SMILES for P-selectin

249 SMILES Strings for P-selectin

Compound Name

SMILES String

BDBM50201982

CC(=O)Oc1c(Cc2ccc(Cl)cc2)nc2c3CCCCc3ccc2c1C(O)=O

BDBM50422130

CC(C(O)=O)c1cccc(c1)-c1ccccc1O[C@H]1O[C@H](CO)[C@@H](O)[C@@H](O)[C@@H]1O |r|

BDBM50201953

CC(C)COC(=O)Oc1c(Cc2ccc(Cl)cc2)nc2c3CCCCc3ccc2c1C(O)=O

BDBM50026871

CC(C)OC(=O)[C@H](O[C@@H]1O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]1O)[C@@H](O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O[C@H](Cc2ccccc2)C(O)=O)[C@H]1OC(=O)c1ccccc1)C(=O)OC(C)C |r|

BDBM50026882

CC(C)OC(=O)[C@H](O[C@@H]1O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]1O)[C@@H](O[C@@H]1O[C@H](CO)[C@H](OC(=O)c2ccccc2)[C@H](O[C@H](Cc2ccccc2)C(O)=O)[C@H]1O)C(=O)OC(C)C |r|

BDBM50026881

CC(C)OC(=O)[C@H](O[C@@H]1O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]1O)[C@@H](O[C@@H]1O[C@H](CO)[C@H](OC(=O)c2ccccc2)[C@H](O[C@H](Cc2ccccc2)C(O)=O)[C@H]1OC(=O)c1ccccc1)C(=O)OC(C)C |r|

BDBM50027066

CC(C)OC(=O)[C@H](O[C@@H]1O[C@H](CO)[C@H](OC(=O)c2ccccc2)[C@H](O[C@H](Cc2ccccc2)C(O)=O)[C@H]1OC(=O)c1ccccc1)[C@@H](O[C@@H]1O[C@@H](C)[C@@H](O)[C@@H](O)[C@H]1O)C(=O)OCCCCCn1cc(CCOC(=O)[C@H](O[C@H]2O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]2O)[C@@H](O[C@H]2O[C@@H](CO)[C@H](OC(=O)c3ccccc3)[C@@H](O[C@@H](Cc3ccccc3)C(O)=O)[C@H]2OC(=O)c2ccccc2)C(=O)OC(C)C)nn1 |r|

BDBM50201990

CC(C)S(=O)(=O)N1CCc2ccc3c(C(O)=O)c(O)c(Cc4ccc(Cl)cc4)nc3c2C1

BDBM50201956

CC(C)c1cccc2c(C(O)=O)c(O)c(Cc3c[nH]c4ccccc34)nc12

BDBM50201972

CC(C)c1cccc2c(C(O)=O)c(O)c(Cc3ccc(Cl)cc3)nc12

BDBM50071592

CC(N(C(CCC(O)=O)C(O)=O)C(=O)CC1OC(COc2ccccc2)C(O)C(O)C1O)C(=O)NC(C)(C)C

BDBM50071593

CC(N(C(CCC(O)=O)C(O)=O)C(=O)CC1OC(COc2ccccc2)C(O)C(O)C1O)C(=O)NCCc1ccccc1

BDBM50071589

CC1OC(CC(=O)N(CC(=O)NC(CCC(O)=O)C(O)=O)C(CCc2ccc(Oc3ccc(Oc4ccccc4)cc3)cc2)C(=O)NCCc2ccccc2)C(O)C(O)C1O

BDBM50071590

CC1OC(CC(N(CC(=O)NC(CCC(O)=O)C(O)=O)C(=O)CCc2ccc(Oc3ccc(Oc4ccccc4)cc3)cc2)C(=O)NCCc2ccccc2)C(O)C(O)C1O

BDBM50168310

CC1OC(OC2C(NC(C)=O)C(O)OC(CO)C2OC2OC(CO)C(O)C(OC3(CC(O)C(NC(C)=O)C(C3)[C@H](O)C(O)CO)C(O)=O)C2O)C(O)C(O)C1O

BDBM50288934

CC1OC(OC2C(NC(C)=O)C(O)OC(CO)C2OC2OC(CO)C(O)C(OC3(CC(O)C(NC(C)=O)C(O3)[C@@H](O)[C@H](O)CO)C(O)=O)C2O)C(O)C(O)C1O

BDBM50056133

CC1OC(OC2C(NC(C)=O)[C@@H](O)OC(CO)C2OC2OC(CO)C(O)C(OC3(CC(O)C(NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)C2O)C(O)C(O)C1O

BDBM50056132

CC1OC(OC2C(O)C(O)OC(CO)C2OC2OC(CO)C(O)C(OS([O-])(=O)=O)C2O)C(O)C(O)C1O

BDBM50050501

CC1OC(OC2C(O)COC(CO)C2OC2OC(CO)C(O)C(C2O)S([O-])(=O)=O)C(O)C(O)C1O

BDBM50168307

CCC(C)[C@H](NC(=O)[C@@]1(O)C[C@@H](O)[C@H](O)[C@H](O)C1)C(O)=O |wU:8.8,13.13,15.15,wD:8.7,4.4,11.11,(-2.14,2.27,;-.81,3.04,;.52,2.27,;1.85,3.04,;.52,.74,;1.85,-.03,;3.17,.74,;3.17,2.27,;4.52,-.03,;5.85,.74,;3.19,-.8,;3.19,-2.35,;1.85,-3.13,;4.52,-3.12,;4.52,-4.66,;5.85,-2.35,;7.19,-3.13,;5.85,-.8,;-.81,-.03,;-2.14,.74,;-.81,-1.58,)|

BDBM50201979

CCC(C)c1cccc2c(C(O)=O)c(O)c(Cc3ccc(Cl)cc3)nc12

BDBM50067554

CCCCCCCCCCCC(CCCCCCCCCCC)C(=O)N[C@H](COC1OC(C)C(O)C(O)C1O)C(=O)NC(CCC(O)=O)C(=O)NC

BDBM50050960

CCCCCCCCCCCCC#CC#CCCCCCCCCC(=O)NCCO

BDBM50422189

CCCCCCCCCCCCC#CC#CCCCCCCCCC(=O)NCCSCCCN([C@@H]1O[C@@H](CO)[C@@H](O[C@@H]2O[C@@H](CO)[C@H](O)[C@H](OCC(O)=O)[C@@H]2O)[C@H](O[C@@H]2O[C@@H](C)[C@@H](O)[C@H](O)[C@@H]2O)[C@@H]1O)C(C)=O |r|

BDBM50060515

CCCCCCCCCCCCCCC(CCCCCCCCCCCCCC)C(=O)N[C@@H](COC1OC(C)C(O)C(O)C1O)C(=O)N[C@@H](CCC(O)=O)C(=O)NC

BDBM50060511

CCCCCCCCCCCCCCC(CCCCCCCCCCCCCC)C(=O)N[C@@H](COC1OC(C)C(O)C(O)C1O)C(=O)N[C@H](CCC(O)=O)C(=O)NC

BDBM50091500

CCCCCCCCCCCCCCC(CCCCCCCCCCCCCC)C(=O)N[C@@H](CO[C@@H]1O[C@@H](CO)[C@H](O)[C@H](O)[C@H]1O)C(=O)N[C@H](CCC(O)=O)C(=O)NC

BDBM50422275

CCCCCCCCCCCCCCC(CCCCCCCCCCCCCC)C(=O)N[C@@H](CO[C@H]1O[C@H](CO)[C@@H](O)[C@@H](O)[C@@H]1O)C(=O)N[C@H](CCC(O)=O)C(=O)NC |r|

BDBM50067553

CCCCCCCCCCCCCCC(CCCCCCCCCCCCCC)C(=O)N[C@H](COC1OC(C)C(O)C(O)C1O)C(=O)NC(CC(O)=O)C(=O)NC

BDBM50067552

CCCCCCCCCCCCCCC(CCCCCCCCCCCCCC)C(=O)N[C@H](COC1OC(C)C(O)C(O)C1O)C(=O)NC(CCC(O)=O)C(=O)OC

BDBM50067556

CCCCCCCCCCCCCCC(CCCCCCCCCCCCCC)C(=O)N[C@H](COC1OC(C)C(O)C(O)C1O)C(=O)N[C@@H](CCC(=O)OC)C(=O)NC

BDBM50060514

CCCCCCCCCCCCCCC(CCCCCCCCCCCCCC)C(=O)N[C@H](COC1OC(C)C(O)C(O)C1O)C(=O)N[C@@H](CCC(O)=O)C(=O)NC

BDBM50060512

CCCCCCCCCCCCCCC(CCCCCCCCCCCCCC)C(=O)N[C@H](COC1OC(C)C(O)C(O)C1O)C(=O)N[C@H](CCC(O)=O)C(=O)NC

BDBM50422276

CCCCCCCCCCCCCCC(CCCCCCCCCCCCCC)C(=O)N[C@H](CO[C@H]1O[C@H](CO)[C@@H](O)[C@@H](O)[C@@H]1O)C(=O)N[C@@H](CCC(O)=O)C(=O)NC |r|

BDBM50091501

CCCCCCCCCCCCCCC(CCCCCCCCCCCCCC)CN1CCCS[C@@H](CCC(O)=O)C(=O)N[C@H](CO[C@H]2O[C@H](CO)[C@@H](O)[C@@H](O)[C@@H]2O)C1=O

BDBM50103882

CCCCCCCCCCCCCCC(CCCCCCCCCCCCCC)CNC(=O)c1cc(CSC2OC(C)C(O)C(O)C2O)cc(c1)C(O)=O

BDBM50422136

CCCCCCCCCCCCCCC(CCCCCCCCCCCCCC)CO[C@@H]1O[C@@H](CO)[C@@H](O[C@@H]2O[C@@H](CO)[C@H](O)[C@H](OC(=O)C3CC(O)C(NC(C)=O)C(O3)C(O)C(O)CO)[C@@H]2O)[C@H](O[C@@H]2O[C@@H](C)[C@@H](O)[C@H](O)[C@@H]2O)[C@@H]1NC(C)=O |r|

BDBM50408284

CCCCCCCCCCCCCCC(CCCCCCCCCCCCCC)CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](OS([O-])(=O)=O)[C@H]2O)[C@H](O[C@@H]2O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]2O)[C@H]1O |r|

BDBM50061128

CCCCCCCCCCCCCCCC(=O)N[C@@H](COC1CC(OS([O-])(=O)=O)C(O)C(CO)O1)[C@H](O)\C=C\CCCCCCCCCCCCC

BDBM50061127

CCCCCCCCCCCCCCCC(=O)N[C@@H](COC1OC(CO)C(O)C(O)C1OS([O-])(=O)=O)[C@H](O)\C=C\CCCCCCCCCCCCC

BDBM50061133

CCCCCCCCCCCCCCCC(=O)N[C@@H](COC1OC(CO)C(O)C(OS([O-])(=O)=O)C1O)[C@H](O)\C=C\CCCCCCCCCCCCC

BDBM50369315

CCCCCCCCCCCCCCCC(=O)N[C@@H](COC1OC(CO)C(O)C(OS([O-])(=O)=O)C1OS([O-])(=O)=O)[C@H](O)\C=C\CCCCCCCCCCCCC

BDBM50061124

CCCCCCCCCCCCCCCC(=O)N[C@@H](COC1OC(CO)C(O)C(OS([O-])(=O)=O)C1OS([O-])(=O)=O)[C@H](OCc1ccccc1)\C=C\CCCCCCCCCCCCC

BDBM50061134

CCCCCCCCCCCCCCCC(=O)N[C@@H](COC1OC(CO)C(OS([O-])(=O)=O)C(O)C1O)[C@H](O)\C=C\CCCCCCCCCCCCC

BDBM50061129

CCCCCCCCCCCCCCCC(=O)N[C@@H](COC1OC(COCc2ccccc2)C(OC(C)=O)C(OS([O-])(=O)=O)C1OCc1ccccc1)[C@H](OCc1ccccc1)\C=C\CCCCCCCCCCCCC

BDBM50061121

CCCCCCCCCCCCCCCC(=O)N[C@@H](COC1OC(COS([O-])(=O)=O)C(O)C(O)C1O)[C@H](O)\C=C\CCCCCCCCCCCCC

BDBM50061125

CCCCCCCCCCCCCCCC(=O)N[C@@H](COC1OC(COS([O-])(=O)=O)C(O)C(O)C1O)[C@H](OCc1ccccc1)\C=C\CCCCCCCCCCCCC

BDBM50061132

CCCCCCCCCCCCCCCC(=O)N[C@@H](COC1OC(COS([O-])(=O)=O)C(O)C(O)C1OS([O-])(=O)=O)[C@H](O)\C=C\CCCCCCCCCCCCC

BDBM50061122

CCCCCCCCCCCCCCCC(=O)N[C@@H](COC1OC(COS([O-])(=O)=O)C(O)C(O)C1OS([O-])(=O)=O)[C@H](OCc1ccccc1)\C=C\CCCCCCCCCCCCC

BDBM50061131

CCCCCCCCCCCCCCCC(=O)N[C@@H](COC1OC(COS([O-])(=O)=O)C(O)C(OS([O-])(=O)=O)C1O)[C@H](O)\C=C\CCCCCCCCCCCCC

BDBM50061135

CCCCCCCCCCCCCCCC(=O)N[C@@H](COC1OC(COS([O-])(=O)=O)C(OC(C)=O)C(OS([O-])(=O)=O)C1OCc1ccccc1)[C@H](OCc1ccccc1)\C=C\CCCCCCCCCCCCC

BDBM50061137

CCCCCCCCCCCCCCCC(=O)N[C@@H](COC1OC(COS([O-])(=O)=O)C(OS([O-])(=O)=O)C(O)C1O)[C@H](O)\C=C\CCCCCCCCCCCCC

BDBM50061136

CCCCCCCCCCCCCCCC(=O)N[C@@H](COC1OC(COS([O-])(=O)=O)C(OS([O-])(=O)=O)C(OCc2ccccc2)C1OCc1ccccc1)[C@H](OCc1ccccc1)\C=C\CCCCCCCCCCCCC

BDBM50061130

CCCCCCCCCCCCCCCC(=O)N[C@@H](COC1OC2COC(OC2C(OS([O-])(=O)=O)C1OS([O-])(=O)=O)c1ccccc1)[C@H](OCc1ccccc1)\C=C\CCCCCCCCCCCCC

BDBM50067550

CCCCCCCCCCCCCCCC(=O)N[C@H](COC1OC(C)C(O)C(O)C1O)C(=O)NC(CCC(O)=O)C(=O)NC

BDBM50292393

CCCCCCCCCCCCCCCC(=O)OCC(COP(O)(=O)OCC(O)CO)OC(=O)CCCCCCC\C=C\C\C=C\CCCCC

BDBM50292392

CCCCCCCCCCCCCCCC(=O)OCC(CO[C@H]1O[C@H](CS(O)(=O)=O)[C@@H](O)[C@H](O)[C@H]1O)OC(=O)CCCCCCCCCCCCCCC |r|

BDBM50100510

CCCCCCCCCCCCCCCCNC(=O)C=Cc1ccc(cc1)-c1[nH]c(nc1-c1ccc(C=CC(O)=O)cc1)-c1ccc(cc1)-c1cc(on1)C(O)=O |w:19.18,37.39|

BDBM50100507

CCCCCCCCCCCCCCCCNC(=O)C=Cc1ccc(cc1)-c1[nH]c(nc1-c1ccc(C=CC(O)=O)cc1)-c1ccc(cc1)C1=NOC(C1)C(O)=O |w:19.18,37.39,t:53|

BDBM50100506

CCCCCCCCCCCCCCCCNC(=O)C=Cc1ccc(cc1)-c1[nH]cnc1-c1ccc(C=CC(O)=O)cc1 |w:19.18,37.39|

BDBM50061123

CCCCCCCCCCCCC\C=C/C(O)C(CO)NC(=O)O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O

BDBM50100508

CCCCCCCCCCCCNC(=O)C=Cc1ccc(cc1)-c1[nH]c(nc1-c1ccc(C=CC(O)=O)cc1)-c1ccc(cc1)-c1cc(on1)C(O)=O |w:15.14,33.35|

BDBM50100509

CCCCCCCc1ccc(NC(=O)C=Cc2ccc(cc2)-c2[nH]cnc2-c2ccc(C=CC(O)=O)cc2)cc1 |w:14.13,32.34|

BDBM50100514

CCCCCCN(CCCCCC)C(=O)C=Cc1ccc(cc1)-c1[nH]cnc1-c1ccc(C=CC(O)=O)cc1 |w:15.14,33.35|

BDBM50071583

CCOCCOCCOCCOCCCCOCC1OC(CC(=O)N(C(C)C(=O)NCC(=O)OC)C(CCC(O)=O)C(O)=O)C(O)C(O)C1O

BDBM50071596

CCOCCOCCOCCOCCCCOCC1OC(CC(=O)NC(CCC(O)=O)C(O)=O)C(O)C(O)C1O

BDBM50422119

CCOP(O)(=O)CCCc1cccc(c1)-c1ccccc1O[C@H]1O[C@H](CO)[C@@H](O)[C@@H](O)[C@@H]1O |r|

BDBM50425870

CC[C@@H](CO)Nc1nc(Nc2cc(Cl)cc(Cl)c2)ncc1C(=O)NC1CCN(C)CC1 |r|

BDBM50201954

CCc1cccc2c(C(O)=O)c(O)c(Cc3ccc(Cl)cc3)nc12

BDBM50425873

CN(C)C1CCC(CC1)Nc1nc(NCc2cc(Cl)ccc2Cl)ncc1C(=O)NC1CCN(C)CC1 |(25.27,-50.31,;26.81,-50.32,;27.57,-51.65,;27.59,-48.99,;26.83,-47.65,;27.6,-46.32,;29.13,-46.34,;29.91,-47.66,;29.13,-49,;29.91,-45.01,;29.14,-43.67,;27.6,-43.67,;26.84,-42.33,;25.3,-42.33,;24.53,-43.66,;22.99,-43.66,;22.22,-44.99,;20.69,-44.99,;19.92,-46.32,;19.91,-43.65,;20.69,-42.32,;22.22,-42.32,;23,-40.99,;27.6,-41,;29.14,-41,;29.91,-42.34,;31.45,-42.34,;32.22,-43.67,;32.23,-41.01,;33.77,-41.01,;34.53,-42.34,;36.06,-42.35,;36.84,-41.02,;38.38,-41.03,;36.07,-39.68,;34.53,-39.67,)|

BDBM50425862

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

BDBM50425864

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

BDBM50425865

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

BDBM50425874

CN1CCC(CC1)NC(=O)c1cnc(NCc2cc(Cl)ccc2Cl)nc1NC1CCNCC1

BDBM50425872

CN1CCC(CC1)NC(=O)c1cnc(Nc2cc(Cl)cc(Cl)c2)nc1NC1CCOCC1

BDBM50425863

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

BDBM50425871

CN1CCC(CC1)NC(=O)c1cnc(Nc2cc(Cl)cc(Cl)c2)nc1N[C@H]1CCCCNC1=O |r|

BDBM50071591

COC(=O)CCC(=O)N(C(CCC(O)=O)C(O)=O)C(CC1OC(CO)C(O)C(O)C1O)C(=O)NCC(=O)OC

BDBM50071595

COC(=O)CNC(=O)C(C)N(C(CCC(O)=O)C(O)=O)C(=O)CC1OC(CO)C(O)C(O)C1O

BDBM50071586

COC(=O)CNC(=O)C(C)N(C(CCC(O)=O)C(O)=O)C(=O)CC1OC(COCCCc2ccc(Oc3ccc(Oc4ccccc4)cc3)cc2)C(O)C(O)C1O

BDBM50071588

COC(=O)CNC(=O)C(C)N(C(CCC(O)=O)C(O)=O)C(=O)CC1OC(COc2ccccc2)C(O)C(O)C1O

BDBM50071594

COC(=O)CNC(=O)C(CCC(O)=O)N(C(CCC(O)=O)C(O)=O)C(=O)CC1OC(CO)C(O)C(O)C1O

BDBM50201997

COC(=O)Oc1c(Cc2ccc(Cl)cc2)nc2c3CCCCc3ccc2c1C(O)=O

BDBM50400722

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

BDBM50400721

COC(=O)[C@H](O[C@@H]1O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]1O)[C@@H](O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O[C@H](Cc2ccccc2)C(O)=O)[C@H]1O)C(=O)OC |r|

BDBM50026869

COC(=O)[C@H](O[C@@H]1O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]1O)[C@@H](O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O[C@H](Cc2ccccc2)C(O)=O)[C@H]1OC(=O)c1ccccc1)C(=O)OC |r|

BDBM50400719

COC(=O)[C@H](O[C@@H]1O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]1O)[C@@H](O[C@@H]1O[C@H](CO)[C@H](OC(=O)c2cccc3ccccc23)[C@H](O[C@H](Cc2ccccc2)C(O)=O)[C@H]1O)C(=O)OC |r|

BDBM50400720

COC(=O)[C@H](O[C@@H]1O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]1O)[C@@H](O[C@@H]1O[C@H](CO)[C@H](OC(=O)c2ccccc2)[C@H](O[C@H](Cc2ccccc2)C(O)=O)[C@H]1O)C(=O)OC |r|

BDBM50026870

COC(=O)[C@H](O[C@@H]1O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]1O)[C@@H](O[C@@H]1O[C@H](CO)[C@H](OC(=O)c2ccccc2)[C@H](O[C@H](Cc2ccccc2)C(O)=O)[C@H]1OC(=O)c1ccccc1)C(=O)OC |r|

BDBM50026886

COC(=O)[C@H](O[C@@H]1O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]1O)[C@@H](O[C@@H]1O[C@H](CO)[C@H](OC(=O)c2ccccc2)[C@H](O[C@H](Cc2ccccc2)C(O)=O)[C@H]1OC(=O)c1ccccc1)C(=O)OC(C)C |r|

BDBM50026887

COC(=O)[C@H](O[C@@H]1O[C@H](CO)[C@H](OC(=O)c2ccccc2)[C@H](O[C@H](Cc2ccccc2)C(O)=O)[C@H]1OC(=O)c1ccccc1)[C@@H](O[C@@H]1O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]1O)C(=O)OC(C)C |r|

BDBM50072622

COc1cc(CC(O)=O)c(C2OC(C)C(O)C(O)C2O)c(OC)c1OC

BDBM50072621

COc1ccc(CC(O)=O)cc1C1OC(C)C(O)C(O)C1O

BDBM50072617

COc1ccc(CCCC(O)=O)cc1C1OC(C)C(O)C(O)C1O

BDBM50072620

COc1ccc(cc1C1OC(CO)C(O)C(O)C1O)C1(CCCCC1)C(O)=O

BDBM50072618

COc1ccc(cc1C1OCC(O)C(O)C1O)C1(CCCCC1)C(O)=O

BDBM50403680

COc1ccc(cc1[C@H]1O[C@@H](C)[C@@H](O)[C@H](O)[C@@H]1O)C1(CCCCC1)C(O)=O |r|

BDBM50403679

COc1ccc(cc1[C@H]1O[C@@H](C)[C@H](O)[C@H](O)[C@@H]1O)C1(CCCCC1)C(O)=O |r|

BDBM50201964

COc1ccc2[nH]cc(Cc3nc4c5CCCCc5ccc4c(C(O)=O)c3O)c2c1

BDBM50425861

COc1ccccc1CNc1ncc(C(=O)NC2CCN(C)CC2)c(NC2CCCC2)n1

BDBM50425875

COc1ccccc1CNc1ncc(C(=O)NCCCCN(C)C)c(NC2CCCC2)n1

BDBM50425831

COc1ccccc1CNc1ncc(C(=O)NCCCN2CCCC2=O)c(NC2CCCC2)n1

BDBM50425877

COc1ccccc1CNc1ncc(C(=O)NCCCO)c(NC2CCCC2)n1

BDBM50425876

COc1ccccc1CNc1ncc(C(=O)NCCNC(C)=O)c(NC2CCCC2)n1

BDBM50201980

CS(=O)(=O)N1CCc2ccc3c(C(O)=O)c(O)c(Cc4ccc(Cl)cc4)nc3c2C1

BDBM50050460

C[C@@H]1O[C@@H](O[C@@H]2CCO[C@H](CO)[C@H]2O[C@@H]2O[C@H](O)[C@H](OP(O)([O-])=O)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@@H]1O

BDBM50050455

C[C@@H]1O[C@@H](O[C@@H]2CCO[C@H](CO)[C@H]2O[C@@H]2O[C@H](O)[C@H](OS([O-])(=O)=O)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@@H]1O

BDBM50050458

C[C@@H]1O[C@@H](O[C@@H]2CCO[C@H](CO)[C@H]2O[C@@H]2O[C@H](O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)[C@@H](O3)[C@H](O)[C@H](O)CO)C(O)=O)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@@H]1O

BDBM50050459

C[C@@H]1O[C@@H](O[C@@H]2[C@@H](O)CO[C@H](CO)[C@H]2O[C@@H]2O[C@H](O)[C@H](OS([O-])(=O)=O)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@@H]1O

BDBM50050456

C[C@@H]1O[C@@H](O[C@@H]2[C@@H](O)CO[C@H](CO)[C@H]2O[C@@H]2O[C@H](O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)[C@@H](O3)[C@H](O)[C@H](O)CO)C(O)=O)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@@H]1O

BDBM50050454

C[C@@H]1O[C@@H](O[C@@H]2[C@H](CO[C@H](CO)[C@H]2O[C@@H]2O[C@H](O)[C@H](OS([O-])(=O)=O)[C@H](O)[C@H]2O)NC(C)=O)[C@@H](O)[C@H](O)[C@@H]1O

BDBM50050461

C[C@@H]1O[C@@H](O[C@@H]2[C@H](CO[C@H](CO)[C@H]2O[C@@H]2O[C@H](O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)[C@@H](O3)[C@H](O)[C@H](O)CO)C(O)=O)[C@H](O)[C@H]2O)NC(C)=O)[C@@H](O)[C@H](O)[C@@H]1O

BDBM50291308

C[C@@H]1O[C@@H](O[C@@H]2[C@H](N)[C@H](OCCCCCCN)O[C@@H](CO)[C@H]2O[C@@H]2O[C@@H](CO)[C@H](O)[C@H](O[C@@]3(C[C@@H](O)[C@@H](N)[C@@H](O3)[C@H](O)[C@H](O)CO)C(O)=O)[C@@H]2O)[C@@H](O)[C@@H](O)[C@@H]1O

BDBM50291309

C[C@@H]1O[C@@H](O[C@@H]2[C@H](NC(C)=O)[C@H](OCCCCCCN)O[C@@H](CO)[C@H]2O[C@@H]2O[C@@H](CO)[C@H](O)[C@H](O[C@@]3(C[C@@H](O)C[C@@H](O3)[C@H](O)[C@H](O)CO)C(O)=O)[C@@H]2O)[C@@H](O)[C@@H](O)[C@@H]1O

BDBM50291310

C[C@@H]1O[C@@H](O[C@@H]2[C@H](NC(C)=O)[C@H](OCCCCCCN)O[C@@H](CO)[C@H]2O[C@@H]2O[C@@H](CO)[C@H](O)[C@H](O[C@@]3(C[C@@H](O)[C@@H](N)[C@@H](O3)[C@H](O)[C@H](O)CO)C(O)=O)[C@@H]2O)[C@@H](O)[C@@H](O)[C@@H]1O

BDBM50214505

C[C@@H]1O[C@@H](O[C@@H]2[C@H](NC(C)=O)[C@H](OCCCCCCN)O[C@@H](CO)[C@H]2O[C@@H]2O[C@@H](CO)[C@H](O)[C@H](O[C@@]3(C[C@@H](O)[C@@H](NC(C)=O)[C@@H](O3)[C@H](O)[C@H](O)CO)C(O)=O)[C@@H]2O)[C@@H](O)[C@@H](O)[C@@H]1O

BDBM50288835

C[C@@H]1O[C@@H](O[C@@H]2[C@H](NC(C)=O)[C@H](OCCCCCCNC(=O)CCC(O)=O)O[C@@H](CO)[C@H]2O[C@@H]2O[C@@H](CO)[C@H](O)[C@H](O[C@@]3(C[C@@H](O)[C@@H](NC(C)=O)[C@@H](O3)[C@H](O)[C@H](O)CO)C(O)=O)[C@@H]2O)[C@@H](O)[C@@H](O)[C@@H]1O

BDBM50288834

C[C@@H]1O[C@@H](O[C@@H]2[C@H](NC(C)=O)[C@H](OCCCCCCNC(=O)[C@H]3CC[C@H](CN4C(=O)C=CC4=O)CC3)O[C@@H](CO)[C@H]2O[C@@H]2O[C@@H](CO)[C@H](O)[C@H](O[C@@]3(C[C@@H](O)[C@@H](NC(C)=O)[C@@H](O3)[C@H](O)[C@H](O)CO)C(O)=O)[C@@H]2O)[C@@H](O)[C@@H](O)[C@@H]1O |wU:49.52,51.64,5.4,42.44,6.6,55.58,22.21,71.76,47.50,77.83,11.11,62.66,53.56,1.0,wD:3.3,40.43,51.53,60.65,25.25,73.78,75.80,37.39,64.68,44.47,c:30,(10.58,2.63,;11.91,1.86,;11.91,.32,;13.25,-.45,;13.25,-1.99,;11.91,-2.76,;10.58,-1.99,;10.58,-.45,;9.25,.32,;9.25,1.86,;7.91,-.45,;9.25,-2.76,;7.91,-1.99,;6.58,-2.76,;5.25,-1.99,;3.91,-2.76,;2.58,-1.99,;1.24,-2.76,;-.09,-1.99,;-1.42,-2.76,;-2.76,-1.99,;-2.76,-.45,;-4.09,-2.76,;-4.09,-4.3,;-5.42,-5.07,;-6.76,-4.3,;-8.09,-5.07,;-9.42,-4.3,;-9.59,-2.77,;-8.44,-1.74,;-11.09,-2.45,;-11.86,-3.78,;-10.83,-4.93,;-11.15,-6.43,;-6.76,-2.76,;-5.42,-1.99,;9.25,-4.3,;10.58,-5.07,;10.58,-6.61,;9.25,-7.38,;11.91,-4.3,;13.25,-5.07,;13.25,-6.61,;11.91,-7.38,;11.91,-8.92,;10.58,-9.69,;10.58,-11.23,;13.25,-9.69,;13.25,-11.23,;14.58,-8.92,;15.92,-9.69,;15.92,-11.23,;16.44,-12.68,;15.45,-13.86,;15.98,-15.3,;13.94,-13.59,;12.95,-14.77,;13.47,-16.22,;14.99,-16.48,;12.48,-17.4,;13.41,-12.14,;14.4,-10.96,;11.89,-11.87,;11.37,-10.43,;10.9,-13.05,;11.43,-14.5,;9.39,-12.79,;8.4,-13.97,;17.43,-10.96,;17.96,-9.52,;18.42,-12.14,;14.58,-7.38,;15.92,-6.61,;14.58,.32,;15.92,-.45,;14.58,1.86,;15.92,2.63,;13.25,2.63,;13.25,4.17,)|

BDBM50313785

C[C@@H]1O[C@H](O[C@H]([C@@H](NC(C)=O)C=O)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](OC3(C[C@H](O)[C@@H](NC(C)=O)[C@@H](O3)[C@H](O)[C@H](O)CO)C(O)=O)[C@H]2O)[C@H](O)CO)[C@@H](O)[C@H](O)[C@@H]1O |r|

BDBM50168304

C[C@H](NC(=O)[C@@]1(O)C[C@@H](O)[C@H](O)[C@H](O)C1)C(O)=O |wU:5.5,10.10,12.12,wD:5.4,8.8,1.0,(-2.28,2.47,;-2.28,.93,;-.94,.16,;.4,.93,;.4,2.47,;1.74,.16,;3.07,.93,;.41,-.62,;.41,-2.17,;-.95,-2.95,;1.74,-2.95,;1.74,-4.49,;3.07,-2.17,;4.43,-2.95,;3.07,-.62,;-3.62,.16,;-4.95,.93,;-3.62,-1.4,)|

BDBM50290267

C[C@]12C[C@@]3(C[C@H]1O[C@H]1O[C@H](CO)[C@@H](O)[C@@H](O)[C@@H]1O)CCC1[C@@](C)(CCC[C@@]1(C)C(O)=O)C3CC2 |TLB:6:5:2:31.32.33|

BDBM50201960

Cc1[nH]c2ccccc2c1Cc1nc2c3CCCCc3ccc2c(C(O)=O)c1O

BDBM50205400

Cc1c(NC(=O)CCc2cc(O)c(O)c(O)c2)cccc1C(O)=O

BDBM50205387

Cc1c(NC(=O)Cc2cc(O)c(O)c(O)c2)cccc1C(O)=O

BDBM50205372

Cc1cc(O)c(O)c(O)c1

BDBM50422128

Cc1cc(cc(C)c1OCC(O)=O)-c1ccccc1O[C@H]1O[C@H](CO)[C@@H](O)[C@@H](O)[C@@H]1O |r|

BDBM50425869

Cc1cc(on1)-c1cnc(Nc2cc(Cl)cc(Cl)c2)nc1NC1CCNCC1

BDBM50422116

Cc1ccc(OCC(O)=O)cc1-c1ccccc1O[C@H]1O[C@H](CO)[C@@H](O)[C@@H](O)[C@@H]1O |r|

BDBM50205371

Cc1ccc(cc1NC(=O)CCc1cc(O)c(O)c(O)c1)C(O)=O

BDBM50205402

Cc1ccc(cc1NC(=O)Cc1cc(O)c(O)c(O)c1)C(O)=O

BDBM50201989

Cc1ccc(s1)-c1nc2c3CCCCc3ccc2c(C(O)=O)c1O

BDBM50201965

Cc1ccc2[nH]cc(Cc3nc4c5CCCCc5ccc4c(C(O)=O)c3O)c2c1

BDBM50201924

Cc1ccc2c(C(O)=O)c(O)c(nc2c1C)-c1ccccc1

BDBM50201986

Cc1cccc2c(C(O)=O)c(O)c(Cc3ccc(Cl)cc3)nc12

BDBM50425830

Clc1ccc(Cl)c(CNc2ncc(C(=O)NCCCN3CCCC3=O)c(NC3CCCC3)n2)c1

BDBM50425829

Clc1ccc(Cl)c(CNc2ncc(C(=O)NCCCN3CCOC3=O)c(NC3CCCC3)n2)c1

BDBM50201996

NC(=O)c1ccc(Cc2nc3c4CCCCc4ccc3c(C(O)=O)c2O)cc1

BDBM50100512

OC(=O)C1CC(=NO1)c1ccc(cc1)-c1nc([nH]c1-c1ccc(C=CC(=O)NCCCc2ccccc2)cc1)-c1ccc(cc1)N1CCCC1 |w:24.27,c:5|

BDBM50100511

OC(=O)C=Cc1ccc(cc1)-c1nc(c([nH]1)-c1ccc(C=CC(=O)NCCCc2ccccc2)cc1)-c1ccc(cc1)C1=NOC(C1)C(O)=O |w:21.23,3.2,t:47|

BDBM50205383

OC(=O)Cc1ccc(s1)-c1ccc(NC(=O)c2cccc(c2)-c2ccc(O)c(O)c2O)cc1

BDBM50205368

OC(=O)Cc1ccc(s1)-c1cccc(NC(=O)c2cccc(c2)-c2ccc(O)c(O)c2O)c1

BDBM50205390

OC(=O)Cc1ccc(s1)-c1ccccc1NC(=O)CCCc1cc(O)c(O)c(O)c1

BDBM50205382

OC(=O)Cc1ccc(s1)-c1ccccc1NC(=O)CCCc1ccc(O)c(O)c1O

BDBM50205395

OC(=O)Cc1ccc(s1)-c1ccccc1NC(=O)CCc1cc(O)c(O)c(O)c1

BDBM50205378

OC(=O)Cc1ccc(s1)-c1ccccc1NC(=O)CCc1ccc(O)c(O)c1O

BDBM50205384

OC(=O)Cc1ccc(s1)-c1ccccc1NC(=O)Cc1cc(O)c(O)c(O)c1

BDBM50205404

OC(=O)Cc1ccc(s1)-c1ccccc1NC(=O)Cc1ccc(O)c(O)c1O

BDBM50205392

OC(=O)Cc1ccc(s1)-c1ccccc1NC(=O)Cc1cccc(c1)-c1ccc(O)c(O)c1O

BDBM50205391

OC(=O)Cc1ccc(s1)-c1ccccc1NC(=O)\C=C\c1cc(O)c(O)c(O)c1

BDBM50205374

OC(=O)Cc1ccc(s1)-c1ccccc1NC(=O)\C=C\c1ccc(O)c(O)c1O

BDBM50205394

OC(=O)Cc1ccc(s1)-c1ccccc1NC(=O)c1ccc(cc1)-c1ccc(O)c(O)c1O

BDBM50205381

OC(=O)Cc1ccc(s1)-c1ccccc1NC(=O)c1cccc(c1)-c1cc(O)c(O)c(O)c1

BDBM50205389

OC(=O)Cc1ccc(s1)-c1ccccc1NC(=O)c1cccc(c1)-c1ccc(O)c(O)c1O

BDBM50205399

OC(=O)Cc1ccc(s1)-c1ccccc1NC(=O)c1ccccc1-c1cc(O)c(O)c(O)c1

BDBM50205375

OC(=O)Cc1cccc(NC(=O)CCc2cc(O)c(O)c(O)c2)c1

BDBM50205385

OC(=O)Cc1cccc(NC(=O)Cc2cc(O)c(O)c(O)c2)c1

BDBM50205379

OC(=O)Cc1cccc(c1)-c1ccccc1NC(=O)CCCNC(=O)c1cc(O)c(O)c(O)c1

BDBM50205398

OC(=O)Cc1cccc(c1)-c1ccccc1NC(=O)CCc1cc(O)c(O)c(O)c1

BDBM50205376

OC(=O)Cc1cccc(c1)-c1ccccc1NC(=O)Cc1cc(O)c(O)c(O)c1

BDBM50205377

OC(=O)Cc1cccc(c1)-c1ccccc1OC(=O)c1cc(O)c(O)c(O)c1

BDBM50205401

OC(=O)[C@H]1CC[C@@H](CC1)NC(=O)CCc1cc(O)c(O)c(O)c1 |wU:3.2,wD:6.9,(23.8,-27.36,;23.8,-25.82,;25.14,-25.06,;22.47,-25.04,;21.13,-25.81,;19.81,-25.04,;19.81,-23.5,;21.14,-22.72,;22.47,-23.5,;18.47,-22.73,;17.14,-23.5,;17.14,-25.04,;15.81,-22.73,;14.47,-23.5,;13.14,-22.73,;11.84,-23.55,;10.49,-22.82,;9.18,-23.62,;10.45,-21.27,;9.1,-20.53,;11.77,-20.47,;11.73,-18.93,;13.12,-21.2,)|

BDBM50205370

OC(=O)[C@H]1CC[C@@H](CC1)NC(=O)Cc1cc(O)c(O)c(O)c1 |wU:3.2,wD:6.9,(3.02,-25.63,;3.03,-24.09,;4.37,-23.33,;1.7,-23.32,;.36,-24.08,;-.97,-23.31,;-.97,-21.77,;.37,-21,;1.7,-21.78,;-2.3,-21.01,;-3.63,-21.78,;-3.63,-23.32,;-4.97,-21.01,;-6.3,-21.78,;-6.29,-23.3,;-7.62,-24.08,;-7.61,-25.62,;-8.96,-23.31,;-10.29,-24.08,;-8.96,-21.77,;-10.29,-21,;-7.63,-21,)|

BDBM50201951

OC(=O)c1c(O)c(CCc2ccccc2)nc2c3CCCCc3ccc12

BDBM50201958

OC(=O)c1c(O)c(Cc2c[nH]c3ccc(Br)cc23)nc2c3CCCCc3ccc12

BDBM50201969

OC(=O)c1c(O)c(Cc2c[nH]c3ccc(Cl)cc23)nc2c(cccc12)C(F)(F)F

BDBM50201973

OC(=O)c1c(O)c(Cc2c[nH]c3ccc(Cl)cc23)nc2c3CCCCc3ccc12

BDBM50201970

OC(=O)c1c(O)c(Cc2c[nH]c3ccccc23)nc2c(cccc12)-c1ccsc1

BDBM50201988

OC(=O)c1c(O)c(Cc2c[nH]c3ccccc23)nc2c3CCCCc3ccc12

BDBM50201994

OC(=O)c1c(O)c(Cc2ccc(Cl)cc2)nc2c(Br)cccc12

BDBM50201992

OC(=O)c1c(O)c(Cc2ccc(Cl)cc2)nc2c(Cl)cccc12

BDBM50201968

OC(=O)c1c(O)c(Cc2ccc(Cl)cc2)nc2c(OC(F)(F)F)cccc12

BDBM50201974

OC(=O)c1c(O)c(Cc2ccc(Cl)cc2)nc2c(cccc12)-c1ccccc1

BDBM50201967

OC(=O)c1c(O)c(Cc2ccc(Cl)cc2)nc2c(cccc12)-c1ccoc1

BDBM50201993

OC(=O)c1c(O)c(Cc2ccc(Cl)cc2)nc2c(cccc12)-c1ccsc1

BDBM50201962

OC(=O)c1c(O)c(Cc2ccc(Cl)cc2)nc2c(cccc12)C(F)(F)F

BDBM50201984

OC(=O)c1c(O)c(Cc2ccc(Cl)cc2)nc2c3CCCCc3ccc12

BDBM50201981

OC(=O)c1c(O)c(Cc2ccc(Cl)cc2)nc2c3CCCc3ccc12

BDBM50201952

OC(=O)c1c(O)c(Cc2ccc(Cl)cc2)nc2cc(Cl)ccc12

BDBM50201971

OC(=O)c1c(O)c(Cc2ccc(Cl)cc2)nc2ccc(Br)cc12

BDBM50201975

OC(=O)c1c(O)c(Cc2ccc(OC(F)(F)F)cc2)nc2c3CCCCc3ccc12

BDBM50201961

OC(=O)c1c(O)c(Cc2ccc(cc2)C#N)nc2c3CCCCc3ccc12

BDBM50201983

OC(=O)c1c(O)c(Cc2cccc(Cl)c2)nc2c3CCCCc3ccc12

BDBM50201977

OC(=O)c1c(O)c(Cc2ccccc2)nc2c3CCCCc3ccc12

BDBM50201959

OC(=O)c1c(O)c(Cc2ccccc2Cl)nc2c3CCCCc3ccc12

BDBM50201987

OC(=O)c1c(O)c(Cc2cccs2)nc2c3CCCCc3ccc12

BDBM50201963

OC(=O)c1c(O)c(Cc2ccsc2)nc2c3CCCCc3ccc12

BDBM50201955

OC(=O)c1c(O)c(Cc2coc3ccccc23)nc2c3CCCCc3ccc12

BDBM50201966

OC(=O)c1c(O)c(Cc2csc3ccccc23)nc2c3CCCCc3ccc12

BDBM50201978

OC(=O)c1c(O)c(Nc2ccc(Cl)cc2)nc2c(cccc12)C(F)(F)F

BDBM50593493

OC(=O)c1c(O)c(nc2c3CC(CCc3ccc12)C(F)(F)F)C1(CC1)c1ccc(Cl)cc1

BDBM50201995

OC(=O)c1c(O)c(nc2c3CCCCc3ccc12)-c1c[nH]c2ccccc12

BDBM50201957

OC(=O)c1c(O)c(nc2c3CCCCc3ccc12)-c1ccccc1

BDBM50201927

OC(=O)c1c(O)c(nc2ccccc12)-c1ccccc1

BDBM50201991

OC(=O)c1c(OC(=O)C2CCCCC2)c(Cc2ccc(Cl)cc2)nc2c3CCCCc3ccc12

BDBM50201998

OC(=O)c1c(OC(=O)c2ccccc2)c(Cc2ccc(Cl)cc2)nc2c3CCCCc3ccc12

BDBM50201976

OC(=O)c1c(OC(=O)c2cccs2)c(Cc2ccc(Cl)cc2)nc2c3CCCCc3ccc12

BDBM50201985

OC(=O)c1c(OCc2ccccc2)c(Cc2ccc(Cl)cc2)nc2c3CCCCc3ccc12

BDBM50085536

OC(=O)c1cc(O)c(O)c(O)c1

BDBM50205393

OC(=O)c1ccc(CNC(=O)CCc2cc(O)c(O)c(O)c2)cc1

BDBM50205373

OC(=O)c1ccc(CNC(=O)Cc2cc(O)c(O)c(O)c2)cc1

BDBM50205386

OC(=O)c1ccc(O)c(O)c1O

BDBM50205403

OC(=O)c1ccc(s1)-c1ccccc1NC(=O)c1cccc(c1)-c1ccc(O)c(O)c1O

BDBM50205380

OC(=O)c1cccc(NC(=O)CCc2cc(O)c(O)c(O)c2)c1

BDBM50205396

OC(=O)c1cccc(NC(=O)Cc2cc(O)c(O)c(O)c2)c1

BDBM50071587

OC1C(COCCCc2ccc(Oc3ccc(Oc4ccccc4)cc3)cc2)OC(CC(=O)NC(CCC(O)=O)C(O)=O)C(O)C1O

BDBM50071582

OCC1OC(CC(=O)N(C(CCC(O)=O)C(O)=O)C(CCC(O)=O)C(=O)NCC(O)=O)C(O)C(O)C1O

BDBM50071585

OCC1OC(CC(N(C(CCC(O)=O)C(O)=O)C(=O)CCC(O)=O)C(=O)NCC(O)=O)C(O)C(O)C1O

BDBM50422284

OCC1O[C@H](Oc2ccc(CCCCCc3ccc(O[C@H]4O[C@H](CO)[C@@H](O)[C@@H](O)[C@@H]4O)c(c3)-c3cccc(CC(O)=O)c3)cc2-c2cccc(CC(O)=O)c2)[C@@H](O)[C@H](O)[C@@H]1O |r|

BDBM50168303

OC[C@H](NC(=O)[C@@]1(O)C[C@@H](O)[C@H](O)[C@H](O)C1)C(O)=O |wU:6.6,11.11,13.13,wD:6.5,2.2,9.9,(1.73,1.74,;.4,.97,;.4,-.57,;1.73,-1.34,;3.06,-.57,;3.06,.97,;4.39,-1.34,;5.74,-.57,;3.06,-2.11,;3.06,-3.66,;1.73,-4.44,;4.39,-4.43,;4.39,-5.97,;5.74,-3.66,;7.08,-4.44,;5.74,-2.11,;-.93,-1.34,;-2.28,-.57,;-.93,-2.89,)|

BDBM50313788

OC[C@H]1O[C@@H]([C@@H](O)[C@@H](O)[C@@H]1O)C(F)(F)C(=O)N[C@@H](CCC(O)=O)C(O)=O |r|

BDBM50313789

OC[C@H]1O[C@@H]([C@@H](O)[C@@H](O)[C@@H]1O)C(F)(F)C(=O)Nc1cccc(c1)C(O)=O |r|

BDBM50422292

OC[C@H]1O[C@H](Oc2ccc(CCCC(=O)N3CCC(CCCC4CCN(CC4)C(=O)CCCc4ccc(O[C@H]5O[C@H](CO)[C@@H](O)[C@@H](O)[C@@H]5O)c(c4)-c4cccc(CC(O)=O)c4)CC3)cc2-c2cccc(CC(O)=O)c2)[C@@H](O)[C@H](O)[C@@H]1O |r|

BDBM50422285

OC[C@H]1O[C@H](Oc2ccc(CCCCCCCc3ccc(O[C@H]4O[C@H](CO)[C@@H](O)[C@@H](O)[C@@H]4O)c(c3)-c3cccc(CC(O)=O)c3)cc2-c2cccc(CC(O)=O)c2)[C@@H](O)[C@H](O)[C@@H]1O |r|

BDBM50422289

OC[C@H]1O[C@H](Oc2ccc(CCCCCCc3ccc(O)c(c3)-c3ccccc3CC(O)=O)cc2-c2cccc(CC(O)=O)c2)[C@@H](O)[C@H](O)[C@@H]1O |r|

BDBM50422286

OC[C@H]1O[C@H](Oc2ccc(CCCCCCc3ccc(O[C@H]4O[C@H](CO)[C@@H](O)[C@@H](O)[C@@H]4O)c(c3)-c3cccc(CC(O)=O)c3)cc2)[C@@H](O)[C@H](O)[C@@H]1O |r|

BDBM50422287

OC[C@H]1O[C@H](Oc2ccc(CCCCCCc3ccc(O[C@H]4O[C@H](CO)[C@@H](O)[C@@H](O)[C@@H]4O)c(c3)-c3cccc(CC(O)=O)c3)cc2-c2cccc(CC(O)=O)c2)[C@@H](O)[C@H](O)[C@@H]1O |r|

BDBM50324667

OC[C@H]1O[C@H](Oc2ccc(CCCCCCc3ccc(O[C@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]4O)c(c3)-c3cccc(CC(O)=O)c3)cc2-c2cccc(CC(O)=O)c2)[C@@H](O)[C@@H](O)[C@@H]1O |r|

BDBM50422291

OC[C@H]1O[C@H](Oc2ccc(CCCCCCc3ccc(c(O[C@H]4O[C@H](CO)[C@@H](O)[C@@H](O)[C@@H]4O)c3)-c3cccc(OCC(O)=O)c3)cc2-c2cccc(OCC(O)=O)c2)[C@@H](O)[C@H](O)[C@@H]1O |r|

BDBM50422293

OC[C@H]1O[C@H](Oc2ccc(CCCCc3ccc(O[C@H]4O[C@H](CO)[C@@H](O)[C@@H](O)[C@@H]4O)c(c3)-c3cccc(CC(O)=O)c3)cc2-c2cccc(CC(O)=O)c2)[C@@H](O)[C@H](O)[C@@H]1O |r|

BDBM50422279

OC[C@H]1O[C@H](Oc2ccc(CCCSCCCSCCCc3ccc(O[C@H]4O[C@H](CO)[C@@H](O)[C@@H](O)[C@@H]4O)c(c3)-c3cccc(CC(O)=O)c3)cc2-c2cccc(CC(O)=O)c2)[C@@H](O)[C@H](O)[C@@H]1O |r|

BDBM50422288

OC[C@H]1O[C@H](Oc2ccc(Cc3cc(Cc4ccc(O[C@H]5O[C@H](CO)[C@@H](O)[C@@H](O)[C@@H]5O)c(c4)-c4cccc(CC(O)=O)c4)cc(Cc4ccc(O[C@H]5O[C@H](CO)[C@@H](O)[C@@H](O)[C@@H]5O)c(c4)-c4cccc(CC(O)=O)c4)c3)cc2-c2cccc(CC(O)=O)c2)[C@@H](O)[C@H](O)[C@@H]1O |r|

BDBM50422295

OC[C@H]1O[C@H](Oc2ccc(Cc3ccc(Cc4ccc(O[C@H]5O[C@H](CO)[C@@H](O)[C@@H](O)[C@@H]5O)c(c4)-c4cccc(CC(O)=O)c4)cc3)cc2-c2cccc(CC(O)=O)c2)[C@@H](O)[C@H](O)[C@@H]1O |r|

BDBM50422283

OC[C@H]1O[C@H](Oc2ccc(Cc3ccc(Oc4ccc(Cc5ccc(O[C@H]6O[C@H](CO)[C@@H](O)[C@@H](O)[C@@H]6O)c(c5)-c5cccc(CC(O)=O)c5)cc4)cc3)cc2-c2cccc(CC(O)=O)c2)[C@@H](O)[C@H](O)[C@@H]1O |r|

BDBM50422294

OC[C@H]1O[C@H](Oc2ccc(Cc3cccc(Cc4ccc(O[C@H]5O[C@H](CO)[C@@H](O)[C@@H](O)[C@@H]5O)c(c4)-c4cccc(CC(O)=O)c4)c3)cc2-c2cccc(CC(O)=O)c2)[C@@H](O)[C@H](O)[C@@H]1O |r|

BDBM50422282

OC[C@H]1O[C@H](Oc2ccc(cc2-c2cccc(CC(O)=O)c2)C(=O)CCCCC(=O)c2ccc(O[C@H]3O[C@H](CO)[C@@H](O)[C@@H](O)[C@@H]3O)c(c2)-c2ccccc2CC(O)=O)[C@@H](O)[C@H](O)[C@@H]1O |r|

BDBM50422120

OC[C@H]1O[C@H](Oc2ccccc2-c2ccc(OCC(O)=O)cc2)[C@@H](O)[C@H](O)[C@@H]1O |r|

BDBM50422122

OC[C@H]1O[C@H](Oc2ccccc2-c2ccc(cc2)C(=O)NC(CC(O)=O)C(O)=O)[C@@H](O)[C@H](O)[C@@H]1O |r|

BDBM50205388

OC[C@H]1O[C@H](Oc2ccccc2-c2cccc(CC(O)=O)c2)[C@@H](O)[C@@H](O)[C@@H]1O

BDBM50422131

OC[C@H]1O[C@H](Oc2ccccc2-c2cccc(CC(O)=O)c2)[C@@H](O)[C@H](O)[C@@H]1O |r|

BDBM50422280

OC[C@H]1O[C@H](Oc2ccccc2-c2cccc(CCc3ccc(O[C@H]4O[C@H](CO)[C@@H](O)[C@@H](O)[C@@H]4O)c(c3)-c3cccc(CC(O)=O)c3)c2)[C@@H](O)[C@H](O)[C@@H]1O |r|

BDBM50422134

OC[C@H]1O[C@H](Oc2ccccc2-c2cccc(OC(C(O)=O)c3ccccc3)c2)[C@@H](O)[C@H](O)[C@@H]1O |r|

BDBM50422125

OC[C@H]1O[C@H](Oc2ccccc2-c2cccc(OCC(O)=O)c2)[C@@H](O)[C@H](O)[C@@H]1O |r|

BDBM50313790

OC[C@H]1O[C@H]([C@@H](O)[C@@H](O)[C@@H]1O)C(F)(F)C(=O)N[C@@H](CCC(O)=O)C(O)=O |r|

BDBM50313791

OC[C@H]1O[C@H]([C@@H](O)[C@@H](O)[C@@H]1O)C(F)(F)C(=O)Nc1cccc(c1)C(O)=O |r|

BDBM50313786

OC[C@H]1O[C@](O)([C@@H](O)[C@@H](O)[C@@H]1O)C(F)(F)C(=O)N[C@@H](CCC(O)=O)C(O)=O |r|

BDBM50313787

OC[C@H]1O[C@](O)([C@@H](O)[C@@H](O)[C@@H]1O)C(F)(F)C(=O)Nc1cccc(c1)C(O)=O |r|

BDBM50425867

O[C@@H]1COC[C@H]1Nc1nc(Nc2cc(Cl)cc(Cl)c2)ncc1-c1ccc(F)cc1 |r|

BDBM50425868

O[C@@H]1COC[C@H]1Nc1nc(Nc2cc(Cl)cc(Cl)c2)ncc1-c1cccnc1 |r|

BDBM50425866

O[C@@H]1COC[C@H]1Nc1nc(Nc2cc(Cl)cc(Cl)c2)ncc1Br |r|

BDBM50168308

O[C@@H]1C[C@@](O)(C[C@@H](O)[C@H]1O)C(=O)NCC(O)=O |wU:3.3,8.9,6.6,wD:3.10,1.0,(7.16,-4.84,;8.52,-4.05,;8.52,-2.5,;9.85,-1.73,;11.18,-.96,;11.18,-2.5,;11.18,-4.05,;12.54,-4.84,;9.85,-4.82,;9.85,-6.36,;8.5,-.96,;8.5,.6,;7.16,-1.73,;5.83,-.96,;4.5,-1.71,;3.16,-.94,;4.5,-3.26,)|

BDBM50168305

O[C@@H]1C[C@@](O)(C[C@@H](O)[C@H]1O)C(=O)NCCCC(O)=O |wU:3.3,8.9,6.6,wD:3.10,1.0,(-1.18,-2.07,;.15,-1.28,;.15,.26,;1.47,1.02,;2.81,1.79,;2.81,.26,;2.81,-1.28,;4.14,-2.07,;1.47,-2.05,;1.47,-3.58,;.15,1.79,;.15,3.32,;-1.18,1.02,;-2.51,1.79,;-3.85,1.02,;-5.17,1.79,;-6.5,1.02,;-7.84,1.79,;-6.5,-.52,)|

BDBM50168309

O[C@@H]1C[C@@](O)(C[C@@H](O)[C@H]1O)C(=O)NCCCCCC(O)=O |wU:3.3,8.9,6.6,wD:3.10,1.0,(4.45,-3.24,;5.8,-2.45,;5.8,-.91,;7.12,-.14,;8.46,.63,;8.46,-.91,;8.46,-2.45,;9.8,-3.24,;7.12,-3.22,;7.12,-4.76,;5.78,.63,;5.78,2.16,;4.45,-.14,;3.13,.63,;1.79,-.14,;.45,.63,;-.88,-.14,;-2.2,.63,;-3.53,-.14,;-4.87,.63,;-3.53,-1.68,)|

BDBM50168306

O[C@@H]1C[C@@](O)(C[C@@H](O)[C@H]1O)C(=O)N[C@@H](CCC(O)=O)C(O)=O |wU:13.13,3.3,8.9,6.6,wD:3.10,1.0,(2.22,-3.74,;3.55,-2.96,;3.55,-1.41,;4.88,-.64,;6.23,.13,;6.23,-1.41,;6.23,-2.96,;7.57,-3.74,;4.88,-3.73,;4.88,-5.27,;3.55,.13,;3.55,1.67,;2.22,-.64,;.89,.13,;-.44,-.64,;-1.79,.13,;-3.12,-.64,;-4.46,.13,;-3.12,-2.19,;.89,1.67,;-.46,2.44,;2.22,2.44,)|

BDBM50169053

O[C@@H]1C[C@](C[C@@H](O)[C@H]1O)(OCc1ccc(cc1)-c1ccccc1C(F)(F)F)C(O)=O |wU:3.29,1.0,wD:3.9,7.8,5.5,(9.33,-5.68,;8,-4.91,;8,-3.37,;6.67,-2.59,;5.34,-3.37,;5.34,-4.91,;4.01,-5.67,;6.67,-5.67,;6.66,-7.21,;5.58,-1.49,;4.08,-1.89,;2.73,-1.1,;1.4,-1.87,;.07,-1.1,;.07,.44,;1.4,1.21,;2.73,.44,;-1.26,1.21,;-2.59,.44,;-3.94,1.21,;-3.94,2.77,;-2.59,3.54,;-1.26,2.77,;.08,3.56,;-.72,4.9,;1.42,4.36,;.87,2.22,;7.07,-1.1,;8.55,-.7,;6.28,.23,)|

BDBM50214503

[#6]-[#6@@H]-1-[#8]-[#6@@H](-[#8]-[#6@@H]-2-[#6@H](-[#7]-[#6](-[#6])=O)-[#6@H](-[#8]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]\[#7]=[#6](/[#16])\[#7]=[#6]-3/[#6]=[#6]\[#6](\[#6](=[#6]-3)-[#6](-[#8])=O)=[#6]-3/c4ccc(-[#8])cc4-[#8]-c4cc(-[#8])ccc-34)-[#8]-[#6@@H](-[#6]-[#8])-[#6@H]-2-[#8]-[#6@@H]-2-[#8]-[#6@@H](-[#6]-[#8])-[#6@H](-[#8])-[#6@H](-[#8][C@@]3([#6]-[#6@@H](-[#8])-[#6@@H](-[#7]-[#6](-[#6])=O)-[#6@@H](-[#8]3)-[#6@H](-[#8])-[#6@H](-[#8])-[#6]-[#8])[#6](-[#8])=O)-[#6@@H]-2-[#8])-[#6@@H](-[#8])-[#6@@H](-[#8])-[#6@@H]-1-[#8] |c:24,27|

BDBM50214504

[#6]-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#8])=O)-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@@H](-[#7])-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6@@H]-1-[#8]-[#6@@H](-[#6]-[#8])-[#6@@H](-[#8]-[#6@@H]-2-[#8]-[#6@@H](-[#6]-[#8])-[#6@H](-[#8])-[#6@H](-[#8][C@@]3([#6]-[#6@@H](-[#8])-[#6@@H](-[#7]-[#6](-[#6])=O)-[#6@@H](-[#8]3)-[#6@H](-[#8])-[#6@H](-[#8])-[#6]-[#8])[#6](-[#8])=O)-[#6@@H]-2-[#8])-[#6@H](-[#8]-[#6@@H]-2-[#8]-[#6@@H](-[#6])-[#6@@H](-[#8])-[#6@H](-[#8])-[#6@@H]-2-[#8])-[#6@@H]-1-[#7]-[#6](-[#6])=O

BDBM50450369

[H][C@]1(O[C@@](C[C@H](O)[C@H]1NC(C)=O)(O[C@H]1[C@@H](O)[C@@H](CO)O[C@@H](O[C@H]([C@H](O)CO)[C@H](O[C@@H]2O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]2O)[C@@H](NC(C)=O)C=O)[C@@H]1O)C(O)=O)[C@H](O)[C@H](O)CO

BDBM50288839

[H][C@]12CS[C@@H](CCCCC(=O)NCCCCCCO[C@@H]3O[C@@H](CO)[C@@H](O[C@@H]4O[C@@H](CO)[C@H](O)[C@H](O[C@@]5(C[C@@H](O)[C@@H](NC(C)=O)[C@@H](O5)[C@H](O)[C@H](O)CO)C(O)=O)[C@@H]4O)[C@H](O[C@@H]4O[C@@H](C)[C@@H](O)[C@H](O)[C@@H]4O)[C@@H]3NC(C)=O)[C@@]1([H])NC(=O)N2

BDBM50050500

[Na+].CCCCCCCCCCCCCCC(CCCCCCCCCCCCCC)CO[C@@H]1O[C@@H](CO)[C@@H](O[C@@H]2O[C@@H](CO)[C@H](O)[C@@H]([C@@H]2O)S([O-])(=O)=O)[C@H](O[C@H]2O[C@@H](C)[C@@H](O)[C@H](O)[C@@H]2O)[C@@H]1O |r|