SMILES for O94806/P05129/P05771/P17252/P24723/P41743/Q02156/Q04759/Q05513/Q05655/Q15139

285 SMILES Strings for O94806/P05129/P05771/P17252/P24723/P41743/Q02156/Q04759/Q05513/Q05655/Q15139

Compound Name

SMILES String

Brc1ccc2[nH]c3cnccc3c2c1

CC(=O)Nc1cc(Cl)cc2c1nc1c[nH]ccc21

CC(C)(C)NC(=O)Nc1nc2nc(N)ncc2cc1-c1c(Cl)cccc1Cl |(4.56,-3.94,;3.23,-3.17,;1.89,-3.94,;3.23,-4.71,;3.23,-1.63,;1.89,-.86,;.56,-1.63,;1.89,.68,;.56,1.45,;-.77,.68,;-2.11,1.45,;-3.44,.68,;-4.78,1.45,;-6.11,.68,;-4.78,2.99,;-3.44,3.76,;-2.11,2.99,;-.77,3.76,;.56,2.99,;1.89,3.76,;1.89,5.3,;.56,6.07,;3.23,6.07,;4.56,5.3,;4.56,3.76,;3.23,2.99,;3.23,1.45,)|

BDBM50483783

CC(C)CC(=O)OC[C@H]1O[C@@H](OC(CO)CO)[C@H](O)[C@@H](O)[C@H]1O |r|

BDBM50218758

CC(C)n1c2ccccc2c2c3C(=O)NC(=O)c3c3c4ccccc4[nH]c3c12

BDBM50216682

CC1CNCCN1S(=O)(=O)c1cccc2cnccc12

BDBM50469590

CC1O[C@H](O)C2OC(=O)c3cc(O)c(O)c(O)c3-c3c(O)c(O)c(O)cc3C(=O)OC2C1O

BDBM50099066

CCCCCCCCCCCCCC(=O)O[C@@H]1[C@@H](C)[C@]2(O)[C@@H]3C=C(C)C(=O)[C@@]3(O)CC(CO)=C[C@H]2[C@@H]2C(C)(C)[C@]12OC(C)=O |r,c:33,t:22|

BDBM50011796

CCCCCCCCCCCCCCCCCCOCC(COP([O-])(=O)OCC[N+](C)(C)C)OC

BDBM50218755

CCCn1c2ccccc2c2c3C(=O)NC(=O)c3c3c4ccccc4[nH]c3c12

BDBM50126732

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

BDBM50130221

CCOc1c(Cl)cc2c(nc3c[nH]ccc23)c1Cl

BDBM50083639

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

BDBM50218757

CCn1c2ccccc2c2c3C(=O)NC(=O)c3c3c4ccccc4[nH]c3c12

BDBM50213786

CN(C)CCCNC(=O)CCn1c2ccccc2c2c3CNC(=O)c3c3c4ccccc4[nH]c3c12

BDBM50213789

CN1CCCC1CCNC(=O)CCn1c2ccccc2c2c3CNC(=O)c3c3c4ccccc4[nH]c3c12

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,)|

BDBM5655

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

BDBM50528416

CNC(=O)C[C@@H]1C[C@H]([C@@H](CN1)NC(=O)c1cc(c(Cl)o1)-c1c(Cl)cnn1C)c1ccc(F)c(F)c1 |r,wU:8.11,5.4,wD:7.29,(76.34,-11.8,;75,-12.56,;73.67,-11.79,;73.68,-10.25,;72.34,-12.55,;71.01,-11.78,;71.01,-10.23,;69.68,-9.47,;68.34,-10.24,;68.34,-11.77,;69.67,-12.55,;67.01,-9.46,;65.68,-10.23,;65.67,-11.77,;64.34,-9.46,;62.93,-10.08,;61.9,-8.93,;62.68,-7.6,;62.05,-6.19,;64.18,-7.92,;60.37,-9.09,;59.59,-10.42,;60.22,-11.83,;58.09,-10.1,;57.93,-8.57,;59.34,-7.94,;59.66,-6.44,;69.68,-7.94,;68.35,-7.17,;68.35,-5.62,;69.68,-4.85,;69.67,-3.31,;71.01,-5.62,;72.34,-4.84,;71.02,-7.17,)|

BDBM50130234

CNC(=O)Nc1cc(Cl)cc2c1nc1c[nH]ccc21

BDBM50214165

CN[C@@H]1CC2O[C@@](C)([C@@H]1OC)n1c3ccc(O)cc3c3c4COC(=O)c4c4c5cc(O)ccc5n2c4c13

BDBM50214168

CN[C@@H]1CC2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c(CO)c(CO)c4c5ccccc5n2c4c13

BDBM50214167

CN[C@@H]1CC2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4COC(=O)c4c4c5ccccc5n2c4c13

BDBM2579

CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13 |r|

BDBM50280450

CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4[C@H](O)NC(=O)c4c4c5ccccc5n2c4c13 |r|

BDBM50213014

CN[C@H]1CC2O[C@](C)([C@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5cc(O)ccc5n2c4c13

BDBM50228841

COC(=O)CCNCCNS(=O)(=O)c1cccc2cnccc12

BDBM50130222

COC(=O)Nc1cc(Cl)cc2c3cc[nH]cc3nc12

BDBM6760

COC(=O)[C@@]1(O)C[C@H]2O[C@]1(C)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13 |r|

BDBM50118955

COC(=O)[C@]1(O)C[C@H]2O[C@]1(C)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13

BDBM50213793

COC(=O)c1cc(NC(=O)CCn2c3ccccc3c3c4CNC(=O)c4c4c5ccccc5[nH]c4c23)cn1C

BDBM50213788

COC(=O)c1cc(cn1C)C(=O)c1cc(NC(=O)CCn2c3ccccc3c3c4CNC(=O)c4c4c5ccccc5[nH]c4c23)cn1C

BDBM50213791

COC(=O)c1cc(cn1C)C(=O)c1cc(cn1C)C(=O)c1cc(NC(=O)CCn2c3ccccc3c3c4CNC(=O)c4c4c5ccccc5[nH]c4c23)cn1C

BDBM50472528

COC1C(CO)OC(C(O)C1O)n1c2c(Cl)cccc2c2c3C(=O)N(CC(=O)CCl)C(=O)c3c3c4cccc(Cl)c4[nH]c3c12

BDBM50472530

COC1C(CO)OC(C(O)C1O)n1c2ccccc2c2c3C(=O)N(CCCCOC(=O)CBr)C(=O)c3c3c4ccccc4[nH]c3c12

BDBM50472531

COC1C(CO)OC(C(O)C1OC(=O)CBr)n1c2ccccc2c2c3C(=O)NC(=O)c3c3c4ccccc4[nH]c3c12

BDBM50472529

COC1C(CO)OC(C(OC(=O)CBr)C1O)n1c2ccccc2c2c3C(=O)NC(=O)c3c3c4ccccc4[nH]c3c12

BDBM50472526

COC1C(CO)OC(C(OC(C)=O)C1O)n1c2c(Cl)cccc2c2c3C(=O)NC(=O)c3c3c4cccc(Cl)c4[nH]c3c12

BDBM50472527

COC1C(O)C(O)C(OC1COC(=O)CBr)n1c2c(Cl)cccc2c2c3C(=O)NC(=O)c3c3c4cccc(Cl)c4[nH]c3c12

BDBM50472524

COC1C(O)C(OC(=O)CBr)C(OC1CO)n1c2c(Cl)cccc2c2c3C(=O)NC(=O)c3c3c4cccc(Cl)c4[nH]c3c12

BDBM50214166

CO[C@@H]1[C@@H](CC2O[C@]1(C)n1c3ccccc3c3c4COC(=O)c4c4c5ccccc5n2c4c13)N(C)C

BDBM50471651

CO[C@@H]1[C@@H](CO)O[C@H]([C@H](O)[C@H]1O)n1c2c(Cl)cccc2c2c3C(=O)N(C)C(=O)c3c3c4cccc(Cl)c4[nH]c3c12 |r|

BDBM50162287

CO[C@@H]1[C@@H](CO)O[C@H]([C@H](O)[C@H]1O)n1c2c(Cl)cccc2c2c3C(=O)NC(=O)c3c3c4cccc(Cl)c4[nH]c3c12 |r|

BDBM50471650

CO[C@@H]1[C@@H](CO)O[C@H]([C@H](O)[C@H]1O)n1c2ccccc2c2c3C(=O)N(C)C(=O)c3c3c4ccccc4[nH]c3c12 |r|

BDBM50472525

CO[C@@H]1[C@@H](CO)O[C@H]([C@H](O)[C@H]1O)n1c2ccccc2c2c3C(=O)NC(=O)c3c3c4ccccc4[nH]c3c12 |r|

BDBM50471649

CO[C@@H]1[C@@H](CO)O[C@H]([C@H](O)[C@H]1O)n1c2ccccc2c2c3CNC(=O)c3c3c4ccccc4[nH]c3c12.CO[C@@H]1[C@@H](CO)O[C@H]([C@H](O)[C@H]1O)n1c2ccccc2c2c3C(=O)NCc3c3c4ccccc4[nH]c3c12 |r|

BDBM50471652

CO[C@H]1[C@H](O)[C@@H](O)[C@@H](O[C@@H]1CO)n1c2c(Cl)cccc2c2c3CNC(=O)c3c3c4cccc(Cl)c4[nH]c3c12.CO[C@H]1[C@H](O)[C@@H](O)[C@@H](O[C@@H]1CO)n1c2c(Cl)cccc2c2c3C(=O)NCc3c3c4cccc(Cl)c4[nH]c3c12 |r|

BDBM50130224

COc1c(Cl)cc2c3cc[nH]cc3nc2c1Cl

BDBM50466811

COc1c(OC)c2SSSSSc2c(CCN(C)C)c1SC

BDBM50466809

COc1c(OC)c2SSSSSc2c(CCN)c1SC

BDBM50466813

COc1c2SSSc2c(CCN(C)C)c(SC)c1OC

BDBM50466810

COc1c2SSSc2c(CCN)c(SC)c1OC

BDBM50186460

COc1cc(C)c(Sc2cnc(NC(=O)c3ccc(CNC(C)C(C)(C)C)cc3)s2)cc1C(=O)N1CCN(CC1)C(C)=O

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

BDBM3443

COc1cc(OC)cc(c1)-c1cc2cnc(N)nc2nc1NC(=O)NC(C)(C)C

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,)|

BDBM50290834

COc1ccc(Oc2ccnc3cc(OC)c(OC)cc23)cc1OC

BDBM50130236

COc1ccc(cc1)C(=O)Nc1cc(Cl)cc2c3cc[nH]cc3nc12

BDBM50130244

COc1ccc2[nH]c3cnccc3c2c1

BDBM50130233

COc1ccc2[nH]c3cnccc3c2c1Br

BDBM100152

COc1ccc2c(c1)[nH]c1c(C)nccc21

BDBM50130225

COc1cccc(c1)C(=O)Nc1cc(Cl)cc2c3cc[nH]cc3nc12

BDBM50130239

COc1ccccc1C(=O)Nc1cc(Cl)cc2c3cc[nH]cc3nc12

BDBM50130217

CS(=O)(=O)Nc1cc(Cl)cc2c1nc1c[nH]ccc21

BDBM50368315

C[C@@H]1C[C@]2(OC(C)=O)[C@H]([C@@H]3C=C(CO)C[C@@]4(O)[C@@H](C=C(C)C4=O)[C@@]13O)C2(C)C |r,t:10,18|

BDBM50151366

C[C@H]1CN(CCN1)c1ccc2nc(Nc3c(C)cccc3Cl)c3cncn3c2n1

BDBM50366348

C[C@H]1CNCCN1S(=O)(=O)c1cccc2cnccc12 |r|

BDBM50086561

C[C@H]1O[C@H]([C@H](O)[C@@H](O)[C@@H]1O)n1c2cc(O)ccc2c2c3C(=O)N(NC(CO)CO)C(=O)c3c3c4ccc(O)cc4[nH]c3c12

BDBM50111434

Cc1[nH]cnc1-c1[nH]ccc2c3ccccc3nc12

BDBM3441

Cc1cc(C)c(C)c(c1C)-c1cc2cnc(N)nc2nc1NC(=O)NC(C)(C)C |(4.16,7.26,;4.16,5.72,;5.49,4.95,;5.49,3.41,;6.83,2.64,;4.16,2.64,;4.16,1.1,;2.83,3.41,;2.83,4.95,;1.49,5.72,;1.49,2.64,;.16,3.41,;-1.17,2.64,;-2.51,3.41,;-3.84,2.64,;-3.84,1.1,;-5.18,.33,;-2.51,.33,;-1.17,1.1,;.16,.33,;1.49,1.1,;2.83,.33,;2.83,-1.21,;1.49,-1.98,;4.16,-1.98,;4.16,-3.52,;2.67,-3.92,;5.49,-4.29,;4.16,-5.06,)|

BDBM50074289

Cc1cc(nnc1NCCN1CCOCC1)-c1ccccc1

BDBM50469776

Cc1ccc(=N)n(CCCCCCCCCCC(=O)Nc2ccc(nn2)-c2ccccc2)n1

BDBM50336799

Cc1ccc(cc1NC(=O)c1cccc(NC(=O)Nc2cccc(c2)C(=O)Nc2cc(ccc2C)C(=O)Nc2ccc(c3cc(cc(c23)S(O)(=O)=O)S(O)(=O)=O)S(O)(=O)=O)c1)C(=O)Nc1ccc(c2cc(cc(c12)S(O)(=O)=O)S(O)(=O)=O)S(O)(=O)=O

BDBM50111435

Cc1nccc2c3ccc(F)cc3[nH]c12

BDBM50130238

Clc1cc(Cl)c2[nH]c3cnccc3c2c1

BDBM50130229

Clc1cc(NC(=O)Cc2ccccn2)c2[nH]c3cnccc3c2c1

BDBM50130231

Clc1cc(NC(=O)N2CCOCC2)c2[nH]c3cnccc3c2c1

BDBM50130230

Clc1cc(NC(=O)c2ccccc2)c2[nH]c3cnccc3c2c1

BDBM50130223

Clc1cc(NC(=O)c2ccccn2)c2[nH]c3cnccc3c2c1

BDBM50130248

Clc1cc(NC(=O)c2cccnc2)c2[nH]c3cnccc3c2c1

BDBM50130246

Clc1cc(NC(=O)c2ccncc2)c2[nH]c3cnccc3c2c1

BDBM50130220

Clc1cc(NCc2ccccc2)c2[nH]c3cnccc3c2c1

BDBM50130226

Clc1cc(NS(=O)(=O)c2ccccc2)c2[nH]c3cnccc3c2c1

BDBM50130245

Clc1cc2c(nc3c[nH]ccc23)c(Cl)c1OCC1CC1

BDBM50130228

Clc1cc2c(nc3c[nH]ccc23)c(Cl)c1OCC1CCCCC1

BDBM50130219

Clc1cc2c3cc[nH]cc3nc2c(Cl)c1OC(=O)N1CCOCC1

BDBM50457655

Clc1ccc(-c2nc(cs2)C(=O)NNC(=O)c2ccccn2)c(Cl)c1

BDBM50130247

Clc1ccc2[nH]c3cnccc3c2c1

BDBM50054421

Clc1cccc2c1[nH]c1c3[nH]c4c(Cl)cccc4c3c3C(=O)NC(=O)c3c21

BDBM50257350

Cn1c(CNc2cccc(c2)C(=O)NCc2ccccc2C(F)(F)F)nnc1-c1ccncc1

BDBM50528409

Cn1ncc(Cl)c1-c1cc(oc1Cl)C(=O)N[C@@H]1CN[C@H](CCO)C[C@H]1c1ccc(F)c(F)c1 |r,wU:16.17,19.21,wD:24.27,(5.73,-5.85,;5.41,-7.35,;4,-7.98,;4.16,-9.51,;5.66,-9.83,;6.29,-11.24,;6.44,-8.5,;7.97,-8.34,;9,-9.49,;10.41,-8.86,;10.25,-7.33,;8.75,-7.01,;8.12,-5.6,;11.75,-9.64,;11.74,-11.18,;13.08,-8.87,;14.41,-9.65,;14.41,-11.18,;15.74,-11.96,;17.08,-11.19,;18.41,-11.96,;19.74,-11.2,;21.07,-11.97,;17.08,-9.64,;15.75,-8.88,;15.75,-7.35,;14.42,-6.58,;14.42,-5.03,;15.75,-4.26,;15.74,-2.72,;17.08,-5.03,;18.41,-4.25,;17.09,-6.58,)|

BDBM50170284

Cn1ncc(Cl)c1-c1cc(oc1Cl)C(=O)N[C@H](CN)Cc1ccc(F)c(F)c1 |r,wD:16.18,(2.37,-.54,;3.52,.49,;3.36,2.02,;4.77,2.65,;5.8,1.51,;7.33,1.67,;5.03,.17,;5.65,-1.23,;7.16,-1.55,;7.32,-3.09,;5.91,-3.71,;4.88,-2.57,;3.35,-2.73,;8.65,-3.86,;9.99,-3.09,;8.65,-5.4,;9.99,-6.17,;11.32,-5.4,;12.65,-6.17,;9.99,-7.71,;11.32,-8.48,;12.65,-7.71,;13.99,-8.48,;13.99,-10.02,;15.32,-10.79,;12.65,-10.79,;12.65,-12.33,;11.32,-10.02,)|

BDBM50218756

FC(F)(F)Cn1c2ccccc2c2c3C(=O)NC(=O)c3c3c4ccccc4[nH]c3c12

BDBM50130250

FC(F)(F)c1ccc2[nH]c3cnccc3c2c1

BDBM50130232

Fc1ccc2[nH]c3cnccc3c2c1

BDBM50130218

N#Cc1ccc2[nH]c3cnccc3c2c1

BDBM50469777

N=c1cc2CCc3ccccc3-c2nn1CCCCCCCCCCC(=O)Nc1ccc(nn1)-c1ccccc1

BDBM50469778

N=c1ccc(nn1CCCCCCCCCCC(=O)Nc1ccc(nn1)-c1ccccc1)-c1ccccc1

BDBM50228843

NC(=N)NCCC[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CO)NC(=O)CCNCCNS(=O)(=O)c1cccc2cnccc12)C(O)=O

BDBM50213026

NC(CCC(O)=O)C(=O)NCCCCCNC1=C(C(=O)NC1=O)c1cc2ccccc2[nH]1 |t:16|

BDBM50213035

NC(CCCN=C(N)N)C(=O)NCCCCCNC1=C(C(=O)NC1=O)c1cc2ccccc2[nH]1 |t:18,(15.05,-2.55,;16.15,-3.72,;17.66,-3.53,;18.41,-2.18,;19.93,-2.43,;20.89,-1.24,;22.34,-1.76,;22.64,-3.32,;23.48,-.82,;15.38,-5.06,;16.4,-6.21,;13.86,-5.23,;12.96,-3.97,;11.42,-4.14,;10.51,-2.9,;8.98,-3.06,;8.08,-1.8,;6.54,-1.97,;5.65,-.73,;4.09,-.73,;3.62,.74,;2.17,1.21,;4.88,1.65,;6.12,.74,;7.59,1.21,;3.2,-1.97,;1.66,-1.96,;1.17,-3.43,;-.23,-4.04,;-.39,-5.58,;.87,-6.47,;2.27,-5.86,;2.43,-4.32,;3.67,-3.43,)|

BDBM50213024

NC(CCCN=C(N)N)C(=O)NCCNCCCCCNC1=C(C(=O)NC1=O)c1cc2ccccc2[nH]1 |t:21,(13.58,-3.7,;15.15,-3.33,;15.75,-1.92,;14.96,-.58,;15.92,.61,;15.38,2.05,;16.55,3.05,;18.06,2.54,;16.29,4.53,;15.94,-4.66,;17.46,-4.35,;15.31,-6.08,;13.77,-6.24,;13.16,-7.65,;11.62,-7.81,;10.71,-6.57,;9.18,-6.71,;8.27,-5.48,;6.74,-5.64,;5.83,-4.39,;4.3,-4.56,;3.39,-3.3,;1.85,-3.3,;1.38,-1.83,;-.09,-1.36,;2.62,-.93,;3.86,-1.83,;5.34,-1.36,;.94,-4.56,;-.6,-4.54,;-1.07,-6.01,;-2.48,-6.64,;-2.64,-8.16,;-1.39,-9.07,;.01,-8.44,;.17,-6.92,;1.41,-6.01,)|

BDBM50213037

NC(Cc1ccccc1)C(=O)NCCCCCNC1=C(C(=O)NC1=O)c1cc2ccccc2[nH]1 |t:19|

BDBM50213025

NC(Cc1ccccc1)C(=O)NCCNCCCCCNC1=C(C(=O)NC1=O)c1cc2ccccc2[nH]1 |t:22|

BDBM50213039

NCCCCCCCNC1=C(C(=O)NC1=O)c1cc2ccccc2[nH]1 |t:9|

BDBM50213023

NCCCCCCNC1=C(C(=O)NC1=O)c1cc2ccccc2[nH]1 |t:8|

BDBM50213032

NCCCCCNC1=C(C(=O)NC1=O)c1cc2ccccc2[nH]1 |t:7|

BDBM50213038

NCCCNCCCNC1=C(C(=O)NC1=O)c1cc2ccccc2[nH]1 |t:9|

BDBM50213031

NCCNC1=C(C(=O)NC1=O)c1cc2ccccc2[nH]1 |t:4|

BDBM50213036

NCCNCCCCCNC1=C(C(=O)NC1=O)c1cc2ccccc2[nH]1 |t:10|

BDBM50213022

NCCNCCNC1=C(C(=O)NC1=O)c1cc2ccccc2[nH]1 |t:7|

BDBM50011236

NCCNS(=O)(=O)c1cccc2cnccc12

BDBM50466812

NCCc1cc(O)c(O)c2SSSSSc12

BDBM50092224

Nc1ncnc2n(cc(-c3ccc(Oc4ccccc4)cc3)c12)C1CCC(O)C1

BDBM50092228

Nc1ncnc2n(cc(-c3ccc(Oc4ccccc4)cc3)c12)C1CCCC1

BDBM50213787

O=C(CCn1c2ccccc2c2c3CNC(=O)c3c3c4ccccc4[nH]c3c12)NCC1CCOC1

BDBM50213792

O=C(CCn1c2ccccc2c2c3CNC(=O)c3c3c4ccccc4[nH]c3c12)NCCN1CCCCC1

BDBM50213790

O=C(CCn1c2ccccc2c2c3CNC(=O)c3c3c4ccccc4[nH]c3c12)NCCN1CCOCC1

BDBM50213033

O=C1NC(=O)C(=C1n1ccc2ccccc12)n1ccc2ccccc12 |c:5|

BDBM2672

O=C1NC(=O)c2c1c1c3ccccc3[nH]c1c1[nH]c3ccccc3c21

BDBM2581

O=C1NCc2c1c1c3ccccc3[nH]c1c1[nH]c3ccccc3c21

BDBM15203

O=S(=O)(N1CCNCC1)c1cccc2cnccc12

BDBM50469576

OC(=O)[C@@]1(O)C[C@@H](OC(=O)c2cc(O)c(O)c(O)c2)[C@H](OC(=O)c2cc(O)c(O)c(O)c2)[C@@H](C1)OC(=O)c1cc(O)c(O)c(O)c1 |r,wU:6.6,3.2,wD:19.20,32.36,(2.08,-17.85,;.54,-17.87,;-.24,-16.55,;-.21,-19.21,;-1.31,-18.11,;1.12,-19.99,;1.12,-21.53,;2.45,-22.3,;3.78,-21.53,;3.78,-19.99,;5.12,-22.3,;5.12,-23.82,;6.44,-24.6,;6.44,-26.14,;7.79,-23.82,;9.12,-24.59,;7.78,-22.28,;9.11,-21.51,;6.45,-21.52,;-.21,-22.29,;-.21,-23.83,;1.13,-24.58,;2.46,-23.79,;1.16,-26.12,;-.16,-26.9,;-.14,-28.44,;-1.47,-29.22,;1.2,-29.2,;1.22,-30.74,;2.53,-28.4,;3.87,-29.16,;2.51,-26.87,;-1.54,-21.53,;-1.54,-19.99,;-2.87,-22.31,;-2.91,-23.84,;-1.59,-24.65,;-4.26,-24.58,;-5.56,-23.78,;-6.91,-24.51,;-8.22,-23.7,;-6.96,-26.05,;-8.31,-26.79,;-5.64,-26.86,;-5.68,-28.4,;-4.29,-26.12,)|

BDBM50469586

OC(=O)[C@]1(C[C@@H](OC(=O)c2cc(O)c(O)c(O)c2)[C@H](OC(=O)c2cc(O)c(O)c(O)c2)[C@@H](C1)OC(=O)c1cc(O)c(O)c(O)c1)OC(=O)c1cc(O)c(O)c(O)c1 |r,wU:3.2,5.5,wD:18.19,31.35,(5.49,-4.87,;4.97,-6.33,;3.46,-6.61,;5.98,-7.5,;7.32,-8.26,;7.33,-9.8,;8.67,-10.57,;10.21,-10.49,;10.92,-9.12,;11.04,-11.79,;10.32,-13.15,;11.15,-14.45,;10.44,-15.82,;12.69,-14.38,;13.52,-15.68,;13.4,-13.01,;14.94,-12.93,;12.57,-11.71,;6,-10.58,;6.02,-12.12,;7.37,-12.87,;8.69,-12.08,;7.4,-14.41,;6.07,-15.19,;6.09,-16.73,;4.77,-17.52,;7.44,-17.48,;7.47,-19.02,;8.77,-16.68,;10.11,-17.43,;8.74,-15.15,;4.66,-9.81,;4.65,-8.28,;3.34,-10.61,;2.6,-11.97,;3.41,-13.28,;1.06,-12.01,;.26,-10.69,;-1.28,-10.73,;-2.08,-9.41,;-2.01,-12.08,;-3.55,-12.12,;-1.2,-13.4,;-1.93,-14.76,;.33,-13.35,;6.96,-6.31,;6.93,-4.77,;5.58,-4.03,;8.24,-3.97,;9.59,-4.72,;10.91,-3.92,;12.26,-4.67,;10.88,-2.38,;12.19,-1.58,;9.52,-1.64,;9.48,-.1,;8.21,-2.44,)|

BDBM50084980

OC1C(=O)[C@H](Oc2cc(O)cc(O)c12)c1ccc(O)c(O)c1 |r|

BDBM50260505

OC1C(O)C2OC(=O)c3cc(O)c(O)c(O)c3-c3c(O)c(O)c(O)cc3C(=O)CC2O[C@@H]1OC(=O)c1cc(O)c(O)c(O)c1

BDBM50260479

OC1COC2(O)C1OC(=O)C21OC2(O)C(=O)CC11C3c4c(OC23O)c(O)c(O)cc4C(=O)O[C@H]2[C@H](OC(=O)c3cc(O)c(O)c(O)c3)O[C@@H]3COC(=O)c4cc(O)c(O)c(O)c4-c4c(O)c(O)c(O)cc4C(=O)O[C@H]2[C@@H]3OC1=C |r,TLB:15:14:22.18:10.11,4:10:22.18:14.16,23:22:10.11:14.16,THB:21:22:10.11:14.16,8:10:22.18:14.16,19:18:10.11:14.16|

BDBM50260510

OC1Cc2c(O)cc(O)c([C@@H]3C(O)[C@H](Oc4cc(O)cc(O)c34)c3ccc(O)c(O)c3)c2O[C@@H]1c1ccc(O)c(O)c1

BDBM50260539

OC1Cc2c(O)cc(O)cc2O[C@@H]1c1ccc(O)c(O)c1

BDBM50054426

OC1NC(=O)c2c1c1c3ccccc3[nH]c1c1[nH]c3ccccc3c21

BDBM50259992

OC1O[C@H](COC(=O)c2cc(O)c(O)c(O)c2)[C@@H](O)[C@]1(O)COC(=O)c1cc(O)c(O)c(O)c1 |r|

BDBM50083612

OCC(CO)NN1C(=O)c2c(C1=O)c1c3c(O)cccc3n(C3OC(CO)C(O)C(O)C3O)c1c1[nH]c3ccccc3c21

BDBM50083614

OCC(CO)NN1C(=O)c2c(C1=O)c1c3cc(O)cc(O)c3n(C3OC(CO)C(O)C(O)C3O)c1c1[nH]c3c(O)cc(O)cc3c21

BDBM50083613

OCC(CO)NN1C(=O)c2c(C1=O)c1c3cc(O)ccc3n(C3OC(CO)C(O)C(O)C3O)c1c1[nH]c3c(O)cccc3c21

BDBM50083608

OCC(CO)NN1C(=O)c2c(C1=O)c1c3cc(O)ccc3n(C3OC(CO)C(O)C(O)C3O)c1c1[nH]c3cc(O)ccc3c21

BDBM50083603

OCC(CO)NN1C(=O)c2c(C1=O)c1c3cc(O)ccc3n(C3OC(CO)C(O)C(O)C3O)c1c1[nH]c3ccc(O)cc3c21

BDBM50083611

OCC(CO)NN1C(=O)c2c(C1=O)c1c3cc(O)ccc3n(C3OC(CO)C(O)C(O)C3O)c1c1[nH]c3ccccc3c21

BDBM50083599

OCC(CO)NN1C(=O)c2c(C1=O)c1c3ccc(O)cc3n(C3OC(CO)C(O)C(O)C3O)c1c1[nH]c3c(O)cc(O)cc3c21

BDBM50083609

OCC(CO)NN1C(=O)c2c(C1=O)c1c3ccc(O)cc3n(C3OC(CO)C(O)C(O)C3O)c1c1[nH]c3c(O)cccc3c21

BDBM50083600

OCC(CO)NN1C(=O)c2c(C1=O)c1c3ccc(O)cc3n(C3OC(CO)C(O)C(O)C3O)c1c1[nH]c3cc(O)ccc3c21

BDBM50083604

OCC(CO)NN1C(=O)c2c(C1=O)c1c3ccc(O)cc3n(C3OC(CO)C(O)C(O)C3O)c1c1[nH]c3ccc(O)cc3c21

BDBM50083602

OCC(CO)NN1C(=O)c2c(C1=O)c1c3ccc(O)cc3n(C3OC(CO)C(O)C(O)C3O)c1c1[nH]c3ccccc3c21

BDBM50086556

OCC(CO)NN1C(=O)c2c(C1=O)c1c3ccc(O)cc3n([C@@H]3C[C@@H](O)[C@H](O)[C@@H](CO)O3)c1c1[nH]c3cc(O)ccc3c21

BDBM50086569

OCC(CO)NN1C(=O)c2c(C1=O)c1c3ccc(O)cc3n([C@@H]3OC[C@@H](O)[C@H](O)[C@H]3O)c1c1[nH]c3cc(O)ccc3c21

BDBM50086562

OCC(CO)NN1C(=O)c2c(C1=O)c1c3ccc(O)cc3n([C@@H]3OC[C@@H](O)[C@H]3O)c1c1[nH]c3cc(O)ccc3c21

BDBM50086565

OCC(CO)NN1C(=O)c2c(C1=O)c1c3ccc(O)cc3n([C@@H]3O[C@@H](C(O)CO)[C@@H](O)[C@H]3O)c1c1[nH]c3cc(O)ccc3c21

BDBM50086566

OCC(CO)NN1C(=O)c2c(C1=O)c1c3ccc(O)cc3n([C@@H]3O[C@H](C(O)CO)[C@@H](O)[C@H]3O)c1c1[nH]c3cc(O)ccc3c21

BDBM50086560

OCC(CO)NN1C(=O)c2c(C1=O)c1c3ccc(O)cc3n([C@@H]3O[C@H](CO)[C@@H](O)[C@@H](O)[C@H]3O)c1c1[nH]c3cc(O)ccc3c21

BDBM50086575

OCC(CO)NN1C(=O)c2c(C1=O)c1c3ccc(O)cc3n([C@@H]3O[C@H](CO)[C@@H](O)[C@@H]3O)c1c1[nH]c3cc(O)ccc3c21

BDBM50086558

OCC(CO)NN1C(=O)c2c(C1=O)c1c3ccc(O)cc3n([C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]3O)c1c1[nH]c3cc(O)ccc3c21

BDBM50086570

OCC(CO)NN1C(=O)c2c(C1=O)c1c3ccc(O)cc3n([C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c1c1[nH]c3cc(O)ccc3c21

BDBM50086563

OCC(CO)NN1C(=O)c2c(C1=O)c1c3ccc(O)cc3n([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c1c1[nH]c3cc(O)ccc3c21

BDBM50403823

OCC(CO)NN1C(=O)c2c(C1=O)c1c3ccc(O)cc3n([C@@H]3O[C@H](CO)[C@@H](O[C@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@H](O)[C@H]3O)c1c1[nH]c3cc(O)ccc3c21

BDBM50086568

OCC(CO)NN1C(=O)c2c(C1=O)c1c3ccc(O)cc3n([C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)c1c1[nH]c3cc(O)ccc3c21

BDBM50086571

OCC(CO)NN1C(=O)c2c(C1=O)c1c3ccc(O)cc3n([C@@H]3O[C@H](CO)[C@H](O)[C@H]3O)c1c1[nH]c3cc(O)ccc3c21

BDBM50086555

OCC(CO)NN1C(=O)c2c(C1=O)c1c3ccc(O)cc3n([C@H]3C[C@@H](O)[C@H](O)[C@@H](CO)O3)c1c1[nH]c3cc(O)ccc3c21

BDBM50086557

OCC(CO)NN1C(=O)c2c(C1=O)c1c3ccc(O)cc3n([C@H]3C[C@H](O)[C@@H](CO)O3)c1c1[nH]c3cc(O)ccc3c21

BDBM50086576

OCC(CO)NN1C(=O)c2c(C1=O)c1c3ccc(O)cc3n([C@H]3O[C@H](CO)[C@@H](O)[C@@H](O)[C@H]3O)c1c1[nH]c3cc(O)ccc3c21

BDBM50086574

OCC(CO)NN1C(=O)c2c(C1=O)c1c3ccc(O)cc3n([C@H]3O[C@H](CO)[C@@H](O)[C@@H]3O)c1c1[nH]c3cc(O)ccc3c21

BDBM50086564

OCC(CO)NN1C(=O)c2c(C1=O)c1c3ccc(O)cc3n([C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]3O)c1c1[nH]c3cc(O)ccc3c21

BDBM50086572

OCC(CO)NN1C(=O)c2c(C1=O)c1c3ccc(O)cc3n([C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c1c1[nH]c3cc(O)ccc3c21

BDBM50086559

OCC(CO)NN1C(=O)c2c(C1=O)c1c3ccc(O)cc3n([C@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c1c1[nH]c3cc(O)ccc3c21

BDBM50086567

OCC(CO)NN1C(=O)c2c(C1=O)c1c3ccc(O)cc3n([C@H]3O[C@H](CO)[C@H](O)[C@H]3O)c1c1[nH]c3cc(O)ccc3c21

BDBM50076922

OCC(CO)NN1C(=O)c2c(C1=O)c1c3cccc(O)c3n(C3OC(CO)C(O)C(O)C3O)c1c1[nH]c3c(O)cccc3c21

BDBM50083607

OCC(CO)NN1C(=O)c2c(C1=O)c1c3cccc(O)c3n(C3OC(CO)C(O)C(O)C3O)c1c1[nH]c3cc(O)ccc3c21

BDBM50083610

OCC(CO)NN1C(=O)c2c(C1=O)c1c3cccc(O)c3n(C3OC(CO)C(O)C(O)C3O)c1c1[nH]c3ccc(O)cc3c21

BDBM50083606

OCC(CO)NN1C(=O)c2c(C1=O)c1c3cccc(O)c3n(C3OC(CO)C(O)C(O)C3O)c1c1[nH]c3ccccc3c21

BDBM50083601

OCC(CO)NN1C(=O)c2c(C1=O)c1c3ccccc3n(C3OC(CO)C(O)C(O)C3O)c1c1[nH]c3c(O)cccc3c21

BDBM50083598

OCC(CO)NN1C(=O)c2c(C1=O)c1c3ccccc3n(C3OC(CO)C(O)C(O)C3O)c1c1[nH]c3cc(O)ccc3c21

BDBM50083605

OCC(CO)NN1C(=O)c2c(C1=O)c1c3ccccc3n(C3OC(CO)C(O)C(O)C3O)c1c1[nH]c3ccc(O)cc3c21

BDBM50083597

OCC(CO)NN1C(=O)c2c(C1=O)c1c3ccccc3n(C3OC(CO)C(O)C(O)C3O)c1c1[nH]c3cccc(O)c3c21

BDBM50130242

OCCCC(=O)Nc1cc(Cl)cc2c3cc[nH]cc3nc12

BDBM50260536

OC[C@H]1O[C@@H](OC(=O)c2cc(O)c(O)c(O)c2)[C@H](O)[C@@H](O)[C@@H]1O |r|

BDBM50469569

O[C@@H]1C=C(C[C@@H](OC(=O)c2cc(O)c(O)c(O)c2)[C@@H]1O)C(O)=O |r,c:2|

BDBM50260543

O[C@@H]1C=C(C[C@@H](OC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)[C@@H]1O)C(O)=O |r,c:2|

BDBM50469566

O[C@@H]1C[C@@](O)(C[C@@H](O)[C@H]1OC(=O)c1cc(O)c(O)c(O)c1)C(O)=O |r,wU:1.0,3.22,wD:8.9,6.6,(-2.06,-3.13,;-3.39,-2.36,;-3.39,-.82,;-4.72,-.04,;-5.83,1.06,;-6.05,-.82,;-6.05,-2.36,;-7.38,-3.13,;-4.72,-3.12,;-4.72,-4.66,;-3.38,-5.41,;-2.05,-4.62,;-3.36,-6.95,;-4.67,-7.73,;-4.66,-9.26,;-5.98,-10.05,;-3.31,-10.02,;-3.29,-11.56,;-1.98,-9.23,;-.64,-9.98,;-2.01,-7.69,;-3.97,1.3,;-2.43,1.32,;-4.75,2.63,)|

BDBM50469572

O[C@@H]1C[C@](C[C@@H](O)[C@H]1OC(=O)c1cc(O)c(O)c(O)c1)(OC(=O)c1cc(O)c(O)c(O)c1)C(O)=O |wU:3.34,1.0,wD:7.8,3.21,5.5,(12.64,-4.23,;11.31,-3.47,;11.31,-1.93,;9.98,-1.15,;8.66,-1.93,;8.66,-3.47,;7.33,-4.23,;9.98,-4.22,;9.96,-5.75,;11.24,-6.5,;12.59,-5.75,;11.24,-8.03,;9.89,-8.8,;9.89,-10.34,;8.55,-11.1,;11.22,-11.12,;11.21,-12.66,;12.56,-10.36,;13.9,-11.13,;12.57,-8.82,;8.89,-.05,;7.44,-.43,;7.03,-1.92,;6.36,.67,;6.79,2.16,;5.71,3.25,;6.13,4.74,;4.22,2.88,;3.14,3.97,;3.8,1.39,;2.31,.99,;4.87,.28,;10.73,.19,;12.27,.2,;9.96,1.5,)|

BDBM50260504

O[C@@H]1C[C@](C[C@@H](OC(=O)c2cc(O)c(O)c(O)c2)[C@H]1OC(=O)c1cc(O)c(O)c(O)c1)(OC(=O)c1cc(O)c(O)c(O)c1)C(O)=O |r|

BDBM50469568

O[C@@H]1Cc2c(O)cc(O)c(C3[C@@H](O)[C@H](Oc4c3c(O)cc3O[C@@]5(Oc6c([C@@H]7[C@@H](O)[C@H](Oc8cc(O)cc(O)c78)c7ccc(O)c(O)c7)c(O)cc(O)c6C([C@H]5O)c43)c3ccc(O)c(O)c3)c3ccc(O)c(O)c3)c2O[C@@H]1c1ccc(O)c(O)c1 |THB:55:54:52.24.23:56.21.20|

BDBM50260526

O[C@@H]1Cc2c(O)cc(O)c(C3[C@@H](O)[C@H](Oc4c3c(O)cc3O[C@@]5(Oc6cc(O)cc(O)c6C([C@H]5O)c43)c3ccc(O)c(O)c3)c3ccc(O)c(O)c3)c2O[C@@H]1c1ccc(O)c(O)c1 |THB:34:33:35.21.20:23.31.24|

BDBM50240460

O[C@@H]1Cc2c(O)cc(O)c([C@@H]3[C@@H](O)[C@H](Oc4c([C@@H]5[C@@H](O)[C@H](Oc6cc(O)cc(O)c56)c5ccc(O)c(O)c5)c(O)cc(O)c34)c3ccc(O)c(O)c3)c2O[C@@H]1c1ccc(O)c(O)c1 |r|

BDBM50469583

O[C@@H]1Cc2c(O)cc3O[C@@]4(Oc5cc(O)cc(O)c5C([C@H]4O)c3c2O[C@@H]1c1ccc(O)c(O)c1)c1ccc(O)c(O)c1 |THB:21:20:22.8.7:10.18.11|

BDBM50009295

O[C@@H]1O[C@H](COC(=O)c2cc(O)c(O)c(O)c2)[C@@H](OC(=O)c2cc(O)c(O)c(O)c2)[C@H](OC(=O)c2cc(O)c(O)c(O)c2)[C@H]1OC(=O)c1cc(O)c(O)c(O)c1 |r|

BDBM50366288

O[C@@H]1[C@@H](COC(=O)c2cc(O)c(O)c(O)c2)O[C@H](OC(=O)c2cc(O)c(O)c(O)c2)[C@H](OC(=O)c2cc(O)c(O)c(O)c2)[C@H]1OC(=O)c1cc(O)c(O)c(O)c1 |r|

BDBM50260503

O[C@@H]1[C@@H](O)[C@H](OC(=O)c2cc(O)c(O)c(O)c2)[C@@H](COC(=O)c2cc(O)c(O)c(O)c2)O[C@@H]1OC(=O)c1cc(O)c(O)c(O)c1 |r|

BDBM50242279

O[C@@H]1[C@H]2COC(=O)c3cc(O)c(O)c(O)c3-c3c(O)c(O)c(O)cc3C(=O)O[C@@H]1[C@@H](O)[C@H](OC(=O)c1cc(O)c(O)c(O)c1)O2 |r|

BDBM50528415

O[C@H]([C@@H](O)C(O)=O)C(O)=O.Cn1ncc(Cl)c1-c1cc(oc1Cl)C(=O)N[C@@H]1CNCC[C@H]1c1ccc(F)c(F)c1 |r,wU:26.26,wD:1.0,2.2,31.33,(23.87,-52,;23.87,-53.52,;25.19,-54.29,;25.19,-55.81,;26.51,-53.52,;27.84,-54.29,;26.51,-52,;22.55,-54.29,;21.23,-53.52,;22.55,-55.81,;7.85,-50.48,;7.53,-51.98,;6.12,-52.61,;6.28,-54.14,;7.78,-54.46,;8.41,-55.87,;8.56,-53.13,;10.09,-52.98,;11.12,-54.12,;12.52,-53.5,;12.37,-51.97,;10.87,-51.64,;10.24,-50.24,;13.85,-54.28,;13.85,-55.82,;15.19,-53.51,;16.52,-54.28,;16.52,-55.82,;17.85,-56.59,;19.19,-55.83,;19.19,-54.28,;17.86,-53.51,;17.87,-51.98,;16.53,-51.21,;16.53,-49.66,;17.86,-48.89,;17.86,-47.35,;19.2,-49.66,;20.53,-48.88,;19.2,-51.21,)|

BDBM50469584

O[C@H]1C2OC(=O)c3c1c(O)c(O)c(O)c3-c1c(O)c(O)c(O)cc1C(=O)OC2C1OC(=O)c2cc(O)c(O)c(O)c2-c2c(O)c(O)c(O)cc2C(=O)OCC1OC(=O)c1cc(O)c(O)c(O)c1

BDBM50469581

O[C@H]1Cc2c(O)cc(O)c([C@@H]3C4OC(=O)c5c3c(O)c(O)c(O)c5-c3c(O)c(O)c(O)c5-c6c(O)c(O)c(O)cc6C(=O)OC6COC(=O)c7cc(O)c(O)c(O)c7-c7c(O)c(O)c(O)cc7C(=O)OC6C4OC(=O)c35)c2O[C@@H]1c1ccc(O)c(O)c1

BDBM50469574

O[C@H]1OC2CC(=O)c3cc(O)c(O)c(O)c3-c3c(O)c(O)c(O)cc3C(=O)OC2C2OC(=O)c3cc(O)c(O)c(O)c3-c3c(O)c(O)c(O)cc3C(=O)OC12

BDBM50469573

O[C@H]1OC2CC(=O)c3cc(O)c(O)c(O)c3-c3c(O)c(O)c4oc(=O)c5c(c(O)c(O)c6oc(=O)c3c4c56)-c3c(O)c(O)c(O)cc3C(=O)OC2C(O)C1O

BDBM50260542

O[C@H]1OC2CC(=O)c3cc(O)c(O)c(O)c3-c3c(O)c(O)c4oc(=O)c5c(c(O)c(O)c6oc(=O)c3c4c56)-c3c(O)c(O)c(O)cc3C(=O)OC2C2OC(=O)c3cc(O)c(O)c(O)c3-c3c(O)c(O)c(O)cc3C(=O)OC12

BDBM50469575

O[C@H]1O[C@H](COC(=O)c2cc(O)c(O)c(O)c2)[C@@H](OC(=O)c2cc(O)c(O)c(O)c2)[C@]1(O)COC(=O)c1cc(O)c(O)c(O)c1 |r|

BDBM50469580

O[C@H]1[C@@H](CC(=C[C@H]1OC(=O)c1cc(O)c(O)c(O)c1)C(O)=O)OC(=O)c1cc(O)c(O)c(O)c1 |r,c:4|

BDBM50460664

O[C@H]1[C@H](O)[C@@H](COC(=O)c2cc(O)c(O)c(O)c2)O[C@@H](OC(=O)c2cc(O)c(O)c(O)c2)[C@@H]1O |r|

BDBM50250504

O[C@H]1[C@H](O)[C@@H](OC(=O)c2cc(O)c(O)c(O)c2)[C@H](OC(=O)c2cc(O)c(O)c(O)c2)O[C@@H]1COC(=O)c1cc(O)c(O)c(O)c1 |r|

BDBM50366290

O[C@H]1[C@H]2[C@H](CC(O)=O)C(=O)O[C@@H]3[C@H]4COC(=O)c5cc(O)c(O)c(O)c5-c5c(O)c(O)c(O)cc5C(=O)O[C@@H]3[C@@H](OC(=O)c3cc(O)c(O)c(OC1=O)c23)[C@H](OC(=O)c1cc(O)c(O)c(O)c1)O4 |r|

BDBM50130240

Oc1c(Cl)cc2c3cc[nH]cc3nc2c1Cl

BDBM50260523

Oc1cc(O)c2CC(OC(=O)c3cc(O)c(O)c(O)c3)[C@H](Oc2c1)c1ccc(O)c(O)c1

BDBM50423642

Oc1cc(O)c2[C@@H]([C@@H](OC(=O)c3cc(O)c(O)c(O)c3)[C@H](Oc2c1)c1ccc(O)c(O)c1)c1c(O)cc(O)c2C[C@@H](OC(=O)c3cc(O)c(O)c(O)c3)[C@H](Oc12)c1ccc(O)c(O)c1 |r|

BDBM50469589

Oc1cc(O)c2[C@@H]([C@@H](OC(=O)c3cc(O)c(O)c(O)c3)[C@H](Oc2c1)c1ccc(O)c(O)c1)c1c(O)cc(O)c2[C@@H](C(OC(=O)c3cc(O)c(O)c(O)c3)[C@H](Oc12)c1ccc(O)c(O)c1)c1c(O)cc(O)c2CC(OC(=O)c3cc(O)c(O)c(O)c3)[C@H](Oc12)c1ccc(O)c(O)c1

BDBM50260524

Oc1cc(cc(O)c1O)C(=O)OC[C@@H]1O[C@@H](OC(=O)c2cc(O)c(O)c(O)c2)[C@@H](OC(=O)c2cc(O)c(O)c(O)c2)[C@@H](OC(=O)c2cc(O)c(O)c(O)c2)[C@@H]1OC(=O)c1cc(O)c(O)c(O)c1Oc1cc2c(c(O)c1O)-c1c(O)c(O)c(O)cc1C(=O)OC[C@@H]1O[C@@H](OC(=O)c3cc(O)c(O)c(O)c3)[C@@H](OC(=O)c3cc(O)c(O)c(O)c3)[C@@H](OC(=O)c3cc(O)c(O)c(O)c3)[C@@H]1OC2=O |r|

BDBM50241052

Oc1cc(cc(O)c1O)C(=O)OC[C@H]1O[C@@H](OC(=O)c2cc(O)c(O)c(O)c2)[C@H](OC(=O)c2cc(O)c(O)c(O)c2)[C@@H](OC(=O)c2cc(O)c(O)c(O)c2)[C@@H]1OC(=O)c1cc(O)c(O)c(O)c1 |r|

BDBM50260522

Oc1cc(cc(O)c1O)C(=O)O[C@@H]1O[C@H]2COC(=O)c3cc(O)c(O)c(O)c3-c3c(O)c(O)c(O)c(Oc4cc(cc(O)c4O)C(=O)O[C@@H]4O[C@H]5COC(=O)c6cc(O)c(O)c(O)c6-c6c(O)c(O)c(O)c(Oc7cc(cc(O)c7O)C(=O)O[C@@H]7O[C@H]8COC(=O)c9cc(O)c(O)c(O)c9-c9c(O)c(O)c(O)c(Oc%10cc(cc(O)c%10O)C(=O)O[C@@H]%10O[C@H]%11COC(=O)c%12cc(O)c(O)c(O)c%12-c%12c(O)c(O)c(O)cc%12C(=O)O[C@H]%11[C@@H]%11OC(=O)c%12cc(O)c(O)c(O)c%12-c%12c(O)c(O)c(O)cc%12C(=O)O[C@H]%10%11)c9C(=O)O[C@H]8[C@@H]8OC(=O)c9cc(O)c(O)c(O)c9-c9c(O)c(O)c(O)cc9C(=O)O[C@H]78)c6C(=O)O[C@H]5[C@@H]5OC(=O)c6cc(O)c(O)c(O)c6-c6c(O)c(O)c(O)cc6C(=O)O[C@H]45)c3C(=O)O[C@H]2[C@@H]2OC(=O)c3cc(O)c(O)c(O)c3-c3c(O)c(O)c(O)cc3C(=O)O[C@H]12 |r|

BDBM50460663

Oc1cc(cc(O)c1O)C(=O)O[C@@H]1O[C@H]2COC(=O)c3cc(O)c(O)c(O)c3-c3c(O)c(O)c(O)c(Oc4cc(cc(O)c4O)C(=O)O[C@@H]4O[C@H]5COC(=O)c6cc(O)c(O)c(O)c6-c6c(O)c(O)c(O)cc6C(=O)O[C@H]5[C@@H]5OC(=O)c6cc(O)c(O)c(O)c6-c6c(O)c(O)c(O)cc6C(=O)O[C@H]45)c3C(=O)O[C@H]2[C@@H]2OC(=O)c3cc(O)c(O)c(O)c3-c3c(O)c(O)c(O)cc3C(=O)O[C@H]12 |r|

BDBM50460662

Oc1cc(cc(O)c1O)C(=O)O[C@H]1OC2CC(=O)c3cc(O)c(O)c(O)c3-c3c(O)c(O)c(O)cc3C(=O)OC2C(OC(=O)c2cc(O)c(O)c(O)c2)C1OC(=O)c1cc(O)c(O)c(O)c1

BDBM50469588

Oc1cc(cc(O)c1O)C(=O)O[C@H]1OC2CC(=O)c3cc(O)c(O)c(O)c3-c3c(O)c(O)c(O)cc3C(=O)OC2C2OC(=O)c3cc(O)c(O)c(O)c3-c3c(O)c(O)c(O)cc3C(=O)OC12

BDBM50139822

Oc1cc2cccc[n+]2c2c(Cl)cccc12

BDBM50228842

[#6]-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6])-[#7]-[#6](=O)-[#6@H](-[#6])-[#7]S(=O)(=O)c1ccc(-[#7](-[#6])-[#6])c2ccccc12)-[#6](=O)-[#7]-[#6@@H](-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#8])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](-[#8])=O

BDBM50228847

[#6]-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6])-[#7]-[#6](=O)-[#6@H](-[#6])-[#7]S(=O)(=O)c1cccc2cnccc12)-[#6](=O)-[#7]-[#6@@H](-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#8])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](-[#8])=O

BDBM50228845

[#6]-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6])-[#7]S(=O)(=O)c1ccc(-[#7](-[#6])-[#6])c2ccccc12)-[#6](=O)-[#7]-[#6@@H](-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](-[#8])=O

BDBM50228844

[#6]-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6])-[#7]S(=O)(=O)c1ccc(-[#7](-[#6])-[#6])c2ccccc12)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#8])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](-[#8])=O

BDBM50228838

[#6]-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6])-[#7]S(=O)(=O)c1cccc2cnccc12)-[#6](=O)-[#7]-[#6@@H](-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](-[#8])=O

BDBM50228846

[#6]-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6])-[#7]S(=O)(=O)c1cccc2cnccc12)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#8])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](-[#8])=O

BDBM50228839

BDBM50227645

[Br-].CCCCCCCCCCCCCCCCCC1OCC(C[N+](C)(C)CCCO)O1

BDBM50227652

[Br-].CCCCCCCCCCCCCCCCOCC(COCCCCCC[N+](C)(C)C)OC

BDBM50227648

[Br-].CCCCCCCCCCCCCCCCOCC(COCCCC[N+](C)(C)C)OC

BDBM50227647

[Br-].CCCCCCCCCCCCCCCCOCC(COCCCC[N+](C)(C)C)OCC

BDBM50227643

[Br-].CCCCCCCCCCCCCCCCOCC(COCC[N+](C)(C)C)OC

BDBM50227650

[Br-].CCCCCCCCCCCCCCCCOCC(C[N+](C)(C)C)OC

BDBM50227651

[Br-].CCCCCCCCCCCCCCCCOCCC[N+](C)(C)C

BDBM50227646

[Br-].CCCCCCCCCCCCCCCCOCCC[n+]1ccccc1

BDBM50227644

[Br-].CCCCCCCCCCCCCCCCSCC(C[N+](C)(C)C)OC

BDBM50469587

[H][C@@]1(O)C2OC(=O)c3c(c(O)c(O)c(O)c13)-c1c(O)c(O)c(O)c3-c4c(O)c(O)c(O)cc4C(=O)OC4COC(=O)c5cc(O)c(O)c(O)c5-c5c(O)c(O)c(O)cc5C(=O)OC4C2OC(=O)c13

BDBM50469567

[H][C@@]12C3OC(=O)C4C(=C(O)C(=O)C14Oc1cc(O)c4C[C@H](O)[C@H](Oc4c21)c1ccc(O)c(O)c1)c1c(O)c(O)c(O)c2-c4c(O)c(O)c(O)cc4C(=O)OC4COC(=O)c5cc(O)c(O)c(O)c5-c5c(O)c(O)c(O)cc5C(=O)OC4C3OC(=O)c12 |t:7|

BDBM50469571

[H][C@@]12COC(=O)c3cc(O)c(O)c(O)c3-c3c(O)c(O)c(O)cc3C(=O)O[C@]3([H])[C@@]([H])(OC(=O)c4cc(O)c(O)c5OC6(O)C(c45)C(=CC(=O)C6(O)O)C(=O)O[C@]13[H])[C@@H](OC(=O)c1cc(O)c(O)c(O)c1)O2 |r,c:50|

BDBM50469585

[H][C@@]12COC(=O)c3cc(Oc4c(O)c(O)c(O)cc4C(O)=O)c(O)c(O)c3-c3c(O)c(O)c(O)cc3C(=O)O[C@]3([H])[C@@]([H])(OC(=O)c4cc(O)c(O)c5OC6(O)C(c45)C(=CC(=O)C6(O)O)C(=O)O[C@]13[H])[C@H](OC(=O)c1cc(O)c(O)c(O)c1)O2 |r,c:63|

BDBM50470110

[H][C@@]12C[C@@H](C)[C@]34C=C(C)[C@H](OC(=O)C(\C)=C/C)[C@@]3(O)[C@H](O)C(C)=C[C@]([H])(C4=O)[C@]1([H])C2(C)C |r,c:23,t:6|

BDBM50212473

[H][C@@]12C[C@@](O)(C(O)=O)[C@@](C)(O1)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13

BDBM50470108

[H][C@@]12C[C@@]([H])(C)[C@]34C=C(C)[C@]([H])(OC(=O)C(\C)=C/C)[C@@]3(O)[C@]([H])(O)C(CO)=C[C@]([H])(C4=O)[C@]1([H])C2(C)C |r,c:27,t:7|

BDBM50469577

[H][C@@]12OC(=O)C3=CC(=O)C(O)(O)C4(O)Oc5c(C34)c(cc(O)c5O)C(=O)O[C@@]([H])([C@@H](OC(=O)c3cc(O)c(O)c(O)c3)O[C@@H]1CO)[C@H]2O |r,t:5|

BDBM50260506

[H][C@@]12OC(=O)C3=CC(=O)C(O)(O)C4(O)Oc5c(C34)c(cc(O)c5O)C(=O)O[C@@]([H])([C@@H](OC(=O)c3cc(O)c(O)c(O)c3)O[C@@H]1COC(=O)c1cc(O)c(O)c(O)c1)[C@H]2OC(=O)c1cc(O)c(O)c(O)c1 |r,t:5|

BDBM50460666

[H][C@@]12OC(=O)[C@@]([H])(CC(O)=O)[C@]3([H])[C@H](O)C(=O)Oc4c(O)c(O)cc(c34)C(=O)O[C@@]([H])([C@@H](OC(=O)c3cc(O)c(O)c(O)c3)O[C@@H]1COC(=O)c1cc(O)c(O)c(O)c1)[C@H]2OC(=O)c1cc(O)c(O)c(O)c1 |r|

BDBM50460665

[H][C@@]12OC(=O)c3cc(O)c(O)c(O)c3-c3c(O)c(O)c(O)cc3C(=O)OC[C@@]1(CO)C1CC[C@]3(C)C(CC=C4C5CC(C)(C)CC[C@@]5(CC[C@@]34C)C(O)=O)[C@@]1(C)C[C@H]2O |t:40|

BDBM50519085

[H][C@@]12O[C@]1(CO)C(=O)[C@]1(O)[C@@H](OC(=O)c3ccccc3)[C@@H](C)[C@]3([H])[C@H](C)CCCCCC[C@@H](O)C45O[C@]6([H])[C@@]2([H])[C@](O4)([C@H](COC(=O)c2ccccc2)C[C@@]6(O5)C(C)=C)[C@@]13[H] |r,TLB:1:38:54.55:35,THB:59:40:54.55:35,42:40:54.55:35,53:54:40.38.41:35,32:34:42.54.53:38|

BDBM50519086

[H][C@@]12O[C@]1(CO)[C@@H](O)[C@]1(O)[C@@H](O)[C@@H](C)[C@]3([H])[C@H](C)CCCCCC[C@@H](O)C45O[C@]6([H])[C@@]2([H])[C@](O4)([C@H](CO)C[C@@]6(O5)C(C)=C)[C@@]13[H] |r,TLB:1:30:38.39:27,THB:34:32:38.39:27,37:38:32.30.33:27,43:32:38.39:27,24:26:34.38.37:30|

BDBM50519075

[H][C@@]12O[C@]1(CO)[C@@H](O)[C@]1(O)[C@@H](O)[C@@H](C)[C@]3([H])[C@H](C)CCCCCC[C@@H](O)C45O[C@]6([H])[C@@]2([H])[C@](O4)([C@H](COC(=O)c2ccccc2)C[C@@]6(O5)C(C)=C)[C@@]13[H] |r,TLB:1:30:46.47:27,THB:51:32:46.47:27,24:26:34.46.45:30,34:32:46.47:27,45:46:32.30.33:27|

BDBM50519061

[H][C@@]12O[C@]1(CO)[C@@H](O)[C@]1(O)[C@@H](OC(=O)\C=C\c3ccccc3)[C@@H](C)[C@]3([H])[C@H](C)CCCCCC[C@@H](O)C45O[C@]6([H])[C@@]2([H])[C@](O4)([C@H](COC(=O)c2ccccc2)C[C@@]6(O5)C(C)=C)[C@@]13[H] |r,TLB:1:40:56.57:37,THB:61:42:56.57:37,34:36:44.56.55:40,44:42:56.57:37,55:56:42.40.43:37|

BDBM50519083

[H][C@@]12O[C@]1(CO)[C@@H](O)[C@]1(O)[C@@H](OC(=O)c3ccc(OC)cc3)[C@@H](C)[C@]3([H])[C@H](C)CCCCCC[C@@H](O)C45O[C@]6([H])[C@@]2([H])[C@](O4)([C@H](COC(=O)c2ccccc2)C[C@@]6(O5)C(C)=C)[C@@]13[H] |r,TLB:1:40:56.57:37,THB:61:42:56.57:37,44:42:56.57:37,55:56:42.40.43:37,34:36:44.56.55:40|

BDBM50519069

[H][C@@]12O[C@]1(CO)[C@@H](O)[C@]1(O)[C@@H](OC(=O)c3ccc(cc3)[N+]([O-])=O)[C@@H](C)[C@]3([H])[C@H](C)CCCCCC[C@@H](O)C45O[C@]6([H])[C@@]2([H])[C@](O4)([C@H](COC(=O)c2ccccc2)C[C@@]6(O5)C(C)=C)[C@@]13[H] |r,TLB:1:41:57.58:38,THB:62:43:57.58:38,45:43:57.58:38,56:57:43.41.44:38,35:37:45.57.56:41|

BDBM50519060

[H][C@@]12O[C@]1(CO)[C@@H](O)[C@]1(O)[C@@H](OC(=O)c3ccc4ccccc4c3)[C@@H](C)[C@]3([H])[C@H](C)CCCCCC[C@@H](O)C45O[C@]6([H])[C@@]2([H])[C@](O4)([C@H](COC(=O)c2ccccc2)C[C@@]6(O5)C(C)=C)[C@@]13[H] |r,TLB:1:42:58.59:39,THB:63:44:58.59:39,36:38:46.58.57:42,46:44:58.59:39,57:58:44.42.45:39|

BDBM50519068

[H][C@@]12O[C@]1(CO)[C@@H](O)[C@]1(O)[C@@H](OC(=O)c3ccccc3)[C@@H](C)[C@]3([H])[C@H](C)CCCCCCC(=O)C45O[C@]6([H])[C@@]2([H])[C@](O4)([C@H](COC(=O)c2ccccc2)C[C@@]6(O5)C(C)=C)[C@@]13[H] |r,TLB:1:38:54.55:35,THB:59:40:54.55:35,42:40:54.55:35,53:54:40.38.41:35,32:34:42.54.53:38|

BDBM50519087

[H][C@@]12O[C@]1(CO)[C@@H](O)[C@]1(O)[C@@H](OC(=O)c3ccccc3)[C@@H](C)[C@]3([H])[C@H](C)CCCCCC[C@@H](O)C45O[C@]6([H])[C@@]2([H])[C@](O4)([C@H](COC(=O)c2ccccc2)C[C@@]6(O5)C(C)=C)[C@@]13[H] |r,TLB:1:38:35:54.55,THB:55:34:38:54.53.42,32:34:38:54.53.42,53:54:40.38.41:35,42:40:35:54.55,56:54:40.38.41:35|

BDBM50519084

[H][C@@]12O[C@]1(CO)[C@@H](O)[C@]1(O)[C@@H](OC(=O)c3ccccc3)[C@@H](C)[C@]3([H])[C@H](C)CCCCCC[C@@H](O)C45O[C@]6([H])[C@@]2([H])[C@](O4)([C@H](COC(=O)c2ccccc2)C[C@@]6(O5)C(C)C)[C@@]13[H] |r,TLB:1:38:54.55:35,THB:59:40:54.55:35,42:40:54.55:35,53:54:40.38.41:35,32:34:42.54.53:38|

BDBM50519067

[H][C@@]12O[C@]1(CO)[C@@H](O)[C@]1(O)[C@@H](OC(=O)c3ccccc3)[C@@H](C)[C@]3([H])[C@H](C)CCCCCC[C@@H](OC(=O)C(\C)=C\C)C45O[C@]6([H])[C@@]2([H])[C@](O4)([C@H](COC(=O)c2ccccc2)C[C@@]6(O5)C(C)=C)[C@@]13[H] |r,TLB:1:44:60.61:41,THB:65:46:60.61:41,48:46:60.61:41,59:60:46.44.47:41,32:40:48.60.59:44|

BDBM50519074

[H][C@@]12O[C@]1(CO)[C@@H](O)[C@]1(O)[C@@H](OC(=O)c3ccccc3)[C@@H](C)[C@]3([H])[C@H](C)CCCCCC[C@@H](OC(=O)\C=C\c4ccccc4)C45O[C@]6([H])[C@@]2([H])[C@](O4)([C@H](COC(=O)c2ccccc2)C[C@@]6(O5)C(C)=C)[C@@]13[H] |r,TLB:1:48:64.65:45,THB:69:50:64.65:45,52:50:64.65:45,63:64:50.48.51:45,32:44:52.64.63:48|

BDBM50519079

[H][C@@]12O[C@]1(CO)[C@@H](O)[C@]1(O)[C@@H](OC(=O)c3ccccc3)[C@@H](C)[C@]3([H])[C@H](C)CCCCCC[C@@H](OC(=O)c4ccc(OC)cc4)C45O[C@]6([H])[C@@]2([H])[C@](O4)([C@H](COC(=O)c2ccccc2)C[C@@]6(O5)C(C)=C)[C@@]13[H] |r,TLB:1:48:64.65:45,THB:69:50:64.65:45,52:50:64.65:45,63:64:50.48.51:45,32:44:52.64.63:48|

BDBM50519088

[H][C@@]12O[C@]1(CO)[C@@H](O)[C@]1(O)[C@@H](OC(=O)c3ccccc3)[C@@H](C)[C@]3([H])[C@H](C)CCCCCC[C@@H](OC(=O)c4ccc(cc4)[N+]([O-])=O)C45O[C@]6([H])[C@@]2([H])[C@](O4)([C@H](COC(=O)c2ccccc2)C[C@@]6(O5)C(C)=C)[C@@]13[H] |r,TLB:1:49:65.66:46,THB:70:51:65.66:46,53:51:65.66:46,64:65:51.49.52:46,32:45:53.65.64:49|

BDBM50519072

[H][C@@]12O[C@]1(CO)[C@@H](O)[C@]1(O)[C@@H](OC(=O)c3ccccc3)[C@@H](C)[C@]3([H])[C@H](C)CCCCCC[C@@H](OC(=O)c4ccc5ccccc5c4)C45O[C@]6([H])[C@@]2([H])[C@](O4)([C@H](COC(=O)c2ccccc2)C[C@@]6(O5)C(C)=C)[C@@]13[H] |r,TLB:1:50:66.67:47,THB:71:52:66.67:47,54:52:66.67:47,65:66:52.50.53:47,32:46:54.66.65:50|

BDBM50519065

[H][C@@]12O[C@]1(CO)[C@@H](O)[C@]1(O)[C@@H](OC(=O)c3ccccc3)[C@@H](C)[C@]3([H])[C@H](C)CCCCCC[C@@H](OC(=O)c4ccccc4)C45O[C@]6([H])[C@@]2([H])[C@](O4)([C@H](COC(=O)c2ccccc2)C[C@@]6(O5)C(C)=C)[C@@]13[H] |r,TLB:1:46:62.63:43,THB:67:48:62.63:43,50:48:62.63:43,61:62:48.46.49:43,32:42:50.62.61:46|

BDBM50519062

[H][C@@]12O[C@]1(CO)[C@@H](O)[C@]1(O)[C@@H](OC(=O)c3ccccc3)[C@@H](C)[C@]3([H])[C@H](C)CCCCCC[C@@H](OC(C)=O)C45O[C@]6([H])[C@@]2([H])[C@](O4)([C@H](COC(=O)c2ccccc2)C[C@@]6(O5)C(C)=C)[C@@]13[H] |r,TLB:1:41:57.58:38,THB:62:43:57.58:38,45:43:57.58:38,56:57:43.41.44:38,32:37:45.57.56:41|

BDBM50519063

[H][C@@]12O[C@]1(CO)[C@@H](O)[C@]1(O)[C@@H](OC(=O)c3ccncc3)[C@@H](C)[C@]3([H])[C@H](C)CCCCCC[C@@H](O)C45O[C@]6([H])[C@@]2([H])[C@](O4)([C@H](COC(=O)c2ccccc2)C[C@@]6(O5)C(C)=C)[C@@]13[H] |r,TLB:1:38:54.55:35,THB:59:40:54.55:35,42:40:54.55:35,53:54:40.38.41:35,32:34:42.54.53:38|

BDBM50519077

[H][C@@]12O[C@]1(CO)[C@@H](OC(=O)c1ccccc1)[C@]1(O)[C@@H](OC(=O)c3ccccc3)[C@@H](C)[C@]3([H])[C@H](C)CCCCCC[C@@H](O)C45O[C@]6([H])[C@@]2([H])[C@](O4)([C@H](COC(=O)c2ccccc2)C[C@@]6(O5)C(C)=C)[C@@]13[H] |r,TLB:1:46:62.63:43,THB:67:48:62.63:43,50:48:62.63:43,61:62:48.46.49:43,40:42:50.62.61:46|

BDBM50519089

[H][C@@]12O[C@]1(CO)[C@@H](OC(C)=O)[C@]1(O)[C@@H](OC(=O)c3ccccc3)[C@@H](C)[C@]3([H])[C@H](C)CCCCCC[C@@H](O)C45O[C@]6([H])[C@@]2([H])[C@](O4)([C@H](COC(=O)c2ccccc2)C[C@@]6(O5)C(C)=C)[C@@]13[H] |r,TLB:1:41:57.58:38,THB:62:43:57.58:38,45:43:57.58:38,56:57:43.41.44:38,35:37:45.57.56:41|

BDBM50519064

[H][C@@]12O[C@]1(COC(=O)C(C)(C)CC(O)=O)[C@@H](O)[C@]1(O)[C@@H](OC(=O)c3ccccc3)[C@@H](C)[C@]3([H])[C@H](C)CCCCCC[C@@H](O)C45O[C@]6([H])[C@@]2([H])[C@](O4)([C@H](COC(=O)c2ccccc2)C[C@@]6(O5)C(C)=C)[C@@]13[H] |r,TLB:1:47:63.64:44,THB:68:49:63.64:44,51:49:63.64:44,62:63:49.47.50:44,41:43:51.63.62:47|

BDBM50519073

[H][C@@]12O[C@]1(COC(=O)C1(C)COC(C)(C)OC1)[C@@H](O)[C@]1(O)[C@@H](OC(=O)c3ccccc3)[C@@H](C)[C@]3([H])[C@H](C)CCCCCC[C@@H](O)C45O[C@]6([H])[C@@]2([H])[C@](O4)([C@H](COC(=O)c2ccccc2)C[C@@]6(O5)C(C)=C)[C@@]13[H] |r,TLB:1:49:65.66:46,THB:70:51:65.66:46,53:51:65.66:46,64:65:51.49.52:46,43:45:53.65.64:49|

BDBM50519078

[H][C@@]12O[C@]1(COC(=O)CC(C)(C)C(O)=O)[C@@H](O)[C@]1(O)[C@@H](OC(=O)c3ccccc3)[C@@H](C)[C@]3([H])[C@H](C)CCCCCC[C@@H](O)C45O[C@]6([H])[C@@]2([H])[C@](O4)([C@H](COC(=O)c2ccccc2)C[C@@]6(O5)C(C)=C)[C@@]13[H] |r,TLB:1:47:63.64:44,THB:68:49:63.64:44,51:49:63.64:44,62:63:49.47.50:44,41:43:51.63.62:47|

BDBM50519066

[H][C@@]12O[C@]1(COC(=O)CCC(O)=O)[C@@H](O)[C@]1(O)[C@@H](OC(=O)c3ccccc3)[C@@H](C)[C@]3([H])[C@H](C)CCCCCC[C@@H](O)C45O[C@]6([H])[C@@]2([H])[C@](O4)([C@H](COC(=O)c2ccccc2)C[C@@]6(O5)C(C)=C)[C@@]13[H] |r,TLB:1:45:61.62:42,THB:66:47:61.62:42,49:47:61.62:42,60:61:47.45.48:42,39:41:49.61.60:45|

BDBM50519076

[H][C@@]12O[C@]1(COC(=O)[C@@]13CC[C@@](C)(C(=O)O1)C3(C)C)[C@@H](O)[C@]1(O)[C@@H](OC(=O)c3ccccc3)[C@@H](C)[C@]3([H])[C@H](C)CCCCCC[C@@H](O)C45O[C@]6([H])[C@@]2([H])[C@](O4)([C@H](COC(=O)c2ccccc2)C[C@@]6(O5)C(C)=C)[C@@]13[H] |r,TLB:14:13:16:10.9,1:51:67.68:48,THB:55:53:67.68:48,66:67:53.51.54:48,45:47:55.67.66:51,72:53:67.68:48|

BDBM50519071

[H][C@@]12O[C@]1(COC(=O)\C=C\c1ccc(OC)cc1)[C@@H](O)[C@]1(O)[C@@H](OC(=O)c3ccccc3)[C@@H](C)[C@]3([H])[C@H](C)CCCCCC[C@@H](O)C45O[C@]6([H])[C@@]2([H])[C@](O4)([C@H](COC(=O)c2ccccc2)C[C@@]6(O5)C(C)=C)[C@@]13[H] |r,TLB:1:50:66.67:47,THB:71:52:66.67:47,54:52:66.67:47,65:66:52.50.53:47,44:46:54.66.65:50|

BDBM50519082

[H][C@@]12O[C@]1(COC(=O)c1ccccc1)[C@@H](O)[C@]1(O)[C@@H](OC(=O)c3ccccc3)[C@@H](C)[C@]3([H])[C@H](C)CCCCCC[C@@H](O)C45O[C@]6([H])[C@@]2([H])[C@](O4)([C@H](COC(=O)c2ccccc2)C[C@@]6(O5)C(C)=C)[C@@]13[H] |r,TLB:1:46:62.63:43,THB:67:48:62.63:43,50:48:62.63:43,61:62:48.46.49:43,40:42:50.62.61:46|

BDBM50519080

[H][C@@]12O[C@]1(COC(=O)c1ccccc1)[C@@H](O)[C@]1(O)[C@@H](OC(=O)c3ccccc3)[C@@H](C)[C@]3([H])[C@H](C)CCCCCC[C@@H](OC(=O)c4ccccc4)C45O[C@]6([H])[C@@]2([H])[C@](O4)([C@H](COC(=O)c2ccccc2)C[C@@]6(O5)C(C)=C)[C@@]13[H] |r,TLB:1:54:70.71:51,THB:75:56:70.71:51,58:56:70.71:51,69:70:56.54.57:51,40:50:58.70.69:54|

BDBM50519070

[H][C@@]12O[C@]1(COC(C)=O)[C@@H](O)[C@]1(O)[C@@H](OC(=O)c3ccccc3)[C@@H](C)[C@]3([H])[C@H](C)CCCCCC[C@@H](O)C45O[C@]6([H])[C@@]2([H])[C@](O4)([C@H](COC(=O)c2ccccc2)C[C@@]6(O5)C(C)=C)[C@@]13[H] |r,TLB:1:41:57.58:38,THB:62:43:57.58:38,45:43:57.58:38,56:57:43.41.44:38,35:37:45.57.56:41|

BDBM50519081

[H][C@@]12O[C@]1(COC(C)=O)[C@@H](OC(C)=O)[C@]1(O)[C@@H](OC(=O)c3ccccc3)[C@@H](C)[C@]3([H])[C@H](C)CCCCCC[C@@H](OC(C)=O)C45O[C@]6([H])[C@@]2([H])[C@](O4)([C@H](COC(=O)c2ccccc2)C[C@@]6(O5)C(C)=C)[C@@]13[H] |r,TLB:1:47:63.64:44,THB:68:49:63.64:44,51:49:63.64:44,62:63:49.47.50:44,38:43:51.63.62:47|

BDBM50260498

[H][C@]1(C2OC(=O)c3c(c(O)c(O)c(O)c13)-c1c(O)c(O)c(O)c3-c4c(O)c(O)c(O)cc4C(=O)OC4COC(=O)c5cc(O)c(O)c(O)c5-c5c(O)c(O)c(O)cc5C(=O)OC4C2OC(=O)c13)[C@@]1(O)O[C@@H](CO)[C@@H](O)[C@H]1O |r|

BDBM50469578

[H][C@]1(O)C2OC(=O)c3c(c(O)c(O)c(O)c13)-c1c(O)c(O)c(O)c3-c4c(O)c(O)c(O)cc4C(=O)OC4COC(=O)c5cc(O)c(O)c(O)c5-c5c(O)c(O)c(O)cc5C(=O)OC4C2OC(=O)c13

BDBM50469582

[H][C@]1(O)C2OC(=O)c3c(c(O)c(O)c(O)c13)-c1c(O)c(O)c(O)c3-c4c(O)c(O)c(O)cc4C(=O)OC4COC(=O)c5cc(O)c(O)c(O)c5-c5c(O)c(O)c6oc(=O)c7c(c(O)c(O)c8oc(=O)c5c6c78)-c5c(O)c(O)c(O)cc5C(=O)OC4C2OC(=O)c13

BDBM50212474

[H][C@]1(O)C[C@]2([H])O[C@](C)([C@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13

BDBM50469579

[H][C@]12CC=C3C4CC(C)(C)CC[C@@]4(CC[C@@]3(C)[C@]1(C)CCC1[C@]2(C)C[C@@H](O)[C@]2([H])OC(=O)c3cc(O)c(O)c(O)c3-c3c(O)c(O)c(O)cc3C(=O)OC[C@@]12CO)C(=O)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O |r,t:3|

BDBM50469707

[H][C@]12CCC[C@]([H])(N1)n1c3ccccc3c3c4C(=O)NC(=O)c4c4c5ccccc5n2c4c13

BDBM50469705

[H][C@]12CCC[C@]([H])(N1C)n1c3ccccc3c3c4C(=O)NC(=O)c4c4c5ccccc5n2c4c13 |TLB:8:7:31.9.33.32:4.2.3|

BDBM50469703

[H][C@]12CC[C@]([H])(N1)n1c3ccccc3c3c4C(=O)NC(=O)c4c4c5ccccc5n2c4c13

BDBM50469702

[H][C@]12CC[C@]([H])(N1C)n1c3ccccc3c3c4C(=O)NC(=O)c4c4c5ccccc5n2c4c13 |TLB:7:6:30.8.31.32:2.3|

BDBM50260525

[H][C@]12COC(=O)c3cc(O)c(O)c(O)c3-c3c(O)c(O)c(O)cc3C(=O)O[C@]([H])([C@@H](OC(=O)c3cc(O)c(O)c(O)c3)[C@H](OC(=O)c3cc(O)c(O)c(O)c3)O1)[C@@H]2OC(=O)c1cc(O)c(O)c(O)c1 |r|

BDBM50469570

[H][C@]12COC(=O)c3cc(Oc4c(O)c(O)c(O)cc4C(O)=O)c(O)c(O)c3-c3c(O)c(O)c(O)cc3C(=O)O[C@]([H])([C@@H](O)[C@H](OC(=O)c3cc(O)c(O)c(O)c3)O1)[C@@H]2O |r|

BDBM50469706

[H][C@]12COC[C@]([H])(N1)n1c3ccccc3c3c4C(=O)NC(=O)c4c4c5ccccc5n2c4c13

BDBM50469704

[H][C@]12N[C@]([H])(C(COC)CC1COC)n1c3ccccc3c3c4C(=O)NC(=O)c4c4c5ccccc5n2c4c13

BDBM50470109

[H][C@]12[C@]3([H])C=C(COC(C)=O)C[C@]4(O)C(=O)C(C)=C[C@@]4([H])[C@@]3(O)[C@H](C)C[C@@]1(OCC(C)C)[C@]2(C)COC(=O)C(\C)=C/C |r,c:17,t:4|

BDBM50227649

[I-].CCCCCCCCCCCCCCCCCCSCC(C[N+](C)(C)CCCO)OC

BDBM50130241

[O-][N+](=O)c1cc(Cl)cc2c1[nH]c1cnccc21

BDBM50111433

[O-][N+](=O)c1ccc(Cl)c(c1)-c1nccc2c1[nH]c1ccccc21

BDBM50013811

c1ccc2c(c1)[nH]c1cnccc21