SMILES for Probable maltase-glucoamylase 2

541 SMILES Strings for Probable maltase-glucoamylase 2

Compound Name

SMILES String

BDBM223125

Brc1ccc(CN2C(=O)\C(=N/NC(=O)COc3ccc4ccc(=O)oc4c3)c3cc(Br)ccc23)cc1

BDBM223118

Brc1ccc(CN2C(=O)\C(=N/NC(=O)COc3ccc4ccc(=O)oc4c3)c3ccccc23)cc1

BDBM50502012

Brc1ccc(Cn2cc(CSc3nc4ccccc4s3)nn2)cc1

BDBM225287

Brc1ccc(Cn2cc(c3ccccc23)C2(C(=O)Nc3ccccc23)c2cn(Cc3ccc(Br)cc3)c3ccccc23)cc1

BDBM50502153

Brc1ccc(cc1)-c1csc(NC(=O)CSc2nnc(-c3ccc(Br)cc3)c(n2)-c2ccc(Br)cc2)n1

BDBM50502087

Brc1ccc(cc1)-c1csc(NC(=O)CSc2nnc(-c3ccccc3)c(n2)-c2ccccc2)n1

BDBM50502189

Brc1ccc(cc1)-c1nnc(SCC(=O)Nc2nc(cs2)-c2ccccc2)nc1-c1ccc(Br)cc1

BDBM50502173

Brc1ccc(cc1)-n1c(nc(c1-c1ccccc1)-c1ccccc1)-c1c([nH]c2ccccc12)-c1cccc(Br)c1 |(25.09,-7.62,;26.63,-7.61,;27.39,-6.27,;28.93,-6.26,;29.71,-7.6,;28.95,-8.93,;27.42,-8.94,;31.24,-7.58,;32.15,-8.82,;33.62,-8.34,;33.61,-6.8,;32.14,-6.33,;31.65,-4.88,;32.68,-3.73,;32.2,-2.26,;30.69,-1.95,;29.66,-3.11,;30.15,-4.57,;34.84,-5.89,;36.25,-6.51,;37.49,-5.6,;37.32,-4.07,;35.9,-3.45,;34.67,-4.37,;31.69,-10.28,;32.6,-11.52,;31.7,-12.78,;30.23,-12.31,;28.89,-13.09,;27.56,-12.32,;27.56,-10.77,;28.89,-10,;30.22,-10.77,;34.14,-11.51,;34.9,-10.18,;36.43,-10.16,;37.22,-11.5,;36.45,-12.84,;37.23,-14.17,;34.92,-12.84,)|

BDBM47862

Brc1ccc(cc1)C(=O)Cn1nnc2ccccc12

BDBM50457205

Brc1ccc(cc1)C(=O)n1nnc2ccccc12

BDBM50502035

Brc1ccc(cc1)C(Nc1ccc(Oc2ccc(NC(c3ccc(Br)cc3)n3nc(oc3=S)-c3cc4ccccc4oc3=O)cc2)cc1)n1nc(oc1=S)-c1cc2ccccc2oc1=O

BDBM50502196

Brc1ccc(cc1)C(Nc1ccc(cc1)-c1ccc(NC(c2ccc(Br)cc2)n2nc(oc2=S)-c2cc3ccccc3oc2=O)cc1)n1nc(oc1=S)-c1cc(=O)oc2ccccc12

BDBM50502027

Brc1ccc(cc1)[C@H](CC(=O)c1ccccc1)c1c[nH]c2ccccc12 |r|

BDBM223123

Brc1ccc2N(Cc3ccccc3)C(=O)\C(=N/NC(=O)COc3ccc4ccc(=O)oc4c3)c2c1

BDBM225282

Brc1ccc2NC(=O)C(c2c1)(c1c[nH]c2ccccc12)c1c[nH]c2ccccc12

BDBM223111

Brc1ccc2NC(=O)\C(=N/NC(=O)COc3ccc4ccc(=O)oc4c3)c2c1

BDBM181073

Brc1cccc(\C=N\NC(=O)c2nc(cs2)-c2cc3ccccc3oc2=O)c1

BDBM50528921

Brc1cccc(c1)C(=O)Cn1nnc2ccccc12

BDBM50502038

Brc1cccc(c1)C(Nc1ccc(NC(c2cccc(Br)c2)n2nc(oc2=S)-c2cc3ccccc3oc2=O)cc1)n1nc(oc1=S)-c1cc(=O)oc2ccccc12

BDBM50502041

Brc1cccc(c1)C(Nc1ccc(Oc2ccc(NC(c3cccc(Br)c3)n3nc(oc3=S)-c3cc4ccccc4oc3=O)cc2)cc1)n1nc(oc1=S)-c1cc2ccccc2oc1=O

BDBM50502032

Brc1cccc(c1)C(Nc1ccc(cc1)-c1ccc(NC(c2cccc(Br)c2)n2nc(oc2=S)-c2cc3ccccc3oc2=O)cc1)n1nc(oc1=S)-c1cc(=O)oc2ccccc12

BDBM50502028

Brc1cccc(c1)[C@H](CC(=O)c1ccccc1)c1c[nH]c2ccccc12 |r|

BDBM50502200

Brc1ccccc1Cn1cc(CSc2nc3ccccc3s2)nn1

BDBM50502184

Brc1ccnc2n(ccc12)-c1ccc(\C=C2\SC(=O)NC2=O)cc1

BDBM50519382

CC(=C)C(COc1c2occc2cc2ccc(=O)oc12)OC(C)(C)[C@H](O)COc1c2ccoc2cc2oc(=O)ccc12 |r|

BDBM50502081

CC(=O)Nc1ccc(cc1)-n1c(nc(c1-c1ccccc1)-c1ccccc1)-c1c([nH]c2ccc(F)cc12)-c1ccccc1 |(68.81,-24.66,;70.35,-24.65,;71.11,-23.31,;71.13,-25.98,;72.67,-25.97,;73.43,-24.63,;74.97,-24.62,;75.74,-25.95,;74.99,-27.28,;73.45,-27.3,;77.28,-25.94,;78.19,-27.18,;79.65,-26.69,;79.64,-25.15,;78.18,-24.69,;77.69,-23.23,;78.72,-22.08,;78.23,-20.62,;76.72,-20.31,;75.7,-21.47,;76.19,-22.92,;80.88,-24.24,;82.29,-24.87,;83.53,-23.95,;83.36,-22.42,;81.94,-21.81,;80.7,-22.72,;77.73,-28.64,;78.64,-29.88,;77.74,-31.13,;76.27,-30.66,;74.93,-31.44,;73.59,-30.67,;73.6,-29.13,;72.26,-28.36,;74.93,-28.36,;76.26,-29.12,;80.18,-29.87,;80.95,-31.2,;82.49,-31.19,;83.25,-29.85,;82.47,-28.52,;80.93,-28.53,)|

BDBM181061

CC(C)(C)c1cc(\C=N\NC(=O)c2nc(cs2)-c2cc3ccccc3oc2=O)c(O)c(c1)C(C)(C)C

BDBM50502158

CC(C)(C)c1ccc(Cn2cc(CSc3nc4cc(Cl)ccc4s3)nn2)cc1

BDBM50502204

CC(C)(C)c1ccc(Cn2cc(CSc3nc4ccccc4s3)nn2)cc1

BDBM225293

CC(C)Cn1cc(c2ccccc12)C1(C(=O)Nc2ccccc12)c1cn(CC(C)C)c2ccccc12

BDBM225291

CC(C)n1cc(c2ccccc12)C1(C(=O)Nc2ccccc12)c1cn(C(C)C)c2ccccc12

BDBM50453560

CC1(C)CCc2cc(CC3=C(C(O)OC3=O)c3ccc(O)cc3)ccc2O1 |t:9|

BDBM50453557

CC1(C)CCc2cc(CC3=C(c4ccc(O)cc4)[C@](O)(OC3=O)C(O)=O)ccc2O1 |r,c:9|

BDBM50453562

CC1(C)CCc2cc(CC3OC(=O)C(O)=C3c3ccc(O)cc3)ccc2O1 |c:14|

BDBM50463894

CCC1NC(CC)C(O)C(O)C1O

BDBM50501998

CCCCCCCCCCCC(=O)N\N=C1/C(=O)Nc2ccccc12

BDBM50469238

CCCCCCCCC[C@H]1NC[C@@H](O)[C@@H](O)[C@H]1CO |r|

BDBM50235812

CCCCC[C@H]1NC[C@@H](O)[C@@H](O)[C@H]1CO |r|

BDBM50528896

CCCCOc1ccc(cc1)C(=O)n1nnc2ccccc12

BDBM225292

CCCCn1cc(c2ccccc12)C1(C(=O)Nc2ccccc12)c1cn(CCCC)c2ccccc12

BDBM50502248

CCCN1C(=O)\C(=N/NC(=O)Cc2ccc(Cl)cc2Cl)c2ccccc12

BDBM50457904

CCCOc1c(OC)c(cc(OC)c1-c1ccc(O)cc1)-c1ccc(O)cc1

BDBM50457903

CCCOc1ccc(cc1)-c1c(O)c(OC)c(cc1OC)-c1ccc(O)cc1

BDBM50457905

CCCOc1ccc(cc1)-c1c(OC)cc(c(OC)c1OCCC)-c1ccc(O)cc1

BDBM50457896

CCCOc1ccc(cc1)-c1cc(OC)c(c(O)c1OC)-c1ccc(O)cc1

BDBM50457889

CCCOc1ccc(cc1)-c1cc(OC)c(c(OCCC)c1OC)-c1ccc(O)cc1

BDBM225290

CCCn1cc(c2ccccc12)C1(C(=O)Nc2ccccc12)c1cn(CCC)c2ccccc12

BDBM50502206

CCOC(=O)C1=C(C[C@H](N([C@@H]1c1ccc(C)cc1)c1cccc(c1)[N+]([O-])=O)c1ccc(C)cc1)Nc1cccc(c1)[N+]([O-])=O |r,t:5|

BDBM50502194

CCOC(=O)C1=C(C[C@H](N([C@@H]1c1ccc(Cl)cc1)c1cccc(Br)c1)c1ccc(Cl)cc1)Nc1cccc(Br)c1 |r,t:5|

BDBM50502160

CCOC(=O)C1=C(C[C@H](N([C@@H]1c1ccc(Cl)cc1)c1cccc(Cl)c1)c1ccc(Cl)cc1)Nc1cccc(Cl)c1 |r,t:5|

BDBM50502143

CCOC(=O)C1=C(C[C@H](N([C@@H]1c1ccc(Cl)cc1)c1cccc(F)c1)c1ccc(Cl)cc1)Nc1cccc(F)c1 |r,t:5|

BDBM50502172

CCOC(=O)CC(=O)OCC

BDBM50502007

CCOC(=O)CN1C(=O)S\C(=C\c2ccc(cc2)-n2ccc3c(Br)ccnc23)C1=O

BDBM50203410

CCOc1ccc(NC(=O)Cn2cc(Cn3c(nc(c3-c3ccccc3)-c3ccccc3)-c3ccc(cc3)C(=O)OC)nn2)cc1

BDBM50203344

CCOc1ccc(NC(=O)Cn2cc(Cn3c(nc(c3-c3ccccc3)-c3ccccc3)-c3cccc(Cl)c3)nn2)cc1

BDBM50203367

CCOc1ccccc1NC(=O)Cn1cc(Cn2c(nc(c2-c2ccccc2)-c2ccccc2)-c2cccc(Br)c2)nn1

BDBM50203404

CCOc1ccccc1NC(=O)Cn1cc(Cn2c(nc(c2-c2ccccc2)-c2ccccc2)-c2ccccc2F)nn1

BDBM50502237

CCn1c2ccccc2c2cc(NC(=O)CSc3nc4ccccc4[nH]3)ccc12

BDBM50502222

CN(C)c1ccc(cc1)-c1nnc(N)s1

BDBM50502233

CN(C)c1ccc(cc1)C(Nc1ccc(NC(c2ccc(cc2)N(C)C)n2nc(oc2=S)-c2cc3ccccc3oc2=O)cc1)n1nc(oc1=S)-c1cc(=O)oc2ccccc12

BDBM50502197

CN(C)c1ccc(cc1)C(Nc1ccc(Oc2ccc(NC(c3ccc(cc3)N(C)C)n3nc(oc3=S)-c3cc4ccccc4oc3=O)cc2)cc1)n1nc(oc1=S)-c1cc2ccccc2oc1=O

BDBM50501990

CN(C)c1ccc(cc1)C(Nc1ccc(cc1)-c1ccc(NC(c2ccc(cc2)N(C)C)n2nc(oc2=S)-c2cc3ccccc3oc2=O)cc1)n1nc(oc1=S)-c1cc(=O)oc2ccccc12

BDBM223113

CN1C(=O)\C(=N/NC(=O)COc2ccc3ccc(=O)oc3c2)c2ccccc12

BDBM50502183

CN1C(=O)\C(=N/Nc2nc(cs2)-c2ccc(C)cc2)c2ccccc12

BDBM50502075

CN1C(=O)\C(=N/Nc2nc(cs2)-c2ccc(F)cc2)c2ccccc12

BDBM50502126

COC(=O)CC(C)=O

BDBM50453565

COC(=O)[C@@]1(O)OC(=O)C(Cc2ccc3OC(C)(C)CCc3c2)=C1c1ccc(O)cc1 |r,c:24|

BDBM50453561

COC(=O)[C@]1(Cc2ccc(O)cc2)OC(=O)C(O)=C1c1ccc(O)cc1 |r,c:18|

BDBM50453563

COC(=O)[C@]1(Cc2ccc3OC(C)(C)CCc3c2)OC(=O)C(O)=C1c1ccc(O)cc1 |r,c:24|

BDBM50453610

COC(=O)[C@]1(Cc2ccc3OC(C)(C)[C@H](O)Cc3c2)OC(=O)C(O)=C1c1ccc(O)cc1 |r,c:25|

BDBM50453564

COC(=O)[C@]1(Cc2ccc3O[C@H](Cc3c2)C(C)(C)O)OC(=O)C(O)=C1c1ccc(O)cc1 |r,c:25|

BDBM50203412

COC(=O)c1ccc(cc1)-c1nc(c(-c2ccccc2)n1Cc1cn(CC(=O)Nc2cc(Cl)ccc2Cl)nn1)-c1ccccc1

BDBM50502201

COC(=O)c1cn(C[C@@H](C)Oc2ccc(Br)cc2OC)nn1 |r|

BDBM50279523

CO[C@@H]([C@H](C)O)c1cc(OC)c(OC)cc1OC |r|

BDBM50457921

COc1c(O)c(c(OC)c(Br)c1-c1ccc(O)cc1)-c1ccc(O)cc1

BDBM50457895

COc1c(O)c(c(OC)c(Cl)c1-c1ccc(O)cc1)-c1ccc(O)cc1

BDBM50454322

COc1c(O)ccc2c1oc1c3c(OC(CO)C3(C)C)cc(O)c1c2=O

BDBM50519379

COc1c2ccoc2c(OCC(O)C(C)(C)OC(COc2c3ccoc3cc3oc(=O)ccc23)C(C)=C)c2oc(=O)ccc12

BDBM50519384

COc1c2ccoc2c(OCC(OC(C)(C)[C@H](O)COc2c3ccoc3cc3oc(=O)ccc23)C(C)=C)c2oc(=O)ccc12 |r|

BDBM50457906

COc1cc(-c2ccc(O)cc2)c(OC)c(O)c1-c1ccc(OCCBr)cc1

BDBM50457898

COc1cc(-c2ccc(O)cc2)c(OC)c(OC(=O)c2ccco2)c1-c1ccc(O)cc1

BDBM50457907

COc1cc(-c2ccc(O)cc2)c(OC)c(OCCBr)c1-c1ccc(O)cc1

BDBM50457899

COc1cc(-c2ccc(O)cc2)c(OC)c(OCCC(C)C)c1-c1ccc(O)cc1

BDBM50457913

COc1cc(-c2ccc(OCC#C)cc2)c(OC)c(OCC#C)c1-c1ccc(O)cc1

BDBM50457900

COc1cc(-c2ccc(OCCBr)cc2)c(OC)c(O)c1-c1ccc(O)cc1

BDBM50457890

COc1cc(-c2ccc(OCCBr)cc2)c(OC)c(OCCBr)c1-c1ccc(O)cc1

BDBM50457908

COc1cc(-c2ccc(OCCC(C)C)cc2)c(OC)c(O)c1-c1ccc(O)cc1

BDBM50502132

COc1cc(Br)ccc1O[C@H](C)Cn1cc(nn1)-c1ccc(F)cc1 |r|

BDBM50502156

COc1cc(Br)ccc1O[C@H](C)Cn1cc(nn1)-c1ccc(cc1)C(F)(F)F |r|

BDBM50502131

COc1cc(Br)ccc1O[C@H](C)Cn1cc(nn1)-c1ccccc1 |r|

BDBM173536

COc1cc(\C=N\NC(=O)c2cc3ccccc3[nH]2)ccc1O

BDBM50457920

COc1cc(c(O)c(O)c1-c1ccc(O)cc1)-c1ccc(O)cc1

BDBM50457894

COc1cc(c(OC)c(O)c1-c1ccc(O)c(O)c1)-c1ccc(O)c(O)c1

BDBM50457917

COc1cc(c(OC)c(O)c1-c1ccc(O)c(O)c1)-c1ccc(O)cc1

BDBM50457916

COc1cc(c(OC)c(O)c1-c1ccc(O)cc1)-c1ccc(O)cc1

BDBM50457897

COc1cc(c(OC)c(O)c1-c1ccc(O)cc1)-c1ccc(OCC=C)cc1

BDBM50457922

COc1cc(c(OC)c(O)c1-c1ccc(O)cc1)-c1ccc(OCc2ccc(cc2)-c2ccccc2)cc1

BDBM50457914

COc1cc(c(OC)c(O)c1-c1ccc(O)cc1)-c1ccc(OCc2ccccc2)cc1

BDBM50457918

COc1cc(c(OC)c(O)c1-c1ccc(O)cc1)-c1ccccc1

BDBM50457891

COc1cc(c(OC)c(O)c1-c1ccc(OCC=C)cc1)-c1ccc(O)cc1

BDBM50457893

COc1cc(c(OC)c(O)c1-c1ccc(OCc2ccccc2)cc1)-c1ccc(O)cc1

BDBM50457909

COc1cc(c(OC)c(OCC=C)c1-c1ccc(O)cc1)-c1ccc(O)cc1

BDBM50457901

COc1cc(c(OC)c(OCC=C)c1-c1ccc(O)cc1)-c1ccc(OCC=C)cc1

BDBM50457915

COc1cc(c(OC)c(OCc2ccccc2)c1-c1ccc(O)cc1)-c1ccc(O)cc1

BDBM50502198

COc1cc(cc(Br)c1O)C(c1c(N)c2ccccc2oc1=O)c1c(N)c2ccccc2oc1=O

BDBM50502042

COc1cc(cc(Cl)c1O)C(c1c(N)c2ccccc2oc1=O)c1c(N)c2ccccc2oc1=O

BDBM50502119

COc1cc(ccc1OCc1ccccc1)-c1nnc(\N=C\c2ccc(O)cc2)s1

BDBM50502133

COc1cc(ccc1O[C@H](C)Cn1cc(nn1)-c1ccc(cc1)C(F)(F)F)-c1ccc(C)cc1 |r|

BDBM50502134

COc1cc(ccc1O[C@H](C)Cn1cc(nn1)-c1ccc(cc1)C(F)(F)F)-c1ccc(F)cc1 |r|

BDBM50502202

COc1cc(ccc1O[C@H](C)Cn1cc(nn1)-c1ccc(cc1)C(F)(F)F)-c1ccc(cc1)[N+]([O-])=O |r|

BDBM179778

COc1ccc(-c2nc3cccc(C)c3[nH]2)c(O)c1

BDBM50502255

COc1ccc(Br)cc1-c1nnc(N)s1

BDBM50502116

COc1ccc(Br)cc1\C=N\c1nnc(s1)-c1ccc(Cl)cc1

BDBM50502171

COc1ccc(Br)cc1\C=N\c1nnc(s1)-c1cccc(c1)[N+]([O-])=O

BDBM50502129

COc1ccc(Cc2nnc(-c3ccc(Cl)cc3)n2CC(=O)NNC(=S)Nc2ccc(Cl)cc2)cc1

BDBM50502130

COc1ccc(Cc2nnc(-c3ccc(Cl)cc3)n2Cc2nn(CN3CCN(C)CC3)c(=S)o2)cc1

BDBM50524736

COc1ccc(NC(=O)Cn2cc(COc3cc(O)c4c(c3)oc3cc(Br)ccc3c4=O)nn2)c(OC)c1

BDBM50524717

COc1ccc(NC(=O)Cn2cc(COc3cc(O)c4c(c3)oc3cc(Br)ccc3c4=O)nn2)cc1OC

BDBM50524733

COc1ccc(NC(=O)Cn2cc(COc3cc(O)c4c(c3)oc3cc(OC)ccc3c4=O)nn2)c(OC)c1

BDBM50524722

COc1ccc(NC(=O)Cn2cc(COc3cc(O)c4c(c3)oc3ccc(Br)cc3c4=O)nn2)c(OC)c1

BDBM50524720

COc1ccc(NC(=O)Cn2cc(COc3cc(O)c4c(c3)oc3ccc(Br)cc3c4=O)nn2)cc1OC

BDBM50524721

COc1ccc(NC(=O)Cn2cc(COc3cc(O)c4c(c3)oc3ccc(OC)cc3c4=O)nn2)c(OC)c1

BDBM50524731

COc1ccc(NC(=O)Cn2cc(COc3cc(OC(C)=O)c4c(c3)oc3cc(Br)ccc3c4=O)nn2)c(OC)c1

BDBM50524729

COc1ccc(NC(=O)Cn2cc(COc3cc(OC(C)=O)c4c(c3)oc3cc(Br)ccc3c4=O)nn2)cc1OC

BDBM50524718

COc1ccc(NC(=O)Cn2cc(COc3cc(OC(C)=O)c4c(c3)oc3cc(OC)ccc3c4=O)nn2)c(OC)c1

BDBM50524732

COc1ccc(NC(=O)Cn2cc(COc3cc(OC(C)=O)c4c(c3)oc3ccc(Br)cc3c4=O)nn2)c(OC)c1

BDBM50524738

COc1ccc(NC(=O)Cn2cc(COc3cc(OC(C)=O)c4c(c3)oc3ccc(Br)cc3c4=O)nn2)cc1OC

BDBM50524730

COc1ccc(NC(=O)Cn2cc(COc3cc(OC(C)=O)c4c(c3)oc3ccc(OC)cc3c4=O)nn2)c(OC)c1

BDBM50203406

COc1ccc(NC(=O)Cn2cc(Cn3c(nc(c3-c3ccccc3)-c3ccccc3)-c3cccc(Cl)c3)nn2)cc1

BDBM50203403

COc1ccc(NC(=O)Cn2cc(Cn3c(nc(c3-c3ccccc3)-c3ccccc3)-c3cccs3)nn2)cc1

BDBM50502216

COc1ccc(NC(=S)NNC(=O)c2ccc(cc2)-c2nnc(o2)-c2ccccc2Cl)cc1

BDBM173540

COc1ccc(O)c(\C=N\NC(=O)c2cc3ccccc3[nH]2)c1

BDBM50502159

COc1ccc(O)c(\C=N\NC(=O)c2cc3ccccc3oc2=O)c1

BDBM179772

COc1ccc(O)c(c1)-c1nc2cccc(C)c2[nH]1

BDBM173541

COc1ccc(\C=N\NC(=O)c2cc3ccccc3[nH]2)c(I)c1O

BDBM173539

COc1ccc(\C=N\NC(=O)c2cc3ccccc3[nH]2)cc1O

BDBM50502050

COc1ccc(\C=N\NC(=O)c2cc3ccccc3oc2=O)c(O)c1

BDBM50502053

COc1ccc(\C=N\NC(=O)c2cc3ccccc3oc2=O)cc1

BDBM181065

COc1ccc(\C=N\NC(=O)c2nc(cs2)-c2cc3ccccc3oc2=O)c(O)c1

BDBM181058

COc1ccc(\C=N\NC(=O)c2nc(cs2)-c2cc3ccccc3oc2=O)cc1

BDBM50502157

COc1ccc(cc1)-c1ccc(O[C@H](C)Cn2cc(nn2)-c2ccc(cc2)C(F)(F)F)c(OC)c1 |r|

BDBM50502004

COc1ccc(cc1)-c1csc(NC(=O)CSc2nnc(-c3ccc(Br)cc3)c(n2)-c2ccc(Br)cc2)n1

BDBM50502085

COc1ccc(cc1)-c1csc(NC(=O)CSc2nnc(-c3ccccc3)c(n2)-c2ccccc2)n1

BDBM50502076

COc1ccc(cc1)-c1csc(N\N=C2/C(=O)N(C)c3ccccc23)n1

BDBM50501993

COc1ccc(cc1)-c1csc(N\N=C2/C(=O)N(Cc3ccccc3F)c3ccc(C)cc23)n1

BDBM50502080

COc1ccc(cc1)-n1c(nc(c1-c1ccccc1)-c1ccccc1)-c1c([nH]c2ccc(Cl)cc12)-c1ccc(Cl)cc1 |(3.99,-24.96,;4.77,-26.29,;6.31,-26.28,;7.07,-24.94,;8.61,-24.93,;9.39,-26.26,;8.63,-27.6,;7.09,-27.61,;10.92,-26.25,;11.83,-27.49,;13.29,-27,;13.28,-25.46,;11.82,-25,;11.33,-23.54,;12.36,-22.39,;11.87,-20.93,;10.36,-20.62,;9.34,-21.78,;9.83,-23.23,;14.52,-24.56,;15.93,-25.18,;17.17,-24.27,;17,-22.73,;15.58,-22.12,;14.35,-23.03,;11.37,-28.95,;12.28,-30.19,;11.38,-31.44,;9.91,-30.97,;8.57,-31.75,;7.24,-30.98,;7.24,-29.44,;5.9,-28.67,;8.57,-28.67,;9.9,-29.43,;13.82,-30.18,;14.59,-31.51,;16.13,-31.5,;16.9,-30.16,;18.44,-30.15,;16.11,-28.83,;14.57,-28.84,)|

BDBM50501999

COc1ccc(cc1)-n1c(nc(c1-c1ccccc1)-c1ccccc1)-c1c([nH]c2ccccc12)-c1cccc(Br)c1 |(68.36,-5.03,;69.14,-6.35,;70.68,-6.34,;71.45,-5,;72.98,-5,;73.76,-6.33,;73,-7.66,;71.47,-7.68,;75.29,-6.31,;76.21,-7.55,;77.67,-7.07,;77.66,-5.53,;76.19,-5.06,;75.71,-3.61,;76.73,-2.46,;76.25,-1,;74.74,-.68,;73.71,-1.84,;74.2,-3.3,;78.89,-4.62,;80.3,-5.24,;81.54,-4.33,;81.37,-2.8,;79.95,-2.18,;78.72,-3.1,;75.74,-9.01,;76.66,-10.25,;75.76,-11.51,;74.29,-11.04,;72.95,-11.82,;71.61,-11.05,;71.61,-9.5,;72.94,-8.73,;74.28,-9.5,;78.19,-10.24,;78.95,-8.91,;80.48,-8.9,;81.27,-10.23,;80.51,-11.57,;81.28,-12.9,;78.97,-11.58,)|

BDBM50528917

COc1ccc(cc1)C(=O)Cn1nnc2cc(C)c(C)cc12

BDBM50528908

COc1ccc(cc1)C(=O)Cn1nnc2ccccc12

BDBM50502102

COc1ccc(cc1)C(=O)\N=c1/scc(C)n1-c1cc(Cl)c(Cl)cc1Cl |(67.38,-52.75,;68.71,-53.52,;70.04,-52.74,;70.04,-51.2,;71.37,-50.43,;72.7,-51.2,;72.71,-52.73,;71.39,-53.51,;74.03,-50.43,;74.03,-48.89,;75.37,-51.2,;75.37,-52.75,;74.12,-53.66,;74.59,-55.13,;76.14,-55.13,;77.05,-56.38,;76.63,-53.66,;78.16,-53.65,;78.93,-54.99,;80.47,-54.98,;81.24,-56.31,;81.24,-53.65,;82.78,-53.64,;80.45,-52.31,;78.92,-52.33,;78.14,-51,)|

BDBM50457201

COc1ccc(cc1)C(=O)n1nnc2ccccc12

BDBM50502123

COc1ccc(cc1)N1\C(S\C(=C/c2ccc(F)cc2)C1=O)=N\NC(=O)c1cc2ccccc2oc1=O

BDBM50502244

COc1ccc(cc1)[C@H](CC(=O)c1ccc2ccccc2c1)c1c[nH]c2ccccc12 |r|

BDBM50502029

COc1ccc(cc1)[C@H](CC(=O)c1ccccc1)c1c[nH]c2ccccc12 |r|

BDBM179779

COc1ccc(cc1O)-c1nc2cccc(C)c2[nH]1

BDBM50203345

COc1ccc(cc1OC)-c1nc(c(-c2ccccc2)n1Cc1cn(CC(=O)Nc2ccc(Cl)cc2Cl)nn1)-c1ccccc1

BDBM50524719

COc1ccc2c(c1)oc1cc(OCc3cn(CC(=O)Nc4ccc(OC)c(OC)c4)nn3)cc(O)c1c2=O

BDBM50524734

COc1ccc2c(c1)oc1cc(OCc3cn(CC(=O)Nc4ccc(OC)c(OC)c4)nn3)cc(OC(C)=O)c1c2=O

BDBM50524735

COc1ccc2oc3cc(OCc4cn(CC(=O)Nc5ccc(OC)c(OC)c5)nn4)cc(O)c3c(=O)c2c1

BDBM50524728

COc1ccc2oc3cc(OCc4cn(CC(=O)Nc5ccc(OC)c(OC)c5)nn4)cc(OC(C)=O)c3c(=O)c2c1

BDBM50502112

COc1cccc(-c2nnc(N)s2)c1OC

BDBM50502091

COc1cccc(NC(=S)NNC(=O)c2ccc(cc2)-c2nnc(o2)-c2ccccc2Cl)c1

BDBM50502199

COc1cccc(c1)C(Nc1ccc(NC(c2cccc(OC)c2)n2nc(oc2=S)-c2cc3ccccc3oc2=O)cc1)n1nc(oc1=S)-c1cc(=O)oc2ccccc12

BDBM50502033

COc1cccc(c1)C(Nc1ccc(cc1)-c1ccc(NC(c2cccc(OC)c2)n2nc(oc2=S)-c2cc3ccccc3oc2=O)cc1)n1nc(oc1=S)-c1cc(=O)oc2ccccc12

BDBM50502236

COc1cccc(c1)C(c1c(N)c2ccccc2oc1=O)c1c(N)c2ccccc2oc1=O

BDBM50502193

COc1cccc(c1)N1\C(S\C(=C/c2ccc(F)cc2)C1=O)=N\NC(=O)c1cc2ccccc2oc1=O

BDBM50203343

COc1ccccc1-c1nc(c(-c2ccccc2)n1Cc1cn(CC(=O)Nc2ccc(C)cc2)nn1)-c1ccccc1

BDBM50326570

COc1ccccc1C(=O)n1nnc2ccccc12

BDBM50502011

COc1ccccc1N1\C(S\C(=C/c2ccc(F)cc2)C1=O)=N\NC(=O)c1cc2ccccc2oc1=O

BDBM50502170

COc1ccccc1NC(=S)NNC(=O)c1ccc(cc1)-c1nnc(o1)-c1ccccc1Cl

BDBM181074

COc1ccccc1\C=N\NC(=O)c1nc(cs1)-c1cc2ccccc2oc1=O

BDBM50523087

CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@@H](N)CCCNC(N)=N)C(C)C)C(O)=O |r|

BDBM50469237

C[C@H]1NC[C@@H](O)[C@@H](O)[C@H]1CO |r|

BDBM23406

C[C@H]1O[C@H](O[C@@H]2[C@@H](CO)O[C@H](O[C@@H]3[C@@H](CO)OC(O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2O)[C@H](O)[C@@H](O)[C@@H]1N[C@H]1C=C(CO)[C@@H](O)[C@H](O)[C@H]1O |t:37|

BDBM50454318

C\C(CCC(O)C(C)=C)=C/COc1ccc2oc3cc(O)cc(O)c3c(=O)c2c1

BDBM50379293

C\C=C\C1=CC2=CC(=O)[C@@](C)(O)[C@@H](OC(=O)c3c(C)cc(O)cc3O)[C@@H]2CO1 |r,t:3,5|

BDBM50456751

C\C=C\C1=CC2=CC(=O)[C@@](C)(OC(=O)c3c(C)cc(O)cc3O)C(=O)C2=CO1 |r,c:27,t:3,5|

BDBM50502016

Cc1[nH]c2ccccc2c1-c1nnc(o1)-c1ccc(cc1)C(c1c(C)n(C)c2ccccc12)c1c(C)n(C)c2ccccc12

BDBM50501996

Cc1[nH]c2ccccc2c1-c1nnc(o1)-c1ccc(cc1)C(c1c([nH]c2ccccc12)-c1ccccc1)c1c([nH]c2ccccc12)-c1ccccc1

BDBM50502175

Cc1[nH]c2ccccc2c1-c1nnc(o1)-c1ccc(cc1)C(c1c[nH]c2ccc(Br)cc12)c1c[nH]c2ccc(Br)cc12

BDBM50502018

Cc1[nH]c2ccccc2c1-c1nnc(o1)-c1ccc(cc1)C(c1c[nH]c2ccc(Cl)cc12)c1c[nH]c2ccc(Cl)cc12

BDBM50502164

Cc1[nH]c2ccccc2c1-c1nnc(o1)-c1ccc(cc1)C(c1c[nH]c2ccc(cc12)C#N)c1c[nH]c2ccc(cc12)C#N

BDBM50502238

Cc1[nH]c2ccccc2c1-c1nnc(o1)-c1ccc(cc1)C(c1c[nH]c2ccccc12)c1c[nH]c2ccccc12

BDBM50502021

Cc1[nH]c2ccccc2c1-c1nnc(o1)-c1ccc(cc1)C(c1cn(C)c2ccccc12)c1cn(C)c2ccccc12

BDBM50502017

Cc1c(C(c2c(C)n(C)c3ccccc23)c2ccc(cc2)-c2nnc(o2)-c2c[nH]c3ccccc23)c2ccccc2n1C

BDBM50502015

Cc1c(C(c2c(C)n(C)c3ccccc23)c2ccc(cc2)-c2nnc(o2)-c2cn(C)c3ccccc23)c2ccccc2n1C

BDBM50022184

Cc1cc(=O)oc2c(O)c(O)ccc12

BDBM50502180

Cc1cc(C)cc(c1)N1\C(S\C(=C/c2ccc(F)cc2)C1=O)=N\NC(=O)c1cc2ccccc2oc1=O

BDBM50456746

Cc1cc(O)cc(O)c1C(=O)O[C@H]1C2=COC(\C=C\CO)=CC2=CC(=O)[C@@]1(C)O |r,c:21,24,t:14|

BDBM50379294

Cc1cc(O)cc(O)c1C(=O)O[C@H]1[C@@H]2COC(\C=C\CO)=CC2=CC(=O)[C@@]1(C)O |r,c:21,24|

BDBM50456747

Cc1cc(O)cc(O)c1C(=O)O[C@]1(C)C(=O)C=C2C=C(OC=C2C1=O)\C=C\CO |r,c:19,22,t:17|

BDBM50528920

Cc1cc(cc(C)c1C)C(=O)n1nnc2ccccc12

BDBM50528904

Cc1cc(ccc1[N+]([O-])=O)C(=O)n1nnc2ccccc12

BDBM223108

Cc1cc2\C(=N\NC(=O)COc3ccc4ccc(=O)oc4c3)C(=O)Nc2c(C)c1

BDBM50502077

Cc1cc2\C(=N\Nc3nc(cs3)-c3ccc(Br)cc3)C(=O)Nc2c(C)c1

BDBM50502264

Cc1cc2\C(=N\Nc3nc(cs3)-c3ccc(F)cc3)C(=O)Nc2c(C)c1

BDBM50528898

Cc1cc2nnn(C(=O)c3ccccc3)c2cc1C

BDBM50528910

Cc1cc2nnn(CC(=O)c3ccc(Cl)c(Cl)c3)c2cc1C

BDBM50528909

Cc1cc2nnn(CC(=O)c3ccc(Cl)cc3)c2cc1C

BDBM50528923

Cc1cc2nnn(CC(=O)c3ccccc3)c2cc1C

BDBM50528911

Cc1cc2nnn(CC(=O)c3ccccc3O)c2cc1C

BDBM50502121

Cc1ccc(C)c(c1)N1\C(S\C(=C/c2ccc(F)cc2)C1=O)=N\NC(=O)c1cc2ccccc2oc1=O

BDBM50502124

Cc1ccc(N2\C(S\C(=C/c3ccc(F)cc3)C2=O)=N\NC(=O)c2cc3ccccc3oc2=O)c(C)c1

BDBM50203368

Cc1ccc(NC(=O)Cn2cc(Cn3c(nc(c3-c3ccccc3)-c3ccccc3)-c3cccc(Cl)c3)nn2)c(C)c1

BDBM50203408

Cc1ccc(NC(=O)Cn2cc(Cn3c(nc(c3-c3ccccc3)-c3ccccc3)-c3cccc(F)c3)nn2)c(C)c1

BDBM50502215

Cc1ccc(NC(=S)NNC(=O)c2ccc(cc2)-c2nnc(o2)-c2ccccc2Cl)cc1

BDBM50501989

Cc1ccc(\C=N\NC(=O)c2cc3ccccc3oc2=O)cc1

BDBM50502161

Cc1ccc(cc1)-c1cc(nc(SCc2ccc(Cl)cc2)n1)-c1ccc(Br)cc1

BDBM50502144

Cc1ccc(cc1)-c1cc(nc(SCc2ccc(F)cc2)n1)-c1cccc(Br)c1

BDBM50502148

Cc1ccc(cc1)-c1cc(nc(SCc2cccc(F)c2)n1)-c1cccc(Br)c1

BDBM50502209

Cc1ccc(cc1)-c1cc(nc(SCc2ccccc2Br)n1)-c1ccc(Br)cc1

BDBM50502147

Cc1ccc(cc1)-c1cc(nc(SCc2ccccc2Cl)n1)-c1cccc(Br)c1

BDBM50502088

Cc1ccc(cc1)-c1csc(NC(=O)CSc2nnc(-c3ccc(Br)cc3)c(n2)-c2ccc(Br)cc2)n1

BDBM50502211

Cc1ccc(cc1)-c1csc(NC(=O)CSc2nnc(-c3ccc(F)cc3)c(n2)-c2ccc(F)cc2)n1

BDBM50502084

Cc1ccc(cc1)-c1csc(NC(=O)CSc2nnc(-c3ccccc3)c(n2)-c2ccccc2)n1

BDBM50502074

Cc1ccc(cc1)-c1csc(N\N=C2/C(=O)N(Cc3ccccc3F)c3ccc(C)cc23)n1

BDBM50502072

Cc1ccc(cc1)-c1csc(N\N=C2/C(=O)Nc3c2cc(C)cc3C)n1

BDBM50502168

Cc1ccc(cc1)-c1csc(N\N=C2/C(=O)Nc3ccc(F)cc23)n1

BDBM50073647

Cc1ccc(cc1)-c1csc(N\N=C2/C(=O)Nc3ccccc23)n1

BDBM50528916

Cc1ccc(cc1)C(=O)Cn1nnc2ccccc12

BDBM50502167

Cc1ccc(cc1)C(=O)N\N=C1/C(=O)Nc2ccc(Cl)cc12

BDBM50502040

Cc1ccc(cc1)C(Nc1ccc(NC(c2ccc(C)cc2)n2nc(oc2=S)-c2cc3ccccc3oc2=O)cc1)n1nc(oc1=S)-c1cc(=O)oc2ccccc12

BDBM50502259

Cc1ccc(cc1)C(Nc1ccc(Oc2ccc(NC(c3ccc(C)cc3)n3nc(oc3=S)-c3cc4ccccc4oc3=O)cc2)cc1)n1nc(oc1=S)-c1cc2ccccc2oc1=O

BDBM50502154

Cc1ccc(cc1)C(Nc1ccc(cc1)-c1ccc(NC(c2ccc(C)cc2)n2nc(oc2=S)-c2cc3ccccc3oc2=O)cc1)n1nc(oc1=S)-c1cc(=O)oc2ccccc12

BDBM50502047

Cc1ccc(cc1)C(c1c(N)c2ccccc2oc1=O)c1c(N)c2ccccc2oc1=O

BDBM50502069

Cc1ccc(cc1)C(c1c[nH]c2ccc(cc12)C(=O)NNS(=O)(=O)c1cc(Cl)c(Cl)cc1Cl)c1c[nH]c2ccc(cc12)C(=O)NNS(=O)(=O)c1cc(Cl)c(Cl)cc1Cl

BDBM50502066

Cc1ccc(cc1)C(c1c[nH]c2ccc(cc12)C(=O)NNS(=O)(=O)c1cc(Cl)cc(Cl)c1)c1c[nH]c2ccc(cc12)C(=O)NNS(=O)(=O)c1cc(Cl)cc(Cl)c1

BDBM50502065

Cc1ccc(cc1)C(c1c[nH]c2ccc(cc12)C(=O)NNS(=O)(=O)c1cc(Cl)ccc1Cl)c1c[nH]c2ccc(cc12)C(=O)NNS(=O)(=O)c1cc(Cl)ccc1Cl

BDBM50502067

Cc1ccc(cc1)C(c1c[nH]c2ccc(cc12)C(=O)NNS(=O)(=O)c1ccc(Br)cc1)c1c[nH]c2ccc(cc12)C(=O)NNS(=O)(=O)c1ccc(Br)cc1

BDBM50502064

Cc1ccc(cc1)C(c1c[nH]c2ccc(cc12)C(=O)NNS(=O)(=O)c1ccc(C)cc1)c1c[nH]c2ccc(cc12)C(=O)NNS(=O)(=O)c1ccc(C)cc1

BDBM50501997

Cc1ccc(cc1)C(c1c[nH]c2ccc(cc12)C(=O)NNS(=O)(=O)c1ccc(Cl)c(Cl)c1)c1c[nH]c2ccc(cc12)C(=O)NNS(=O)(=O)c1ccc(Cl)c(Cl)c1

BDBM50502062

Cc1ccc(cc1)C(c1c[nH]c2ccc(cc12)C(=O)NNS(=O)(=O)c1ccc(Cl)cc1Cl)c1c[nH]c2ccc(cc12)C(=O)NNS(=O)(=O)c1ccc(Cl)cc1Cl

BDBM50502166

Cc1ccc(cc1)C(c1c[nH]c2ccc(cc12)C(=O)NNS(=O)(=O)c1ccc(cc1)[N+]([O-])=O)c1c[nH]c2ccc(cc12)C(=O)NNS(=O)(=O)c1ccc(cc1)[N+]([O-])=O

BDBM50502063

Cc1ccc(cc1)C(c1c[nH]c2ccc(cc12)C(=O)NNS(=O)(=O)c1ccc(cc1[N+]([O-])=O)[N+]([O-])=O)c1c[nH]c2ccc(cc12)C(=O)NNS(=O)(=O)c1ccc(cc1[N+]([O-])=O)[N+]([O-])=O

BDBM50502246

Cc1ccc(cc1)C(c1c[nH]c2ccc(cc12)C(=O)NNS(=O)(=O)c1cccc(Cl)c1Cl)c1c[nH]c2ccc(cc12)C(=O)NNS(=O)(=O)c1cccc(Cl)c1Cl

BDBM50502181

Cc1ccc(cc1)C(c1c[nH]c2ccc(cc12)C(=O)NNS(=O)(=O)c1cccc(c1)[N+]([O-])=O)c1c[nH]c2ccc(cc12)C(=O)NNS(=O)(=O)c1cccc(c1)[N+]([O-])=O

BDBM50502247

Cc1ccc(cc1)C(c1c[nH]c2ccc(cc12)C(=O)NNS(=O)(=O)c1ccccc1Br)c1c[nH]c2ccc(cc12)C(=O)NNS(=O)(=O)c1ccccc1Br

BDBM50502263

Cc1ccc(cc1)C(c1c[nH]c2ccc(cc12)C(=O)NNS(=O)(=O)c1ccccc1Cl)c1c[nH]c2ccc(cc12)C(=O)NNS(=O)(=O)c1ccccc1Cl

BDBM50502068

Cc1ccc(cc1)C(c1c[nH]c2ccc(cc12)C(=O)NNS(=O)(=O)c1ccccc1[N+]([O-])=O)c1c[nH]c2ccc(cc12)C(=O)NNS(=O)(=O)c1ccccc1[N+]([O-])=O

BDBM50502258

Cc1ccc(cc1)N1\C(S\C(=C/c2ccc(F)cc2)C1=O)=N\NC(=O)c1cc2ccccc2oc1=O

BDBM50502245

Cc1ccc(cc1)[C@H](CC(=O)c1ccc2ccccc2c1)c1c[nH]c2ccccc12 |r|

BDBM50502262

Cc1ccc(cc1)[C@H](CC(=O)c1ccccc1)c1c[nH]c2ccccc12 |r|

BDBM50528899

Cc1ccc(cc1C)C(=O)n1nnc2cc(Cl)c(Cl)cc12

BDBM50528913

Cc1ccc(cc1C)C(=O)n1nnc2ccccc12

BDBM50502120

Cc1ccc(cc1C)N1\C(S\C(=C/c2ccc(F)cc2)C1=O)=N\NC(=O)c1cc2ccccc2oc1=O

BDBM223120

Cc1ccc2N(Cc3cccc(F)c3)C(=O)\C(=N/NC(=O)COc3ccc4ccc(=O)oc4c3)c2c1

BDBM223119

Cc1ccc2N(Cc3ccccc3F)C(=O)\C(=N/NC(=O)COc3ccc4ccc(=O)oc4c3)c2c1

BDBM50502250

Cc1ccc2N(Cc3ccccc3F)C(=O)\C(=N/Nc3nc(cs3)-c3ccc(O)cc3)c2c1

BDBM225283

Cc1ccc2NC(=O)C(c2c1)(c1c[nH]c2ccccc12)c1c[nH]c2ccccc12

BDBM223107

Cc1ccc2NC(=O)\C(=N/NC(=O)COc3ccc4ccc(=O)oc4c3)c2c1

BDBM50502078

Cc1ccc2NC(=O)\C(=N/Nc3nc(cs3)-c3ccc(O)cc3)c2c1

BDBM50502125

Cc1cccc(C)c1N1\C(S\C(=C/c2ccc(F)cc2)C1=O)=N\NC(=O)c1cc2ccccc2oc1=O

BDBM50502010

Cc1cccc(N2\C(S\C(=C/c3ccc(F)cc3)C2=O)=N\NC(=O)c2cc3ccccc3oc2=O)c1C

BDBM50502096

Cc1cccc(NC(=S)NNC(=O)c2ccc(cc2)-c2nnc(o2)-c2ccccc2Cl)c1

BDBM50502052

Cc1cccc(\C=N\NC(=O)c2cc3ccccc3oc2=O)c1

BDBM50528902

Cc1cccc(c1)C(=O)n1nnc2ccccc12

BDBM50502046

Cc1cccc(c1)C(c1c(N)c2ccccc2oc1=O)c1c(N)c2ccccc2oc1=O

BDBM50502227

Cc1cccc(c1)N1\C(S\C(=C/c2ccc(F)cc2)C1=O)=N\NC(=O)c1cc2ccccc2oc1=O

BDBM50502026

Cc1cccc(c1)[C@H](CC(=O)c1ccccc1)c1c[nH]c2ccccc12 |r|

BDBM179771

Cc1cccc2nc([nH]c12)-c1cc(O)ccc1O

BDBM179783

Cc1cccc2nc([nH]c12)-c1ccc(Cl)cc1

BDBM179774

Cc1cccc2nc([nH]c12)-c1ccc(F)cc1

BDBM179769

Cc1cccc2nc([nH]c12)-c1ccc(O)c(O)c1

BDBM179775

Cc1cccc2nc([nH]c12)-c1ccc(O)cc1

BDBM179765

Cc1cccc2nc([nH]c12)-c1ccc(O)cc1O

BDBM179782

Cc1cccc2nc([nH]c12)-c1cccc(Cl)c1

BDBM60585

Cc1cccc2nc([nH]c12)-c1cccc(F)c1

BDBM179776

Cc1cccc2nc([nH]c12)-c1cccc(O)c1

BDBM179773

Cc1cccc2nc([nH]c12)-c1cccc(O)c1O

BDBM179781

Cc1cccc2nc([nH]c12)-c1ccccc1Cl

BDBM179767

Cc1cccc2nc([nH]c12)-c1ccccc1F

BDBM179777

Cc1cccc2nc([nH]c12)-c1ccccc1O

BDBM179766

Cc1cccc2nc([nH]c12)-c1ccccc1[N+]([O-])=O

BDBM179770

Cc1cccc2nc([nH]c12)-c1cccs1

BDBM179780

Cc1cccc2nc([nH]c12)-c1ccncc1

BDBM50502122

Cc1ccccc1N1\C(S\C(=C/c2ccc(F)cc2)C1=O)=N\NC(=O)c1cc2ccccc2oc1=O

BDBM50203401

Cc1ccccc1NC(=O)Cn1cc(Cn2c(nc(c2-c2ccccc2)-c2ccccc2)-c2ccc(Br)cc2)nn1

BDBM50203407

Cc1ccccc1NC(=O)Cn1cc(Cn2c(nc(c2-c2ccccc2)-c2ccccc2)-c2cccc(F)c2)nn1

BDBM50502051

Cc1ccccc1\C=N\NC(=O)c1cc2ccccc2oc1=O

BDBM50502104

Cc1cs\c(=N/C(=O)c2cc3ccccc3oc2=O)n1-c1cc(Cl)c(Cl)cc1Cl |(32.31,-13.75,;31.41,-12.51,;29.86,-12.51,;29.38,-11.03,;30.64,-10.12,;30.64,-8.57,;29.3,-7.8,;27.96,-8.57,;29.29,-6.26,;30.63,-5.49,;30.62,-3.95,;31.95,-3.19,;31.95,-1.65,;30.62,-.89,;29.29,-1.65,;29.29,-3.18,;27.96,-3.95,;27.95,-5.5,;26.62,-6.27,;31.89,-11.03,;33.43,-11.03,;34.2,-12.36,;35.74,-12.36,;36.51,-13.69,;36.5,-11.02,;38.05,-11.01,;35.72,-9.69,;34.19,-9.7,;33.41,-8.37,)|

BDBM50502218

Cc1cs\c(=N/C(=O)c2cccc(C)c2)n1-c1cc(Cl)c(Cl)cc1Cl |(57.41,-56.38,;56.5,-55.13,;54.95,-55.13,;54.48,-53.66,;55.73,-52.75,;55.73,-51.2,;54.39,-50.43,;54.39,-48.89,;53.06,-51.2,;53.07,-52.73,;51.75,-53.51,;50.4,-52.75,;50.4,-51.2,;49.06,-50.44,;51.73,-50.43,;56.99,-53.66,;58.52,-53.66,;59.29,-54.99,;60.83,-54.98,;61.61,-56.32,;61.6,-53.65,;63.14,-53.64,;60.81,-52.31,;59.28,-52.33,;58.5,-51,)|

BDBM50502219

Cc1cs\c(=N/C(=O)c2cccc3ccccc23)n1-c1cc(Cl)c(Cl)cc1Cl |(12.09,-56.35,;11.18,-55.1,;9.63,-55.1,;9.16,-53.63,;10.41,-52.72,;10.41,-51.17,;9.07,-50.4,;9.06,-48.85,;7.73,-51.17,;7.75,-52.7,;6.42,-53.48,;5.08,-52.71,;5.07,-51.17,;3.75,-50.41,;3.74,-48.89,;5.07,-48.11,;6.4,-48.87,;6.4,-50.4,;11.67,-53.63,;13.21,-53.62,;13.98,-54.96,;15.51,-54.95,;16.29,-56.29,;16.28,-53.62,;17.82,-53.61,;15.5,-52.28,;13.96,-52.29,;13.18,-50.96,)|

BDBM50502006

Cc1cs\c(=N/C(=O)c2ccccc2C)n1-c1cc(Cl)c(Cl)cc1Cl |(78.15,-41.22,;77.25,-39.97,;75.7,-39.97,;75.23,-38.5,;76.48,-37.59,;76.48,-36.04,;75.14,-35.27,;75.13,-33.73,;73.81,-36.04,;73.82,-37.58,;72.49,-38.35,;71.15,-37.59,;71.15,-36.04,;72.48,-35.27,;72.48,-33.73,;77.73,-38.5,;79.27,-38.5,;80.04,-39.83,;81.58,-39.82,;82.35,-41.16,;82.34,-38.49,;83.88,-38.48,;81.56,-37.16,;80.03,-37.17,;79.25,-35.84,)|

BDBM50502101

Cc1cs\c(=N/C(=O)c2ccccc2Cl)n1-c1cc(Cl)c(Cl)cc1Cl |(34.05,-56.21,;33.15,-54.96,;31.6,-54.96,;31.12,-53.49,;32.38,-52.57,;32.38,-51.02,;31.04,-50.25,;31.03,-48.71,;29.7,-51.03,;29.72,-52.56,;28.39,-53.34,;27.05,-52.57,;27.04,-51.03,;28.37,-50.26,;28.38,-48.72,;33.63,-53.49,;35.17,-53.48,;35.94,-54.81,;37.48,-54.81,;38.25,-56.14,;38.24,-53.47,;39.78,-53.47,;37.46,-52.14,;35.93,-52.15,;35.15,-50.82,)|

BDBM50502103

Cc1cs\c(=N/C(=O)c2ccco2)n1-c1cc(Cl)c(Cl)cc1Cl |(11.67,-9.98,;10.77,-8.73,;9.22,-8.73,;8.74,-7.26,;10,-6.35,;10,-4.8,;8.65,-4.03,;8.65,-2.49,;7.32,-4.8,;7.16,-6.33,;5.66,-6.66,;4.88,-5.33,;5.91,-4.18,;11.25,-7.26,;12.79,-7.26,;13.56,-8.59,;15.09,-8.59,;15.87,-9.92,;15.86,-7.25,;17.4,-7.24,;15.08,-5.92,;13.54,-5.93,;12.76,-4.6,)|

BDBM50502220

Cc1nccn1-c1ccc(\C=C2\SC(=O)NC2=O)cc1

BDBM50502013

Clc1cc(Cl)cc(Cn2cc(CSc3nc4ccccc4s3)nn2)c1

BDBM50528900

Clc1cc2nnn(C(=O)c3ccccc3)c2cc1Cl

BDBM50502039

Clc1ccc(C(Nc2ccc(NC(c3ccc(Cl)cc3Cl)n3nc(oc3=S)-c3cc4ccccc4oc3=O)cc2)n2nc(oc2=S)-c2cc(=O)oc3ccccc23)c(Cl)c1

BDBM50502037

Clc1ccc(C(Nc2ccc(Oc3ccc(NC(c4ccc(Cl)cc4Cl)n4nc(oc4=S)-c4cc5ccccc5oc4=O)cc3)cc2)n2nc(oc2=S)-c2cc3ccccc3oc2=O)c(Cl)c1

BDBM50502230

Clc1ccc(C(Nc2ccc(cc2)-c2ccc(NC(c3ccc(Cl)cc3Cl)n3nc(oc3=S)-c3cc4ccccc4oc3=O)cc2)n2nc(oc2=S)-c2cc(=O)oc3ccccc23)c(Cl)c1

BDBM50502071

Clc1ccc(CC(=O)N\N=C2/C(=O)Nc3cc(Br)ccc23)c(Cl)c1

BDBM50502070

Clc1ccc(CC(=O)N\N=C2/C(=O)Nc3cc(Br)ccc23)cc1Cl

BDBM50502146

Clc1ccc(CSc2nc(cc(n2)-c2ccc(Br)cc2)-c2ccc(Br)cc2)cc1

BDBM50502128

Clc1ccc(Cn2c(nc3ccccc23)-c2ccc(\C=C3/SC(=O)NC3=O)cc2)cc1

BDBM50502135

Clc1ccc(Cn2cc(CSc3nc4cc(Cl)ccc4s3)nn2)cc1

BDBM50502140

Clc1ccc(Cn2cc(CSc3nc4ccccc4s3)nn2)cc1

BDBM50502002

Clc1ccc(NC(=S)NNC(=O)c2ccc(cc2)-c2nnc(o2)-c2ccccc2Cl)cc1

BDBM50502092

Clc1ccc(NC(=S)NNC(=O)c2ccc(cc2)-c2nnc(o2)-c2ccccc2Cl)cc1Cl

BDBM50502025

Clc1ccc([C@H](CC(=O)c2ccccc2)c2c[nH]c3ccccc23)c(Cl)c1 |r|

BDBM173543

Clc1ccc(\C=N\NC(=O)c2cc3ccccc3[nH]2)cc1

BDBM181068

Clc1ccc(\C=N\NC(=O)c2nc(cs2)-c2cc3ccccc3oc2=O)cc1

BDBM50502089

Clc1ccc(cc1)-c1csc(NC(=O)CSc2nnc(-c3ccc(Br)cc3)c(n2)-c2ccc(Br)cc2)n1

BDBM50502213

Clc1ccc(cc1)-c1csc(NC(=O)CSc2nnc(-c3ccccc3)c(n2)-c2ccccc2)n1

BDBM50073607

Clc1ccc(cc1)-c1csc(N\N=C2/C(=O)Nc3ccccc23)n1

BDBM50502118

Clc1ccc(cc1)-c1nnc(\N=C\c2ccc(Cl)cc2Cl)s1

BDBM50502117

Clc1ccc(cc1)-c1nnc(\N=C\c2ccc(OCc3ccccc3)cc2)s1

BDBM47859

Clc1ccc(cc1)C(=O)Cn1nnc2ccccc12

BDBM50502231

Clc1ccc(cc1)C(Nc1ccc(NC(c2ccc(Cl)cc2)n2nc(oc2=S)-c2cc3ccccc3oc2=O)cc1)n1nc(oc1=S)-c1cc(=O)oc2ccccc12

BDBM50502034

Clc1ccc(cc1)C(Nc1ccc(Oc2ccc(NC(c3ccc(Cl)cc3)n3nc(oc3=S)-c3cc4ccccc4oc3=O)cc2)cc1)n1nc(oc1=S)-c1cc2ccccc2oc1=O

BDBM50502229

Clc1ccc(cc1)C(Nc1ccc(cc1)-c1ccc(NC(c2ccc(Cl)cc2)n2nc(oc2=S)-c2cc3ccccc3oc2=O)cc1)n1nc(oc1=S)-c1cc(=O)oc2ccccc12

BDBM50501992

Clc1ccc(cc1)[C@H](CC(=O)c1ccc2ccccc2c1)c1c[nH]c2ccccc12 |r|

BDBM50502059

Clc1ccc(cc1)[C@H](CC(=O)c1ccccc1)c1c[nH]c2ccccc12 |r|

BDBM50502100

Clc1ccc(cc1)\N=c1/scc(-c2ccc(Cl)cc2)n1Nc1ccccc1

BDBM50528915

Clc1ccc(cc1Cl)C(=O)Cn1nnc2ccccc12

BDBM50068234

Clc1ccc2NC(=O)C(c2c1)(c1c[nH]c2ccccc12)c1c[nH]c2ccccc12

BDBM223110

Clc1ccc2NC(=O)\C(=N/NC(=O)COc3ccc4ccc(=O)oc4c3)c2c1

BDBM50502249

Clc1ccc2NC(=O)\C(=N/Nc3nc(cs3)-c3ccc(Br)cc3)c2c1

BDBM50502019

Clc1ccc2[nH]cc(C(c3c[nH]c4ccc(Cl)cc34)c3ccc(cc3)-c3nnc(o3)-c3c[nH]c4ccccc34)c2c1

BDBM50502137

Clc1ccc2sc(SCc3cn(Cc4cc(Cl)cc(Cl)c4)nn3)nc2c1

BDBM50502136

Clc1ccc2sc(SCc3cn(Cc4ccc(Br)cc4)nn3)nc2c1

BDBM50502138

Clc1ccc2sc(SCc3cn(Cc4ccccc4)nn3)nc2c1

BDBM50502142

Clc1ccc2sc(SCc3cn(Cc4ccccc4Br)nn3)nc2c1

BDBM50502205

Clc1ccc2sc(SCc3cn(Cc4ccccc4Cl)nn3)nc2c1

BDBM50528906

Clc1cccc(C(=O)Cn2nnc3ccccc23)c1Cl

BDBM50502061

Clc1cccc(Cl)c1[C@H](CC(=O)c1ccccc1)c1c[nH]c2ccccc12 |r|

BDBM181069

Clc1cccc(\C=N\NC(=O)c2nc(cs2)-c2cc3ccccc3oc2=O)c1

BDBM50502169

Clc1cccc(c1)-c1[nH]c2ccccc2c1-c1nc(c(-c2ccccc2)n1-c1ccccc1)-c1ccccc1 |(16.13,-13.47,;15.35,-12.14,;16.12,-10.8,;15.33,-9.47,;13.8,-9.49,;13.04,-10.82,;13.82,-12.15,;11.5,-10.83,;10.6,-12.08,;9.13,-11.62,;7.79,-12.39,;6.46,-11.62,;6.46,-10.08,;7.79,-9.31,;9.12,-10.07,;10.59,-9.59,;11.05,-8.13,;12.52,-7.64,;12.51,-6.1,;11.04,-5.64,;10.55,-4.18,;11.58,-3.03,;11.1,-1.57,;9.59,-1.26,;8.56,-2.42,;9.05,-3.88,;10.14,-6.89,;8.61,-6.9,;7.83,-5.57,;6.29,-5.58,;5.53,-6.92,;6.31,-8.25,;7.85,-8.24,;13.74,-5.2,;15.15,-5.82,;16.39,-4.91,;16.22,-3.37,;14.8,-2.76,;13.57,-3.67,)|

BDBM50528918

Clc1cccc(c1)C(=O)n1nnc2cc(Cl)c(Cl)cc12

BDBM50502232

Clc1cccc(c1)C(Nc1ccc(NC(c2cccc(Cl)c2)n2nc(oc2=S)-c2cc3ccccc3oc2=O)cc1)n1nc(oc1=S)-c1cc(=O)oc2ccccc12

BDBM50502031

Clc1cccc(c1)C(Nc1ccc(cc1)-c1ccc(NC(c2cccc(Cl)c2)n2nc(oc2=S)-c2cc3ccccc3oc2=O)cc1)n1nc(oc1=S)-c1cc(=O)oc2ccccc12

BDBM50502094

Clc1ccccc1-c1nnc(o1)-c1ccc(cc1)C(=O)NNC(=S)Nc1ccc(Br)cc1

BDBM50502214

Clc1ccccc1-c1nnc(o1)-c1ccc(cc1)C(=O)NNC(=S)Nc1ccccc1Br

BDBM223124

Clc1ccccc1CN1C(=O)\C(=N/NC(=O)COc2ccc3ccc(=O)oc3c2)c2cc(Br)ccc12

BDBM223117

Clc1ccccc1CN1C(=O)\C(=N/NC(=O)COc2ccc3ccc(=O)oc3c2)c2ccccc12

BDBM50502207

Clc1ccccc1CSc1nc(cc(n1)-c1ccc(Br)cc1)-c1ccc(Br)cc1

BDBM50502145

Clc1ccccc1CSc1nc(cc(n1)-c1cccc(Br)c1)-c1ccc(Br)cc1

BDBM225288

Clc1ccccc1Cn1cc(c2ccccc12)C1(C(=O)Nc2ccccc12)c1cn(Cc2ccccc2Cl)c2ccccc12

BDBM50502099

Clc1ccccc1NC(=S)NNC(=O)c1ccc(cc1)-c1nnc(o1)-c1ccccc1Cl

BDBM50502023

Cn1cc(-c2nnc(o2)-c2ccc(cc2)C(c2c([nH]c3ccccc23)-c2ccccc2)c2c([nH]c3ccccc23)-c2ccccc2)c2ccccc12

BDBM50501995

Cn1cc(-c2nnc(o2)-c2ccc(cc2)C(c2c[nH]c3ccc(Br)cc23)c2c[nH]c3ccc(Br)cc23)c2ccccc12

BDBM50502239

Cn1cc(-c2nnc(o2)-c2ccc(cc2)C(c2c[nH]c3ccc(Cl)cc23)c2c[nH]c3ccc(Cl)cc23)c2ccccc12

BDBM50502163

Cn1cc(-c2nnc(o2)-c2ccc(cc2)C(c2c[nH]c3ccc(cc23)C#N)c2c[nH]c3ccc(cc23)C#N)c2ccccc12

BDBM50502242

Cn1cc(-c2nnc(o2)-c2ccc(cc2)C(c2c[nH]c3ccccc23)c2c[nH]c3ccc(Cl)cc23)c2ccccc12

BDBM50501994

Cn1cc(-c2nnc(o2)-c2ccc(cc2)C(c2c[nH]c3ccccc23)c2c[nH]c3ccccc23)c2ccccc12

BDBM50502241

Cn1cc(C(c2cn(C)c3ccccc23)c2ccc(cc2)-c2nnc(o2)-c2c[nH]c3ccccc23)c2ccccc12

BDBM50502020

Cn1cc(C(c2cn(C)c3ccccc23)c2ccc(cc2)-c2nnc(o2)-c2cn(C)c3ccccc23)c2ccccc12

BDBM225284

Cn1cc(c2ccccc12)C1(C(=O)Nc2ccccc12)c1cn(C)c2ccccc12

BDBM50502108

FC(F)(F)Oc1ccccc1Nc1ccnc2n(ccc12)-c1ccc(\C=C2\SC(=O)NC2=O)cc1

BDBM50502098

FC(F)(F)c1ccc(NC(=S)NNC(=O)c2ccc(cc2)-c2nnc(o2)-c2ccccc2Cl)cc1

BDBM181070

FC(F)(F)c1ccc(\C=N\NC(=O)c2nc(cs2)-c2cc3ccccc3oc2=O)cc1

BDBM50502079

FC(F)(F)c1ccc(cc1)-c1[nH]c2ccccc2c1-c1nc(c(-c2ccccc2)n1-c1ccccc1)-c1ccccc1 |(9.49,.73,;8.8,-.29,;9.35,-1.4,;10.03,-.38,;7.27,-.19,;6.59,1.2,;5.05,1.3,;4.2,.03,;4.87,-1.36,;6.41,-1.46,;2.66,.02,;1.76,-1.24,;.3,-.77,;-1.03,-1.55,;-2.38,-.77,;-2.38,.77,;-1.03,1.55,;.3,.77,;1.76,1.24,;2.23,2.7,;3.72,3.05,;3.83,4.58,;2.4,5.16,;2.03,6.66,;3.05,7.8,;2.57,9.26,;1.06,9.58,;.04,8.43,;.52,6.97,;1.41,3.98,;-.13,4.08,;-1.08,2.88,;-2.6,3.1,;-3.17,4.53,;-2.22,5.74,;-.69,5.52,;5.14,5.4,;6.54,4.78,;7.78,5.69,;7.62,7.22,;6.21,7.84,;4.97,6.93,)|

BDBM50502127

Fc1cc(\C=N\NC(=O)c2cc3ccccc3[nH]2)ccc1Br

BDBM50528901

Fc1ccc(C(=O)n2nnc3ccccc23)c(Cl)c1F

BDBM50502208

Fc1ccc(CSc2nc(cc(n2)-c2ccc(Br)cc2)-c2ccc(Br)cc2)cc1

BDBM50502256

Fc1ccc(Cn2cc(CSc3nc4cc(Cl)ccc4s3)nn2)cc1

BDBM50203369

Fc1ccc(NC(=O)Cn2cc(Cn3c(nc(c3-c3ccccc3)-c3ccccc3)-c3ccc(Br)cc3)nn2)cc1

BDBM50502093

Fc1ccc(NC(=S)NNC(=O)c2ccc(cc2)-c2nnc(o2)-c2ccccc2Cl)cc1

BDBM50502185

Fc1ccc(Nc2ccnc3n(ccc23)-c2ccc(\C=C3\SC(=O)NC3=O)cc2)cc1

BDBM50502226

Fc1ccc(\C=C2/S\C(=N/NC(=O)c3cc4ccccc4oc3=O)N(C2=O)c2ccc(Cl)cc2)cc1

BDBM50502192

Fc1ccc(\C=C2/S\C(=N/NC(=O)c3cc4ccccc4oc3=O)N(C2=O)c2cccc(Cl)c2)cc1

BDBM50502225

Fc1ccc(\C=C2/S\C(=N/NC(=O)c3cc4ccccc4oc3=O)N(C2=O)c2ccccc2Cl)cc1

BDBM50502176

Fc1ccc(\C=N\NC(=O)c2cc3ccccc3oc2=O)cc1

BDBM50502003

Fc1ccc(cc1)-c1csc(NC(=O)CSc2nnc(-c3ccc(Br)cc3)c(n2)-c2ccc(Br)cc2)n1

BDBM50502082

Fc1ccc(cc1)-c1csc(NC(=O)CSc2nnc(-c3ccc(F)cc3)c(n2)-c2ccc(F)cc2)n1

BDBM50502086

Fc1ccc(cc1)-c1csc(NC(=O)CSc2nnc(-c3ccccc3)c(n2)-c2ccccc2)n1

BDBM50502073

Fc1ccc(cc1)-c1csc(N\N=C2/C(=O)Nc3ccc(F)cc23)n1

BDBM50073608

Fc1ccc(cc1)-c1csc(N\N=C2/C(=O)Nc3ccccc23)n1

BDBM50203409

Fc1ccc(cc1)-c1nc(c(-c2ccccc2)n1Cc1cn(CC(=O)Nc2ccc(Cl)cc2Cl)nn1)-c1ccccc1

BDBM50502212

Fc1ccc(cc1)-c1nnc(SCC(=O)Nc2nc(cs2)-c2ccc(Br)cc2)nc1-c1ccc(F)cc1

BDBM50502083

Fc1ccc(cc1)-c1nnc(SCC(=O)Nc2nc(cs2)-c2ccc(Cl)cc2)nc1-c1ccc(F)cc1

BDBM50502188

Fc1ccc(cc1)-c1nnc(SCC(=O)Nc2nc(cs2)-c2ccccc2)nc1-c1ccc(F)cc1

BDBM50528914

Fc1ccc(cc1)C(=O)n1nnc2ccccc12

BDBM50502174

Fc1ccc(cc1)C(Nc1ccc(NC(c2ccc(F)cc2)n2nc(oc2=S)-c2cc3ccccc3oc2=O)cc1)n1nc(oc1=S)-c1cc(=O)oc2ccccc12

BDBM223109

Fc1ccc2NC(=O)\C(=N/NC(=O)COc3ccc4ccc(=O)oc4c3)c2c1

BDBM50502177

Fc1ccc2[nH]c(c(-c3nc(c(-c4ccccc4)n3-c3cccc(Cl)c3)-c3ccccc3)c2c1)-c1ccccc1 |(26.82,-29.36,;28.15,-30.13,;28.15,-31.67,;29.48,-32.44,;30.82,-31.67,;32.29,-32.13,;33.19,-30.88,;32.28,-29.64,;32.74,-28.18,;34.21,-27.69,;34.2,-26.15,;32.73,-25.69,;32.24,-24.23,;33.27,-23.08,;32.79,-21.62,;31.28,-21.31,;30.25,-22.47,;30.74,-23.93,;31.83,-26.94,;30.3,-26.95,;29.54,-28.29,;28.01,-28.3,;27.22,-26.97,;27.98,-25.63,;27.21,-24.3,;29.52,-25.62,;35.43,-25.25,;36.84,-25.87,;38.08,-24.96,;37.91,-23.42,;36.49,-22.81,;35.26,-23.72,;30.82,-30.12,;29.48,-29.36,;34.73,-30.87,;35.51,-32.2,;37.04,-32.19,;37.81,-30.85,;37.02,-29.52,;35.49,-29.54,)|

BDBM50502251

Fc1ccc2[nH]c(c(-c3nc(c(-c4ccccc4)n3-c3ccccc3)-c3ccccc3)c2c1)-c1ccccc1 |(50.3,-29.05,;51.63,-29.82,;51.63,-31.36,;52.96,-32.13,;54.3,-31.35,;55.77,-31.82,;56.67,-30.57,;55.76,-29.33,;56.22,-27.87,;57.69,-27.38,;57.68,-25.84,;56.21,-25.38,;55.72,-23.92,;56.75,-22.77,;56.27,-21.31,;54.76,-21,;53.73,-22.16,;54.22,-23.61,;55.31,-26.63,;53.78,-26.64,;53,-25.31,;51.46,-25.32,;50.7,-26.66,;51.49,-27.99,;53.02,-27.98,;58.91,-24.94,;60.32,-25.56,;61.56,-24.65,;61.39,-23.11,;59.97,-22.5,;58.74,-23.41,;54.3,-29.81,;52.96,-29.05,;58.21,-30.56,;58.99,-31.89,;60.52,-31.88,;61.29,-30.54,;60.5,-29.21,;58.97,-29.22,)|

BDBM223122

Fc1cccc(CN2C(=O)\C(=N/NC(=O)COc3ccc4ccc(=O)oc4c3)c3cc(Cl)ccc23)c1

BDBM223116

Fc1cccc(CN2C(=O)\C(=N/NC(=O)COc3ccc4ccc(=O)oc4c3)c3ccccc23)c1

BDBM50502000

Fc1cccc(CSc2nc(cc(n2)-c2ccc(Br)cc2)-c2ccc(Br)cc2)c1

BDBM50502261

Fc1cccc(CSc2nc(cc(n2)-c2cccc(Br)c2)-c2ccc(Br)cc2)c1

BDBM50502203

Fc1cccc(Cn2cc(CSc3nc4cc(Cl)ccc4s3)nn2)c1

BDBM50502139

Fc1cccc(Cn2cc(CSc3nc4ccccc4s3)nn2)c1

BDBM225286

Fc1cccc(Cn2cc(c3ccccc23)C2(C(=O)Nc3ccccc23)c2cn(Cc3cccc(F)c3)c3ccccc23)c1

BDBM50528919

Fc1cccc(F)c1C(=O)n1nnc2ccccc12

BDBM50502097

Fc1cccc(NC(=S)NNC(=O)c2ccc(cc2)-c2nnc(o2)-c2ccccc2Cl)c1

BDBM50502049

Fc1cccc(\C=N\NC(=O)c2cc3ccccc3oc2=O)c1

BDBM60591

Fc1cccc(\C=N\NC(=O)c2nc(cs2)-c2cc3ccccc3oc2=O)c1

BDBM223121

Fc1ccccc1CN1C(=O)\C(=N/NC(=O)COc2ccc3ccc(=O)oc3c2)c2cc(Cl)ccc12

BDBM223115

Fc1ccccc1CN1C(=O)\C(=N/NC(=O)COc2ccc3ccc(=O)oc3c2)c2ccccc12

BDBM50502257

Fc1ccccc1CSc1nc(cc(n1)-c1ccc(Br)cc1)-c1ccc(Br)cc1

BDBM50502141

Fc1ccccc1Cn1cc(CSc2nc3cc(Cl)ccc3s2)nn1

BDBM225289

Fc1ccccc1Cn1cc(c2ccccc12)C1(C(=O)Nc2ccccc12)c1cn(Cc2ccccc2F)c2ccccc12

BDBM50502217

Fc1ccccc1NC(=S)NNC(=O)c1ccc(cc1)-c1nnc(o1)-c1ccccc1Cl

BDBM50502260

Fc1ccccc1\C=N\NC(=O)c1cc2ccccc2oc1=O

BDBM181071

Fc1ccccc1\C=N\NC(=O)c1nc(cs1)-c1cc2ccccc2oc1=O

BDBM50502240

N#Cc1ccc2[nH]cc(C(c3c[nH]c4ccc(cc34)C#N)c3ccc(cc3)-c3nnc(o3)-c3c[nH]c4ccccc34)c2c1

BDBM50502005

N(\N=C\c1cccc2ccccc12)c1nc(cs1)-c1ccc(cc1)-c1ccccc1

BDBM50501988

Nc1c(C(c2ccc(O)cc2)c2c(N)c3ccccc3oc2=O)c(=O)oc2ccccc12

BDBM50501987

Nc1c(C(c2ccc(cc2)[N+]([O-])=O)c2c(N)c3ccccc3oc2=O)c(=O)oc2ccccc12

BDBM50502045

Nc1c(C(c2cccc(Br)c2)c2c(N)c3ccccc3oc2=O)c(=O)oc2ccccc12

BDBM50502235

Nc1c(C(c2cccc(Cl)c2)c2c(N)c3ccccc3oc2=O)c(=O)oc2ccccc12

BDBM50502044

Nc1c(C(c2cccc(F)c2)c2c(N)c3ccccc3oc2=O)c(=O)oc2ccccc12

BDBM50502234

Nc1c(C(c2ccccc2)c2c(N)c3ccccc3oc2=O)c(=O)oc2ccccc12

BDBM50502155

Nc1c(C(c2ccccc2Cl)c2c(N)c3ccccc3oc2=O)c(=O)oc2ccccc12

BDBM50502043

Nc1c(C(c2ccccc2F)c2c(N)c3ccccc3oc2=O)c(=O)oc2ccccc12

BDBM50528905

Nc1cc(ccc1Cl)C(=O)n1nnc2ccccc12

BDBM50463893

Nc1ccn(C2OC(CO)[C@@H](O)[C@H]2O)c(=O)n1 |r|

BDBM50502223

Nc1nnc(s1)-c1c2ccccc2cc2ccccc12

BDBM50502114

Nc1nnc(s1)-c1cc2ccccc2cc1O

BDBM50502110

Nc1nnc(s1)-c1ccc(Cl)c(OCc2ccccc2)c1

BDBM50440130

Nc1nnc(s1)-c1ccc(Cl)cc1

BDBM50502009

Nc1nnc(s1)-c1ccc(Cl)cc1Cl

BDBM50502115

Nc1nnc(s1)-c1ccc(O)cc1

BDBM50502109

Nc1nnc(s1)-c1ccc(OCc2ccccc2)cc1

BDBM50502113

Nc1nnc(s1)-c1ccc(cc1)[N+]([O-])=O

BDBM50502111

Nc1nnc(s1)-c1cccc(c1)[N+]([O-])=O

BDBM50502221

Nc1nnc(s1)-c1ccccc1[N+]([O-])=O

BDBM223114

O=C(COc1ccc2ccc(=O)oc2c1)N\N=C1/C(=O)N(Cc2ccccc2)c2ccccc12

BDBM223106

O=C(COc1ccc2ccc(=O)oc2c1)N\N=C1/C(=O)Nc2ccccc12

BDBM50502195

O=C(CSc1nnc(-c2ccccc2)c(n1)-c1ccccc1)Nc1nc(cs1)-c1ccccc1

BDBM50502165

O=C(C[C@@H](c1cccs1)c1c[nH]c2ccccc12)c1ccc2ccccc2c1 |r|

BDBM50502060

O=C(C[C@@H](c1cccs1)c1c[nH]c2ccccc12)c1ccccc1 |r|

BDBM50502058

O=C(C[C@H](c1c[nH]c2ccccc12)c1ccccc1)c1ccc2ccccc2c1 |r|

BDBM50502024

O=C(C[C@H](c1c[nH]c2ccccc12)c1ccccc1)c1ccccc1 |r|

BDBM50528922

O=C(Cn1nnc2ccccc12)c1ccc(cc1)-c1ccccc1

BDBM50528897

O=C(Cn1nnc2ccccc12)c1ccccc1

BDBM50502048

O=C(N\N=C\c1ccccc1)c1cc2ccccc2oc1=O

BDBM50502054

O=C(N\N=C\c1ccccn1)c1cc2ccccc2oc1=O

BDBM50502055

O=C(N\N=C\c1ccncc1)c1cc2ccccc2oc1=O

BDBM32701

O=C(c1ccccc1)n1nnc2ccccc12

BDBM50502228

O=C1CSC(=O)N1

BDBM50502191

O=C1NC(=O)\C(S1)=C/c1ccc(cc1)-n1cnc2ccccc12

BDBM50502105

O=C1NC(=O)\C(S1)=C/c1ccc(cc1)-n1ncc2ccccc12

BDBM225281

O=C1Nc2ccccc2C1(c1c[nH]c2ccccc12)c1c[nH]c2ccccc12

BDBM225285

O=C1Nc2ccccc2C1(c1cn(Cc2ccccc2)c2ccccc12)c1cn(Cc2ccccc2)c2ccccc12

BDBM50502107

OC(=O)CN1C(=O)S\C(=C\c2ccc(cc2)-n2ccc3c(Br)ccnc23)C1=O

BDBM50502210

OC(COc1cc2ccccc2oc1=O)CSc1nnc(-c2ccc(F)cc2)c(n1)-c1ccc(F)cc1

BDBM50502152

OC(COc1cc2ccccc2oc1=O)CSc1nnc(-c2cccc(Br)c2)c(n1)-c1cccc(Br)c1

BDBM50502162

OC(COc1cc2ccccc2oc1=O)CSc1nnc(-c2ccco2)c(n1)-c1ccco1

BDBM50502001

OC(COc1ccc2ccc(=O)oc2c1)CSc1nnc(-c2ccc(F)cc2)c(n1)-c1ccc(F)cc1

BDBM50502150

OC(COc1ccc2ccc(=O)oc2c1)CSc1nnc(-c2cccc(F)c2)c(n1)-c1cccc(F)c1

BDBM50502149

OC(COc1ccc2ccc(=O)oc2c1)CSc1nnc(-c2ccccc2)c(n1)-c1ccccc1

BDBM50502151

OC(COc1ccc2ccc(=O)oc2c1)CSc1nnc(-c2ccco2)c(n1)-c1ccco1

BDBM50457919

OC1=C(C(=O)C=C(C1=O)c1ccc(O)cc1)c1ccc(O)cc1 |c:5,t:1|

BDBM50453556

OC1=C(C(=O)O\C1=C/c1ccc(O)cc1)c1ccc(O)cc1 |t:1|

BDBM50180624

OC1=C(CCC\C1=C/c1ccc(O)c(O)c1)C(=O)c1ccccc1 |t:1|

BDBM18351

OC[C@H]1NC[C@H](O)[C@@H](O)[C@@H]1O

BDBM50519383

OC[C@H]1OC(Oc2ccc3ccc(=O)oc3c2-c2c(O)ccc3cc(Oc4ccc5ccc(=O)oc5c4)c(=O)oc23)[C@H](O)[C@@H](O)[C@@H]1O |r,wU:43.49,2.1,wD:41.47,45.52,(12.71,-16.7,;14.04,-17.48,;14.02,-19.02,;15.36,-19.8,;15.35,-21.34,;16.68,-22.12,;18.02,-21.35,;18.02,-19.8,;19.35,-19.03,;20.68,-19.8,;22.02,-19.03,;23.35,-19.8,;23.35,-21.34,;24.69,-22.11,;22.02,-22.11,;20.68,-21.34,;19.36,-22.11,;19.36,-23.65,;18.01,-24.43,;16.67,-23.66,;18.02,-25.97,;19.35,-26.73,;20.69,-25.97,;22.02,-26.73,;23.35,-25.97,;24.68,-26.74,;26.02,-25.97,;26.02,-24.43,;27.35,-23.65,;28.69,-24.43,;30.02,-23.66,;31.35,-24.42,;31.35,-25.96,;32.68,-26.73,;30.02,-26.73,;28.69,-25.96,;27.36,-26.74,;23.35,-24.43,;24.69,-23.66,;22.02,-23.66,;20.69,-24.43,;14.01,-22.1,;14,-23.65,;12.68,-21.32,;11.34,-22.08,;12.69,-19.78,;11.36,-19,)|

BDBM50519380

OC[C@H]1OC(Oc2ccc3ccc(=O)oc3c2-c2c(O)ccc3ccc(=O)oc23)[C@H](O)[C@@H](O)[C@@H]1O |r,wU:31.35,2.1,wD:29.33,33.38,(16.69,-16.81,;18.02,-17.58,;18.01,-19.12,;19.33,-19.91,;19.33,-21.44,;20.65,-22.22,;21.99,-21.46,;21.99,-19.91,;23.32,-19.14,;24.65,-19.91,;25.99,-19.14,;27.32,-19.91,;27.32,-21.45,;28.65,-22.22,;25.99,-22.22,;24.65,-21.45,;23.33,-22.22,;23.33,-23.76,;21.99,-24.53,;20.66,-23.76,;22,-26.07,;23.32,-26.84,;24.66,-26.06,;25.99,-26.84,;27.32,-26.07,;27.32,-24.53,;28.65,-23.76,;25.99,-23.76,;24.66,-24.53,;17.99,-22.21,;17.98,-23.75,;16.66,-21.43,;15.32,-22.19,;16.67,-19.89,;15.34,-19.11,)|

BDBM50236527

O[C@@H]1Cc2c(O)cc(O)cc2O[C@H]1c1ccc(O)c(O)c1 |r|

BDBM50453553

O\C(\C=C\c1cc(O)ccc1O)=C/C(=O)c1cc(O)ccc1O

BDBM50453555

O\C(\C=C\c1cc(O)ccc1O)=C/C(=O)c1ccc(O)cc1O

BDBM50453527

O\C(\C=C\c1ccc(O)c(O)c1)=C/C(=O)c1cc(Cl)ccc1O

BDBM50453547

O\C(\C=C\c1ccc(O)cc1O)=C/C(=O)c1ccccc1O

BDBM50453551

O\C(\C=C\c1cccc(O)c1)=C/C(=O)c1cc(Cl)ccc1O

BDBM50453552

O\C(\C=C\c1ccco1)=C/C(=O)c1cc(O)ccc1O

BDBM181062

Oc1c(Cl)cc(Cl)cc1\C=N\NC(=O)c1nc(cs1)-c1cc2ccccc2oc1=O

BDBM173531

Oc1cc(O)c(\C=N\NC(=O)c2cc3ccccc3[nH]2)c(O)c1

BDBM7460

Oc1cc(O)c2c(c1)oc(-c1ccc(O)c(O)c1)c(O)c2=O

BDBM173535

Oc1cc(O)cc(\C=N\NC(=O)c2cc3ccccc3[nH]2)c1

BDBM50502190

Oc1cc(O)cc(c1)-c1nnc(o1)-c1ccc(\C=C2/C(=O)Nc3cc(Cl)ccc23)cc1

BDBM173530

Oc1cc(\C=N\NC(=O)c2cc3ccccc3[nH]2)cc(O)c1O

BDBM50502178

Oc1ccc(Br)cc1-c1nc2cc(Cl)ccc2s1

BDBM50428629

Oc1ccc(C=CC(=O)CC(=O)c2ccccc2O)cc1O |w:6.6|

BDBM181064

Oc1ccc(Cl)cc1\C=N\NC(=O)c1nc(cs1)-c1cc2ccccc2oc1=O

BDBM50524727

Oc1ccc(NC(=O)Cn2cc(COc3cc(O)c4c(c3)oc3cc(Br)ccc3c4=O)nn2)c(O)c1

BDBM50524737

Oc1ccc(NC(=O)Cn2cc(COc3cc(O)c4c(c3)oc3cc(Br)ccc3c4=O)nn2)cc1O

BDBM50524725

Oc1ccc(NC(=O)Cn2cc(COc3cc(O)c4c(c3)oc3cc(O)ccc3c4=O)nn2)c(O)c1

BDBM50524716

Oc1ccc(NC(=O)Cn2cc(COc3cc(O)c4c(c3)oc3ccc(Br)cc3c4=O)nn2)cc1O

BDBM50524726

Oc1ccc(NC(=O)Cn2cc(COc3cc(O)c4c(c3)oc3ccc(O)cc3c4=O)nn2)c(O)c1

BDBM173532

Oc1ccc(O)c(\C=N\NC(=O)c2cc3ccccc3[nH]2)c1

BDBM50502179

Oc1ccc(O)c(\C=N\NC(=O)c2nc(cs2)-c2cc3ccccc3oc2=O)c1

BDBM50453554

Oc1ccc(\C=C2/CCC\C(=C/c3ccccc3)C2=O)cc1

BDBM50453550

Oc1ccc(\C=C2/CCC\C(=C/c3ccccc3)C2=O)cc1O

BDBM173537

Oc1ccc(\C=N\NC(=O)c2cc3ccccc3[nH]2)cc1

BDBM173533

Oc1ccc(\C=N\NC(=O)c2cc3ccccc3[nH]2)cc1O

BDBM50502254

Oc1ccc(\C=N\NC(=O)c2cc3ccccc3oc2=O)c(O)c1

BDBM181060

Oc1ccc(\C=N\NC(=O)c2nc(cs2)-c2cc3ccccc3oc2=O)cc1

BDBM181063

Oc1ccc(\C=N\NC(=O)c2nc(cs2)-c2cc3ccccc3oc2=O)cc1F

BDBM181067

Oc1ccc(\C=N\NC(=O)c2nc(cs2)-c2cc3ccccc3oc2=O)cc1O

BDBM50502187

Oc1ccc(\C=N\c2nnc(s2)-c2ccc(Cl)cc2)cc1

BDBM50524723

Oc1ccc2c(c1)oc1cc(OCc3cn(CC(=O)Nc4ccc(O)c(O)c4)nn3)cc(O)c1c2=O

BDBM50524724

Oc1ccc2oc3cc(OCc4cn(CC(=O)Nc5ccc(O)c(O)c5)nn4)cc(O)c3c(=O)c2c1

BDBM50453548

Oc1cccc(\C=C2/CCC\C(=C/c3ccccc3)C2=O)c1

BDBM173534

Oc1cccc(\C=N\NC(=O)c2cc3ccccc3[nH]2)c1O

BDBM50502057

Oc1cccc(\C=N\NC(=O)c2cc3ccccc3oc2=O)c1O

BDBM50528912

Oc1ccccc1C(=O)Cn1nnc2ccccc12

BDBM50502182

Oc1ccccc1C(=O)N\N=C1/C(=O)Nc2cc(Br)ccc12

BDBM173538

Oc1ccccc1\C=N\NC(=O)c1cc2ccccc2[nH]1

BDBM50502253

Oc1ccccc1\C=N\NC(=O)c1cc2ccccc2oc1=O

BDBM181059

Oc1ccccc1\C=N\NC(=O)c1nc(cs1)-c1cc2ccccc2oc1=O

BDBM50453558

[#6]-[#8]-[#6@@H]-1-[#8]-[#6](=O)-[#6](-[#6]-c2ccc(-[#8])c(-[#6]\[#6]=[#6](\[#6])-[#6])c2)=[#6]-1-c1ccc(-[#8])cc1 |r,c:20|

BDBM50453559

[#6]-[#8]-[#6@H]-1-[#8]-[#6](=O)-[#6](-[#6]-c2ccc(-[#8])c(-[#6]\[#6]=[#6](\[#6])-[#6])c2)=[#6]-1-c1ccc(-[#8])cc1 |r,c:20|

BDBM50453566

[#6]-[#8]-[#6](=O)[C@]1([#6]-c2ccc(-[#8])c(-[#6]\[#6]=[#6](\[#6])-[#6])c2)[#8]-[#6](=O)-[#6](-[#8])=[#6]1-c1ccc(-[#8])cc1 |r,c:23|

BDBM50454320

[#6]-[#8]-c1c(-[#8])cc2oc3cc(-[#8])c(-[#6]-[#6]C([#6])([#6])[#8])c(-[#8])c3c(=O)c2c1-[#6]\[#6]=[#6](\[#6])-[#6]

BDBM50511100

[#6]-[#8]-c1c(-[#8])cc2oc3cc(-[#8])c(-[#6]\[#6]=[#6](/[#6])-[#6]-[#8])c(-[#8])c3c(=O)c2c1-[#6]\[#6]=[#6](/[#6])-[#6]-[#6]\[#6]=[#6](\[#6])-[#6]

BDBM50370158

[#6]-[#8]-c1c(-[#8])cc2oc3cc(-[#8])c(-[#6]\[#6]=[#6](\[#6])-[#6])c(-[#8])c3c(=O)c2c1-[#6]\[#6]=[#6](/[#6])-[#6]-[#6]\[#6]=[#6](\[#6])-[#6]

BDBM50214969

[#6]-[#8]-c1c(-[#8])cc2oc3cc(-[#8])c(-[#6]\[#6]=[#6](\[#6])-[#6])c(-[#8])c3c(=O)c2c1-[#6]\[#6]=[#6](\[#6])-[#6]

BDBM50311741

[#6]-[#8]-c1c(-[#8])cc2oc3cc4-[#8]C([#6])([#6])[#6]=[#6]-c4c(-[#8])c3c(=O)c2c1-[#6]\[#6]=[#6](\[#6])-[#6] |c:15|

BDBM50457902

[#6]-[#8]-c1cc(-c2ccc(-[#8])cc2)c(-[#8]-[#6])c(-[#8])c1-c1ccc(-[#8])c(-[#6]\[#6]=[#6](\[#6])-[#6])c1

BDBM50457911

[#6]-[#8]-c1cc(-c2ccc(-[#8])cc2)c(-[#8]-[#6])c(-[#8])c1-c1ccc(-[#8]-[#6]\[#6]=[#6](/[#6])-[#6])cc1

BDBM50457892

[#6]-[#8]-c1cc(-c2ccc(-[#8])cc2)c(-[#8]-[#6])c(-[#8]-[#6]\[#6]=[#6](\[#6])-[#6])c1-c1ccc(-[#8])cc1

BDBM50457910

[#6]-[#8]-c1cc(-c2ccc(-[#8]-[#6]\[#6]=[#6](\[#6])-[#6])cc2)c(-[#8]-[#6])c(-[#8])c1-c1ccc(-[#8])cc1

BDBM50457912

[#6]-[#8]-c1cc(-c2ccc(-[#8]-[#6]\[#6]=[#6](\[#6])-[#6])cc2)c(-[#8]-[#6])c(-[#8]-[#6]\[#6]=[#6](\[#6])-[#6])c1-c1ccc(-[#8])cc1

BDBM50241454

[#6]-[#8]-c1cc2oc3cc(-[#8])c(-[#8]-[#6])c(-[#6]\[#6]=[#6](\[#6])-[#6])c3c(=O)c2c(-[#8])c1-[#6]\[#6]=[#6](\[#6])-[#6]

BDBM50454317

[#6]\[#6](-[#6])=[#6]\[#6]-[#6]-[#6](=[#6])-[#6](-[#8])-[#6]-c1c(-[#8])c(-[#6]\[#6]=[#6](\[#6])-[#6])c(-[#8])c2c1oc1ccc(-[#8])cc1c2=O

BDBM50454321

[#6]\[#6](-[#6])=[#6]\[#6]-[#6]C([#6])([#8])[#6]-1-[#6]-c2c(-[#8]-1)c(-[#6]\[#6]=[#6](\[#6])-[#6])c(-[#8])c1c2oc2ccc(-[#8])cc2c1=O

BDBM50511103

[#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-[#6]C([#6])([#8])[#6]-[#6]-c1c(-[#8])c(-[#8])cc2oc3cc(-[#8])cc(-[#8])c3c(=O)c12

BDBM50511101

[#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-[#6]C([#6])([#8])[#6]-[#6]-c1c(-[#8])c(-[#8])cc2oc3cc(-[#8])cc(-[#8])c3c(=O)c12

BDBM50511102

[#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-c1c(-[#8])c(-[#8])cc2oc3cc(-[#8])cc(-[#8])c3c(=O)c12

BDBM50454319

[#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-[#8]-c1cc2oc3ccc(-[#8])cc3c(=O)c2c(-[#8])c1-[#6]\[#6]=[#6](\[#6])-[#6]

BDBM50454323

[#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-[#8]-c1ccc2oc3cc(-[#8])cc(-[#8])c3c(=O)c2c1

BDBM50454316

[#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-c1c(-[#8])c(-[#6]-[#6](-[#8])-[#6](-[#6])=[#6])c(-[#8])c2c1oc1ccc(-[#8])cc1c2=O

BDBM50346335

[#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-c1c(-[#8])c(-[#6]\[#6]=[#6](\[#6])-[#6])c(-[#8])c2c1oc1ccc(-[#8])cc1c2=O

BDBM50346334

[#6]\[#6](-[#6])=[#6]\[#6]-c1c(-[#8])c(-[#6]\[#6]=[#6](\[#6])-[#6])c2oc3ccc(-[#8])cc3c(=O)c2c1-[#8]

BDBM50241453

[#6]\[#6](-[#6])=[#6]\[#6]-c1c(-[#8])cc2oc3cc(-[#8])c(-[#8])c(-[#6]\[#6]=[#6](\[#6])-[#6])c3c(=O)c2c1-[#8]

BDBM50519374

[H][C@@]1(O[C@H]2[C@H](Oc3cc(Oc4cc5cc(OC)c(O)cc5oc4=O)cc4oc(=O)ccc34)O[C@H](CO)[C@@H](O)[C@@H]2O)O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O |r|

BDBM50456752

[H][C@@]12COC(=CC1=CC(=O)[C@@](C)(O)[C@H]2OC(=O)c1c(C)cc(O)cc1O)C(=O)OC |r,c:4,7|

BDBM50456749

[H][C@@]12COC(=CC1=CC(=O)[C@@](C)(O)[C@H]2OC(=O)c1c(C)cc(O)cc1O)C(OC)OC |r,c:4,7|

BDBM50456750

[H][C@@]12COC(CCC(=O)OC)=CC1=CC(=O)[C@@](C)(O)[C@H]2OC(=O)c1c(C)cc(O)cc1O |r,c:10,13|

BDBM50456748

[H][C@@]12COC(\C=C\C(O)=O)=CC1=CC(=O)[C@@](C)(O)[C@H]2OC(=O)c1c(C)cc(O)cc1O |r,c:9,12|

BDBM50456754

[H][C@@]12COC(\C=C\C=O)=CC1=CC(=O)[C@@](C)(O)[C@H]2OC(=O)c1c(C)cc(O)cc1O |r,c:8,11|

BDBM50456753

[H][C@@]12COC(\C=C\[C@H](C)O)=CC1=CC(=O)[C@@](C)(O)[C@H]2OC(=O)c1c(C)cc(O)cc1O |r,c:9,12|

BDBM50502095

[O-][N+](=O)c1ccc(NC(=S)NNC(=O)c2ccc(cc2)-c2nnc(o2)-c2ccccc2Cl)cc1

BDBM50502252

[O-][N+](=O)c1ccc(\C=N\NC(=O)c2cc3ccccc3oc2=O)cc1

BDBM50502186

[O-][N+](=O)c1ccc(\C=N\c2nnc(s2)-c2ccc(Cl)cc2)cc1

BDBM50528903

[O-][N+](=O)c1ccc(cc1)C(=O)n1nnc2ccccc12

BDBM50501991

[O-][N+](=O)c1ccc(cc1)C(Nc1ccc(NC(c2ccc(cc2)[N+]([O-])=O)n2nc(oc2=S)-c2cc3ccccc3oc2=O)cc1)n1nc(oc1=S)-c1cc(=O)oc2ccccc12

BDBM50502036

[O-][N+](=O)c1ccc(cc1)C(Nc1ccc(Oc2ccc(NC(c3ccc(cc3)[N+]([O-])=O)n3nc(oc3=S)-c3cc4ccccc4oc3=O)cc2)cc1)n1nc(oc1=S)-c1cc2ccccc2oc1=O

BDBM50502030

[O-][N+](=O)c1ccc(cc1)C(Nc1ccc(cc1)-c1ccc(NC(c2ccc(cc2)[N+]([O-])=O)n2nc(oc2=S)-c2cc3ccccc3oc2=O)cc1)n1nc(oc1=S)-c1cc(=O)oc2ccccc12

BDBM223112

[O-][N+](=O)c1ccc2NC(=O)\C(=N/NC(=O)COc3ccc4ccc(=O)oc4c3)c2c1

BDBM50502090

[O-][N+](=O)c1cccc(NC(=S)NNC(=O)c2ccc(cc2)-c2nnc(o2)-c2ccccc2Cl)c1

BDBM50502008

[O-][N+](=O)c1cccc(c1)-c1nnc(\N=C\c2ccc(Cl)cc2Cl)s1

BDBM50528907

[O-][N+](=O)c1cccc(c1)C(=O)Cn1nnc2ccccc12

BDBM50502243

[O-][N+](=O)c1cccc(c1)[C@H](CC(=O)c1ccccc1)c1c[nH]c2ccccc12 |r|

BDBM50502056

[O-][N+](=O)c1ccccc1\C=N\NC(=O)c1cc2ccccc2oc1=O

BDBM50502224

[O-][N+](=O)c1ccccc1\C=N\c1nnc(s1)-c1ccc(Cl)cc1

BDBM50502106

[O-][N+](=O)c1cnn(c1)-c1ccc(\C=C2\SC(=O)NC2=O)cc1

BDBM50502022

c1[nH]c2ccccc2c1-c1nnc(o1)-c1ccc(cc1)C(c1c([nH]c2ccccc12)-c1ccccc1)c1c([nH]c2ccccc12)-c1ccccc1

BDBM50502014

c1[nH]c2ccccc2c1C(c1c[nH]c2ccccc12)c1ccc(cc1)-c1nnc(o1)-c1c[nH]c2ccccc12