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880 SMILES Strings for Bile acid receptor FXR

Compound NameSMILES String
BDBM19441 Oc1ccc(cc1)-c1sc2cc(O)ccc2c1C(=O)c1ccc(OCCN2CCCCC2)cc1
BDBM21282 CCCn1c(C)c(C(=O)c2cccc3ccccc23)c2ccccc12
BDBM19993 OC(c1ccc(cc1)N(CC(F)(F)F)S(=O)(=O)c1ccccc1)(C(F)(F)F)C(F)(F)F
BDBM22876 [#6]-[#6]-[#8]-[#6](=O)-[#7]-1-[#6]-[#6]\[#6](-[#6]-[#6]-1)=[#6]-1\c2ccc(Cl)cc2-[#6]-[#6]-c2cccnc-12
BDBM21710 CCCNC(=O)c1cccc(\C=C\c2ccc(OCc3c(noc3C(C)C)-c3c(Cl)cccc3Cl)cc2Cl)c1 |(16.62,-2.19,;15.28,-2.96,;13.95,-2.19,;12.61,-2.96,;11.28,-2.19,;11.28,-.65,;9.95,-2.96,;9.95,-4.5,;8.61,-5.27,;7.28,-4.5,;7.28,-2.96,;5.95,-2.19,;4.61,-2.96,;3.28,-2.19,;3.28,-.65,;1.95,.12,;.61,-.65,;-.29,.6,;-1.82,.44,;-2.73,1.68,;-4.27,1.68,;-4.75,3.15,;-3.5,4.05,;-2.25,3.15,;-.79,3.62,;-.47,5.13,;.35,2.59,;-5.18,.44,;-6.7,.62,;-7.31,2.03,;-7.63,-.62,;-7.02,-2.03,;-5.49,-2.21,;-4.57,-.98,;-3.04,-1.16,;.61,-2.19,;1.95,-2.96,;1.95,-4.5,;8.61,-2.19,)|
BDBM21674 [H][C@@]1(CC[C@@]2([H])[C@]3([H])[C@H](O)C[C@]4([H])C[C@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CCC(O)=O
BDBM21675 [H][C@@]1(CC[C@@]2([H])[C@]3([H])[C@H](O)[C@H](CC)[C@]4([H])C[C@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CCC(O)=O
BDBM21676 [H][C@@]1(CC[C@@]2([H])[C@]3([H])[C@H](O)C[C@]4([H])C[C@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)C[C@H](C)C(O)=O
BDBM21677 [H][C@@]1(CC[C@@]2([H])[C@]3([H])[C@H](O)C[C@]4([H])C[C@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)C[C@@H](C)C(O)=O
BDBM21678 [H][C@@]1(CC[C@@]2([H])[C@]3([H])[C@H](O)[C@H](C)[C@]4([H])C[C@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)C[C@H](C)C(O)=O
BDBM21679 [H][C@@]1(CC[C@@]2([H])[C@]3([H])[C@H](O)[C@H](CC)[C@]4([H])C[C@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)C[C@H](C)C(O)=O
BDBM21680 [H][C@@]1(CC[C@@]2([H])[C@]3([H])[C@H](O)C[C@]4([H])C[C@H](O)CC[C@]4(C)[C@@]3([H])C[C@H](O)[C@]12C)[C@H](C)CCC(O)=O
BDBM21711 CC(C)c1onc(c1COc1ccc(\C=C\c2cccc(c2)C(=O)N(Cc2ccccc2)Cc2ccccc2)c(Cl)c1)-c1c(Cl)cccc1Cl |(-.47,5.13,;-.79,3.62,;.35,2.59,;-2.25,3.15,;-3.5,4.05,;-4.75,3.15,;-4.27,1.68,;-2.73,1.68,;-1.82,.44,;-.29,.6,;.61,-.65,;1.95,.12,;3.28,-.65,;3.28,-2.19,;4.61,-2.96,;5.95,-2.19,;7.28,-2.96,;7.28,-4.5,;8.61,-5.27,;9.95,-4.5,;9.95,-2.96,;8.61,-2.19,;11.28,-2.19,;11.28,-.65,;12.61,-2.96,;13.95,-2.19,;13.95,-.65,;12.62,.12,;12.62,1.66,;13.95,2.43,;15.28,1.66,;15.28,.12,;12.61,-4.5,;13.95,-5.27,;13.95,-6.81,;15.28,-7.58,;16.62,-6.81,;16.62,-5.27,;15.28,-4.5,;1.95,-2.96,;1.95,-4.5,;.61,-2.19,;-5.18,.44,;-6.65,.88,;-7,2.38,;-7.77,-.17,;-7.42,-1.67,;-5.95,-2.12,;-4.82,-1.06,;-3.35,-1.51,)|
BDBM21712 CC(C)c1onc(c1COc1ccc(C(=O)Nc2cccc(c2)C(O)=O)c(Cl)c1)-c1c(Cl)cccc1Cl |(-.47,5.13,;-.79,3.62,;.35,2.59,;-2.25,3.15,;-3.5,4.05,;-4.75,3.15,;-4.27,1.68,;-2.73,1.68,;-1.82,.44,;-.29,.6,;.61,-.65,;1.95,.12,;3.28,-.65,;3.28,-2.19,;4.61,-2.96,;4.61,-4.5,;5.95,-2.19,;7.28,-2.96,;7.28,-4.5,;8.61,-5.27,;9.95,-4.5,;9.95,-2.96,;8.61,-2.19,;11.28,-2.19,;12.61,-2.96,;11.28,-.65,;1.95,-2.96,;1.95,-4.5,;.61,-2.19,;-5.18,.44,;-6.65,.88,;-7,2.38,;-7.77,-.17,;-7.42,-1.67,;-5.95,-2.12,;-4.82,-1.06,;-3.35,-1.51,)|
BDBM21713 CC(C)c1onc(c1COc1ccc(C(=O)N(C)c2cccc(c2)C(O)=O)c(Cl)c1)-c1c(Cl)cccc1Cl |(-.47,5.13,;-.79,3.62,;.35,2.59,;-2.25,3.15,;-3.5,4.05,;-4.75,3.15,;-4.27,1.68,;-2.73,1.68,;-1.82,.44,;-.29,.6,;.61,-.65,;1.95,.12,;3.28,-.65,;3.28,-2.19,;4.61,-2.96,;4.61,-4.5,;5.95,-2.19,;5.95,-.65,;7.28,-2.96,;7.28,-4.5,;8.61,-5.27,;9.95,-4.5,;9.95,-2.96,;8.61,-2.19,;11.28,-2.19,;12.61,-2.96,;11.28,-.65,;1.95,-2.96,;1.95,-4.5,;.61,-2.19,;-5.18,.44,;-6.65,.88,;-7,2.38,;-7.77,-.17,;-7.42,-1.67,;-5.95,-2.12,;-4.82,-1.06,;-3.35,-1.51,)|
BDBM21714 CCCN(C(=O)c1ccc(OCc2c(onc2-c2c(Cl)cccc2Cl)C(C)C)cc1Cl)c1cccc(c1)C(O)=O |(4.61,1.66,;4.61,.12,;5.95,-.65,;5.95,-2.19,;4.61,-2.96,;4.61,-4.5,;3.28,-2.19,;3.28,-.65,;1.95,.12,;.61,-.65,;-.29,.6,;-1.82,.44,;-2.73,1.68,;-2.25,3.15,;-3.5,4.05,;-4.75,3.15,;-4.27,1.68,;-5.18,.44,;-6.65,.88,;-7,2.38,;-7.77,-.17,;-7.42,-1.67,;-5.95,-2.12,;-4.82,-1.06,;-3.35,-1.51,;-.79,3.62,;-.47,5.13,;.35,2.59,;.61,-2.19,;1.95,-2.96,;1.95,-4.5,;7.28,-2.96,;7.28,-4.5,;8.61,-5.27,;9.95,-4.5,;9.95,-2.96,;8.61,-2.19,;11.28,-2.19,;12.61,-2.96,;11.28,-.65,)|
BDBM21715 CC(C)c1onc(c1COc1ccc(C(=O)N(Cc2ccccc2)c2cccc(c2)C(O)=O)c(Cl)c1)-c1c(Cl)cccc1Cl |(-.47,5.13,;-.79,3.62,;.35,2.59,;-2.25,3.15,;-3.5,4.05,;-4.75,3.15,;-4.27,1.68,;-2.73,1.68,;-1.82,.44,;-.29,.6,;.61,-.65,;1.95,.12,;3.28,-.65,;3.28,-2.19,;4.61,-2.96,;4.61,-4.5,;5.95,-2.19,;5.95,-.65,;7.28,.12,;7.28,1.66,;8.61,2.43,;9.95,1.66,;9.95,.12,;8.61,-.65,;7.28,-2.96,;7.28,-4.5,;8.61,-5.27,;9.95,-4.5,;9.95,-2.96,;8.61,-2.19,;11.28,-2.19,;12.61,-2.96,;11.28,-.65,;1.95,-2.96,;1.95,-4.5,;.61,-2.19,;-5.18,.44,;-6.65,.88,;-7,2.38,;-7.77,-.17,;-7.42,-1.67,;-5.95,-2.12,;-4.82,-1.06,;-3.35,-1.51,)|
BDBM21716 CC(C)c1onc(c1COc1ccc(C(=O)N(CCc2ccccc2)c2cccc(c2)C(O)=O)c(Cl)c1)-c1c(Cl)cccc1Cl |(-.47,5.13,;-.79,3.62,;.35,2.59,;-2.25,3.15,;-3.5,4.05,;-4.75,3.15,;-4.27,1.68,;-2.73,1.68,;-1.82,.44,;-.29,.6,;.61,-.65,;1.95,.12,;3.28,-.65,;3.28,-2.19,;4.61,-2.96,;4.61,-4.5,;5.95,-2.19,;5.95,-.65,;7.28,.12,;7.28,1.66,;5.95,2.43,;5.95,3.97,;7.28,4.74,;8.61,3.97,;8.61,2.43,;7.28,-2.96,;7.28,-4.5,;8.61,-5.27,;9.95,-4.5,;9.95,-2.96,;8.61,-2.19,;11.28,-2.19,;12.61,-2.96,;11.28,-.65,;1.95,-2.96,;1.95,-4.5,;.61,-2.19,;-5.18,.44,;-6.65,.88,;-7,2.38,;-7.77,-.17,;-7.42,-1.67,;-5.95,-2.12,;-4.82,-1.06,;-3.35,-1.51,)|
BDBM21717 CC(C)(C)c1onc(c1COc1ccc(\C=C\c2cccc(c2)C(O)=O)c(Cl)c1)-c1c(Cl)cccc1Cl |(-.47,5.13,;-.79,3.62,;.35,2.59,;.68,4.1,;-2.25,3.15,;-3.5,4.05,;-4.75,3.15,;-4.27,1.68,;-2.73,1.68,;-1.82,.44,;-.29,.6,;.61,-.65,;1.95,.12,;3.28,-.65,;3.28,-2.19,;4.61,-2.96,;5.95,-2.19,;7.28,-2.96,;7.28,-4.5,;8.61,-5.27,;9.95,-4.5,;9.95,-2.96,;8.61,-2.19,;11.28,-2.19,;12.61,-2.96,;11.28,-.65,;1.95,-2.96,;1.95,-4.5,;.61,-2.19,;-5.18,.44,;-6.65,.88,;-7,2.38,;-7.77,-.17,;-7.42,-1.67,;-5.95,-2.12,;-4.82,-1.06,;-3.35,-1.51,)|
BDBM21718 OC(=O)c1cccc(\C=C\c2ccc(OCc3c(noc3-c3ccccc3)-c3c(Cl)cccc3Cl)cc2Cl)c1 |(12.61,-2.96,;11.28,-2.19,;11.28,-.65,;9.95,-2.96,;9.95,-4.5,;8.61,-5.27,;7.28,-4.5,;7.28,-2.96,;5.95,-2.19,;4.61,-2.96,;3.28,-2.19,;3.28,-.65,;1.95,.12,;.61,-.65,;-.29,.6,;-1.82,.44,;-2.73,1.68,;-4.27,1.68,;-4.75,3.15,;-3.5,4.05,;-2.25,3.15,;-.79,3.62,;-.79,5.16,;.54,5.93,;1.88,5.16,;1.88,3.62,;.54,2.85,;-5.18,.44,;-6.65,.88,;-7,2.38,;-7.77,-.17,;-7.42,-1.67,;-5.95,-2.12,;-4.82,-1.06,;-3.35,-1.51,;.61,-2.19,;1.95,-2.96,;1.95,-4.5,;8.61,-2.19,)|
BDBM21719 OC(=O)c1cccc(\C=C\c2ccc(OCc3c(noc3-c3ccc4ccccc4c3)-c3c(Cl)cccc3Cl)cc2Cl)c1 |(12.61,-2.96,;11.28,-2.19,;11.28,-.65,;9.95,-2.96,;9.95,-4.5,;8.61,-5.27,;7.28,-4.5,;7.28,-2.96,;5.95,-2.19,;4.61,-2.96,;3.28,-2.19,;3.28,-.65,;1.95,.12,;.61,-.65,;-.29,.6,;-1.82,.44,;-2.73,1.68,;-4.27,1.68,;-4.75,3.15,;-3.5,4.05,;-2.25,3.15,;-.79,3.62,;-.79,5.16,;.54,5.93,;1.88,5.16,;3.21,5.93,;4.55,5.16,;4.55,3.62,;3.21,2.85,;1.88,3.62,;.54,2.85,;-5.18,.44,;-6.65,.88,;-7,2.38,;-7.77,-.17,;-7.42,-1.67,;-5.95,-2.12,;-4.82,-1.06,;-3.35,-1.51,;.61,-2.19,;1.95,-2.96,;1.95,-4.5,;8.61,-2.19,)|
BDBM21720 OC(=O)c1cccc(\C=C\c2ccc(OCc3c(noc3-c3ccc(cc3)-c3ccccc3)-c3c(Cl)cccc3Cl)cc2Cl)c1 |(12.61,-2.96,;11.28,-2.19,;11.28,-.65,;9.95,-2.96,;9.95,-4.5,;8.61,-5.27,;7.28,-4.5,;7.28,-2.96,;5.95,-2.19,;4.61,-2.96,;3.28,-2.19,;3.28,-.65,;1.95,.12,;.61,-.65,;-.29,.6,;-1.82,.44,;-2.73,1.68,;-4.27,1.68,;-4.75,3.15,;-3.5,4.05,;-2.25,3.15,;-.79,3.62,;-.28,5.07,;1.24,5.36,;2.24,4.19,;1.73,2.73,;.21,2.45,;3.73,4.59,;4.07,6.09,;5.54,6.54,;6.67,5.5,;6.33,3.99,;4.86,3.54,;-5.18,.44,;-6.65,.88,;-7,2.38,;-7.77,-.17,;-7.42,-1.67,;-5.95,-2.12,;-4.82,-1.06,;-3.35,-1.51,;.61,-2.19,;1.95,-2.96,;1.95,-4.5,;8.61,-2.19,)|
BDBM21721 CC(C)(C)c1onc(c1COc1ccc(C(=O)Nc2cccc(c2)C(O)=O)c(Cl)c1)-c1c(Cl)cccc1Cl |(-.47,5.13,;-.79,3.62,;.35,2.59,;.68,4.1,;-2.25,3.15,;-3.5,4.05,;-4.75,3.15,;-4.27,1.68,;-2.73,1.68,;-1.82,.44,;-.29,.6,;.61,-.65,;1.95,.12,;3.28,-.65,;3.28,-2.19,;4.61,-2.96,;4.61,-4.5,;5.95,-2.19,;7.28,-2.96,;7.28,-4.5,;8.61,-5.27,;9.95,-4.5,;9.95,-2.96,;8.61,-2.19,;11.28,-2.19,;12.61,-2.96,;11.28,-.65,;1.95,-2.96,;1.95,-4.5,;.61,-2.19,;-5.18,.44,;-6.65,.88,;-7,2.38,;-7.77,-.17,;-7.42,-1.67,;-5.95,-2.12,;-4.82,-1.06,;-3.35,-1.51,)|
BDBM21722 OC(=O)c1cccc(NC(=O)c2ccc(OCc3c(noc3-c3ccc4ccccc4c3)-c3c(Cl)cccc3Cl)cc2Cl)c1 |(12.61,-2.96,;11.28,-2.19,;11.28,-.65,;9.95,-2.96,;9.95,-4.5,;8.61,-5.27,;7.28,-4.5,;7.28,-2.96,;5.95,-2.19,;4.61,-2.96,;4.61,-4.5,;3.28,-2.19,;3.28,-.65,;1.95,.12,;.61,-.65,;-.29,.6,;-1.82,.44,;-2.73,1.68,;-4.27,1.68,;-4.75,3.15,;-3.5,4.05,;-2.25,3.15,;-.79,3.62,;-.79,5.16,;.54,5.93,;1.88,5.16,;3.21,5.93,;4.55,5.16,;4.55,3.62,;3.21,2.85,;1.88,3.62,;.54,2.85,;-5.18,.44,;-6.65,.88,;-7,2.38,;-7.77,-.17,;-7.42,-1.67,;-5.95,-2.12,;-4.82,-1.06,;-3.35,-1.51,;.61,-2.19,;1.95,-2.96,;1.95,-4.5,;8.61,-2.19,)|
BDBM21723 OC(=O)c1cccc(NC(=O)c2ccc(OCc3c(noc3-c3ccc(cc3)-c3ccccc3)-c3c(Cl)cccc3Cl)cc2Cl)c1 |(12.61,-2.96,;11.28,-2.19,;11.28,-.65,;9.95,-2.96,;9.95,-4.5,;8.61,-5.27,;7.28,-4.5,;7.28,-2.96,;5.95,-2.19,;4.61,-2.96,;4.61,-4.5,;3.28,-2.19,;3.28,-.65,;1.95,.12,;.61,-.65,;-.29,.6,;-1.82,.44,;-2.73,1.68,;-4.27,1.68,;-4.75,3.15,;-3.5,4.05,;-2.25,3.15,;-.79,3.62,;-.5,5.13,;.96,5.64,;2.12,4.63,;1.83,3.11,;.37,2.61,;3.58,5.13,;3.58,6.67,;4.91,7.44,;6.25,6.67,;6.25,5.13,;4.91,4.36,;-5.18,.44,;-6.65,.88,;-7,2.38,;-7.77,-.17,;-7.42,-1.67,;-5.95,-2.12,;-4.82,-1.06,;-3.35,-1.51,;.61,-2.19,;1.95,-2.96,;1.95,-4.5,;8.61,-2.19,)|
BDBM21724 CC(C)c1onc(c1COc1ccc(\C=C\c2cccc(c2)C(O)=O)c(Cl)c1)-c1c(Cl)cccc1Cl |(-5,9.13,;-4.28,7.76,;-2.74,7.7,;-5.11,6.46,;-6.65,6.36,;-7.03,4.87,;-5.73,4.05,;-4.54,5.03,;-3.21,4.26,;-1.87,5.03,;-.54,4.26,;.79,5.03,;2.13,4.26,;2.13,2.72,;3.46,1.95,;4.79,2.72,;6.13,1.95,;6.13,.41,;7.46,-.36,;8.79,.41,;8.79,1.95,;7.46,2.72,;10.13,2.72,;11.46,1.95,;10.13,4.26,;.79,1.95,;.79,.41,;-.54,2.72,;-5.63,2.51,;-4.28,1.78,;-2.97,2.59,;-4.23,.24,;-5.54,-.57,;-6.9,.16,;-6.94,1.7,;-8.3,2.43,)|
BDBM21725 [H][C@@]12CC(=O)C(=CC)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CCC2=CC(=O)CC[C@]12C |w:6.6,t:20|
BDBM28533 CCOC(=O)C1=CN(CC(C)c2c1[nH]c1ccccc21)C(=O)c1ccc(F)cc1 |t:5|
BDBM28534 CCOC(=O)C1=CN(CC(C)c2c1[nH]c1ccccc21)C(=O)c1ccc(Cl)cc1 |t:5|
BDBM28535 CCOC(=O)C1=CN(CC(C)c2c1[nH]c1ccccc21)C(=O)c1ccc(OC)cc1 |t:5|
BDBM28536 CCOC(=O)C1=CN(CC(C)c2c1[nH]c1ccccc21)C(=O)c1ccc(F)c(F)c1 |t:5|
BDBM28537 CCOC(=O)C1=CN(CC(C)(C)c2c1[nH]c1ccccc21)C(=O)c1ccc(F)cc1 |t:5|
BDBM28538 CCOC(=O)C1=CN(CC(C)(C)c2c1[nH]c1ccccc21)C(=O)c1ccc(F)c(F)c1 |t:5|
BDBM28539 CCOC(=O)C1=CN(CC(C)(C)c2c1[nH]c1ccccc21)C(=O)c1ccc(Cl)cc1 |t:5|
BDBM28540 CCOC(=O)C1=CN(CC(C)(C)c2c1[nH]c1ccccc21)C(=O)c1ccc(OC)cc1 |t:5|
BDBM28541 CC(C)OC(=O)C1=CN(CC(C)(C)c2c1[nH]c1ccccc21)C(=O)c1ccc(F)cc1 |t:6|
BDBM28542 CC(C)OC(=O)C1=CN(CC(C)(C)c2c1[nH]c1ccccc21)C(=O)c1ccc(F)c(F)c1 |t:6|
BDBM28529 CCOC(=O)C1=CN(CCc2c1[nH]c1ccccc21)C(=O)c1ccc(F)cc1 |t:5|
BDBM28530 CC(C)OC(=O)C1=CN(CCc2c1[nH]c1ccccc21)C(=O)c1ccc(F)cc1 |t:6|
BDBM28531 CCCOC(=O)C1=CN(CCc2c1[nH]c1ccccc21)C(=O)c1ccc(F)cc1 |t:6|
BDBM28532 CCCCOC(=O)C1=CN(CCc2c1[nH]c1ccccc21)C(=O)c1ccc(F)cc1 |t:7|
BDBM31770 Clc1ccc(CSC(Cn2ccnc2)c2ccc(Cl)cc2Cl)cc1
BDBM31774 Clc1ccccc1C(c1ccccc1)(c1ccccc1)n1ccnc1
BDBM30336 CC(Cl)c1onc(c1COc1ccc(c(C)c1)-c1ccc2c(cn(C)c2c1)C(O)=O)-c1c(Cl)cncc1Cl |(-7.74,10.6,;-9.27,10.77,;-9.88,12.18,;-10.19,9.53,;-11.73,9.55,;-12.21,8.09,;-10.98,7.17,;-9.72,8.07,;-8.39,7.3,;-7.05,8.07,;-5.72,7.3,;-5.72,5.76,;-4.39,4.99,;-3.05,5.76,;-3.05,7.3,;-1.72,8.07,;-4.39,8.07,;-1.65,5.13,;-.4,6.03,;1.01,5.41,;1.17,3.88,;2.41,2.97,;1.94,1.51,;.4,1.51,;-.51,.26,;-.08,2.97,;-1.49,3.6,;3.88,3.45,;5.21,2.68,;4.04,4.98,;-10.99,5.63,;-12.32,4.86,;-13.66,5.63,;-12.32,3.32,;-10.99,2.55,;-9.66,3.32,;-9.66,4.86,;-8.32,5.63,)|
BDBM30337 CC(Cl)c1onc(c1COc1ccc(c(C)c1)-c1ccc2c(cn(C)c2c1)C(O)=O)-c1c(Cl)c[n+]([O-])cc1Cl |(-7.74,10.6,;-9.27,10.77,;-9.88,12.18,;-10.19,9.53,;-11.73,9.55,;-12.21,8.09,;-10.98,7.17,;-9.72,8.07,;-8.39,7.3,;-7.05,8.07,;-5.72,7.3,;-5.72,5.76,;-4.39,4.99,;-3.05,5.76,;-3.05,7.3,;-1.72,8.07,;-4.39,8.07,;-1.65,5.13,;-.4,6.03,;1.01,5.41,;1.17,3.88,;2.41,2.97,;1.94,1.51,;.4,1.51,;-.51,.26,;-.08,2.97,;-1.49,3.6,;3.88,3.45,;5.21,2.68,;4.04,4.98,;-10.99,5.63,;-12.32,4.86,;-13.66,5.63,;-12.32,3.32,;-10.99,2.55,;-10.99,1.01,;-9.66,3.32,;-9.66,4.86,;-8.32,5.63,)|
BDBM30338 CC(Cl)c1onc(c1COc1ccc(c(C)c1)-c1ccc2c(cn(C)c2c1)C(O)=O)-c1cc[nH]c(=O)c1Cl
BDBM30339 CC(Cl)c1onc(c1COc1ccc(c(C)c1)-c1ccc2c(cn(C)c2c1)C(O)=O)-c1ccn(C)c(=O)c1Cl
BDBM30340 CC(Cl)c1onc(c1COc1ccc(c(C)c1)-c1ccc2c(cn(C)c2c1)C(O)=O)-c1c(Cl)cn(C)c(=O)c1Cl |(-7.74,10.6,;-9.27,10.77,;-9.88,12.18,;-10.19,9.53,;-11.73,9.55,;-12.21,8.09,;-10.98,7.17,;-9.72,8.07,;-8.39,7.3,;-7.05,8.07,;-5.72,7.3,;-5.72,5.76,;-4.39,4.99,;-3.05,5.76,;-3.05,7.3,;-1.72,8.07,;-4.39,8.07,;-1.65,5.13,;-.4,6.03,;1.01,5.41,;1.17,3.88,;2.41,2.97,;1.94,1.51,;.4,1.51,;-.51,.26,;-.08,2.97,;-1.49,3.6,;3.88,3.45,;5.21,2.68,;4.04,4.98,;-10.99,5.63,;-12.32,4.86,;-13.66,5.63,;-12.32,3.32,;-10.99,2.55,;-10.99,1.01,;-9.66,3.32,;-8.32,2.55,;-9.66,4.86,;-8.32,5.63,)|
BDBM30341 CC(Cl)c1onc(c1COc1ccc(c(C)c1)-c1ccc2c(cn(C)c2c1)C(O)=O)-c1c(Cl)ccc(=O)n1C |(-7.74,10.6,;-9.27,10.77,;-9.88,12.18,;-10.19,9.53,;-11.73,9.55,;-12.21,8.09,;-10.98,7.17,;-9.72,8.07,;-8.39,7.3,;-7.05,8.07,;-5.72,7.3,;-5.72,5.76,;-4.39,4.99,;-3.05,5.76,;-3.05,7.3,;-1.72,8.07,;-4.39,8.07,;-1.65,5.13,;-.4,6.03,;1.01,5.41,;1.17,3.88,;2.41,2.97,;1.94,1.51,;.4,1.51,;-.51,.26,;-.08,2.97,;-1.49,3.6,;3.88,3.45,;5.21,2.68,;4.04,4.98,;-10.99,5.63,;-12.32,4.86,;-13.66,5.63,;-12.32,3.32,;-10.99,2.55,;-9.66,3.32,;-8.32,2.55,;-9.66,4.86,;-8.32,5.63,)|
BDBM30342 COc1ccc(Cl)c(n1)-c1noc(C(C)Cl)c1COc1ccc(c(C)c1)-c1ccc2c(cn(C)c2c1)C(O)=O
BDBM30343 CC(Cl)c1onc(c1COc1ccc(c(C)c1)-c1ccc2c(cn(C)c2c1)C(O)=O)-c1[nH]c(=O)ccc1Cl
BDBM30329 CC(C)c1onc(c1COc1ccc(cc1)-c1ccc2c(cccc2c1)C(O)=O)-c1c(Cl)cccc1Cl |(-3.6,6.71,;-2.16,7.25,;-1.91,8.77,;-.97,6.27,;.52,6.66,;1.35,5.37,;.38,4.18,;-1.06,4.74,;-2.39,3.97,;-3.73,4.74,;-5.06,3.97,;-6.39,4.74,;-7.73,3.97,;-7.73,2.43,;-6.39,1.66,;-5.06,2.43,;-9.06,1.66,;-9.06,.12,;-10.39,-.65,;-11.73,.12,;-13.06,-.65,;-14.39,.12,;-14.39,1.66,;-13.06,2.43,;-11.73,1.66,;-10.39,2.43,;-13.06,-2.19,;-14.39,-2.96,;-11.73,-2.96,;.76,2.69,;-.28,1.55,;-1.78,1.89,;.18,.08,;1.68,-.26,;2.73,.88,;2.27,2.35,;3.31,3.48,)|
BDBM30330 CC(C)c1onc(c1COc1ccc(cc1)-c1ccc2cc(ccc2c1)C(O)=O)-c1c(Cl)cccc1Cl |(-3.6,6.71,;-2.16,7.25,;-1.91,8.77,;-.97,6.27,;.52,6.66,;1.35,5.37,;.38,4.18,;-1.06,4.74,;-2.39,3.97,;-3.73,4.74,;-5.06,3.97,;-6.39,4.74,;-7.73,3.97,;-7.73,2.43,;-6.39,1.66,;-5.06,2.43,;-9.06,1.66,;-9.06,.12,;-10.39,-.65,;-11.73,.12,;-13.06,-.65,;-14.39,.12,;-14.39,1.66,;-13.06,2.43,;-11.73,1.66,;-10.39,2.43,;-15.73,-.65,;-17.06,.12,;-15.73,-2.19,;.76,2.69,;-.28,1.55,;-1.78,1.89,;.18,.08,;1.68,-.26,;2.73,.88,;2.27,2.35,;3.31,3.48,)|
BDBM30331 CC(C)c1onc(c1COc1ccc(cc1)-c1ccc2ccc(cc2c1)C(O)=O)-c1c(Cl)cccc1Cl |(-3.6,6.71,;-2.16,7.25,;-1.91,8.77,;-.97,6.27,;.52,6.66,;1.35,5.37,;.38,4.18,;-1.06,4.74,;-2.39,3.97,;-3.73,4.74,;-5.06,3.97,;-6.39,4.74,;-7.73,3.97,;-7.73,2.43,;-6.39,1.66,;-5.06,2.43,;-9.06,1.66,;-9.06,.12,;-10.39,-.65,;-11.73,.12,;-13.06,-.65,;-14.39,.12,;-14.39,1.66,;-13.06,2.43,;-11.73,1.66,;-10.39,2.43,;-15.73,2.43,;-17.06,1.66,;-15.73,3.97,;.76,2.69,;-.28,1.55,;-1.78,1.89,;.18,.08,;1.68,-.26,;2.73,.88,;2.27,2.35,;3.31,3.48,)|
BDBM30332 CC(C)c1onc(c1COc1ccc(cc1)-c1ccc2cccc(C(O)=O)c2c1)-c1c(Cl)cccc1Cl |(-3.6,6.71,;-2.16,7.25,;-1.91,8.77,;-.97,6.27,;.52,6.66,;1.35,5.37,;.38,4.18,;-1.06,4.74,;-2.39,3.97,;-3.73,4.74,;-5.06,3.97,;-6.39,4.74,;-7.73,3.97,;-7.73,2.43,;-6.39,1.66,;-5.06,2.43,;-9.06,1.66,;-9.06,.12,;-10.39,-.65,;-11.73,.12,;-13.06,-.65,;-14.39,.12,;-14.39,1.66,;-13.06,2.43,;-13.06,3.97,;-14.39,4.74,;-11.73,4.74,;-11.73,1.66,;-10.39,2.43,;.76,2.69,;-.28,1.55,;-1.78,1.89,;.18,.08,;1.68,-.26,;2.73,.88,;2.27,2.35,;3.31,3.48,)|
BDBM30333 COc1ccccc1-c1noc(C(C)C)c1COc1ccc(\C=C\c2cccc(c2)C(O)=O)c(Cl)c1
BDBM30334 CC(C)c1onc(c1COc1ccc(\C=C\c2cccc(c2)C(O)=O)c(Cl)c1)-c1ccc(cc1Cl)S(C)(=O)=O
BDBM30335 CC(C)c1onc(c1COc1ccc(\C=C\c2cccc(c2)C(O)=O)c(Cl)c1)-c1c(Cl)cncc1Cl |(-7.17,-1.58,;-8.7,-1.74,;-9.32,-3.15,;-9.6,-.5,;-11.14,-.5,;-11.62,.97,;-10.37,1.87,;-9.13,.97,;-7.79,1.74,;-6.46,.97,;-5.13,1.74,;-3.79,.97,;-2.46,1.74,;-2.46,3.28,;-1.12,4.05,;.21,3.28,;1.54,4.05,;1.54,5.59,;2.88,6.36,;4.21,5.59,;4.21,4.05,;2.88,3.28,;5.54,3.28,;5.54,1.74,;6.88,4.05,;-3.79,4.05,;-3.79,5.59,;-5.13,3.28,;-10.37,3.41,;-11.71,4.18,;-13.04,3.41,;-11.71,5.72,;-10.37,6.49,;-9.04,5.72,;-9.04,4.18,;-7.7,3.41,)|
BDBM30326 C[C@]12CCC3C(CC=C4C=C(CC[C@]34C)C(O)=O)C1CC[C@@H]2C(=O)c1ccc(O)cc1 |r,c:9,t:7|
BDBM30327 C[C@]12CCC3C(CC=C4C=C(CC[C@]34C)C(O)=O)C1CC[C@@H]2C(=O)c1ccccc1 |r,c:9,t:7|
BDBM30328 COC(=O)C1=CC2=CCC3C4CC[C@H](C(=O)c5ccccc5)[C@@]4(C)CCC3[C@@]2(C)CC1 |r,t:4,6|
BDBM41098 CCOC(=O)C1=C(C)N=C(C)C(C1c1cccc(Cl)c1Cl)C(=O)OC |c:5,t:8|
BDBM53721 C[C@H](CCC(O)=O)[C@H]1CC[C@H]2[C@@H]3[C@@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
BDBM81519 CCc1cc(C(C)=O)c(O)cc1OCCCCCC(C)(C)c1nnn[nH]1
BDBM50451539 [H][C@@]12CCC([C@H](C)CCC(O)=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])[C@H](O)[C@H](Cc2ccccc2)C2C[C@H](O)CC[C@]12C
BDBM50451540 [H][C@@]12CCC([C@H](C)CCC(O)=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])[C@H](O)[C@H](CCC)C2C[C@H](O)CC[C@]12C
BDBM50451541 [H][C@@]12CCC([C@H](C)CCC(O)=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])[C@H](O)[C@H](C)C2C[C@H](O)CC[C@]12C
BDBM50190595 [H][C@@]12CCC([C@H](C)CCNC(=O)OCc3ccc(cc3)C(O)=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])[C@H](O)CC2C[C@H](O)CC[C@]12C
BDBM50190596 [H][C@@]12CCC([C@H](C)CCNC(=O)OCc3cccs3)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])[C@H](O)CC2C[C@H](O)CC[C@]12C
BDBM50190591 [H][C@@]12CCC([C@H](C)CCNC(=O)OC(C)C)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])[C@H](O)CC2C[C@H](O)CC[C@]12C
BDBM50190590 [H][C@@]12CCC([C@H](C)CCNC(=O)OC3CCCCC3)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])[C@H](O)CC2C[C@H](O)CC[C@]12C
BDBM50190592 [H][C@@]12CCC([C@H](C)CCNC(=O)OCc3ccc(OC)cc3)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])[C@H](O)CC2C[C@H](O)CC[C@]12C
BDBM50190594 [H][C@@]12CCC([C@H](C)CCNC(=O)OC3C4CC5CC(C4)CC3C5)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])[C@H](O)CC2C[C@H](O)CC[C@]12C |wU:23.27,40.47,29.34,wD:36.41,31.36,5.5,27.31,1.0,TLB:12:13:15:19.17.18,THB:17:16:13:19.18.20,17:18:15.16.22:13,20:18:15:22.21.13,20:21:15:19.17.18,(25.34,-16.63,;25.35,-15.09,;26.82,-15.58,;27.74,-14.34,;26.84,-13.07,;27.33,-11.61,;26.32,-10.46,;28.84,-11.31,;29.86,-12.46,;31.37,-12.16,;32.39,-13.31,;31.9,-14.77,;33.9,-13,;34.92,-14.16,;34.55,-15.6,;33.07,-16.53,;34.62,-16.51,;35.85,-17.4,;37.15,-16.43,;35.71,-16.41,;37.55,-14.95,;36.34,-14.04,;35.02,-14.97,;25.36,-13.54,;25.36,-11.99,;24.02,-12.76,;22.68,-13.53,;22.68,-15.07,;22.67,-16.6,;24.02,-15.85,;23.99,-14.3,;24,-17.39,;25.33,-18.17,;22.66,-18.15,;21.34,-17.38,;20,-18.13,;18.68,-17.36,;17.34,-18.12,;18.69,-15.82,;20.03,-15.05,;21.35,-15.84,;21.35,-14.3,)|
BDBM50190593 [H][C@@]12CCC([C@H](C)CCNC(=O)OCc3ccccc3)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])[C@H](O)CC2C[C@H](O)CC[C@]12C
BDBM50002611 [H][C@@]12CCC([C@H](C)CCN)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])[C@H](O)CC2C[C@H](O)CC[C@]12C
BDBM50002612 [H][C@@]12CCC([C@H](C)CCNC(=O)OCC)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])[C@H](O)CC2C[C@H](O)CC[C@]12C
BDBM50002614 [H][C@@]12CCC([C@H](C)CCNC(=O)OC\C=C\c3ccccc3)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])[C@H](O)CC2C[C@H](O)CC[C@]12C
BDBM50054245 CCCN(CC1CC1)c1nc(C)nc(Nc2c(Cl)cc(Cl)cc2Cl)c1Cl
BDBM50090939 CC(C)c1onc(c1COc1ccc(\C=C\c2cccc(c2)C(O)=O)c(C)c1)-c1c(Cl)cccc1Cl |(22.08,-4.61,;23.59,-4.22,;23.9,-2.69,;24.74,-5.24,;26.24,-4.9,;27.03,-6.24,;25.98,-7.39,;24.6,-6.77,;23.27,-7.54,;21.93,-6.78,;20.6,-7.55,;19.24,-6.78,;17.92,-7.57,;17.93,-9.1,;16.61,-9.88,;15.27,-9.12,;13.94,-9.88,;13.94,-11.45,;12.6,-12.21,;11.26,-11.45,;11.26,-9.88,;12.6,-9.12,;9.93,-9.12,;8.6,-9.9,;9.93,-7.58,;19.27,-9.88,;19.27,-11.42,;20.6,-9.1,;26.32,-8.89,;27.79,-9.36,;28.92,-8.32,;28.11,-10.86,;26.97,-11.89,;25.5,-11.44,;25.18,-9.91,;23.71,-9.43,)|
BDBM50090940 Cc1onc(c1COc1cc(C)c(\C=C\c2cccc(c2)C(O)=O)c(C)c1)-c1c(Cl)cccc1Cl |(23.6,-3.46,;24.75,-4.49,;26.25,-4.16,;27.04,-5.48,;26,-6.65,;24.61,-6.02,;23.28,-6.79,;21.94,-6.02,;20.62,-6.81,;19.25,-6.04,;17.93,-6.82,;16.6,-6.05,;17.94,-8.35,;16.62,-9.12,;15.28,-8.35,;13.95,-9.14,;13.95,-10.69,;12.6,-11.45,;11.26,-10.69,;11.26,-9.15,;12.6,-8.37,;9.94,-8.38,;8.61,-9.15,;9.94,-6.84,;19.28,-9.12,;19.28,-10.65,;20.62,-8.35,;26.34,-8.15,;25.2,-9.17,;23.73,-8.69,;25.52,-10.68,;26.99,-11.15,;28.13,-10.11,;27.81,-8.61,;28.94,-7.57,)|
BDBM50090941 CC(C)c1onc(c1COc1cc(C)c(\C=C\c2cccc(c2)C(O)=O)c(C)c1)-c1c(Cl)cccc1Cl |(23.9,-2.69,;23.59,-4.22,;22.09,-4.61,;24.74,-5.24,;26.24,-4.9,;27.03,-6.24,;25.99,-7.39,;24.6,-6.77,;23.27,-7.54,;21.93,-6.78,;20.61,-7.55,;20.61,-9.11,;19.28,-9.88,;19.28,-11.42,;17.94,-9.11,;16.62,-9.88,;15.27,-9.12,;13.94,-9.88,;13.94,-11.45,;12.6,-12.22,;11.26,-11.45,;11.26,-9.88,;12.6,-9.12,;9.94,-9.12,;8.61,-9.91,;9.94,-7.58,;17.93,-7.57,;16.59,-6.82,;19.25,-6.78,;26.33,-8.89,;27.8,-9.36,;28.93,-8.32,;28.12,-10.86,;26.98,-11.9,;25.51,-11.44,;25.19,-9.92,;23.72,-9.44,)|
BDBM50090942 CCc1onc(c1COc1cc(C)c(\C=C\c2ccc(cc2)C(O)=O)c(C)c1)-c1c(Cl)cccc1Cl |(23.16,-1.42,;22.84,-2.92,;24.01,-3.94,;25.51,-3.62,;26.29,-4.95,;25.27,-6.1,;23.86,-5.47,;22.52,-6.24,;21.2,-5.47,;19.87,-6.26,;18.52,-5.5,;17.19,-6.27,;15.85,-5.5,;17.21,-7.8,;15.88,-8.57,;14.54,-7.8,;13.22,-8.6,;13.22,-10.13,;11.88,-10.9,;10.55,-10.13,;10.55,-8.6,;11.88,-7.82,;9.37,-10.87,;9.49,-12.42,;7.98,-10.22,;18.53,-8.57,;18.53,-10.12,;19.87,-7.8,;25.59,-7.6,;24.44,-8.62,;22.97,-8.15,;24.76,-10.13,;26.23,-10.61,;27.38,-9.56,;27.06,-8.06,;28.2,-7.03,)|
BDBM50090943 CC(C)c1onc(c1COc1ccc(\C=C\c2cccc(c2)C(O)=O)c(Cl)c1)-c1c(Cl)cccc1Br |(22.12,-4.65,;23.61,-4.25,;23.91,-2.74,;24.77,-5.27,;26.28,-4.94,;27.05,-6.27,;26.02,-7.42,;24.62,-6.8,;23.29,-7.57,;21.96,-6.81,;20.63,-7.58,;19.28,-6.81,;17.95,-7.6,;17.98,-9.12,;16.63,-9.89,;15.3,-9.14,;13.97,-9.92,;13.97,-11.46,;12.64,-12.23,;11.3,-11.46,;11.3,-9.92,;12.64,-9.15,;9.98,-9.15,;8.64,-9.92,;9.98,-7.61,;19.29,-9.89,;19.29,-11.43,;20.63,-9.12,;26.35,-8.93,;25.2,-9.96,;23.74,-9.48,;25.52,-11.46,;26.99,-11.93,;28.12,-10.89,;27.79,-9.38,;28.95,-8.35,)|
BDBM50090944 CCc1onc(c1COc1ccc(\C=C\c2cccc(c2)C(O)=O)c(Cl)c1)-c1ccccc1OC(F)(F)F
BDBM50090945 CCc1onc(c1COc1ccc(\C=C\c2cccc(c2)C(O)=O)c(Cl)c1)-c1c(F)cccc1C(F)(F)F |(24,-2.69,;23.69,-4.22,;24.84,-5.24,;26.34,-4.9,;27.13,-6.24,;26.08,-7.39,;24.7,-6.77,;23.37,-7.54,;22.03,-6.78,;20.71,-7.55,;19.34,-6.78,;18.03,-7.57,;18.03,-9.11,;16.71,-9.88,;15.37,-9.12,;14.04,-9.88,;14.04,-11.45,;12.7,-12.22,;11.38,-11.45,;11.38,-9.91,;12.7,-9.12,;10.04,-9.12,;8.7,-9.91,;10.04,-7.58,;19.37,-9.88,;19.37,-11.42,;20.71,-9.11,;26.4,-8.89,;27.9,-9.36,;29.02,-8.32,;28.21,-10.86,;27.08,-11.9,;25.61,-11.42,;25.29,-9.92,;23.82,-9.44,;22.86,-8.37,;22.67,-10.48,;24.65,-8.16,)|
BDBM50090947 CCc1onc(Cc2c(Cl)cccc2Cl)c1COc1ccc(\C=C\c2cccc(c2)C(O)=O)c(Cl)c1
BDBM50090948 CC(C)c1onc(c1COc1cc(C)c(\C=C\c2ccc(cc2)C(O)=O)c(C)c1)-c1c(Cl)cccc1Cl |(21.37,-3.32,;22.85,-2.92,;23.17,-1.42,;24.02,-3.94,;25.52,-3.62,;26.3,-4.95,;25.28,-6.1,;23.87,-5.47,;22.55,-6.24,;21.21,-5.47,;19.88,-6.26,;18.54,-5.51,;17.2,-6.27,;15.86,-5.51,;17.22,-7.81,;15.89,-8.57,;14.55,-7.81,;13.23,-8.6,;11.88,-7.83,;10.55,-8.6,;10.55,-10.14,;11.88,-10.9,;13.23,-10.14,;9.37,-10.87,;9.5,-12.43,;7.99,-10.22,;18.54,-8.57,;18.54,-10.13,;19.88,-7.81,;25.6,-7.6,;24.45,-8.63,;23,-8.16,;24.77,-10.14,;26.24,-10.62,;27.39,-9.56,;27.07,-8.06,;28.21,-7.03,)|
BDBM50099491 CC(C)(Sc1ccc(CCN(CCCCC2CCCCC2)C(=O)NC2CCCCC2)cc1)C(O)=O
BDBM50117091 C[C@H](CCC(O)=O)C1CCC2C3[C@H](O)[C@H](C)C4C[C@H](O)CC[C@]4(C)C3CC[C@]12C
BDBM50117093 CCC[C@H]1[C@@H](O)C2C3CCC([C@H](C)CCC(O)=O)[C@@]3(C)CCC2[C@@]2(C)CC[C@@H](O)CC12
BDBM50117094 C[C@H](CCC(O)=O)C1CCC2C3[C@H](O)[C@H](Cc4ccccc4)C4C[C@H](O)CC[C@]4(C)C3CC[C@]12C
BDBM50151409 C[C@H]([C@H]1C[C@H]1C(O)=O)C1CCC2C3[C@H](O)CC4C[C@H](O)CC[C@]4(C)C3CC[C@]12C
BDBM50151410 C[C@H](CCCOS(O)(=O)=O)C1CCC2C3[C@H](O)CC4C[C@H](O)CC[C@]4(C)C3CC[C@]12C
BDBM50151411 C[C@H]([C@H]1C[C@@H]1C(O)=O)C1CCC2C3[C@H](O)CC4C[C@H](O)CC[C@]4(C)C3CC[C@]12C
BDBM50151412 C[C@H]([C@@H]1C[C@H]1C(O)=O)C1CCC2C3[C@H](O)CC4C[C@H](O)CC[C@]4(C)C3CC[C@]12C
BDBM50151413 C[C@H](CC(C)C(O)=O)C1CCC2C3[C@H](O)[C@H](C)C4C[C@H](O)CC[C@]4(C)C3CC[C@]12C
BDBM50151414 C[C@H](CCC(O)=O)C1CCC2C3[C@H](O)[C@H](F)C4C[C@H](O)CC[C@]4(C)C3CC[C@]12C
BDBM50151415 C[C@H]([C@H](O)CC(O)=O)C1CCC2C3[C@H](O)CC4C[C@H](O)CC[C@]4(C)C3CC[C@]12C
BDBM50151416 CCOC(=O)NCC[C@@H](C)C1CCC2C3[C@H](O)CC4C[C@H](O)CC[C@]4(C)C3CC[C@]12C
BDBM50151417 C[C@H](CCCS(O)(=O)=O)C1CCC2C3[C@H](O)CC4C[C@H](O)CC[C@]4(C)C3CC[C@]12C
BDBM50151418 C[C@H](CCC(O)=O)C1CCC2C3[C@H](O)[C@H](O)C4C[C@H](O)CC[C@]4(C)C3CC[C@]12C
BDBM50151419 C[C@H](CCN)C1CCC2C3[C@H](O)CC4C[C@H](O)CC[C@]4(C)C3CC[C@]12C
BDBM50151420 C[C@H](CCC(O)=O)C1CCC2C3[C@H](O)[C@H](CC#C)C4C[C@H](O)CC[C@]4(C)C3CC[C@]12C
BDBM50151421 CC(C)c1onc(c1COc1ccc(\C=C\c2cccc(c2)C(O)=O)cc1)-c1c(Cl)cccc1Cl |(1.9,3.75,;3.37,4.25,;3.67,5.76,;4.51,3.22,;6.01,3.55,;6.8,2.22,;5.77,1.07,;4.37,1.7,;3.04,.93,;1.71,1.68,;.38,.9,;.38,-.63,;-.95,-1.41,;-2.28,-.63,;-3.61,-1.41,;-4.95,-.64,;-6.28,-1.42,;-6.28,-2.97,;-7.63,-3.74,;-8.94,-2.97,;-8.94,-1.42,;-7.63,-.66,;-10.27,-.66,;-11.61,-1.42,;-10.27,.89,;-2.29,.9,;-.97,1.68,;6.1,-.4,;7.56,-.9,;8.69,.16,;7.88,-2.39,;6.75,-3.43,;5.26,-2.95,;4.96,-1.46,;3.49,-.97,)|
BDBM50151422 C[C@H](CCC(O)=O)C1CCC2C3[C@H](O)[C@@H](F)C4C[C@H](O)CC[C@]4(C)C3CC[C@]12C
BDBM50151423 C[C@@H](C1CCC2C3[C@H](O)CC4C[C@H](O)CC[C@]4(C)C3CC[C@]12C)C(O)=O
BDBM50151424 C[C@H](C[C@@H](O)C(O)=O)C1CCC2C3[C@H](O)CC4C[C@H](O)CC[C@]4(C)C3CC[C@]12C
BDBM50151425 C[C@H](CCC(O)=O)C1CCC2C3[C@H](O)[C@H](CCO)C4C[C@H](O)CC[C@]4(C)C3CC[C@]12C
BDBM50151427 C[C@H](CCC(O)=O)C1CCC2C3[C@H](O)[C@H](CC=C)C4C[C@H](O)CC[C@]4(C)C3CC[C@]12C
BDBM50151428 C[C@H](CCn1oc(=O)[nH]c1=O)C1CCC2C3[C@H](O)CC4C[C@H](O)CC[C@]4(C)C3CC[C@]12C
BDBM50151429 C[C@H](C[C@H](O)C(O)=O)C1CCC2C3[C@H](O)CC4C[C@H](O)CC[C@]4(C)C3CC[C@]12C
BDBM50151430 CO[C@H]1[C@@H](O)C2C3CCC([C@H](C)CCC(O)=O)[C@@]3(C)CCC2[C@@]2(C)CC[C@@H](O)CC12
BDBM50151431 C[C@H]([C@@H]1C[C@@H]1C(O)=O)C1CCC2C3[C@H](O)CC4C[C@H](O)CC[C@]4(C)C3CC[C@]12C
BDBM50167201 COC(=O)\C=C\c1cccc(c1)N(Cc1ccc(\C=C\c2cccc(F)c2)cc1)C(=O)NC(C)C
BDBM50167202 COC(=O)\C=C\c1cccc(c1)N(Cc1ccc(\C=C\c2cccc(Cl)c2)cc1)C(=O)C(C)C
BDBM50167203 COC(=O)\C=C\c1cccc(c1)N(Cc1ccc(cc1)-c1ccc(OC)cc1)C(=O)C(C)C
BDBM50167204 COC(=O)\C=C\c1cccc(c1)N(Cc1ccccc1Br)C(=O)C1CCCCC1
BDBM50167205 CC(C)(C)OC(=O)\C=C\c1ccc(CN(C(=O)C2CCCCC2)c2cccc(\C=C\C(=O)OC(C)(C)C)c2)cc1
BDBM50167206 COC(=O)\C=C\c1cccc(c1)N(Cc1ccc(cc1)-c1cc(Cl)ccc1OC)C(=O)C1CCCCC1
BDBM50167207 COC(=O)\C=C\c1cccc(c1)N(Cc1ccc(cc1)-c1cccc(Cl)c1)C(=O)C(C)C
BDBM50167208 COC(=O)\C=C\c1cccc(c1)N(Cc1ccc(cc1)-c1ccc(F)c(Cl)c1)C(=O)C1CCCCC1
BDBM50167209 COC(=O)C=Cc1cccc(c1)N(Cc1ccc(cc1)-c1cccc(c1)C(C)=O)C(=O)C1CCCCC1 |w:4.3|
BDBM50167210 COC(=O)\C=C\c1cccc(c1)N(Cc1ccc(\C=C\c2c(C)cc(C)cc2C)cc1)C(=O)C(C)C
BDBM50167211 COC(=O)\C=C\c1cccc(c1)N(Cc1ccc(\C=C\c2cccc(F)c2)cc1)C(=O)C1CCCCC1
BDBM50167212 COC(=O)\C=C\c1cccc(c1)N(Cc1ccc(cc1)-c1ccc(C)cc1)C(=O)NC(C)C
BDBM50167213 COC(=O)\C=C\c1cccc(c1)N(Cc1ccc(\C=C\c2cccc(c2)C(F)(F)F)cc1)C(=O)C(C)C
BDBM50167214 COC(=O)\C=C\c1cccc(c1)N(Cc1ccc(cc1)-c1ccc2OCOc2c1)C(=O)C(C)C
BDBM50167215 CCOc1cccc(c1)-c1ccc(CN(C(=O)C(C)C)c2cccc(\C=C\C(=O)OC)c2)cc1
BDBM50167216 CC(C)(C)OC(=O)\C=C\c1ccc(CN(C(=O)C2CCCCC2)c2cccc(\C=C\C(N)=O)c2)cc1
BDBM50167217 COC(=O)\C=C\c1cccc(c1)N(Cc1ccc(\C=C\c2c(C)cc(C)cc2C)cc1)C(=O)NC(C)C
BDBM50167218 COC(=O)\C=C\c1cccc(c1)N(Cc1ccc(cc1)-c1ccc(OC)cc1)C(=O)C1CCCCC1
BDBM50167219 COC(=O)\C=C\c1cccc(c1)N(Cc1ccc(cc1)-c1ccc(SC)cc1)C(=O)C(C)C
BDBM50167220 COC(=O)\C=C\c1cccc(c1)N(Cc1ccc(\C=C\c2cccc(Cl)c2)cc1)C(=O)C1CCCCC1
BDBM50167221 COC(=O)\C=C\c1cccc(c1)N(Cc1ccc(cc1)-c1cccc(C)c1)C(=O)C(C)C
BDBM50167222 COC(=O)\C=C\c1cccc(c1)N(Cc1ccc(\C=C\c2cccc(c2)C(F)(F)F)cc1)C(=O)NC(C)C
BDBM50167223 COC(=O)\C=C\c1cccc(c1)N(Cc1ccc(\C=C\C(=O)OC(C)(C)C)cc1OCc1ccccc1)C(=O)C1CCCCC1
BDBM50167224 COC(=O)\C=C\c1cccc(c1)N(C)C(=O)C1CCCCC1
BDBM50167225 CCOC\C=C\c1ccc(CN(C(=O)C2CCCCC2)c2cccc(\C=C\C(=O)OC)c2)cc1
BDBM50167226 COC(=O)\C=C\c1cccc(c1)N(Cc1ccc(cc1)-c1cccc(OC(F)(F)F)c1)C(=O)C1CCCCC1
BDBM50167227 COC(=O)\C=C\c1cccc(c1)N(Cc1ccc(cc1)-c1ccc(cc1)N(C)C)C(=O)C(C)C
BDBM50167228 COC(=O)\C=C\c1cccc(NC(=O)C2CCCCC2)c1
BDBM50167229 COC(=O)\C=C\c1cccc(c1)N(Cc1ccc(cc1)-c1cc(Cl)ccc1OC)C(=O)C(C)C
BDBM50167230 COC(=O)\C=C\c1cccc(c1)N(Cc1ccc(\C=C\c2scnc2C)cc1)C(=O)C1CCCCC1
BDBM50167231 COC(=O)\C=C\c1cccc(c1)N(Cc1ccc(\C=C\c2cc(cc(c2)C(F)(F)F)C(F)(F)F)cc1)C(=O)C1CCCCC1
BDBM50167232 COC(=O)\C=C\c1cccc(c1)N(Cc1cccc(Br)c1)C(=O)C1CCCCC1
BDBM50167233 COC(=O)\C=C\c1cccc(c1)N(Cc1ccc(cc1)-c1c(OC)cccc1OC)C(=O)C1CCCCC1
BDBM50167234 COC(=O)\C=C\c1cccc(c1)N(Cc1ccc(\C=C\C(=O)OC(C)(C)C)cc1)C(=O)NCc1ccccc1
BDBM50167235 CCOc1cccc(c1)-c1ccc(CN(C(=O)C2CCCCC2)c2cccc(\C=C\C(=O)OC)c2)cc1
BDBM50167236 COC(=O)\C=C\c1cccc(c1)N(Cc1ccc(cc1)-c1ccc(OC(F)(F)F)cc1)C(=O)C1CCCCC1
BDBM50167237 COC(=O)\C=C\c1cccc(c1)N(Cc1ccc(\C=C\C(=O)OCc2ccccc2)cc1)C(=O)C1CCCCC1
BDBM50167238 COC(=O)\C=C\c1cccc(c1)N(Cc1ccc(\C=C\C(=O)N(C)C)cc1)C(=O)C1CCCCC1
BDBM50167239 COC(=O)\C=C\c1cccc(c1)N(Cc1ccc(\C=C\c2c(F)cccc2F)cc1)C(=O)C(C)C
BDBM50167240 COC(=O)\C=C\c1cccc(c1)N(C(=O)C1CCCCC1)c1ccc2ccccc2c1
BDBM50167241 COC(=O)\C=C\c1cccc(c1)N(Cc1ccc(\C=C\c2cc(cc(c2)C(F)(F)F)C(F)(F)F)cc1)C(=O)C(C)C
BDBM50167242 COC(=O)\C=C\c1cccc(c1)N(Cc1ccc(Br)cc1)C(=O)C1CCCCC1
BDBM50167243 COC(=O)\C=C\c1cccc(c1)N(Cc1ccc(\C=C\c2ccccc2F)cc1)C(=O)C1CCCCC1
BDBM50167244 COC(=O)\C=C\c1cccc(c1)N(Cc1ccc(\C=C\c2scnc2C)cc1)C(=O)C(C)C
BDBM50167245 COC(=O)\C=C\c1cccc(c1)N(Cc1ccc2C=CC(C)(C)Oc2c1OC)C(=O)C1CCCCC1 |c:19|
BDBM50167247 COC(=O)\C=C\c1cccc(c1)N(Cc1ccc(\C=C\C(=O)OC(C)(C)C)cc1)C(=O)c1ccco1
BDBM50167248 COC(=O)\C=C\c1cccc(c1)N(Cc1ccc(cc1)-c1cccc(C)c1)C(=O)C1CCCCC1
BDBM50167249 COC(=O)\C=C\c1cccc(c1)N(Cc1ccc(cc1)-c1cccc(C)c1)C(=O)NC(C)C
BDBM50167155 COC\C=C\c1ccc(CN(C(=O)C2CCCCC2)c2cccc(\C=C\C(=O)OC)c2)cc1
BDBM50167156 COC(=O)\C=C\c1cccc(c1)N(Cc1ccc(\C=C\c2ccc(OC)cc2)cc1)C(=O)C1CCCCC1
BDBM50167157 COC(=O)\C=C\c1cccc(c1)N(Cc1cc(OC)cc(OC)c1)C(=O)C1CCCCC1
BDBM50167158 COC\C=C\c1cccc(c1)N(Cc1ccc(\C=C\C(=O)OC(C)(C)C)cc1)C(=O)C1CCCCC1
BDBM50167159 COC(=O)\C=C\c1cccc(c1)N(Cc1ccc(\C=C\c2c(Cl)cccc2Cl)cc1)C(=O)C1CCCCC1
BDBM50167160 CCOC\C=C\c1cccc(c1)N(Cc1ccc(\C=C\C(=O)OC(C)(C)C)cc1)C(=O)C1CCCCC1
BDBM50167161 COC(=O)\C=C\c1cccc(c1)N(Cc1ccc(cc1)-c1ccc(cc1)N(C)C)C(=O)C1CCCCC1
BDBM50167162 COC(=O)\C=C\c1cccc(c1)N(Cc1ccc(cc1)-c1ccc2OCOc2c1)C(=O)NC(C)C
BDBM50167163 COC(=O)\C=C\c1cccc(c1)N(Cc1ccc(\C=C\c2ccccn2)cc1)C(=O)C1CCCCC1
BDBM50167164 COC(=O)\C=C\c1cccc(c1)N(Cc1ccc(cc1)-c1ccc(cc1)N(C)C)C(=O)NC(C)C
BDBM50167165 COC(=O)\C=C\c1cccc(c1)N(Cc1ccc(cc1)-c1cccc(Cl)c1)C(=O)NC(C)C
BDBM50167166 COC(=O)\C=C\c1cccc(c1)N(Cc1ccc(\C=C\c2ccccc2)cc1)C(=O)C(C)C
BDBM50167167 CCOC(=O)\C=C\c1ccc(CN(C(=O)C2CCCCC2)c2cccc(\C=C\C(=O)OC)c2)cc1
BDBM50167168 COC(=O)\C=C\c1cccc(c1)N(Cc1ccc(\C=C\C(=O)OC(C)(C)C)cc1)C(=O)NC(C)C
BDBM50167169 CC(C)(C)OC(=O)CCc1ccc(CN(C(=O)C2CCCCC2)c2cccc(\C=C\C(=O)OC(C)(C)C)c2)cc1
BDBM50167170 COC(=O)\C=C\c1cccc(c1)N(Cc1ccc(cc1)-c1cccc(OC)c1)C(=O)NC(C)C
BDBM50167171 COC(=O)\C=C\c1cccc(c1)N(Cc1ccc(cc1)-c1c(OC)cccc1OC)C(=O)NC(C)C
BDBM50167172 COC(=O)\C=C\c1cccc(c1)N(Cc1ccc(cc1)-c1ccc(F)c(Cl)c1)C(=O)C(C)C
BDBM50167173 COC(=O)\C=C\c1cccc(c1)N(Cc1ccc(\C=C\c2ccccn2)cc1)C(=O)C(C)C
BDBM50167174 COC(=O)\C=C\c1cccc(c1)N(Cc1ccc(\C=C\c2ccccc2F)cc1)C(=O)NC(C)C
BDBM50167175 COC(=O)\C=C\c1cccc(c1)N(Cc1cccc(OC)c1)C(=O)C1CCCCC1
BDBM50167176 COC(=O)\C=C\c1cccc(c1)N(Cc1ccc(cc1)-c1ccc2OCOc2c1)C(=O)C1CCCCC1
BDBM50167177 COC(=O)\C=C\c1cccc(c1)N(Cc1ccc(cc1)-c1cccc(OC)c1)C(=O)C(C)C
BDBM50167178 COC(=O)\C=C\c1cccc(c1)N(Cc1ccc(cc1)-c1c(OC)cccc1OC)C(=O)C(C)C
BDBM50167179 COC(=O)\C=C\c1cccc(c1)N(Cc1ccc(cc1)-c1cccc(OC)c1)C(=O)C1CCCCC1
BDBM50167180 COC(=O)\C=C\c1cccc(c1)N(Cc1ccc2C3C(C3(Cl)Cl)C(C)(C)Oc2c1OC)C(=O)c1ccccc1
BDBM50167181 COC(=O)\C=C\c1cccc(c1)N(Cc1ccc(\C=C\C(=O)OC(C)(C)C)cc1OS(C)(=O)=O)C(=O)C1CCCCC1
BDBM50167182 COC(=O)\C=C\c1cccc(c1)N(Cc1ccc(cc1)-c1ccc(cc1)C(C)(C)C)C(=O)C1CCCCC1
BDBM50167183 COC(=O)\C=C\c1cccc(c1)N(Cc1ccc(cc1)C(C)(C)C)C(=O)C1CCCCC1
BDBM50167184 COC(=O)\C=C\c1cccc(c1)N(Cc1ccccc1)C(=O)C1CCCCC1
BDBM50167185 COC(=O)\C=C\c1cccc(c1)N(Cc1ccc(\C=C\C(=O)OC(C)(C)C)cc1O)C(=O)C1CCCCC1
BDBM50167186 COC(=O)\C=C\c1cccc(c1)N(Cc1ccc(cc1)-c1ccc(F)c(F)c1)C(=O)C1CCCCC1
BDBM50167187 COC(=O)\C=C\c1ccc(CN(C(=O)C2CCCCC2)c2cccc(\C=C\C(=O)OC)c2)cc1
BDBM50167188 COC(=O)\C=C\c1cccc(c1)N(Cc1ccc(\C=C\c2ccc(F)cc2)cc1)C(=O)C(C)C
BDBM50167189 COC(=O)\C=C\c1cccc(c1)N(Cc1ccc(\C=C\C(=O)OC(C)(C)C)cc1OC(=O)c1ccccc1)C(=O)C1CCCCC1
BDBM50167190 COC(=O)\C=C\c1cccc(c1)N(Cc1ccc(cc1)-c1ccc(SC)cc1)C(=O)C1CCCCC1
BDBM50167191 COC(=O)\C=C\c1cccc(c1)N(Cc1ccc(\C=C\C(=O)OC(C)(C)C)cc1)C(=O)c1ccccc1
BDBM50167192 COC(=O)\C=C\c1cccc(c1)N(Cc1ccc(cc1)-c1ccc(C)cc1)C(=O)C(C)C
BDBM50167193 COC(=O)\C=C\c1cccc(c1)N(Cc1ccc(\C=C\C(=O)OC(C)(C)C)cc1OC(C)=O)C(=O)C1CCCCC1
BDBM50167194 COC(=O)C=Cc1cccc(c1)N(Cc1ccc(cc1)-c1ccc(s1)C(C)=O)C(=O)C1CCCCC1 |w:4.3|
BDBM50167195 COC(=O)\C=C\c1cccc(c1)N(Cc1ccc(\C=C\c2c(Cl)cccc2Cl)cc1)C(=O)C(C)C
BDBM50167196 COC(=O)\C=C\c1cccc(c1)N(Cc1ccc(cc1)-c1ccc(OC(F)(F)F)cc1)C(=O)C(C)C
BDBM50167197 COC(=O)\C=C\c1cccc(c1)N(Cc1ccc(cc1)-c1cccc(Cl)c1)C(=O)C1CCCCC1
BDBM50167250 COC(=O)\C=C\c1cccc(c1)N(Cc1ccc(\C=C\c2cccc(F)c2)cc1)C(=O)C(C)C
BDBM50167251 COC(=O)\C=C\c1cccc(c1)N(Cc1ccc(\C=C\c2ccc(F)cc2)cc1)C(=O)C1CCCCC1
BDBM50167252 COC(=O)\C=C\c1cccc(c1)N(Cc1ccc(cc1)-c1ccc(C)s1)C(=O)C1CCCCC1
BDBM50167253 COC(=O)\C=C\c1cccc(c1)N(Cc1ccc(\C=C\c2ccc(F)cc2)cc1)C(=O)NC(C)C
BDBM50167246 COC(=O)\C=C\c1cccc(c1)N(Cc1ccc(\C=C\C(=O)OC(C)(C)C)cc1OC)C(=O)C1CCCCC1
BDBM50167254 COC(=O)\C=C\c1cccc(c1)N(Cc1ccc(\C=C\C(O)=O)cc1)C(=O)C1CCCCC1
BDBM50167255 COC(=O)\C=C\c1cccc(c1)N(Cc1ccc(\C=C\C(=O)NC(C)(C)C)cc1)C(=O)C1CCCCC1
BDBM50167198 COC(=O)\C=C\c1cccc(c1)N(Cc1ccc(cc1)-c1cccc(OC(F)(F)F)c1)C(=O)C(C)C
BDBM50167199 COC(=O)\C=C\c1cccc(c1)N(Cc1ccc(\C=C\c2ccccc2F)cc1)C(=O)C(C)C
BDBM50167200 CCOC(=O)COc1cc(\C=C\C(=O)OC(C)(C)C)ccc1CN(C(=O)C1CCCCC1)c1cccc(\C=C\C(=O)OC)c1
BDBM50169743 C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)[C@H](CCCCCCCCCS(=O)CCCC(F)(F)C(F)(F)F)Cc1cc(O)ccc31 |r|
BDBM50172373 COc1c(CN(C(=O)C2CC2)c2ccccc2)ccc2C=CC(C)(C)Oc12 |c:22|
BDBM50171846 OC(=O)\C=C\c1cccc(c1)N(Cc1ccc(cc1)-c1ccc2OCOc2c1)C(=O)C1CCCCC1
BDBM50171847 CN(C)c1ccc(cc1)-c1ccc(CN(C(=O)C2CCCCC2)c2cccc(\C=C\C(O)=O)c2)cc1
BDBM50171848 OC(=O)\C=C\c1cccc(c1)N(Cc1ccc(\C=C\c2ccccc2)cc1)C(=O)C1CCCCC1
BDBM50185421 CCC(CC)(c1ccc(OCC(O)=O)c(C)c1)c1ccc(OCc2c(onc2-c2c(Cl)cccc2Cl)C(C)C)c(C)c1 |(20.42,5.66,;20.42,4.12,;21.76,3.35,;23.09,4.12,;23.1,5.66,;23.09,2.58,;24.41,3.36,;25.75,2.61,;25.76,1.06,;27.1,.3,;28.43,1.07,;29.77,.31,;31.1,1.09,;29.77,-1.23,;24.43,.28,;24.43,-1.26,;23.09,1.05,;20.43,2.57,;19.09,3.34,;17.76,2.57,;17.76,1.02,;16.43,.25,;15.09,1.02,;13.76,.26,;13.58,-1.3,;12.08,-1.61,;11.32,-.27,;12.36,.87,;12.04,2.38,;10.58,2.85,;9.44,1.81,;10.26,4.35,;11.41,5.39,;12.87,4.91,;13.19,3.4,;14.65,2.92,;14.72,-2.34,;14.39,-3.84,;16.19,-1.87,;19.09,.25,;19.09,-1.29,;20.43,1.02,)|
BDBM50191406 Oc1[nH]c2cc(Br)ccc2c1-c1[nH]c2ccccc2c1N=O |(23.36,-3.09,;23.85,-1.62,;25.3,-1.15,;25.3,.39,;26.44,1.42,;26.12,2.93,;27.21,4.03,;24.65,3.4,;23.52,2.36,;23.85,.86,;22.94,-.38,;21.4,-.38,;20.49,-1.64,;19.02,-1.15,;17.67,-1.92,;16.34,-1.15,;16.34,.39,;17.67,1.16,;19.02,.39,;20.49,.88,;20.96,2.33,;19.93,3.48,)|
BDBM50190597 C[C@H](CCNC(=O)OC\C=C\c1ccccc1)C1CCC2C3[C@H](O)CC4C[C@H](O)CC[C@]4(C)C3CC[C@]12C
BDBM50192924 CC(=O)O[C@@H]1CC2[C@@]3(C)CCCC(C)(C)C3CC[C@@]2(C)C2CC=C3CO[C@@H](O)[C@@H]3[C@@]12C |t:24|
BDBM50192925 CC(=O)OC[C@@]12CCC3C(C)(C)CCC[C@]3(C)C1C[C@@H](O)[C@]1(C)[C@H]3[C@H](O)OCC3=CCC21 |c:31|
BDBM50192926 CC1(C)CCC[C@@]2(C)C1CC[C@@]1(CO)C3CC=C4CO[C@@H](O)[C@@H]4[C@@]3(C)[C@H](O)CC21 |t:17|
BDBM50192927 CC(=O)OC[C@@]12CCC3C(C)(C)CCC[C@]3(C)C1C[C@@H](OC(C)=O)[C@]1(C)[C@H]3[C@H](O)OCC3=CCC21 |c:34|
BDBM50192928 CO[C@@H]1OCC2=CCC3[C@]4(C)CCC5C(C)(C)CCC[C@]5(C)C4C[C@@H](O)[C@]3(C)[C@@H]12 |t:5|
BDBM50226459 CC1(C)CCC[C@@]2(C)[C@H]1CC[C@@]1(C)[C@@H]3CC=C4[C@H]([C@H](O)OC4=O)[C@@]3(C)[C@H](O)C[C@H]21 |r,c:16|
BDBM50226460 C[C@@]1(CO)CCC[C@@]2(C)[C@H]1CC[C@@]1(C)[C@@H]3CC=C4[C@H](COC4=O)[C@@]3(C)[C@H](O)C[C@H]21 |c:17|
BDBM50226461 CO[C@@H]1OC(=O)C2=CC[C@H]3[C@]4(C)CC[C@H]5C(C)(C)CCC[C@]5(C)[C@H]4C[C@@H](O)[C@]3(C)[C@@H]12 |t:6|
BDBM50226462 CC(=O)O[C@@H]1C[C@@H]2[C@@]3(C)CCCC(C)(C)[C@@H]3CC[C@@]2(C)[C@@H]2CC=C3[C@H]([C@H](O)OC3=O)[C@@]12C |r,c:24|
BDBM50226463 CC1(C)CCC[C@@]2(C)[C@H]1CC[C@@]1(C)[C@@H]3CC=C4[C@H](COC4=O)[C@@]3(C)[C@H](O)C[C@H]21 |r,c:16|
BDBM50226464 C[C@]1(CO)CCC[C@@]2(C)[C@H]1CC[C@@]1(C)[C@@H]3CC=C4[C@H](COC4=O)[C@@]3(C)[C@H](O)C[C@H]21 |c:17|
BDBM50226465 CC=C1C(=O)C[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C |w:1.0,t:10|
BDBM50236238 C[C@H](CCC(O)=O)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C |r|
BDBM50258556 OC(=O)c1cccc(\C=C\c2ccc(OCc3c(noc3C3CCCC3)-c3c(Cl)cccc3Cl)cc2Cl)c1 |(-6.07,-30.87,;-6.07,-32.41,;-7.4,-33.18,;-4.73,-33.18,;-4.73,-34.72,;-3.4,-35.5,;-2.06,-34.72,;-2.07,-33.17,;-.74,-32.4,;.6,-33.16,;1.93,-32.39,;1.92,-30.86,;3.24,-30.08,;4.59,-30.84,;5.92,-30.07,;7.26,-30.83,;8.59,-30.05,;9.99,-30.68,;11.01,-29.53,;10.23,-28.2,;8.73,-28.53,;7.57,-27.5,;7.72,-25.97,;6.31,-25.36,;5.29,-26.51,;6.07,-27.84,;10.31,-32.17,;9.16,-33.21,;7.7,-32.73,;9.49,-34.71,;10.95,-35.18,;12.1,-34.14,;11.77,-32.64,;12.91,-31.61,;4.59,-32.39,;3.26,-33.16,;3.27,-34.7,;-3.4,-32.41,)|
BDBM50258557 CCC(CC)c1onc(c1COc1ccc(\C=C\c2cccc(c2)C(O)=O)c(Cl)c1)-c1c(Cl)cccc1Cl |(32.14,-25.41,;33.29,-26.43,;32.99,-27.94,;31.53,-28.43,;30.37,-27.41,;34.14,-28.96,;35.64,-28.63,;36.42,-29.96,;35.4,-31.11,;34,-30.49,;32.67,-31.27,;31.33,-30.5,;30,-31.28,;28.65,-30.51,;27.33,-31.29,;27.34,-32.82,;26.01,-33.6,;24.67,-32.83,;23.34,-33.61,;23.35,-35.16,;22.01,-35.93,;20.68,-35.16,;20.68,-33.62,;22.01,-32.84,;19.34,-32.85,;19.34,-31.31,;18.01,-33.62,;28.67,-33.59,;28.68,-35.13,;30,-32.82,;35.72,-32.61,;34.57,-33.64,;33.11,-33.17,;34.9,-35.15,;36.36,-35.62,;37.51,-34.58,;37.18,-33.08,;38.32,-32.04,)|
BDBM50258558 CC[C@H](C)c1onc(c1COc1ccc(\C=C\c2cccc(c2)C(O)=O)c(Cl)c1)-c1c(Cl)cccc1Cl |r,wU:2.2,(10.7,-43.27,;9.24,-43.76,;8.93,-45.27,;7.47,-45.76,;10.08,-46.29,;11.59,-45.96,;12.36,-47.29,;11.34,-48.44,;9.94,-47.82,;8.61,-48.59,;7.27,-47.83,;5.94,-48.61,;4.6,-47.84,;3.27,-48.62,;3.28,-50.15,;1.95,-50.93,;.62,-50.16,;-.71,-50.94,;-.71,-52.49,;-2.05,-53.26,;-3.38,-52.49,;-3.38,-50.94,;-2.05,-50.17,;-4.72,-50.18,;-4.72,-48.64,;-6.05,-50.95,;4.62,-50.92,;4.62,-52.46,;5.95,-50.15,;11.66,-49.94,;10.52,-50.97,;9.05,-50.5,;10.84,-52.48,;12.31,-52.95,;13.45,-51.91,;13.12,-50.41,;14.26,-49.37,)|
BDBM50258744 CC(C)c1onc(COc2ccccc2)c1COc1ccc(\C=C\c2cccc(c2)C(O)=O)c(Cl)c1
BDBM50258745 CC(C)c1onc(COc2c(Cl)cccc2Cl)c1COc1ccc(\C=C\c2cccc(c2)C(O)=O)c(Cl)c1
BDBM50258746 CC(C)c1onc(CNc2c(Cl)cccc2Cl)c1COc1ccc(\C=C\c2cccc(c2)C(O)=O)c(Cl)c1
BDBM50258421 CC(C)c1onc(COc2cc(Cl)ccc2Cl)c1COc1ccc(\C=C\c2cccc(c2)C(O)=O)c(Cl)c1
BDBM50258422 CC(C)c1onc(COc2ccc(Cl)c(Cl)c2)c1COc1ccc(\C=C\c2cccc(c2)C(O)=O)c(Cl)c1
BDBM50258423 CC(C)c1onc(COc2cc(Cl)cc(Cl)c2)c1COc1ccc(\C=C\c2cccc(c2)C(O)=O)c(Cl)c1
BDBM50258484 CC(C)c1onc(COc2c(C)cc(Cl)cc2C)c1COc1ccc(\C=C\c2cccc(c2)C(O)=O)c(Cl)c1
BDBM50258485 CC(C)c1onc(COc2ccc3ccccc3c2)c1COc1ccc(\C=C\c2cccc(c2)C(O)=O)c(Cl)c1
BDBM50258486 CC(C)c1onc(COc2cccc3ccccc23)c1COc1ccc(\C=C\c2cccc(c2)C(O)=O)c(Cl)c1
BDBM50258808 CC(C)c1onc(CS(=O)(=O)c2c(Cl)cccc2Cl)c1COc1ccc(\C=C\c2cccc(c2)C(O)=O)c(Cl)c1
BDBM50258809 CC(C)c1onc(COc2ccccc2Cl)c1COc1ccc(\C=C\c2cccc(c2)C(O)=O)c(Cl)c1
BDBM50258810 CC(C)c1onc(COc2cccc(Cl)c2)c1COc1ccc(\C=C\c2cccc(c2)C(O)=O)c(Cl)c1
BDBM50258451 CC(C)c1onc(COc2c(Cl)cc(F)cc2Cl)c1COc1ccc(\C=C\c2cccc(c2)C(O)=O)c(Cl)c1
BDBM50258452 CC(C)c1onc(COc2c(F)cc(F)cc2F)c1COc1ccc(\C=C\c2cccc(c2)C(O)=O)c(Cl)c1
BDBM50258453 CC(C)c1onc(COc2c(Cl)cc(Cl)cc2Cl)c1COc1ccc(\C=C\c2cccc(c2)C(O)=O)c(Cl)c1
BDBM50258513 OC(=O)c1cccc(\C=C\c2ccc(OCc3c(noc3C3CCC3)-c3c(Cl)cccc3Cl)cc2Cl)c1 |(21.49,-15.58,;21.49,-17.12,;20.16,-17.89,;22.83,-17.89,;22.83,-19.43,;24.17,-20.2,;25.5,-19.43,;25.5,-17.88,;26.83,-17.11,;28.16,-17.87,;29.5,-17.1,;29.48,-15.57,;30.81,-14.79,;32.15,-15.55,;33.48,-14.78,;34.82,-15.54,;36.15,-14.76,;37.55,-15.39,;38.57,-14.24,;37.8,-12.91,;36.29,-13.23,;35.14,-12.22,;35.05,-10.68,;33.51,-10.77,;33.6,-12.31,;37.87,-16.88,;36.73,-17.92,;35.26,-17.44,;37.05,-19.42,;38.52,-19.89,;39.66,-18.85,;39.33,-17.35,;40.47,-16.31,;32.16,-17.09,;30.83,-17.87,;30.83,-19.41,;24.16,-17.12,)|
BDBM50258850 CC(C)c1onc(COc2ccc(Cl)cc2)c1COc1ccc(\C=C\c2cccc(c2)C(O)=O)c(Cl)c1
BDBM50258851 CC(C)c1onc(COc2c(C)cccc2Cl)c1COc1ccc(\C=C\c2cccc(c2)C(O)=O)c(Cl)c1
BDBM50258852 CC(C)c1onc(COc2c(C)cccc2C)c1COc1ccc(\C=C\c2cccc(c2)C(O)=O)c(Cl)c1
BDBM50258776 CC(C)c1onc(CNc2c(Cl)cncc2Cl)c1COc1ccc(\C=C\c2cccc(c2)C(O)=O)c(Cl)c1
BDBM50258777 CC(C)c1onc(CSc2c(Cl)cccc2Cl)c1COc1ccc(\C=C\c2cccc(c2)C(O)=O)c(Cl)c1
BDBM50258778 CC(C)c1onc(CS(=O)c2c(Cl)cccc2Cl)c1COc1ccc(\C=C\c2cccc(c2)C(O)=O)c(Cl)c1
BDBM50258511 CC(C)c1onc(CSc2nnnn2C)c1COc1ccc(\C=C\c2cccc(c2)C(O)=O)c(Cl)c1
BDBM50258512 CC(C)c1onc([C@H]2C[C@@H]2c2c(Cl)cccc2Cl)c1COc1ccc(\C=C\c2cccc(c2)C(O)=O)c(Cl)c1 |r|
BDBM50258676 CC(C)c1onc(Cc2ccccc2)c1COc1ccc(\C=C\c2cccc(c2)C(O)=O)c(Cl)c1
BDBM50258677 CC(C)c1onc(CCc2ccccc2)c1COc1ccc(\C=C\c2cccc(c2)C(O)=O)c(Cl)c1
BDBM50258710 CC(C)c1onc(CCCc2ccccc2)c1COc1ccc(\C=C\c2cccc(c2)C(O)=O)c(Cl)c1
BDBM50258711 CC(C)c1onc(CCc2c(Cl)cccc2Cl)c1COc1ccc(\C=C\c2cccc(c2)C(O)=O)c(Cl)c1
BDBM50258712 CC(C)c1onc(COC(C)(C)C)c1COc1ccc(\C=C\c2cccc(c2)C(O)=O)c(Cl)c1
BDBM50258713 CC(C)c1onc(CO)c1COc1ccc(\C=C\c2cccc(c2)C(O)=O)c(Cl)c1
BDBM50258281 CC(C)c1onc(COc2c(F)cccc2Cl)c1COc1ccc(\C=C\c2cccc(c2)C(O)=O)c(Cl)c1
BDBM50258282 CC(C)c1onc(COc2c(F)cccc2F)c1COc1ccc(\C=C\c2cccc(c2)C(O)=O)c(Cl)c1
BDBM50258283 CC(C)c1onc(COc2cccc(Cl)c2Cl)c1COc1ccc(\C=C\c2cccc(c2)C(O)=O)c(Cl)c1
BDBM50258323 CC(C)c1onc(COc2ccc(Cl)cc2Cl)c1COc1ccc(\C=C\c2cccc(c2)C(O)=O)c(Cl)c1
BDBM50258586 CC[C@@H](C)c1onc(c1COc1ccc(\C=C\c2cccc(c2)C(O)=O)c(Cl)c1)-c1c(Cl)cccc1Cl |r,wD:2.2,(33.96,-41.84,;32.5,-42.33,;32.19,-43.84,;30.73,-44.33,;33.35,-44.86,;34.85,-44.53,;35.63,-45.86,;34.6,-47.01,;33.2,-46.39,;31.87,-47.16,;30.54,-46.4,;29.21,-47.18,;27.86,-46.41,;26.54,-47.19,;26.55,-48.72,;25.22,-49.5,;23.88,-48.73,;22.55,-49.51,;22.55,-51.06,;21.22,-51.83,;19.88,-51.06,;19.89,-49.51,;21.21,-48.74,;18.55,-48.75,;18.55,-47.21,;17.21,-49.52,;27.88,-49.49,;27.88,-51.03,;29.21,-48.72,;34.93,-48.51,;33.78,-49.54,;32.32,-49.07,;34.1,-51.04,;35.57,-51.52,;36.72,-50.48,;36.39,-48.98,;37.53,-47.94,)|
BDBM50274328 Fc1cccc(COc2cccc(\C=C3/C(=O)NN(C3=O)c3ccccc3)c2)c1
BDBM50274329 FC(F)(F)c1cccc(COc2cccc(\C=C3/C(=O)NN(C3=O)c3ccccc3)c2)c1
BDBM50274330 FC(F)(F)c1ccc(COc2cccc(\C=C3/C(=O)NN(C3=O)c3ccccc3)c2)cc1
BDBM50274331 Cc1cccc(COc2cccc(\C=C3/C(=O)NN(C3=O)c3ccccc3[N+]([O-])=O)c2)c1
BDBM50274383 Cc1cccc(COc2cccc(\C=C3/C(=O)NN(C(=O)c4ccc(F)cc4)C3=O)c2)c1
BDBM50274241 Cc1cccc(COc2cccc(\C=C3/C(=O)NN(C3=O)c3ccccc3)c2)c1
BDBM50274435 Cc1cccc(COc2cccc(\C=C3/C(=O)NN(C(=O)c4ccncc4)C3=O)c2)c1
BDBM50274436 O=C(N1NC(=O)\C(=C/c2ccc(OCc3ccccc3)cc2)C1=O)c1ccccc1
BDBM50274545 O=C(N1NC(=O)\C(=C/c2ccc(OCc3ccccc3)cc2)C1=O)c1ccco1
BDBM50274546 O=[#6]1-[#7](-[#7](-[#6](=O)\[#6]-1=[#6]\c1ccc(-[#8]-[#6]-c2ccccc2)cc1)-c1ccccc1)-c1ccccc1
BDBM50274547 [#6]-[#6]-[#8]-[#6](=O)-[#6](=[#6]/c1ccc(-[#8]-[#6]-c2ccccc2)cc1)\[#6](=O)-[#8]-[#6]-[#6]
BDBM50274585 [#8-]-[#7+](=O)-c1cccc(\[#6]=[#6]-2/[#6](=O)-[#7](-[#7](-[#6]-2=O)-c2ccccc2)-c2ccccc2)c1
BDBM50301753 CC(C)OC(=O)C1=CN(CC(C)(C)c2cc([nH]c12)C#N)C(=O)c1ccc(F)c(F)c1 |t:6|
BDBM50301754 CC(C)OC(=O)C1=CN(CC(C)(C)c2cc([nH]c12)C#N)C(=O)c1cccc(F)c1 |t:6|
BDBM50301755 CC(C)OC(=O)C1=CN(CC(C)(C)c2cc([nH]c12)C#N)C(=O)c1ccc(F)cc1 |t:6|
BDBM50301756 CC(C)OC(=O)C1=CN(CC(C)(C)c2cc([nH]c12)C#N)C(=O)C1CCCCC1 |t:6|
BDBM50301757 CC(C)OC(=O)C1=CN(CC(C)(C)c2cc([nH]c12)C#N)C(=O)c1ccc(cc1)C#N |t:6|
BDBM50301758 CC(C)OC(=O)C1=CN(CC(C)(C)c2cc([nH]c12)C#N)C(=O)c1cccc(Cl)c1 |t:6|
BDBM50301759 CC(C)OC(=O)C1=CN(CC(C)(C)c2cc([nH]c12)C#N)C(=O)c1cccc(c1)C(F)(F)F |t:6|
BDBM50301760 CC(C)OC(=O)C1=CN(CC(C)(C)c2cc([nH]c12)C#N)C(=O)c1cccs1 |t:6|
BDBM50301761 CC(C)OC(=O)C1CN(CC(C)(C)c2cc([nH]c12)C#N)C(=O)c1ccc(F)c(F)c1
BDBM50301762 CC(C)OC(=O)C1CN(CC(C)(C)c2cc([nH]c12)C#N)C(=O)c1cccc(F)c1
BDBM50301763 CC(C)OC(=O)C1CN(CC(C)(C)c2cc([nH]c12)C#N)C(=O)c1ccc(F)cc1
BDBM50301764 CC(C)OC(=O)C1CN(CC(C)(C)c2cc([nH]c12)C#N)C(=O)C1CCCCC1
BDBM50301765 CC(C)OC(=O)C1CN(CC(C)(C)c2cc([nH]c12)C#N)C(=O)c1ccc(cc1)C#N
BDBM50301766 CC(C)OC(=O)C1CN(CC(C)(C)c2cc([nH]c12)C#N)C(=O)c1cccc(Cl)c1
BDBM50301767 CC(C)OC(=O)C1CN(CC(C)(C)c2cc([nH]c12)C#N)C(=O)c1cccc(c1)C(F)(F)F
BDBM50301768 CC(C)OC(=O)C1CN(CC(C)(C)c2cc([nH]c12)C#N)C(=O)c1ccc(Cl)cc1
BDBM50301769 CC(C)OC(=O)C1CN(CC(C)(C)c2cc([nH]c12)C#N)C(=O)C1CCOCC1
BDBM50297939 CC(C)c1onc(c1COc1ccc2sc(cc2c1)-c1cccc(c1)C(O)=O)-c1c(Cl)cccc1Cl |(17.99,6,;18.36,4.5,;17.26,3.43,;19.85,4.08,;21.08,5,;22.33,4.1,;21.86,2.63,;20.32,2.62,;19.57,1.28,;18.03,1.28,;17.26,-.06,;18.04,-1.38,;17.28,-2.72,;15.74,-2.73,;14.7,-3.87,;13.3,-3.25,;13.46,-1.72,;14.97,-1.4,;15.72,-.07,;11.97,-4.03,;11.98,-5.56,;10.65,-6.33,;9.3,-5.57,;9.3,-4.03,;10.64,-3.25,;7.97,-3.25,;6.64,-4.03,;7.97,-1.71,;22.67,1.32,;24.2,1.36,;24.93,2.72,;25,.05,;24.27,-1.31,;22.72,-1.35,;21.92,-.03,;20.38,-.07,)|
BDBM50297940 CC(C)c1onc(c1COc1ccc2sc(cc2c1)-c1ccc(cc1)C(O)=O)-c1c(Cl)cccc1Cl |(1.03,-6.64,;1.42,-8.13,;.31,-9.21,;2.9,-8.56,;4.13,-7.64,;5.38,-8.54,;4.91,-10.01,;3.38,-10.02,;2.61,-11.35,;1.07,-11.36,;.31,-12.7,;1.08,-14.02,;.33,-15.36,;-1.22,-15.37,;-2.25,-16.52,;-3.66,-15.89,;-3.5,-14.36,;-1.99,-14.04,;-1.23,-12.7,;-4.99,-16.66,;-6.31,-15.89,;-7.65,-16.66,;-7.65,-18.2,;-6.3,-18.97,;-4.98,-18.2,;-8.98,-18.97,;-8.98,-20.51,;-10.32,-18.21,;5.71,-11.31,;7.24,-11.28,;7.98,-9.93,;8.05,-12.58,;7.31,-13.95,;5.77,-13.98,;4.97,-12.67,;3.43,-12.7,)|
BDBM50297941 CC(C)c1onc(c1COc1ccc2cc(sc2c1)-c1cccc(c1)C(O)=O)-c1c(Cl)cccc1Cl |(20.13,-6.36,;20.5,-7.85,;19.39,-8.93,;21.98,-8.27,;23.22,-7.36,;24.47,-8.26,;24,-9.73,;22.46,-9.74,;21.7,-11.07,;20.16,-11.08,;19.4,-12.42,;20.18,-13.74,;19.42,-15.08,;17.87,-15.09,;16.84,-16.24,;15.44,-15.61,;15.59,-14.08,;17.1,-13.76,;17.85,-12.43,;14.1,-16.39,;14.11,-17.92,;12.78,-18.69,;11.44,-17.93,;11.44,-16.39,;12.77,-15.61,;10.1,-15.61,;8.77,-16.39,;10.1,-14.07,;24.8,-11.04,;26.34,-11,;27.07,-9.64,;27.14,-12.31,;26.4,-13.67,;24.86,-13.71,;24.06,-12.39,;22.52,-12.43,)|
BDBM50297942 CC(C)c1onc(c1COc1ccc2cc(sc2c1)-c1ccc(cc1)C(O)=O)-c1c(Cl)cccc1Cl |(1.21,-18.42,;1.59,-19.91,;.49,-20.98,;3.07,-20.34,;4.3,-19.42,;5.56,-20.32,;5.09,-21.79,;3.55,-21.8,;2.79,-23.13,;1.25,-23.14,;.49,-24.48,;1.26,-25.8,;.51,-27.13,;-1.04,-27.15,;-2.07,-28.3,;-3.48,-27.67,;-3.32,-26.13,;-1.81,-25.81,;-1.05,-24.48,;-4.81,-28.44,;-6.14,-27.67,;-7.47,-28.44,;-7.47,-29.98,;-6.12,-30.75,;-4.8,-29.98,;-8.8,-30.75,;-8.8,-32.29,;-10.14,-29.99,;5.89,-23.09,;7.42,-23.05,;8.16,-21.71,;8.23,-24.36,;7.49,-25.72,;5.95,-25.76,;5.15,-24.45,;3.61,-24.48,)|
BDBM50297943 CC(C)c1onc(c1COc1ccc2nc(sc2c1)-c1cccc(c1)C(O)=O)-c1c(Cl)cccc1Cl |(21.23,-18.71,;21.6,-20.2,;20.5,-21.28,;23.09,-20.62,;24.32,-19.71,;25.57,-20.61,;25.1,-22.07,;23.56,-22.08,;22.81,-23.42,;21.27,-23.43,;20.5,-24.77,;21.28,-26.09,;20.52,-27.43,;18.97,-27.44,;17.94,-28.58,;16.54,-27.96,;16.7,-26.43,;18.21,-26.11,;18.96,-24.77,;15.21,-28.74,;15.21,-30.27,;13.89,-31.04,;12.54,-30.28,;12.54,-28.73,;13.87,-27.96,;11.21,-27.96,;9.87,-28.74,;11.21,-26.42,;25.91,-23.39,;27.44,-23.35,;28.17,-21.99,;28.24,-24.66,;27.51,-26.02,;25.97,-26.05,;25.16,-24.74,;23.62,-24.77,)|
BDBM50297944 CC(C)c1onc(c1COc1ccc2[nH]c(cc2c1)-c1cccc(c1)C(O)=O)-c1c(Cl)cccc1Cl |(1.28,-29.67,;1.65,-31.16,;.55,-32.24,;3.14,-31.58,;4.37,-30.67,;5.62,-31.57,;5.15,-33.03,;3.61,-33.04,;2.86,-34.38,;1.32,-34.39,;.55,-35.73,;1.33,-37.05,;.57,-38.39,;-.97,-38.4,;-2.01,-39.54,;-3.41,-38.92,;-3.25,-37.38,;-1.74,-37.06,;-.99,-35.73,;-4.74,-39.69,;-4.73,-41.23,;-6.06,-42,;-7.41,-41.23,;-7.41,-39.69,;-6.07,-38.92,;-8.74,-38.92,;-10.07,-39.69,;-8.74,-37.38,;5.96,-34.34,;7.49,-34.3,;8.22,-32.95,;8.29,-35.61,;7.56,-36.98,;6.02,-37.01,;5.21,-35.7,;3.67,-35.73,)|
BDBM50297945 CC(C)c1onc(c1COc1ccc2cc(ccc2c1)-c1cccc(c1)C(O)=O)-c1c(Cl)cccc1Cl |(20.93,-29.27,;21.31,-30.76,;20.2,-31.84,;22.79,-31.19,;24.02,-30.27,;25.28,-31.17,;24.81,-32.64,;23.27,-32.65,;22.51,-33.98,;20.97,-33.99,;20.21,-35.33,;20.98,-36.65,;20.23,-37.99,;18.69,-38,;17.92,-39.34,;16.38,-39.35,;15.6,-38.01,;16.36,-36.67,;17.91,-36.67,;18.67,-35.33,;15.63,-40.69,;16.4,-42.01,;15.65,-43.35,;14.11,-43.37,;13.32,-42.04,;14.09,-40.7,;11.78,-42.05,;11.03,-43.39,;11.01,-40.72,;25.61,-33.95,;27.14,-33.91,;27.88,-32.55,;27.95,-35.22,;27.21,-36.58,;25.67,-36.61,;24.87,-35.3,;23.33,-35.33,)|
BDBM50297946 CC(C)c1onc(c1COc1ccc2cc(ccc2c1)-c1ccc(cc1)C(O)=O)-c1c(Cl)cccc1Cl |(2.37,-37.85,;2.74,-39.35,;1.63,-40.42,;4.22,-39.78,;5.46,-38.86,;6.71,-39.76,;6.24,-41.23,;4.7,-41.24,;3.94,-42.58,;2.4,-42.59,;1.64,-43.92,;2.42,-45.24,;1.66,-46.58,;.11,-46.59,;-.64,-47.93,;-2.18,-47.94,;-2.97,-46.6,;-2.2,-45.26,;-.66,-45.26,;.09,-43.92,;-2.95,-49.28,;-4.49,-49.29,;-5.25,-50.63,;-4.47,-51.96,;-2.92,-51.94,;-2.16,-50.6,;-5.22,-53.3,;-4.45,-54.62,;-6.76,-53.32,;7.04,-42.54,;8.58,-42.49,;9.31,-41.15,;9.38,-43.8,;8.65,-45.17,;7.1,-45.2,;6.3,-43.89,;4.76,-43.92,)|
BDBM50297947 CC(C)c1onc(c1COc1ccc2C(=O)N(Cc2c1)c1cccc(c1)C(O)=O)-c1c(Cl)cccc1Cl |(25.06,-38.67,;25.43,-40.16,;24.33,-41.23,;26.92,-40.58,;28.15,-39.67,;29.4,-40.56,;28.93,-42.03,;27.39,-42.04,;26.64,-43.38,;25.1,-43.39,;24.33,-44.73,;25.11,-46.05,;24.35,-47.39,;22.8,-47.4,;21.77,-48.54,;22.1,-50.05,;20.37,-47.92,;20.53,-46.38,;22.04,-46.06,;22.79,-44.73,;19.04,-48.69,;19.05,-50.23,;17.72,-51,;16.37,-50.23,;16.37,-48.69,;17.71,-47.92,;15.04,-47.92,;13.7,-48.69,;15.04,-46.38,;29.74,-43.34,;31.27,-43.3,;32,-41.95,;32.07,-44.61,;31.34,-45.98,;29.8,-46.01,;28.99,-44.7,;27.45,-44.73,)|
BDBM50297948 CC(C)c1onc(c1COc1ccc2C(=O)N(CCc2c1)c1cccc(c1)C(O)=O)-c1c(Cl)cccc1Cl |(-.29,6.81,;.08,5.32,;-1.02,4.25,;1.57,4.9,;2.8,5.81,;4.06,4.91,;3.59,3.44,;2.05,3.43,;1.29,2.09,;-.26,2.09,;-1.02,.75,;-.24,-.57,;-1,-1.91,;-2.54,-1.92,;-3.29,-3.25,;-2.51,-4.58,;-4.83,-3.26,;-5.61,-1.93,;-4.85,-.6,;-3.32,-.59,;-2.56,.74,;-5.6,-4.6,;-4.81,-5.92,;-5.57,-7.26,;-7.12,-7.27,;-7.9,-5.94,;-7.13,-4.6,;-9.44,-5.95,;-10.2,-7.29,;-10.22,-4.62,;4.39,2.13,;5.92,2.17,;6.66,3.53,;6.73,.86,;5.99,-.5,;4.45,-.54,;3.65,.78,;2.11,.74,)|
BDBM50297949 CC(C)c1onc(c1COc1ccc2CN(C(=O)Cc2c1)c1cccc(c1)C(O)=O)-c1c(Cl)cccc1Cl |(14.29,6.81,;14.66,5.31,;13.56,4.24,;16.15,4.89,;17.38,5.8,;18.64,4.9,;18.17,3.43,;16.63,3.42,;15.87,2.09,;14.33,2.08,;13.57,.74,;14.34,-.58,;13.59,-1.92,;12.05,-1.92,;11.29,-3.26,;9.75,-3.27,;8.98,-1.94,;7.44,-1.95,;9.74,-.6,;11.26,-.6,;12.03,.74,;8.99,-4.61,;9.77,-5.93,;9.02,-7.27,;7.47,-7.28,;6.69,-5.95,;7.45,-4.61,;5.15,-5.95,;4.39,-7.29,;4.37,-4.62,;18.97,2.13,;20.5,2.17,;21.24,3.52,;21.31,.86,;20.57,-.51,;19.03,-.54,;18.23,.77,;16.69,.74,)|
BDBM50297950 CC(C)c1onc(c1CNc1nc2ccc(cc2s1)-c1cccc(c1)C(O)=O)-c1c(Cl)cccc1Cl |(27.89,5.96,;28.27,4.47,;27.16,3.4,;29.75,4.05,;30.98,4.97,;32.24,4.06,;31.77,2.6,;30.23,2.59,;29.47,1.25,;27.93,1.24,;27.17,-.1,;27.8,-1.5,;26.67,-2.53,;26.67,-4.06,;25.35,-4.84,;24.01,-4.07,;24,-2.53,;25.33,-1.77,;25.64,-.26,;22.67,-4.85,;22.69,-6.39,;21.36,-7.16,;20.01,-6.4,;20.01,-4.86,;21.34,-4.08,;18.67,-4.09,;17.34,-4.86,;18.66,-2.55,;32.57,1.28,;34.1,1.32,;34.84,2.68,;34.91,.01,;34.17,-1.35,;32.63,-1.39,;31.83,-.07,;30.29,-.11,)|
BDBM50297951 CC(C)c1onc(c1CCc1nc2cc(ccc2o1)-c1cccc(c1)C(O)=O)-c1c(Cl)cccc1Cl |(-.27,-8.39,;.12,-9.89,;-.99,-10.95,;1.6,-10.31,;2.83,-9.39,;4.08,-10.29,;3.62,-11.76,;2.08,-11.77,;1.31,-13.11,;-.23,-13.12,;-.99,-14.46,;-2.52,-14.62,;-2.83,-16.12,;-4.15,-16.89,;-4.15,-18.43,;-2.81,-19.2,;-1.49,-18.42,;-1.49,-16.89,;-.36,-15.85,;-5.48,-19.21,;-5.47,-20.74,;-6.8,-21.52,;-8.15,-20.75,;-8.15,-19.21,;-6.82,-18.43,;-9.49,-18.44,;-10.82,-19.22,;-9.49,-16.9,;4.41,-13.07,;5.95,-13.03,;6.68,-11.68,;6.76,-14.34,;6.01,-15.71,;4.47,-15.74,;3.67,-14.43,;2.13,-14.46,)|
BDBM50297952 CC(C)c1onc(c1COc1ccc2n(Cc3cccc(c3)C(O)=O)ccc2c1)-c1c(Cl)cccc1Cl |(15.25,-10.29,;15.64,-11.78,;14.53,-12.85,;17.12,-12.21,;18.35,-11.29,;19.6,-12.19,;19.14,-13.66,;17.6,-13.67,;16.84,-15,;15.3,-15.01,;14.53,-16.35,;12.99,-16.35,;12.23,-17.69,;13.01,-19.03,;12.56,-20.49,;11.21,-21.25,;9.89,-20.45,;8.55,-21.2,;7.22,-20.41,;7.25,-18.86,;8.6,-18.12,;9.92,-18.91,;8.62,-16.57,;7.3,-15.78,;9.97,-15.83,;13.81,-21.39,;15.04,-20.47,;14.55,-19.01,;15.31,-17.67,;19.94,-14.96,;21.47,-14.92,;22.2,-13.58,;22.27,-16.23,;21.54,-17.6,;20,-17.63,;19.19,-16.32,;17.65,-16.35,)|
BDBM50297953 CC(C)c1onc(c1COc1ccc2n(Cc3ccc(cc3)C(O)=O)ccc2c1)-c1c(Cl)cccc1Cl |(34.51,-9.97,;34.89,-11.47,;33.78,-12.54,;36.37,-11.89,;37.6,-10.98,;38.86,-11.88,;38.39,-13.35,;36.85,-13.36,;36.09,-14.69,;34.55,-14.7,;33.79,-16.03,;32.25,-16.04,;31.48,-17.37,;32.27,-18.71,;31.81,-20.18,;30.47,-20.93,;29.14,-20.13,;29.17,-18.59,;27.85,-17.81,;26.5,-18.55,;26.48,-20.1,;27.8,-20.89,;25.18,-17.75,;23.84,-18.51,;25.21,-16.21,;33.06,-21.07,;34.3,-20.15,;33.81,-18.69,;34.56,-17.35,;39.19,-14.65,;40.72,-14.61,;41.46,-13.26,;41.53,-15.92,;40.79,-17.28,;39.24,-17.32,;38.45,-16,;36.91,-16.04,)|
BDBM50297954 CC(C)c1onc(c1COc1ccc2c(Cc3cccc(c3)C(O)=O)c[nH]c2c1)-c1c(Cl)cccc1Cl |(-4.9,-33.54,;-4.52,-35.03,;-5.63,-36.11,;-3.04,-35.46,;-1.81,-34.54,;-.55,-35.45,;-1.02,-36.91,;-2.56,-36.92,;-3.33,-38.25,;-4.87,-38.26,;-5.63,-39.6,;-7.17,-39.6,;-7.93,-40.94,;-7.14,-42.28,;-7.6,-43.75,;-8.93,-44.53,;-8.91,-46.07,;-10.25,-46.84,;-10.23,-48.38,;-8.89,-49.15,;-7.56,-48.35,;-7.58,-46.82,;-6.21,-49.11,;-4.9,-48.32,;-6.19,-50.65,;-6.35,-44.64,;-5.11,-43.72,;-5.6,-42.26,;-4.85,-40.92,;-.23,-38.22,;1.31,-38.18,;2.05,-36.82,;2.12,-39.49,;1.37,-40.85,;-.17,-40.89,;-.96,-39.57,;-2.5,-39.61,)|
BDBM50297955 CC(C)c1onc(c1COc1ccc2n(ccc2c1)S(=O)(=O)c1cccc(c1)C(O)=O)-c1c(Cl)cccc1Cl |(13.25,-21.93,;13.64,-23.43,;12.53,-24.49,;15.12,-23.85,;16.35,-22.93,;17.6,-23.83,;17.14,-25.3,;15.6,-25.31,;14.83,-26.65,;13.29,-26.65,;12.53,-27.99,;10.99,-27.99,;10.22,-29.33,;11.01,-30.66,;10.56,-32.13,;11.81,-33.03,;13.04,-32.1,;12.55,-30.64,;13.3,-29.31,;9.1,-32.63,;7.94,-31.61,;10.18,-33.7,;7.75,-33.38,;7.74,-34.91,;6.4,-35.67,;5.07,-34.88,;5.09,-33.34,;6.43,-32.59,;3.76,-32.55,;2.42,-33.31,;3.78,-31.01,;17.93,-26.61,;19.46,-26.57,;20.2,-25.21,;20.27,-27.87,;19.54,-29.23,;18,-29.27,;17.19,-27.95,;15.65,-27.99,)|
BDBM50297956 CC(C)c1onc(c1COc1ccc2n(ccc2c1)C(=O)c1cccc(c1)C(O)=O)-c1c(Cl)cccc1Cl |(26.33,-23.17,;26.7,-24.66,;25.6,-25.73,;28.19,-25.08,;29.42,-24.16,;30.67,-25.06,;30.21,-26.53,;28.67,-26.54,;27.91,-27.88,;26.37,-27.89,;25.6,-29.23,;24.06,-29.23,;23.3,-30.56,;24.08,-31.9,;23.62,-33.37,;24.88,-34.26,;26.11,-33.34,;25.62,-31.88,;26.38,-30.54,;22.16,-33.87,;21.01,-32.85,;21.86,-35.38,;23.01,-36.38,;22.71,-37.89,;21.25,-38.39,;20.09,-37.37,;20.4,-35.86,;18.63,-37.86,;18.32,-39.37,;17.48,-36.84,;31.01,-27.84,;32.54,-27.81,;33.27,-26.45,;33.34,-29.12,;32.61,-30.47,;31.07,-30.51,;30.26,-29.2,;28.72,-29.23,)|
BDBM50297957 CC(C)c1onc(c1COc1ccc2n(Cc3cccc(c3)C(O)=O)cnc2c1)-c1c(Cl)cccc1Cl |(8.87,-34.41,;9.24,-35.91,;8.13,-36.98,;10.72,-36.34,;11.96,-35.42,;13.21,-36.32,;12.74,-37.79,;11.2,-37.8,;10.44,-39.13,;8.9,-39.14,;8.14,-40.48,;6.59,-40.48,;5.84,-41.82,;6.62,-43.15,;6.16,-44.62,;4.83,-45.41,;4.85,-46.95,;6.18,-47.69,;6.2,-49.23,;4.87,-50.02,;3.53,-49.26,;3.51,-47.72,;2.2,-50.04,;.86,-49.28,;2.21,-51.58,;7.42,-45.52,;8.65,-44.6,;8.16,-43.14,;8.92,-41.8,;13.54,-39.09,;15.08,-39.05,;15.81,-37.7,;15.88,-40.36,;15.14,-41.72,;13.6,-41.76,;12.8,-40.45,;11.26,-40.48,)|
BDBM50297958 CC(C)c1onc(c1COc1ccc2c(Nc3cccc(c3)C(O)=O)cccc2c1)-c1c(Cl)cccc1Cl |(25.75,-35.24,;26.13,-36.73,;25.03,-37.8,;27.61,-37.16,;28.85,-36.24,;30.1,-37.14,;29.64,-38.61,;28.1,-38.62,;27.33,-39.95,;25.79,-39.96,;25.03,-41.3,;23.49,-41.3,;22.72,-42.64,;23.51,-43.97,;22.76,-45.32,;21.22,-45.34,;20.47,-46.69,;21.26,-48,;20.52,-49.35,;18.97,-49.37,;18.18,-48.05,;18.93,-46.7,;16.64,-48.07,;15.89,-49.41,;15.85,-46.74,;23.55,-46.65,;25.1,-46.62,;25.84,-45.27,;25.06,-43.95,;25.8,-42.62,;30.43,-39.91,;31.96,-39.87,;32.7,-38.52,;32.77,-41.18,;32.03,-42.55,;30.49,-42.58,;29.69,-41.27,;28.15,-41.3,)|
BDBM50297959 CC(C)c1onc(c1CCc1nc2cccc(Nc3cccc(c3)C(O)=O)c2o1)-c1c(Cl)cccc1Cl |(9.26,.68,;9.63,-.81,;8.53,-1.88,;11.12,-1.23,;12.35,-.32,;13.61,-1.22,;13.14,-2.69,;11.6,-2.69,;10.84,-4.03,;9.29,-4.04,;8.53,-5.38,;9.17,-6.78,;8.03,-7.82,;8.03,-9.35,;6.71,-10.12,;5.37,-9.36,;5.37,-7.82,;4.03,-7.05,;2.7,-7.82,;2.71,-9.35,;1.39,-10.13,;.04,-9.36,;.04,-7.82,;1.37,-7.05,;-1.3,-7.05,;-2.63,-7.82,;-1.3,-5.51,;6.69,-7.05,;7,-5.54,;13.94,-4,;15.47,-3.96,;16.21,-2.6,;16.28,-5.27,;15.54,-6.63,;14,-6.66,;13.2,-5.35,;11.66,-5.39,)|
BDBM50306714 CC(C)OC(=O)C1=CN(CC(C)(C)c2c1[nH]c1ccccc21)C(=O)c1ccc(OCCCN2CCOCC2)cc1 |t:6|
BDBM50306715 CC(C)OC(=O)C1=CN(CC(C)(C)c2c1[nH]c1ccccc21)C(=O)c1ccc(OCCN2CCCCC2)cc1 |t:6|
BDBM50306716 CC(C)OC(=O)C1=CN(CC(C)(C)c2c1[nH]c1ccccc21)C(=O)c1ccc(OCCN(C)C)cc1 |t:6|
BDBM50306717 CC(C)OC(=O)C1=CN(CC(C)(C)c2c1[nH]c1ccccc21)C(=O)c1ccc(OCCN2CCCC2)cc1 |t:6|
BDBM50306718 CC(C)OC(=O)C1=CN(CC(C)(C)c2c1[nH]c1ccccc21)C(=O)c1ccc(OCCN2CCOCC2)cc1 |t:6|
BDBM50306719 CC(C)OC(=O)C1=CN(CC(C)(C)c2c1[nH]c1ccccc21)C(=O)c1ccc(OCCN2CCN(C)CC2)cc1 |t:6|
BDBM50306720 CC(C)OC(=O)C1=CN(CC(C)(C)c2c1[nH]c1ccccc21)C(=O)c1ccc(OCCCN(C)C)cc1 |t:6|
BDBM50306721 CC(C)OC(=O)C1=CN(CC(C)(C)c2c1[nH]c1ccccc21)C(=O)c1ccc(OCCCN2CCCC2)cc1 |t:6|
BDBM50306722 CC(C)OC(=O)C1=CN(CC(C)(C)c2c1[nH]c1ccccc21)C(=O)c1ccc(OCCCN2CCCCC2)cc1 |t:6|
BDBM50306723 CC(C)OC(=O)C1=CN(CC(C)(C)c2c1[nH]c1ccccc21)C(=O)c1ccc(OCCCN2CCN(C)CC2)cc1 |t:6|
BDBM50306724 CC(C)OC(=O)C1=CN(CC(C)(C)c2c1[nH]c1ccccc21)C(=O)c1cccc(OCCN(C)C)c1 |t:6|
BDBM50306725 CC(C)OC(=O)C1=CN(CC(C)(C)c2c1[nH]c1ccccc21)C(=O)c1cccc(OCCN2CCCC2)c1 |t:6|
BDBM50306726 CC(C)OC(=O)C1=CN(CC(C)(C)c2c1[nH]c1ccccc21)C(=O)c1cccc(OCCN2CCCCC2)c1 |t:6|
BDBM50306727 CC(C)OC(=O)C1=CN(CC(C)(C)c2c1[nH]c1ccccc21)C(=O)c1cccc(OCCN2CCOCC2)c1 |t:6|
BDBM50306728 CC(C)OC(=O)C1=CN(CC(C)(C)c2c1[nH]c1ccccc21)C(=O)c1cccc(OCCN2CCN(C)CC2)c1 |t:6|
BDBM50306729 CC(C)OC(=O)C1=CN(CC(C)(C)c2c1[nH]c1ccccc21)C(=O)c1cccc(OCCCN(C)C)c1 |t:6|
BDBM50306730 CC(C)OC(=O)C1=CN(CC(C)(C)c2c1[nH]c1ccccc21)C(=O)c1cccc(OCCCN2CCCC2)c1 |t:6|
BDBM50306731 CC(C)OC(=O)C1=CN(CC(C)(C)c2c1[nH]c1ccccc21)C(=O)c1cccc(OCCCN2CCCCC2)c1 |t:6|
BDBM50306732 CC(C)OC(=O)C1=CN(CC(C)(C)c2c1[nH]c1ccccc21)C(=O)c1cccc(OCCCN2CCOCC2)c1 |t:6|
BDBM50306733 CC(C)OC(=O)C1=CN(CC(C)(C)c2c1[nH]c1ccccc21)C(=O)c1cccc(OCCCN2CCN(C)CC2)c1 |t:6|
BDBM50306734 CC(C)OC(=O)C1=CN(CC(C)(C)c2c1[nH]c1ccc(F)cc21)C(=O)c1ccc(F)c(F)c1 |t:6|
BDBM50306735 CC(C)OC(=O)C1=CN(CC(C)(C)c2c1[nH]c1cc(F)ccc21)C(=O)c1ccc(OCCCN2CCOCC2)cc1 |t:6|
BDBM50306736 CC(C)OC(=O)C1=CN(CC(C)(C)c2c1[nH]c1ccccc21)C(=O)c1cccc(CN2CCOCC2)c1 |t:6|
BDBM50306737 CC(C)OC(=O)C1=CN(CC(C)(C)c2c1[nH]c1ccccc21)C(=O)c1cccc(CN2CCN(C)CC2)c1 |t:6|
BDBM50306738 CC(C)OC(=O)C1=CN(CC(C)(C)c2c1[nH]c1ccccc21)C(=O)c1cccc(CN2CCCCC2)c1 |t:6|
BDBM50306739 CC(C)OC(=O)C1=CN(CC(C)(C)c2c1[nH]c1ccccc21)C(=O)c1cccc(CN2CCCC2)c1 |t:6|
BDBM50306740 CC(C)OC(=O)C1=CN(CC(C)(C)c2c1[nH]c1ccccc21)C(=O)c1ccc(CN2CCOCC2)cc1 |t:6|
BDBM50306741 CC(C)OC(=O)C1=CN(CC(C)(C)c2c1[nH]c1cc(F)ccc21)C(=O)c1ccc(CN2CCOCC2)cc1 |t:6|
BDBM50306742 CC(C)OC(=O)C1=CN(CC(C)(C)c2c1[nH]c1ccccc21)C(=O)c1ccc(CCN2CCOCC2)cc1 |t:6|
BDBM50306743 CC(C)OC(=O)C1=CN(CC(C)(C)c2c1[nH]c1cc(F)ccc21)C(=O)c1ccc(CCN2CCOCC2)cc1 |t:6|
BDBM50306744 CC(C)OC(=O)C1=CN(CC(C)(C)c2c1[nH]c1cc(F)ccc21)C(=O)c1ccc(OCCN2CCOCC2)cc1 |t:6|
BDBM50300199 CC[C@H]1[C@@H](O)[C@H]2[C@@H]3CC[C@H]([C@H](C)C[C@H](C)C(O)=O)[C@@]3(C)[C@@H](O)C[C@@H]2[C@@]2(C)CC[C@@H](O)C[C@@H]12 |r|
BDBM50300200 CC[C@H]1[C@@H](O)[C@H]2[C@@H]3CC[C@H]([C@H](C)C[C@@H](C)C(O)=O)[C@@]3(C)[C@@H](O)C[C@@H]2[C@@]2(C)CC[C@@H](O)C[C@@H]12 |r|
BDBM50300201 CC[C@H]1[C@@H](O)[C@H]2[C@@H]3CC[C@H]([C@H](C)CCC(O)=O)[C@@]3(C)[C@@H](O)C[C@@H]2[C@@]2(C)CC[C@@H](O)C[C@@H]12 |r|
BDBM50300202 CC[C@H]1[C@@H](O)[C@H]2[C@@H]3CC[C@H]([C@H](C)C[C@H](O)C(O)=O)[C@@]3(C)CC[C@@H]2[C@@]2(C)CC[C@@H](O)C[C@@H]12 |r|
BDBM50301375 N[C@@H](Cc1cc(I)c(Oc2cc(I)c(O)c(I)c2)c(I)c1)C(O)=O |r|
BDBM50318493 COCCOC(=O)C1=C(C)N=C(C)C(C1c1cccc(c1)[N+]([O-])=O)C(=O)OC(C)C |c:7,t:10|
BDBM50323517 CC(C)c1onc(c1COc1ccc(N(C)C(=O)c2ccc(cc2)C(O)=O)c(n1)C(F)(F)F)-c1c(Cl)cccc1Cl |(28.16,6.8,;27.54,5.39,;26.01,5.23,;28.45,4.15,;30,4.15,;30.48,2.69,;29.23,1.77,;27.98,2.68,;26.65,1.9,;25.31,2.66,;23.98,1.88,;22.63,2.65,;21.31,1.87,;21.32,.34,;19.99,-.43,;20,-1.97,;18.65,.33,;18.65,1.87,;17.32,-.44,;15.99,.32,;14.66,-.45,;14.66,-2,;15.99,-2.77,;17.33,-1.99,;13.32,-2.76,;11.99,-1.99,;13.32,-4.3,;22.65,-.43,;23.98,.34,;22.66,-1.97,;21.32,-2.74,;23.99,-2.74,;22.64,-3.51,;29.24,.24,;30.57,-.52,;31.9,.26,;30.58,-2.06,;29.25,-2.84,;27.91,-2.07,;27.9,-.54,;26.57,.23,)|
BDBM50323518 CC(C)c1onc(c1COc1ccc(NC(=O)c2ccc(cc2)C(O)=O)c(n1)C(F)(F)F)-c1c(Cl)cccc1Cl |(6.31,-3.35,;5.69,-4.76,;4.16,-4.92,;6.6,-6,;8.15,-6,;8.63,-7.46,;7.38,-8.38,;6.13,-7.47,;4.8,-8.25,;3.46,-7.49,;2.13,-8.27,;.79,-7.5,;-.54,-8.28,;-.53,-9.81,;-1.86,-10.58,;-3.19,-9.82,;-3.2,-8.28,;-4.53,-10.59,;-5.86,-9.83,;-7.19,-10.6,;-7.19,-12.15,;-5.86,-12.92,;-4.52,-12.14,;-8.53,-12.91,;-9.86,-12.14,;-8.53,-14.45,;.81,-10.58,;2.14,-9.81,;.81,-12.12,;-.52,-12.89,;2.14,-12.89,;.79,-13.66,;7.39,-9.91,;8.72,-10.67,;10.05,-9.89,;8.74,-12.21,;7.4,-12.99,;6.06,-12.22,;6.06,-10.69,;4.72,-9.92,)|
BDBM50323519 CC(C)c1onc(c1COc1ccc(N(C)C(=O)c2ccc(cc2)C(O)=O)c(C)n1)-c1c(Cl)cccc1Cl |(29.05,-4.4,;28.42,-5.81,;26.89,-5.97,;29.33,-7.05,;30.89,-7.05,;31.37,-8.51,;30.12,-9.43,;28.86,-8.52,;27.53,-9.29,;26.2,-8.53,;24.87,-9.31,;23.52,-8.54,;22.2,-9.32,;22.21,-10.85,;20.88,-11.63,;20.88,-13.17,;19.54,-10.86,;19.53,-9.32,;18.21,-11.64,;16.87,-10.87,;15.55,-11.64,;15.54,-13.19,;16.88,-13.96,;18.21,-13.19,;14.21,-13.96,;12.88,-13.19,;14.21,-15.5,;23.54,-11.62,;23.54,-13.16,;24.87,-10.85,;30.13,-10.96,;31.46,-11.72,;32.79,-10.94,;31.47,-13.26,;30.13,-14.04,;28.8,-13.27,;28.79,-11.74,;27.46,-10.97,)|
BDBM50323520 CC(C)c1onc(c1COc1ccc(N(C)C(=O)c2cccc(c2)C(O)=O)c(n1)C(F)(F)F)-c1c(Cl)cccc1Cl |(4.21,-15.15,;3.59,-16.56,;2.06,-16.72,;4.5,-17.8,;6.05,-17.8,;6.54,-19.26,;5.29,-20.18,;4.03,-19.27,;2.7,-20.04,;1.37,-19.27,;.03,-20.05,;-1.31,-19.28,;-2.64,-20.06,;-2.63,-21.59,;-3.96,-22.37,;-3.95,-23.91,;-5.29,-21.6,;-5.3,-20.06,;-6.63,-22.38,;-7.96,-21.61,;-9.29,-22.38,;-9.29,-23.93,;-7.96,-24.7,;-6.62,-23.93,;-7.96,-26.24,;-6.62,-27.01,;-9.29,-27.01,;-1.29,-22.36,;.04,-21.59,;-1.29,-23.9,;-1.29,-25.44,;.04,-24.67,;-2.62,-24.68,;5.29,-21.71,;6.63,-22.47,;7.95,-21.69,;6.64,-24.01,;5.3,-24.79,;3.96,-24.02,;3.96,-22.49,;2.62,-21.72,)|
BDBM50323521 CC(C)c1[o+][n-]c(c1COc1cc(C)c(cn1)[N+]([O-])=O)-c1c(Cl)cccc1Cl |(22.17,-16.64,;21.14,-17.78,;19.63,-17.46,;21.61,-19.25,;23.08,-19.73,;23.08,-21.27,;21.61,-21.74,;20.7,-20.5,;19.16,-20.5,;18.39,-21.83,;16.85,-21.83,;16.08,-23.16,;14.53,-23.16,;13.76,-24.49,;13.77,-21.82,;14.54,-20.49,;16.07,-20.49,;12.23,-21.82,;11.46,-20.48,;11.45,-23.15,;21.58,-23.28,;22.89,-24.07,;24.24,-23.32,;22.86,-25.61,;21.51,-26.35,;20.19,-25.55,;20.23,-24.01,;18.91,-23.21,)|
BDBM50323522 CC(C)c1onc(c1COc1cc(C)c2ccccc2n1)-c1c(Cl)cccc1Cl |(-5.54,-39.13,;-4.92,-37.72,;-3.39,-37.56,;-5.83,-36.48,;-7.37,-36.48,;-7.84,-35.02,;-6.6,-34.12,;-5.35,-35.01,;-4.01,-34.26,;-2.69,-35.05,;-1.34,-34.31,;-1.33,-32.77,;.01,-32.02,;.03,-30.48,;1.34,-32.81,;2.68,-32.07,;4,-32.85,;3.98,-34.39,;2.63,-35.14,;1.32,-34.35,;-.03,-35.1,;-6.6,-32.58,;-7.93,-31.81,;-9.26,-32.58,;-7.93,-30.26,;-6.6,-29.49,;-5.26,-30.26,;-5.26,-31.81,;-3.92,-32.57,)|
BDBM50323523 CC(C)c1onc(c1COc1ccc(NCc2ccc(cc2)C(O)=O)c(n1)C(F)(F)F)-c1c(Cl)cccc1Cl |(5.95,-39.6,;5.33,-41.01,;3.8,-41.18,;6.24,-42.25,;7.79,-42.25,;8.27,-43.72,;7.02,-44.63,;5.77,-43.73,;4.44,-44.49,;3.1,-43.73,;1.77,-44.5,;.42,-43.74,;-.9,-44.52,;-.89,-46.05,;-2.22,-46.82,;-3.56,-46.06,;-4.89,-46.83,;-4.89,-48.38,;-6.22,-49.15,;-7.56,-48.38,;-7.55,-46.84,;-6.23,-46.07,;-8.89,-49.15,;-10.22,-48.38,;-8.89,-50.69,;.44,-46.82,;1.77,-46.04,;.44,-48.36,;-.89,-49.13,;1.78,-49.13,;.43,-49.89,;7.03,-46.16,;8.36,-46.92,;9.69,-46.14,;8.37,-48.46,;7.04,-49.24,;5.7,-48.48,;5.69,-46.94,;4.36,-46.17,)|
BDBM50323524 CC(C)c1onc(c1COc1ccc(N(C)Cc2ccc(cc2)C(O)=O)c(n1)C(F)(F)F)-c1c(Cl)cccc1Cl |(29.01,-37.57,;28.39,-38.98,;26.86,-39.15,;29.3,-40.22,;30.85,-40.22,;31.33,-41.69,;30.08,-42.6,;28.83,-41.7,;27.5,-42.46,;26.16,-41.7,;24.83,-42.47,;23.48,-41.71,;22.16,-42.49,;22.17,-44.02,;20.84,-44.79,;20.84,-46.33,;19.5,-44.03,;18.17,-44.8,;18.18,-46.35,;16.84,-47.12,;15.5,-46.35,;15.51,-44.81,;16.84,-44.04,;14.17,-47.12,;12.84,-46.35,;14.17,-48.66,;23.5,-44.79,;24.83,-44.01,;23.5,-46.33,;22.17,-47.1,;24.84,-47.1,;23.49,-47.86,;30.09,-44.13,;31.42,-44.89,;32.75,-44.11,;31.43,-46.43,;30.1,-47.21,;28.76,-46.45,;28.75,-44.91,;27.42,-44.14,)|
BDBM50323525 CC(C)c1onc(c1COc1ccc(N(C)Cc2ccc(CCC(O)=O)cc2)c(n1)C(F)(F)F)-c1c(Cl)cccc1Cl |(8.94,6.43,;8.32,5.03,;6.79,4.86,;9.23,3.78,;10.78,3.79,;11.26,2.32,;10.02,1.4,;8.76,2.31,;7.43,1.54,;6.1,2.31,;4.76,1.53,;3.41,2.3,;2.09,1.52,;2.1,-.01,;.77,-.78,;.78,-2.32,;-.57,-.02,;-1.9,-.79,;-3.23,-.03,;-4.56,-.8,;-4.56,-2.35,;-5.9,-3.11,;-7.23,-2.34,;-8.56,-3.11,;-9.9,-2.34,;-8.57,-4.65,;-3.23,-3.12,;-1.89,-2.34,;3.44,-.78,;4.77,-.01,;3.44,-2.32,;2.1,-3.09,;4.77,-3.09,;3.42,-3.86,;10.02,-.13,;11.35,-.89,;12.68,-.11,;11.37,-2.42,;10.03,-3.21,;8.69,-2.44,;8.69,-.9,;7.35,-.14,)|
BDBM50323526 CC(C)c1onc(c1COc1ccc(N(C)Cc2cccc(c2)C(O)=O)c(n1)C(F)(F)F)-c1c(Cl)cccc1Cl |(27.52,7.37,;26.9,5.96,;25.37,5.79,;27.81,4.72,;29.36,4.72,;29.85,3.25,;28.6,2.34,;27.34,3.24,;26.01,2.48,;24.68,3.24,;23.34,2.47,;22,3.23,;20.67,2.45,;20.68,.92,;19.35,.15,;19.36,-1.39,;18.02,.91,;16.68,.14,;15.35,.9,;14.02,.13,;14.02,-1.41,;15.35,-2.18,;16.69,-1.41,;15.35,-3.72,;14.02,-4.49,;16.69,-4.49,;22.02,.15,;23.35,.93,;22.02,-1.39,;20.69,-2.16,;23.35,-2.16,;22,-2.92,;28.6,.81,;29.94,.05,;31.26,.83,;29.95,-1.49,;28.61,-2.27,;27.27,-1.51,;27.27,.03,;25.93,.8,)|
BDBM50323527 CC(C)c1onc(c1COc1ccc(N(C)Cc2ccc(cc2)C(=O)NS(C)(=O)=O)c(n1)C(F)(F)F)-c1c(Cl)cccc1Cl |(8.76,-5.27,;8.14,-6.68,;6.61,-6.85,;9.05,-7.92,;10.6,-7.92,;11.09,-9.39,;9.84,-10.3,;8.58,-9.4,;7.25,-10.16,;5.92,-9.4,;4.58,-10.17,;3.24,-9.41,;1.91,-10.18,;1.92,-11.71,;.59,-12.49,;.6,-14.03,;-.74,-11.72,;-2.08,-12.5,;-2.07,-14.05,;-3.41,-14.82,;-4.74,-14.05,;-4.74,-12.51,;-3.41,-11.74,;-6.08,-14.82,;-6.08,-16.36,;-7.41,-14.05,;-8.74,-14.82,;-10.08,-14.05,;-9.53,-16.15,;-7.99,-16.15,;3.26,-12.49,;4.59,-11.71,;3.26,-14.03,;1.93,-14.8,;4.59,-14.79,;3.24,-15.56,;9.84,-11.83,;11.18,-12.59,;12.5,-11.81,;11.19,-14.13,;9.85,-14.91,;8.51,-14.15,;8.51,-12.61,;7.17,-11.84,)|
BDBM50323528 CC(C)c1onc(c1COc1ccc(N(C)Cc2ccc(OCC(O)=O)cc2)c(n1)C(F)(F)F)-c1c(Cl)cccc1Cl |(32.35,-3.82,;31.73,-5.23,;30.2,-5.4,;32.64,-6.48,;34.19,-6.47,;34.68,-7.94,;33.43,-8.85,;32.17,-7.95,;30.84,-8.72,;29.51,-7.95,;28.17,-8.72,;26.83,-7.96,;25.5,-8.74,;25.51,-10.27,;24.18,-11.04,;24.19,-12.58,;22.85,-10.28,;21.51,-11.05,;21.52,-12.6,;20.18,-13.38,;18.85,-12.6,;17.51,-13.37,;16.18,-12.6,;14.85,-13.37,;13.51,-12.6,;14.85,-14.91,;18.85,-11.06,;20.18,-10.29,;26.85,-11.04,;28.18,-10.27,;26.85,-12.58,;25.52,-13.35,;28.18,-13.35,;26.83,-14.12,;33.43,-10.39,;34.77,-11.15,;36.09,-10.37,;34.78,-12.68,;33.44,-13.47,;32.1,-12.7,;32.1,-11.16,;30.76,-10.4,)|
BDBM50323529 CC(C)c1onc(c1COc1ccc(N(C)Cc2ccc(OCCO)cc2)c(n1)C(F)(F)F)-c1c(Cl)cccc1Cl |(8.88,-16.84,;8.26,-18.25,;6.73,-18.41,;9.17,-19.49,;10.72,-19.49,;11.2,-20.95,;9.95,-21.87,;8.7,-20.96,;7.37,-21.73,;6.04,-20.96,;4.7,-21.74,;3.35,-20.97,;2.03,-21.75,;2.04,-23.28,;.71,-24.06,;.71,-25.6,;-.63,-23.29,;-1.96,-24.07,;-1.95,-25.62,;-3.29,-26.39,;-4.62,-25.62,;-5.96,-26.39,;-7.29,-25.61,;-8.63,-26.38,;-9.96,-25.61,;-4.62,-24.07,;-3.29,-23.3,;3.37,-24.05,;4.7,-23.28,;3.38,-25.59,;2.04,-26.36,;4.71,-26.36,;3.36,-27.13,;9.96,-23.4,;11.29,-24.16,;12.62,-23.38,;11.3,-25.69,;9.97,-26.48,;8.63,-25.71,;8.63,-24.17,;7.29,-23.41,)|
BDBM50323530 CN(Cc1cccc(c1)C(O)=O)c1ccc(OCc2c(onc2-c2c(Cl)cccc2Cl)C2CC2)nc1C(F)(F)F |(21.34,-24.3,;21.34,-22.76,;20,-21.99,;18.67,-22.77,;17.33,-22,;16,-22.77,;16,-24.32,;17.34,-25.09,;18.67,-24.32,;17.34,-26.63,;16,-27.4,;18.67,-27.4,;22.67,-21.98,;22.65,-20.45,;23.98,-19.67,;25.32,-20.44,;26.66,-19.66,;28,-20.43,;29.32,-19.66,;29.79,-18.19,;31.35,-18.19,;31.83,-19.65,;30.58,-20.57,;30.59,-22.1,;31.92,-22.86,;33.25,-22.08,;31.93,-24.4,;30.6,-25.18,;29.26,-24.41,;29.25,-22.87,;27.92,-22.11,;28.88,-16.95,;28.71,-15.42,;27.47,-16.33,;25.33,-21.98,;24,-22.75,;24,-24.29,;22.67,-25.06,;25.34,-25.06,;23.99,-25.83,)|
BDBM50323531 CC(C)c1onc(c1COc1ccc(N(C)Cc2cccc(c2)C(=O)NS(C)(=O)=O)c(n1)C(F)(F)F)-c1c(Cl)cccc1Cl |(6.62,-28.01,;6,-29.41,;4.47,-29.58,;6.91,-30.66,;8.46,-30.65,;8.95,-32.12,;7.7,-33.04,;6.44,-32.13,;5.12,-32.9,;3.78,-32.13,;2.44,-32.91,;1.1,-32.14,;-.23,-32.92,;-.22,-34.45,;-1.55,-35.22,;-1.54,-36.76,;-2.88,-34.46,;-4.21,-35.23,;-5.55,-34.47,;-6.88,-35.24,;-6.88,-36.79,;-5.55,-37.56,;-4.21,-36.78,;-5.55,-39.1,;-4.21,-39.87,;-6.88,-39.87,;-8.21,-39.1,;-9.54,-39.87,;-9,-37.75,;-7.46,-37.75,;1.12,-35.22,;2.45,-34.45,;1.12,-36.76,;-.21,-37.53,;2.45,-37.53,;1.1,-38.3,;7.7,-34.57,;9.04,-35.33,;10.36,-34.55,;9.05,-36.86,;7.71,-37.65,;6.38,-36.88,;6.37,-35.34,;5.03,-34.58,)|
BDBM50323532 CC(C)c1onc(c1COc1ccc(N(C)Cc2cccc(c2)C(=O)NCCOP(O)(O)=O)c(n1)C(F)(F)F)-c1c(Cl)cccc1Cl |(29.58,-28.23,;28.96,-29.64,;27.43,-29.81,;29.87,-30.88,;31.42,-30.88,;31.91,-32.35,;30.66,-33.26,;29.4,-32.36,;28.08,-33.12,;26.74,-32.36,;25.4,-33.13,;24.06,-32.37,;22.73,-33.14,;22.74,-34.67,;21.41,-35.45,;21.42,-36.99,;20.08,-34.68,;18.75,-35.46,;17.41,-34.7,;16.08,-35.47,;16.08,-37.01,;17.41,-37.78,;18.75,-37.01,;17.41,-39.32,;18.75,-40.09,;16.08,-40.09,;14.75,-39.32,;13.41,-40.09,;12.08,-39.32,;10.74,-40.09,;9.96,-41.42,;11.5,-41.42,;9.41,-39.32,;24.08,-35.45,;25.41,-34.67,;24.08,-36.99,;22.75,-37.76,;25.41,-37.75,;24.06,-38.52,;30.66,-34.79,;32,-35.55,;33.32,-34.77,;32.01,-37.09,;30.67,-37.87,;29.34,-37.11,;29.33,-35.57,;27.99,-34.8,)|
BDBM50323533 CN(Cc1ccc(cc1)C(O)=O)c1ccc(OCc2c(onc2-c2c(Cl)cccc2Cl)C2CC2)nc1C(F)(F)F |(-1.96,-48.67,;-1.97,-47.13,;-3.3,-46.37,;-4.63,-47.14,;-4.63,-48.69,;-5.97,-49.46,;-7.3,-48.69,;-7.3,-47.15,;-5.97,-46.38,;-8.63,-49.46,;-9.97,-48.69,;-8.64,-51,;-.64,-46.36,;-.65,-44.83,;.68,-44.05,;2.02,-44.81,;3.36,-44.04,;4.7,-44.81,;6.02,-44.04,;6.49,-42.57,;8.04,-42.56,;8.53,-44.03,;7.28,-44.94,;7.28,-46.48,;8.62,-47.24,;9.94,-46.46,;8.63,-48.77,;7.29,-49.55,;5.96,-48.79,;5.95,-47.25,;4.61,-46.48,;5.58,-41.33,;5.41,-39.8,;4.17,-40.71,;2.03,-46.35,;.7,-47.13,;.7,-48.67,;-.63,-49.44,;2.03,-49.44,;.68,-50.21,)|
BDBM50323534 CN(Cc1ccc(cc1)C(=O)NCCS(O)(=O)=O)c1ccc(OCc2c(onc2-c2c(Cl)cccc2Cl)C2CC2)nc1C(F)(F)F |(25.42,-47.4,;25.41,-45.86,;24.07,-45.1,;22.74,-45.87,;22.75,-47.42,;21.41,-48.2,;20.08,-47.43,;20.08,-45.88,;21.41,-45.11,;18.74,-48.19,;18.74,-49.73,;17.41,-47.42,;16.08,-48.19,;14.74,-47.42,;13.41,-48.19,;12.08,-47.42,;12.62,-49.51,;14.16,-49.51,;26.74,-45.09,;26.73,-43.56,;28.05,-42.78,;29.4,-43.55,;30.74,-42.77,;32.07,-43.54,;33.4,-42.77,;33.87,-41.3,;35.42,-41.29,;35.9,-42.76,;34.66,-43.68,;34.66,-45.21,;35.99,-45.97,;37.32,-45.19,;36.01,-47.5,;34.67,-48.29,;33.33,-47.52,;33.33,-45.98,;31.99,-45.22,;32.95,-40.06,;32.79,-38.53,;31.55,-39.44,;29.41,-45.09,;28.08,-45.86,;28.08,-47.4,;26.74,-48.17,;29.41,-48.17,;28.06,-48.94,)|
BDBM50323535 CCN(Cc1ccc(cc1)C(O)=O)c1ccc(OCc2c(onc2-c2c(Cl)cccc2Cl)C2CC2)nc1C(F)(F)F |(-3.51,-2.57,;-2.18,-1.8,;-2.18,-.26,;-3.52,.51,;-4.85,-.27,;-4.85,-1.82,;-6.18,-2.59,;-7.52,-1.82,;-7.52,-.27,;-6.19,.5,;-8.85,-2.59,;-10.19,-1.81,;-8.85,-4.13,;-.85,.52,;-.87,2.05,;.46,2.83,;1.8,2.06,;3.14,2.84,;4.48,2.07,;5.8,2.84,;6.27,4.31,;7.83,4.31,;8.31,2.85,;7.06,1.93,;7.07,.4,;8.4,-.36,;9.73,.42,;8.41,-1.89,;7.08,-2.68,;5.74,-1.91,;5.73,-.37,;4.4,.39,;5.36,5.55,;5.19,7.08,;3.95,6.17,;1.81,.52,;.48,-.25,;.48,-1.79,;-.85,-2.56,;1.82,-2.56,;.47,-3.33,)|
BDBM50323536 CC(C)c1onc(c1COc1cnc(N(C)Cc2ccc(cc2)C(O)=O)c(Cl)c1)-c1c(Cl)cccc1Cl |(27.95,6.97,;27.33,5.56,;25.8,5.4,;28.24,4.32,;29.79,4.32,;30.27,2.86,;29.02,1.94,;27.77,2.85,;26.44,2.08,;25.11,2.85,;23.77,2.07,;22.42,2.84,;21.1,2.06,;21.11,.53,;19.78,-.25,;19.79,-1.79,;18.44,.52,;17.11,-.26,;17.12,-1.81,;15.78,-2.58,;14.45,-1.81,;14.45,-.26,;15.78,.51,;13.11,-2.58,;11.78,-1.81,;13.11,-4.12,;22.44,-.24,;22.45,-1.78,;23.77,.53,;29.03,.41,;30.36,-.35,;31.69,.43,;30.37,-1.89,;29.04,-2.67,;27.7,-1.9,;27.7,-.37,;26.36,.4,)|
BDBM50323537 CC(C)c1onc(c1COc1cnc(N(C)Cc2cccc(c2)C(O)=O)c(Cl)c1)-c1c(Cl)cccc1Cl |(4.6,-5.15,;3.98,-6.55,;2.45,-6.72,;4.89,-7.8,;6.44,-7.79,;6.92,-9.26,;5.68,-10.18,;4.42,-9.27,;3.09,-10.04,;1.76,-9.27,;.42,-10.05,;-.93,-9.28,;-2.25,-10.06,;-2.24,-11.59,;-3.57,-12.36,;-3.56,-13.9,;-4.91,-11.6,;-6.24,-12.37,;-7.57,-11.61,;-8.9,-12.38,;-8.9,-13.93,;-7.57,-14.7,;-6.23,-13.92,;-7.57,-16.24,;-8.9,-17.01,;-6.23,-17.01,;-.9,-12.36,;-.9,-13.9,;.43,-11.59,;5.68,-11.71,;7.01,-12.47,;8.34,-11.69,;7.03,-14,;5.69,-14.79,;4.35,-14.02,;4.35,-12.48,;3.01,-11.72,)|
BDBM50323538 CC(Nc1ccc(cc1)C(O)=O)c1ccc(OCc2c(onc2-c2c(Cl)cccc2Cl)C2CC2)nc1C(F)(F)F |(19.02,-13.21,;19.02,-11.67,;17.68,-10.91,;16.35,-11.68,;16.36,-13.23,;15.02,-14.01,;13.68,-13.23,;13.69,-11.69,;15.02,-10.92,;12.35,-14,;11.02,-13.23,;12.35,-15.54,;20.35,-10.9,;20.34,-9.37,;21.66,-8.59,;23.01,-9.35,;24.34,-8.58,;25.68,-9.35,;27.01,-8.58,;27.48,-7.11,;29.03,-7.1,;29.51,-8.57,;28.26,-9.48,;28.27,-11.02,;29.6,-11.78,;30.93,-11,;29.61,-13.31,;28.28,-14.1,;26.94,-13.33,;26.93,-11.79,;25.6,-11.03,;26.56,-5.87,;26.39,-4.34,;25.15,-5.25,;23.01,-10.9,;21.68,-11.67,;21.68,-13.21,;20.35,-13.98,;23.02,-13.98,;21.67,-14.75,)|
BDBM50323539 CC(N(C)c1ccc(cc1)C(O)=O)c1ccc(OCc2c(onc2-c2c(Cl)cccc2Cl)C2CC2)nc1C(F)(F)F |(-2.98,-26.3,;-2.99,-24.76,;-4.32,-24,;-4.33,-22.46,;-5.65,-24.77,;-5.65,-26.32,;-6.98,-27.1,;-8.32,-26.32,;-8.32,-24.78,;-6.99,-24.01,;-9.65,-27.09,;-10.99,-26.32,;-9.65,-28.63,;-1.65,-23.99,;-1.67,-22.46,;-.34,-21.68,;1,-22.44,;2.34,-21.67,;3.68,-22.44,;5,-21.67,;5.47,-20.2,;7.02,-20.19,;7.51,-21.66,;6.26,-22.57,;6.26,-24.11,;7.6,-24.87,;8.93,-24.09,;7.61,-26.4,;6.27,-27.19,;4.94,-26.42,;4.93,-24.88,;3.6,-24.12,;4.56,-18.96,;4.39,-17.43,;3.15,-18.34,;1.01,-23.99,;-.32,-24.76,;-.32,-26.3,;-1.65,-27.07,;1.02,-27.07,;-.33,-27.84,)|
BDBM50323540 OC(=O)c1ccccc1OCc1ccc(OCc2c(noc2C2CC2)-c2c(Cl)cccc2Cl)nc1C(F)(F)F |(13.66,-21.28,;14.99,-22.05,;16.33,-21.28,;15,-23.59,;13.67,-24.36,;13.67,-25.9,;15,-26.68,;16.34,-25.9,;16.33,-24.35,;17.67,-23.58,;19,-24.34,;20.33,-23.57,;20.32,-22.04,;21.65,-21.26,;22.99,-22.02,;24.33,-21.25,;25.66,-22.02,;26.99,-21.25,;28.25,-22.15,;29.5,-21.24,;29.01,-19.77,;27.46,-19.78,;26.55,-18.54,;26.38,-17.01,;25.14,-17.92,;28.25,-23.69,;29.59,-24.45,;30.91,-23.67,;29.6,-25.98,;28.26,-26.77,;26.92,-26,;26.92,-24.46,;25.58,-23.7,;23,-23.57,;21.67,-24.34,;21.67,-25.88,;20.34,-26.65,;23,-26.65,;21.65,-27.42,)|
BDBM50323541 OC(=O)c1cccc(OCc2ccc(OCc3c(noc3C3CC3)-c3c(Cl)cccc3Cl)nc2C(F)(F)F)c1 |(-9.62,-34.92,;-8.29,-34.14,;-8.29,-32.6,;-6.96,-34.91,;-6.96,-36.46,;-5.62,-37.23,;-4.29,-36.46,;-4.29,-34.91,;-2.96,-34.13,;-1.62,-34.9,;-.29,-34.12,;-.31,-32.59,;1.02,-31.81,;2.36,-32.58,;3.7,-31.8,;5.04,-32.57,;6.36,-31.8,;7.62,-32.71,;8.87,-31.79,;8.39,-30.33,;6.83,-30.33,;5.92,-29.1,;5.75,-27.56,;4.51,-28.47,;7.63,-34.24,;8.96,-35,;10.29,-34.22,;8.97,-36.54,;7.64,-37.32,;6.3,-36.55,;6.29,-35.02,;4.96,-34.25,;2.37,-34.12,;1.04,-34.89,;1.04,-36.43,;-.29,-37.21,;2.38,-37.2,;1.03,-37.97,;-5.63,-34.14,)|
BDBM50323542 OC(=O)c1ccc(OCc2ccc(OCc3c(noc3C3CC3)-c3c(Cl)cccc3Cl)nc2C(F)(F)F)cc1 |(11.81,-36.69,;13.14,-37.46,;13.14,-39,;14.48,-36.69,;15.81,-37.46,;17.15,-36.69,;17.14,-35.14,;18.47,-34.37,;19.81,-35.13,;21.14,-34.36,;21.13,-32.83,;22.45,-32.05,;23.8,-32.81,;25.14,-32.04,;26.47,-32.8,;27.8,-32.04,;29.06,-32.94,;30.3,-32.03,;29.82,-30.56,;28.27,-30.56,;27.35,-29.33,;27.19,-27.8,;25.95,-28.71,;29.06,-34.47,;30.39,-35.23,;31.72,-34.45,;30.41,-36.77,;29.07,-37.55,;27.73,-36.79,;27.73,-35.25,;26.39,-34.48,;23.81,-34.35,;22.48,-35.13,;22.48,-36.67,;21.14,-37.44,;23.81,-37.44,;22.46,-38.2,;15.81,-34.38,;14.48,-35.15,)|
BDBM50323543 CC(Oc1cccc(c1)C(O)=O)c1ccc(OCc2c(onc2-c2c(Cl)cccc2Cl)C2CC2)nc1C(F)(F)F |(-2.38,-48.45,;-2.39,-46.91,;-3.72,-46.14,;-5.05,-46.92,;-5.05,-48.47,;-6.39,-49.24,;-7.72,-48.47,;-7.72,-46.92,;-6.39,-46.15,;-9.05,-46.15,;-10.39,-46.92,;-9.05,-44.61,;-1.06,-46.13,;-1.07,-44.6,;.26,-43.82,;1.6,-44.59,;2.94,-43.81,;4.28,-44.58,;5.6,-43.81,;6.07,-42.34,;7.62,-42.34,;8.11,-43.8,;6.86,-44.72,;6.86,-46.25,;8.2,-47.01,;9.52,-46.23,;8.21,-48.55,;6.87,-49.33,;5.54,-48.56,;5.53,-47.02,;4.19,-46.26,;5.16,-41.1,;4.99,-39.57,;3.75,-40.48,;1.61,-46.13,;.28,-46.9,;.28,-48.44,;-1.05,-49.21,;1.61,-49.21,;.26,-49.98,)|
BDBM50323544 CC(Oc1ccc(cc1)C(O)=O)c1ccc(OCc2c(onc2-c2c(Cl)cccc2Cl)C2CC2)nc1C(F)(F)F |(19.89,-47.58,;19.89,-46.04,;18.55,-45.27,;17.22,-46.05,;17.23,-47.6,;15.89,-48.37,;14.56,-47.6,;14.56,-46.05,;15.89,-45.28,;13.22,-48.37,;11.89,-47.59,;13.22,-49.91,;21.22,-45.26,;21.21,-43.73,;22.53,-42.95,;23.88,-43.72,;25.22,-42.94,;26.55,-43.71,;27.88,-42.94,;28.35,-41.47,;29.9,-41.47,;30.38,-42.93,;29.13,-43.85,;29.14,-45.38,;30.47,-46.14,;31.8,-45.36,;30.48,-47.67,;29.15,-48.46,;27.81,-47.69,;27.81,-46.15,;26.47,-45.39,;27.43,-40.23,;27.27,-38.7,;26.02,-39.61,;23.88,-45.26,;22.55,-46.03,;22.56,-47.57,;21.22,-48.34,;23.89,-48.34,;22.54,-49.11,)|
BDBM50323545 CC(C)c1onc(c1COc1cc(cc(C)n1)C(F)(F)F)-c1c(Cl)cccc1Cl |(15.46,-28.38,;14.84,-29.79,;13.31,-29.95,;15.75,-31.03,;17.3,-31.03,;17.78,-32.49,;16.53,-33.41,;15.28,-32.5,;13.95,-33.28,;12.61,-32.51,;11.28,-33.29,;9.94,-32.53,;8.62,-33.3,;8.61,-34.84,;9.95,-35.61,;9.95,-37.15,;11.28,-34.84,;7.28,-32.53,;7.28,-30.99,;5.95,-33.3,;5.94,-31.76,;16.54,-34.94,;17.87,-35.7,;19.2,-34.92,;17.88,-37.24,;16.55,-38.02,;15.21,-37.25,;15.21,-35.72,;13.87,-34.95,)|
BDBM50336641 CC(C)c1onc(c1COc1ccc(cc1)-c1ccc2nc(ccc2c1)C(O)=O)-c1c(Cl)cccc1Cl |(40.05,8.98,;39.74,7.47,;38.28,6.98,;40.89,6.44,;42.4,6.77,;43.17,5.44,;42.15,4.29,;40.74,4.91,;39.41,4.14,;38.07,4.9,;36.74,4.13,;36.75,2.58,;35.41,1.81,;34.08,2.58,;34.08,4.12,;35.41,4.89,;32.74,1.81,;32.75,.27,;31.42,-.5,;30.08,.27,;28.75,-.5,;27.42,.27,;27.41,1.81,;28.75,2.58,;30.08,1.81,;31.41,2.58,;26.09,-.51,;24.75,.26,;26.09,-2.05,;42.47,2.79,;43.93,2.32,;45.07,3.35,;44.26,.82,;43.11,-.22,;41.64,.25,;41.32,1.76,;39.86,2.23,)|
BDBM50336642 CCCOc1cc(nc2ccc(cc12)-c1ccc(OCc2c(noc2C(C)C)-c2c(Cl)cccc2Cl)cc1)C(O)=O |(25.81,-9.4,;24.48,-10.17,;24.47,-11.71,;23.14,-12.48,;23.14,-14.02,;21.81,-14.79,;21.81,-16.34,;23.14,-17.1,;24.47,-16.33,;25.81,-17.1,;27.14,-16.33,;27.14,-14.8,;25.81,-14.02,;24.47,-14.79,;28.47,-14.03,;29.8,-14.8,;31.14,-14.03,;31.14,-12.48,;32.47,-11.7,;33.8,-12.47,;35.13,-11.69,;36.54,-12.32,;37.56,-11.17,;36.79,-9.84,;35.28,-10.16,;34.13,-9.14,;34.45,-7.63,;32.67,-9.62,;36.86,-13.82,;38.32,-14.29,;39.46,-13.25,;38.65,-15.79,;37.5,-16.83,;36.04,-16.35,;35.71,-14.85,;34.25,-14.38,;29.8,-11.71,;28.47,-12.48,;20.48,-17.11,;19.14,-16.35,;20.49,-18.65,)|
BDBM50336643 CC(C)COc1cc(nc2ccc(cc12)-c1ccc(OCc2c(noc2C(C)C)-c2c(Cl)cccc2Cl)cc1)C(O)=O |(1.95,-22.02,;3.28,-22.79,;4.61,-22.02,;3.28,-24.33,;4.61,-25.1,;4.61,-26.64,;3.28,-27.41,;3.28,-28.95,;4.62,-29.72,;5.94,-28.95,;7.29,-29.72,;8.61,-28.95,;8.61,-27.41,;7.28,-26.64,;5.95,-27.41,;9.94,-26.64,;11.28,-27.41,;12.61,-26.64,;12.61,-25.09,;13.94,-24.32,;15.28,-25.08,;16.61,-24.31,;18.01,-24.93,;19.04,-23.79,;18.26,-22.45,;16.76,-22.78,;15.61,-21.76,;15.92,-20.25,;14.15,-22.24,;18.33,-26.43,;19.79,-26.9,;20.93,-25.87,;20.12,-28.4,;18.98,-29.45,;17.51,-28.97,;17.19,-27.47,;15.72,-26.99,;11.27,-24.33,;9.95,-25.1,;1.95,-29.73,;.62,-28.96,;1.96,-31.27,)|
BDBM50336644 CC(C)c1onc(c1COc1ccc(cc1)-c1ccc2c(ccnc2c1)C(O)=O)-c1c(Cl)cccc1Cl |(1.59,-1.11,;1.28,-2.62,;-.18,-3.11,;2.43,-3.65,;3.94,-3.32,;4.71,-4.65,;3.69,-5.8,;2.28,-5.17,;.95,-5.95,;-.39,-5.18,;-1.72,-5.96,;-1.71,-7.51,;-3.05,-8.28,;-4.38,-7.51,;-4.38,-5.97,;-3.05,-5.19,;-5.72,-8.28,;-5.71,-9.81,;-7.04,-10.59,;-8.38,-9.81,;-9.71,-10.58,;-11.04,-9.82,;-11.05,-8.27,;-9.71,-7.5,;-8.38,-8.27,;-7.05,-7.51,;-9.7,-12.12,;-11.04,-12.9,;-8.37,-12.89,;4.01,-7.3,;5.47,-7.77,;6.61,-6.73,;5.79,-9.27,;4.65,-10.31,;3.18,-9.84,;2.86,-8.33,;1.4,-7.86,)|
BDBM50336645 CC(C)c1onc(c1COc1ccc(cc1)-c1ccc2cc(cnc2c1)C(O)=O)-c1c(Cl)cccc1Cl |(20.5,-2.99,;20.18,-4.5,;18.72,-4.98,;21.33,-5.52,;22.84,-5.2,;23.61,-6.53,;22.59,-7.68,;21.18,-7.05,;19.85,-7.82,;18.51,-7.06,;17.18,-7.83,;17.19,-9.38,;15.85,-10.16,;14.52,-9.38,;14.52,-7.84,;15.85,-7.07,;13.18,-10.15,;13.19,-11.69,;11.86,-12.46,;10.52,-11.69,;9.19,-12.46,;7.86,-11.7,;7.85,-10.15,;9.19,-9.38,;10.52,-10.15,;11.85,-9.38,;6.53,-12.47,;5.19,-11.71,;6.53,-14.01,;22.91,-9.18,;24.37,-9.65,;25.51,-8.61,;24.7,-11.15,;23.55,-12.19,;22.08,-11.71,;21.76,-10.21,;20.3,-9.73,)|
BDBM50336646 CC(C)c1onc(c1COc1ccc(cc1)-c1ccc2cc(ncc2c1)C(O)=O)-c1c(Cl)cccc1Cl |(42.49,-2.63,;42.18,-4.14,;40.71,-4.62,;43.33,-5.16,;44.83,-4.84,;45.61,-6.17,;44.58,-7.32,;43.18,-6.69,;41.85,-7.47,;40.51,-6.7,;39.18,-7.48,;39.18,-9.03,;37.85,-9.8,;36.51,-9.03,;36.51,-7.48,;37.84,-6.71,;35.18,-9.8,;35.18,-11.33,;33.85,-12.1,;32.51,-11.33,;31.19,-12.1,;29.85,-11.34,;29.85,-9.79,;31.18,-9.02,;32.51,-9.79,;33.85,-9.02,;28.52,-12.11,;27.19,-11.35,;28.53,-13.65,;44.9,-8.82,;46.36,-9.29,;47.5,-8.25,;46.69,-10.79,;45.54,-11.83,;44.08,-11.35,;43.76,-9.85,;42.29,-9.37,)|
BDBM50336647 CC(C)c1onc(c1COc1ccc(cc1)-c1ccc2c(nccc2c1)C(O)=O)-c1c(Cl)cccc1Cl |(1.48,-11.95,;1.16,-13.46,;-.3,-13.94,;2.31,-14.48,;3.82,-14.16,;4.59,-15.49,;3.57,-16.64,;2.16,-16.01,;.83,-16.78,;-.5,-16.02,;-1.83,-16.79,;-1.83,-18.34,;-3.17,-19.12,;-4.5,-18.35,;-4.5,-16.8,;-3.17,-16.03,;-5.84,-19.11,;-5.83,-20.65,;-7.16,-21.42,;-8.5,-20.65,;-9.83,-21.42,;-11.16,-20.66,;-11.16,-19.11,;-9.83,-18.34,;-8.5,-19.11,;-7.17,-18.34,;-9.82,-22.96,;-11.15,-23.73,;-8.49,-23.73,;3.89,-18.14,;5.35,-18.61,;6.49,-17.57,;5.68,-20.11,;4.53,-21.15,;3.07,-20.67,;2.74,-19.17,;1.28,-18.69,)|
BDBM50336648 CC(C)c1onc(c1COc1ccc(cc1)-c1ccc2nc(nc(C)c2c1)C(O)=O)-c1c(Cl)cccc1Cl |(20.71,-13.37,;20.4,-14.88,;18.94,-15.36,;21.55,-15.9,;23.05,-15.58,;23.83,-16.91,;22.8,-18.06,;21.4,-17.43,;20.07,-18.21,;18.73,-17.44,;17.4,-18.22,;17.41,-19.77,;16.07,-20.54,;14.73,-19.77,;14.74,-18.22,;16.07,-17.45,;13.4,-20.54,;13.4,-22.07,;12.08,-22.84,;10.73,-22.07,;9.41,-22.84,;8.08,-22.08,;8.07,-20.53,;9.41,-19.76,;9.41,-18.22,;10.74,-20.53,;12.07,-19.76,;6.75,-22.85,;5.41,-22.09,;6.75,-24.39,;23.12,-19.56,;24.58,-20.03,;25.72,-18.99,;24.91,-21.53,;23.77,-22.57,;22.3,-22.09,;21.98,-20.59,;20.51,-20.12,)|
BDBM50336649 CC(C)c1onc(c1COc1ccc(cc1)-c1ccc2nc(cnc2c1)C(O)=O)-c1c(Cl)cccc1Cl |(43.61,-12.66,;43.3,-14.17,;41.83,-14.66,;44.45,-15.2,;45.95,-14.87,;46.73,-16.2,;45.7,-17.35,;44.3,-16.72,;42.97,-17.5,;41.63,-16.73,;40.3,-17.51,;40.3,-19.06,;38.97,-19.83,;37.63,-19.06,;37.63,-17.52,;38.96,-16.74,;36.3,-19.83,;36.3,-21.36,;34.97,-22.14,;33.63,-21.36,;32.31,-22.13,;30.97,-21.37,;30.97,-19.82,;32.3,-19.05,;33.63,-19.82,;34.97,-19.06,;29.64,-22.15,;28.31,-21.38,;29.65,-23.69,;46.02,-18.85,;47.48,-19.32,;48.62,-18.28,;47.81,-20.82,;46.66,-21.86,;45.2,-21.39,;44.88,-19.88,;43.41,-19.41,)|
BDBM50336650 CC(C)c1onc(c1COc1ccc(cc1)-c1ccc2nc(nnc2c1)C(O)=O)-c1c(Cl)cccc1Cl |(-.19,-22.75,;-.5,-24.26,;-1.96,-24.74,;.65,-25.28,;2.16,-24.96,;2.93,-26.29,;1.9,-27.44,;.5,-26.81,;-.83,-27.59,;-2.17,-26.82,;-3.5,-27.6,;-3.49,-29.15,;-4.83,-29.92,;-6.16,-29.15,;-6.16,-27.6,;-4.83,-26.83,;-7.5,-29.92,;-7.49,-31.45,;-8.82,-32.22,;-10.16,-31.45,;-11.5,-32.22,;-12.83,-31.46,;-12.84,-29.91,;-11.5,-29.14,;-10.16,-29.91,;-8.83,-29.14,;-14.16,-32.23,;-15.5,-31.47,;-14.16,-33.77,;2.23,-28.94,;3.69,-29.41,;4.83,-28.37,;4.01,-30.91,;2.87,-31.95,;1.4,-31.47,;1.08,-29.97,;-.39,-29.5,)|
BDBM50336651 CC(C)c1onc(c1COc1ccc(cc1)-c1ccc2nc(C(O)=O)c(C)cc2c1)-c1c(Cl)cccc1Cl |(20.98,-22.11,;20.67,-23.61,;19.21,-24.1,;21.82,-24.64,;23.33,-24.31,;24.1,-25.64,;23.08,-26.79,;21.67,-26.17,;20.34,-26.94,;19,-26.18,;17.67,-26.95,;17.68,-28.5,;16.34,-29.27,;15.01,-28.5,;15.01,-26.96,;16.34,-26.19,;13.67,-29.27,;13.68,-30.81,;12.35,-31.58,;11.01,-30.81,;9.68,-31.58,;8.35,-30.81,;7.02,-31.59,;5.68,-30.82,;7.02,-33.13,;8.34,-29.27,;7.01,-28.5,;9.68,-28.5,;11.01,-29.27,;12.34,-28.5,;23.4,-28.29,;24.86,-28.76,;26,-27.73,;25.18,-30.26,;24.04,-31.3,;22.57,-30.83,;22.25,-29.32,;20.79,-28.85,)|
BDBM50336652 CC(C)c1onc(c1COc1ccc(cc1)-c1cc2ccc(nc2cc1F)C(O)=O)-c1c(Cl)cccc1Cl |(43.05,-20.99,;42.74,-22.49,;41.27,-22.98,;43.89,-23.52,;45.39,-23.19,;46.17,-24.52,;45.14,-25.67,;43.74,-25.05,;42.41,-25.82,;41.07,-25.06,;39.74,-25.83,;39.74,-27.38,;38.41,-28.15,;37.07,-27.38,;37.07,-25.84,;38.4,-25.07,;35.74,-28.15,;34.41,-27.38,;33.07,-28.15,;31.74,-27.38,;30.41,-28.15,;30.41,-29.69,;31.75,-30.46,;33.07,-29.69,;34.41,-30.46,;35.74,-29.69,;37.08,-30.45,;29.08,-30.47,;27.75,-29.7,;29.09,-32.01,;45.46,-27.17,;46.92,-27.64,;48.06,-26.61,;47.25,-29.14,;46.1,-30.18,;44.64,-29.71,;44.32,-28.2,;42.85,-27.73,)|
BDBM50336653 CC(C)c1onc(c1COc1ccc(c(C)c1)-c1ccc2nc(ccc2c1)C(O)=O)-c1c(Cl)cccc1Cl |(-2.92,-34.15,;-3.23,-35.66,;-4.69,-36.15,;-2.08,-36.69,;-.57,-36.36,;.2,-37.69,;-.83,-38.84,;-2.23,-38.21,;-3.56,-38.99,;-4.9,-38.22,;-6.23,-39,;-7.56,-38.23,;-8.89,-39.01,;-8.89,-40.55,;-7.56,-41.32,;-7.56,-42.86,;-6.22,-40.55,;-10.23,-41.32,;-10.22,-42.85,;-11.56,-43.63,;-12.9,-42.85,;-14.23,-43.62,;-15.56,-42.86,;-15.57,-41.31,;-14.23,-40.54,;-12.9,-41.31,;-11.57,-40.55,;-16.89,-43.64,;-18.23,-42.87,;-16.89,-45.18,;-.5,-40.34,;.96,-40.81,;2.1,-39.77,;1.28,-42.31,;.14,-43.35,;-1.33,-42.88,;-1.65,-41.37,;-3.12,-40.9,)|
BDBM50336654 CC(C)c1onc(c1COc1ccc(cc1C)-c1ccc2nc(ccc2c1)C(O)=O)-c1c(Cl)cccc1Cl |(19.02,-32.09,;18.7,-33.59,;17.24,-34.08,;19.85,-34.62,;21.36,-34.29,;22.13,-35.62,;21.11,-36.77,;19.7,-36.14,;18.37,-36.92,;17.04,-36.15,;15.7,-36.93,;15.71,-38.48,;14.37,-39.25,;13.04,-38.48,;13.04,-36.94,;14.37,-36.17,;14.36,-34.63,;11.7,-39.25,;11.71,-40.78,;10.38,-41.56,;9.04,-40.79,;7.71,-41.55,;6.38,-40.79,;6.38,-39.25,;7.71,-38.48,;9.04,-39.24,;10.37,-38.48,;5.05,-41.57,;3.71,-40.8,;5.06,-43.11,;21.43,-38.27,;22.89,-38.74,;24.03,-37.71,;23.22,-40.24,;22.07,-41.28,;20.6,-40.81,;20.28,-39.3,;18.82,-38.83,)|
BDBM50336655 CC(C)c1onc(c1COc1ccc(cc1)-c1ccc2nc(cc(O)c2c1)C(O)=O)-c1c(Cl)cccc1Cl |(40.69,-31.32,;40.38,-32.83,;38.92,-33.31,;41.53,-33.86,;43.04,-33.53,;43.81,-34.86,;42.78,-36.01,;41.38,-35.38,;40.05,-36.16,;38.71,-35.39,;37.38,-36.17,;37.39,-37.72,;36.05,-38.49,;34.72,-37.72,;34.72,-36.17,;36.05,-35.4,;33.38,-38.49,;33.39,-40.02,;32.06,-40.79,;30.72,-40.02,;29.39,-40.79,;28.06,-40.03,;28.05,-38.48,;29.39,-37.71,;29.39,-36.17,;30.72,-38.48,;32.05,-37.71,;26.73,-40.81,;25.39,-40.04,;26.73,-42.35,;43.11,-37.51,;44.57,-37.98,;45.71,-36.94,;44.89,-39.48,;43.75,-40.52,;42.28,-40.05,;41.96,-38.54,;40.49,-38.07,)|
BDBM50336656 CC(C)c1onc(c1COc1ccc(cc1)-c1ccc2nc(cc(C)c2c1)C(O)=O)-c1c(Cl)cccc1Cl |(5.96,-43.48,;5.64,-44.99,;4.18,-45.47,;6.79,-46.01,;8.3,-45.69,;9.07,-47.02,;8.05,-48.17,;6.64,-47.54,;5.31,-48.31,;3.98,-47.55,;2.65,-48.32,;2.65,-49.87,;1.31,-50.65,;-.02,-49.88,;-.02,-48.33,;1.31,-47.56,;-1.35,-50.64,;-1.35,-52.18,;-2.68,-52.95,;-4.02,-52.18,;-5.35,-52.95,;-6.68,-52.19,;-6.68,-50.64,;-5.35,-49.87,;-5.35,-48.33,;-4.02,-50.64,;-2.68,-49.87,;-8.01,-52.96,;-9.35,-52.2,;-8,-54.5,;8.37,-49.67,;9.83,-50.14,;10.97,-49.1,;10.16,-51.64,;9.01,-52.68,;7.55,-52.2,;7.22,-50.7,;5.76,-50.22,)|
BDBM50336657 CCc1cc(nc2ccc(cc12)-c1ccc(OCc2c(noc2C(C)C)-c2c(Cl)cccc2Cl)cc1)C(O)=O |(19.87,-48.44,;18.54,-49.21,;18.54,-50.75,;17.2,-51.52,;17.21,-53.07,;18.54,-53.83,;19.87,-53.06,;21.21,-53.83,;22.54,-53.06,;22.53,-51.52,;21.2,-50.75,;19.87,-51.52,;23.87,-50.75,;25.2,-51.53,;26.54,-50.75,;26.53,-49.2,;27.86,-48.43,;29.2,-49.19,;30.53,-48.42,;31.93,-49.04,;32.96,-47.9,;32.19,-46.57,;30.68,-46.89,;29.53,-45.87,;29.84,-44.36,;28.07,-46.35,;32.26,-50.55,;33.72,-51.01,;34.86,-49.98,;34.04,-52.52,;32.9,-53.56,;31.43,-53.08,;31.11,-51.58,;29.64,-51.1,;25.2,-48.44,;23.87,-49.21,;15.88,-53.84,;14.54,-53.08,;15.88,-55.38,)|
BDBM50336658 COc1cc(nc2ccc(cc12)-c1ccc(OCc2c(noc2C(C)C)-c2c(Cl)cccc2Cl)cc1)C(O)=O |(-2.95,1.03,;-4.28,.26,;-4.28,-1.28,;-5.62,-2.05,;-5.61,-3.6,;-4.28,-4.36,;-2.95,-3.59,;-1.61,-4.36,;-.28,-3.59,;-.29,-2.06,;-1.62,-1.28,;-2.95,-2.05,;1.05,-1.29,;2.38,-2.06,;3.72,-1.29,;3.71,.26,;5.04,1.04,;6.38,.27,;7.71,1.05,;9.11,.42,;10.14,1.57,;9.37,2.9,;7.86,2.58,;6.71,3.6,;7.02,5.11,;5.25,3.12,;9.44,-1.08,;10.9,-1.55,;12.04,-.51,;11.22,-3.05,;10.08,-4.09,;8.61,-3.61,;8.29,-2.11,;6.82,-1.64,;2.38,1.03,;1.05,.26,;-6.94,-4.37,;-8.28,-3.61,;-6.94,-5.91,)|
BDBM50336659 CCOc1cc(nc2ccc(cc12)-c1ccc(OCc2c(noc2C(C)C)-c2c(Cl)cccc2Cl)cc1)C(O)=O |(18.6,3.49,;18.6,1.95,;19.93,1.18,;19.93,-.36,;18.59,-1.13,;18.6,-2.68,;19.93,-3.44,;21.26,-2.67,;22.6,-3.45,;23.93,-2.67,;23.92,-1.14,;22.59,-.37,;21.26,-1.13,;25.26,-.37,;26.59,-1.14,;27.93,-.37,;27.92,1.18,;29.25,1.96,;30.59,1.19,;31.92,1.97,;33.33,1.34,;34.35,2.49,;33.58,3.82,;32.07,3.49,;30.92,4.52,;31.23,6.03,;29.46,4.03,;33.65,-.16,;35.11,-.63,;36.25,.41,;35.44,-2.13,;34.29,-3.17,;32.82,-2.7,;32.5,-1.19,;31.04,-.72,;26.59,1.95,;25.26,1.17,;17.27,-3.46,;15.93,-2.69,;17.27,-5,)|
BDBM50336660 CC(C)Oc1cc(nc2ccc(cc12)-c1ccc(OCc2c(noc2C(C)C)-c2c(Cl)cccc2Cl)cc1)C(O)=O |(-5.2,-12.59,;-5.2,-14.13,;-6.53,-14.9,;-3.86,-14.9,;-3.86,-16.44,;-5.2,-17.21,;-5.19,-18.76,;-3.86,-19.52,;-2.53,-18.75,;-1.19,-19.52,;.14,-18.75,;.13,-17.22,;-1.2,-16.44,;-2.53,-17.21,;1.47,-16.45,;2.8,-17.22,;4.14,-16.45,;4.13,-14.9,;5.46,-14.12,;6.8,-14.89,;8.13,-14.11,;9.53,-14.74,;10.56,-13.59,;9.79,-12.26,;8.28,-12.58,;7.13,-11.56,;7.44,-10.05,;5.67,-12.04,;9.86,-16.24,;11.32,-16.71,;12.46,-15.67,;11.64,-18.21,;10.5,-19.25,;9.03,-18.77,;8.71,-17.27,;7.24,-16.79,;2.8,-14.13,;1.47,-14.9,;-6.52,-19.53,;-7.86,-18.77,;-6.52,-21.07,)|
BDBM50342396 CC[C@H]1[C@@H](O)[C@H]2[C@@H]3CC[C@H]([C@H](C)CCNC(=O)OC\C=C\c4ccccc4)[C@@]3(C)CC[C@@H]2[C@@]2(C)CC[C@@H](O)C[C@@H]12 |r|
BDBM50334230 O=C(NC1CCCCC1)C(C1CCCCC1)n1c(nc2ccccc12)-c1ccncc1
BDBM50334231 CS(=O)(=O)c1ccc(cc1)-c1nc2ccccc2n1C(C1CCCCC1)C(=O)NC1CCCCC1
BDBM50334232 O=C(NC1CCCCC1)C(C1CCCCC1)n1c(nc2ccccc12)-c1ccc(cc1)C#N
BDBM50334233 Clc1ccc(cc1)-c1nc2ccccc2n1C(C1CCCCC1)C(=O)NC1CCCCC1
BDBM50334234 Fc1cc2nc(-c3ccc(Cl)cc3)n([C@@H](C3CCCCC3)C(=O)NC3CCCCC3)c2cc1Cl |r|
BDBM50334235 OCc1ccc2nc(-c3ccc(Cl)cc3)n(C(C3CCCCC3)C(=O)NC3CCCCC3)c2c1
BDBM50334236 OC(=O)c1ccc2nc(-c3ccc(Cl)cc3)n(C(C3CCCCC3)C(=O)NC3CCCCC3)c2c1
BDBM50334237 CN(C)c1ccc2nc(-c3ccc(Cl)cc3)n(C(C3CCCCC3)C(=O)NC3CCCCC3)c2c1
BDBM50334238 COc1ccc2nc(-c3ccc(Cl)cc3)n(C(C3CCCCC3)C(=O)NC3CCCCC3)c2c1
BDBM50334239 Clc1ccc(cc1)-c1nc2ccccc2n1C(C1CCCCC1)C(=O)NC1CCOCC1
BDBM50334240 Clc1ccc(cc1)-c1nc2ccccc2n1C(C1CCCCC1)C(=O)NC1CC1
BDBM50334241 FC1(F)CCC(CC1)NC(=O)C(C1CCCCC1)n1c(nc2ccccc12)-c1ccc(Cl)cc1
BDBM50334242 Clc1ccc(cc1)-c1nc2ccccc2n1C(C1CCCCC1)C(=O)Nc1ccccc1
BDBM50334243 Clc1ccc(cc1)-c1nc2ccccc2n1C(C(=O)NC1CCCCC1)c1ccncc1
BDBM50334244 CC(=O)C1CCN(CC1)C(C(=O)NC1CCCCC1)n1c(nc2ccccc12)-c1ccc(Cl)cc1
BDBM50334245 Clc1ccc(cc1)-c1nc2ccccc2n1C(C1CCOCC1)C(=O)NC1CCCCC1
BDBM50334246 CCC(C)CC(C(=O)NC1CCCCC1)n1c(nc2ccccc12)-c1ccc(Cl)cc1
BDBM50329302 CC(C)(C)OC(=O)N[C@@H]1CCN(C1)C(=O)O[C@H]1C2CC3CC1C[C@](C3)(C2)C(N)=O |r,wU:8.7,16.16,wD:23.29,TLB:16:17:24:20.21.22,15:16:24.19.20:22,THB:18:19:22:25.17.16,18:17:24.19.20:22,16:21:24:25.18.17,(42.66,-42.33,;41.12,-42.3,;40.37,-40.95,;41.88,-40.96,;40.33,-43.62,;38.79,-43.6,;38.04,-42.25,;38,-44.92,;36.46,-44.89,;35.57,-43.63,;34.1,-44.08,;34.08,-45.63,;35.53,-46.12,;32.73,-46.39,;32.72,-47.93,;31.41,-45.61,;30.07,-46.36,;30.06,-47.89,;29.04,-49.17,;27.64,-48.6,;27.63,-47.02,;28.67,-45.78,;27.32,-46.26,;27.33,-47.75,;26.14,-49.02,;28.66,-48.24,;25.99,-46.97,;24.65,-47.74,;26,-45.43,)|
BDBM50336375 OC(=O)C1(CC1)Oc1ccc(NC(=O)[C@H](C2CCCCC2)n2c(nc3cc(F)c(F)cc23)-c2ccc(Cl)cc2)c(F)c1 |r|
BDBM50336376 OC(=O)c1cc(F)c(NC(=O)[C@H](C2CCCCC2)n2c(nc3cc(F)c(F)cc23)-c2ccc(Cl)cc2)c(F)c1 |r|
BDBM50336377 OC(=O)c1ccc(NC(=O)[C@H](C2CCCCC2)n2c(nc3cc(F)c(F)cc23)-c2ccc(Cl)cc2)c(c1)C(F)(F)F |r|
BDBM50336378 Fc1cc2nc(-c3ccc(Cl)cc3)n([C@@H](C3CCCCC3)C(=O)Nc3ccc(cc3F)-c3nnn[nH]3)c2cc1F |r|
BDBM50336379 OC(=O)c1ccc(NC(=O)[C@H](C2CCCCC2)n2c(nc3cc(F)c(F)cc23)-c2ccc(Cl)cc2)c(Cl)c1 |r|
BDBM50336380 Fc1cc2nc(-c3ccc(Cl)cc3)n([C@@H](C3CCCCC3)C(=O)NC3CCCCC3)c2cc1F |r|
BDBM50336381 OC(=O)c1ccc(NC(=O)[C@H](C2CCCCC2)n2c(nc3ccccc23)-c2ccc(Cl)cc2)c(c1)C(F)(F)F |r|
BDBM50336382 OC(=O)CCc1ccc(NC(=O)[C@H](C2CCCCC2)n2c(nc3cc(F)c(F)cc23)-c2ccc(Cl)cc2)c(F)c1 |r|
BDBM50336383 Cc1cc(ccc1NC(=O)[C@H](C1CCCCC1)n1c(nc2cc(F)c(F)cc12)-c1ccc(Cl)cc1)C(O)=O |r|
BDBM50336384 O[C@H]1CC[C@@H](CC1)NC(=O)[C@H](C1CCCCC1)n1c(nc2cc(F)c(F)cc12)-c1ccc(Cl)cc1 |r,wU:10.18,4.7,wD:1.0,(28.92,-17.2,;30.26,-16.44,;31.59,-17.22,;32.93,-16.47,;32.94,-14.93,;31.61,-14.15,;30.28,-14.9,;34.28,-14.17,;35.61,-14.95,;35.59,-16.49,;36.94,-14.19,;38.27,-14.97,;38.25,-16.51,;39.57,-17.29,;40.92,-16.53,;40.93,-14.99,;39.6,-14.2,;36.96,-12.65,;37.86,-11.39,;36.94,-10.14,;35.47,-10.63,;34.13,-9.86,;32.8,-10.63,;31.47,-9.86,;32.8,-12.18,;31.47,-12.95,;34.14,-12.95,;35.48,-12.18,;39.4,-11.37,;40.17,-12.7,;41.71,-12.7,;42.48,-11.36,;44.02,-11.35,;41.69,-10.02,;40.15,-10.04,)|
BDBM50336385 OC(=O)[C@H]1CC[C@@H](CC1)NC(=O)[C@H](C1CCCCC1)n1c(nc2cc(F)c(F)cc12)-c1ccc(Cl)cc1 |r,wU:12.20,6.9,wD:3.2,(-9.7,-28.54,;-8.37,-29.32,;-8.39,-30.86,;-7.03,-28.57,;-5.7,-29.35,;-4.35,-28.59,;-4.35,-27.05,;-5.67,-26.27,;-7.01,-27.03,;-3.01,-26.29,;-1.68,-27.07,;-1.69,-28.61,;-.34,-26.31,;.99,-27.09,;.96,-28.63,;2.29,-29.41,;3.63,-28.66,;3.64,-27.12,;2.31,-26.33,;-.33,-24.77,;.57,-23.51,;-.35,-22.26,;-1.82,-22.75,;-3.15,-21.99,;-4.48,-22.76,;-5.82,-21.99,;-4.48,-24.3,;-5.82,-25.07,;-3.15,-25.07,;-1.81,-24.3,;2.11,-23.5,;2.89,-24.83,;4.42,-24.82,;5.19,-23.48,;6.73,-23.47,;4.4,-22.15,;2.87,-22.16,)|
BDBM50336386 OC(=O)c1ccc(NC(=O)[C@H](C2CCCCC2)n2c(nc3cc(F)c(F)cc23)-c2ccc(Cl)cc2)cc1 |r|
BDBM50336387 OC(=O)c1ccc(NC(=O)[C@H](C2CCCCC2)n2c(nc3cc(F)c(F)cc23)-c2ccc(Cl)cc2)c(F)c1 |r|
BDBM50336388 COc1ccc(-c2nc3cc(F)c(F)cc3n2[C@@H](C2CCCCC2)C(=O)N[C@H]2CC[C@@H](CC2)C(O)=O)c(OC)n1 |r,wU:17.18,27.29,wD:30.36,(11.8,-19.09,;11.04,-17.76,;9.49,-17.74,;8.72,-19.08,;7.17,-19.07,;6.42,-17.75,;4.41,-17.75,;3.93,-16.28,;2.39,-16.28,;1.33,-15.13,;-.15,-15.46,;-1.19,-14.32,;-.62,-16.92,;-2.12,-17.24,;.41,-18.07,;1.92,-17.75,;3.17,-18.65,;3.17,-20.21,;4.5,-20.98,;4.5,-22.52,;5.84,-23.29,;7.17,-22.52,;7.17,-20.98,;5.84,-20.21,;1.83,-20.98,;1.83,-22.52,;.5,-20.21,;-.84,-20.98,;-.84,-22.53,;-2.16,-23.29,;-3.47,-22.54,;-3.47,-21,;-2.17,-20.21,;-4.83,-23.32,;-6.17,-22.55,;-4.83,-24.88,;7.19,-16.41,;6.42,-15.07,;7.12,-13.7,;8.73,-16.41,)|
BDBM50336389 OC(=O)c1ccccc1NC(=O)C(C1CCCCC1)n1c(nc2cc(F)c(F)cc12)-c1ccc(Cl)cc1
BDBM50336390 OC(=O)c1sc(NC(=O)C(C2CCCCC2)n2c(nc3cc(F)c(F)cc23)-c2ccc(Cl)cc2)nc1C(F)(F)F
BDBM50336391 OC(=O)c1ccc(NC(=O)C(C2CCCCC2)n2c(nc3cc(F)c(F)cc23)-c2ccc(Cl)cc2)cn1
BDBM50336392 OC(=O)c1ccc(NC(=O)[C@H](C2CCCCC2)n2c(nc3cc(F)ccc23)-c2ccc(Cl)cc2)c(F)c1 |r|
BDBM50336393 OC(=O)CCc1ccc(NC(=O)C(C2CCCCC2)n2c(nc3cc(F)c(F)cc23)-c2ccc(Cl)cc2)cc1
BDBM50336394 Cc1nc(NC(=O)C(C2CCCCC2)n2c(nc3cc(F)c(F)cc23)-c2ccc(Cl)cc2)sc1C(O)=O
BDBM50336395 OC(=O)c1ccc(NC(=O)C(C2CCCCC2)n2c(nc3cc(F)c(F)cc23)-c2ccc(Cl)cc2)nc1
BDBM50336396 COc1ccc(-c2nc3cc(F)c(F)cc3n2[C@@H](C2CCCCC2)C(=O)N[C@H]2CC[C@@H](CC2)C(O)=O)c(Cl)n1 |r,wU:17.18,27.29,wD:30.36,(29.58,-17.54,;28.81,-16.2,;27.27,-16.19,;26.5,-17.52,;24.95,-17.52,;24.2,-16.19,;22.19,-16.19,;21.71,-14.72,;20.17,-14.72,;19.11,-13.57,;17.63,-13.9,;16.59,-12.76,;17.16,-15.36,;15.65,-15.68,;18.19,-16.51,;19.69,-16.19,;20.95,-17.09,;20.95,-18.65,;22.28,-19.42,;22.28,-20.96,;23.61,-21.73,;24.95,-20.96,;24.95,-19.42,;23.62,-18.65,;19.61,-19.42,;19.61,-20.96,;18.28,-18.65,;16.94,-19.42,;16.94,-20.97,;15.62,-21.73,;14.31,-20.98,;14.31,-19.44,;15.61,-18.66,;12.95,-21.76,;11.63,-21,;12.95,-23.32,;24.96,-14.85,;24.18,-13.5,;26.51,-14.85,)|
BDBM50336397 OC(=O)C[C@H]1CC[C@@H](CC1)NC(=O)[C@H](C1CCCCC1)n1c(nc2cc(F)c(F)cc12)-c1ccc(Cl)cc1 |r,wU:13.21,4.3,wD:7.10,(7.34,-4.5,;8.68,-3.75,;8.7,-2.21,;10.01,-4.53,;11.35,-3.78,;11.37,-2.23,;12.7,-1.48,;14.03,-2.27,;14.02,-3.8,;12.68,-4.56,;15.37,-1.51,;16.7,-2.29,;16.69,-3.83,;18.04,-1.53,;19.36,-2.31,;19.34,-3.85,;20.66,-4.63,;22.01,-3.88,;22.02,-2.34,;20.69,-1.55,;18.05,.01,;18.95,1.27,;18.03,2.52,;16.56,2.03,;15.23,2.79,;13.9,2.02,;12.56,2.79,;13.89,.48,;12.56,-.29,;15.23,-.29,;16.57,.48,;20.49,1.28,;21.27,-.05,;22.8,-.04,;23.57,1.3,;25.11,1.31,;22.78,2.63,;21.25,2.62,)|
BDBM50336398 COc1cc(ccc1NC(=O)[C@H](C1CCCCC1)n1c(nc2cc(F)c(F)cc12)-c1ccc(Cl)cc1)C(O)=O |r|
BDBM50336399 OC(=O)CO[C@H]1CC[C@@H](CC1)NC(=O)[C@H](C1CCCCC1)n1c(nc2cc(F)c(F)cc12)-c1ccc(Cl)nc1 |r,wU:14.22,5.4,wD:8.11,(22.55,-43.58,;23.89,-44.35,;23.89,-45.89,;25.22,-43.58,;26.55,-44.35,;27.89,-43.58,;27.89,-42.04,;29.22,-41.27,;30.55,-42.03,;30.56,-43.57,;29.22,-44.35,;31.89,-41.27,;33.22,-42.05,;33.21,-43.59,;34.56,-41.29,;35.88,-42.07,;35.86,-43.61,;37.18,-44.39,;38.53,-43.64,;38.54,-42.1,;37.21,-41.31,;34.57,-39.75,;35.47,-38.49,;34.55,-37.24,;33.08,-37.73,;31.75,-36.97,;30.42,-37.74,;29.08,-36.97,;30.41,-39.28,;29.08,-40.05,;31.75,-40.05,;33.09,-39.28,;37.01,-38.48,;37.77,-37.14,;39.3,-37.13,;40.09,-38.46,;41.63,-38.45,;39.32,-39.8,;37.79,-39.81,)|
BDBM50336400 OC(=O)c1cccc(NC(=O)C(C2CCCCC2)n2c(nc3cc(F)c(F)cc23)-c2ccc(Cl)cc2)c1
BDBM50336401 OC(=O)Cc1ccc(NC(=O)C(C2CCCCC2)n2c(nc3cc(F)c(F)cc23)-c2ccc(Cl)cc2)cc1
BDBM50336402 OC(=O)[C@H]1CC[C@@H](CC1)NC(=O)[C@H](C1CCCCC1)n1c(nc2cc(F)c(F)cc12)-c1ccc(Cl)nc1 |r,wU:12.20,3.2,wD:6.9,(31.87,-43.46,;33.2,-44.23,;33.19,-45.77,;34.54,-43.47,;34.55,-41.93,;35.89,-41.17,;37.22,-41.96,;37.21,-43.5,;35.86,-44.25,;38.55,-41.2,;39.88,-41.97,;39.87,-43.51,;41.22,-41.21,;42.55,-41.99,;42.53,-43.53,;43.85,-44.31,;45.19,-43.56,;45.21,-42.02,;43.88,-41.23,;41.23,-39.68,;42.14,-38.41,;41.22,-37.17,;39.75,-37.65,;38.41,-36.89,;37.08,-37.66,;35.75,-36.89,;37.08,-39.2,;35.75,-39.97,;38.41,-39.98,;39.76,-39.2,;43.67,-38.4,;44.43,-37.07,;45.97,-37.05,;46.75,-38.38,;48.29,-38.37,;45.99,-39.72,;44.45,-39.73,)|
BDBM50336403 OC(=O)[C@H]1CC[C@H](CNC(=O)[C@H](C2CCCCC2)n2c(nc3cc(F)c(F)cc23)-c2ccc(Cl)cc2)CC1 |r,wU:11.18,6.6,wD:3.2,(-6.64,-8.02,;-5.3,-7.27,;-3.97,-8.05,;-5.29,-5.72,;-3.94,-4.96,;-3.93,-3.42,;-5.25,-2.65,;-5.24,-1.11,;-3.9,-.35,;-2.58,-1.13,;-2.59,-2.67,;-1.24,-.37,;.09,-1.15,;.07,-2.68,;1.39,-3.46,;2.73,-2.71,;2.75,-1.17,;1.42,-.38,;-1.23,1.17,;-.32,2.43,;-1.24,3.68,;-2.71,3.2,;-4.05,3.96,;-5.38,3.19,;-6.71,3.96,;-5.38,1.64,;-6.71,.88,;-4.04,.87,;-2.7,1.64,;1.22,2.45,;1.99,1.12,;3.53,1.13,;4.29,2.46,;5.83,2.48,;3.51,3.8,;1.97,3.78,;-6.6,-3.4,;-6.61,-4.93,)|
BDBM50335907 [#6]-[#6](=O)-[#6]-[#6]\[#6]=[#6](/[#6])-[#6]-[#6@H]-1-[#8]-[#6](=O)-[#6](-[#6]-[#6]\[#6]=[#6](\[#6])-[#6])=[#6]-1 |r,c:19|
BDBM50335908 [#6]\[#6](-[#6])=[#6]\[#6]-[#6]-[#6]-1=[#6]-[#6@@H](-[#6]\[#6](-[#6])=[#6]\[#6]-[#6][C@]2([#6])[#8]-c3c(-[#6])cc(-[#8])cc3-[#6]=[#6]2)-[#8]-[#6]-1=O |r,c:27,t:6|
BDBM50335909 [#6]\[#6](-[#6])=[#6]\[#6]-[#6]-[#6]-1=[#6]-[#6@@H](-[#6]\[#6](-[#6])=[#6]\[#6]-[#6][C@@]2([#6])[#8]-c3c(-[#6])cc(-[#8])cc3-[#6]=[#6]2)-[#8]-[#6]-1=O |r,c:27,t:6|
BDBM50335910 [#6]\[#6](-[#6])=[#6]/[#6]-[#6]-[#6]-1=[#6]-[#6@@H](-[#6]\[#6](-[#6])=[#6]\[#6]-[#6]-[#6](-[#6])=[#6]-[#6]-[#6]-2=[#6]-[#6](=O)-[#6]=[#6](-[#6])-[#6]-2=O)-[#8]-[#6]-1=O |r,w:17.17,t:6,19,23|
BDBM50335911 [#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-[#6][C@@]1([#6])[#8]-c2c(-[#6])cc(-[#8])cc2-[#6]=[#6]1)-[#6](-[#8])=O |r,c:27|
BDBM50335912 [#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-[#6][C@]1([#6])[#8]-c2c(-[#6])cc(-[#8])cc2-[#6]=[#6]1)-[#6](-[#8])=O |r,c:27|
BDBM50353386 C[C@H](N1CC[C@@](CCO)(OC1=O)c1ccc(F)cc1)c1ccc(cc1)-c1ccc(F)cc1F |r|
BDBM50355014 CC(C)c1onc(c1COc1ccc(cc1)-c1nc2c(cccc2[nH]1)C(O)=O)-c1c(Cl)cccc1Cl |(1.84,-3.97,;1.53,-5.48,;.06,-5.96,;2.68,-6.5,;4.18,-6.18,;4.96,-7.51,;3.93,-8.65,;2.52,-8.04,;1.19,-8.81,;-.15,-8.05,;-1.48,-8.82,;-1.47,-10.37,;-2.81,-11.14,;-4.14,-10.37,;-4.14,-8.83,;-2.81,-8.06,;-5.48,-11.14,;-5.63,-12.68,;-7.14,-13,;-7.91,-14.32,;-9.44,-14.33,;-10.22,-12.99,;-9.44,-11.66,;-7.9,-11.66,;-6.88,-10.52,;-7.14,-15.66,;-7.91,-16.99,;-5.6,-15.66,;4.26,-10.16,;5.72,-10.62,;6.85,-9.58,;6.05,-12.12,;4.91,-13.16,;3.44,-12.69,;3.11,-11.19,;1.65,-10.72,)|
BDBM50355015 CC(C)c1onc(c1COc1ccc(cc1)-c1ccc2C(CCCc2c1)C(O)=O)-c1c(Cl)cccc1Cl |(20.61,-4.33,;20.29,-5.83,;18.83,-6.32,;21.44,-6.86,;22.95,-6.53,;23.72,-7.86,;22.7,-9.01,;21.29,-8.39,;19.96,-9.17,;18.62,-8.4,;17.29,-9.18,;17.3,-10.73,;15.96,-11.5,;14.63,-10.73,;14.63,-9.19,;15.96,-8.41,;13.29,-11.5,;13.3,-13.03,;11.97,-13.81,;10.63,-13.03,;9.3,-13.8,;7.96,-13.03,;7.96,-11.49,;9.29,-10.72,;10.63,-11.49,;11.96,-10.73,;9.31,-15.35,;7.97,-16.12,;10.64,-16.11,;23.02,-10.52,;24.48,-10.98,;25.62,-9.94,;24.82,-12.48,;23.67,-13.52,;22.2,-13.05,;21.88,-11.55,;20.41,-11.07,)|
BDBM50355016 CC(C)c1onc(c1COc1ccc(cc1)-c1ccc2c(csc2c1)C(O)=O)-c1c(Cl)cccc1Cl |(41.54,-2.23,;41.22,-3.74,;39.76,-4.22,;42.37,-4.77,;43.88,-4.44,;44.65,-5.77,;43.63,-6.92,;42.22,-6.3,;40.89,-7.08,;39.55,-6.31,;38.22,-7.09,;38.23,-8.64,;36.89,-9.41,;35.56,-8.64,;35.56,-7.09,;36.89,-6.32,;34.22,-9.41,;34.23,-10.94,;32.9,-11.71,;31.56,-10.94,;30.09,-11.42,;29.19,-10.18,;30.09,-8.93,;31.55,-9.4,;32.89,-8.63,;29.62,-12.89,;28.11,-13.21,;30.65,-14.03,;43.95,-8.43,;45.41,-8.89,;46.55,-7.85,;45.75,-10.39,;44.6,-11.43,;43.13,-10.96,;42.81,-9.46,;41.34,-8.98,)|
BDBM50355017 CC(C)c1onc(c1COc1ccc(cc1)-c1ccc2c(c[nH]c2c1)C(O)=O)-c1c(Cl)cccc1Cl |(3.55,-15.82,;3.24,-17.33,;1.78,-17.81,;4.39,-18.35,;5.89,-18.03,;6.67,-19.36,;5.64,-20.51,;4.23,-19.89,;2.9,-20.66,;1.57,-19.9,;.23,-20.67,;.24,-22.22,;-1.1,-23,;-2.43,-22.23,;-2.43,-20.68,;-1.1,-19.91,;-3.77,-22.99,;-3.76,-24.53,;-5.09,-25.3,;-6.43,-24.53,;-7.89,-25.01,;-8.8,-23.77,;-7.9,-22.52,;-6.43,-22.99,;-5.1,-22.22,;-8.37,-26.48,;-9.87,-26.8,;-7.34,-27.62,;5.97,-22.01,;7.43,-22.47,;8.56,-21.43,;7.76,-23.97,;6.62,-25.02,;5.15,-24.55,;4.82,-23.04,;3.36,-22.57,)|
BDBM50355018 CC(C)c1onc(c1COc1ccc(Cn2ccc3ccc(cc23)C(O)=O)cc1)-c1c(Cl)cccc1Cl |(15.55,-27.25,;15.53,-28.79,;14.18,-29.54,;16.85,-29.58,;18.31,-29.08,;19.23,-30.3,;18.35,-31.57,;16.88,-31.12,;15.55,-31.9,;14.21,-31.13,;12.88,-31.91,;11.55,-31.14,;10.22,-31.91,;10.22,-33.46,;8.88,-34.23,;7.64,-33.32,;7.64,-31.78,;6.18,-31.3,;5.28,-32.54,;3.75,-32.7,;3.12,-34.09,;4.02,-35.34,;5.54,-35.18,;6.17,-33.79,;3.39,-36.75,;4.3,-38,;1.86,-36.91,;11.55,-34.23,;12.89,-33.46,;19.09,-32.92,;20.63,-32.94,;21.42,-31.62,;21.37,-34.28,;20.57,-35.61,;19.03,-35.58,;18.29,-34.23,;16.75,-34.19,)|
BDBM50355019 CC(C)c1onc(c1COc1ccc(cc1)-c1ccc2sc(cc2c1)C(O)=O)-c1c(Cl)cccc1Cl |(5.08,-27.37,;4.77,-28.88,;3.31,-29.36,;5.92,-29.9,;7.42,-29.58,;8.2,-30.91,;7.17,-32.06,;5.77,-31.44,;4.43,-32.21,;3.1,-31.45,;1.77,-32.22,;1.77,-33.77,;.44,-34.55,;-.9,-33.78,;-.9,-32.23,;.43,-31.46,;-2.23,-34.54,;-2.27,-36.08,;-3.63,-36.81,;-4.94,-36.01,;-6.4,-36.45,;-7.28,-35.19,;-6.35,-33.97,;-4.9,-34.48,;-3.54,-33.74,;-8.82,-35.16,;-9.56,-33.81,;-9.62,-36.48,;7.5,-33.56,;8.96,-34.02,;10.1,-32.98,;9.29,-35.52,;8.15,-36.57,;6.68,-36.1,;6.35,-34.59,;4.89,-34.12,)|
BDBM50355020 CC(C)c1onc(c1COc1ccc(Sc2cccc3sc(cc23)C(O)=O)cc1)-c1c(Cl)cccc1Cl |(46.86,-16.34,;46.54,-17.84,;45.08,-18.32,;47.69,-18.87,;49.2,-18.54,;49.97,-19.87,;48.95,-21.02,;47.54,-20.4,;46.21,-21.18,;44.87,-20.41,;43.54,-21.19,;43.55,-22.74,;42.21,-23.51,;40.88,-22.74,;39.54,-23.51,;38.21,-22.74,;38.22,-21.2,;36.89,-20.43,;35.55,-21.2,;35.55,-22.74,;34.42,-23.78,;35.05,-25.17,;36.57,-25.01,;36.89,-23.51,;34.28,-26.52,;32.74,-26.52,;35.06,-27.85,;40.88,-21.19,;42.21,-20.42,;49.27,-22.53,;50.73,-22.99,;51.87,-21.95,;51.07,-24.49,;49.92,-25.53,;48.45,-25.06,;48.13,-23.56,;46.66,-23.08,)|
BDBM50355021 CC(C)c1onc(c1COc1ccc(cc1)-c1ccc2oc(cc2c1)C(O)=O)-c1c(Cl)cccc1Cl |(25.35,-27.64,;25.04,-29.14,;23.58,-29.63,;26.19,-30.17,;27.69,-29.84,;28.47,-31.17,;27.44,-32.32,;26.03,-31.7,;24.7,-32.48,;23.37,-31.71,;22.04,-32.49,;22.04,-34.04,;20.7,-34.81,;19.37,-34.04,;19.37,-32.5,;20.7,-31.72,;18.04,-34.81,;18,-36.34,;16.64,-37.07,;15.33,-36.28,;13.86,-36.72,;12.99,-35.46,;13.92,-34.24,;15.37,-34.74,;16.73,-34,;11.44,-35.43,;10.7,-34.08,;10.65,-36.74,;27.77,-33.83,;29.23,-34.29,;30.36,-33.25,;29.56,-35.79,;28.42,-36.83,;26.95,-36.36,;26.62,-34.86,;25.16,-34.38,)|
BDBM50355022 CC(C)c1onc(c1COc1ccc(cc1)-c1ccc2cc([nH]c2c1)C(O)=O)-c1c(Cl)cccc1Cl |(4.85,-36.74,;4.54,-38.24,;3.07,-38.73,;5.69,-39.27,;7.19,-38.94,;7.97,-40.27,;6.94,-41.42,;5.53,-40.8,;4.2,-41.58,;2.86,-40.81,;1.53,-41.59,;1.54,-43.14,;.2,-43.91,;-1.13,-43.14,;-1.13,-41.6,;.2,-40.82,;-2.46,-43.91,;-2.5,-45.44,;-3.86,-46.17,;-5.17,-45.38,;-6.64,-45.82,;-7.52,-44.56,;-6.59,-43.33,;-5.13,-43.84,;-3.78,-43.1,;-9.06,-44.52,;-9.8,-43.17,;-9.87,-45.83,;7.27,-42.93,;8.73,-43.39,;9.86,-42.35,;9.06,-44.89,;7.92,-45.93,;6.45,-45.46,;6.12,-43.96,;4.66,-43.48,)|
BDBM50355023 CC(C)c1onc(c1COc1ccc(cc1)-c1ccc2[nH]c(cc2c1)C(O)=O)-c1c(Cl)cccc1Cl |(47.02,-27.11,;46.71,-28.61,;45.25,-29.1,;47.86,-29.64,;49.36,-29.31,;50.14,-30.65,;49.11,-31.79,;47.7,-31.17,;46.37,-31.95,;45.04,-31.18,;43.7,-31.96,;43.71,-33.51,;42.37,-34.28,;41.04,-33.51,;41.04,-31.97,;42.37,-31.2,;39.71,-34.28,;39.67,-35.82,;38.31,-36.54,;37,-35.75,;35.53,-36.19,;34.66,-34.93,;35.59,-33.71,;37.04,-34.21,;38.4,-33.47,;33.11,-34.9,;32.37,-33.55,;32.31,-36.21,;49.44,-33.3,;50.9,-33.76,;52.03,-32.72,;51.23,-35.26,;50.09,-36.3,;48.62,-35.83,;48.29,-34.33,;46.83,-33.86,)|
BDBM50355024 CC(C)c1onc(c1COc1ccc(cc1)-c1ccc2sc(cc2n1)C(O)=O)-c1c(Cl)cccc1Cl |(25.45,-37.97,;25.13,-39.48,;23.67,-39.96,;26.28,-40.51,;27.79,-40.18,;28.56,-41.51,;27.54,-42.66,;26.13,-42.04,;24.8,-42.82,;23.46,-42.05,;22.13,-42.83,;22.13,-44.38,;20.8,-45.15,;19.46,-44.38,;19.47,-42.83,;20.79,-42.06,;18.13,-45.14,;18.09,-46.68,;16.73,-47.41,;15.43,-46.61,;13.96,-47.06,;13.08,-45.79,;14.01,-44.57,;15.46,-45.08,;16.82,-44.34,;11.54,-45.76,;10.8,-44.41,;10.74,-47.08,;27.86,-44.16,;29.32,-44.62,;30.46,-43.58,;29.65,-46.12,;28.51,-47.17,;27.04,-46.7,;26.72,-45.19,;25.25,-44.72,)|
BDBM50355025 CC(C)c1onc(c1COc1ccc(cc1)-c1ccc2CC(Cc2c1)C(O)=O)-c1c(Cl)cccc1Cl |(49.11,-38.14,;48.79,-39.65,;47.33,-40.13,;49.94,-40.68,;51.45,-40.35,;52.22,-41.68,;51.2,-42.83,;49.79,-42.21,;48.46,-42.99,;47.12,-42.22,;45.79,-43,;45.79,-44.55,;44.46,-45.32,;43.12,-44.55,;43.13,-43,;44.45,-42.23,;41.79,-45.31,;41.75,-46.85,;40.39,-47.58,;39.09,-46.79,;37.62,-47.23,;36.74,-45.97,;37.67,-44.74,;39.12,-45.25,;40.48,-44.51,;35.2,-45.94,;34.46,-44.58,;34.4,-47.25,;51.52,-44.34,;52.98,-44.8,;54.12,-43.76,;53.31,-46.3,;52.17,-47.34,;50.7,-46.87,;50.38,-45.37,;48.91,-44.89,)|
BDBM50351162 CC1(C)CCC[C@@]2(C)[C@H]1CC[C@]1(C)[C@@H](CCc3ccoc3)\C(CC[C@H]21)=C\OS([O-])(=O)=O |r|
BDBM50375549 C[C@H](CCCS(O)(=O)=O)[C@H]1CCC2C3[C@@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)C3CC[C@]12C |r|
BDBM50375551 C[C@H](CCCS(O)(=O)=O)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
BDBM50375552 C[C@H](CCCO)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
BDBM50375553 CCC[C@H]1C[C@@H]2CCCC[C@]2(C)[C@H]2CC[C@]3(C)[C@H](CC[C@H]3[C@H]12)[C@H](C)CCC(O)=O
BDBM50375554 CC[C@H]1C[C@@H]2CCCC[C@]2(C)[C@H]2CC[C@]3(C)[C@H](CC[C@H]3[C@H]12)[C@H](C)CCC(O)=O
BDBM50375555 C[C@H](CCC(O)=O)[C@H]1CC[C@H]2[C@@H]3[C@H](F)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
BDBM50375556 C[C@H](CCC(O)=O)[C@H]1CC[C@H]2[C@@H]3C(C)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C |w:12.12|
BDBM50375557 C[C@H](CCC(=O)NCCS(O)(=O)=O)[C@H]1CC[C@H]2[C@@H]3[C@@H](C)C[C@@H]4CCCC[C@]4(C)[C@H]3CC[C@]12C
BDBM50375577 C[C@H](CCC(O)=O)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4CCCC[C@]4(C)[C@H]3CC[C@]12C
BDBM50375590 C[C@H](CCC(=O)NCC(O)=O)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
BDBM50375595 C[C@H](CCC(=O)NCCS(O)(=O)=O)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
BDBM50384051 CC(C)c1onc(c1COc1ccc(C(=O)N(c2cccc(c2)C(O)=O)c2cccc3ccccc23)c(Cl)c1)-c1c(Cl)cccc1Cl |(43.76,-25.58,;43.45,-27.08,;41.99,-27.57,;44.6,-28.11,;46.11,-27.78,;46.88,-29.11,;45.86,-30.26,;44.46,-29.64,;43.13,-30.42,;41.79,-29.65,;40.46,-30.43,;39.11,-29.67,;37.79,-30.45,;37.8,-31.98,;36.47,-32.75,;36.48,-34.29,;35.13,-31.99,;33.8,-32.76,;33.81,-34.31,;32.47,-35.08,;31.14,-34.31,;31.14,-32.77,;32.47,-32,;29.81,-32,;28.48,-32.77,;29.81,-30.46,;35.13,-30.45,;36.46,-29.68,;36.46,-28.14,;35.12,-27.37,;33.79,-28.16,;32.46,-27.41,;31.14,-28.18,;31.16,-29.72,;32.49,-30.47,;33.8,-29.69,;39.14,-32.75,;39.14,-34.29,;40.47,-31.97,;45.85,-31.79,;47.18,-32.56,;48.51,-31.8,;47.17,-34.1,;45.83,-34.87,;44.5,-34.09,;44.51,-32.55,;43.18,-31.77,)|
BDBM50384048 CC(C)c1onc(c1COc1ccc(N(C(=O)c2cccc(c2)C(O)=O)c2cccc3ccccc23)c(Cl)c1)-c1c(Cl)cccc1Cl |(8.68,-38.12,;8.37,-39.62,;6.91,-40.11,;9.53,-40.65,;11.03,-40.32,;11.81,-41.65,;10.78,-42.8,;9.38,-42.18,;8.05,-42.96,;6.71,-42.2,;5.38,-42.97,;5.39,-44.51,;4.06,-45.29,;2.72,-44.52,;1.39,-45.29,;.06,-44.53,;.05,-42.99,;-1.27,-45.3,;-1.27,-46.85,;-2.61,-47.62,;-3.94,-46.85,;-3.94,-45.31,;-2.61,-44.54,;-5.28,-44.54,;-5.28,-43,;-6.61,-45.31,;1.4,-46.83,;.07,-47.6,;.08,-49.14,;1.41,-49.91,;2.74,-49.12,;4.07,-49.87,;5.39,-49.1,;5.38,-47.57,;4.05,-46.82,;2.74,-47.59,;2.71,-42.99,;1.37,-42.23,;4.04,-42.21,;11.11,-44.3,;12.57,-44.76,;13.71,-43.72,;12.91,-46.26,;11.76,-47.3,;10.3,-46.83,;9.97,-45.33,;8.5,-44.86,)|
BDBM50384052 CCCCN(C(=O)c1ccc(OCc2c(onc2-c2c(Cl)cccc2Cl)C(C)C)cc1Cl)c1cccc(c1)C(O)=O |(38.41,-16.09,;37.08,-16.86,;37.09,-18.4,;35.76,-19.18,;35.76,-20.72,;37.1,-21.48,;37.11,-23.02,;38.43,-20.71,;38.42,-19.18,;39.74,-18.4,;41.09,-19.16,;42.42,-18.38,;43.76,-19.15,;45.09,-18.37,;45.23,-16.84,;46.74,-16.51,;47.51,-17.84,;46.49,-18.99,;46.48,-20.52,;47.81,-21.29,;49.14,-20.53,;47.8,-22.83,;46.46,-23.6,;45.13,-22.82,;45.14,-21.28,;43.81,-20.5,;44.08,-15.81,;44.39,-14.31,;42.62,-16.3,;41.1,-20.7,;39.77,-21.48,;39.77,-23.02,;34.43,-21.49,;34.44,-23.04,;33.1,-23.81,;31.77,-23.04,;31.77,-21.5,;33.1,-20.73,;30.44,-20.73,;29.11,-21.5,;30.44,-19.19,)|
BDBM50384049 CC(C)c1onc(c1COc1ccc(N(Cc2ccccc2)C(=O)c2cccc(c2)C(O)=O)c(Cl)c1)-c1c(Cl)cccc1Cl |(-5.05,-.93,;-6.23,.05,;-7.68,-.48,;-5.97,1.57,;-7.04,2.68,;-6.32,4.04,;-4.8,3.77,;-4.59,2.25,;-3.23,1.53,;-3.17,-.01,;-1.81,-.73,;-.5,.09,;.86,-.63,;.91,-2.17,;2.28,-2.89,;2.33,-4.43,;3.69,-5.15,;5,-4.33,;6.36,-5.05,;6.42,-6.59,;5.11,-7.41,;3.75,-6.69,;3.62,-2.14,;4.94,-2.93,;3.64,-.6,;2.32,.19,;2.35,1.73,;3.69,2.48,;5.01,1.69,;4.99,.15,;6.36,2.44,;6.38,3.98,;7.68,1.65,;-.39,-2.99,;-.33,-4.53,;-1.75,-2.27,;-3.7,4.84,;-2.22,4.42,;-1.84,2.93,;-1.11,5.5,;-1.49,6.99,;-2.97,7.41,;-4.08,6.34,;-5.56,6.76,)|
BDBM50384050 CC(C)c1onc(c1COc1ccc(C(=O)N(Cc2ccccc2)c2ccc(cc2)C(O)=O)c(Cl)c1)-c1c(Cl)cccc1Cl |(19.95,-42.12,;19.64,-43.63,;18.18,-44.11,;20.8,-44.65,;22.3,-44.32,;23.08,-45.65,;22.05,-46.8,;20.65,-46.18,;19.32,-46.96,;17.98,-46.2,;16.65,-46.98,;15.31,-46.21,;13.98,-46.99,;13.99,-48.52,;12.66,-49.29,;12.67,-50.83,;11.33,-48.53,;11.32,-46.99,;9.98,-46.22,;9.98,-44.68,;8.65,-43.92,;7.31,-44.69,;7.32,-46.24,;8.66,-47,;10,-49.3,;10,-50.85,;8.66,-51.63,;7.33,-50.86,;7.33,-49.31,;8.66,-48.54,;6,-51.62,;4.66,-50.85,;5.99,-53.16,;15.33,-49.29,;15.33,-50.83,;16.66,-48.52,;22.04,-48.33,;23.37,-49.11,;24.7,-48.34,;23.36,-50.64,;22.02,-51.41,;20.69,-50.63,;20.7,-49.09,;19.37,-48.31,)|
BDBM50384047 C[C@H](CCC([O-])=O)[C@H]1CC[C@@H]2[C@]1(C)[C@@H](O)C[C@H]1[C@@]2(C)CC[C@@H]2C[C@H](O)CC[C@]12C |r|
BDBM50388772 CC[C@H]1[C@@H](O)[C@H]2[C@@H]3C[C@H](O)[C@H]([C@H](C)CCC([O-])=O)[C@@]3(C)CC[C@@H]2[C@@]2(C)CC[C@@H](O)C[C@@H]12 |r|
BDBM50388773 CC[C@H]1[C@@H](O)[C@H]2[C@@H]3C[C@@H](O)[C@H]([C@H](C)CCC([O-])=O)[C@@]3(C)CC[C@@H]2[C@@]2(C)CC[C@@H](O)C[C@@H]12 |r|
BDBM50388774 C[C@H](CCC([O-])=O)[C@H]1[C@@H](O)C[C@H]2[C@@H]3[C@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C |r|
BDBM50388775 C[C@H](CCC([O-])=O)[C@H]1[C@H](O)C[C@H]2[C@@H]3[C@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C |r|
BDBM50394411 COC(=O)\C=C\c1cccc(c1)N(Cc1ccc(cc1)-c1ccc(cc1)C(C)(C)C)C(=O)C(C)C
BDBM50394412 COC(=O)\C=C\c1cccc(c1)N(Cc1ccc(cc1)-c1ccccc1OC)C(=O)C(C)C
BDBM50394413 COC(=O)\C=C\c1cccc(c1)N(Cc1ccc(\C=C\c2ccccc2)cc1)C(=O)C1CCCCC1
BDBM50394414 NC(=O)c1ccc(NC(=O)[C@@H](Cc2ccccc2)NC(=O)c2ccc(Cl)cc2)cc1 |r|
BDBM50394415 Oc1ccc(cc1)C(=O)OCC(=O)Nc1sc2CCCCc2c1C(=O)c1ccccc1
BDBM50394416 C[C@@H]1CCc2c(C1)sc1nc(CN3CCOCC3)nc(N[C@H](c3ccccc3)c3ccccn3)c21 |r|
BDBM50394417 CC(C)c1onc(c1COc1ccc(c(C)c1)-c1ccc2n(C)cc(C(O)=O)c2c1)-c1c(Cl)cncc1Cl |(3.38,5.36,;3.39,3.82,;2.01,3.15,;4.67,2.96,;6.12,3.49,;7.06,2.27,;6.2,1,;4.73,1.42,;3.51,.47,;2.17,1.23,;.84,.46,;-.5,1.22,;-1.83,.44,;-1.81,-1.09,;-.48,-1.86,;-.48,-3.4,;.85,-1.08,;-3.14,-1.86,;-3.14,-3.41,;-4.48,-4.18,;-5.81,-3.41,;-7.27,-3.89,;-7.74,-5.36,;-8.18,-2.65,;-7.28,-1.41,;-7.76,.06,;-6.74,1.21,;-9.27,.37,;-5.82,-1.88,;-4.48,-1.1,;6.97,-.33,;8.5,-.33,;9.27,1,;9.27,-1.66,;8.5,-3,;6.96,-3,;6.19,-1.66,;4.65,-1.66,)|
BDBM50385200 COc1ccccc1-n1nc(C)c2[C@H](S[C@@H](C)C(=O)Nc12)c1ccc(Oc2ccccc2)cc1 |r|
BDBM50385201 CC1SC(c2c(C)nn(c2NC1=O)-c1ccccc1I)c1ccc(Oc2ccccc2)cc1
BDBM50385202 CC1SC(c2c(C)nn(c2NC1=O)-c1ccccc1Br)c1ccc(Oc2ccccc2)cc1
BDBM50385203 CC1SC(c2c(C)nn(c2NC1=O)-c1ccccc1Cl)c1ccc(Oc2ccccc2)cc1
BDBM50385204 CC1SC(c2c(C)nn(c2NC1=O)-c1ccccc1F)c1ccc(Oc2ccccc2)cc1
BDBM50385205 CC1SC(c2c(C)nn(c2NC1=O)-c1ccccc1C(F)(F)F)c1ccc(Oc2ccccc2)cc1
BDBM50385206 CC(C)c1ccccc1-n1nc(C)c2[C@H](S[C@@H](C)C(=O)Nc12)c1ccc(Oc2ccccc2)cc1 |r|
BDBM50385207 CCCc1ccccc1-n1nc(C)c2[C@H](S[C@@H](C)C(=O)Nc12)c1ccc(Oc2ccccc2)cc1 |r|
BDBM50385208 CCc1ccccc1-n1nc(C)c2[C@H](S[C@@H](C)C(=O)Nc12)c1ccc(Oc2ccccc2)cc1 |r|
BDBM50385209 C[C@@H]1S[C@@H](c2c(C)nn(c2NC1=O)-c1cccc(C)c1)c1ccc(Oc2ccccc2)cc1 |r|
BDBM50385210 COc1cc(ccc1Oc1ccccc1)[C@H]1S[C@@H](C)C(=O)Nc2c1c(C)nn2-c1ccccc1C |r|
BDBM50385211 COc1ccc(Oc2ccc(cc2)[C@H]2S[C@@H](C)C(=O)Nc3c2c(C)nn3-c2ccccc2C)cc1 |r|
BDBM50385212 COc1cccc(Oc2ccc(cc2)[C@H]2S[C@@H](C)C(=O)Nc3c2c(C)nn3-c2ccccc2C)c1 |r|
BDBM50385213 COc1ccccc1Oc1ccc(cc1)[C@H]1S[C@@H](C)C(=O)Nc2c1c(C)nn2-c1ccccc1C |r|
BDBM50385214 C[C@@H]1S[C@@H](c2c(C)nn(c2NC1=O)-c1ccccc1C)c1ccc(Oc2ccccc2)cc1 |r|
BDBM50385215 C[C@@H]1S[C@@H](c2c(C)nn(c2NC1=O)-c1ccccc1C)c1ccc(cc1)-c1cc2ccccc2o1 |r|
BDBM50385216 C[C@@H]1S[C@@H](c2c(C)nn(c2NC1=O)-c1ccccc1C)c1ccc(cc1)-c1ccoc1 |r|
BDBM50385217 C[C@@H]1S[C@@H](c2c(C)nn(c2NC1=O)-c1ccccc1C)c1ccc(cc1)-c1ccco1 |r|
BDBM50385218 C[C@@H]1S[C@@H](c2c(C)nn(c2NC1=O)-c1ccccc1C)c1ccc(cc1)-c1ccsc1 |r|
BDBM50385219 C[C@@H]1S[C@@H](c2c(C)nn(c2NC1=O)-c1ccccc1C)c1ccc(cc1)-c1cccs1 |r|
BDBM50385220 CCOc1cccc(c1)-c1ccc(cc1)[C@H]1S[C@@H](C)C(=O)Nc2c1c(C)nn2-c1ccccc1C |r|
BDBM50385221 COc1ccc(cc1)-c1ccc(cc1)[C@H]1S[C@@H](C)C(=O)Nc2c1c(C)nn2-c1ccccc1C |r|
BDBM50385222 COc1cccc(c1)-c1ccc(cc1)[C@H]1S[C@@H](C)C(=O)Nc2c1c(C)nn2-c1ccccc1C |r|
BDBM50385223 COc1ccccc1-c1ccc(cc1)[C@H]1S[C@@H](C)C(=O)Nc2c1c(C)nn2-c1ccccc1C |r|
BDBM50385224 C[C@@H]1S[C@@H](c2c(C)nn(c2NC1=O)-c1ccccc1C)c1ccc(cc1)-c1ccccc1 |r|
BDBM50385225 COc1ccc(C2SC(C)C(=O)Nc3c2c(C)nn3-c2ccccc2C)c(OC)c1
BDBM50385226 C[C@@H]1S[C@@H](c2c(C)nn(c2NC1=O)-c1ccc(C)cc1)c1ccc(Oc2ccccc2)cc1 |r|
BDBM50414755 CC(C)c1onc(c1COc1ccc2[nH]cc(Cc3cccc(c3)C(O)=O)c2c1)-c1c(Cl)cccc1Cl |(3.73,-24.81,;2.27,-24.34,;1.12,-25.37,;1.95,-22.83,;2.98,-21.68,;2.21,-20.35,;.7,-20.67,;.54,-22.2,;-.79,-22.59,;-.79,-24.51,;-2.13,-23.74,;-2.13,-22.2,;-3.46,-21.43,;-4.79,-22.2,;-6.26,-21.73,;-7.16,-22.97,;-6.26,-24.22,;-6.73,-25.68,;-5.7,-26.83,;-4.2,-26.51,;-3.17,-27.65,;-3.64,-29.12,;-5.15,-29.44,;-6.18,-28.29,;-5.63,-30.9,;-4.6,-32.05,;-7.13,-31.22,;-4.79,-23.74,;-3.46,-24.51,;-.44,-19.64,;-1.91,-20.12,;-2.23,-21.62,;-3.05,-19.09,;-2.73,-17.58,;-1.27,-17.1,;-.12,-18.13,;1.34,-17.66,)|
BDBM50426729 CCN(c1ccc(cc1)C(O)(C(F)(F)F)C(F)(F)F)S(=O)(=O)c1ccccc1
BDBM50428101 CCNc1nc2CCN(Cc2c(n1)C(N)=O)C(=O)CCc1ccc(OC(F)(F)F)cc1
BDBM50423620 C[C@H](CCCO)[C@H]1CC[C@H]2[C@@H]3[C@@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C |r|
BDBM50436141 CCC[C@@H]1S[C@@H](c2c(C)nn(c2NC1=O)-c1ccccc1C)c1ccc(Oc2ccccc2)cc1 |r|
BDBM50436142 CCC1SC(c2c(C)nn(c2NC1=O)-c1ccccc1C)c1ccc(Oc2ccccc2)cc1
BDBM50436143 Cc1nn(c2NC(=O)CS[C@H](c12)c1ccc(Oc2ccccc2)cc1)-c1ccccc1C |r|
BDBM50436144 CCc1nn(c2NC(=O)[C@H](C)S[C@@H](c12)c1ccc(Oc2ccccc2)cc1)-c1ccccc1C |r|
BDBM50436145 C[C@@H]1S[C@@H](c2cnn(c2NC1=O)-c1ccccc1C)c1ccc(Oc2ccccc2)cc1 |r|
BDBM50436146 C[C@H]1S[C@H](c2c(C)nn(c2NC1=O)-c1ccccc1C)c1ccc(Oc2ccccc2)cc1 |r|
BDBM50436147 C[C@H]1S[C@@H](c2c(C)nn(c2NC1=O)-c1ccccc1C)c1ccc(Oc2ccccc2)cc1 |r|
BDBM50436148 C[C@@H]1S[C@H](c2c(C)nn(c2NC1=O)-c1ccccc1C)c1ccc(Oc2ccccc2)cc1 |r|
BDBM50434773 CC1(C)CCC[C@@]2(C)[C@H]1CC[C@]1(C)[C@@H](CCc3ccoc3)[C@H](CCCO)CC[C@H]21 |r|
BDBM50434774 CC1(C)CCC[C@@]2(C)[C@H]1CC[C@]1(C)[C@@H](CCc3ccoc3)[C@@H](O)CC[C@H]21 |r|
BDBM50436200 CC[C@@H]1Cc2cc(O)ccc2C2=C1c1ccc(O)cc1C[C@H]2CC |r,c:12|
BDBM50436201 Fc1ccc(cc1)C(c1ccccc1)(c1ccccc1F)n1ccnc1
BDBM50436202 CCCCCCCCCCCCCCCC(=O)OC(CC(O)=O)C[N+](C)(C)C
BDBM50436203 CC[C@H](C)[C@H]1O[C@]2(CC[C@@H]1C)C[C@@H]1C[C@@H](C\C=C(C)\[C@@H](O[C@H]3C[C@H](OC)[C@@H](O[C@H]4C[C@H](OC)[C@@H](O)[C@H](C)O4)[C@H](C)O3)[C@@H](C)\C=C\C=C3/CO[C@@H]4[C@H](O)C(C)=C[C@@H](C(=O)O1)[C@@]34O)O2 |r,c:17,48,56,t:46|
BDBM50436204 NC(Cc1cc(O)c(O)cc1O)C(O)=O
BDBM50444333 OC(c1ccc(cc1)N(CC(F)(F)F)S(=O)(=O)c1ccc(F)cc1)(C(F)(F)F)C(F)(F)F
BDBM50444335 OC(c1ccc(cc1)N(CC(F)(F)F)S(=O)(=O)c1ccc(cc1)C#N)(C(F)(F)F)C(F)(F)F
BDBM50446723 CCc1cc(C(C)=O)c(OCC2CCCCC2)cc1OCCCCCC(C)(C)c1nnn[nH]1
BDBM50446724 CCc1cc(C(C)=O)c(OC2CCCC2)cc1OCCCCCC(C)(C)c1nnn[nH]1
BDBM50446725 CCc1cc(C(C)=O)c(OC(C)c2ccccc2)cc1OCCCCCC(C)(C)c1nnn[nH]1
BDBM50446726 CCc1cc(C(C)=O)c(OCc2cccc(C)c2)cc1OCCCCCC(C)(C)c1nnn[nH]1
BDBM50446727 CCc1cc(C(C)=O)c(OCc2ccccc2)cc1OCCCCCC(C)(C)c1nnn[nH]1
BDBM50446728 CCc1cc(C(C)=O)c(OC)cc1OCCCCCC(C)(C)c1nnn[nH]1
BDBM50446729 CCCCc1cc(C(C)=O)c(OCc2ccccc2)cc1OCCCCCC(C)(C)c1nnn[nH]1
BDBM50446730 CCCCc1cc(CC)c(O)cc1OCCCCCC(C)(C)c1nnn[nH]1
BDBM50446731 CCc1cc(CC)c(OCc2ccccc2)cc1OCCCCCC(C)(C)c1nnn[nH]1
BDBM50446732 CCCCCCc1cc(C(C)=O)c(O)cc1OCCCCCC(C)(C)c1nnn[nH]1
BDBM50446733 CCCCc1cc(C(C)=O)c(O)cc1OCCCCCC(C)(C)c1nnn[nH]1
BDBM50446734 CC(C)Cc1cc(C(C)=O)c(O)cc1OCCCCCC(C)(C)c1nnn[nH]1
BDBM50446735 CCCc1cc(C(C)=O)c(O)cc1OCCCCCC(C)(C)c1nnn[nH]1
BDBM50446716 CCc1cc(C(=O)c2ccccc2)c(O)cc1OCCCCCC(C)(C)c1nnn[nH]1
BDBM50446717 CCCCCCC(=O)c1cc(CC)c(OCCCCCC(C)(C)c2nnn[nH]2)cc1O
BDBM50446718 CCCCC(=O)c1cc(CC)c(OCCCCCC(C)(C)c2nnn[nH]2)cc1O
BDBM50446719 CCc1cc(C(=O)C(C)C)c(O)cc1OCCCCCC(C)(C)c1nnn[nH]1
BDBM50446720 CCC(=O)c1cc(CC)c(OCCCCCC(C)(C)c2nnn[nH]2)cc1O
BDBM50446721 CCc1cc(CC)c(OCCCCCC(C)(C)c2nnn[nH]2)cc1O
BDBM50446722 CCc1cc(C(C)=O)c(O)cc1OCCCCCC(C)(C)C(O)=O
BDBM50015383 Cc1ccc(cc1)-c1nn(CCCCO)cc1C(=O)Nc1ccc(C)c(c1)S(=O)(=O)N1CCOCC1
BDBM50015384 COc1cccc(Cn2cc(C(=O)Nc3ccc(C)c(c3)S(=O)(=O)N3CCOCC3)c(n2)C(C)C)c1
BDBM50015385 COc1cccc(c1)-c1nn(cc1C(=O)Nc1ccc(C)c(c1)S(=O)(=O)N1CCOCC1)C(C)C
BDBM50015386 COc1cccc(Cn2cc(C(=O)Nc3ccc(C)c(c3)S(=O)(=O)N3CCOCC3)c(n2)-c2cccc(OC)c2)c1
BDBM50015387 CC(C)n1cc(C(=O)Nc2ccc(C)c(c2)S(=O)(=O)N2CCOCC2)c(n1)-c1ccc(cc1)C(F)(F)F
BDBM50015388 COc1cccc(Cn2cc(C(=O)Nc3ccc(C)c(c3)S(=O)(=O)N3CCOCC3)c(n2)-c2ccc(cc2)C(F)(F)F)c1
BDBM50015389 COCCc1nn(cc1C(=O)Nc1ccc(C)c(c1)S(=O)(=O)N1CCOCC1)C(C)C
BDBM50015390 COCCc1nn(Cc2cccc(OC)c2)cc1C(=O)Nc1ccc(C)c(c1)S(=O)(=O)N1CCOCC1
BDBM50015391 CC(C)n1cc(C(=O)N(C)c2ccc(C)c(c2)S(=O)(=O)N2CCOCC2)c(n1)-c1ccc(C)cc1
BDBM50015392 COc1cccc(Cn2cc(C(=O)N(C)c3ccc(C)c(c3)S(=O)(=O)N3CCOCC3)c(n2)C(C)C)c1
BDBM50015393 COc1cccc(Cn2cc(C(=O)N(C)c3ccc(C)c(c3)S(=O)(=O)N3CCOCC3)c(n2)-c2cccc(OC)c2)c1
BDBM50015394 CC(C)n1cc(CNc2ccc(C)c(c2)S(=O)(=O)N2CCOCC2)c(n1)-c1ccc(C)cc1
BDBM50015395 COc1cccc(Cn2cc(CNc3ccc(C)c(c3)S(=O)(=O)N3CCOCC3)c(n2)C(C)C)c1
BDBM50015396 Cc1nn(c(C)c1C(=O)Nc1ccc(C)c(c1)S(=O)(=O)N1CCOCC1)-c1ccccc1
BDBM50015397 Fc1ccc(NC(=O)c2cnn(c2)-c2ccccc2)cc1S(=O)(=O)N1CCOCC1
BDBM50015398 Cc1ccc(NC(=O)c2cnn(c2C(F)(F)F)-c2ccccc2)cc1S(=O)(=O)N1CCOCC1
BDBM50015399 O=C(Nc1cccc(c1)S(=O)(=O)N1CCOCC1)c1cn(nc1-c1cccnc1)-c1ccccc1
BDBM50015400 Cc1c(cnn1-c1cccc(C)c1)C(=O)Nc1cccc(c1)S(=O)(=O)N1CCOCC1
BDBM50015401 Cc1ccc(cc1)-c1nn(cc1C(=O)Nc1ccc(C)c(c1)S(=O)(=O)N1CCOCC1)-c1ccccc1
BDBM50015402 Cc1ccc(cc1)-c1nn(cc1C(=O)Nc1ccc(C)c(c1)S(=O)(=O)N1CCOCC1)-c1ccc(F)cc1
BDBM50015403 Cc1ccc(cc1)-c1nn(cc1C(=O)Nc1ccc(C)c(c1)S(=O)(=O)N1CCOCC1)-c1cccc(Cl)c1
BDBM50015405 Cc1ccc(cc1)-c1nn(cc1C(=O)Nc1ccc(C)c(c1)S(=O)(=O)N1CCOCC1)-c1ccc(Cl)cc1Cl
BDBM50015412 Cc1ccc(cc1)-c1nn(cc1C(=O)Nc1ccc(C)c(c1)S(=O)(=O)N1CCOCC1)-c1cccc(c1)C(F)(F)F
BDBM50015414 Cc1ccc(cc1)-c1nn(cc1C(=O)Nc1ccc(C)c(c1)S(=O)(=O)N1CCOCC1)-c1nc2ccccc2s1
BDBM50015417 CC(C)n1cc(C(=O)Nc2ccc(C)c(c2)S(=O)(=O)N2CCOCC2)c(n1)-c1ccc(C)cc1
BDBM50015418 CCCCn1cc(C(=O)Nc2ccc(C)c(c2)S(=O)(=O)N2CCOCC2)c(n1)-c1ccc(C)cc1
BDBM50011369 [Na+].[H][C@@]1(CC[C@@]2([H])[C@]3([H])[C@H](O)[C@H](CC)[C@]4([H])C[C@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CCCOS([O-])(=O)=O |r|
BDBM50015419 Cc1ccc(cc1)-c1nn(Cc2ccc3ccccc3c2)cc1C(=O)Nc1ccc(C)c(c1)S(=O)(=O)N1CCOCC1
BDBM50015420 Cc1ccc(cc1)-c1nn(CC2CC2)cc1C(=O)Nc1ccc(C)c(c1)S(=O)(=O)N1CCOCC1
BDBM50015421 COc1cccc(Cn2cc(C(=O)Nc3ccc(C)c(c3)S(=O)(=O)N3CCOCC3)c(n2)-c2ccc(C)cc2)c1
BDBM50011809 OC(=O)CCCCCNC(=O)c1ccccc1NC(=O)c1ccc2ccccc2c1
BDBM50011813 OC(=O)Cc1ccc(NC(=O)c2ccccc2NC(=O)c2ccc3ccccc3c2)cc1
BDBM50011815 CC(C)(C)c1ccc(cc1)C(=O)Nc1ccccc1C(=O)NCCCC(O)=O
BDBM50011817 OC(=O)CCCNC(=O)c1ccccc1NC(=O)\C=C\c1ccccc1
BDBM50011819 OC(=O)CCCCNC(=O)c1ccccc1NC(=O)c1ccc2ccccc2c1
BDBM50011810 OC(=O)c1ccc(NC(=O)c2ccccc2NC(=O)c2ccc3ccccc3c2)cc1
BDBM50011811 OC(=O)c1cccc(NC(=O)c2ccccc2NC(=O)c2ccc3ccccc3c2)c1
BDBM50011812 OC(=O)c1ccc(CNC(=O)c2ccccc2NC(=O)c2ccc3ccccc3c2)cc1
BDBM50011814 CCc1ccc(cc1)C(=O)Nc1ccccc1C(=O)NCCCC(O)=O
BDBM50011816 OC(=O)CCCNC(=O)c1ccccc1NC(=O)c1ccc2ccccc2c1
BDBM50011818 COC(=O)CCCNC(=O)c1ccccc1NC(=O)c1ccc2ccccc2c1
BDBM50015382 Cc1ccc(cc1)-c1nn(Cc2cccc(c2)C(F)(F)F)cc1C(=O)Nc1ccc(C)c(c1)S(=O)(=O)N1CCOCC1
BDBM50012130 CC(C)CN(Cc1ccc(cc1)-c1ccc(cc1)S(C)(=O)=O)S(=O)(=O)Cc1ccccc1
BDBM50028479 COc1ccc(NC(=O)c2ccc(cc2)C(C)(C)C)c(c1)C(=O)Nc1cccc(c1)C(O)=O
BDBM50028447 COc1ccc(C(=O)Nc2cccc(c2)C(O)=O)c(NC(=O)c2ccc(cc2)C(C)(C)C)c1
BDBM50028449 OC(=O)c1cccc(NC(=O)c2ccccc2NC(=O)c2ccc(cc2)C(F)(F)F)c1
BDBM50028450 OC(=O)c1cccc(NC(=O)c2ccccc2NC(=O)c2ccc(Br)cc2)c1
BDBM50028451 OC(=O)c1cccc(NC(=O)c2ccccc2NC(=O)c2ccc3OCOc3c2)c1
BDBM50028453 OC(=O)c1cccc(NC(=O)c2ccccc2NC(=O)c2ccc(c(F)c2)C(F)(F)F)c1
BDBM50028454 OC(=O)c1cccc(NC(=O)c2ccccc2NC(=O)\C=C\c2ccccc2)c1
BDBM50028455 CC(=O)c1cccc(NC(=O)c2ccccc2NC(=O)c2ccc(cc2)C(C)(C)C)c1
BDBM50028458 CSc1cccc(NC(=O)c2ccccc2NC(=O)c2ccc(cc2)C(C)(C)C)c1
BDBM50028459 CC(C)(C)c1ccc(cc1)C(=O)Nc1ccccc1C(=O)Nc1cccc(c1)-c1nnn[nH]1
BDBM50028461 COc1ccc(NC(=O)c2ccccc2NC(=O)c2ccc(cc2)C(C)(C)C)cc1OC
BDBM50028462 CC(C)(C)c1ccc(cc1)C(=O)Nc1ccccc1C(=O)Nc1cccc(CC(O)=O)c1
BDBM50028463 CC(C)(C)c1ccc(cc1)C(=O)Nc1ccccc1C(=O)Nc1cccc(CCC(O)=O)c1
BDBM50028465 COc1ccc(cc1NC(=O)c1ccccc1NC(=O)c1ccc(cc1)C(C)(C)C)C(O)=O
BDBM50028466 CC(C)(C)c1ccc(cc1)C(=O)Nc1ccccc1C(=O)Nc1cc(ccc1F)C(O)=O
BDBM50028467 CC(C)(C)c1ccc(cc1)C(=O)Nc1ccccc1C(=O)Nc1cc(ccc1Cl)C(O)=O
BDBM50028468 Cc1ccc(NC(=O)c2ccccc2NC(=O)c2ccc(cc2)C(C)(C)C)cc1C(O)=O
BDBM50028469 COc1ccc(NC(=O)c2ccccc2NC(=O)c2ccc(cc2)C(C)(C)C)cc1C(O)=O
BDBM50028470 CC(C)(C)c1ccc(cc1)C(=O)Nc1ccccc1C(=O)Nc1ccc(Cl)c(c1)C(O)=O
BDBM50028471 CC(C)(C)c1ccc(cc1)C(=O)Nc1ccccc1C(=O)Nc1ccc(Br)c(c1)C(O)=O
BDBM50028472 CC(C)(C)c1ccc(cc1)C(=O)Nc1cc(Cl)ccc1C(=O)Nc1cccc(c1)C(O)=O
BDBM50028474 CC(C)(C)c1ccc(cc1)C(=O)Nc1cc(Br)ccc1C(=O)Nc1cccc(c1)C(O)=O
BDBM50028475 Cc1ccc(NC(=O)c2ccc(Cl)cc2NC(=O)c2ccc(cc2)C(C)(C)C)cc1C(O)=O
BDBM50028477 Cc1ccc(C(=O)Nc2ccc(C)c(c2)C(O)=O)c(NC(=O)c2ccc(cc2)C(C)(C)C)c1
BDBM50028478 CC(C)(C)c1ccc(cc1)C(=O)Nc1ccc(Cl)cc1C(=O)Nc1cccc(c1)C(O)=O
BDBM50041461 CC(C)n1cnc(COc2c(Cl)cccc2Cl)c1COc1ccc(\C=C\c2cccc(c2)C(O)=O)c(Cl)c1
BDBM50041462 CC(C)c1occ(COc2c(Cl)cccc2Cl)c1COc1ccc(\C=C\c2cccc(c2)C(O)=O)c(Cl)c1
BDBM50041463 CC(C)c1oc(=O)n(CCc2c(Cl)cccc2Cl)c1COc1ccc(\C=C\c2cccc(c2)C(O)=O)c(Cl)c1
BDBM50041472 CC(C)c1oc(=O)n(Cc2c(Cl)cccc2Cl)c1COc1ccc(\C=C\c2cccc(c2)C(O)=O)c(Cl)c1
BDBM50041475 CC(C)n1nnc(c1COc1ccc(\C=C\c2cccc(c2)C(O)=O)c(Cl)c1)-c1c(Cl)cccc1Cl |(16.5,-24.84,;16.19,-26.35,;14.73,-26.83,;17.35,-27.37,;18.85,-27.04,;19.63,-28.37,;18.6,-29.52,;17.2,-28.89,;15.87,-29.67,;14.54,-28.91,;13.21,-29.69,;11.86,-28.92,;10.54,-29.7,;10.55,-31.23,;9.22,-32,;7.88,-31.24,;6.55,-32.01,;6.56,-33.56,;5.22,-34.34,;3.88,-33.57,;3.89,-32.02,;5.21,-31.25,;2.55,-31.25,;2.55,-29.71,;1.21,-32.02,;11.88,-32,;11.88,-33.54,;13.21,-31.23,;18.58,-31.06,;17.23,-31.8,;15.91,-31,;17.2,-33.34,;18.52,-34.13,;19.87,-33.38,;19.89,-31.84,;21.24,-31.09,)|
BDBM50041476 CC(C)c1nnn(c1COc1ccc(\C=C\c2cccc(c2)C(O)=O)c(Cl)c1)-c1c(Cl)cccc1Cl |(39.02,-25.41,;38.71,-26.92,;37.25,-27.41,;39.86,-27.94,;41.37,-27.61,;42.14,-28.94,;41.12,-30.09,;39.72,-29.47,;38.39,-30.25,;37.05,-29.48,;35.72,-30.26,;34.38,-29.49,;33.05,-30.27,;33.06,-31.8,;31.73,-32.58,;30.4,-31.81,;29.07,-32.59,;29.07,-34.14,;27.73,-34.91,;26.4,-34.14,;26.4,-32.6,;27.73,-31.82,;25.06,-31.83,;25.06,-30.29,;23.73,-32.6,;34.4,-32.57,;34.4,-34.11,;35.73,-31.8,;41.09,-31.63,;39.74,-32.37,;38.42,-31.58,;39.72,-33.91,;41.04,-34.71,;42.39,-33.95,;42.41,-32.41,;43.75,-31.66,)|
BDBM50041477 CC(C)c1cnn(c1COc1ccc(\C=C\c2cccc(c2)C(O)=O)c(Cl)c1)-c1c(Cl)cccc1Cl |(62.92,-25.95,;62.61,-27.46,;61.15,-27.95,;63.77,-28.48,;65.27,-28.15,;66.05,-29.48,;65.02,-30.63,;63.62,-30.01,;62.29,-30.78,;60.96,-30.02,;59.63,-30.8,;58.28,-30.03,;56.96,-30.81,;56.97,-32.34,;55.64,-33.12,;54.3,-32.35,;52.97,-33.13,;52.97,-34.68,;51.64,-35.45,;50.3,-34.68,;50.3,-33.13,;51.63,-32.36,;48.97,-32.37,;48.97,-30.83,;47.63,-33.14,;58.3,-33.11,;58.3,-34.65,;59.63,-32.34,;65,-32.17,;63.65,-32.91,;62.33,-32.12,;63.62,-34.45,;64.94,-35.24,;66.29,-34.49,;66.31,-32.95,;67.65,-32.2,)|
BDBM50044160 Fc1ccc(cc1)S(=O)(=O)N1CCCc2ccc(NC(=O)c3c(F)cccc3Cl)cc12
BDBM50094261 COc1ccc(cc1)-c1nc(no1)-c1ccccc1
BDBM50094266 Brc1ccc(cc1)-c1nc(no1)-c1ccccc1
BDBM50050083 CC(C)CN(Cc1ccc(cc1)N1CCN(CC1)C(C)=O)S(=O)(=O)Cc1ccccc1
BDBM50050086 CC(=O)N1CCN(CC1)c1ccc(CN(C2CCC2)S(=O)(=O)Cc2ccccc2)cc1
BDBM50050087 CC(C)N(Cc1ccc(cc1)N1CCN(CC1)C(C)=O)S(=O)(=O)Cc1ccccc1
BDBM50028448 CC(C)(C)c1ccc(cc1)C(=O)Nc1ccccc1C(=O)Nc1cccc(c1)C(O)=O
BDBM50028452 OC(=O)c1cccc(NC(=O)c2ccccc2NC(=O)c2ccc3OCCOc3c2)c1
BDBM50028456 CC(C)(C)c1ccc(cc1)C(=O)Nc1ccccc1C(=O)Nc1cccc(c1)C#N
BDBM50028457 COc1cccc(NC(=O)c2ccccc2NC(=O)c2ccc(cc2)C(C)(C)C)c1
BDBM50028460 CC(C)(C)c1ccc(cc1)C(=O)Nc1ccccc1C(=O)Nc1cccc(c1)C(N)=O
BDBM50028464 Cc1c(NC(=O)c2ccccc2NC(=O)c2ccc(cc2)C(C)(C)C)cccc1C(O)=O
BDBM50028473 Cc1ccc(C(=O)Nc2cccc(c2)C(O)=O)c(NC(=O)c2ccc(cc2)C(C)(C)C)c1
BDBM50028476 COc1ccc(C(=O)Nc2ccc(C)c(c2)C(O)=O)c(NC(=O)c2ccc(cc2)C(C)(C)C)c1
BDBM50028026 [Na+].[H][C@@]1(CC[C@@]2([H])[C@]3([H])[C@H](O)C[C@]4([H])CCCC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CCCOS([O-])(=O)=O |r|
BDBM50028027 [H][C@@]1(CC[C@@]2([H])[C@]3([H])[C@H](O)[C@H](CC)[C@]4([H])C[C@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CCO |r|
BDBM50035907 CC(C)CN(Cc1ccccc1C(F)(F)F)S(=O)(=O)c1ccc(NC2CCN(CC2)S(C)(=O)=O)cc1
BDBM50035918 CC(C)CN(c1ccc(cc1)C#N)S(=O)(=O)c1ccc(OC2CCN(CC2)S(C)(=O)=O)cc1
BDBM50041474 CC(C)c1ncn(CCc2c(Cl)cccc2Cl)c1COc1ccc(\C=C\c2cccc(c2)C(O)=O)c(Cl)c1
BDBM50035885 CC(C)CN(Cc1ccccc1C(F)(F)F)S(=O)(=O)c1ccc(OC2CCN(CC2)S(C)(=O)=O)cn1
BDBM50050117 CC(=O)N1CCN(CC1)c1ccc(CN(CC(F)(F)F)S(=O)(=O)Cc2ccccc2)cc1
BDBM50035908 CC(C)CN(c1ccccc1C(F)(F)F)S(=O)(=O)c1ccc(NC2CCN(CC2)S(C)(=O)=O)cc1
BDBM50035915 CC(C)CN(c1ccc(F)cc1)S(=O)(=O)c1ccc(OC2CCN(CC2)S(C)(=O)=O)cc1
BDBM50118082 CC(C)(C)c1cc(NC(=O)c2c(Cl)cc(NCc3cccnc3)cc2Cl)ccc1O
BDBM50118085 CNc1cc(Cl)c(C(=O)Nc2ccc(O)c(c2)C(C)(C)C)c(Cl)c1
BDBM50118101 CN(C)c1cc(Cl)c(C(=O)N(C)c2ccc(O)c(c2)C(C)(C)C)c(Cl)c1
BDBM50121938 Fc1ccc(cc1)S(=O)(=O)N1CCCc2ccc(NC(=O)c3c(F)cccc3F)cc12
BDBM50121939 Fc1ccc(cc1)S(=O)(=O)N1CCc2ccc(NC(=O)c3c(F)cccc3F)cc12
BDBM50106288 OC(=O)c1ccc(-c2nc(C(=O)c3c(Cl)cccc3C(F)(F)F)n3ccccc23)c(F)c1
BDBM50106289 OC(=O)c1ccc(-c2nc(C(=O)c3c(Cl)cccc3C(F)(F)F)n3CCCCc23)c(F)c1
BDBM50106290 OC(=O)c1ccc(-c2nc(C(=O)c3c(Cl)cccc3C3CC3)n3CCCCc23)c(F)c1
BDBM50121988 Fc1ccc(cc1)S(=O)(=O)N1CCCc2ccc(NC(=O)c3ccccc3Cl)cc12
BDBM50106285 OC(=O)c1ccc(cc1O)-c1nc(C(=O)c2c(Cl)cccc2C2CC2)n2cccnc12
BDBM50106286 OC(=O)c1ccc(cc1)-c1nc(C(=O)c2c(Cl)cccc2C(F)(F)F)n2ccccc12
BDBM50106287 OC(=O)c1ccc(cc1O)-c1nc(C(=O)c2c(Cl)cccc2C(F)(F)F)n2ccccc12
BDBM50103149 OC(=O)c1cccc(NC(=O)c2ccc(Cl)cc2NC(=O)c2ccc(cc2)C(F)(F)F)c1
BDBM50103151 OC(=O)CCc1cccc(NC(=O)c2ccccc2NC(=O)c2ccc(cc2)C(F)(F)F)c1
BDBM50103152 OC(=O)Cc1cccc(NC(=O)c2ccccc2NC(=O)c2ccc(cc2)-c2ccccc2)c1
BDBM50103179 OC(=O)Cc1cccc(NC(=O)c2ccccc2NC(=O)c2ccc(SC(F)(F)F)cc2)c1
BDBM50103180 OC(=O)Cc1cccc(NC(=O)c2ccccc2NC(=O)c2ccc3ccccc3c2)c1
BDBM50090086 CC(=O)N1CCN(CC1)c1ccc(CN(C2CCC2)S(=O)(=O)Cc2ccccc2F)c(F)c1
BDBM50118022 CC(C)(C)c1cc(OC(=O)c2ccc(cc2Cl)[N+]([O-])=O)ccc1O
BDBM50118087 CC(C)(C)c1cc(NC(=O)c2c(Cl)cc(NC3CCCC3)cc2Cl)ccc1O
BDBM50103148 OC(=O)c1cccc(NC(=O)c2cc(Cl)ccc2NC(=O)c2ccc(cc2)C(F)(F)F)c1
BDBM50103150 OC(=O)Cc1cccc(NC(=O)c2ccccc2NC(=O)c2ccc(cc2)C(F)(F)F)c1
BDBM50103178 CSc1ccc(cc1)C(=O)Nc1ccccc1C(=O)Nc1cccc(CC(O)=O)c1
BDBM50094262 CCN(CC)c1ccc2cc(-c3nc(no3)-c3ccccc3)c(=O)oc2c1
BDBM50094263 Cc1ccccc1-c1noc(n1)-c1cccc(c1)C(O)=O
BDBM50094264 Cc1ccccc1-c1noc(n1)-c1ccc(cc1)C(O)=O
BDBM50094265 Cc1ccc(cc1)-c1noc(n1)-c1ccc(Cl)cc1
BDBM50094267 COc1ccc(cc1)-c1nc(no1)-c1ccccc1C
BDBM50094268 COc1ccc(cc1)-c1nc(no1)-c1cccc(c1)C(F)(F)F
BDBM50094269 c1ccc(cc1)-c1noc(n1)-c1ccccc1
BDBM50118012 CC(C)(C)c1cc(OC(=O)c2ccc(cc2)[N+]([O-])=O)ccc1O
BDBM50118015 CC(C)(C)c1cc(OC(=O)c2ccccc2)ccc1O
BDBM50118016 CC(C)(C)c1cc(OC(=O)c2ccc(Cl)cc2)ccc1O
BDBM50118018 CC(C)(C)c1cc(OC(=O)c2ccco2)ccc1O
BDBM50118021 CC(C)(C)c1cc(OC(=O)c2ccc(Cl)cc2Cl)ccc1O
BDBM50118023 CC(C)(C)c1cc(OC(=O)c2c(Cl)cc(cc2Cl)[N+]([O-])=O)ccc1O
BDBM50118024 CC(C)(C)c1cc(OC(=O)c2ccc(N)cc2)ccc1O
BDBM50118026 CC(C)(C)c1cc(OC(=O)c2c(Cl)cc(N)cc2Cl)ccc1O
BDBM50118070 [H][C@@]12CC(=O)\C(=C/C)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CCC2=CC(=O)CC[C@]12C |r,t:20|
BDBM50118076 CCc1cc(NC(=O)c2ccc(Cl)cc2Cl)ccc1O
BDBM50118080 CC(=O)Oc1ccc(NC(=O)c2ccc(Cl)cc2Cl)cc1C(C)(C)C
BDBM50118083 CC(C)(C)c1cc(NC(=O)c2c(Cl)cc(NCc3ccncc3)cc2Cl)ccc1O
BDBM50118089 CN(C)c1cc(Cl)c(C(=O)Nc2ccc(O)c(c2)C(C)(C)C)c(Cl)c1
BDBM50118091 CC(C)(C)c1cc(NC(=O)c2c(Cl)cc(cc2Cl)N2CCCCC2)ccc1O
BDBM50118092 CC(C)(C)c1cc(NC(=O)c2c(Cl)cc(cc2Cl)N2CCNCC2)ccc1O
BDBM50118104 CN(C)c1cc(Cl)c(C(=O)N(C2CCCCC2)c2ccc(O)c(c2)C(C)(C)C)c(Cl)c1
BDBM50118078 COc1ccc(NC(=O)c2ccc(Cl)cc2Cl)cc1C(C)(C)C
BDBM50118013 COc1ccccc1C(=O)Oc1ccc(O)c(c1)C(C)(C)C
BDBM225914 Cc1cccc(C)c1Nc1c(nc2cccc(C)n12)-c1c(F)cccc1F |(4.66,-3.37,;4.19,-4.84,;5.22,-5.98,;4.74,-7.45,;3.23,-7.77,;2.2,-6.62,;.7,-6.94,;2.68,-5.16,;1.65,-4.01,;2.13,-2.55,;1.22,-1.3,;2.13,-.06,;3.59,-.53,;4.92,.24,;6.26,-.53,;6.26,-2.07,;4.92,-2.84,;5.4,-4.31,;3.59,-2.07,;-.32,-1.3,;-1.09,-2.64,;-.32,-3.97,;-2.63,-2.64,;-3.4,-1.3,;-2.63,.03,;-1.09,.03,;-.32,1.36,)|
BDBM225915 Fc1ccc(\C=C\C(=O)N(C2CCCCC2)C(=O)NC2CCCCC2)cc1
BDBM225916 Cc1onc(c1C(=O)N(C1CCCCC1)C1CCCCC1)-c1ccc(Cl)cc1Cl
BDBM225917 COc1ccc(-c2nc3ccccc3n2[C@@H](C2CCCCC2)C(=O)NC2CCCCC2)c(OC)c1
BDBM225918 O=C(NC1CCCCC1)[C@H](C1CCCCC1)n1c(nc2ccccc12)-c1ccc(s1)-c1ccccc1
BDBM225919 OCc1ccc(cc1)-c1nc2ccccc2n1[C@@H](C1CCCCC1)C(=O)NC1CCCCC1
BDBM225920 O=C(NC1CCCCC1)[C@H](C1CCCCC1)n1c(nc2ccccc12)-c1ccc(cc1)-c1nnn[nH]1
BDBM225997 CCOC(=O)c1ccc(CCNC(=O)c2c3CN(CCc3nn2-c2ccccc2)S(=O)(=O)c2cccs2)cc1
BDBM225998 O=C(Nc1ccccc1)c1c2CN(CCc2nn1-c1ccccc1)S(=O)(=O)c1cccs1
BDBM225999 O=C(NC1CCCC1)n1c2CN(CCc2cc1-c1ccccc1)S(=O)(=O)c1cccs1
BDBM226000 O=C(Nc1ccccc1)n1c2CN(CCc2cc1-c1ccccc1)S(=O)(=O)c1cccs1
BDBM226001 O=C(NC1CCCCC1)n1c2CN(CCc2cc1-c1ccccc1)S(=O)(=O)c1cccs1
BDBM226002 CC(=O)Nc1ccc(NC(=O)c2c3CN(CCc3nn2-c2ccccc2)S(=O)(=O)c2cccs2)cc1
BDBM226003 CN(C)C(=O)c1ccc(NC(=O)c2c3CN(CCc3nn2-c2ccccc2)S(=O)(=O)c2cccs2)cc1
BDBM50118014 Cc1ccccc1C(=O)Oc1ccc(O)c(c1)C(C)(C)C
BDBM50118017 Cc1ccc(cc1)C(=O)Oc1ccc(O)c(c1)C(C)(C)C
BDBM50118019 CC(C)(C)c1cc(OC(=O)Cc2ccccc2)ccc1O
BDBM50118020 CC(C)(C)c1cc(OC(=O)\C=C\c2ccccc2)ccc1O
BDBM50118025 CC(C)(C)c1cc(OC(=O)c2ccc(N)cc2Cl)ccc1O
BDBM50118073 CC(C)(C)c1cc(NC(=O)c2ccc(Cl)cc2Cl)ccc1O
BDBM225921 OC(=O)c1ccc(CN2C(=O)C3(CCN(CC3)S(=O)(=O)c3cccs3)c3cc(Br)ccc23)cc1
BDBM225922 Brc1ccc2N(Cc3ccc(cc3)-c3nnn[nH]3)C(=O)C3(CCN(CC3)S(=O)(=O)c3cccs3)c2c1
BDBM225923 OC(=O)c1ccc(CN2C(=O)C3(CCN(CC3)S(=O)(=O)c3ccccc3Cl)c3cc(Br)ccc23)cc1
BDBM225924 O=C(NC1CCCCC1)[C@H](C1CCCCC1)n1c(nc2ccccc12)-c1ccc(cc1)C(=O)c1ccccc1
BDBM225925 COc1ccc(-c2nc3ccccc3n2[C@@H](C2CCCCC2)C(=O)Nc2c(C)cccc2C)c(OC)c1
BDBM225926 Fc1ccccc1S(=O)(=O)N1CCc2cc(C(=O)NCc3ccccc3)n(Cc3ccccc3)c2C1
BDBM50118074 CC(C)(C)c1cc(NC(=O)c2ccc(Cl)cc2Cl)cc(c1O)C(C)(C)C
BDBM50118075 CC(C)c1cc(NC(=O)c2ccc(Cl)cc2Cl)ccc1O
BDBM50118077 Cc1cc(NC(=O)c2ccc(Cl)cc2Cl)ccc1O
BDBM50118079 CC(C)(C)c1cc(NC(=O)c2ccc(Cl)cc2Cl)ccc1OCC=C
BDBM50118081 CC(C)(C)c1cc(NC(=O)c2c(Cl)cc(N)cc2Cl)ccc1O
BDBM50118084 CC(C)(C)c1cc(NC(=O)c2c(Cl)cc(NCc3cccs3)cc2Cl)ccc1O
BDBM50118086 CCNc1cc(Cl)c(C(=O)Nc2ccc(O)c(c2)C(C)(C)C)c(Cl)c1
BDBM50118088 CC(C)(C)c1cc(NC(=O)c2c(Cl)cc(NC3CCCCC3)cc2Cl)ccc1O
BDBM225927 CC(C)NC(=O)n1c2CN(CCc2cc1-c1ccccc1)S(=O)(=O)c1cccs1
BDBM225928 CCOC(=O)c1ccc(NC(=O)c2c3CN(CCc3nn2-c2ccccc2)S(=O)(=O)c2cccs2)cc1
BDBM225929 CC(=O)Nc1cccc(c1)N([C@@H](C1CCCCC1)C(=O)NC1CCCCC1)C(=O)c1ccc(Cl)cc1
BDBM225930 Fc1cc2nc(-c3ccc(Cl)cc3)n([C@@H]([C@@H]3CCCCO3)C(=O)NC3CCCCC3)c2cc1Cl
BDBM225931 Cc1cc(Cl)ccc1OCc1nc2ccc(F)cc2n1[C@@H](C1CCCCC1)C(=O)NC1CCCCC1
BDBM225932 Fc1cc2nc(-c3ccc(Cl)cc3)n([C@@H](C3CCCCC3)C(=O)Nc3ccccc3)c2cc1F
BDBM225933 CO[C@@H](c1nc2cc(F)c(F)cc2n1[C@@H](C1CCCCC1)C(=O)NC1CCCCC1)c1ccccc1
BDBM226004 CC(C)NC(=O)n1c2CN(CCc2cc1-c1ccccn1)S(=O)(=O)c1cccs1
BDBM226005 CNC(=O)c1ccc(NC(=O)c2c3CN(CCc3nn2-c2ccccc2)S(=O)(=O)c2cccs2)cc1
BDBM226006 COc1ccc(NC(=O)c2c3CN(CCc3nn2-c2ccccc2)S(=O)(=O)c2cccs2)cc1
BDBM226007 NS(=O)(=O)c1ccc(NC(=O)c2c3CN(CCc3nn2-c2ccccc2)S(=O)(=O)c2cccs2)cc1
BDBM226008 OC(=O)c1ccc(NC(=O)c2c3CN(CCc3nn2-c2ccccc2)S(=O)(=O)c2cccs2)cc1
BDBM226009 O=C(Nc1ccc(cc1)C(=O)N1CCOCC1)c1c2CN(CCc2nn1-c1ccccc1)S(=O)(=O)c1cccs1
BDBM50118090 CN(C1CCCCC1)c1cc(Cl)c(C(=O)Nc2ccc(O)c(c2)C(C)(C)C)c(Cl)c1
BDBM50118102 CN(C)c1cc(Cl)c(C(=O)N(Cc2cccnc2)c2ccc(O)c(c2)C(C)(C)C)c(Cl)c1
BDBM50118103 CN(C)c1cc(Cl)c(C(=O)N(CC2CCCCC2)c2ccc(O)c(c2)C(C)(C)C)c(Cl)c1
BDBM225934 CC(C)c1onc(c1C(=O)N[C@H](C)c1ccc2ccccc2c1)-c1ccccc1Cl
BDBM225935 Fc1ccccc1NC(=O)[C@H](C1CCCCC1)n1c(nc2cc(F)c(F)cc12)-c1ccc(Cl)cc1
BDBM225936 Fc1cc2nc(-c3ccc(Cl)cc3)n([C@@H](C3CCCCC3)C(=O)Nc3ccccc3C#N)c2cc1F
BDBM225937 Fc1cc2nc(-c3ccc(nc3)-n3cccn3)n([C@@H](C3CCCCC3)C(=O)NC3CCCCC3)c2cc1F
BDBM225938 OC(=O)c1ccc(OC[C@H](C2CCCCC2)n2c(nc3cc(F)c(F)cc23)-c2ccc(Cl)cc2)c(F)c1
BDBM225939 OC(=O)c1ccc(OC[C@H](C2CCCCC2)n2c(nc3cc(F)c(F)cc23)-c2ccc(Cl)cc2)cc1
BDBM225940 COc1ccc(-c2nc3cc(F)ccc3n2[C@@H](C2CCCCC2)C(=O)N[C@H]2CC[C@@H](CC2)C(O)=O)c(OC)n1 |wU:16.17,29.35,wD:26.28,(-5.71,.03,;-4.94,-1.3,;-3.4,-1.3,;-2.63,-2.64,;-1.09,-2.64,;-.32,-1.3,;1.22,-1.3,;2.13,-.06,;3.59,-.53,;4.92,.24,;6.26,-.53,;7.59,.24,;6.26,-2.07,;4.92,-2.84,;3.59,-2.07,;2.13,-2.55,;1.65,-4.01,;2.68,-5.16,;4.19,-4.84,;5.22,-5.98,;4.74,-7.45,;3.23,-7.77,;2.2,-6.62,;.14,-4.33,;-.89,-3.19,;-.33,-5.8,;-1.84,-6.12,;-2.87,-4.97,;-4.38,-5.29,;-4.85,-6.76,;-3.82,-7.9,;-2.31,-7.58,;-6.36,-7.08,;-7.39,-5.93,;-6.83,-8.54,;-1.09,.03,;-.32,1.36,;-1.09,2.7,;-2.63,.03,)|
BDBM225941 COc1ccc(-c2nc3cc(F)c(F)cc3n2[C@@H](C2CCCCC2)C(=O)N[C@H]2CC[C@H](O)CC2)c(OC)n1 |wU:17.18,27.29,wD:30.33,(-8.1,.03,;-7.33,-1.3,;-5.79,-1.3,;-5.02,-2.64,;-3.48,-2.64,;-2.71,-1.3,;-1.17,-1.3,;-.27,-.06,;1.2,-.53,;2.53,.24,;3.86,-.53,;5.2,.24,;3.86,-2.07,;5.2,-2.84,;2.53,-2.84,;1.2,-2.07,;-.27,-2.55,;-.74,-4.01,;.29,-5.16,;1.79,-4.84,;2.82,-5.98,;2.35,-7.45,;.84,-7.77,;-.19,-6.62,;-2.25,-4.33,;-3.28,-3.19,;-2.73,-5.8,;-4.23,-6.12,;-4.71,-7.58,;-6.21,-7.9,;-7.25,-6.76,;-8.75,-7.08,;-6.77,-5.29,;-5.26,-4.97,;-3.48,.03,;-2.71,1.36,;-3.48,2.7,;-5.02,.03,)|
BDBM225942 CO[C@@H](c1nc2cc(F)c(F)cc2n1[C@@H](C1CCCCC1)C(=O)N[C@H]1CC[C@H](O)CC1)c1ccccc1 |wU:24.26,wD:2.1,14.15,27.30,(-2.63,-2.64,;-1.09,-2.64,;-.32,-1.3,;1.22,-1.3,;2.13,-.06,;3.59,-.53,;4.92,.24,;6.26,-.53,;7.59,.24,;6.26,-2.07,;7.59,-2.84,;4.92,-2.84,;3.59,-2.07,;2.13,-2.55,;1.65,-4.01,;.14,-4.33,;-.33,-5.8,;-1.84,-6.12,;-2.87,-4.97,;-2.39,-3.51,;-.89,-3.19,;2.68,-5.16,;4.19,-4.84,;2.2,-6.62,;3.23,-7.77,;4.74,-7.45,;5.77,-8.59,;5.3,-10.06,;6.33,-11.2,;3.79,-10.38,;2.76,-9.23,;-1.09,.03,;-2.63,.03,;-3.4,1.36,;-2.63,2.7,;-1.09,2.7,;-.32,1.36,)|
BDBM225943 CC(C)c1onc(c1COc1ccc(c(C)c1)-c1ccc2c(cn(C)c2c1)C(O)=O)-c1c(Cl)c[n+]([O-])cc1Cl |(11.81,8.78,;13.28,9.25,;13.6,10.76,;14.42,8.22,;15.93,8.54,;16.7,7.21,;15.67,6.07,;14.26,6.69,;12.93,5.92,;11.59,6.69,;10.26,5.92,;10.26,4.38,;8.92,3.61,;7.59,4.38,;7.59,5.92,;6.26,6.69,;8.92,6.69,;6.26,3.61,;6.26,2.07,;4.92,1.3,;3.59,2.07,;2.13,1.6,;1.22,2.84,;2.13,4.09,;1.65,5.55,;3.59,3.61,;4.92,4.38,;1.65,.13,;2.68,-1.01,;.14,-.19,;15.99,4.56,;17.45,4.08,;18.6,5.11,;17.77,2.58,;16.63,1.55,;16.95,.04,;15.16,2.02,;14.84,3.53,;13.38,4.01,)|
BDBM225944 C[C@H](CCC(=O)Nc1cc(cc(c1)C(O)=O)C(O)=O)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
BDBM225945 OS(=O)(=O)O[C@H]1CC[C@@H](CC1)NC(=O)[C@H](C1CCCCC1)n1c(nc2cc(F)c(F)cc12)-c1ccc(Cl)cc1 |wU:5.4,14.22,wD:8.11,(-8.64,-4.9,;-9.78,-5.93,;-10.81,-4.79,;-10.93,-6.96,;-8.75,-7.08,;-7.25,-6.76,;-6.77,-5.29,;-5.26,-4.97,;-4.23,-6.12,;-4.71,-7.58,;-6.21,-7.9,;-2.73,-5.8,;-2.25,-4.33,;-3.28,-3.19,;-.74,-4.01,;.29,-5.16,;1.79,-4.84,;2.82,-5.98,;2.35,-7.45,;.84,-7.77,;-.19,-6.62,;-.27,-2.55,;-1.17,-1.3,;-.27,-.06,;1.2,-.53,;2.53,.24,;3.86,-.53,;5.2,.24,;3.86,-2.07,;5.2,-2.84,;2.53,-2.84,;1.2,-2.07,;-2.71,-1.3,;-3.48,-2.64,;-5.02,-2.64,;-5.79,-1.3,;-7.33,-1.3,;-5.02,.03,;-3.48,.03,)|
BDBM225946 OC(=O)c1ccc(NC(=O)[C@H](C2CCCCC2)n2c(nc3cc(F)c(F)cc23)-c2ccc(cc2)-c2nccs2)cc1
BDBM225947 CNC(=O)[C@H](C1CCCCC1)n1c(nc2ccccc12)-c1ccc(OC)cc1OC
BDBM225948 COC(=O)c1ccc(CN2C(=O)C3(CCN(CC3)S(=O)(=O)c3cccs3)c3cc(Br)ccc23)cc1
BDBM225949 CCc1ccc(cc1)-c1nc2ccccc2n1[C@@H](C1CCCCC1)C(=O)NC1CCCCC1
BDBM225950 OC(=O)CCc1ccc(cc1)-c1nc2ccccc2n1[C@@H](C1CCCCC1)C(=O)NC1CCCCC1
BDBM225951 COC(=O)c1ccc(CN2C(=O)C3(CCN(CC3)S(=O)(=O)c3ccccc3Cl)c3cc(Br)ccc23)cc1
BDBM225952 COc1ccc(-c2nc3ccccc3n2[C@@H](C2CCC(F)(F)CC2)C(=O)NC2CCCCC2)c(OC)c1
BDBM225953 Fc1ccccc1S(=O)(=O)N1CCc2cc(C(=O)NCc3ccccc3)n(Cc3ccncc3)c2C1
BDBM225954 Fc1ccccc1S(=O)(=O)N1CCc2cc(C(=O)NCc3ccc(cc3)C#N)n(Cc3ccccc3)c2C1
BDBM225955 CCOC(=O)c1ccc(NC(=O)c2c3CN(CCc3nn2-c2ccc(OC(F)(F)F)cc2)S(=O)(=O)c2cccs2)cc1
BDBM225956 NC(=O)c1ccc(NC(=O)c2c3CN(CCc3nn2-c2ccccc2)S(=O)(=O)c2cccs2)cc1
BDBM225957 CCOC(=O)c1cccc(NC(=O)c2c3CN(CCc3nn2-c2ccccc2)S(=O)(=O)c2cccs2)c1
BDBM225958 CCOC(=O)Cc1ccc(NC(=O)c2c3CN(CCc3nn2-c2ccccc2)S(=O)(=O)c2cccs2)cc1
BDBM225959 CC(=O)c1ccc(NC(=O)c2c3CN(CCc3nn2-c2ccccc2)S(=O)(=O)c2cccs2)cc1
BDBM225960 Fc1cc2nc(-c3ccc(Cl)cc3)n([C@@H](C3CCCCC3)C(=O)NC3CC3)c2cc1F
BDBM225961 Cc1ccc(OCc2nc3ccc(F)cc3n2[C@@H](C2CCCCC2)C(=O)NC2CCCCC2)c(C)c1
BDBM225962 Fc1ccc2nc(COc3ccc(Cl)cc3Cl)n([C@@H](C3CCCCC3)C(=O)NC3CCCCC3)c2c1
BDBM225963 Fc1cc2nc(-c3ccc(Cl)cc3)n([C@@H](C3CCCCC3)C(=O)Nc3ccncc3)c2cc1F
BDBM225964 COc1ccc(-c2nc3cc(F)c(F)cc3n2[C@@H](C2CCCCC2)C(=O)NC2CCCCC2)c(OC)n1
BDBM225965 Fc1cc2nc(-c3ccc(Cl)cc3)n([C@@H](C3CCCCC3)C(=O)Nc3ccc(cc3)C(=O)Nc3ccccc3)c2cc1F
BDBM225966 COc1ccc(-c2nc3cc(F)c(F)cc3n2[C@@H](C2CCCCC2)C(=O)NC2CCCC2)c(OC)n1
BDBM225967 CC(=O)Nc1ccc(NC(=O)[C@H](C2CCCCC2)n2c(nc3cc(F)c(F)cc23)-c2ccc(Cl)cc2)cc1
BDBM225968 OC(=O)c1ccc(OC[C@H](C2CCCCC2)n2c(nc3cc(F)c(F)cc23)-c2ccc(Cl)cc2)c(Cl)c1
BDBM225969 Cc1cc(ccc1OC[C@H](C1CCCCC1)n1c(nc2cc(F)c(F)cc12)-c1ccc(Cl)cc1)C(O)=O
BDBM225970 OC(=O)c1ccc(NC(=O)[C@H](C2CCCCC2)n2c(nc3cc(F)c(F)cc23)-c2ccc(Cl)nc2)c(Cl)c1
BDBM225971 OC(=O)c1ccc(NC(=O)[C@H](C2CCCCC2)n2c(nc3cc(F)c(F)cc23)-c2ccc(cc2)C(O)=O)cc1
BDBM225972 CC(C)c1onc(c1COc1ccc(c(C)c1)-c1ccc2c(cn(C)c2c1)C(O)=O)-c1c(Cl)cncc1Cl |(11.81,8.78,;13.28,9.25,;13.6,10.76,;14.42,8.22,;15.93,8.54,;16.7,7.21,;15.67,6.07,;14.26,6.69,;12.93,5.92,;11.59,6.69,;10.26,5.92,;10.26,4.38,;8.92,3.61,;7.59,4.38,;7.59,5.92,;6.26,6.69,;8.92,6.69,;6.26,3.61,;6.26,2.07,;4.92,1.3,;3.59,2.07,;2.13,1.6,;1.22,2.84,;2.13,4.09,;1.65,5.55,;3.59,3.61,;4.92,4.38,;1.65,.13,;2.68,-1.01,;.14,-.19,;15.99,4.56,;17.45,4.08,;18.6,5.11,;17.77,2.58,;16.63,1.55,;15.16,2.02,;14.84,3.53,;13.38,4.01,)|
BDBM225973 COc1ccc(-c2nc3cc(F)c(F)cc3n2[C@@H](C2CCCCC2)C(=O)N[C@@H]2CC[C@H](CC(O)=O)CC2)c(OC)n1 |wD:17.18,27.29,30.33,(-5.71,.03,;-4.94,-1.3,;-3.4,-1.3,;-2.63,.03,;-1.09,.03,;-.32,-1.3,;1.22,-1.3,;2.13,-.06,;3.59,-.53,;4.92,.24,;6.26,-.53,;7.59,.24,;6.26,-2.07,;7.59,-2.84,;4.92,-2.84,;3.59,-2.07,;2.13,-2.55,;2.6,-4.01,;1.57,-5.16,;2.05,-6.62,;1.02,-7.77,;-.49,-7.45,;-.97,-5.98,;.06,-4.84,;4.11,-4.33,;5.44,-3.56,;4.58,-5.8,;6.09,-6.12,;7.12,-4.97,;8.63,-5.29,;9.1,-6.76,;10.61,-7.08,;11.09,-8.54,;12.59,-8.86,;10.05,-9.69,;8.07,-7.9,;6.57,-7.58,;-1.09,-2.64,;-.32,-3.97,;-1.09,-5.3,;-2.63,-2.64,)|
BDBM225974 OC(=O)C[C@H]1CC[C@H](CC1)NC(=O)[C@H](C1CCCCC1)n1c(nc2cc(F)c(F)cc12)-c1ccc(nc1)-n1cccn1 |wU:4.3,7.10,wD:13.21,(8.86,-12.02,;7.83,-10.88,;8.31,-9.42,;6.33,-11.2,;5.3,-10.06,;3.79,-10.38,;2.76,-9.23,;3.23,-7.77,;4.74,-7.45,;5.77,-8.59,;2.2,-6.62,;2.68,-5.16,;4.19,-4.84,;1.65,-4.01,;.14,-4.33,;-.33,-5.8,;-1.84,-6.12,;-2.87,-4.97,;-2.39,-3.51,;-.89,-3.19,;2.13,-2.55,;1.22,-1.3,;2.13,-.06,;3.59,-.53,;4.92,.24,;6.26,-.53,;7.59,.24,;6.26,-2.07,;7.59,-2.84,;4.92,-2.84,;3.59,-2.07,;-.32,-1.3,;-1.09,-2.64,;-2.63,-2.64,;-3.4,-1.3,;-2.63,.03,;-1.09,.03,;-4.94,-1.3,;-5.84,-2.55,;-7.31,-2.07,;-7.31,-.53,;-5.84,-.06,)|
BDBM225975 COc1ccc(-c2nc3cc(F)c(F)cc3n2[C@@H](C2CCCCC2)C(=O)N[C@H]2CC[C@H](CC2)C(O)=O)c(OC)n1 |wU:17.18,27.29,30.36,(-5.71,.03,;-4.94,-1.3,;-3.4,-1.3,;-2.63,.03,;-1.09,.03,;-.32,-1.3,;1.22,-1.3,;2.13,-.06,;3.59,-.53,;4.92,.24,;6.26,-.53,;7.59,.24,;6.26,-2.07,;7.59,-2.84,;4.92,-2.84,;3.59,-2.07,;2.13,-2.55,;1.65,-4.01,;2.68,-5.16,;4.19,-4.84,;5.22,-5.98,;4.74,-7.45,;3.4,-8.4,;2.37,-7.25,;.14,-4.33,;-.89,-3.19,;-.33,-5.8,;.7,-6.94,;2.2,-6.62,;3.23,-7.77,;2.76,-9.23,;1.25,-9.55,;.22,-8.41,;3.79,-10.38,;5.3,-10.06,;3.31,-11.84,;-1.09,-2.64,;-.32,-3.97,;-1.09,-5.3,;-2.63,-2.64,)|
BDBM225976 OC(=O)[C@H]1CC[C@@H](CC1)NC(=O)[C@H](C1CCCCC1)n1c(nc2cc(F)c(F)cc12)-c1ccc(nc1)-n1cccn1 |wU:3.2,wD:6.9,12.20,(7.83,-10.88,;6.33,-11.2,;5.85,-12.66,;5.3,-10.06,;3.79,-10.38,;2.76,-9.23,;3.23,-7.77,;4.74,-7.45,;5.77,-8.59,;2.2,-6.62,;2.68,-5.16,;4.19,-4.84,;1.65,-4.01,;.14,-4.33,;-.33,-5.8,;-1.84,-6.12,;-2.87,-4.97,;-2.39,-3.51,;-.89,-3.19,;2.13,-2.55,;1.22,-1.3,;2.13,-.06,;3.59,-.53,;4.92,.24,;6.26,-.53,;7.59,.24,;6.26,-2.07,;7.59,-2.84,;4.92,-2.84,;3.59,-2.07,;-.32,-1.3,;-1.09,-2.64,;-2.63,-2.64,;-3.4,-1.3,;-2.63,.03,;-1.09,.03,;-4.94,-1.3,;-5.84,-2.55,;-7.31,-2.07,;-7.31,-.53,;-5.84,-.06,)|
BDBM225977 Fc1cc2nc(-c3ccc(nc3)-n3cccn3)n([C@@H](C3CCOCC3)C(=O)NC3CCCCC3)c2cc1F
BDBM225978 OC(=O)COc1ccc(OC[C@H](C2CCCCC2)n2c(nc3cc(F)c(F)cc23)-c2ccc(Cl)cc2)cc1
BDBM225979 OC(=O)c1ccc(NC(=O)[C@H](C2CCCCCC2)n2c(nc3cc(F)c(F)cc23)-c2ccc(Cl)cc2)c(F)c1
BDBM225980 Oc1ccc(CN2C(=O)C3(CCN(CC3)S(=O)(=O)c3cccs3)c3cc(Br)ccc23)cc1
BDBM225981 OC(=O)c1ccc(CN2C(=O)C3(CCN(CC3)S(=O)(=O)c3ccccc3Br)c3cc(Br)ccc23)cc1
BDBM225982 Brc1ccc2N(Cc3ccncc3)C(=O)C3(CCN(CC3)S(=O)(=O)c3cccs3)c2c1
BDBM225983 OC(=O)c1ccc(CN2C(=O)C3(CCN(CC3)S(=O)(=O)c3ccccc3)c3cc(Br)ccc23)cc1
BDBM225984 OC(=O)c1ccc(CN2C(=O)C3(CCN(CC3)S(=O)(=O)c3cccc(Cl)c3Cl)c3cc(Br)ccc23)cc1
BDBM225985 OC(=O)c1ccc(CN2C(=O)C3(CCN(CC3)S(=O)(=O)c3c(Cl)cccc3Cl)c3cc(Br)ccc23)cc1
BDBM225986 OC(=O)c1cccc(CN2C(=O)C3(CCN(CC3)S(=O)(=O)c3cccs3)c3cc(Br)ccc23)c1
BDBM225987 OC(=O)COc1ccc(CN2C(=O)C3(CCN(CC3)S(=O)(=O)c3ccccc3Cl)c3cc(Br)ccc23)cc1
BDBM225988 Cc1c(Cl)cccc1S(=O)(=O)N1CCC2(CC1)C(=O)N(Cc1ccc(cc1)C(O)=O)c1ccc(Br)cc21
BDBM225989 OC(=O)c1ccc(CN2C(=O)C3(CCN(CC3)S(=O)(=O)c3cccc(Cl)c3F)c3cc(Br)ccc23)cc1
BDBM225990 OC(=O)c1ccc(CN2C(=O)C3(CCN(CC3)S(=O)(=O)c3cc(Cl)ccc3Cl)c3cc(Br)ccc23)cc1
BDBM225913 COc1ccc(cc1OC)N(CC(=O)NC(C(C)C)C(C)C)S(=O)(=O)c1ccc(C)cc1
BDBM225991 OC(=O)c1ccc(CN2C(=O)C3(CCN(CC3)S(=O)(=O)c3ccccc3F)c3cc(Br)ccc23)cc1
BDBM225992 Cc1ccccc1S(=O)(=O)N1CCC2(CC1)C(=O)N(Cc1ccc(cc1)C(O)=O)c1ccc(Br)cc21
BDBM225993 CS(=O)(=O)c1ccccc1S(=O)(=O)N1CCC2(CC1)C(=O)N(Cc1ccc(cc1)C(O)=O)c1ccc(Br)cc21
BDBM225994 OC(=O)COc1ccc(CN2C(=O)C3(CCN(CC3)S(=O)(=O)c3cccs3)c3cc(Br)ccc23)cc1
BDBM225995 OC(=O)c1ccc(CN2C(=O)C3(CCN(CC3)S(=O)(=O)c3ccccc3C(F)(F)F)c3cc(Br)ccc23)cc1
BDBM225996 OC(=O)c1ccc(CN2C(=O)C3(CCN(CC3)S(=O)(=O)c3ccc(Cl)cc3)c3cc(Br)ccc23)cc1
BDBM50152147 C[Si](C)(O)c1ccc(cc1)N(CC(F)(F)F)S(=O)(=O)c1ccccc1
BDBM50153594 CC(C)C[C@H]1C[C@H](C1)c1nnc([C@H]2CN(C[C@@H]2C(=O)Nc2ccc(C)cc2C)C(C)=O)n1C1CC1 |r,wU:4.3,6.8,12.12,wD:16.18,(2.36,7.33,;2.68,6.14,;1.81,5.27,;4.17,5.74,;4.56,4.26,;5.9,3.48,;5.11,2.21,;3.79,2.92,;5.62,.75,;7.1,.32,;7.14,-1.22,;5.7,-1.71,;5.38,-3.22,;6.42,-4.36,;5.65,-5.7,;4.14,-5.38,;4,-3.86,;2.66,-3.08,;2.67,-1.85,;1.33,-3.85,;-.01,-3.08,;0,-1.54,;-1.33,-.76,;-2.67,-1.53,;-3.73,-.91,;-2.67,-3.07,;-1.34,-3.84,;-1.35,-5.07,;6.27,-7.1,;5.55,-8.1,;7.5,-7.23,;4.75,-.52,;3.21,-.57,;1.93,-1.26,;2.03,.28,)|
BDBM50156370 COc1ccc(cc1OC)C(C)(C)c1cnc(SCCOc2ccc(cc2)-n2ccnc2)n1-c1ccc(F)cc1
BDBM50176956 [H][C@]1(NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](CCC(N)=O)N(C)C(=O)[C@@H](NC(=O)[C@@H](CS(O)(=O)=O)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](NC(=O)[C@H](NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2ccc(Br)cc2)NC(=O)[C@@H](C)NC=O)C(C)C)C(C)C)[C@@H](C)OC(=O)CN(C)C(=O)[C@H](CC(N)=O)NC1=O)[C@@H](C)O |r|
BDBM50189886 CC(C)c1onc(c1COc1ccc(\C=C\c2cccc(c2)C(=O)NNC(=S)Nc2ccc(c(c2)C(O)=O)-c2c3ccc(O)cc3oc3cc(=O)ccc23)c(Cl)c1)-c1c(Cl)cccc1Cl |(13.5,-6.25,;12.87,-4.85,;13.77,-3.6,;11.34,-4.69,;10.56,-3.36,;9.06,-3.69,;8.9,-5.22,;10.31,-5.84,;10.64,-7.35,;12.11,-7.82,;12.43,-9.32,;13.89,-9.78,;14.22,-11.28,;13.08,-12.33,;13.41,-13.83,;14.88,-14.3,;15.2,-15.8,;14.07,-16.84,;14.39,-18.34,;15.86,-18.81,;17,-17.76,;16.67,-16.26,;18.48,-18.22,;19.61,-17.18,;18.81,-19.73,;20.28,-20.19,;21.41,-19.15,;21.08,-17.65,;22.88,-19.61,;24.02,-18.57,;23.68,-17.08,;24.81,-16.03,;26.28,-16.5,;26.62,-18,;25.48,-19.04,;28.09,-18.47,;28.42,-19.97,;29.63,-18.47,;27.41,-15.46,;27.07,-13.96,;25.61,-13.49,;25.28,-11.99,;26.42,-10.95,;26.1,-9.44,;27.89,-11.42,;28.22,-12.92,;29.68,-13.38,;30.01,-14.89,;31.47,-15.35,;31.79,-16.85,;33.25,-17.32,;30.65,-17.88,;29.2,-17.41,;28.88,-15.92,;11.61,-11.85,;10.47,-12.89,;11.29,-10.35,;7.57,-5.99,;6.23,-5.23,;6.23,-3.69,;4.91,-6,;4.9,-7.54,;6.24,-8.31,;7.58,-7.54,;8.91,-8.31,)|
BDBM50185721 OC(=O)c1cccc(c1)[C@H]1C[C@@](O)(C1)c1ccc(OCc2c(onc2-c2c(Cl)cccc2Cl)C2CC2)cc1Cl |r,wU:9.9,wD:11.15,(7.33,5.1,;6.4,4.3,;5.24,4.71,;6.68,2.79,;8.14,2.27,;8.42,.76,;7.25,-.24,;5.81,.27,;5.51,1.78,;4.47,-.5,;4.07,-1.99,;2.67,-1.54,;2.67,-2.77,;2.99,-.1,;1.33,-.77,;,-1.54,;-1.33,-.77,;-1.33,.77,;-2.67,1.54,;-4,.77,;-5.34,1.53,;-5.48,3.05,;-6.99,3.37,;-7.76,2.04,;-6.73,.9,;-7.04,-.61,;-8.54,-.98,;-9.39,-.09,;-8.97,-2.45,;-7.9,-3.57,;-6.41,-3.2,;-5.98,-1.72,;-4.78,-1.43,;-4.33,4.08,;-2.93,4.46,;-4.05,5.51,;,1.54,;1.33,.77,;2.4,1.39,)|
BDBM76994 CCCCC1(CCCC)CN(c2ccccc2)c2cc(SC)c(OCC(=O)N[C@@H](C(=O)NCC(O)=O)c3ccccc3)cc2S(=O)(=O)N1 |r,$;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;HN;;;;;;;;;;;;;;;;HN$|
BDBM76996 CCCCC1(CCCC)CN(c2ccccc2)c2cc(SC)c(OCC(=O)N[C@@H](C(=O)N[C@@H](C)C(O)=O)c3ccccc3)cc2S(=O)(=O)C1 |r,$;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;HN;;;;;;;;;;;;;;;;;$|
BDBM77029 CCCCC1(CCCC)CN(c2ccccc2)c2cc(SC)c(OCC(=O)N[C@@H](C(=O)N[C@@H](CC)C(O)=O)c3ccccc3)cc2S(=O)(=O)N1 |r,$;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;HN;;;;;;;;;;;;;;;;;;HN$|
BDBM77033 CCCCC1(CCCC)CN(c2ccccc2)c2cc(SC)c(OCC(=O)N[C@@H](C(=O)N[C@@H](CSC)C(O)=O)c3ccccc3)cc2S(=O)(=O)N1 |r,$;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;HN;;;;;;;;;;;;;;;;;;;HN$|
BDBM77040 CCCCC1(CCCC)CN(c2ccccc2)c2cc(SC)c(OCC(=O)N[C@@H](C(=O)N[C@@H](CC)C(O)=O)c3ccc(O)cc3)cc2S(=O)(=O)N1 |r,$;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;HN;;;;;;;;;;;;;;;;;;;HN$|
BDBM77051 CCCCC1(CCCC)CN(c2ccccc2)c2cc(SC)c(OCC(=O)N[C@@H](C(=O)N[C@@H](C(C)C)C(O)=O)c3ccccc3)cc2S(=O)(=O)N1 |r,$;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;HN;;;;;;;;;;;;;;;;;;;HN$|
BDBM77055 CCCCC1(CCCC)CN(c2ccccc2)c2cc(SC)c(OCC(=O)N[C@@H](C(=O)N[C@@H]([C@@H](C)O)C(O)=O)c3ccc(O)cc3)cc2S(=O)(=O)N1 |r,$;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;HN;;;;;;;;;;;;;;;;;;;;HN$|
BDBM77074 CCCCC1(CCCC)CN(c2ccccc2)c2cc(SC)c(OCC(=O)N[C@@H](C(=O)N[C@@H](C)C(O)=O)c3ccccc3)cc2S(=O)(=O)N1 |r,$;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;HN;;;;;;;;;;;;;;;;;HN$|
BDBM77080 CCCCC1(CCC)CN(c2ccccc2)c2cc(SC)c(OCC(=O)N[C@@H](C(=O)N[C@@H](CC)C(O)=O)c3ccc(O)cc3)cc2S(=O)(=O)C1 |r,$;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;HN;;;;;;;;;;;;;;;;;;;$|
BDBM77083 CCCCC1(CCCC)CN(c2ccccc2)c2cc(SC)c(OCC(=O)N[C@@H](C(=O)N[C@@H](C)C(O)=O)c3ccc(O)cc3)cc2S(=O)(=O)N1 |r,$;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;HN;;;;;;;;;;;;;;;;;;HN$|
BDBM77086 CCCCC1(CCCC)CN(c2ccccc2)c2cc(SC)c(OCC(=O)N[C@@H](C(=O)N[C@@H](C(C)C)C(O)=O)c3ccc(O)cc3)cc2S(=O)(=O)N1 |r,$;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;HN;;;;;;;;;;;;;;;;;;;;HN$|
BDBM77088 CCCCC1(CCCC)CN(c2ccccc2)c2cc(SC)c(OCC(=O)N[C@@H](C(=O)NCC(O)=O)c3ccccc3)cc2S(=O)(=O)C1 |r,$;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;HN;;;;;;;;;;;;;;;;$|
BDBM50185701 CC(C)n1nc(cc1C1CC1c1ccc(OCc2c(onc2-c2c(Cl)cccc2Cl)C2CC2)cc1Cl)C(O)=O |(6.11,3.04,;5.44,2.01,;4.21,2.08,;6.13,.64,;7.65,.38,;7.88,-1.14,;6.5,-1.83,;5.45,-.71,;4.13,-1.5,;3.35,-2.83,;2.67,-1.54,;1.33,-.77,;,-1.54,;-1.33,-.77,;-1.33,.77,;-2.67,1.54,;-4,.77,;-5.34,1.53,;-5.48,3.05,;-6.99,3.37,;-7.76,2.04,;-6.73,.9,;-7.04,-.61,;-8.54,-.98,;-9.39,-.09,;-8.97,-2.45,;-7.9,-3.57,;-6.41,-3.2,;-5.98,-1.72,;-4.78,-1.43,;-4.33,4.08,;-2.93,4.46,;-4.05,5.51,;,1.54,;1.33,.77,;2.4,1.39,;9.24,-1.85,;9.3,-3.08,;10.28,-1.19,)|
BDBM50185722 CC(C)n1nc(cc1[C@H]1C[C@@](O)(C1)c1ccc(OCc2c(onc2-c2c(Cl)cccc2Cl)C2CC2)cc1Cl)C(O)=O |r,wU:8.8,wD:10.14,(9.09,-1.67,;7.87,-1.51,;7.12,-2.49,;7.28,-.09,;8.07,1.23,;7.06,2.39,;5.65,1.79,;5.81,.27,;4.47,-.5,;4.07,-1.99,;2.67,-1.54,;2.67,-2.77,;2.99,-.1,;1.33,-.77,;,-1.54,;-1.33,-.77,;-1.33,.77,;-2.67,1.54,;-4,.77,;-5.34,1.53,;-5.48,3.05,;-6.99,3.37,;-7.76,2.04,;-6.73,.9,;-7.04,-.61,;-8.54,-.98,;-9.39,-.09,;-8.97,-2.45,;-7.9,-3.57,;-6.41,-3.2,;-5.98,-1.72,;-4.78,-1.43,;-4.33,4.08,;-2.93,4.46,;-4.05,5.51,;,1.54,;1.33,.77,;2.4,1.39,;7.41,3.89,;6.51,4.73,;8.59,4.25,)|
BDBM50185723 OCCO[C@@]1(C[C@@H](C1)c1cccc(c1)C(O)=O)c1ccc(OCc2c(onc2-c2c(Cl)cccc2Cl)C2CC2)cc1Cl |r,wU:6.8,wD:4.18,(5.06,-6.02,;4,-5.4,;4,-3.86,;2.66,-3.08,;2.67,-1.54,;4.07,-1.99,;4.47,-.51,;2.98,-.1,;5.81,.26,;7.25,-.25,;8.42,.75,;8.14,2.27,;6.69,2.78,;5.51,1.78,;6.4,4.3,;7.34,5.1,;5.24,4.7,;1.33,-.77,;,-1.54,;-1.33,-.77,;-1.33,.77,;-2.67,1.54,;-4,.77,;-5.34,1.53,;-5.48,3.05,;-6.99,3.37,;-7.76,2.04,;-6.73,.9,;-7.04,-.61,;-8.54,-.98,;-9.39,-.09,;-8.97,-2.45,;-7.9,-3.57,;-6.41,-3.2,;-5.98,-1.72,;-4.78,-1.43,;-4.33,4.08,;-2.93,4.46,;-4.05,5.51,;,1.54,;1.33,.77,;2.4,1.39,)|
BDBM50176910 [H][C@]1(NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](CCC(N)=O)N(C)C(=O)[C@@H](NC(=O)[C@@H](CS(O)(=O)=O)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](NC(=O)[C@H](NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2ccc(Br)cc2)NC(=O)[C@@H](C)NC=O)C(C)C)C(C)(C)C)[C@@H](C)OC(=O)CN(C)C(=O)[C@H](CC(N)=O)NC1=O)[C@@H](C)O |r|
BDBM50185708 OC(=O)c1ccc(cc1)[C@@H]1C[C@H]1c1ccc(OCc2c(onc2-c2c(Cl)cccc2Cl)C2CC2)cc1Cl |r,wU:11.13,wD:9.9,(10.44,1.17,;10,.02,;10.78,-.94,;8.48,-.23,;7.51,.96,;5.99,.71,;5.45,-.71,;6.42,-1.92,;7.94,-1.67,;4.13,-1.5,;3.35,-2.83,;2.67,-1.54,;1.33,-.77,;,-1.54,;-1.33,-.77,;-1.33,.77,;-2.67,1.54,;-4,.77,;-5.34,1.53,;-5.48,3.05,;-6.99,3.37,;-7.76,2.04,;-6.73,.9,;-7.04,-.61,;-8.54,-.98,;-9.39,-.09,;-8.97,-2.45,;-7.9,-3.57,;-6.41,-3.2,;-5.98,-1.72,;-4.78,-1.43,;-4.33,4.08,;-2.93,4.46,;-4.05,5.51,;,1.54,;1.33,.77,;2.4,1.39,)|
BDBM50185709 OC(=O)c1cccc(c1)C1CC1c1ccc(OCc2c(onc2-c2c(Cl)cccc2Cl)C2CC2)cc1Cl |(10.13,-2.67,;8.91,-2.86,;8.48,-4.02,;7.94,-1.67,;8.48,-.23,;7.51,.96,;5.99,.71,;5.45,-.71,;6.42,-1.92,;4.13,-1.5,;3.35,-2.83,;2.67,-1.54,;1.33,-.77,;,-1.54,;-1.33,-.77,;-1.33,.77,;-2.67,1.54,;-4,.77,;-5.34,1.53,;-5.48,3.05,;-6.99,3.37,;-7.76,2.04,;-6.73,.9,;-7.04,-.61,;-8.54,-.98,;-9.39,-.09,;-8.97,-2.45,;-7.9,-3.57,;-6.41,-3.2,;-5.98,-1.72,;-4.78,-1.43,;-4.33,4.08,;-2.93,4.46,;-4.05,5.51,;,1.54,;1.33,.77,;2.4,1.39,)|
BDBM50185697 CS(=O)(=O)NC(=O)c1ccc(cc1)[C@@H]1C[C@H]1c1ccc(OCc2c(noc2C2CC2)-c2c(Cl)cccc2Cl)cc1Cl |r,wU:15.17,wD:13.13,(13.72,-.73,;12.5,-.93,;13.28,-1.88,;12.94,.22,;10.98,-1.18,;10,.02,;10.44,1.17,;8.48,-.23,;7.51,.96,;5.99,.71,;5.45,-.71,;6.42,-1.92,;7.94,-1.67,;4.13,-1.5,;3.35,-2.83,;2.67,-1.54,;1.33,-.77,;,-1.54,;-1.33,-.77,;-1.33,.77,;-2.67,1.54,;-4,.77,;-5.34,1.53,;-6.73,.9,;-7.76,2.04,;-6.99,3.37,;-5.48,3.05,;-4.33,4.08,;-2.93,4.46,;-4.05,5.51,;-7.04,-.61,;-8.54,-.98,;-9.39,-.09,;-8.97,-2.45,;-7.9,-3.57,;-6.41,-3.2,;-5.98,-1.72,;-4.78,-1.43,;,1.54,;1.33,.77,;2.4,1.39,)|
BDBM50185698 CS(=O)(=O)NC(=O)c1ccc(cc1)C1CC1c1ccc(OCc2c(noc2C2CC2)-c2c(Cl)cccc2Cl)cc1Cl |(13.72,-.73,;12.5,-.93,;13.28,-1.88,;12.94,.22,;10.98,-1.18,;10,.02,;10.44,1.17,;8.48,-.23,;7.51,.96,;5.99,.71,;5.45,-.71,;6.42,-1.92,;7.94,-1.67,;4.13,-1.5,;3.35,-2.83,;2.67,-1.54,;1.33,-.77,;,-1.54,;-1.33,-.77,;-1.33,.77,;-2.67,1.54,;-4,.77,;-5.34,1.53,;-6.73,.9,;-7.76,2.04,;-6.99,3.37,;-5.48,3.05,;-4.33,4.08,;-2.93,4.46,;-4.05,5.51,;-7.04,-.61,;-8.54,-.98,;-9.39,-.09,;-8.97,-2.45,;-7.9,-3.57,;-6.41,-3.2,;-5.98,-1.72,;-4.78,-1.43,;,1.54,;1.33,.77,;2.4,1.39,)|
BDBM50185699 Cn1nc(C(O)=O)c2ccc(cc12)C1CC1c1ccc(OCc2c(noc2C2CC2)-c2c(Cl)cccc2Cl)cc1Cl |(2.14,2.41,;1.76,1.24,;2.66,.02,;1.76,-1.24,;2.24,-2.7,;1.42,-3.62,;3.45,-2.94,;.3,-.77,;-1.03,-1.55,;-2.38,-.77,;-2.38,.77,;-1.03,1.55,;.3,.77,;-3.71,1.53,;-5.17,1.49,;-4.4,2.82,;-4.38,4.36,;-5.92,4.59,;-6.46,6.03,;-5.49,7.23,;-6.04,8.67,;-7.56,8.91,;-8.1,10.35,;-9.58,10.74,;-9.66,12.28,;-8.21,12.82,;-7.25,11.62,;-5.71,11.68,;-4.38,11.09,;-4.59,12.62,;-10.78,9.77,;-12.17,10.44,;-12.26,11.66,;-13.44,9.56,;-13.32,8.03,;-11.93,7.36,;-10.66,8.24,;-9.54,7.71,;-3.97,6.98,;-3.42,5.54,;-2.21,5.34,)|
BDBM50185700 CC(C)n1nc(cc1[C@@H]1C[C@H]1c1ccc(OCc2c(onc2-c2c(Cl)cccc2Cl)C2CC2)cc1Cl)C(O)=O |r,wU:10.12,wD:8.8,(6.11,3.04,;5.44,2.01,;4.21,2.08,;6.13,.64,;7.65,.38,;7.88,-1.14,;6.5,-1.83,;5.45,-.71,;4.13,-1.5,;3.35,-2.83,;2.67,-1.54,;1.33,-.77,;,-1.54,;-1.33,-.77,;-1.33,.77,;-2.67,1.54,;-4,.77,;-5.34,1.53,;-5.48,3.05,;-6.99,3.37,;-7.76,2.04,;-6.73,.9,;-7.04,-.61,;-8.54,-.98,;-9.39,-.09,;-8.97,-2.45,;-7.9,-3.57,;-6.41,-3.2,;-5.98,-1.72,;-4.78,-1.43,;-4.33,4.08,;-2.93,4.46,;-4.05,5.51,;,1.54,;1.33,.77,;2.4,1.39,;9.24,-1.85,;9.3,-3.08,;10.28,-1.19,)|
BDBM50185702 OC(=O)c1cncc(c1)C1CC1c1ccc(OCc2c(noc2C2CC2)-c2c(Cl)cccc2Cl)cc1Cl |(7.28,3.36,;8.06,2.4,;9.27,2.6,;7.51,.96,;8.48,-.23,;7.94,-1.67,;6.42,-1.92,;5.45,-.71,;5.99,.71,;4.13,-1.5,;3.35,-2.83,;2.67,-1.54,;1.33,-.77,;,-1.54,;-1.33,-.77,;-1.33,.77,;-2.67,1.54,;-4,.77,;-5.34,1.53,;-6.73,.9,;-7.76,2.04,;-6.99,3.37,;-5.48,3.05,;-4.33,4.08,;-2.93,4.46,;-4.05,5.51,;-7.04,-.61,;-8.54,-.98,;-9.39,-.09,;-8.97,-2.45,;-7.9,-3.57,;-6.41,-3.2,;-5.98,-1.72,;-4.78,-1.43,;,1.54,;1.33,.77,;2.4,1.39,)|
BDBM50185703 OC(=O)c1ccc(cn1)C1CC1c1ccc(OCc2c(noc2C2CC2)-c2c(Cl)cccc2Cl)cc1Cl |(10.44,1.17,;10,.02,;10.78,-.94,;8.48,-.23,;7.51,.96,;5.99,.71,;5.45,-.71,;6.42,-1.92,;7.94,-1.67,;4.13,-1.5,;3.35,-2.83,;2.67,-1.54,;1.33,-.77,;,-1.54,;-1.33,-.77,;-1.33,.77,;-2.67,1.54,;-4,.77,;-5.34,1.53,;-6.73,.9,;-7.76,2.04,;-6.99,3.37,;-5.48,3.05,;-4.33,4.08,;-2.93,4.46,;-4.05,5.51,;-7.04,-.61,;-8.54,-.98,;-9.39,-.09,;-8.97,-2.45,;-7.9,-3.57,;-6.41,-3.2,;-5.98,-1.72,;-4.78,-1.43,;,1.54,;1.33,.77,;2.4,1.39,)|
BDBM50185704 OC(=O)c1cccc(c1)[C@@H]1C[C@H]1c1ccc(OCc2c(onc2-c2c(Cl)cccc2Cl)C2CC2)cc1Cl |r,wU:11.13,wD:9.9,(10.13,-2.67,;8.91,-2.86,;8.48,-4.02,;7.94,-1.67,;8.48,-.23,;7.51,.96,;5.99,.71,;5.45,-.71,;6.42,-1.92,;4.13,-1.5,;3.35,-2.83,;2.67,-1.54,;1.33,-.77,;,-1.54,;-1.33,-.77,;-1.33,.77,;-2.67,1.54,;-4,.77,;-5.34,1.53,;-5.48,3.05,;-6.99,3.37,;-7.76,2.04,;-6.73,.9,;-7.04,-.61,;-8.54,-.98,;-9.39,-.09,;-8.97,-2.45,;-7.9,-3.57,;-6.41,-3.2,;-5.98,-1.72,;-4.78,-1.43,;-4.33,4.08,;-2.93,4.46,;-4.05,5.51,;,1.54,;1.33,.77,;2.4,1.39,)|
BDBM50185705 OC(=O)c1cccc(c1)[C@H]1C[C@@H]1c1ccc(OCc2c(onc2-c2c(Cl)cccc2Cl)C2CC2)cc1Cl |r,wU:9.9,wD:11.13,(10.13,-2.67,;8.91,-2.86,;8.48,-4.02,;7.94,-1.67,;8.48,-.23,;7.51,.96,;5.99,.71,;5.45,-.71,;6.42,-1.92,;4.13,-1.5,;3.35,-2.83,;2.67,-1.54,;1.33,-.77,;,-1.54,;-1.33,-.77,;-1.33,.77,;-2.67,1.54,;-4,.77,;-5.34,1.53,;-5.48,3.05,;-6.99,3.37,;-7.76,2.04,;-6.73,.9,;-7.04,-.61,;-8.54,-.98,;-9.39,-.09,;-8.97,-2.45,;-7.9,-3.57,;-6.41,-3.2,;-5.98,-1.72,;-4.78,-1.43,;-4.33,4.08,;-2.93,4.46,;-4.05,5.51,;,1.54,;1.33,.77,;2.4,1.39,)|
BDBM50185706 OC(=O)c1ccc(cc1)C1CC1c1ccc(OCc2c(onc2-c2c(Cl)cccc2Cl)C2CC2)cc1Cl |(10.44,1.17,;10,.02,;10.78,-.94,;8.48,-.23,;7.51,.96,;5.99,.71,;5.45,-.71,;6.42,-1.92,;7.94,-1.67,;4.13,-1.5,;3.35,-2.83,;2.67,-1.54,;1.33,-.77,;,-1.54,;-1.33,-.77,;-1.33,.77,;-2.67,1.54,;-4,.77,;-5.34,1.53,;-5.48,3.05,;-6.99,3.37,;-7.76,2.04,;-6.73,.9,;-7.04,-.61,;-8.54,-.98,;-9.39,-.09,;-8.97,-2.45,;-7.9,-3.57,;-6.41,-3.2,;-5.98,-1.72,;-4.78,-1.43,;-4.33,4.08,;-2.93,4.46,;-4.05,5.51,;,1.54,;1.33,.77,;2.4,1.39,)|
BDBM50185707 OC(=O)c1ccc(cc1)[C@H]1C[C@@H]1c1ccc(OCc2c(onc2-c2c(Cl)cccc2Cl)C2CC2)cc1Cl |r,wU:9.9,wD:11.13,(10.44,1.17,;10,.02,;10.78,-.94,;8.48,-.23,;7.51,.96,;5.99,.71,;5.45,-.71,;6.42,-1.92,;7.94,-1.67,;4.13,-1.5,;3.35,-2.83,;2.67,-1.54,;1.33,-.77,;,-1.54,;-1.33,-.77,;-1.33,.77,;-2.67,1.54,;-4,.77,;-5.34,1.53,;-5.48,3.05,;-6.99,3.37,;-7.76,2.04,;-6.73,.9,;-7.04,-.61,;-8.54,-.98,;-9.39,-.09,;-8.97,-2.45,;-7.9,-3.57,;-6.41,-3.2,;-5.98,-1.72,;-4.78,-1.43,;-4.33,4.08,;-2.93,4.46,;-4.05,5.51,;,1.54,;1.33,.77,;2.4,1.39,)|
BDBM50185710 Clc1cccc(Cl)c1-c1noc(C2CC2)c1COc1ccc(C2CC2c2ccc(nc2)-c2nnn[nH]2)c(Cl)c1 |(-9.39,-.09,;-8.54,-.98,;-8.97,-2.45,;-7.9,-3.57,;-6.41,-3.2,;-5.98,-1.72,;-4.78,-1.43,;-7.04,-.61,;-6.73,.9,;-7.76,2.04,;-6.99,3.37,;-5.48,3.05,;-4.33,4.08,;-2.93,4.46,;-4.05,5.51,;-5.34,1.53,;-4,.77,;-2.67,1.54,;-1.33,.77,;-1.33,-.77,;,-1.54,;1.33,-.77,;2.67,-1.54,;3.35,-2.83,;4.13,-1.5,;5.45,-.71,;5.99,.71,;7.51,.96,;8.48,-.23,;7.94,-1.67,;6.42,-1.92,;10,.02,;10.68,1.39,;12.2,1.16,;12.44,-.36,;11.07,-1.07,;1.33,.77,;2.4,1.39,;,1.54,)|
BDBM50185711 OC(=O)CNC(=O)c1ccc(cc1)C1CC1c1ccc(OCc2c(noc2C2CC2)-c2c(Cl)cccc2Cl)cc1Cl |(13.04,-3.28,;13.47,-2.12,;14.69,-1.93,;12.5,-.93,;10.98,-1.18,;10,.02,;10.44,1.17,;8.48,-.23,;7.51,.96,;5.99,.71,;5.45,-.71,;6.42,-1.92,;7.94,-1.67,;4.13,-1.5,;3.35,-2.83,;2.67,-1.54,;1.33,-.77,;,-1.54,;-1.33,-.77,;-1.33,.77,;-2.67,1.54,;-4,.77,;-5.34,1.53,;-6.73,.9,;-7.76,2.04,;-6.99,3.37,;-5.48,3.05,;-4.33,4.08,;-2.93,4.46,;-4.05,5.51,;-7.04,-.61,;-8.54,-.98,;-9.39,-.09,;-8.97,-2.45,;-7.9,-3.57,;-6.41,-3.2,;-5.98,-1.72,;-4.78,-1.43,;,1.54,;1.33,.77,;2.4,1.39,)|
BDBM50178305 CNC(=O)O[C@@H](CC(C)C)c1nc(cs1)[C@H]1OC(=O)\C(C)=C\C\C(C)=C\[C@@H](O)[C@@H](C)\C=C(\C)/C=C(/C)\C=C\[C@@H](O)[C@H](C)[C@H](OC)\C(C)=C\C=C\[C@@H]1C |t:21,25,31,34,37,47,49|
BDBM50185712 OS(=O)(=O)CCNC(=O)c1ccc(cc1)C1CC1c1ccc(OCc2c(noc2C2CC2)-c2c(Cl)cccc2Cl)cc1Cl |(16.21,-1.68,;15,-1.88,;15.77,-2.83,;15.43,-.73,;13.47,-2.12,;12.5,-.93,;10.98,-1.18,;10,.02,;10.44,1.17,;8.48,-.23,;7.51,.96,;5.99,.71,;5.45,-.71,;6.42,-1.92,;7.94,-1.67,;4.13,-1.5,;3.35,-2.83,;2.67,-1.54,;1.33,-.77,;,-1.54,;-1.33,-.77,;-1.33,.77,;-2.67,1.54,;-4,.77,;-5.34,1.53,;-6.73,.9,;-7.76,2.04,;-6.99,3.37,;-5.48,3.05,;-4.33,4.08,;-2.93,4.46,;-4.05,5.51,;-7.04,-.61,;-8.54,-.98,;-9.39,-.09,;-8.97,-2.45,;-7.9,-3.57,;-6.41,-3.2,;-5.98,-1.72,;-4.78,-1.43,;,1.54,;1.33,.77,;2.4,1.39,)|
BDBM50185714 Cn1nc(C(O)=O)c2ccc(cc12)[C@H]1C[C@@](O)(C1)c1ccc(OCc2c(onc2-c2c(Cl)cccc2Cl)C2CC2)cc1Cl |r,wU:13.14,wD:15.20,(2.14,2.41,;1.76,1.24,;2.66,.02,;1.76,-1.24,;2.24,-2.7,;1.42,-3.62,;3.45,-2.94,;.3,-.77,;-1.03,-1.55,;-2.38,-.77,;-2.38,.77,;-1.03,1.55,;.3,.77,;-3.71,1.53,;-5.15,1.11,;-5.56,2.59,;-6.62,1.97,;-4.07,3,;-5.55,4.13,;-6.89,4.9,;-6.88,6.44,;-5.55,7.21,;-5.55,8.75,;-6.89,9.52,;-6.89,11.06,;-5.64,11.94,;-6.11,13.41,;-7.65,13.41,;-8.13,11.95,;-9.59,11.46,;-10.66,12.58,;-10.31,13.76,;-12.15,12.22,;-12.58,10.74,;-11.52,9.63,;-10.02,9.99,;-9.17,9.1,;-4.18,11.46,;-3.15,10.43,;-2.8,11.93,;-4.22,6.44,;-4.22,4.9,;-3.15,4.28,)|
BDBM50185716 OC(=O)c1cccc(c1)N1CC(O)(C1)c1ccc(OCc2c(onc2-c2c(Cl)cccc2Cl)C2CC2)cc1Cl |(9.37,-2.45,;9.6,-1.24,;10.76,-.83,;8.43,-.24,;8.71,1.28,;7.54,2.28,;6.09,1.77,;5.81,.27,;6.97,-.75,;4.47,-.5,;2.99,-.1,;2.67,-1.54,;2.67,-2.77,;4.07,-1.99,;1.33,-.77,;,-1.54,;-1.33,-.77,;-1.33,.77,;-2.67,1.54,;-4,.77,;-5.34,1.53,;-5.48,3.05,;-6.99,3.37,;-7.76,2.04,;-6.73,.9,;-7.04,-.61,;-8.54,-.98,;-9.39,-.09,;-8.97,-2.45,;-7.9,-3.57,;-6.41,-3.2,;-5.98,-1.72,;-4.78,-1.43,;-4.33,4.08,;-2.93,4.46,;-4.05,5.51,;,1.54,;1.33,.77,;2.4,1.39,)|
BDBM50185717 CCO[C@@]1(C[C@@H](C1)c1cccc(c1)C(O)=O)c1ccc(OCc2c(onc2-c2c(Cl)cccc2Cl)C2CC2)cc1Cl |r,wU:5.7,wD:3.17,(4,-5.09,;4,-3.86,;2.66,-3.08,;2.67,-1.54,;4.07,-1.99,;4.47,-.51,;2.98,-.1,;5.81,.26,;7.25,-.25,;8.42,.75,;8.14,2.27,;6.69,2.78,;5.51,1.78,;6.4,4.3,;7.34,5.1,;5.24,4.7,;1.33,-.77,;,-1.54,;-1.33,-.77,;-1.33,.77,;-2.67,1.54,;-4,.77,;-5.34,1.53,;-5.48,3.05,;-6.99,3.37,;-7.76,2.04,;-6.73,.9,;-7.04,-.61,;-8.54,-.98,;-9.39,-.09,;-8.97,-2.45,;-7.9,-3.57,;-6.41,-3.2,;-5.98,-1.72,;-4.78,-1.43,;-4.33,4.08,;-2.93,4.46,;-4.05,5.51,;,1.54,;1.33,.77,;2.4,1.39,)|
BDBM50185718 CO[C@@]1(C[C@@H](C1)c1cccc(c1)C(O)=O)c1ccc(OCc2c(onc2-c2c(Cl)cccc2Cl)C2CC2)cc1Cl |r,wU:4.6,wD:2.16,(3.73,-3.7,;2.66,-3.08,;2.67,-1.54,;4.07,-1.99,;4.47,-.51,;2.98,-.1,;5.81,.26,;7.25,-.25,;8.42,.75,;8.14,2.27,;6.69,2.78,;5.51,1.78,;6.4,4.3,;7.34,5.1,;5.24,4.7,;1.33,-.77,;,-1.54,;-1.33,-.77,;-1.33,.77,;-2.67,1.54,;-4,.77,;-5.34,1.53,;-5.48,3.05,;-6.99,3.37,;-7.76,2.04,;-6.73,.9,;-7.04,-.61,;-8.54,-.98,;-9.39,-.09,;-8.97,-2.45,;-7.9,-3.57,;-6.41,-3.2,;-5.98,-1.72,;-4.78,-1.43,;-4.33,4.08,;-2.93,4.46,;-4.05,5.51,;,1.54,;1.33,.77,;2.4,1.39,)|
BDBM50185720 OC(=O)c1ccc(cc1)[C@H]1C[C@@](O)(C1)c1ccc(OCc2c(onc2-c2c(Cl)cccc2Cl)C2CC2)cc1Cl |r,wU:9.9,wD:11.15,(10.47,2.87,;9.31,3.28,;9.08,4.49,;8.14,2.27,;8.42,.76,;7.25,-.24,;5.81,.27,;5.51,1.78,;6.68,2.79,;4.47,-.5,;4.07,-1.99,;2.67,-1.54,;2.67,-2.77,;2.99,-.1,;1.33,-.77,;,-1.54,;-1.33,-.77,;-1.33,.77,;-2.67,1.54,;-4,.77,;-5.34,1.53,;-5.48,3.05,;-6.99,3.37,;-7.76,2.04,;-6.73,.9,;-7.04,-.61,;-8.54,-.98,;-9.39,-.09,;-8.97,-2.45,;-7.9,-3.57,;-6.41,-3.2,;-5.98,-1.72,;-4.78,-1.43,;-4.33,4.08,;-2.93,4.46,;-4.05,5.51,;,1.54,;1.33,.77,;2.4,1.39,)|
BDBM50185724 OC(=O)c1cccc(c1)[C@H]1C[C@H](C1)c1ccc(OCc2c(onc2-c2c(Cl)cccc2Cl)C2CC2)cc1Cl |r,wU:11.14,9.9,(10.79,-2.28,;9.63,-1.88,;9.4,-.67,;8.46,-2.88,;8.74,-4.39,;7.57,-5.39,;6.12,-4.88,;5.84,-3.38,;7.01,-2.37,;4.51,-2.61,;3.02,-3,;2.67,-1.54,;4.11,-1.12,;1.33,-.77,;,-1.54,;-1.33,-.77,;-1.33,.77,;-2.67,1.54,;-4,.77,;-5.34,1.53,;-5.48,3.05,;-6.99,3.37,;-7.76,2.04,;-6.73,.9,;-7.04,-.61,;-8.54,-.98,;-9.39,-.09,;-8.97,-2.45,;-7.9,-3.57,;-6.41,-3.2,;-5.98,-1.72,;-4.78,-1.43,;-4.33,4.08,;-2.93,4.46,;-4.05,5.51,;,1.54,;1.33,.77,;2.4,1.39,)|
BDBM50185725 OC(=O)c1cccc(c1)[C@H]1C[C@@H](C1)c1ccc(OCc2c(onc2-c2c(Cl)cccc2Cl)C2CC2)cc1Cl |r,wU:9.9,wD:11.14,(10.79,-2.28,;9.63,-1.88,;9.4,-.67,;8.46,-2.88,;8.74,-4.39,;7.57,-5.39,;6.12,-4.88,;5.84,-3.38,;7.01,-2.37,;4.51,-2.61,;3.02,-3,;2.67,-1.54,;4.11,-1.12,;1.33,-.77,;,-1.54,;-1.33,-.77,;-1.33,.77,;-2.67,1.54,;-4,.77,;-5.34,1.53,;-5.48,3.05,;-6.99,3.37,;-7.76,2.04,;-6.73,.9,;-7.04,-.61,;-8.54,-.98,;-9.39,-.09,;-8.97,-2.45,;-7.9,-3.57,;-6.41,-3.2,;-5.98,-1.72,;-4.78,-1.43,;-4.33,4.08,;-2.93,4.46,;-4.05,5.51,;,1.54,;1.33,.77,;2.4,1.39,)|
BDBM50185715 OC(=O)c1cncc(c1)N1CC(O)(C1)c1ccc(OCc2c(onc2-c2c(Cl)cccc2Cl)C2CC2)cc1Cl |(6.9,4.6,;7.83,3.79,;8.99,4.2,;7.54,2.28,;8.71,1.28,;8.43,-.24,;6.97,-.75,;5.81,.27,;6.09,1.77,;4.47,-.5,;2.99,-.1,;2.67,-1.54,;2.67,-2.77,;4.07,-1.99,;1.33,-.77,;,-1.54,;-1.33,-.77,;-1.33,.77,;-2.67,1.54,;-4,.77,;-5.34,1.53,;-5.48,3.05,;-6.99,3.37,;-7.76,2.04,;-6.73,.9,;-7.04,-.61,;-8.54,-.98,;-9.39,-.09,;-8.97,-2.45,;-7.9,-3.57,;-6.41,-3.2,;-5.98,-1.72,;-4.78,-1.43,;-4.33,4.08,;-2.93,4.46,;-4.05,5.51,;,1.54,;1.33,.77,;2.4,1.39,)|
BDBM50176963 [H]C1(NC(=O)C(Cc2ccccc2)NC(=O)C(CCC(N)=O)N(C)C(=O)C(NC(=O)C(CS(O)(=O)=O)NC(=O)C(CCCNC(N)=N)NC(=O)C(Cc2c[nH]c3ccccc23)NC(=O)C(NC(=O)C(NC(=O)C2CCCN2C(=O)C(Cc2ccccc2)NC(=O)C(C)NC=O)C(C)C)C(C)(C)C)C(C)OC(=O)CN(C)C(=O)C(CC(N)=O)NC1=O)C(C)O