c(nc12)-c1c(NC[C@@H](O)c2cccc(Cl)c2)cc[nH]c1=O)N1CCOCC1 |r|

BDBM50296350

Cc1cc(cc2[nH]c(nc12)-c1c(NC[C@@H](O)c2ccccc2Cl)cc[nH]c1=O)N1CCN(CCC#N)CC1 |r|

BDBM50198782

Cc1cc(cc2nnc(Nc3ccc(OCCN4CCCC4)cc3)nc12)-c1c(Cl)cccc1Cl

BDBM50376901

Cc1cc(cc2nnc(Nc3ccc(OCC[N+]4([O-])CCCC4)cc3)nc12)-c1c(Cl)cccc1Cl

BDBM340068

Cc1cc(ccc1-c1nc([C@@H]2CCCCN2C(=O)C=C)n2ccnc(N)c12)C(=O)Nc1ccccn1 |r|

BDBM340091

Cc1cc(ccc1-c1nc([C@@H]2CCCCN2C(=O)c2ccnc(Cl)n2)n2ccnc(N)c12)C(=O)Nc1ccccn1 |r|

BDBM340164

Cc1cc(ccc1-c1nc([C@@H]2CCCCN2S(=O)(=O)C=C)n2ccnc(N)c12)C(=O)Nc1ccccn1 |r|

BDBM50260943

Cc1cc(ccc1F)-n1ccc(C)c(-c2ccc3nc(N)ncc3c2)c1=O

BDBM309621

Cc1cc(no1)C(=O)N[C@@H]1CCCN(C1)c1nnc(C(N)=O)c(Nc2ccc(cc2)C(=O)N2CCOCC2)n1 |r|

BDBM50097393

Cc1cc2cn[nH]c2cc1-c1cccc2c(N)c(nnc12)C(N)=O

BDBM21079

Cc1ccc(F)c(NC(=O)Nc2ccc(cc2)-c2cccc3[nH]nc(N)c23)c1

BDBM50195335

Cc1ccc(F)cc1Nc1ccnc(n1)-n1cnc2ccccc12

BDBM50195354

Cc1ccc(N)cc1Nc1nccc(n1)-c1noc2ccccc12

BDBM50149286

Cc1ccc(NC(=O)CN2C(=O)S\C(=C/c3ccc(o3)-c3cc(ccc3C)C(O)=O)C2=O)cc1

BDBM50375685

Cc1ccc(NC(=O)N2CCOc3cc(Oc4ncnc5[nH]ccc45)ccc23)cc1

BDBM26370

Cc1ccc(NC(=O)Nc2cccc(c2)C(F)(F)F)cc1-c1ccc2nc(N)ncc2c1

BDBM26371

Cc1ccc(NC(=O)Nc2cccc(c2)C(F)(F)F)cc1C(=O)Nc1cnc(N)nc1

BDBM50386749

Cc1ccc(NC(=O)Nc2nnc(Sc3ncnc4cc(OCCCN5CCOCC5)ccc34)s2)cc1

BDBM50311918

Cc1ccc(NC(=O)c2cc(Cl)cc(Cl)c2)cc1Nc1nc2ccccc2n1-c1cc(N)ncn1

BDBM50311922

Cc1ccc(NC(=O)c2cc(n[nH]2)C2CC2)cc1Nc1nc2ccccc2n1-c1cc(N)ncn1

BDBM50311923

Cc1ccc(NC(=O)c2cc(nn2C)C(C)(C)C)cc1Nc1nc2ccccc2n1-c1cc(N)ncn1

BDBM378885

Cc1ccc(NC(=O)c2ccc(C)c(c2)C(F)(F)F)cc1C#Cc1nn([C@H]2CC[C@H](O)CC2)c2ncnc(N)c12 |r,wU:26.27,wD:29.31,(-5.46,5.4,;-3.98,5.8,;-3.58,7.29,;-2.09,7.69,;-1,6.6,;.49,7,;1.57,5.91,;1.18,4.42,;3.06,6.31,;3.46,7.79,;4.95,8.19,;6.04,7.1,;7.53,7.5,;5.64,5.62,;4.15,5.22,;6.73,4.53,;8.22,4.93,;6.33,3.04,;7.82,3.44,;-1.4,5.11,;-2.89,4.71,;-3.29,3.22,;-3.68,1.74,;-4.08,.25,;-3.18,-1,;-4.08,-2.24,;-3.68,-3.73,;-2.2,-4.13,;-1.8,-5.62,;-2.89,-6.7,;-2.49,-8.19,;-4.38,-6.31,;-4.77,-4.82,;-5.55,-1.77,;-6.88,-2.54,;-8.22,-1.77,;-8.22,-.23,;-6.88,.54,;-6.88,2.08,;-5.55,-.23,)|

BDBM50311921

Cc1ccc(NC(=O)c2ccc(s2)C(C)(C)C)cc1Nc1nc2ccccc2n1-c1cc(N)ncn1

BDBM50311916

Cc1ccc(NC(=O)c2cccc(Cl)c2)cc1Nc1nc2ccccc2n1-c1cc(N)ncn1

BDBM26367

Cc1ccc(NC(=O)c2cccc(c2)C(F)(F)F)cc1-c1ccc2nc(N)ncc2c1

BDBM93207

Cc1ccc(NC(=O)c2cccc(c2)C(F)(F)F)cc1-c1ccc2nc(Nc3ccc(OCCN)cc3)ncc2c1

BDBM26368

Cc1ccc(NC(=O)c2cccc(c2)C(F)(F)F)cc1C(=O)Nc1cnc(N)nc1

BDBM26374

Cc1ccc(NC(=O)c2cccc(c2)C(F)(F)F)cc1C(=O)Nc1cnc(NCCCN2CCOCC2)nc1

BDBM26375

Cc1ccc(NC(=O)c2cccc(c2)C(F)(F)F)cc1C(=O)Nc1cnc(NCCN2CCOCC2)nc1

BDBM50020446

Cc1ccc(NC(=O)c2cccc(c2)C(F)(F)F)cc1C(=O)Nc1cnc(Nc2ccc(N)cc2)nc1

BDBM50020445

Cc1ccc(NC(=O)c2cccc(c2)C(F)(F)F)cc1C(=O)Nc1cnc(Nc2cccc(F)c2)nc1

BDBM50020447

Cc1ccc(NC(=O)c2cccc(c2)C(F)(F)F)cc1C(=O)Nc1cnc(Nc2cccc(N)c2)nc1

BDBM50020443

Cc1ccc(NC(=O)c2cccc(c2)C(F)(F)F)cc1C(=O)Nc1cnc(Nc2cccc(c2)C(F)(F)F)nc1

BDBM50020442

Cc1ccc(NC(=O)c2cccc(c2)C(F)(F)F)cc1C(=O)Nc1cnc(Nc2ccccc2)nc1

BDBM26373

Cc1ccc(NC(=O)c2cccc(c2)C(F)(F)F)cc1C(=O)Nc1cncnc1

BDBM50311928

Cc1ccc(NC(=O)c2cccc(c2)C(F)(F)F)cc1Nc1nc2ccccc2n1-c1cc(Cl)ncn1

BDBM50311917

Cc1ccc(NC(=O)c2cccc(c2)C(F)(F)F)cc1Nc1nc2ccccc2n1-c1cc(N)ncn1

BDBM50311934

Cc1ccc(NC(=O)c2cccc(c2)C(F)(F)F)cc1Nc1nc2ccccc2n1-c1cc(NCCC2CCCN2)ncn1

BDBM50311933

Cc1ccc(NC(=O)c2cccc(c2)C(F)(F)F)cc1Nc1nc2ccccc2n1-c1cc(NCCCC2COCCN2)ncn1

BDBM50311944

Cc1ccc(NC(=O)c2cccc(c2)C(F)(F)F)cc1Nc1nc2ccccc2n1-c1cc(NCCCCN)ncn1

BDBM50311943

Cc1ccc(NC(=O)c2cccc(c2)C(F)(F)F)cc1Nc1nc2ccccc2n1-c1cc(NCCCN)ncn1

BDBM50311942

Cc1ccc(NC(=O)c2cccc(c2)C(F)(F)F)cc1Nc1nc2ccccc2n1-c1cc(NCCN)ncn1

BDBM50311894

Cc1ccc(NC(=O)c2cccc(c2)C(F)(F)F)cc1Nc1nc2ccccc2n1-c1cc(NCCO)ncn1

BDBM50311937

Cc1ccc(NC(=O)c2cccc(c2)C(F)(F)F)cc1Nc1nc2ccccc2n1-c1cc(NCCc2ccccn2)ncn1

BDBM50311935

Cc1ccc(NC(=O)c2cccc(c2)C(F)(F)F)cc1Nc1nc2ccccc2n1-c1cc(N[C@H]2CC[C@H](N)CC2)ncn1 |r,wU:34.37,wD:37.41,(1.36,6.17,;2.68,5.37,;4.02,6.11,;5.35,5.31,;5.31,3.77,;6.62,2.97,;7.98,3.7,;8.01,5.24,;9.29,2.9,;10.64,3.64,;11.95,2.84,;11.92,1.29,;10.56,.55,;9.25,1.36,;10.52,-.99,;9.17,-1.72,;11.83,-1.79,;10.51,-2.52,;3.96,3.03,;2.65,3.84,;1.3,3.1,;1.26,1.56,;2.49,.63,;1.98,-.83,;2.71,-2.16,;1.92,-3.47,;.38,-3.44,;-.36,-2.1,;.44,-.79,;-.01,.69,;-1.35,1.45,;-2.68,.67,;-4.02,1.44,;-5.35,.66,;-6.69,1.42,;-8.01,.65,;-9.35,1.42,;-9.36,2.96,;-10.69,3.73,;-8.02,3.73,;-6.69,2.97,;-4.03,2.99,;-2.7,3.77,;-1.35,3,)|

BDBM50311938

Cc1ccc(NC(=O)c2cccc(c2)C(F)(F)F)cc1Nc1nc2ccccc2n1-c1cc(ncn1)N1CCOCC1

BDBM81376

Cc1ccc(NC(=O)c2cccc(c2)C(F)(F)F)cc1Nc1ncccc1-c1cc(Nc2ccc(OCCNC(=O)COCCOCCOCCOCCN)cc2)ncn1

BDBM81375

Cc1ccc(NC(=O)c2cccc(c2)C(F)(F)F)cc1Nc1ncccc1-c1ncnc(Nc2ccc(OCCNC(=O)COCCOCCOCCOCCN)cc2)n1

BDBM50264756

Cc1ccc(NC(=O)c2ccnc(c2)N2CCCC2)cc1-c1ccc2c(noc2c1)C1CCNCC1

BDBM50263167

Cc1ccc(NC(=O)c2ccnc(c2)N2CCCCC2)cc1-c1ccc(cc1)C(=O)NCC1CC1

BDBM50311940

Cc1ccc(NC(=O)c2ccncc2C(C)(C)C)cc1Nc1nc2ccccc2n1-c1cc(N)ncn1

BDBM50311941

Cc1ccc(NC(=O)c2ccncc2Cl)cc1Nc1nc2ccccc2n1-c1cc(N)ncn1

BDBM50419247

Cc1ccc(Nc2nc(N[C@@H]3CCOC[C@@H]3N)ncc2C(N)=O)cc1 |r|

BDBM50131153

Cc1ccc(Nc2nc3ccc(cc3s2)C(=O)Nc2c(C)cc(C)cc2C)nc1

BDBM50131116

Cc1ccc(Nc2nc3ccc(cc3s2)C(=O)Nc2c(C)cccc2Cl)nc1

BDBM50112933

Cc1ccc(Nc2nc3ccccc3n3cncc23)c(Cl)c1

BDBM50393034

Cc1ccc(O)cc1-n1c2ncnc(N)c2c2CCCCc2c1=O |(21.85,-7.48,;23.19,-8.25,;24.52,-7.48,;25.87,-8.25,;25.86,-9.8,;27.2,-10.57,;24.52,-10.56,;23.19,-9.78,;21.86,-10.55,;20.52,-9.78,;20.52,-8.25,;19.2,-7.49,;17.87,-8.26,;17.88,-9.78,;16.54,-10.55,;19.19,-10.54,;19.18,-12.07,;17.85,-12.85,;17.85,-14.39,;19.18,-15.15,;20.52,-14.39,;20.51,-12.85,;21.85,-12.09,;23.18,-12.87,)|

BDBM50195330

Cc1ccc(O)cc1Nc1cc(CCCC2CCNCC2)nc(n1)-n1cnc2ccccc12

BDBM50195356

Cc1ccc(O)cc1Nc1cc(Cl)nc(n1)-n1cnc2ccccc12

BDBM50195332

Cc1ccc(O)cc1Nc1cc(N)nc(n1)-n1cnc2ccccc12

BDBM50195328

Cc1ccc(O)cc1Nc1cc(NCCCN2CCNCC2)nc(n1)-n1cnc2ccccc12

BDBM50195338

Cc1ccc(O)cc1Nc1cc(NCCN2CCOCC2)nc(n1)-n1cnc2ccccc12

BDBM50195349

Cc1ccc(O)cc1Nc1cc(NN2CCOCC2)nc(n1)-n1cnc2ccccc12

BDBM50195351

Cc1ccc(O)cc1Nc1cc(OCCN2CCOCC2)nc(n1)-n1cnc2ccccc12

BDBM50195357

Cc1ccc(O)cc1Nc1cc(nc(n1)-n1cnc2ccccc12)N1CCOCC1

BDBM50195336

Cc1ccc(O)cc1Nc1cc(ncn1)-n1cnc2ccccc12

BDBM50195329

Cc1ccc(O)cc1Nc1ccnc(n1)-n1cnc2ccccc12

BDBM50195340

Cc1ccc(O)cc1Nc1nccc(n1)-c1noc2ccccc12

BDBM50195348

Cc1ccc(O)cc1Nc1nccc(n1)-n1cnc2ccccc12

BDBM50334629

Cc1ccc(cc1)-c1cn(nn1)C1CCCCC1=O

BDBM25116

Cc1ccc(cc1)-c1nn(c2ncnc(N)c12)C(C)(C)C

BDBM13533

Cc1ccc(cc1)-n1nc(cc1NC(=O)Nc1ccc(OCCN2CCOCC2)c2ccccc12)C(C)(C)C

BDBM50314780

Cc1ccc(cc1-c1cc2cnn(-c3ccc(F)cc3F)c2n(C)c1=O)C(=O)NC1CC1

BDBM50314790

Cc1ccc(cc1-c1cc2cnn(-c3ccccc3F)c2n(C)c1=O)C(=O)NC1CC1

BDBM50263093

Cc1ccc(cc1-c1ccc(cc1)C(=O)NCC1CC1)C(=O)NC1CC1

BDBM50252740

Cc1ccc(cc1-c1ccc2c(NCCN3CCOCC3)nncc2c1)C(=O)NC1CC1

BDBM50265154

Cc1ccc(cc1-c1ccc2c(c1)nnn(CC1CC1)c2=O)C(=O)NC1CC1

BDBM50253153

Cc1ccc(cc1-c1ccc2c(nncc2c1)-c1ccccc1)C(=O)NC1CC1

BDBM50314789

Cc1ccc(cc1-c1ccc2c(nncc2c1)-c1ccccc1F)C(=O)NC1CC1

BDBM50252778

Cc1ccc(cc1-c1ccc2c(nncc2c1)N1CCOCC1)C(=O)NC1CC1

BDBM50265371

Cc1ccc(cc1-c1ccc2c(noc2c1)C1CCNCC1)C(=O)NC1CC1

BDBM50264755

Cc1ccc(cc1-c1ccc2c(noc2c1)C1CCNCC1)C(=O)Nc1cccc(c1)N1CCOCC1

BDBM50265259

Cc1ccc(cc1-c1ccc2ccncc2c1)C(=O)NC1CC1

BDBM14949

Cc1ccc(cc1-c1ccc2nc(N)ncc2c1)C(=O)Nc1cccc(c1)C(F)(F)F

BDBM50194679

Cc1ccc(cc1-c1ccc2nc(N)ncc2c1)C(=O)Nc1cccc(c1C)C(F)(F)F

BDBM50194688

Cc1ccc(cc1-c1ccc2nc(NC3CC3)ncc2c1)C(=O)Nc1cccc(c1C)C(F)(F)F

BDBM50194678

Cc1ccc(cc1-c1ccc2nc(NCCCN3CCOCC3)ncc2c1)C(=O)Nc1cccc(c1C)C(F)(F)F

BDBM50194673

Cc1ccc(cc1-c1ccc2nc(NCCN3CCCC3)ncc2c1)C(=O)Nc1cccc(c1C)C(F)(F)F

BDBM50194698

Cc1ccc(cc1-c1ccc2nc(NCCN3CCCCC3)ncc2c1)C(=O)Nc1cccc(c1C)C(F)(F)F

BDBM50252739

Cc1ccc(cc1-c1ccc2nc(NCCN3CCOCC3)ncc2c1)C(=O)NC1CC1

BDBM50194668

Cc1ccc(cc1-c1ccc2nc(NCCN3CCOCC3)ncc2c1)C(=O)Nc1cccc(c1)C(F)(F)F

BDBM50194695

Cc1ccc(cc1-c1ccc2nc(NCCN3CCOCC3)ncc2c1)C(=O)Nc1cccc(c1C)C(F)(F)F

BDBM50194672

Cc1ccc(cc1-c1ccc2nc(Nc3ccccc3)ncc2c1)C(=O)Nc1cccc(c1C)C(F)(F)F

BDBM50577406

Cc1ccc(cc1C#Cc1cc(cnc1N)-c1cnn(C)c1)C(=O)Nc1cc(cc(c1)C(F)(F)F)C(F)(F)F

BDBM50506460

Cc1ccc(cc1C#Cc1cc(cnc1N)-c1cnn(C)c1)C(=O)Nc1ccc(Cl)cc1Cl

BDBM50538438

Cc1ccc(cc1C#Cc1cnc2cccnn12)C(=O)Nc1ccc(CN2CCC3C=NNC3C2)c(Cl)c1 |c:33|

BDBM50538442

Cc1ccc(cc1C#Cc1cnc2cccnn12)C(=O)Nc1ccc(CN2Cc3cn[nH]c3C2)c(Cl)c1

BDBM50243182

Cc1ccc(cc1C(=O)Nc1ccc(N)nc1)C(=O)NCCC1CCCC1

BDBM26365

Cc1ccc(cc1C(=O)Nc1cnc(N)nc1)C(=O)Nc1cccc(c1)C(F)(F)F

BDBM50242924

Cc1ccc(cc1C(=O)Nc1cncnc1)C(=O)Nc1cccc(c1)C(F)(F)F

BDBM50260942

Cc1ccc(cc1F)-n1ccc(C)c(-c2ccc3nc(N)ncc3c2)c1=O

BDBM50507707

Cc1ccc(cc1NC(=O)C1(CC1)c1ncnc2[nH]cnc12)C(=O)Nc1ccc(Cl)c(c1)C(F)(F)F

BDBM50372707

Cc1ccc(cc1NC(=O)c1cnc(NCCN2CCOCC2)nc1Oc1ccccc1)C(=O)Nc1cccc(c1)C(F)(F)F

BDBM50243074

Cc1ccc(cc1NC(=O)c1cncnc1)C(=O)Nc1cccc(c1)C(F)(F)F

BDBM50331629

Cc1ccc(cc1NC(=O)c1cnn(c1N)-c1ccccc1F)C(=O)Nc1ccon1

BDBM50311900

Cc1ccc(cc1Nc1nc2ccccc2n1-c1cc(N)ncn1)C(=O)Nc1cccc(Br)c1

BDBM50311902

Cc1ccc(cc1Nc1nc2ccccc2n1-c1cc(N)ncn1)C(=O)Nc1cccc(Cl)c1

BDBM50311899

Cc1ccc(cc1Nc1nc2ccccc2n1-c1cc(N)ncn1)C(=O)Nc1cccc(OC(F)F)c1

BDBM50311898

Cc1ccc(cc1Nc1nc2ccccc2n1-c1cc(N)ncn1)C(=O)Nc1cccc(c1)C(C)(C)C

BDBM50311901

Cc1ccc(cc1Nc1nc2ccccc2n1-c1cc(N)ncn1)C(=O)Nc1cccc(c1)C(F)(F)F

BDBM50311906

Cc1ccc(cc1Nc1nc2ccccc2n1-c1cc(N)ncn1)C(=O)Nc1cccc(c1)C(N)=O

BDBM50311905

Cc1ccc(cc1Nc1nc2ccccc2n1-c1cc(N)ncn1)C(=O)Nc1cccc2cnccc12

BDBM50311904

Cc1ccc(cc1Nc1nc2ccccc2n1-c1cc(N)ncn1)C(=O)Nc1ccccc1

BDBM50311913

Cc1ccc(cc1Nc1nc2ccccc2n1-c1cc(NCCC#N)ncn1)C(=O)Nc1cccc(c1)C(F)(F)F

BDBM50311914

Cc1ccc(cc1Nc1nc2ccccc2n1-c1ncnc(N)c1C)C(=O)Nc1cccc(c1)C(F)(F)F |(22.57,6.55,;23.89,5.76,;25.23,6.5,;26.56,5.69,;26.52,4.15,;25.17,3.42,;23.86,4.22,;22.51,3.48,;22.47,1.95,;23.69,1.01,;23.19,-.44,;23.92,-1.78,;23.13,-3.09,;21.59,-3.06,;20.85,-1.71,;21.65,-.4,;21.2,1.07,;19.86,1.84,;19.86,3.38,;18.51,4.16,;17.18,3.37,;17.19,1.82,;15.86,1.05,;18.53,1.06,;18.53,-.48,;27.83,3.35,;27.8,1.81,;29.19,4.09,;30.5,3.29,;31.84,4.02,;33.16,3.23,;33.12,1.68,;31.77,.94,;30.46,1.74,;31.73,-.6,;30.38,-1.34,;33.05,-1.4,;31.72,-2.13,)|

BDBM50195347

Cc1ccc(cc1Nc1nccc(n1)-n1cnc2ccccc12)C(N)=O

BDBM14971

Cc1ccc(cc1Nc1ncccc1-c1ccncn1)C(=O)Nc1cccc(c1)C(F)(F)F

BDBM50376226

Cc1ccc(cc1Nc1ncnc2n(ncc12)-c1ccccc1)C(=O)Nc1ccon1

BDBM50299081

Cc1ccc(o1)-c1ccc2occ(-c3ccc(cc3)[S@](C)=O)c2c1 |r|

BDBM309617

Cc1ccc(s1)C(=O)N[C@@H]1CCCN(C1)c1nnc(C(N)=O)c(Nc2ccc(cc2)C(=O)N2CCOCC2)n1 |r|

BDBM50375650

Cc1ccc2C(=O)c3c(O)cc(O)cc3C(=O)c2c1

BDBM50297455

Cc1ccc2C(N=O)C(=O)N(Cc3cc(F)cc4COCOc34)c2c1

BDBM35319

Cc1ccc2c(Nc3ccc(Cl)cc3)nccc2c1Nc1ncccc1-c1ccncn1

BDBM35327

Cc1ccc2c(Nc3ccc(Cl)cc3)nccc2c1Nc1ncccc1-c1ncnc2nc[nH]c12

BDBM35318

Cc1ccc2c(Nc3cccc(c3)C(F)(F)F)nccc2c1Nc1ncccc1-c1ccncn1

BDBM50129352

Cc1cccc(Br)c1NC(=O)c1ccc2nc(NC(=O)OC(C)(C)C)sc2c1

BDBM50193874

Cc1cccc(C)c1-c1cc(C)c2nc(Nc3ccc(OCCN4CCCC4)cc3)nnc2c1

BDBM50112952

Cc1cccc(C)c1-c1nc2ccccc2n2cncc12 |(10.14,-7.28,;11.48,-6.52,;12.82,-7.3,;14.17,-6.53,;14.17,-4.97,;12.84,-4.19,;12.84,-2.66,;11.49,-4.97,;10.16,-4.18,;8.81,-4.95,;7.49,-4.18,;6.16,-4.95,;4.83,-4.18,;4.83,-2.64,;6.16,-1.87,;7.49,-2.64,;8.81,-1.87,;9.14,-.37,;10.67,-.22,;11.31,-1.61,;10.16,-2.64,)|

BDBM50374618

Cc1cccc(C)c1-n1c2nc3ccccc3n2c2nc(Nc3ccc(OCCCN4CCCCC4)cc3)ncc2c1=O |(29.92,5.51,;31.26,4.75,;32.58,5.52,;33.93,4.74,;33.92,3.2,;32.59,2.44,;32.58,.9,;31.26,3.21,;29.93,2.44,;29.92,.9,;31.06,-.14,;30.43,-1.54,;31.05,-2.94,;30.15,-4.18,;28.61,-4.01,;28,-2.61,;28.91,-1.37,;28.59,.13,;27.25,.9,;25.91,.12,;24.58,.89,;23.25,.13,;21.92,.9,;21.93,2.44,;20.6,3.21,;19.26,2.44,;17.93,3.21,;16.59,2.44,;15.26,3.21,;15.26,4.75,;16.59,5.52,;17.93,4.74,;19.26,5.51,;19.27,7.05,;17.93,7.82,;16.59,7.05,;19.26,.89,;20.6,.13,;24.59,2.44,;25.91,3.21,;27.25,2.45,;28.58,3.22,;28.58,4.76,)|

BDBM50129356

Cc1cccc(C)c1NC(=O)c1ccc2nc(NC(=O)C3CC3)sc2c1

BDBM50129360

Cc1cccc(C)c1NC(=O)c1ccc2nc(NC(=O)NC(C)(C)C)sc2c1

BDBM50129351

Cc1cccc(C)c1NC(=O)c1ccc2nc(NC(=O)NC3CC3)sc2c1

BDBM50129335

Cc1cccc(C)c1NC(=O)c1ccc2nc(NC(=O)OC(C)(C)C)sc2c1

BDBM13259

Cc1cccc(C)c1NC(=O)c1cnc(Nc2ccccn2)s1

BDBM13262

Cc1cccc(C)c1NC(=O)c1cnc(Nc2cccnn2)s1

BDBM50145933

Cc1cccc(C)c1Nc1[n+](N)c2ccccc2n2cncc12

BDBM50116410

Cc1cccc(C)c1Nc1nc2ccc3c(C(=O)NC(=O)C3(C)C)c2[nH]1

BDBM50120119

Cc1cccc(C)c1Nc1nc2cccc(N)c2n2cncc12

BDBM50120120

Cc1cccc(C)c1Nc1nc2cccc([N+]([O-])=O)c2n2cncc12

BDBM50112925

Cc1cccc(C)c1Nc1nc2ccccc2n2cncc12

BDBM50198370

Cc1cccc(C)c1Nc1ncc(-c2ccccc2)n2cncc12

BDBM50129316

Cc1cccc(CCO)c1NC(=O)c1ccc2nc(NC(=O)OC(C)(C)C)sc2c1

BDBM50186568

Cc1cccc(Cl)c1NC(=O)N(Cc1ccccc1)c1cc(Nc2ccc(F)cc2)ncn1

BDBM50129366

Cc1cccc(Cl)c1NC(=O)c1ccc2nc(NC(=O)C3(C)CC3)sc2c1

BDBM13355

Cc1cccc(Cl)c1NC(=O)c1ccc2nc(NC(=O)C3CC3)sc2c1

BDBM50129348

Cc1cccc(Cl)c1NC(=O)c1ccc2nc(NC(=O)C3CC3CN3CCCC3)sc2c1

BDBM50129325

Cc1cccc(Cl)c1NC(=O)c1ccc2nc(NC(=O)C3CC3CO)sc2c1

BDBM50129312

Cc1cccc(Cl)c1NC(=O)c1ccc2nc(NC(=O)C3CC3c3ccccc3)sc2c1

BDBM50129314

Cc1cccc(Cl)c1NC(=O)c1ccc2nc(NC(=O)C3CCC3)sc2c1

BDBM50129304

Cc1cccc(Cl)c1NC(=O)c1ccc2nc(NC(=O)C3CCCO3)sc2c1

BDBM50129333

Cc1cccc(Cl)c1NC(=O)c1ccc2nc(NC(=O)CC3CC3)sc2c1

BDBM50129307

Cc1cccc(Cl)c1NC(=O)c1ccc2nc(NC(=O)NC(C)(C)C)sc2c1

BDBM50129311

Cc1cccc(Cl)c1NC(=O)c1ccc2nc(NC(=O)NC3CC(C)(C)NC(C)(C)C3)sc2c1

BDBM50129353

Cc1cccc(Cl)c1NC(=O)c1ccc2nc(NC(=O)NC3CC3)sc2c1

BDBM50129309

Cc1cccc(Cl)c1NC(=O)c1ccc2nc(NC(=O)NC3CCCC3)sc2c1

BDBM50129337

Cc1cccc(Cl)c1NC(=O)c1ccc2nc(NC(=O)NCc3ccc(F)cc3)sc2c1

BDBM50129342

Cc1cccc(Cl)c1NC(=O)c1ccc2nc(NC(=O)NCc3ccco3)sc2c1

BDBM50129302

Cc1cccc(Cl)c1NC(=O)c1ccc2nc(NC(=O)Nc3ccc(F)cc3)sc2c1

BDBM50129354

Cc1cccc(Cl)c1NC(=O)c1ccc2nc(NC(=O)Nc3ccccn3)sc2c1

BDBM50129364

Cc1cccc(Cl)c1NC(=O)c1ccc2nc(NC(=O)Nc3ncccn3)sc2c1

BDBM50129329

Cc1cccc(Cl)c1NC(=O)c1ccc2nc(NC(=O)OC(C)(C)C)sc2c1

BDBM50131130

Cc1cccc(Cl)c1NC(=O)c1ccc2nc(NN3C=CCC=N3)sc2c1 |c:20,23|

BDBM50131170

Cc1cccc(Cl)c1NC(=O)c1ccc2nc(Nc3cc(CN4CCOCC4)ccn3)sc2c1

BDBM50131164

Cc1cccc(Cl)c1NC(=O)c1ccc2nc(Nc3cc(CN4CCOCC4)nc(C)n3)sc2c1

BDBM50131160

Cc1cccc(Cl)c1NC(=O)c1ccc2nc(Nc3cc(Cl)ncn3)sc2c1

BDBM50131128

Cc1cccc(Cl)c1NC(=O)c1ccc2nc(Nc3cc(N)ccn3)sc2c1

BDBM50131132

Cc1cccc(Cl)c1NC(=O)c1ccc2nc(Nc3cc(N)ncn3)sc2c1

BDBM50131145

Cc1cccc(Cl)c1NC(=O)c1ccc2nc(Nc3cc(NCCO)ncn3)sc2c1

BDBM50131119

Cc1cccc(Cl)c1NC(=O)c1ccc2nc(Nc3cccc(CN4CCOCC4)n3)sc2c1

BDBM50131155

Cc1cccc(Cl)c1NC(=O)c1ccc2nc(Nc3cccc(N)n3)sc2c1

BDBM50131141

Cc1cccc(Cl)c1NC(=O)c1ccc2nc(Nc3cccc(NCC(C)(C)N)n3)sc2c1

BDBM13357

Cc1cccc(Cl)c1NC(=O)c1ccc2nc(Nc3cccc(NCCO)n3)sc2c1

BDBM50131140

Cc1cccc(Cl)c1NC(=O)c1ccc2nc(Nc3ccccc3)sc2c1

BDBM50131125

Cc1cccc(Cl)c1NC(=O)c1ccc2nc(Nc3ccccn3)sc2c1

BDBM50131158

Cc1cccc(Cl)c1NC(=O)c1ccc2nc(Nc3ccn[nH]3)sc2c1

BDBM50131163

Cc1cccc(Cl)c1NC(=O)c1ccc2nc(Nc3ccnc(Cl)n3)sc2c1

BDBM50131142

Cc1cccc(Cl)c1NC(=O)c1ccc2nc(Nc3ccnc(NCCO)n3)sc2c1

BDBM50131122

Cc1cccc(Cl)c1NC(=O)c1ccc2nc(Nc3ccncn3)sc2c1

BDBM50131121

Cc1cccc(Cl)c1NC(=O)c1ccc2nc(Nc3cnccn3)sc2c1

BDBM50131138

Cc1cccc(Cl)c1NC(=O)c1ccc2nc(Nc3ncc[nH]3)sc2c1

BDBM13248

Cc1cccc(Cl)c1NC(=O)c1cnc(NC(=O)C2(C)CC2)s1

BDBM13246

Cc1cccc(Cl)c1NC(=O)c1cnc(NC(=O)C2CC2)s1

BDBM13254

Cc1cccc(Cl)c1NC(=O)c1cnc(NC(=O)C2CCC2)s1

BDBM13255

Cc1cccc(Cl)c1NC(=O)c1cnc(NC(=O)C2CCCC2)s1

BDBM13250

Cc1cccc(Cl)c1NC(=O)c1cnc(NC(=O)c2ccccc2)s1

BDBM13253

Cc1cccc(Cl)c1NC(=O)c1cnc(NC(=O)c2ccco2)s1

BDBM13251

Cc1cccc(Cl)c1NC(=O)c1cnc(NC(=O)c2cccs2)s1

BDBM13252

Cc1cccc(Cl)c1NC(=O)c1cnc(NC(=O)c2ccsc2)s1

BDBM50236481

Cc1cccc(Cl)c1NC(=O)c1cnc(NC2CC2)s1

BDBM50236484

Cc1cccc(Cl)c1NC(=O)c1cnc(NC2CCC2)s1

BDBM13277

Cc1cccc(Cl)c1NC(=O)c1cnc(Nc2cc(NCCO)nc(C)n2)s1

BDBM13275

Cc1cccc(Cl)c1NC(=O)c1cnc(Nc2cc(nc(C)n2)N2CCOCC2)s1

BDBM13274

Cc1cccc(Cl)c1NC(=O)c1cnc(Nc2cc(ncn2)N2CCOCC2)s1

BDBM13272

Cc1cccc(Cl)c1NC(=O)c1cnc(Nc2cccc(NCCCN3CCOCC3)n2)s1

BDBM13273

Cc1cccc(Cl)c1NC(=O)c1cnc(Nc2cccc(NCCCn3ccnc3)n2)s1

BDBM13271

Cc1cccc(Cl)c1NC(=O)c1cnc(Nc2cccc(NCCO)n2)s1

BDBM13256

Cc1cccc(Cl)c1NC(=O)c1cnc(Nc2ccccn2)s1

BDBM13257

Cc1cccc(Cl)c1NC(=O)c1cnc(Nc2cccnc2)s1

BDBM13261

Cc1cccc(Cl)c1NC(=O)c1cnc(Nc2cccnn2)s1

BDBM13258

Cc1cccc(Cl)c1NC(=O)c1cnc(Nc2ccncc2)s1

BDBM50145923

Cc1cccc(Cl)c1Nc1nc2c(Br)cccc2n2cncc12

BDBM50145941

Cc1cccc(Cl)c1Nc1nc2c(F)cccc2n2cncc12

BDBM50145897

Cc1cccc(Cl)c1Nc1nc2c(N)cccc2n2cncc12

BDBM50145884

Cc1cccc(Cl)c1Nc1nc2c(O)c(O)ccc2n2cncc12

BDBM50116399

Cc1cccc(Cl)c1Nc1nc2c(ccc3c(C)c(C)[nH]c(=O)c23)[nH]1

BDBM50145911

Cc1cccc(Cl)c1Nc1nc2c(cccc2n2cncc12)C#N

BDBM50145893

Cc1cccc(Cl)c1Nc1nc2c(cccc2n2cncc12)N1CCOCC1

BDBM50120121

Cc1cccc(Cl)c1Nc1nc2cc(Br)ccc2n2cncc12

BDBM50120136

Cc1cccc(Cl)c1Nc1nc2cc(N)ccc2n2cncc12

BDBM50120104

Cc1cccc(Cl)c1Nc1nc2cc(O)c(O)cc2n2cncc12

BDBM50120135

Cc1cccc(Cl)c1Nc1nc2cc(ccc2n2cncc12)C(N)=O

BDBM50120105

Cc1cccc(Cl)c1Nc1nc2cc(ccc2n2cncc12)N1CCNCC1

BDBM50120106

Cc1cccc(Cl)c1Nc1nc2cc(ccc2n2cncc12)N1CCOCC1

BDBM50120114

Cc1cccc(Cl)c1Nc1nc2cc3OCCOc3cc2n2cncc12

BDBM50120113

Cc1cccc(Cl)c1Nc1nc2cc3OCOc3cc2n2cncc12

BDBM50120131

Cc1cccc(Cl)c1Nc1nc2ccc(Br)cc2n2cncc12

BDBM50120092

Cc1cccc(Cl)c1Nc1nc2ccc(F)cc2n2cncc12

BDBM50120117

Cc1cccc(Cl)c1Nc1nc2ccc(N)cc2n2cncc12

BDBM50120128

Cc1cccc(Cl)c1Nc1nc2ccc(NCCCN3CCOCC3)cc2n2cncc12

BDBM50120132

Cc1cccc(Cl)c1Nc1nc2ccc(NCCN3CCOCC3)cc2n2cncc12

BDBM50120096

Cc1cccc(Cl)c1Nc1nc2ccc(cc2n2cncc12)C#N

BDBM50120095

Cc1cccc(Cl)c1Nc1nc2ccc(cc2n2cncc12)N1CCN(CC1)C=O

BDBM50120093

Cc1cccc(Cl)c1Nc1nc2ccc(cc2n2cncc12)N1CCNCC1

BDBM50120111

Cc1cccc(Cl)c1Nc1nc2ccc(cc2n2cncc12)N1CCOCC1

BDBM50116409

Cc1cccc(Cl)c1Nc1nc2ccc3c(C(=O)NC(=O)C3(C)C)c2[nH]1

BDBM50120088

Cc1cccc(Cl)c1Nc1nc2cccc(OCc3ccccc3)c2n2cncc12

BDBM50263376

Cc1cccc(Cl)c1Nc1nc2ccccc2n1-c1cc(Cl)ncn1

BDBM50263348

Cc1cccc(Cl)c1Nc1nc2ccccc2n1-c1cc(N)ncn1

BDBM50263475

Cc1cccc(Cl)c1Nc1nc2ccccc2n1-c1cc(NN2CCOCC2)ncn1

BDBM50263513

Cc1cccc(Cl)c1Nc1nc2ccccc2n1-c1cc(Nc2cc(CN3CCOCC3)ccn2)ncn1

BDBM50263514

Cc1cccc(Cl)c1Nc1nc2ccccc2n1-c1cc(Nc2ccc(CCN3CCOCC3)cn2)ncn1

BDBM50263517

Cc1cccc(Cl)c1Nc1nc2ccccc2n1-c1cc(Nc2ncnc(NCCN3CCOCC3)c2C)ncn1

BDBM50263474

Cc1cccc(Cl)c1Nc1nc2ccccc2n1-c1cc(ncn1)N1CCOCC1

BDBM50263473

Cc1cccc(Cl)c1Nc1nc2ccccc2n1-c1ccncn1

BDBM50112920

Cc1cccc(Cl)c1Nc1nc2ccccc2n2cncc12

BDBM50311896

Cc1cccc(NC(=O)c2ccc(C)c(Nc3nc4ccccc4n3-c3cc(N)ncn3)c2)c1

BDBM50131168

Cc1cccc(Nc2nc3ccc(cc3s2)C(=O)Nc2c(C)cccc2Cl)n1

BDBM13265

Cc1cccc(Nc2ncc(s2)C(=O)Nc2c(C)cccc2Cl)n1

BDBM408588

Cc1cccc(Oc2ccc(cc2)-n2c3cnccc3n([C@@H]3CCN(C3)C(=O)C=C)c2=O)c1

BDBM408591

Cc1cccc(Oc2ccc(cc2Cl)-n2c3cnccc3n([C@@H]3CCN(C3)C(=O)C=C)c2=O)c1

BDBM50311919

Cc1cccc(c1)C(=O)Nc1ccc(C)c(Nc2nc3ccccc3n2-c2cc(N)ncn2)c1

BDBM50194693

Cc1ccccc1-c1ccc2nc(N)ncc2c1

BDBM50253154

Cc1ccccc1-c1nncc2cc(ccc12)-c1cc(ccc1C)C(=O)NC1CC1

BDBM50112940

Cc1ccccc1C(=O)Nc1nc2ccccc2n2cncc12

BDBM50129313

Cc1ccccc1CC(=O)Nc1nc2ccc(cc2s1)C(=O)Nc1c(C)cccc1Cl

BDBM50080268

Cc1ccccc1CP(O)(O)=O

BDBM50374171

Cc1ccccc1NC(=O)c1nc2ccccc2n2cncc12

BDBM50260941

Cc1ccn(-c2ccc(Cl)c(F)c2)c(=O)c1-c1ccc2nc(N)ncc2c1

BDBM50260916

Cc1ccn(-c2ccc(Cl)cc2)c(=O)c1-c1ccc2nc(N)ncc2c1

BDBM50260974

Cc1ccn(-c2ccc(cc2)-c2ncco2)c(=O)c1-c1ccc2nc(N)ncc2c1

BDBM50260973

Cc1ccn(-c2ccc(cc2)-n2cccn2)c(=O)c1-c1ccc2nc(N)ncc2c1

BDBM50260890

Cc1ccn(-c2ccc(cc2)C(C)(C)C)c(=O)c1-c1ccc2nc(N)ncc2c1

BDBM50260914

Cc1ccn(-c2ccc(cc2)C(F)(F)F)c(=O)c1-c1ccc2nc(N)ncc2c1

BDBM50260972

Cc1ccn(-c2ccc(cc2)N2CCOCC2)c(=O)c1-c1ccc2nc(N)ncc2c1

BDBM50260887

Cc1ccn(-c2ccc3c(NCC3(C)C)c2)c(=O)c1-c1ccc2nc(N)ncc2c1

BDBM50260917

Cc1ccn(-c2cccc(c2)C(F)(F)F)c(=O)c1-c1ccc2nc(N)ncc2c1

BDBM50260889

Cc1ccn(-c2ccccc2)c(=O)c1-c1ccc2nc(N)ncc2c1

BDBM50260888

Cc1ccn(CCC2CCCC2)c(=O)c1-c1ccc2nc(N)ncc2c1

BDBM340133

Cc1ccnc(NC(=O)c2ccc(cc2)-c2nc([C@@H]3CCCCN3C(=O)C=C)n3ccnc(N)c23)n1 |r|

BDBM340187

Cc1ccnc(NC(=O)c2ccc(cc2)-c2nc([C@@H]3CCCN3C(=O)C=C)n3ccnc(N)c23)c1 |r|

BDBM340192

Cc1ccnc(NC(=O)c2ccc(cc2)-c2nc([C@@H]3CCCN3C(=O)c3ccnc(Cl)n3)n3ccnc(N)c23)c1 |r|

BDBM50131129

Cc1ccnc(Nc2nc3ccc(cc3s2)C(=O)Nc2c(C)cc(C)cc2C)c1

BDBM50131165

Cc1ccnc(Nc2nc3ccc(cc3s2)C(=O)Nc2c(C)cccc2Cl)c1

BDBM13266

Cc1ccnc(Nc2ncc(s2)C(=O)Nc2c(C)cccc2Cl)c1

BDBM50097396

Cc1ccncc1-c1cccc2c(N)c(nnc12)C(N)=O

BDBM50425387

Cc1cn(cn1)-c1cc(C)cc(NC(=O)c2ccc(C)c(Nc3nccc(n3)-c3cccnc3)c2)c1

BDBM50425385

Cc1cn(cn1)-c1cc(F)cc(NC(=O)c2ccc(C)c(Nc3nccc(n3)-c3cccnc3)c2)c1

BDBM50311889

Cc1cn(cn1)-c1cc(NC(=O)c2ccc(C)c(Nc3nc4ccccc4n3-c3cc(N)ncn3)c2)cc(c1)C(F)(F)F

BDBM50237710

Cc1cn(cn1)-c1cc(NC(=O)c2ccc(C)c(Nc3nccc(n3)-c3cccnc3)c2)cc(c1)C(F)(F)F

BDBM50425386

Cc1cn(cn1)-c1cccc(NC(=O)c2ccc(C)c(Nc3nccc(n3)-c3cccnc3)c2)c1

BDBM50335188

Cc1cn2c(cnc2c(Nc2cc(CN3CCC(F)(F)C3)ns2)n1)-c1cn[nH]c1

BDBM50329201

Cc1cn2c(cnc2c(Nc2cc(CN3CCCCC3(C)C)ns2)n1)-c1cn[nH]c1

BDBM50335179

Cc1cn2c(cnc2c(Nc2cc(CN3CCCCC3)ns2)n1)-c1cn[nH]c1

BDBM50381996

Cc1cn2c(cnc2c(Nc2cc(CN3CCCCC3)ns2)n1)-c1cnn(CC(=O)Nc2cccc(F)c2F)c1

BDBM50329200

Cc1cn2c(cnc2c(Nc2cc(CN3CCOCC3(C)C)ns2)n1)-c1cn[nH]c1

BDBM50460773

Cc1cn2c(cnc2c(Nc2cc(Cc3ccccn3)ns2)n1)-c1cn[nH]c1

BDBM50460772

Cc1cn2c(cnc2c(Nc2cc(ns2)C(NC(C)(C)C)c2ccccn2)n1)-c1cn[nH]c1

BDBM50354438

Cc1cn2c(cnc2c(Nc2ccc(C(=O)N3CCCNCC3)c(Cl)c2)n1)-c1cn[nH]c1

BDBM50354440

Cc1cn2c(cnc2c(Nc2ccc(C(=O)N3CCN(CCO)CC3)c(Cl)c2)n1)-c1cn[nH]c1

BDBM50354419

Cc1cn2c(cnc2c(Nc2ccc(C(=O)N3CCNC(C)(C)C3)c(Cl)c2)n1)-c1cn[nH]c1

BDBM50354435

Cc1cn2c(cnc2c(Nc2ccc(C(=O)N3CCNC4(CC4)C3)c(Cl)c2)n1)-c1cn[nH]c1

BDBM50354422

Cc1cn2c(cnc2c(Nc2ccc(C(=O)N3CCNCC3(C)C)c(Cl)c2)n1)-c1cn[nH]c1

BDBM50354408

Cc1cn2c(cnc2c(Nc2ccc(C(=O)N3CCNCC3)c(Cl)c2)n1)-c1cn[nH]c1

BDBM50354424

Cc1cn2c(cnc2c(Nc2ccc(C(=O)N3CCNCC3)c(c2)C(F)(F)F)n1)-c1cn[nH]c1

BDBM50354427

Cc1cn2c(cnc2c(Nc2ccc(C(=O)N3CCNCC3)c(c2)C2CC2)n1)-c1cn[nH]c1

BDBM50354428

Cc1cn2c(cnc2c(Nc2ccc(C(=O)N3CCNCC33CC3)c(Cl)c2)n1)-c1cn[nH]c1

BDBM50354445

Cc1cn2c(cnc2c(Nc2ccc(C(=O)N3CCOCC3)c(Cl)c2)n1)-c1cn[nH]c1

BDBM50354457

Cc1cn2c(cnc2c(Nc2ccc(C(=O)N3C[C@@H]4CC[C@H](C3)N4)c(Cl)c2)n1)-c1cn[nH]c1 |r|

BDBM50354431

Cc1cn2c(cnc2c(Nc2ccc(C(=O)N3C[C@H]4CC[C@@H]3CN4)c(Cl)c2)n1)-c1cn[nH]c1 |r|

BDBM50354443

Cc1cn2c(cnc2c(Nc2ccc(cc2)C(=O)N2CCNCC2)n1)-c1cn[nH]c1

BDBM50354450

Cc1cn2c(cnc2c(Nc2ccc(cc2Cl)C(=O)N2CCNCC2)n1)-c1cn[nH]c1

BDBM50354452

Cc1cn2c(cnc2c(Nc2ccc(cc2Cl)C(=O)N2CCOCC2)n1)-c1cn[nH]c1

BDBM50354426

Cc1cn2c(cnc2c(Nc2ccc(cc2F)C(=O)N2CCNC(C)(C)C2)n1)-c1cn[nH]c1

BDBM50354430

Cc1cn2c(cnc2c(Nc2ccc(cc2F)C(=O)N2CCNCC2(C)C)n1)-c1cn[nH]c1

BDBM50354434

Cc1cn2c(cnc2c(Nc2ccc(cc2F)C(=O)N2CCNCC2)n1)-c1cn[nH]c1

BDBM50354454

Cc1cn2c(cnc2c(Nc2ccc(cc2F)C(=O)N2CCOCC2)n1)-c1cn[nH]c1

BDBM50354437

Cc1cn2c(cnc2c(Nc2ccnc(c2)N2CCNCC2)n1)-c1cn[nH]c1

BDBM50332294

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

BDBM50131127

Cc1cnc(Nc2nc3ccc(cc3s2)C(=O)Nc2c(C)cc(C)cc2C)c(C)c1

BDBM13263

Cc1cnc(Nc2ncc(s2)C(=O)Nc2c(C)cccc2Cl)c(C)n1

BDBM50593048

Cc1cnc(cc1C(=O)NC(C)(C)C)C#Cc1ccc2c3c(oc2c1)C(C)(C)c1cc(NS(C)(=O)=O)ccc1C3=O

BDBM309622

Cc1cnc(s1)C(=O)N[C@@H]1CCCN(C1)c1nnc(C(N)=O)c(Nc2ccc(cc2)C(=O)N2CCOCC2)n1 |r|

BDBM25919

Cc1cnc2c(NCCN)nc3ccc(C)cc3n12

BDBM309628

Cc1csc(n1)C(=O)N[C@@H]1CCCN(C1)c1nnc(C(N)=O)c(Nc2ccc(cc2)C(=O)N2CCOCC2)n1 |r|

BDBM50235833

Cc1n[nH]c2cc(Nc3nc(NC4CC4)c4occc4n3)ccc12

BDBM15138

Cc1n[nH]c2ccc(cc12)-c1cncc(OC[C@@H](N)Cc2ccccc2)c1 |r|

BDBM50277583

Cc1nc(N)sc1-c1ccnc(Nc2ccc(cc2)N2CCOCC2)n1

BDBM13215

Cc1nc(N)sc1C(=O)Nc1c(C)cc(C)cc1C

BDBM13231

Cc1nc(NC(=O)C(C)(C)C)sc1C(=O)Nc1c(C)cc(C)cc1C

BDBM13239

Cc1nc(NC(=O)C2CC2)sc1C(=O)Nc1c(C)cccc1Cl

BDBM13243

Cc1nc(NC(=O)NC(C)(C)C)sc1C(=O)Nc1c(C)cc(C)cc1C

BDBM13244

Cc1nc(NC(=O)NCc2ccccc2)sc1C(=O)Nc1c(C)cc(C)cc1C

BDBM13241

Cc1nc(NC(=O)Nc2ccccc2)sc1C(=O)Nc1c(C)cc(C)cc1C

BDBM13220

Cc1nc(NC(=O)OC(C)(C)C)sc1C(=O)Nc1c(C)cc(Br)cc1C

BDBM13217

Cc1nc(NC(=O)OC(C)(C)C)sc1C(=O)Nc1c(C)cc(C)cc1C

BDBM13219

Cc1nc(NC(=O)OC(C)(C)C)sc1C(=O)Nc1c(C)cccc1C

BDBM13218

Cc1nc(NC(=O)OC(C)(C)C)sc1C(=O)Nc1c(C)cccc1Cl

BDBM13221

Cc1nc(NC(=O)OC(C)(C)C)sc1C(=O)Nc1c(Cl)cccc1Cl

BDBM13224

Cc1nc(NC(=O)c2ccccc2)sc1C(=O)Nc1c(C)cc(C)cc1C

BDBM13238

Cc1nc(NC(=O)c2ccccc2)sc1C(=O)Nc1c(C)cccc1Cl

BDBM13232

Cc1nc(NC(=O)c2ccco2)sc1C(=O)Nc1c(C)cc(C)cc1C

BDBM13237

Cc1nc(NC(=O)c2ccco2)sc1C(=O)Nc1c(C)cccc1Cl

BDBM13236

Cc1nc(NC(=O)c2cccs2)sc1C(=O)Nc1c(C)cccc1Cl

BDBM13233

Cc1nc(NC(=O)c2ccoc2)sc1C(=O)Nc1c(C)cc(C)cc1C

BDBM13234

Cc1nc(NC(=O)c2ccsc2)sc1C(=O)Nc1c(C)cc(C)cc1C

BDBM13235

Cc1nc(NC(=O)c2ccsc2)sc1C(=O)Nc1c(C)cccc1Cl

BDBM13276

Cc1nc(NCCCN2CCOCC2)cc(Nc2ncc(s2)C(=O)Nc2c(C)cccc2Cl)n1

BDBM50263516

Cc1nc(NCCN2CCOCC2)cc(Nc2cc(ncn2)-n2c(Nc3c(C)cccc3Cl)nc3ccccc23)n1

BDBM50263515

Cc1nc(Nc2cc(ncn2)-n2c(Nc3c(C)cccc3Cl)nc3ccccc23)cc(n1)N1CCN(CCO)CC1

BDBM13278

Cc1nc(Nc2ncc(s2)C(=O)Nc2c(C)cccc2Cl)cc(n1)N1CCC(CO)CC1

BDBM13216

Cc1nc(Nc2ncc(s2)C(=O)Nc2c(C)cccc2Cl)cc(n1)N1CCN(CCO)CC1

BDBM309623

Cc1ncc(s1)C(=O)N[C@@H]1CCCN(C1)c1nnc(C(N)=O)c(Nc2ccc(cc2)C(=O)N2CCOCC2)n1 |r|

BDBM50112953

Cc1ncc2c(Nc3ccccc3Br)nc3ccccc3n12

BDBM50111435

Cc1nccc2c3ccc(F)cc3[nH]c12

BDBM50080273

Cc1nccn1C(=O)c1ccccc1C(O)=O

BDBM50112934

Cc1ncn2c1c(Nc1ccccc1Cl)nc1ccccc21

BDBM50360453

Cc1ncnc(Nc2ccc(OCc3cccc(F)c3)c(Cl)c2)c1C#Cc1ccc(CN2CCCC2)c(F)c1

BDBM50265035

Cc1nnc(o1)-c1ccc(c(C)c1)-c1cc(NC(=O)c2ccnc(c2)N2CCCC2)ccc1C

BDBM50265033

Cc1nnc(o1)-c1ccc(c(C)c1)-c1cc(ccc1C)C(=O)NC1CC1

BDBM50265034

Cc1nnc(o1)-c1ccc(c(C)c1)-c1cc(ccc1C)C(=O)Nc1cccc(c1)N1CCOCC1

BDBM50598491

Cc1nnc2[nH]c(C)c(CC(=O)Nc3ncc(Cc4ccccc4F)s3)c(=O)n12

BDBM50536681

Cc1sc(cc1-c1cnn2cc(Cl)cnc12)C(=O)N[C@@H]1[C@H](N)CCCC1(F)F |r|

BDBM50545636

Cl.C1CCC(CC1)Oc1ncnc2[nH]ccc12

BDBM50545634

Cl.CC(C1CCCCC1)c1ncnc2[nH]ccc12

BDBM50545611

Cl.CN(C1CCCCC1)c1ccnc2ccccc12

BDBM50545619

Cl.CN(C1CNC(=O)C1)C1CCCCC1

BDBM50354423

Clc1cc(Nc2nc(cn3c(cnc23)-c2cn[nH]c2)C2CC2)ccc1C(=O)N1CCNC2(CC2)C1

BDBM50354420

Clc1cc(Nc2nc(cn3c(cnc23)-c2cn[nH]c2)C2CC2)ccc1C(=O)N1CCNCC1

BDBM50354417

Clc1cc(Nc2nc(cn3c(cnc23)-c2cn[nH]c2)C2CC2)ccc1C(=O)N1CCNCC11CC1

BDBM50354410

Clc1cc(Nc2nc(cn3c(cnc23)-c2cn[nH]c2)C2CC2)ccc1C(=O)N1CCOCC1

BDBM50354418

Clc1cc(Nc2nc(cn3c(cnc23)-c2cn[nH]c2)C2CC2)ccc1C(=O)N1C[C@@H]2CC[C@H](C1)N2 |r|

BDBM50354429

Clc1cc(Nc2nc(cn3c(cnc23)-c2cn[nH]c2)C2CC2)ccc1C(=O)N1C[C@H]2CC[C@@H]1CN2 |r|

BDBM50354451

Clc1cc(ccc1Nc1nc(cn2c(cnc12)-c1cn[nH]c1)C1CC1)C(=O)N1CCNCC1

BDBM50354453

Clc1cc(ccc1Nc1nc(cn2c(cnc12)-c1cn[nH]c1)C1CC1)C(=O)N1CCOCC1

BDBM408589

Clc1cc(ccc1Oc1ccccc1)-n1c2cnccc2n([C@@H]2CCN(C2)C(=O)C=C)c1=O

BDBM50224883

Clc1cc2NC(=O)Nc3cnc(C#N)c(OCCCCOc2cc1NCc1cncs1)n3

BDBM50425830

Clc1ccc(Cl)c(CNc2ncc(C(=O)NCCCN3CCCC3=O)c(NC3CCCC3)n2)c1

BDBM50425829

Clc1ccc(Cl)c(CNc2ncc(C(=O)NCCCN3CCOC3=O)c(NC3CCCC3)n2)c1

BDBM50375686

Clc1ccc(NC(=O)N2CCOc3cc(Oc4ncnc5[nH]ccc45)ccc23)cc1

BDBM4851

Clc1ccc(Nc2nnc(Cc3ccncc3)c3ccccc23)cc1

BDBM408594

Clc1ccc(Oc2ccc(cc2)-n2c3cnccc3n([C@@H]3CCN(C3)C(=O)C=C)c2=O)cc1Cl

BDBM50045370

Clc1ccc(cc1)-c1ccc(o1)-c1nccn1-c1ccc(cc1)N1CCNCC1

BDBM50362169

Clc1ccc(cc1)-c1ccc(o1)C(=O)Nc1ccc(cc1)N1CCNCC1

BDBM50613394

Clc1ccc(cc1)-c1ccncc1NC(=O)c1ccnc(NC(=O)C2CC2)c1

BDBM50388872

Clc1ccc(cc1NC(=O)Cc1ccccc1)-c1nc2sccn2c1-c1ccnc(Nc2ccc(cc2)N2CCOCC2)n1

BDBM50039654

Clc1ccc2cc(cnc2c1)-c1ccncc1

BDBM538658

Clc1ccc2ncc(-c3cccc(NC4CCCNC4)n3)n2c1

BDBM50377170

Clc1ccc2ncc(-c3cccc(NC4CCNCC4)n3)n2c1

BDBM50112929

Clc1cccc(CCNc2nc3ccccc3n3cncc23)c1

BDBM24654

Clc1cccc(Cl)c1C(=O)Nc1cn[nH]c1C(=O)NC1CCNCC1

BDBM50112912

Clc1cccc(Cl)c1C(=O)Nc1nc2ccccc2n2cncc12

BDBM50188342

Clc1cccc(Cl)c1C1=Cc2cnc(Nc3ccc(cc3)N3CCOCC3)nc2N2CCC(=O)N12 |t:9|

BDBM50188353

Clc1cccc(Cl)c1C1=Cc2cnc(Nc3ccccc3)nc2N2CCC(=O)N12 |t:9|

BDBM50186552

Clc1cccc(Cl)c1NC(=O)N(c1ccncc1)c1cc(Nc2ccc(cc2)N2CCOCC2)ncn1

BDBM50374172

Clc1cccc(Cl)c1NC(=O)c1nc2ccccc2n2cncc12

BDBM50116398

Clc1cccc(Cl)c1Nc1nc2ccc3CCNC(=O)c3c2[nH]1

BDBM50112931

Clc1cccc(Cl)c1Nc1nc2ccccc2n2cncc12

BDBM3263

Clc1cccc(Nc2ncnc3ccccc23)c1

BDBM50311288

Clc1ccccc1NC(=O)c1cnn2ccccc12

BDBM50112936

Clc1ccccc1Nc1nc2ccccc2n2cncc12

BDBM50246553

Clc1ccccc1Nc1ncc(-c2ccccc2)n2cncc12

BDBM50116394

Cn1c(Nc2c(Cl)cccc2Cl)nc2c3C(=O)NC(=O)C(C)(C)c3ccc12

BDBM31088

Cn1c(Nc2ccc(cc2)C(F)(F)F)nc2cc(Oc3ccnc(c3)-c3ncc([nH]3)C(F)(F)F)ccc12

BDBM50131822

Cn1c(Nc2cccc(c2)C(C)(C)C)nc2cc(Oc3ccnc(c3)-c3ncc([nH]3)C(F)(F)F)ccc12

BDBM50127687

Cn1c(Nc2cccc(c2)C(C)(C)C)nc2cc(Oc3ccnc(c3)-c3ncc[nH]3)ccc12

BDBM50363167

Cn1c2c(C(C#N)C3(CCNCC3)NC2=O)c2ccc(Cl)c(Cl)c12

BDBM50341345

Cn1c2nc(NC3CCOCC3)ncc2cc(-c2ccccc2Cl)c1=O

BDBM6569

Cn1c2nc(Nc3ccc(F)cc3)ncc2cc(-c2c(Cl)cccc2Cl)c1=O |(-.18,-.45,;-.18,1.09,;-1.51,1.86,;-2.84,1.08,;-4.18,1.85,;-5.51,1.08,;-6.84,1.86,;-6.84,3.4,;-8.18,4.17,;-9.51,3.4,;-10.84,4.17,;-9.51,1.86,;-8.18,1.08,;-4.18,3.39,;-2.84,4.16,;-1.51,3.4,;-.18,4.17,;1.16,3.4,;2.49,4.17,;2.49,5.71,;1.16,6.48,;3.83,6.48,;5.16,5.71,;5.16,4.17,;3.83,3.39,;3.83,1.85,;1.16,1.86,;2.49,1.09,)|

BDBM4213

Cn1c2nc(Nc3ccc(cc3)N3CCOCC3)ncc2cc(-c2c(Cl)cccc2Cl)c1=O |(-.52,-2.15,;-.52,-.61,;-1.86,.16,;-3.19,-.61,;-4.53,.16,;-5.86,-.61,;-7.19,.16,;-8.55,-.56,;-9.86,.26,;-9.8,1.8,;-8.44,2.52,;-7.14,1.7,;-11.11,2.62,;-11.11,4.16,;-12.44,4.93,;-13.78,4.16,;-13.78,2.62,;-12.44,1.85,;-4.53,1.7,;-3.19,2.47,;-1.86,1.7,;-.52,2.47,;.81,1.7,;2.14,2.47,;2.14,4.01,;.81,4.78,;3.48,4.78,;4.81,4.01,;4.81,2.47,;3.48,1.7,;3.48,.16,;.81,.16,;2.14,-.61,)|

BDBM139539

Cn1c2nc(Nc3ccc4[nH]ccc4c3)ncc2cc(Sc2ccc(F)cc2)c1=O

BDBM50135286

Cn1c2nc(Nc3ccc4[nH]ccc4c3)ncc2cc(c1=O)S(=O)(=O)c1ccc(F)cc1F

BDBM3085

Cn1c2nc(Nc3cccc(CO)c3)ncc2cc(-c2c(Cl)cccc2Cl)c1=O |(-2.82,-1.97,;-2.82,-.43,;-4.15,.34,;-5.48,-.43,;-6.82,.34,;-8.15,-.43,;-8.15,-1.97,;-6.82,-2.74,;-6.82,-4.28,;-8.15,-5.05,;-9.48,-4.28,;-10.82,-5.05,;-12.15,-4.28,;-9.48,-2.74,;-6.82,1.88,;-5.48,2.65,;-4.15,1.88,;-2.82,2.65,;-1.48,1.88,;-.15,2.65,;-.15,4.19,;-1.48,4.96,;1.18,4.96,;2.52,4.19,;2.52,2.65,;1.18,1.88,;1.18,.34,;-1.48,.34,;-.15,-.43,)|

BDBM50396534

Cn1cc(-c2ccc3N(CCc3c2)C(=O)Cc2cccc(c2)C(F)(F)F)c2c(N)ncnc12

BDBM50128285

Cn1cc(C2=C(C(=O)NC2=O)c2cn(C3CCN(Cc4ccccn4)CC3)c3ccccc23)c2ccccc12 |t:4|

BDBM50389975

Cn1cc(Nc2ncc(Br)c(N[C@@H]3[C@@H]4C[C@@H](C=C4)[C@@H]3C(N)=O)n2)cn1 |r,c:16|

BDBM60589

Cn1cc(cn1)-c1ccc2nnc(Sc3ccc4ncccc4c3)n2n1

BDBM50097397

Cn1cc(cn1)-c1cccc2c(N)c(nnc12)C(N)=O

BDBM538621

Cn1cc(cn1)-c1cn2c(cnc2cc1CO)-c1cccc(NC2CCNC2)n1

BDBM50536678

Cn1cc(cn1)-c1cnc2c(cnn2c1)-c1csc(c1)C(=O)NCC(F)(F)F

BDBM50536679

Cn1cc(cn1)-c1cnc2c(cnn2c1)-c1csc(c1)C(=O)N[C@@H]1CCCC[C@@H]1N |r|

BDBM514887

Cn1cc(cn1)-c1nc2c(ccnc2[nH]1)-c1ccc(CNC(=O)c2nc(no2)C(C)(C)C)c(F)c1

BDBM514891

Cn1cc(cn1)-c1nc2c(ccnc2[nH]1)-c1ccc(CNC(=O)c2noc(n2)C(C)(C)C)c(F)c1

BDBM50355497

Cn1cnc2c(F)c(Nc3ccc(Br)cc3Cl)c(cc12)C(=O)NOCCO

BDBM50307506

Cn1nc(C(N)=O)c2CCc3cnc(NC4CCN(CC4)C(=O)c4ccccc4)nc3-c12

BDBM50536675

FC(F)(F)CNC(=O)c1cc(cs1)-c1cnn2cc(cnc12)-c1ccc(OCCN2CCCCC2)cc1

BDBM50235817

FC(F)(F)CNc1nc(Nc2ccc(N3CCOCC3)c(Cl)c2)nc2ccoc12

BDBM50235820

FC(F)(F)CNc1nc(Nc2ccc3cn[nH]c3c2)nc2ccoc12

BDBM50356877

FC(F)(F)Oc1ccc(NC(=O)c2sccc2NCc2ccnc3ccccc23)cc1

BDBM50429477

FC(F)(F)c1cc(NC(=O)Nc2ccc(Oc3ncnc4n[nH]cc34)cc2)ccc1Cl

BDBM50312153

FC(F)(F)c1cccc(NC(=O)Nc2cccc(c2)-c2cn3ccnc3c(NCc3ccncc3)n2)c1

BDBM50200392

FC(F)(F)c1cccc(Nc2ccnc(Nc3cccc(NC(=O)C4CC4)c3)n2)c1

BDBM50264389

FC(F)(F)c1cccc(Nc2noc3c(C(=O)Nc4cncnc4)c(Cl)ccc23)c1

BDBM50314051

FC(F)(F)c1cccc(c1)C(=O)Nc1cccc(c1)-c1ccnc2cc(nn12)-c1ccncc1

BDBM50315652

FC(F)(F)c1cccc(c1)C(=O)Nc1cccc(c1)-c1ncnc2sc(cc12)-c1ccncc1

BDBM50516235

FC(F)Oc1ccc(NC(=O)NC2CCN(CC2)c2ncnc3n(c(nc23)-c2ccccc2Cl)-c2ccc(Cl)cc2)cn1

BDBM50537983

FC(F)c1ccc2c(n[nH]c2c1)-c1cc2c(OCCNC(=O)C=C)cc(Cc3ccccc3)cc2[nH]1

BDBM109867

FC1(F)CN(C(=O)CC#N)C11CCCN(C1)c1ncnc2[nH]ccc12

BDBM109866

FC1(F)CN(C(=O)CC#N)C11CCN(C1)c1ncnc2[nH]ccc12

BDBM408596

Fc1c(Cl)cccc1Oc1ccc(cc1)-n1c2cnccc2n([C@@H]2CCCN(C2)C(=O)C=C)c1=O

BDBM50307879

Fc1c(NC(=O)c2cccc(OC(F)(F)F)c2)cc(Oc2cccc3[nH]c(=O)[nH]c23)c(F)c1F

BDBM50189603

Fc1cc(F)c(cc1NCc1cnc(Nc2ccccn2)s1)C(=O)NC1CC1

BDBM408598

Fc1cc(F)cc(Oc2ccc(cc2)-n2c3cnccc3n(-c3cccc(NC(=O)C=C)c3)c2=O)c1

BDBM50354415

Fc1cc(ccc1Nc1nc(cn2c(cnc12)-c1cn[nH]c1)C1CC1)C(=O)N1CCNCC1

BDBM50354433

Fc1cc(ccc1Nc1nc(cn2c(cnc12)-c1cn[nH]c1)C1CC1)C(=O)N1CCOCC1

BDBM408595

Fc1cc(ccc1Oc1cccc(Cl)c1)-n1c2cnccc2n(-c2cccc(NC(=O)C=C)c2)c1=O

BDBM408605

Fc1cc(ccc1Oc1ccccc1)-n1c2cnccc2n(-c2cccc(NC(=O)C=C)c2)c1=O

BDBM50132260

Fc1ccc(C(=O)NOCC2CC2)c(Nc2ccc(I)cc2Cl)c1F

BDBM50601512

Fc1ccc(NC(=O)N2CCCC2)cc1-c1ccn2c(cnc2n1)N1CCOCC1

BDBM50317750

Fc1ccc(NC(=O)c2cccnc2Nc2ccc(Oc3ccnc4[nH]ccc34)c(F)c2)c(F)c1

BDBM50188349

Fc1ccc(Nc2ncc3C=C(N4N(CCC4=O)c3n2)c2c(Cl)cccc2Cl)cc1 |c:10|

BDBM4779

Fc1ccc(Nc2ncnc3cc(OCCCN4CCOCC4)c(NC(=O)C=C)cc23)cc1Cl

BDBM15244

Fc1ccc(Sc2ccc3c(-c4c(Cl)cccc4Cl)c(=O)ncn3n2)c(F)c1 |(-1.69,6.87,;-1.69,5.33,;-.36,4.56,;-.36,3.02,;-1.69,2.25,;-1.69,.71,;-3.03,-.06,;-3.03,-1.6,;-4.36,-2.37,;-5.75,-1.54,;-7.08,-2.31,;-7.08,-3.85,;-5.75,-4.62,;-4.42,-3.85,;-5.75,-6.16,;-7.08,-6.93,;-8.42,-6.16,;-8.42,-4.62,;-9.75,-3.85,;-8.42,-1.54,;-9.75,-2.31,;-8.42,,;-7.08,.77,;-5.75,,;-4.36,.71,;-3.03,3.02,;-4.36,2.25,;-3.03,4.56,)|

BDBM17060

Fc1ccc(c(F)c1)-c1cc(cc2N(C(=O)NCc12)c1c(Cl)cccc1Cl)C1CCNCC1

BDBM50613393

Fc1ccc(cc1)-c1ccncc1NC(=O)c1ccnc(NC(=O)C2CC2)c1

BDBM50360605

Fc1ccc2[nH]c(cc2c1)C(=O)N1C[C@]2(CCN(C2)C2CCCNC2)c2ccccc12 |r|

BDBM50360611

Fc1ccc2cc([nH]c2c1)C(=O)N1C[C@]2(CCN(C2)C2CCNC2)c2ccccc12 |r|

BDBM50241719

Fc1cccc(Cl)c1CNc1nc(n[nH]1)-c1cccc(NC(=O)C=C)c1

BDBM50241728

Fc1cccc(Cl)c1CNc1nc(n[nH]1)-c1ccccc1

BDBM50241718

Fc1cccc(Cl)c1CNc1nc(n[nH]1)-c1ccco1

BDBM50204134

Fc1cccc(Cn2ncc3cc(Nc4ncnn5ccc(COC[C@@H]6CNCCO6)c45)ccc23)c1

BDBM484337

Fc1cccc(F)c1COc1ccc(cc1)-c1nc([C@@H]2CCCN2C(=O)C=C)n2ccncc12 |r|

BDBM50112943

Fc1cccc(F)c1Nc1nc2ccccc2n2cncc12

BDBM50112930

Fc1cccc(Nc2nc3ccccc3n3cncc23)c1

BDBM484221

Fc1cccc(Oc2ccc(cc2)-c2nc([C@@H]3CCCN3C(=O)C=C)n3ccncc23)c1F |r|

BDBM408597

Fc1cccc(Oc2ccc(cc2)-n2c3cnccc3n([C@@H]3CCN(C3)C(=O)C=C)c2=O)c1Cl

BDBM50112949

Fc1ccccc1Nc1nc2ccccc2n2cncc12

BDBM50355501

N#CC[C@H](C1CCCC1)n1cc(cn1)-c1ncnc2[nH]ccc12 |r|

BDBM50092080

N#Cc1ccc(cc1)-c1cnc2ccc(NCc3ccccc3)nn12

BDBM50092231

N(c1ccc(Oc2ccccc2)cc1)c1ncnc2ccccc12

BDBM50112946

N(c1ccccc1)c1nc2ccccc2n2cncc12

BDBM50112945

N(c1cccnc1)c1nc2ccccc2n2cncc12

BDBM50112954

N(c1ccncc1)c1nc2ccccc2n2cncc12

BDBM50046757

NC(=O)C(=C\c1cc(O)c(O)c(O)c1)\C#N

BDBM50046755

NC(=O)C(=C\c1cc(O)cc(O)c1)\C#N

BDBM50279861

NC(=O)C(=C\c1cc(O)ccc1O)\C#N

BDBM4301

NC(=O)C(=C\c1ccc(O)c(O)c1)\C#N

BDBM4355

NC(=O)C(=C\c1ccc(O)cc1)\C#N

BDBM50046753

NC(=O)C(=C\c1cccc(O)c1)\C#N

BDBM50097979

NC(=O)CN1CCC(CC1)n1cc(-c2cccc(O)c2)c2c(N)ncnc12

BDBM50305134

NC(=O)COc1ccc2CCn3nc(c(C(N)=O)c3Nc2c1)-c1ccc(Oc2ccccc2)cc1

BDBM50305143

NC(=O)COc1ccc2Nc3c(C(N)=O)c(nn3CCc2c1)-c1ccc(Oc2ccccc2)cc1

BDBM50092245

NC(=O)c1c(-c2ccc(Oc3ccccc3)cc2)c2c(N)ncnc2n1C1CCCC1

BDBM50305146

NC(=O)c1c(N)c([nH]c1-c1ccc(Oc2ccccc2)cc1)C(=O)c1c(F)cccc1F

BDBM50504981

NC(=O)c1c2NCCCCCn2nc1-c1ccc2scnc2c1

BDBM50504966

NC(=O)c1c2NCCCCn2nc1-c1ccc2scnc2c1

BDBM50504976

NC(=O)c1c2NCCCn2nc1-c1ccc2scnc2c1

BDBM250082

NC(=O)c1c2NCC[C@@H](C3CCN(CC3)C(=O)C=C)n2nc1-c1ccc(Oc2ccccc2)cc1 |r|

BDBM50305135

NC(=O)c1c2Nc3cc(OCC(O)=O)ccc3CCn2nc1-c1ccc(Oc2ccccc2)cc1

BDBM50305138

NC(=O)c1c2Nc3cc(OCCN4CCOCC4)ccc3CCn2nc1-c1ccc(Oc2ccccc2)cc1

BDBM50305132

NC(=O)c1c2Nc3cc(OCCO)ccc3CCn2nc1-c1ccc(Oc2ccccc2)cc1

BDBM50305137

NC(=O)c1c2Nc3cc(OCc4cccnc4)ccc3CCn2nc1-c1ccc(Oc2ccccc2)cc1

BDBM50305117

NC(=O)c1c2Nc3ccc(OCCN4CCOCC4)cc3CCn2nc1-c1ccc(Oc2ccccc2)cc1

BDBM50305142

NC(=O)c1c2Nc3ccc(OCCO)cc3CCn2nc1-c1ccc(Oc2ccccc2)cc1

BDBM50305144

NC(=O)c1c2Nc3ccc(OCc4ccccn4)cc3CCn2nc1-c1ccc(Oc2ccccc2)cc1

BDBM50305145

NC(=O)c1c2Nc3ccc(OCc4cccnc4)cc3CCn2nc1-c1ccc(Oc2ccccc2)cc1

BDBM50305116

NC(=O)c1c2Nc3ccc(OCc4ccncc4)cc3CCn2nc1-c1ccc(Oc2ccccc2)cc1

BDBM138348

NC(=O)c1cc(F)cc2CN(C3CCN(CC3)C3CCC(F)(F)CC3)C(=O)c12

BDBM50329427

NC(=O)c1cc([nH]c1-c1ccccc1)-c1ccnc(N)n1

BDBM50046760

NC(=O)c1cc2cc(O)c(O)cc2cn1

BDBM50029208

NC(=O)c1cc2cc(O)c(O)cc2oc1=N

BDBM50046761

NC(=O)c1cc2cc(O)ccc2oc1=N

BDBM50046762

NC(=O)c1cc2ccc(O)c(O)c2cn1

BDBM50029220

NC(=O)c1cc2ccc(O)c(O)c2oc1=N

BDBM50046759

NC(=O)c1cc2ccc(O)cc2oc1=N

BDBM50046758

NC(=O)c1cc2cccc(O)c2oc1=N

BDBM50046756

NC(=O)c1cc2ccccc2oc1=N

BDBM50545628

NC(=O)c1ccc(Nc2ncc(c(n2)N2CCCC2)C(F)(F)F)cc1

BDBM50545629

NC(=O)c1ccc(Nc2ncc(c(n2)N2CCCCC2)C(F)(F)F)cc1

BDBM50545631

NC(=O)c1ccc(Nc2ncc(c(n2)N2CC[C@H](O)C2)C(F)(F)F)cc1 |r|

BDBM50110208

NC(=O)c1ccc(cc1)-c1nc(c([nH]1)-c1ccc2OCOc2c1)-c1ccccn1

BDBM50046763

NC(=O)c1ccc2cc(O)c(O)cc2c1

BDBM50613372

NC(=O)c1cnc(Nc2cccc(O)n2)cc1Nc1ccccc1Cl

BDBM50046754

NC(=O)c1cnc2cc(O)c(O)cc2c1

BDBM309681

NC(=O)c1ncc(nc1Nc1ccc(cc1)C1CCN(CC1)C(=O)CC#N)N1CCC[C@H](C1)NC(=O)N1CCCCC1 |r|

BDBM309809

NC(=O)c1ncc(nc1Nc1ccc(cc1)C1CCN(CC1)C1CCC1)N1CCC[C@H](C1)N1CCN(C2CC2)C1=O |r|

BDBM309859

NC(=O)c1ncc(nc1Nc1ccc(cc1)C1CCN(CC1)C1CCCC1)N1CCCC[C@H](C1)NC(=O)C1CC1 |r|

BDBM309819

NC(=O)c1ncc(nc1Nc1ccc(cc1)C1CCN(CC1)C1CCCC1)N1CCC[C@@H]2[C@H]1CCN2C(=O)C1CC1 |r|

BDBM309811

NC(=O)c1ncc(nc1Nc1ccc(cc1)C1CCN(CC1)C1CCCC1)N1CCC[C@H](C1)N1CCN(C1=O)c1cccc(Cl)c1 |r|

BDBM309808

NC(=O)c1ncc(nc1Nc1ccc(cc1)C1CCN(CC1)C1CCCC1)N1CCC[C@H](C1)N1CCN(C2CC2)C1=O |r|

BDBM309805

NC(=O)c1ncc(nc1Nc1ccc(cc1)C1CCN(CC1)C1CCCC1)N1CCC[C@H](C1)N1CCNC1=O |r|

BDBM309838

NC(=O)c1ncc(nc1Nc1ccc(cc1)C1CCN(CC1)C1CCCC1)N1CCC[C@H](C1)N1Cc2ccccc2C1=O |r|

BDBM309830

NC(=O)c1ncc(nc1Nc1ccc(cc1)C1CCN(CC1)C1CCCC1)N1CCC[C@H](C1)NC(=O)C1CC1 |r|

BDBM309837

NC(=O)c1ncc(nc1Nc1ccc(cc1)C1CCN(CC1)C1CCCC1)N1CCC[C@H](C1)NC(=O)CCCBr |r|

BDBM309851

NC(=O)c1ncc(nc1Nc1ccc(cc1)C1CCN(CC1)C1CCCC1)N1CCC[C@H](C1)NC(=O)c1ccc(F)cc1 |r|

BDBM309834

NC(=O)c1ncc(nc1Nc1ccc(cc1)C1CCN(CC1)C1CCCC1)N1CCC[C@H](C1)NC(=O)c1ccccc1 |r|

BDBM309835

NC(=O)c1ncc(nc1Nc1ccc(cc1)C1CCN(CC1)C1CCCC1)N1CCC[C@H](C1)NC(=O)c1cccnc1 |r|

BDBM309836

NC(=O)c1ncc(nc1Nc1ccc(cc1)C1CCN(CC1)C1CCCC1)N1CCC[C@H](C1)NC(=O)c1cncc(F)c1 |r|

BDBM309826

NC(=O)c1ncc(nc1Nc1ccc(cc1)C1CCN(CC1)C1CCCC1)N1CCC[C@H](C1)NC=O |r|

BDBM309824

NC(=O)c1ncc(nc1Nc1ccc(cc1)C1CCN(CC1)C1CCCC1)N1CC[C@H]2CCN([C@H]2C1)C(=O)C1CC1 |r|

BDBM309822

NC(=O)c1ncc(nc1Nc1ccc(cc1)C1CCN(CC1)C1CCCC1)N1CC[C@H]2CCN[C@H]2C1 |r|

BDBM309679

NC(=O)c1ncc(nc1Nc1ccc(cc1)C1CCN(CC1)C=O)N1CCC[C@H](C1)NC(=O)N1CCCCC1 |r|

BDBM309856

NC(=O)c1ncc(nc1Nc1ccc(cc1)C1CCOCC1)N1CCC[C@H](C1)NC(=O)c1cc(O)c2nccn2c1 |r|

BDBM309599

NC(=O)c1nnc(N[C@@H]2CCN(C2)C(=O)C=C)nc1Nc1ccc(cc1)C(=O)N1CCOCC1 |r|

BDBM309613

NC(=O)c1nnc(nc1Nc1ccc(cc1)C(=O)N1CCOCC1)N1CCC[C@H](C1)NC(=O)C(=O)N1CCCCC1 |r|

BDBM309608

NC(=O)c1nnc(nc1Nc1ccc(cc1)C(=O)N1CCOCC1)N1CCC[C@H](C1)NC(=O)Nc1ccccc1 |r|

BDBM309625

NC(=O)c1nnc(nc1Nc1ccc(cc1)C(=O)N1CCOCC1)N1CCC[C@H](C1)NC(=O)c1cc(on1)C1CC1 |r|

BDBM309616

NC(=O)c1nnc(nc1Nc1ccc(cc1)C(=O)N1CCOCC1)N1CCC[C@H](C1)NC(=O)c1ccc(OCC(F)(F)F)cc1 |r|

BDBM309614

NC(=O)c1nnc(nc1Nc1ccc(cc1)C(=O)N1CCOCC1)N1CCC[C@H](C1)NC(=O)c1ccc2ccccc2n1 |r|

BDBM309615

NC(=O)c1nnc(nc1Nc1ccc(cc1)C(=O)N1CCOCC1)N1CCC[C@H](C1)NC(=O)c1ccc2ncccc2c1 |r|

BDBM309627

NC(=O)c1nnc(nc1Nc1ccc(cc1)C(=O)N1CCOCC1)N1CCC[C@H](C1)NC(=O)c1nc2ccccc2o1 |r|

BDBM309624

NC(=O)c1nnc(nc1Nc1ccc(cc1)C(=O)N1CCOCC1)N1CCC[C@H](C1)NC(=O)c1nc2ccccc2s1 |r|

BDBM309577

NC(=O)c1nnc(nc1Nc1ccc(cc1)C(=O)N1CCOCC1)N1CCC[C@H](C1)Oc1nccc2cc(cc(F)c12)C1CC1 |r|

BDBM309872

NC(=O)c1nnc(nc1Nc1ccc(cc1)C1CCN(CC1)C(=O)CC#N)N1CCC[C@H](C1)NC(=O)N1CCCCC1 |r|

BDBM309867

NC(=O)c1nnc(nc1Nc1ccc(cc1)C1CCN(CC1)C1CCCC1)N1CCC[C@H](C1)NC(=O)N1CCCCC1 |r|

BDBM309868

NC(=O)c1nnc(nc1Nc1ccc(cc1)C1CCN(CC1)C=O)N1CCC[C@H](C1)NC(=O)N1CCCCC1 |r|

BDBM309640

NC(=O)c1nnc(nc1Nc1ccc2cccnc2c1)N1CCC[C@H](C1)NC(=O)N1CCCCC1 |r|

BDBM309639

NC(=O)c1nnc(nc1Nc1cnc2ccccc2c1)N1CCC[C@H](C1)NC(=O)N1CCCCC1 |r|

BDBM50097395

NC(=O)c1nnc2c(cccc2c1N)-c1ccc2cc[nH]c2c1

BDBM50097394

NC(=O)c1nnc2c(cccc2c1N)-c1ccc2cn[nH]c2c1

BDBM50097398

NC(=O)c1nnc2ccccc2c1N

BDBM50064333

NC(Cc1ccc(OP(O)(O)=O)c(N)c1)C(=O)NC1(CCCCC1)C(=O)NC(CC(N)=O)C(N)=O

BDBM50080265

NC(Cc1ccc(OP(O)(O)=O)cc1)C(O)=O

BDBM50333372

NC1CCN(Cc2ccn3ncnc(Nc4ccc(F)c(Cl)c4)c23)CC1

BDBM50217191

NC1CCN(Cc2ccn3ncnc(Nc4ccc5n(Cc6cccc(F)c6)ncc5c4)c23)CC1

BDBM50235544

NC1CCN(Cc2ccn3ncnc(Oc4ccc(NC(=O)NC(=O)Cc5ccc(F)cc5)cc4F)c23)CC1

BDBM50106769

NCCCN(CCCN)CCCN(CCCN(CCCN)CCCN)CCCN(CCCN(CCCN(CCCN)CCCN)CCCN(CCCN)CCCN)CCN1C(=O)C(=C(C1=O)c1ccccc1)c1ccccc1 |c:62|

BDBM50106770

NCCCN(CCCN)CCCN(CCCN(CCCN)CCCN)CCCN(CCCN(CCCN(CCCN)CCCN)CCCN(CCCN)CCCN)CCN1C(=O)c2cccc3cccc(C1=O)c23

BDBM50106768

NCCN(CCCN(CCCN(CCC#N)CCC#N)CCCN(CCC#N)CCC#N)CCCN(CCCN(CCC#N)CCC#N)CCCN(CCC#N)CCC#N

BDBM50305129

NCCOc1ccc2CCn3nc(c(C(N)=O)c3Nc2c1)-c1ccc(Oc2ccccc2)cc1

BDBM50305140

NCCOc1ccc2Nc3c(C(N)=O)c(nn3CCc2c1)-c1ccc(Oc2ccccc2)cc1

BDBM50305006

NCCn1cc(-c2cc(-c3cc4ccccc4s3)c3[nH]ncc3c2)c2nc(N)ncc12

BDBM50114584

NCCn1cc(-c2ccc(Oc3ccccc3)cc2)c2c(N)ncnc12

BDBM50092251

NCc1c(-c2ccc(Oc3ccccc3)cc2)c2c(N)ncnc2n1C1CCCC1

BDBM50329876

NS(=O)(=O)c1ccc(Nc2ncc(o2)-c2ccc(=O)[nH]c2)cc1

BDBM50329886

NS(=O)(=O)c1ccc(Nc2ncc(o2)-c2ccc(O)c(O)c2)cc1

BDBM50239227

NS(=O)(=O)c1cncc(c1)-c1nc(NCc2ccccn2)c2c(cccc2n1)-c1ccccc1

BDBM50255013

N[C@@H](CC(N)=O)C(=O)NCc1cc(C(O)=O)c(Nc2ccc(I)cc2F)c(F)c1F |r|

BDBM309825

N[C@@H]1CCCN(C1)c1cnc(C(N)=O)c(Nc2ccc(cc2)C2CCN(CC2)C2CCCC2)n1 |r|

BDBM50400047

N[C@H]1CCCC[C@H]1Nc1ncc(C(N)=O)c(Nc2cccc(c2)-n2nccn2)n1 |r|

BDBM50395262

N[C@H]1CC[C@@H](CC1)Nc1cc(Nc2ccc(F)c(Cl)c2)n2nccc2n1 |r,wU:4.7,wD:1.0,(19.34,-11.51,;18,-12.28,;16.67,-11.51,;15.33,-12.28,;15.33,-13.82,;16.67,-14.59,;18,-13.82,;14,-14.59,;12.67,-13.82,;12.67,-12.28,;11.33,-11.51,;11.33,-9.97,;12.67,-9.2,;12.67,-7.66,;14,-6.89,;15.33,-7.66,;16.67,-6.89,;15.33,-9.2,;16.67,-9.97,;14,-9.97,;10,-12.28,;8.54,-11.8,;7.63,-13.05,;8.54,-14.29,;10,-13.82,;11.33,-14.59,)|

BDBM50329882

Nc1cc(ccn1)-c1cnn2cc(cnc12)-c1ccc(OCCN2CCOCC2)cc1

BDBM50106765

Nc1cc2C(=O)N(CCN(CCCN(CCCN(CCC#N)CCC#N)CCCN(CCC#N)CCC#N)CCCN(CCCN(CCC#N)CCC#N)CCCN(CCC#N)CCC#N)C(=O)c3cccc(c1)c23

BDBM50037395

Nc1ccc(cc1)-c1cc(=O)c2c(N)c(O)c(N)cc2o1

BDBM50011429

Nc1ccc(cc1)-c1cc(=O)c2c(O)cc(O)cc2o1

BDBM50037402

Nc1ccc(cc1)-c1cc(=O)c2c(O)ccc(N)c2o1

BDBM50037409

Nc1ccc(cc1)-c1cc(=O)c2cc(N)c(O)c(N)c2o1

BDBM50037408

Nc1ccc(cc1)-c1cc(=O)c2cc(N)c(O)cc2o1

BDBM50037394

Nc1ccc(cc1)-c1cc(=O)c2cc(N)cc(N)c2o1

BDBM50037413

Nc1ccc(cc1)-c1cc(=O)c2cc(N)ccc2o1

BDBM50037406

Nc1ccc(cc1)-c1cc(=O)c2cc(O)cc(N)c2o1

BDBM50011418

Nc1ccc(cc1)-c1cc(=O)c2cc(O)ccc2o1

BDBM50037407

Nc1ccc(cc1)-c1cc(=O)c2ccc(O)c(N)c2o1

BDBM50011438

Nc1ccc(cc1)-c1cc(=O)c2ccc(O)cc2o1

BDBM50037410

Nc1ccc(cc1)-c1cc(=O)c2cccc(N)c2o1

BDBM50011437

Nc1ccc(cc1)-c1cc(=O)c2ccccc2o1

BDBM50037405

Nc1ccc(cc1)-c1cc(O)c2c(ccc(N)c2=O)o1

BDBM50292518

Nc1ccc(cc1)-c1cc(O)c2c(ccc(O)c2=O)o1

BDBM236557

Nc1ccc(cn1)-c1ccc2ncc3c(n(-c4cccc(c4)C(F)(F)F)c(=O)[nH]c3=O)c2n1

BDBM50071664

Nc1ccc2C(=O)\C(=C/c3cc(Br)c(O)c(Br)c3)C(=O)c2c1

BDBM50071667

Nc1ccc2C(=O)\C(=C/c3cc(Cl)c(O)c(Cl)c3)C(=O)c2c1

BDBM50071665

Nc1ccc2C(=O)\C(=C/c3ccc(O)c(O)c3)C(=O)c2c1

BDBM50071679

Nc1ccc2C(=O)\C(Cc2c1)=C\c1cc(Br)c(O)c(Br)c1

BDBM50071670

Nc1ccc2C\C(=C/c3cc(Br)c(O)c(Br)c3)C(=O)c2c1

BDBM50037393

Nc1cccc(c1)-c1cc(=O)c2c(N)c(O)c(N)cc2o1

BDBM50037397

Nc1cccc(c1)-c1cc(=O)c2cc(N)c(O)cc2o1

BDBM50037399

Nc1cccc(c1)-c1cc(=O)c2cc(N)ccc2o1

BDBM50241730

Nc1cccc(c1)-c1n[nH]c(NCc2c(F)cccc2Cl)n1

BDBM50071676

Nc1cccc2C(=O)\C(=C\c3cc(Br)c(O)c(Br)c3)C(=O)c12

BDBM50349878

Nc1n(nc2cc([nH]c(=O)c12)-c1ccccc1)-c1ccccc1

BDBM7463

Nc1n[nH]c2nnc(-c3ccccc3)c(-c3ccccc3)c12

BDBM25084

Nc1nc(N)c2nc(-c3cccc(O)c3)c(nc2n1)-c1cccc(O)c1

BDBM6866

Nc1nc(Nc2ccc(cc2)S(N)(=O)=O)nn1C(=O)c1c(F)cccc1F

BDBM50355491

Nc1nc(Nc2ccc(cc2)[C@H]2CC[C@@H](CC2)N2CCOCC2)nn1-c1ccccn1 |r,wU:11.11,wD:14.18,(-9.05,.18,;-7.58,.64,;-7.09,2.1,;-5.55,2.08,;-4.8,3.43,;-3.26,3.44,;-2.48,2.12,;-.94,2.14,;-.18,3.48,;-.98,4.81,;-2.52,4.79,;1.35,3.5,;2.1,4.85,;3.65,4.86,;4.44,3.53,;3.68,2.19,;2.14,2.18,;5.97,3.55,;6.75,2.22,;8.29,2.23,;9.05,3.57,;8.27,4.9,;6.73,4.89,;-5.09,.62,;-6.35,-.28,;-6.36,-1.81,;-5.04,-2.59,;-5.05,-4.13,;-6.39,-4.89,;-7.72,-4.11,;-7.71,-2.57,)|

BDBM50048357

Nc1nc2c3c(F)cccc3nc(Cc3ccc4OCOc4c3)n2n1

BDBM50048362

Nc1nc2c3ccc(N)cc3nc(Cc3ccc4OCOc4c3)n2n1

BDBM50048365

Nc1nc2c3ccc(NCCO)cc3nc(Cc3ccc4OCOc4c3)n2n1

BDBM50396528

Nc1ncc(-c2cccnc2)c2scc(-c3ccc4N(CCc4c3)C(=O)Cc3ccccc3)c12

BDBM50381716

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

BDBM50194670

Nc1ncc2cc(ccc2n1)-c1cc(ccc1Cl)C(=O)Nc1cccc(c1)C(F)(F)F

BDBM50194696

Nc1ncc2cc(ccc2n1)-c1ccc(F)c(c1)C(=O)Nc1cccc(c1)C(F)(F)F

BDBM50194692

Nc1ncc2cc(ccc2n1)-c1cccc(c1)C(=O)Nc1cccc(c1)C(F)(F)F

BDBM340140

Nc1nccn2c(CNC(=O)C=C)nc(-c3ccc(cc3)C(=O)Nc3ccccn3)c12

BDBM372321

Nc1nccn2c(nc(-c3ccc(C(=O)Nc4ccccn4)c(F)c3)c12)C1CCCN1C(=O)C=C

BDBM340125

Nc1nccn2c(nc(-c3ccc(C(=O)Nc4ccccn4)c(F)c3)c12)[C@@H]1CCCN1C(=O)C=C |r|

BDBM340104

Nc1nccn2c(nc(-c3ccc(C(=O)Nc4ccccn4)c(F)c3)c12)[C@@H]1CCCN1C(=O)c1ccnc(Cl)n1 |r|

BDBM340129

Nc1nccn2c(nc(-c3ccc(cc3)C(=O)Nc3cc(F)ccn3)c12)[C@@H]1CCCCN1C(=O)C=C |r|

BDBM340100

Nc1nccn2c(nc(-c3ccc(cc3)C(=O)Nc3cc(F)ccn3)c12)[C@@H]1CCCCN1C(=O)c1ccnc(Cl)n1 |r|

BDBM340151

Nc1nccn2c(nc(-c3ccc(cc3)C(=O)Nc3cc(F)ccn3)c12)[C@@H]1CCCN1C(=O)C=C |r|

BDBM340196

Nc1nccn2c(nc(-c3ccc(cc3)C(=O)Nc3cc(ccn3)-c3ccccc3)c12)[C@@H]1CCCN1C(=O)C=C |r|

BDBM340130

Nc1nccn2c(nc(-c3ccc(cc3)C(=O)Nc3cc(ccn3)C#N)c12)[C@@H]1CCCCN1C(=O)C=C |r|

BDBM340185

Nc1nccn2c(nc(-c3ccc(cc3)C(=O)Nc3cc(ccn3)C#N)c12)[C@@H]1CCCN1C(=O)C=C |r|

BDBM340176

Nc1nccn2c(nc(-c3ccc(cc3)C(=O)Nc3cc(ccn3)C(F)(F)F)c12)[C@@H]1CCCCN1C(=O)C=C |r|

BDBM340179

Nc1nccn2c(nc(-c3ccc(cc3)C(=O)Nc3cc(ccn3)C(F)(F)F)c12)[C@@H]1CCCCN1C(=O)c1ccnc(Cl)n1 |r|

BDBM340131

Nc1nccn2c(nc(-c3ccc(cc3)C(=O)Nc3cc(ccn3)C(F)(F)F)c12)[C@@H]1CCCCN1S(=O)(=O)C=C |r|

BDBM340160

Nc1nccn2c(nc(-c3ccc(cc3)C(=O)Nc3cc(ccn3)C(F)(F)F)c12)[C@@H]1CCCN1C(=O)C=C |r|

BDBM340117

Nc1nccn2c(nc(-c3ccc(cc3)C(=O)Nc3cc(ccn3)C(F)(F)F)c12)[C@@H]1CCCN1C(=O)c1ccnc(Cl)n1 |r|

BDBM255256

Nc1nccn2c(nc(-c3ccc(cc3)C(=O)Nc3cc(ccn3)C(F)(F)F)c12)[C@@H]1CC[C@H]2CCC(=O)N2C1 |r|

BDBM340152

Nc1nccn2c(nc(-c3ccc(cc3)C(=O)Nc3cc(ccn3)N3CCCC3)c12)[C@@H]1CCCN1C(=O)C=C |r|

BDBM340148

Nc1nccn2c(nc(-c3ccc(cc3)C(=O)Nc3ccccn3)c12)C1CCCCCN1C(=O)C=C

BDBM340155

Nc1nccn2c(nc(-c3ccc(cc3)C(=O)Nc3ccccn3)c12)[C@@H]1CCCCN1C(=O)C=C |r|

BDBM340146

Nc1nccn2c(nc(-c3ccc(cc3)C(=O)Nc3ccccn3)c12)[C@@H]1CCCN1C(=O)C#CC1CC1 |r|

BDBM340076

Nc1nccn2c(nc(-c3ccc(cc3)C(=O)Nc3ccccn3)c12)[C@@H]1CCCN1C(=O)C(=C)C(F)(F)F |r|

BDBM340118

Nc1nccn2c(nc(-c3ccc(cc3)C(=O)Nc3ccccn3)c12)[C@@H]1CCCN1C(=O)C=C |r|

BDBM340080

Nc1nccn2c(nc(-c3ccc(cc3)C(=O)Nc3ccccn3)c12)[C@@H]1CCCN1C(=O)\C=C\CC1CCCC1 |r|

BDBM372277

Nc1nccn2c(nc(-c3ccc(cc3)C(=O)Nc3ccccn3)c12)[C@@H]1CCCN1C(=O)\C=C\CN1CCCC1 |r|

BDBM340079

Nc1nccn2c(nc(-c3ccc(cc3)C(=O)Nc3ccccn3)c12)[C@@H]1CCCN1C(=O)\C=C\c1ccccc1 |r|

BDBM340144

Nc1nccn2c(nc(-c3ccc(cc3)C(=O)Nc3ccccn3)c12)[C@@H]1CCCN1C(=O)c1cc(Cl)ncn1 |r|

BDBM340082

Nc1nccn2c(nc(-c3ccc(cc3)C(=O)Nc3ccccn3)c12)[C@@H]1CCCN1C(=O)c1ccnc(Cl)n1 |r|

BDBM340078

Nc1nccn2c(nc(-c3ccc(cc3)C(=O)Nc3ccccn3)c12)[C@@H]1CCCN1CC#N |r|

BDBM340070

Nc1nccn2c(nc(-c3ccc(cc3)C(=O)Nc3cccnn3)c12)[C@@H]1CCCCN1C(=O)c1ccnc(Cl)n1 |r|

BDBM340098

Nc1nccn2c(nc(-c3ccc(cc3)C(=O)Nc3nc4CCCCc4s3)c12)[C@@H]1CCCN1C(=O)c1ccnc(Cl)n1 |r|

BDBM340132

Nc1nccn2c(nc(-c3ccc(cc3)C(=O)Nc3ncccn3)c12)[C@@H]1CCCCN1C(=O)C=C |r|

BDBM340075

Nc1nccn2c(nc(-c3ccc(cc3)C(=O)Nc3ncccn3)c12)[C@@H]1CCCCN1C(=O)c1ccnc(Cl)n1 |r|

BDBM340172

Nc1nccn2c(nc(-c3ccc(cc3)C(=O)Nc3nccs3)c12)[C@@H]1CCCN1C(=O)C=C |r|

BDBM50269558

Nc1nccn2c(nc(-c3ccc(cc3F)C(=O)Nc3cc(ccn3)C(F)(F)F)c12)[C@@H]1CCCN(C1)C1CCOCC1 |r|

BDBM50269555

Nc1nccn2c(nc(-c3ccc(cc3F)C(=O)Nc3cc(ccn3)C(F)(F)F)c12)[C@H]1CN(CCO1)C1CCOCC1 |r|

BDBM255370

Nc1nccn2c(nc(-c3ccc(cc3OC3CC3)C(=O)Nc3cc(ccn3)C(F)(F)F)c12)[C@@H]1CC[C@H]2CCC(=O)N2C1 |r|

BDBM50336316

Nc1nccn2c(nc(-c3ccc4ccc(nc4c3)-c3ccccc3)c12)[C@@H]1C[C@H](CN2CCC2)C1 |wU:26.30,28.33,(7.04,-25.52,;7.05,-27.06,;5.72,-27.83,;5.72,-29.37,;7.05,-30.15,;8.39,-29.37,;9.86,-29.85,;10.77,-28.6,;9.86,-27.34,;10.64,-26.02,;9.88,-24.69,;10.64,-23.36,;12.19,-23.36,;12.96,-22.02,;14.5,-22.04,;15.28,-23.37,;14.5,-24.71,;12.96,-24.7,;12.18,-26.03,;16.82,-23.38,;17.59,-24.72,;19.13,-24.72,;19.9,-23.38,;19.12,-22.05,;17.59,-22.05,;8.39,-27.82,;10.34,-31.32,;9.65,-32.69,;11.02,-33.38,;11.5,-34.85,;10.47,-35.99,;8.93,-36.07,;9.01,-37.61,;10.55,-37.53,;11.72,-32.01,)|

BDBM50092237

Nc1ncnc2n(C3CCCC3)c(Br)c(-c3ccc(Oc4ccccc4)cc3)c12

BDBM50092248

Nc1ncnc2n(C3CCCC3)c(C#N)c(-c3ccc(Oc4ccccc4)cc3)c12

BDBM50092246

Nc1ncnc2n(C3CCCC3)c(C(O)=O)c(-c3ccc(Oc4ccccc4)cc3)c12

BDBM50092253

Nc1ncnc2n(C3CCCC3)c(CN3CCOCC3)c(-c3ccc(Oc4ccccc4)cc3)c12

BDBM50092250

Nc1ncnc2n(C3CCCC3)c(CO)c(-c3ccc(Oc4ccccc4)cc3)c12

BDBM50092252

Nc1ncnc2n(C3CCCC3)c(Cl)c(-c3ccc(Oc4ccccc4)cc3)c12

BDBM50263836

Nc1ncnc2n(CC(=O)N(CCNC(=O)CCCNC(=O)[C@H](Cc3ccc(cc3)C(=O)c3ccccc3)NC(=O)CCCNC(=O)CCCC[C@@H]3SC[C@@H]4NC(=O)N[C@H]34)CC(=O)NCC(O)=O)cnc12 |r|

BDBM50263831

Nc1ncnc2n(CC(=O)N(CCNC(=O)CNC(=O)[C@H](Cc3ccc(cc3)C(=O)c3ccccc3)NC(=O)CCCNC(=O)CCCC[C@@H]3SC[C@@H]4NC(=O)N[C@H]34)CC(=O)NCC(O)=O)cnc12 |r|

BDBM50263833

Nc1ncnc2n(CC(=O)N(CCNC(=O)[C@@H](CCC(O)=O)NC(=O)[C@H](Cc3ccc(cc3)C(=O)c3ccccc3)NC(=O)CCCNC(=O)CCCC[C@@H]3SC[C@@H]4NC(=O)N[C@H]34)CC(=O)NCC(O)=O)cnc12 |r|

BDBM50263832

Nc1ncnc2n(CC(=O)N(CCNC(=O)[C@@H](CO)NC(=O)[C@H](Cc3ccc(cc3)C(=O)c3ccccc3)NC(=O)CCCNC(=O)CCCC[C@@H]3SC[C@@H]4NC(=O)N[C@H]34)CC(=O)NCC(O)=O)cnc12 |r|

BDBM50263835

Nc1ncnc2n(CC(=O)N(CCNC(=O)[C@H]3CCCCN3C(=O)[C@H](Cc3ccc(cc3)C(=O)c3ccccc3)NC(=O)CCCNC(=O)CCCC[C@@H]3SC[C@@H]4NC(=O)N[C@H]34)CC(=O)NCC(O)=O)cnc12 |r|

BDBM50263834

Nc1ncnc2n(CC(=O)N(CCNC(=O)[C@H]3CCCN3C(=O)[C@H](Cc3ccc(cc3)C(=O)c3ccccc3)NC(=O)CCCNC(=O)CCCC[C@@H]3SC[C@@H]4NC(=O)N[C@H]34)CC(=O)NCC(O)=O)cnc12 |r|

BDBM370383

Nc1ncnc2n(CC3CCCC3)nc(C(=O)Nc3cc(Br)[nH]n3)c12

BDBM50558812

Nc1ncnc2n(CC3CCN(CC3)C(=O)C=C)cc(-c3ccc4OCOc4c3)c12

BDBM191606

Nc1ncnc2n(CCNC(=O)C=C)nc(-c3ccc(Oc4ccccc4)cc3)c12

BDBM50114586

Nc1ncnc2n(CCO)cc(-c3ccc(Oc4ccccc4)cc3)c12

BDBM191605

Nc1ncnc2n(C[C@@H]3CCCN3C(=O)C=C)nc(-c3ccc(Oc4ccccc4)cc3)c12 |r|

BDBM191625

Nc1ncnc2n(C[C@@H]3CCCN3C(=O)\C=C\CN3CCOCC3)nc(-c3ccc(Oc4ccccc4)cc3)c12 |r|

BDBM473175

Nc1ncnc2n(C[C@@H]3SSC[C@@H]3O)nc(-c3ccc(Oc4ccccc4)cc3)c12 |r|

BDBM473174

Nc1ncnc2n(C[C@@H]3SSC[C@H]3O)nc(-c3ccc(Oc4ccccc4)cc3)c12 |r|

BDBM191617

Nc1ncnc2n(C[C@H]3CCCN3C(=O)C=C)nc(-c3ccc(Oc4ccccc4)cc3)c12 |r|

BDBM50511997

Nc1ncnc2n(C[C@H]3CCCN3C[C@@H]3CO3)cc(-c3ccc(Oc4ccccc4)cc3)c12 |r|

BDBM50269615

Nc1ncnc2n(C[C@H]3CCCN3S(=O)(=O)C=C)cc(-c3ccc4OCOc4c3)c12 |r|

BDBM473171

Nc1ncnc2n(C[C@H]3SSC[C@@H]3O)nc(-c3ccc(Oc4ccccc4)cc3)c12 |r|

BDBM473172

Nc1ncnc2n(C[C@H]3SSC[C@H]3O)nc(-c3ccc(Oc4ccccc4)cc3)c12 |r|

BDBM50092226

Nc1ncnc2n(cc(-c3ccc(Oc4ccccc4)cc3)c12)C1CC(O)C(O)C1

BDBM50092224

Nc1ncnc2n(cc(-c3ccc(Oc4ccccc4)cc3)c12)C1CCC(O)C1

BDBM50092228

Nc1ncnc2n(cc(-c3ccc(Oc4ccccc4)cc3)c12)C1CCCC1

BDBM50092232

Nc1ncnc2n(cc(-c3ccc(Oc4ccccc4)cc3)c12)C1CCCC1O

BDBM50114588

Nc1ncnc2n(cc(-c3ccc(Oc4ccccc4)cc3)c12)C1CCNC1

BDBM50114587

Nc1ncnc2n(cc(-c3ccc(Oc4ccccc4)cc3)c12)C1CCNCC1

BDBM50114591

Nc1ncnc2n(cc(-c3ccc(Oc4ccccc4)cc3)c12)C1CCOC1

BDBM50114590

Nc1ncnc2n(cc(-c3ccc(Oc4ccccc4)cc3)c12)C1CCOCC1

BDBM50114582

Nc1ncnc2n(cc(-c3ccc(Oc4ccccc4)cc3)c12)C1CNOC1

BDBM50114583

Nc1ncnc2n(cc(-c3ccc(Oc4ccccc4)cc3)c12)[C@@H]1CC[C@@H](CC1)N1CCCCC1 |wU:26.33,23.26,(-1.51,4.17,;-1.51,2.63,;-2.84,1.87,;-2.85,.33,;-1.52,-.44,;-.19,.33,;1.28,-.16,;2.19,1.09,;1.28,2.33,;1.77,3.8,;3.27,4.1,;3.74,5.57,;2.73,6.71,;3.22,8.17,;4.72,8.48,;5.19,9.94,;6.7,10.27,;7.73,9.11,;7.26,7.64,;5.74,7.34,;1.22,6.39,;.75,4.94,;-.18,1.87,;1.75,-1.62,;.71,-2.78,;1.17,-4.25,;2.68,-4.56,;3.71,-3.41,;3.24,-1.96,;3.15,-6.02,;4.67,-6.33,;5.13,-7.8,;4.09,-8.94,;2.59,-8.62,;2.12,-7.16,)|

BDBM50114589

Nc1ncnc2n(cc(-c3ccc(Oc4ccccc4)cc3)c12)[C@H]1CC[C@@H](CC1)N1CCCCC1 |wU:23.26,wD:26.33,(.15,4.38,;.15,2.84,;-1.21,2.08,;-1.21,.55,;.12,-.23,;1.45,.54,;2.92,.06,;3.83,1.3,;2.92,2.54,;3.41,4.01,;4.93,4.31,;5.4,5.78,;4.37,6.92,;4.86,8.38,;6.38,8.69,;6.84,10.16,;8.34,10.46,;9.39,9.32,;8.9,7.86,;7.38,7.54,;2.88,6.62,;2.39,5.15,;1.48,2.08,;3.39,-1.41,;4.88,-1.73,;5.35,-3.2,;4.32,-4.35,;2.83,-4.02,;2.36,-2.55,;4.79,-5.81,;6.31,-6.12,;6.77,-7.59,;5.75,-8.73,;4.23,-8.41,;3.76,-6.94,)|

BDBM50092234

Nc1ncnc2n(cc(-c3ccc(Oc4ccccc4O)cc3)c12)C1CCCC1

BDBM50097956

Nc1ncnc2n(cc(-c3cccc(O)c3)c12)C1CCCC1

BDBM50097967

Nc1ncnc2n(cc(-c3cccc(O)c3)c12)C1CCN(CCO)CC1

BDBM50157880

Nc1ncnc2n(cc(-c3cccc(O)c3)c12)[C@@H]1C[C@H](CN2CCC2)C1 |r,wD:17.19,19.22,(-1.03,2.79,;-1.03,1.55,;-2.38,.77,;-2.38,-.77,;-1.03,-1.55,;.3,-.77,;1.76,-1.24,;2.66,.02,;1.76,1.24,;2.23,2.7,;3.76,2.91,;4.33,4.34,;3.38,5.56,;1.86,5.34,;1.1,6.31,;1.29,3.91,;.3,.77,;2.24,-2.7,;3.54,-3.45,;2.74,-4.76,;3.1,-6.25,;4.58,-6.69,;5.27,-8.02,;6.62,-7.28,;5.88,-5.93,;1.42,-3.96,)|

BDBM50575343

Nc1ncnc2n(cc(-c3cccc(O)c3)c12)[C@@H]1C[C@H](CO)C1 |r,wU:17.19,19.22,(11.65,-9.07,;11.66,-10.61,;12.99,-11.37,;13,-12.92,;11.66,-13.69,;10.32,-12.92,;8.86,-13.4,;7.95,-12.16,;8.85,-10.91,;8.37,-9.46,;6.87,-9.15,;6.38,-7.69,;7.41,-6.53,;8.92,-6.85,;9.95,-5.7,;9.4,-8.31,;10.32,-11.38,;8.4,-14.88,;7.03,-15.58,;7.73,-16.95,;7.26,-18.42,;8.3,-19.56,;9.1,-16.25,)|

BDBM50158429

Nc1ncnc2n(cc(-c3cccc(OCC45CCC(CC4)O5)c3)c12)[C@@H]1C[C@H](CN2CCC2)C1 |r,wD:25.29,27.32,(-1.03,2.79,;-1.03,1.55,;-2.38,.77,;-2.38,-.77,;-1.03,-1.55,;.3,-.77,;1.76,-1.24,;2.66,.02,;1.76,1.24,;2.23,2.7,;3.76,2.92,;4.34,4.35,;3.39,5.56,;1.86,5.34,;.91,6.56,;1.49,7.99,;.54,9.2,;-.78,8.6,;-1.87,9.66,;-1.5,11.15,;-.02,11.55,;1.07,10.5,;-.08,10.34,;1.29,3.91,;.3,.77,;2.24,-2.7,;3.54,-3.45,;2.74,-4.76,;3.1,-6.26,;4.58,-6.69,;5.27,-8.03,;6.62,-7.29,;5.88,-5.94,;1.42,-3.96,)|

BDBM50157881

Nc1ncnc2n(cc(-c3cccc(OC[C@@H]4CCCO4)c3)c12)[C@@H]1C[C@H](CN2CCC2)C1 |r,wD:23.26,16.15,25.29,(-1.03,2.79,;-1.03,1.55,;-2.38,.77,;-2.38,-.77,;-1.03,-1.55,;.3,-.77,;1.76,-1.24,;2.66,.02,;1.76,1.24,;2.23,2.7,;3.76,2.91,;4.33,4.34,;3.38,5.55,;1.86,5.34,;.91,6.55,;1.49,7.98,;.54,9.2,;-.98,9.12,;-1.51,10.57,;-.3,11.52,;.98,10.66,;1.29,3.91,;.3,.77,;2.24,-2.7,;3.54,-3.45,;2.74,-4.76,;3.1,-6.25,;4.58,-6.69,;5.27,-8.02,;6.62,-7.28,;5.88,-5.93,;1.42,-3.96,)|

BDBM50092227

Nc1ncnc2n(cc(-c3cccc(Oc4ccccc4)c3)c12)C1CCCC1

BDBM50092230

Nc1ncnc2n(cc(-c3ccccc3Oc3ccccc3)c12)C1CCCC1

BDBM50611363

Nc1ncnc2n(nc(-c3ccc(Cl)cc3)c12)-c1cccc(c1)-c1cnnn1Cc1cccc(c1)-c1ccccc1

BDBM1773

Nc1ncnc2n(nc(-c3ccc(Oc4ccccc4)cc3)c12)C1CCCN(C1)C(=O)C=C

BDBM191624

Nc1ncnc2n(nc(-c3ccc(Oc4ccccc4)cc3)c12)C1CCN(CC1)C(=O)\C=C\CN1CCOCC1

BDBM50357312

Nc1ncnc2n(nc(-c3ccc(Oc4ccccc4)cc3)c12)[C@@H]1CCCN(C1)C(=O)C=C

BDBM191628

Nc1ncnc2n(nc(-c3ccc(Oc4ccccc4)cc3)c12)[C@@H]1CCCN(C1)C(=O)\C=C\CN1CCOCC1 |r|

BDBM97672

Nc1ncnc2n(nc(-c3ccc(Oc4ccccc4)cc3)c12)[C@@H]1CC[C@@H](CC1)NC(=O)C=C |r,wU:23.26,26.33,(-3.76,2.88,;-3.76,1.34,;-5.09,.57,;-5.09,-.97,;-3.76,-1.74,;-2.43,-.97,;-.96,-1.45,;-.06,-.2,;-.96,1.05,;-.56,2.53,;.92,2.93,;1.32,4.42,;.23,5.51,;.63,7,;2.12,7.4,;3.21,6.31,;4.7,6.7,;5.09,8.19,;4.01,9.28,;2.52,8.88,;-1.25,5.11,;-1.65,3.62,;-2.43,.57,;-.56,-2.93,;-1.65,-4.02,;-1.25,-5.51,;.23,-5.91,;1.32,-4.82,;.92,-3.33,;.63,-7.4,;2.12,-7.79,;2.52,-9.28,;3.21,-6.7,;4.7,-7.1,)|

BDBM191629

Nc1ncnc2n(nc(-c3ccc(Oc4ccccc4)cc3)c12)[C@@H]1CC[C@@H](CC1)NC(=O)\C=C\CN1CCOCC1 |r,wU:23.26,26.33,(-9.32,6.4,;-8.92,4.92,;-10.01,3.83,;-9.61,2.34,;-8.12,1.94,;-7.03,3.03,;-5.49,2.95,;-4.94,4.39,;-6.14,5.36,;-6.14,6.9,;-4.8,7.67,;-4.8,9.21,;-6.14,9.98,;-6.14,11.52,;-4.8,12.29,;-3.47,11.52,;-2.14,12.29,;-2.14,13.83,;-3.47,14.6,;-4.8,13.83,;-7.47,9.21,;-7.47,7.67,;-7.43,4.52,;-4.72,1.62,;-5.49,.28,;-4.72,-1.05,;-3.18,-1.05,;-2.41,.28,;-3.18,1.62,;-2.41,-2.39,;-.87,-2.39,;-.1,-3.72,;-.1,-1.05,;1.44,-1.05,;2.21,.28,;3.75,.28,;4.52,1.62,;6.06,1.62,;6.83,.28,;6.06,-1.05,;4.52,-1.05,)|

BDBM1774

Nc1ncnc2n(nc(-c3ccc(Oc4ccccc4)cc3)c12)[C@H]1CCCN(C1)C(=O)C=C

BDBM191614

Nc1ncnc2n(nc(-c3ccc(Oc4ccccc4)cc3)c12)[C@H]1CC[C@@H](CC1)NC(=O)C=C |r,wU:23.26,wD:26.33,(-8.87,3.22,;-8.1,1.89,;-8.87,.55,;-8.1,-.78,;-6.56,-.78,;-5.79,.55,;-4.28,.87,;-4.12,2.4,;-5.53,3.03,;-5.93,4.52,;-4.84,5.61,;-5.24,7.1,;-6.72,7.49,;-7.12,8.98,;-6.03,10.07,;-4.55,9.67,;-3.46,10.76,;-3.86,12.25,;-5.34,12.65,;-6.43,11.56,;-7.81,6.4,;-7.41,4.92,;-6.56,1.89,;-2.95,.1,;-1.62,.87,;-.28,.1,;-.28,-1.44,;-1.62,-2.21,;-2.95,-1.44,;1.05,-2.21,;2.39,-1.44,;2.39,.1,;3.72,-2.21,;5.05,-1.44,)|

BDBM50396529

Nc1ncnc2scc(-c3ccc(NC(=O)Cc4cc(F)ccc4F)cc3)c12

BDBM50389241

Nc1ncnn2ccc(C(=O)Nc3ccc(NC(=O)Nc4cccc(F)c4)cc3)c12

BDBM50545635

O=C(C1CCCCC1)c1ncnc2[nH]ccc12

BDBM50545648

O=C(CC#N)N1CC2CCN(C2C1)c1ncnc2[nH]ccc12

BDBM109865

O=C(CC#N)N1CCC11CCCN(C1)c1ncnc2[nH]ccc12

BDBM50545649

O=C(CC#N)N1CCC2(CCN(C2)c2ncnc3[nH]ccc23)C1

BDBM50545646

O=C(CC#N)N1CCC2CN(CC12)c1ncnc2[nH]ccc12

BDBM109869

O=C(CC#N)N1CCCC11CCCN(C1)c1ncnc2[nH]ccc12

BDBM109941

O=C(CC#N)N1CCCC11CCN(C1)c1ncnc2[nH]ccc12

BDBM50545647

O=C(CC#N)N1CCCC2CN(CC12)c1ncnc2[nH]ccc12

BDBM109935

O=C(CC#N)N1CCCCC11CCCN(C1)c1ncnc2[nH]ccc12

BDBM109931

O=C(CC#N)N1CCCCC11CCN(C1)c1ncnc2[nH]ccc12

BDBM109929

O=C(CC#N)N1CCCCCC11CCCN(C1)c1ncnc2[nH]ccc12

BDBM50463483

O=C(Cc1cccc(OCCCC2CCNCC2)c1)Nc1nc(cs1)-c1c[nH]c2ncccc12

BDBM50462710

O=C(Cc1cccc(OCCCC2CCNCC2)c1)Nc1nc(cs1)-c1ccncc1

BDBM50462709

O=C(Cc1cccc(OCCCN2CCNCC2)c1)Nc1nc(cs1)-c1ccncc1

BDBM50315893

O=C(Cc1ccccc1)Nc1cccc(c1)-c1nc2sccn2c1-c1ccnc(Nc2ccc(cc2)N2CCOCC2)n1

BDBM50315888

O=C(Cc1ccccc1)Nc1cccc(c1)-c1nc2sccn2c1-c1ccnc(Nc2cccc(c2)N2CCOCC2)n1

BDBM50301590

O=C(N1CCCC(CNc2nccc(n2)-n2cnc3ccccc23)C1)c1ccc2ccccc2c1

BDBM50204584

O=C(N1CCCCC1)c1ccc(cc1)-c1oc2ncnc(NCCN3CCNCC3)c2c1-c1ccccc1

BDBM50301592

O=C(N1CCNC(CNc2nccc(n2)-n2cnc3ccccc23)C1)c1ccc2ccccc2c1

BDBM50355496

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

BDBM50301591

O=C(N1CCOC(CNc2nccc(n2)-n2cnc3ccccc23)C1)c1ccc2ccccc2c1

BDBM50252780

O=C(NC1CC1)c1cccc(c1)-c1ccc2c(nncc2c1)N1CCOCC1

BDBM109907

O=C(NCC#N)N1CCCC11CCCN(C1)c1ncnc2[nH]ccc12

BDBM50327912

O=C(N[C@H](CN1CCCC1)c1ccccc1)c1cc2n[nH]c(NC(=O)c3ccc(cc3)N3CCOCC3)c2s1 |r|

BDBM50613392

O=C(Nc1cc(ccn1)C(=O)Nc1cnccc1-c1ccccc1)C1CC1

BDBM50393544

O=C(Nc1ccc(cc1C1=CCCCC1)C1CCN(CCN2CCOCC2)CC1)c1ncc([nH]1)C#N |t:10|

BDBM50301589

O=C(Nc1cccc2ccccc12)N1CCC(CNc2nccc(n2)-n2cnc3ccccc23)C1

BDBM6619

O=C(Nc1ccccn1)Nc1cccc2C(=O)N3CCC[C@@H]3c12 |r|

BDBM50279877

O=C(Nc1ccncc1)c1cccnc1

BDBM50279886

O=C(Nc1ccncc1)c1ccncc1

BDBM50301579

O=C(OCc1ccccc1)N1CCC(CNc2nccc(n2)-n2cnc3ccccc23)CC1

BDBM50301578

O=C(OCc1ccccc1)N1CCCC(CNc2nccc(n2)-n2cnc3ccccc23)C1

BDBM50301577

O=C(OCc1ccccc1)N1CCCCC1CNc1nccc(n1)-n1cnc2ccccc12

BDBM50106766

O=C1N(CCN(CCCN(CCCN(CCC#N)CCC#N)CCCN(CCC#N)CCC#N)CCCN(CCCN(CCC#N)CCC#N)CCCN(CCC#N)CCC#N)C(=O)C(=C1c1ccccc1)c1ccccc1 |c:64|

BDBM50106764

O=C1N(CCN(CCCN(CCCN(CCC#N)CCC#N)CCCN(CCC#N)CCC#N)CCCN(CCCN(CCC#N)CCC#N)CCCN(CCC#N)CCC#N)C(=O)c2cccc3cccc1c23

BDBM27344

O=C1NCCc2[nH]c(cc12)-c1ccncc1

BDBM7393

O=Nc1c([nH]c2ccccc12)C1C(=O)Nc2ccccc12

BDBM50329879

O=c1ccc(c[nH]1)-c1cnn2cc(cnc12)-c1ccc(OCCN2CCOCC2)cc1

BDBM50499634

OC(=O)C1CN(Cc2ccc(OCc3ccc(Cl)c(Cl)c3)cc2)C1

BDBM50092082

OC(=O)CN1CCN(CC1)c1cc(ccn1)-c1cnc2ccc(nn12)N1CCC[C@@H]1c1cccc(F)c1 |r|

BDBM50016603

OC(=O)CNC(=O)c1ccc(cc1)[N+]([O-])=O

BDBM50022182

OC(=O)Cc1cc(=O)oc2cc(O)ccc12

BDBM16419

OC(=O)Cc1ccccc1

BDBM50133493

OC(=O)[C@@H](Cc1ccc(O)c(O)c1)NC(=O)\C=C\c1ccc(O)c(O)c1

BDBM50133496

OC(=O)[C@@H](Cc1ccc(O)c(O)c1)OC(=O)\C=C\c1ccc(O)c(O)c1 |r|

BDBM50414250

OC(=O)[C@@H](Cc1ccc(O)c(O)c1)OC(=O)\C=C\c1ccc(O)c(O)c1\C=C\c1ccc(O)c(O)c1 |r|

BDBM50011436

OC(=O)c1c([O-])c2c(cc(O)cc2=[OH+])oc1-c1ccc(cc1)[N+]([O-])=O

BDBM50011450

OC(=O)c1c(oc2ccccc2c1=O)-c1ccc(Br)cc1

BDBM50011458

OC(=O)c1c(oc2ccccc2c1=O)-c1ccc(O)cc1

BDBM50011440

OC(=O)c1c(oc2ccccc2c1=O)-c1ccc(cc1)[N+]([O-])=O

BDBM50255049

OC(=O)c1cc(C=NNC(=O)CS(=O)(=O)c2ccc(Cl)cc2)c(F)c(F)c1Nc1ccc(I)cc1F |w:6.5|

BDBM50038203

OC(=O)c1cc(CCc2cc(O)ccc2O)ccc1O

BDBM50040296

OC(=O)c1cc(CCc2ccc(O)c(O)c2)ccc1O

BDBM50038199

OC(=O)c1cc(NCc2cc(O)ccc2O)ccc1O

BDBM50040294

OC(=O)c1cc(\C=C\c2cc(O)ccc2O)ccc1O

BDBM50080275

OC(=O)c1cc(cc(c1)C(O)=O)C(O)=O

BDBM50472532

OC(=O)c1cc(cc(c1)S(O)(=O)=O)C(O)=O

BDBM50046063

OC(=O)c1cc(ccc1O)-c1ccc2c(O)c(O)ccc2c1

BDBM50046060

OC(=O)c1cc(ccc1O)-c1ccc2c(O)ccc(O)c2c1

BDBM50046061

OC(=O)c1cc(ccc1O)-c1ccc2cc(O)c(O)cc2c1

BDBM50046062

OC(=O)c1cc(ccc1O)-c1ccc2ccccc2c1

BDBM50038202

OC(=O)c1cc(ccc1O)N(Cc1ccccc1O)Cc1cc(O)ccc1O

BDBM50040295

OC(=O)c1cc(ccc1O)\N=C\c1cc(O)ccc1O

BDBM31093

OC(=O)c1ccc(Nc2ncc3CN=C(c4cc(Cl)ccc4-c3n2)c2c(F)cccc2F)cc1 |c:13|

BDBM50149285

OC(=O)c1cccc(c1)-c1ccc(\C=C2\SC(=N)N(C2=O)c2ccc(F)cc2)o1

BDBM50080270

OC(=O)c1ccccc1C(=O)n1ccnc1

BDBM50080272

OC(=O)c1ccccc1C(O)=O

BDBM50074328

OC(=O)c1ccsc1

BDBM50414249

OC(C(OC(=O)\C=C\c1ccc(O)c(O)c1)C(O)=O)C(O)=O

BDBM50414251

OC(OC(Cc1ccc(O)c(O)c1)C(O)=O)C1C(Oc2cc(O)cc(\C=C\C(=O)OC(Cc3ccc(O)c(O)c3)C(O)=O)c12)c1ccc(O)c(O)c1

BDBM50092081

OC1CCN(CC1)c1cc(ccn1)-c1cnc2ccc(nn12)N1CCC[C@@H]1c1cccc(F)c1 |r|

BDBM109900

OCC(=O)N1CCCC11CCCN(C1)c1ncnc2[nH]ccc12

BDBM50048364

OCCCNc1ccc2c3ncnn3c(nc2c1)-c1ccc2OCOc2c1

BDBM50432373

OCCNC(=O)C1=Cc2c(Nc3ccc(Oc4cccc5sccc45)c(Cl)c3)ncnc2NCC1 |t:6|

BDBM25628

OCCn1cc(c(n1)-c1ccncc1)-c1ccc2C(CCc2c1)N=O

BDBM50610910

OC[C@@H]1CCC(CO1)Nc1ncnc2[nH]cc(C(=O)c3ccc(Oc4ccccc4)cc3Cl)c12 |r|

BDBM50255048

OCc1ccc(o1)C(=O)NN=Cc1cc(C(O)=O)c(Nc2ccc(I)cc2F)c(F)c1F |w:11.12|

BDBM50213358

OCc1cccc(NC(=O)c2cc3ccc(O)c(O)c3oc2=N)c1

BDBM50213366

OCc1ccccc1NC(=O)c1cc2ccc(O)c(O)c2oc1=N

BDBM50080269

OP(O)(=O)Cc1cccc2ccccc12

BDBM50080274

OP(O)(=O)Cc1ccccc1

BDBM50080266

OP(O)(=O)Oc1cccc2ccccc12

BDBM14675

OP(O)(=O)Oc1ccccc1

BDBM50080271

OP(O)(=O)c1cccc2ccccc12

BDBM50295809

O[C@@H]1Cn2c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n(C[C@@H]1O)c4c23 |r|

BDBM50341377

O[C@H]1CC[C@@H](CC1)Nc1ncc2CN(C(=O)Nc2n1)c1ccccc1Cl |r,wU:1.0,wD:4.7,(-8.97,.99,;-7.64,.22,;-6.31,.99,;-4.97,.22,;-4.97,-1.32,;-6.31,-2.09,;-7.64,-1.32,;-3.64,-2.09,;-2.3,-1.32,;-2.3,.22,;-.97,.99,;.36,.22,;1.7,.99,;3.03,.22,;3.03,-1.32,;4.36,-2.09,;1.7,-2.09,;.36,-1.32,;-.97,-2.09,;4.36,.99,;4.36,2.53,;5.7,3.3,;7.03,2.53,;7.03,.99,;5.7,.22,;5.7,-1.32,)|

BDBM50166289

O\N=C1\C(\Nc2ccccc\12)=C1\C(=O)Nc2ccccc12

BDBM50282841

Oc1c(Br)cc(CC(C#N)c2ccccn2)cc1Br

BDBM50282840

Oc1c(Br)cc(\C=C(/C#N)c2ccccn2)cc1Br

BDBM50282838

Oc1c(Br)cc(\C=C(/C#N)c2cccnc2)cc1Br

BDBM50071678

Oc1c(Br)cc(\C=C2/C(=O)c3ccc(Br)cc3C2=O)cc1Br

BDBM50071672

Oc1c(Br)cc(\C=C2/C(=O)c3ccc(cc3C2=O)[N+]([O-])=O)cc1Br

BDBM50149287

Oc1c(Br)cc(cc1\C=C\c1ccc2cccc(O)c2n1)[N+]([O-])=O

BDBM50071675

Oc1c(Cl)cc(\C=C2\C(=O)c3cccc(c3C2=O)[N+]([O-])=O)cc1Cl

BDBM50037418

Oc1c(cc2oc(cc(=O)c2c1[N+]([O-])=O)-c1ccc(cc1)[N+]([O-])=O)[N+]([O-])=O

BDBM50279897

Oc1cc(CN=Nc2ccccn2)cc(O)c1O |w:6.6|

BDBM50267255

Oc1cc(CNC=C2C(=O)NC(=O)c3ccc(I)cc23)ccc1-c1ccoc1 |w:6.5|

BDBM7460

Oc1cc(O)c2c(c1)oc(-c1ccc(O)c(O)c1)c(O)c2=O

BDBM50049391

Oc1cc(O)c2c(c1)oc(-c1ccccc1)c(O)c2=O

BDBM7459

Oc1cc(O)c2c(c1)oc(cc2=O)-c1ccc(O)c(O)c1

BDBM50011417

Oc1cc(O)c2c(c1)oc(cc2=O)-c1ccc(cc1)[N+]([O-])=O

BDBM7461

Oc1cc(O)c2c(c1)oc(cc2=O)-c1ccccc1

BDBM50045923

Oc1cc(O)cc(CCc2cc(O)cc(O)c2)c1

BDBM50045930

Oc1cc(O)cc(CCc2ccc(O)c(O)c2)c1

BDBM50045933

Oc1cc(O)cc(\C=C\c2cc(O)cc(O)c2)c1

BDBM50045936

Oc1cc(O)cc(\C=C\c2ccc(O)c(O)c2)c1

BDBM50045924

Oc1cc(O)cc(\C=C\c2ccccc2)c1

BDBM50025588

Oc1cc(O)cc(c1)-c1oc2cc(O)cc(O)c2c(=O)c1O

BDBM50037403

Oc1cc([N+]([O-])=O)c2oc(cc(=O)c2c1)-c1ccc(cc1)[N+]([O-])=O

BDBM50039651

Oc1cc2cc(cnc2cc1O)-c1ccncc1

BDBM50029201

Oc1cc2cnc(cc2cc1O)C(=O)NCc1ccccc1

BDBM50280318

Oc1cc2cnc(cc2cc1O)C(=O)Nc1ccccc1

BDBM50279908

Oc1ccc(Br)cc1CN=Nc1ccc(Br)cc1 |w:10.11|

BDBM50279901

Oc1ccc(Br)cc1CN=Nc1ccccc1 |w:10.11|

BDBM50279925

Oc1ccc(CN=Nc2ccc(Br)cc2)c(O)c1 |w:7.7|

BDBM50279917

Oc1ccc(CN=Nc2ccc(Br)cc2)c(O)c1O |w:7.7|

BDBM50279911

Oc1ccc(CN=Nc2ccc(Br)cc2)cc1O |w:7.7|

BDBM50279902

Oc1ccc(CN=Nc2ccccc2)c(O)c1 |w:7.7|

BDBM50279899

Oc1ccc(CN=Nc2ccccc2)c(O)c1O |w:7.7|

BDBM50279912

Oc1ccc(CN=Nc2ccccc2)cc1O |w:7.7|

BDBM50279896

Oc1ccc(CN=Nc2ccccn2)c(O)c1 |w:7.7|

BDBM50279926

Oc1ccc(CN=Nc2ccccn2)c(O)c1O |w:7.7|

BDBM50279909

Oc1ccc(CN=Nc2ccccn2)cc1O |w:7.7|

BDBM50213357

Oc1ccc(NC(=O)c2cc3c(O)cc(O)cc3oc2=N)cc1

BDBM50213363

Oc1ccc(NC(=O)c2cc3cc(O)ccc3oc2=N)cc1

BDBM50213369

Oc1ccc(NC(=O)c2cc3ccc(O)c(O)c3oc2=N)cc1

BDBM50213423

Oc1ccc(NC(=O)c2cc3ccc(O)cc3oc2=N)cc1

BDBM50213408

Oc1ccc(NC(=O)c2cc3cccc(O)c3oc2=N)cc1

BDBM50213359

Oc1ccc(NC(=O)c2cc3ccccc3oc2=N)cc1

BDBM50279916

Oc1ccc(O)c(CN=Nc2ccccc2)c1 |w:9.9|

BDBM50279920

Oc1ccc([CH-]\N=[NH+]/c2ccc(cc2[N+]([O-])=O)[N+]([O-])=O)c(O)c1

BDBM50279914

Oc1ccc([CH-]\N=[NH+]/c2ccc(cc2[N+]([O-])=O)[N+]([O-])=O)c(O)c1O

BDBM50279919

Oc1ccc([CH-]\N=[NH+]/c2ccc(cc2[N+]([O-])=O)[N+]([O-])=O)cc1O

BDBM50071674

Oc1ccc(\C=C2\C(=O)c3ccc(cc3C2=O)[N+]([O-])=O)cc1O

BDBM50071683

Oc1ccc(\C=C2\C(=O)c3cccc(c3C2=O)[N+]([O-])=O)cc1O

BDBM23926

Oc1ccc(\C=C\c2cc(O)cc(O)c2)cc1

BDBM50045921

Oc1ccc(\C=C\c2ccc(O)c(O)c2)cc1

BDBM50045929

Oc1ccc(\C=C\c2ccc(O)c(O)c2)cc1O

BDBM50045934

Oc1ccc(\C=C\c2ccccc2)cc1O

BDBM50279895

Oc1ccc(\C=C\c2cccnc2)cc1O

BDBM7458

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

BDBM50025457

Oc1ccc(cc1)-c1cc(=O)c2c(O)cccc2o1

BDBM76563

Oc1ccc(cc1)-c1cc(=O)c2cc(O)ccc2o1

BDBM50077323

Oc1ccc(cc1)-c1cc(=O)c2ccc(O)cc2o1

BDBM50011446

Oc1ccc(cc1)-c1cc(=O)c2ccccc2o1

BDBM13531

Oc1ccc(cc1)-c1nc(c([nH]1)-c1ccc(F)cc1)-c1ccncc1

BDBM50329885

Oc1ccc(cc1O)-c1cnn2cc(cnc12)-c1ccc(OCCN2CCOCC2)cc1

BDBM50025601

Oc1ccc2C(=O)c3ccccc3C(=O)c2c1

BDBM50086194

Oc1ccc2c(CC(=O)NC(Cc3ccc(OP(O)(O)=O)cc3)C(=O)NCCCNC(=O)c3c4ccccc4nc4cc(O)cc(O)c34)cc(=O)oc2c1

BDBM7457

Oc1ccc2c(c1)oc(-c1ccc(O)c(O)c1)c(O)c2=O

BDBM50025586

Oc1ccc2c(c1)oc(cc2=O)-c1ccc(OCc2ccccc2)cc1

BDBM50011427

Oc1ccc2c(c1)oc(cc2=O)-c1ccc(cc1)[N+]([O-])=O

BDBM26664

Oc1ccc2c(c1)oc(cc2=O)-c1ccccc1

BDBM50093539

Oc1ccc2c(oc(cc2=O)-c2ccccc2)c1O

BDBM50213409

Oc1ccc2cc(C(=O)Nc3ccccc3)c(=N)oc2c1O

BDBM50213364

Oc1ccc2cc(C(=O)Nc3ccccc3O)c(=N)oc2c1O

BDBM50029221

Oc1ccc2cc(ncc2c1O)C(=O)NCCc1ccccc1

BDBM50029199

Oc1ccc2cc(ncc2c1O)C(=O)NCc1ccccc1

BDBM50280317

Oc1ccc2cc(ncc2c1O)C(=O)Nc1ccccc1

BDBM50011442

Oc1ccc2oc(cc(=O)c2c1)-c1ccc(cc1)[N+]([O-])=O

BDBM50279921

Oc1cccc(CN=Nc2ccccc2)c1O |w:8.8|

BDBM50213361

Oc1cccc(NC(=O)c2cc3c(O)cc(O)cc3oc2=N)c1

BDBM50213413

Oc1cccc(NC(=O)c2cc3cc(O)ccc3oc2=N)c1

BDBM50213360

Oc1cccc(NC(=O)c2cc3ccc(O)c(O)c3oc2=N)c1

BDBM50213422

Oc1cccc(NC(=O)c2cc3ccc(O)cc3oc2=N)c1

BDBM50213370

Oc1cccc(NC(=O)c2cc3cccc(O)c3oc2=N)c1

BDBM50430875

Oc1cccc(Nc2ccnc3cc(sc23)-c2cccc(CN3CCOCC3)c2)c1

BDBM50529757

Oc1cccc(Nc2nc(\C=C\c3cc4OCOc4cc3Br)nc3ccccc23)c1

BDBM50529758

Oc1cccc(Nc2nc(\C=C\c3cccc(c3)[N+]([O-])=O)nc3ccccc23)c1

BDBM50195333

Oc1cccc(Nc2nccc(n2)-n2cnc3ccccc23)c1

BDBM50279918

Oc1cccc([CH-]\N=[NH+]/c2ccc(cc2[N+]([O-])=O)[N+]([O-])=O)c1O

BDBM50045922

Oc1cccc(\C=C\c2cc(O)cc(O)c2)c1

BDBM50045937

Oc1cccc(\C=C\c2ccc(O)c(O)c2)c1

BDBM50045926

Oc1cccc(\C=C\c2cccc(O)c2)c1

BDBM50025479

Oc1cccc(c1)-c1cc(=O)c2c(O)cccc2o1

BDBM50025481

Oc1cccc(c1)-c1cc(=O)c2cc(O)ccc2o1

BDBM50157558

Oc1cccc(c1)-c1cc(=O)c2ccc(O)c(O)c2o1

BDBM26659

Oc1cccc(c1)-c1cc(=O)c2ccc(O)cc2o1

BDBM50241729

Oc1cccc(c1)-c1n[nH]c(NCc2c(F)cccc2Cl)n1

BDBM25045

Oc1cccc(c1)-c1nc(N2CCOCC2)c2oc3ncccc3c2n1

BDBM50025501

Oc1cccc2C(=O)c3ccccc3C(=O)c12

BDBM50025587

Oc1cccc2oc(cc(=O)c12)-c1ccc(OCc2ccccc2)cc1

BDBM50520683

Oc1ccccc1C(=O)NNC(=S)Nc1ccc(Cl)c(Cl)c1

BDBM50213365

Oc1ccccc1NC(=O)c1cc2cccc(O)c2oc1=N

BDBM357013

Oc1nc(nc2cccc(-c3ccccc3)c12)-c1cncnc1.C(Nc1nc(nc2cccc(-c3ccccc3)c12)-c1cncnc1)c1ccccn1

BDBM50071680

[#6]-[#8]-c1cc(\[#6]=[#6]-2/[#6](=O)-c3cc(Cl)c(Cl)cc3-[#6]-2=O)cc(Br)c1-[#8]

BDBM50071671

[#6]-[#8]-c1cc(\[#6]=[#6]-2\[#6](=O)-c3cc(Cl)c(Cl)cc3-[#6]-2=O)ccc1-[#8]

BDBM50071666

[#6]-[#8]-c1cc2-[#6](=O)\[#6](=[#6]\c3cc(Br)c(-[#8])c(Br)c3)-[#6](=O)-c2cc1-[#8]-[#6]

BDBM50071668

[#6]-[#8]-c1cc2-[#6](=O)\[#6](=[#6]\c3cc(Cl)c(-[#8])c(Cl)c3)-[#6](=O)-c2cc1-[#8]-[#6]

BDBM50071669

[#8]-c1c(Br)cc(\[#6]=[#6]-2\[#6](=O)-c3ccccc3-[#6]-2=O)cc1Br

BDBM4341

[#8]-c1cc(\[#6]=[#6](/C#N)C#N)cc(-[#8])c1-[#8]

BDBM50067024

[#8]-c1ccc(\[#6]=[#6]-2\[#6](=O)-c3ccccc3-[#6]-2=O)cc1-[#8]

BDBM50194720

[H][C@@]1(CCc2c(C1)[nH]c1c(cc(F)c(-c3cccc(c3C)-n3c(=O)n(C)c4c(F)cccc4c3=O)c21)C(O)=N)C(C)(C)O |r,wU:1.0,(7.64,3.3,;7.24,1.81,;5.84,2.47,;4.58,1.59,;4.71,.05,;6.1,-.6,;7.37,.28,;4.84,-1.48,;3.3,-1.34,;2.9,-2.83,;1.41,-3.22,;.33,-2.13,;-1.16,-2.53,;.73,-.64,;-.36,.45,;.05,1.93,;-1.04,3.03,;-2.53,2.63,;-2.93,1.15,;-1.85,.05,;-2.25,-1.43,;-4.42,.75,;-4.82,-.73,;-3.74,-1.83,;-6.31,-1.13,;-6.71,-2.62,;-7.4,-.04,;-8.89,-.43,;-9.29,-1.92,;-9.97,.66,;-9.57,2.15,;-8.08,2.54,;-6.99,1.45,;-5.51,1.84,;-5.1,3.33,;2.22,-.25,;3.99,-3.92,;5.48,-3.53,;3.58,-5.41,;8.77,1.67,;8.91,3.21,;8.63,.14,;10.3,1.53,)|

BDBM50504982

[H][C@@]12C[C@@H](O)[C@@]([H])(C1)Cn1nc(c(C(N)=O)c1N2)-c1ccc2scnc2c1 |r|

BDBM50504977

[H][C@@]12C[C@@H](O)[C@@]([H])(C1)Nc1c(C(N)=O)c(nn1C2)-c1ccc2scnc2c1 |r|

BDBM31094

[H][C@@]12C[C@@H]([C@H](OC)[C@@](C)(O1)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13)N(C)C(=O)c1ccccc1 |TLB:11:10:9:4.3.2,17:33:9:4.3.2,THB:24:32:9:4.3.2,5:4:9:10.31.33.32,30:31:9:4.3.2|

BDBM50086604

[H][C@@]12C[C@]1(C)Cc1[nH]nc(C(=O)Nc3cnn(c3)[C@@H](C3CCS(=O)(=O)CC3)c3ccccc3)c1C2 |r|

BDBM50175583

[H][C@]1(CCCN1C(=O)C#CC)c1nc(-c2ccc(cc2)C(=O)Nc2ccccn2)c2c(N)nccn12 |r|

BDBM50157879

[H][C@]1(CN2CCC2)C[C@]([H])(C1)n1cc(-c2cccc(OCc3ccccc3)c2)c2c(N)ncnc12 |wD:8.9,1.0,(6.47,-15.11,;5.71,-13.78,;4.93,-15.11,;5.69,-16.44,;5.68,-17.98,;7.22,-17.99,;7.23,-16.45,;5.31,-12.3,;6.81,-11.9,;6.02,-10.55,;7.2,-13.39,;7.59,-10.56,;6.61,-9.37,;7.45,-8.07,;7.04,-6.58,;5.56,-6.19,;5.15,-4.71,;6.24,-3.6,;7.73,-3.99,;8.81,-2.89,;10.15,-3.66,;11.48,-2.89,;12.81,-3.66,;14.12,-2.9,;14.13,-1.36,;12.8,-.59,;11.48,-1.36,;8.13,-5.47,;8.94,-8.47,;10.35,-7.7,;10.34,-6.15,;11.69,-8.46,;11.69,-10.01,;10.35,-10.79,;9.02,-10.01,)|

BDBM50504963

[H][C@]12CC[C@]([H])(C1)Nc1c(C(N)=O)c(nn1C2)-c1ccc2scnc2c1 |r|

BDBM50560327

[H][C@]12COC(=O)N1C[C@@H](CC2)c1nc(-c2ccc(cc2)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)nccn12 |r|

BDBM50505541

[H][C@]12C[C@@H](NCCOCCOCCOCCNC(=O)CCC3=[N+]4C(C=C3)=Cc3c(C)cc(C)n3[B-]4(F)F)[C@@H](OC)[C@](C)(O1)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13 |r,c:24,26,t:21|

BDBM50504962

[H][C@]12C[C@H](O)[C@]([H])(C1)Cn1nc(c(C(N)=O)c1N2)-c1ccc2scnc2c1 |r|

BDBM50504978

[H][C@]12C[C@H](O)[C@]([H])(C1)Nc1c(C(N)=O)c(nn1C2)-c1ccc2scnc2c1 |r|

BDBM50505542

[H][C@]12C[C@H]([C@@H](OC)[C@](C)(O1)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13)N(C)CCOCCOCCOCCNC(=O)CCC1=[N+]2C(C=C1)=Cc1c(C)cc(C)n1[B-]2(F)F |r,c:63,65,t:60|

BDBM50086681

[H][C@]12Cc3c(C[C@@]1(C)C2(F)F)[nH]nc3C(=O)Nc1cnn(c1)[C@H](c1ccccc1)[C@@]1([H])CCCCS1(=O)=O |r|

BDBM50478880

[H][C@]12[#6]-[#6]\[#6](-[#6@@H](-[#6]-[#6]-[#6](-[#8])=O)[C@]1([#6])[#6]-[#6]-[#6@@H](-[#6])[C@]2([#6])[#6]-[#6]-1=[#6]-[#6](=O)-[#6]=[#6](-[#6])-[#6]-1=O)=[#6](\[#6])-[#6] |r,t:22,26|

BDBM50478881

[H][C@]12[#6]-[#6]\[#6](-[#6@@H](-[#6]-[#6]-[#6](-[#8])=O)[C@]1([#6])[#6]-[#6]-[#6@@H](-[#6])[C@]2([#6])[#6]-c1cc(-[#8]-[#6])cc(-[#6])c1-[#8])=[#6](\[#6])-[#6] |r|

BDBM50106767

[O-][N+](=O)c1cc2C(=O)N(CCN(CCCN(CCCN(CCC#N)CCC#N)CCCN(CCC#N)CCC#N)CCCN(CCCN(CCC#N)CCC#N)CCCN(CCC#N)CCC#N)C(=O)c3cccc(c1)c23

BDBM50111433

[O-][N+](=O)c1ccc(Cl)c(c1)-c1nccc2c1[nH]c1ccccc21

BDBM50279923

[O-][N+](=O)c1ccc([CH-]\N=[NH+]\c2ccccc2)cc1

BDBM50037414

[O-][N+](=O)c1ccc(cc1)-c1cc(=O)c2cc(cc([N+]([O-])=O)c2o1)[N+]([O-])=O

BDBM50037398

[O-][N+](=O)c1ccc(cc1)-c1cc(=O)c2cc(ccc2o1)[N+]([O-])=O

BDBM50037404

[O-][N+](=O)c1ccc(cc1)-c1cc(=O)c2cccc([N+]([O-])=O)c2o1

BDBM50011421

[O-][N+](=O)c1ccc(cc1)-c1cc(=O)c2ccccc2o1

BDBM7262

[O-][N+](=O)c1ccc2[nH]c-3c(CC(=O)Nc4ccccc-34)c2c1

BDBM50120107

[O-][N+](=O)c1ccc2nc(Nc3c(Cl)cccc3Cl)c3cncn3c2c1

BDBM50279922

[O-][N+](=O)c1cccc([CH-]\N=[NH+]\c2ccccc2)c1

BDBM50145936

[O-][N+](=O)c1cccc2c1nc(Nc1c(Cl)cccc1Cl)c1cncn21

BDBM50431812

[O-][N+](=O)c1ccccc1-c1n[nH]cc1C=C1C(=O)Nc2ccccc12 |w:14.15|

BDBM50112917

[O-][N+](=O)c1ccccc1Nc1nc2ccccc2n2cncc12

BDBM50357884

[O-][n+]1ccc2c(ccnc2c1-c1c(Cl)cccc1Cl)-c1ccc(F)cc1Cl |(12.75,-22.82,;14.08,-22.05,;14.08,-20.51,;15.41,-19.74,;16.75,-20.5,;18.08,-19.73,;19.42,-20.51,;19.42,-22.05,;18.08,-22.82,;16.74,-22.05,;15.42,-22.83,;15.42,-24.36,;14.08,-25.13,;12.75,-24.36,;14.09,-26.67,;15.42,-27.44,;16.76,-26.66,;16.75,-25.12,;18.08,-24.34,;18.08,-18.2,;19.42,-17.43,;19.42,-15.89,;18.08,-15.12,;18.08,-13.58,;16.75,-15.89,;16.75,-17.43,;15.42,-18.2,)|

BDBM50037411

[O-]c1cc(oc2c([N+]([O-])=O)c(=[OH+])c(cc12)[N+]([O-])=O)-c1ccc(cc1)[N+]([O-])=O

BDBM50037417

[O-]c1cc(oc2c([N+]([O-])=O)c(=[OH+])ccc12)-c1ccc(cc1)[N+]([O-])=O

BDBM50037400

[O-]c1cc(oc2c(ccc(=[OH+])c12)[N+]([O-])=O)-c1ccc(cc1)[N+]([O-])=O

BDBM50037415

[O-]c1cc(oc2cc(=[OH+])c(cc12)[N+]([O-])=O)-c1ccc(cc1)[N+]([O-])=O

BDBM50037412

[O-]c1cc(oc2ccc([N+]([O-])=O)c(=[OH+])c12)-c1ccc(cc1)[N+]([O-])=O

BDBM50145872

c1ncn2c1c(nc1ccccc21)-c1cccnc1