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1251 SMILES Strings for Neuropeptide Y receptor type 5 ( NPY Y5)

Compound NameSMILES String
BDBM82281 CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@@H](N)CO)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O |wU:86.89,85.86,61.62,8.17,103.104,20.28,41.47,123.124,54.56,wD:77.78,69.70,4.4,92.93,30.39,112.113,78.80,2.2,49.51,(38.36,6.07,;37.02,5.3,;37.02,3.76,;38.36,2.99,;35.69,2.99,;35.69,1.45,;37.02,.68,;38.36,1.45,;37.02,-.86,;35.69,-1.63,;35.69,-3.17,;34.36,-3.94,;34.36,-5.48,;35.69,-6.25,;35.69,-7.79,;37.02,-5.48,;37.02,-3.94,;38.36,-1.63,;39.69,-.86,;39.69,.68,;41.02,-1.63,;41.02,-3.17,;42.36,-3.94,;43.76,-3.32,;44.8,-4.46,;44.03,-5.8,;42.52,-5.48,;42.36,-.86,;42.36,.68,;41.02,1.45,;43.13,2.01,;42.36,3.34,;43.13,4.68,;44.67,4.68,;45.44,6.01,;44.67,7.34,;45.44,8.68,;43.13,7.34,;44.67,2.01,;45.44,.68,;44.67,-.66,;46.98,.68,;47.75,-.66,;46.98,-1.99,;47.75,-3.32,;45.44,-1.99,;47.75,2.01,;49.29,2.01,;50.06,.68,;50.06,3.34,;49.29,4.68,;51.6,3.34,;52.37,4.68,;51.6,6.01,;53.91,4.68,;54.68,6.01,;54.68,3.34,;56.22,3.34,;34.36,3.76,;33.02,2.99,;34.36,5.3,;33.02,6.07,;32.03,4.89,;30.52,5.15,;29.53,3.97,;29.99,6.6,;33.02,7.61,;34.36,8.38,;32.03,8.79,;32.56,10.23,;34.08,10.5,;34.6,11.95,;36.12,12.22,;33.61,13.13,;31.57,11.41,;32.1,12.86,;30.05,11.15,;29.06,12.33,;29.59,13.77,;31.11,14.04,;28.6,14.95,;29.13,16.4,;27.55,12.06,;27.02,10.61,;26.56,13.24,;25.04,12.97,;24.51,11.52,;25.5,10.34,;23,11.26,;24.05,14.15,;24.58,15.6,;22.53,13.88,;21.54,15.06,;22.07,16.51,;21.08,17.69,;21.61,19.14,;20.62,20.32,;21.14,21.76,;20.15,22.94,;22.66,22.03,;20.03,14.8,;19.5,13.35,;19.04,15.97,;17.52,15.71,;16.99,14.26,;15.48,13.99,;14.95,12.55,;13.43,12.28,;15.94,11.37,;16.53,16.89,;17.06,18.33,;15.01,16.62,;14.02,17.8,;14.55,19.25,;13.56,20.43,;14.09,21.87,;13.1,23.05,;13.62,24.5,;12.63,25.68,;15.14,24.77,;12.51,17.53,;11.98,16.08,;11.52,18.71,;10,18.44,;9.47,17,;7.96,16.73,;6.97,17.91,;5.45,17.64,;4.92,16.19,;3.41,15.93,;5.91,15.02,;7.43,15.28,;9.01,19.62,;9.54,21.07,;7.49,19.36,)|
BDBM82282 CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O |wU:163.169,100.108,162.166,138.142,8.17,180.184,20.28,41.47,200.204,54.58,130.133,125.129,95.99,wD:116.125,108.116,154.158,146.150,84.95,4.4,169.173,72.84,30.39,189.193,60.71,155.160,2.2,49.51,(38.36,6.07,;37.02,5.3,;37.02,3.76,;38.36,2.99,;35.69,2.99,;35.69,1.45,;37.02,.68,;38.36,1.45,;37.02,-.86,;35.69,-1.63,;35.69,-3.17,;34.36,-3.94,;34.36,-5.48,;35.69,-6.25,;35.69,-7.79,;37.02,-5.48,;37.02,-3.94,;38.36,-1.63,;39.69,-.86,;39.69,.68,;41.02,-1.63,;41.02,-3.17,;42.36,-3.94,;43.76,-3.32,;44.8,-4.46,;44.03,-5.8,;42.52,-5.48,;42.36,-.86,;42.36,.68,;41.02,1.45,;43.13,2.01,;42.36,3.34,;43.13,4.68,;44.67,4.68,;45.44,6.01,;44.67,7.34,;45.44,8.68,;43.13,7.34,;44.67,2.01,;45.44,.68,;44.67,-.66,;46.98,.68,;47.75,-.66,;46.98,-1.99,;47.75,-3.32,;45.44,-1.99,;47.75,2.01,;49.29,2.01,;50.06,.68,;50.06,3.34,;49.29,4.68,;51.6,3.34,;52.37,4.68,;51.6,6.01,;53.91,4.68,;54.68,3.34,;56.22,3.34,;54.68,6.01,;56.22,6.01,;56.99,4.68,;56.99,7.34,;56.22,8.68,;56.99,10.01,;58.53,10.01,;59.3,11.35,;58.53,12.68,;59.3,14.01,;56.99,12.68,;56.22,11.35,;58.53,7.34,;59.3,6.01,;58.53,4.68,;60.84,6.01,;61.61,7.34,;63.15,7.34,;63.92,6.01,;65.46,6.01,;66.23,7.34,;67.77,7.34,;65.46,8.68,;63.92,8.68,;61.61,4.68,;60.84,3.34,;59.3,3.34,;61.61,2.01,;63.15,2.01,;63.92,.68,;65.46,.68,;66.23,-.66,;67.77,-.66,;68.54,-1.99,;68.54,.68,;60.84,.68,;61.61,-.66,;63.15,-.66,;60.84,-1.99,;59.3,-1.99,;61.61,-3.32,;60.84,-4.66,;59.3,-4.66,;61.61,-5.99,;60.84,-7.33,;59.3,-7.33,;58.53,-8.66,;58.53,-5.99,;63.15,-5.99,;63.92,-7.33,;63.15,-8.66,;65.46,-7.33,;66.23,-5.99,;67.77,-5.99,;68.54,-4.66,;68.54,-7.33,;66.23,-8.66,;65.46,-9.99,;63.92,-9.99,;66.23,-11.33,;67.77,-11.33,;68.54,-12.66,;70.08,-12.66,;70.85,-13.99,;70.85,-11.33,;65.46,-12.66,;66.23,-13.99,;67.77,-13.99,;65.46,-15.33,;63.92,-15.33,;66.23,-16.66,;65.46,-18,;63.92,-18,;66.23,-19.33,;65.6,-20.74,;66.75,-21.77,;68.08,-21,;67.76,-19.49,;34.36,3.76,;33.02,2.99,;34.36,5.3,;33.02,6.07,;32.03,4.89,;30.52,5.15,;29.53,3.97,;29.99,6.6,;33.02,7.61,;34.36,8.38,;32.03,8.79,;32.56,10.23,;34.08,10.5,;34.6,11.95,;36.12,12.22,;33.61,13.13,;31.57,11.41,;32.1,12.86,;30.05,11.15,;29.06,12.33,;29.59,13.77,;31.11,14.04,;28.6,14.95,;29.13,16.4,;27.55,12.06,;27.02,10.61,;26.56,13.24,;25.04,12.97,;24.51,11.52,;25.5,10.34,;23,11.26,;24.05,14.15,;24.58,15.6,;22.53,13.88,;21.54,15.06,;22.07,16.51,;21.08,17.69,;21.61,19.14,;20.62,20.32,;21.14,21.76,;20.15,22.94,;22.66,22.03,;20.03,14.8,;19.5,13.35,;19.04,15.97,;17.52,15.71,;16.99,14.26,;15.48,13.99,;14.95,12.55,;13.43,12.28,;15.94,11.37,;16.53,16.89,;17.06,18.33,;15.01,16.62,;14.02,17.8,;14.55,19.25,;13.56,20.43,;14.09,21.87,;13.1,23.05,;13.62,24.5,;12.63,25.68,;15.14,24.77,;12.51,17.53,;11.98,16.08,;11.52,18.71,;10,18.44,;9.47,17,;7.96,16.73,;6.97,17.91,;5.45,17.64,;4.92,16.19,;3.41,15.93,;5.91,15.02,;7.43,15.28,;9.01,19.62,;9.54,21.07,;7.49,19.36,)|
BDBM82285 CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](C)N)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O |wU:126.131,95.100,125.128,101.104,8.17,143.146,20.28,41.47,163.166,54.58,wD:117.120,109.112,84.95,4.4,132.135,72.84,30.39,152.155,60.71,118.122,2.2,49.51,(38.36,6.07,;37.02,5.3,;37.02,3.76,;38.36,2.99,;35.69,2.99,;35.69,1.45,;37.02,.68,;38.36,1.45,;37.02,-.86,;35.69,-1.63,;35.69,-3.17,;34.36,-3.94,;34.36,-5.48,;35.69,-6.25,;35.69,-7.79,;37.02,-5.48,;37.02,-3.94,;38.36,-1.63,;39.69,-.86,;39.69,.68,;41.02,-1.63,;41.02,-3.17,;42.36,-3.94,;43.76,-3.32,;44.8,-4.46,;44.03,-5.8,;42.52,-5.48,;42.36,-.86,;42.36,.68,;41.02,1.45,;43.13,2.01,;42.36,3.34,;43.13,4.68,;44.67,4.68,;45.44,6.01,;44.67,7.34,;45.44,8.68,;43.13,7.34,;44.67,2.01,;45.44,.68,;44.67,-.66,;46.98,.68,;47.75,-.66,;46.98,-1.99,;47.75,-3.32,;45.44,-1.99,;47.75,2.01,;49.29,2.01,;50.06,.68,;50.06,3.34,;49.29,4.68,;51.6,3.34,;52.37,4.68,;51.6,6.01,;53.91,4.68,;54.68,3.34,;56.22,3.34,;54.68,6.01,;56.22,6.01,;56.99,4.68,;56.99,7.34,;56.22,8.68,;56.99,10.01,;58.53,10.01,;59.3,11.35,;58.53,12.68,;59.3,14.01,;56.99,12.68,;56.22,11.35,;58.53,7.34,;59.3,6.01,;58.53,4.68,;60.84,6.01,;61.61,7.34,;63.15,7.34,;63.92,6.01,;65.46,6.01,;66.23,7.34,;67.77,7.34,;65.46,8.68,;63.92,8.68,;61.61,4.68,;60.84,3.34,;59.3,3.34,;61.61,2.01,;63.15,2.01,;63.92,.68,;65.46,.68,;66.23,-.66,;67.77,-.66,;68.54,-1.99,;68.54,.68,;60.84,.68,;61.61,-.66,;63.15,-.66,;60.84,-1.99,;59.3,-1.99,;61.61,-3.32,;34.36,3.76,;33.02,2.99,;34.36,5.3,;33.02,6.07,;32.03,4.89,;30.52,5.15,;29.53,3.97,;29.99,6.6,;33.02,7.61,;34.36,8.38,;32.03,8.79,;32.56,10.23,;34.08,10.5,;34.6,11.95,;36.12,12.22,;33.61,13.13,;31.57,11.41,;32.1,12.86,;30.05,11.15,;29.06,12.33,;29.59,13.77,;31.11,14.04,;28.6,14.95,;29.13,16.4,;27.55,12.06,;27.02,10.61,;26.56,13.24,;25.04,12.97,;24.51,11.52,;25.5,10.34,;23,11.26,;24.05,14.15,;24.58,15.6,;22.53,13.88,;21.54,15.06,;22.07,16.51,;21.08,17.69,;21.61,19.14,;20.62,20.32,;21.14,21.76,;20.15,22.94,;22.66,22.03,;20.03,14.8,;19.5,13.35,;19.04,15.97,;17.52,15.71,;16.99,14.26,;15.48,13.99,;14.95,12.55,;13.43,12.28,;15.94,11.37,;16.53,16.89,;17.06,18.33,;15.01,16.62,;14.02,17.8,;14.55,19.25,;13.56,20.43,;14.09,21.87,;13.1,23.05,;13.62,24.5,;12.63,25.68,;15.14,24.77,;12.51,17.53,;11.98,16.08,;11.52,18.71,;10,18.44,;9.47,17,;7.96,16.73,;6.97,17.91,;5.45,17.64,;4.92,16.19,;3.41,15.93,;5.91,15.02,;7.43,15.28,;9.01,19.62,;9.54,21.07,;7.49,19.36,)|
BDBM82286 [#6]-[#6]-[#6](-[#6])-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccc(-[#8])cc1)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7+]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]-[#7]-[#6](-[#7])=[#7+])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#6])-[#6])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#8])=O)-[#7]-[#6](=O)-[#6@H](-[#6])-[#7]-[#6](=O)-[#6@H](-[#6])-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccc(-[#8])cc1)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6](-[#7])=O)-[#7]-[#6](=O)-[#6@H](-[#6])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#16]-[#6])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#7])=O)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6](-[#8])=O)-[#7]-[#6](=O)-[#6@@H]-1-[#6]-[#6]-[#6]-[#7]-1-[#6](=O)-[#6@@H](-[#7]-[#6](=O)-[#6@H](-[#6])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#7])=O)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#8])=O)-[#7]-[#6](=O)-[#6](-[#6])-[#7]-[#6](=O)-[#6@@H]-1-[#6]-[#6]-[#6]-[#7]-1-[#6](=O)-[#6@H](-[#6]-c1ccc(-[#8])cc1)-[#7]-[#6](=O)-[#6@@H](-[#7]-[#6](=O)-[#6@@H]-1-[#6]-[#6]-[#6]-[#7]-1-[#6](=O)-[#6@H](-[#6]-[#6]-[#6](-[#8])=O)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#6])-[#6])-[#7]-[#6](=O)-[#6@@H]-1-[#6]-[#6]-[#6]-[#7]-1-[#6](=O)-[#6](-[#6])-[#7])-[#6](-[#6])-[#6])-[#6](-[#6])-[#8])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#7])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#16]-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#6])-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6@@H](-[#6])-[#8])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6@H]-1-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccc(-[#8])cc1)-[#6](-[#7])=O
BDBM82290 CC(C)C[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CO)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(O)=O
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BDBM86732 CC(C)n1c2CCCCc2c2cc(NC(=O)N(C)CCc3ccncc3)ccc12
BDBM86733 CC1(C)CC(=O)C(C2C3=C(CC(C)(C)CC3=O)Oc3ccccc23)C(=O)C1 |t:8|
BDBM50103715 Nc1cc(nn1-c1ccc(cc1)C(F)(F)F)C1CCC(CNS(=O)(=O)c2ccccc2N)CC1 |(-4.59,.2,;-3.68,1.44,;-2.14,1.44,;-1.67,2.91,;-2.91,3.81,;-4.16,2.91,;-5.61,3.39,;-5.93,4.88,;-7.4,5.36,;-8.54,4.35,;-8.22,2.82,;-6.75,2.35,;-10.01,4.82,;-10.59,6.31,;-11.33,3.93,;-11.32,5.23,;-.2,3.39,;.12,4.89,;1.59,5.36,;2.73,4.33,;4.19,4.79,;5.32,3.77,;6.79,4.23,;7.11,5.72,;8.28,4.63,;7.93,3.19,;7.6,1.69,;8.74,.67,;10.2,1.13,;10.53,2.63,;9.39,3.67,;9.7,5.16,;2.4,2.82,;.94,2.35,)|
BDBM50103700 Nc1cc(nn1-c1ccc(cc1)C(F)(F)F)C1CCC(CNS(=O)(=O)c2ccccc2[N+]([O-])=O)CC1 |(-4.59,.2,;-3.68,1.44,;-2.14,1.44,;-1.67,2.91,;-2.91,3.81,;-4.16,2.91,;-5.61,3.39,;-6.75,2.35,;-8.22,2.82,;-8.54,4.35,;-7.4,5.36,;-5.93,4.88,;-10.01,4.82,;-10.59,6.31,;-11.33,3.93,;-11.32,5.23,;-.2,3.39,;.12,4.89,;1.59,5.36,;2.73,4.33,;4.19,4.79,;5.32,3.77,;6.79,4.23,;7.11,5.72,;8.28,4.63,;7.93,3.19,;7.6,1.69,;8.74,.67,;10.2,1.13,;10.53,2.63,;9.39,3.67,;9.7,5.16,;11.16,5.64,;8.56,6.21,;2.4,2.82,;.94,2.35,)|
BDBM50103722 Nc1cc(nn1-c1cccc(c1)C(F)(F)F)C1CCC(CNS(=O)(=O)c2ccccc2[N+]([O-])=O)CC1 |(.85,-2.45,;1.97,-1.38,;3.48,-1.66,;4.21,-.31,;3.16,.79,;1.77,.14,;.43,.88,;.38,2.42,;-.97,3.16,;-2.28,2.36,;-2.24,.81,;-.9,.07,;-3.57,.02,;-4.77,-.71,;-5.08,.55,;-3.79,-1.59,;5.75,-.12,;6.33,1.3,;7.84,1.51,;8.79,.27,;10.32,.48,;10.9,1.89,;12.43,2.09,;11.62,3.41,;13.48,3.22,;13.27,.79,;12.56,-.57,;13.39,-1.87,;14.93,-1.8,;15.63,-.4,;14.79,.88,;15.49,2.24,;17.03,2.32,;14.65,3.54,;8.19,-1.15,;6.68,-1.34,)|
BDBM50020168 COc1ccccc1CNCCCCCCNCCSSCCNCCCCCCNCc1ccccc1OC
BDBM50034121 CC[C@H](C)[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O
BDBM50060720 Cn1c(COc2ccc(Cl)cc2)c(CCN2CCC(CC2)N2CCCCC2)c2ccccc12
BDBM50060721 Cn1c(COc2ccc(Cl)cc2)c(CCN2CCCCC2)c2ccccc12
BDBM50060722 Cn1c(COc2ccc(Cl)cc2)c(C(=O)CN2CCC(CC2)N2CCCCC2)c2ccccc12
BDBM50060723 Cn1c(COc2ccc(Cl)cc2)c(C(=O)C(=O)N2CCC(CC2)N2CCCCC2)c2ccccc12
BDBM50060724 Clc1ccc(OCc2c(C(=O)CN3CCC(CC3)N3CCCCC3)c3ccccc3n2CCC2CCNCC2)cc1
BDBM50060725 Clc1ccc(OCc2c(C(=O)CN3CCC(CC3)N3CCCCC3)c3ccccc3n2CCC[C@@H]2CCCNC2)cc1
BDBM50060726 Clc1ccc(OCc2c(C(=O)CN3CCC(CC3)N3CCCCC3)c3ccccc3n2CCC[C@H]2CCCNC2)cc1
BDBM50060727 Cn1c(COc2ccc(Cl)cc2)c(CN2CCCCC2)c2ccccc12
BDBM50060728 [#7]\[#6](-[#7])=[#7]\[#6]-[#6]-[#6]-[#6@@H](-[#7]-[#6](=O)-[#6](-c1ccccc1)-c1ccccc1)-[#6](=O)-[#7]-[#6]-c1ccc(-[#8])cc1 |r|
BDBM50060729 Cn1c(COc2ccc(Cl)cc2)c(CN2CCC(CC2)N2CCCCC2)c2ccccc12
BDBM50060730 Clc1ccc(OCc2c(CN3CCC(CC3)N3CCCCC3)c3ccccc3n2CCN2CCCCC2)cc1
BDBM50060731 Cn1c(COc2ccc(Cl)cc2Cl)c(CN2CCCCC2)c2ccccc12
BDBM50065469 NC(=N)NCCCC(NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1
BDBM50073047 COc1ccc(cc1OC)-c1cc(NC(=O)Cc2ccc3ccccc3c2)[nH]n1
BDBM50073048 O=C(CN1CCC(CC1)n1c2ccccc2[nH]c1=O)Nc1ccc2C(=O)c3ccccc3-c2c1
BDBM50085382 COc1ccc2C3CC(NC(C)=O)=NC3CCc2c1 |c:12|
BDBM50085383 O=C(NC1=NC2CCc3ccccc3C2C1)[C@H]1CC[C@H](CNS(=O)(=O)c2ccccc2)CC1 |wU:16.18,wD:19.22,t:3,(6.72,4.48,;5.95,3.13,;4.42,3.13,;3.65,1.8,;4.26,.39,;3.12,-.64,;3.12,-2.21,;1.78,-2.98,;.44,-2.2,;-.89,-2.98,;-2.22,-2.21,;-2.22,-.65,;-.89,.12,;.45,-.65,;1.78,.13,;2.1,1.64,;6.73,1.8,;8.26,1.8,;9.03,.46,;8.26,-.87,;9.03,-2.21,;10.58,-2.22,;11.35,-3.55,;12.68,-2.78,;10.02,-4.33,;12.11,-4.89,;13.63,-4.89,;14.39,-6.2,;13.62,-7.54,;12.09,-7.54,;11.32,-6.2,;6.72,-.87,;5.95,.46,)|
BDBM50085373 COc1ccc2C3CC(NC(=O)[C@H]4CC[C@H](CNS(=O)(=O)c5ccccc5F)CC4)=NC3CCc2c1 |wU:12.11,wD:15.15,c:31,(-3.57,-4.52,;-3.57,-2.98,;-2.22,-2.21,;-2.22,-.65,;-.89,.12,;.45,-.65,;1.78,.13,;2.1,1.64,;3.65,1.8,;4.42,3.13,;5.95,3.13,;6.72,4.48,;6.73,1.8,;8.26,1.8,;9.03,.46,;8.26,-.87,;9.03,-2.21,;10.58,-2.22,;11.35,-3.55,;10.02,-4.33,;12.68,-2.78,;12.11,-4.89,;11.32,-6.2,;12.09,-7.54,;13.62,-7.54,;14.39,-6.2,;13.63,-4.89,;14.4,-3.54,;6.72,-.87,;5.95,.46,;4.26,.39,;3.12,-.64,;3.12,-2.21,;1.78,-2.98,;.44,-2.2,;-.89,-2.98,)|
BDBM50085374 Oc1ccc2C3CC(NC[C@H]4CC[C@H](CNS(=O)(=O)c5ccccc5)CC4)=NC3CCc2c1 |wU:10.9,wD:13.13,c:28,(-3.57,-2.98,;-2.22,-2.21,;-2.22,-.65,;-.89,.12,;.45,-.65,;1.78,.13,;2.1,1.64,;3.65,1.8,;4.42,3.13,;5.95,3.13,;6.73,1.8,;8.26,1.8,;9.03,.46,;8.26,-.87,;9.03,-2.21,;10.58,-2.22,;11.35,-3.55,;10.02,-4.33,;12.68,-2.78,;12.11,-4.89,;11.32,-6.2,;12.09,-7.54,;13.62,-7.54,;14.39,-6.2,;13.63,-4.89,;6.72,-.87,;5.95,.46,;4.26,.39,;3.12,-.64,;3.12,-2.21,;1.78,-2.98,;.44,-2.2,;-.89,-2.98,)|
BDBM50085375 COc1ccc2C3CC(NC[C@H]4CC[C@H](CNS(=O)(=O)c5ccccc5F)CC4)=NC3CCc2c1 |wU:11.10,wD:14.14,c:30,(-3.57,-4.52,;-3.57,-2.98,;-2.22,-2.21,;-2.22,-.65,;-.89,.12,;.45,-.65,;1.78,.13,;2.1,1.64,;3.65,1.8,;4.42,3.13,;5.95,3.13,;6.73,1.8,;8.26,1.8,;9.03,.46,;8.26,-.87,;9.03,-2.21,;10.58,-2.22,;11.35,-3.55,;10.02,-4.33,;12.68,-2.78,;12.11,-4.89,;11.32,-6.2,;12.09,-7.54,;13.62,-7.54,;14.39,-6.2,;13.63,-4.89,;14.4,-3.54,;6.72,-.87,;5.95,.46,;4.26,.39,;3.12,-.64,;3.12,-2.21,;1.78,-2.98,;.44,-2.2,;-.89,-2.98,)|
BDBM50085377 Clc1ccc2C3CC(NC[C@H]4CC[C@H](CNS(=O)(=O)c5ccccc5)CC4)=NC3CCc2c1 |wU:10.9,wD:13.13,c:28,(-3.57,-2.98,;-2.22,-2.21,;-2.22,-.65,;-.89,.12,;.45,-.65,;1.78,.13,;2.1,1.64,;3.65,1.8,;4.42,3.13,;5.95,3.13,;6.73,1.8,;8.26,1.8,;9.03,.46,;8.26,-.87,;9.03,-2.21,;10.58,-2.22,;11.35,-3.55,;10.02,-4.33,;12.68,-2.78,;12.11,-4.89,;11.32,-6.2,;12.09,-7.54,;13.62,-7.54,;14.39,-6.2,;13.63,-4.89,;6.72,-.87,;5.95,.46,;4.26,.39,;3.12,-.64,;3.12,-2.21,;1.78,-2.98,;.44,-2.2,;-.89,-2.98,)|
BDBM50085378 Oc1ccc2C3CC(NC(=O)[C@H]4CC[C@H](CNS(=O)(=O)c5ccccc5)CC4)=NC3CCc2c1 |wU:11.10,wD:14.14,c:29,(-3.57,-2.98,;-2.22,-2.21,;-2.22,-.65,;-.89,.12,;.45,-.65,;1.78,.13,;2.1,1.64,;3.65,1.8,;4.42,3.13,;5.95,3.13,;6.72,4.48,;6.73,1.8,;8.26,1.8,;9.03,.46,;8.26,-.87,;9.03,-2.21,;10.58,-2.22,;11.35,-3.55,;10.02,-4.33,;12.68,-2.78,;12.11,-4.89,;13.63,-4.89,;14.39,-6.2,;13.62,-7.54,;12.09,-7.54,;11.32,-6.2,;6.72,-.87,;5.95,.46,;4.26,.39,;3.12,-.64,;3.12,-2.21,;1.78,-2.98,;.44,-2.2,;-.89,-2.98,)|
BDBM50085379 COc1ccc2C3CC(NC[C@H]4CC[C@H](CNS(=O)(=O)c5ccccc5)CC4)=NC3CCc2c1 |wU:11.10,wD:14.14,c:29,(-3.57,-4.52,;-3.57,-2.98,;-2.22,-2.21,;-2.22,-.65,;-.89,.12,;.45,-.65,;1.78,.13,;2.1,1.64,;3.65,1.8,;4.42,3.13,;5.95,3.13,;6.73,1.8,;8.26,1.8,;9.03,.46,;8.26,-.87,;9.03,-2.21,;10.58,-2.22,;11.35,-3.55,;10.02,-4.33,;12.68,-2.78,;12.11,-4.89,;13.63,-4.89,;14.39,-6.2,;13.62,-7.54,;12.09,-7.54,;11.32,-6.2,;6.72,-.87,;5.95,.46,;4.26,.39,;3.12,-.64,;3.12,-2.21,;1.78,-2.98,;.44,-2.2,;-.89,-2.98,)|
BDBM50085380 Clc1ccc2C3CC(NC(=O)[C@H]4CC[C@H](CNS(=O)(=O)c5ccccc5)CC4)=NC3CCc2c1 |wU:11.10,wD:14.14,c:29,(-3.57,-2.98,;-2.22,-2.21,;-2.22,-.65,;-.89,.12,;.45,-.65,;1.78,.13,;2.1,1.64,;3.65,1.8,;4.42,3.13,;5.95,3.13,;6.72,4.48,;6.73,1.8,;8.26,1.8,;9.03,.46,;8.26,-.87,;9.03,-2.21,;10.58,-2.22,;11.35,-3.55,;10.02,-4.33,;12.68,-2.78,;12.11,-4.89,;13.63,-4.89,;14.39,-6.2,;13.62,-7.54,;12.09,-7.54,;11.32,-6.2,;6.72,-.87,;5.95,.46,;4.26,.39,;3.12,-.64,;3.12,-2.21,;1.78,-2.98,;.44,-2.2,;-.89,-2.98,)|
BDBM50085381 COc1ccc2C3CC(NC(=O)[C@H]4CC[C@H](CNS(=O)(=O)c5ccccc5)CC4)=NC3CCc2c1 |wU:12.11,wD:15.15,c:30,(-3.57,-4.52,;-3.57,-2.98,;-2.22,-2.21,;-2.22,-.65,;-.89,.12,;.45,-.65,;1.78,.13,;2.1,1.64,;3.65,1.8,;4.42,3.13,;5.95,3.13,;6.72,4.48,;6.73,1.8,;8.26,1.8,;9.03,.46,;8.26,-.87,;9.03,-2.21,;10.58,-2.22,;11.35,-3.55,;10.02,-4.33,;12.68,-2.78,;12.11,-4.89,;11.32,-6.2,;12.09,-7.54,;13.62,-7.54,;14.39,-6.2,;13.63,-4.89,;6.72,-.87,;5.95,.46,;4.26,.39,;3.12,-.64,;3.12,-2.21,;1.78,-2.98,;.44,-2.2,;-.89,-2.98,)|
BDBM50084692 N[C@@H](CCCCNS(=O)(=O)c1ccccc1F)C(=O)NC1CCc2cc(F)ccc2C1Cc1cccnc1
BDBM50084693 Fc1ccc2C(Cc3cccnc3)C(CCc2c1)NC(=O)CN1CC[C@@H](C1)NS(=O)(=O)c1ccccc1
BDBM50084694 Fc1ccc2C(CC=C)C(CCc2c1)NCC1CC[C@H](CNS(=O)(=O)c2ccccc2)CC1 |wD:19.21,(6.76,-15.13,;8.1,-14.4,;8.1,-12.86,;9.44,-12.1,;10.75,-12.86,;12.1,-12.06,;12.1,-10.53,;10.78,-9.76,;10.78,-8.23,;13.44,-12.86,;13.44,-14.4,;12.13,-15.16,;10.75,-14.4,;9.44,-15.16,;14.75,-12.1,;14.78,-10.56,;16.12,-9.79,;16.12,-8.23,;17.47,-7.46,;18.81,-8.23,;20.12,-7.46,;21.46,-8.23,;22.97,-8.13,;24.5,-8.07,;22.9,-6.6,;23.06,-9.67,;24.44,-10.34,;24.56,-11.87,;23.29,-12.74,;21.91,-12.06,;21.78,-10.53,;18.81,-9.79,;17.47,-10.56,)|
BDBM50084695 COc1ccc2C(Cc3cccnc3)C(CCc2c1)NCC1CC[C@H](CNS(=O)(=O)c2ccccc2F)CC1 |wD:24.27,(5.48,-14.31,;6.8,-15.08,;8.12,-14.34,;8.12,-12.81,;9.46,-12.04,;10.78,-12.81,;12.12,-12.02,;12.12,-10.49,;10.8,-9.73,;9.46,-10.51,;8.12,-9.73,;8.12,-8.19,;9.49,-7.42,;10.8,-8.19,;13.46,-12.81,;13.46,-14.34,;12.14,-15.1,;10.78,-14.34,;9.46,-15.1,;14.78,-12.04,;14.78,-10.51,;16.12,-9.75,;16.12,-8.2,;17.46,-7.42,;18.8,-8.2,;20.14,-7.43,;21.44,-8.2,;22.97,-8.1,;24.5,-8.03,;22.88,-6.57,;23.07,-9.63,;21.77,-10.48,;21.89,-12.01,;23.27,-12.69,;24.53,-11.83,;24.42,-10.3,;25.74,-9.53,;18.8,-9.75,;17.49,-10.51,)|
BDBM50084696 COc1ccc2C(Cc3ccccc3)C(CCc2c1)NCC1CC[C@H](CNS(=O)(=O)c2ccc3ccccc3c2)CC1 |wD:24.27,(3.57,-13.67,;4.89,-14.46,;6.23,-13.7,;6.26,-12.17,;7.61,-11.4,;8.93,-12.2,;10.27,-11.43,;10.27,-9.89,;8.98,-9.04,;9.05,-7.5,;7.77,-6.67,;6.38,-7.38,;6.3,-8.93,;7.61,-9.75,;11.59,-12.23,;11.59,-13.79,;10.21,-14.54,;8.89,-13.74,;7.55,-14.51,;12.96,-11.49,;14.27,-12.28,;15.62,-11.52,;15.65,-9.97,;17,-9.21,;18.31,-10.02,;19.67,-9.27,;20.98,-10.08,;22.52,-10.08,;22.13,-8.57,;24.06,-10.08,;23.29,-11.4,;22.51,-12.73,;23.26,-14.06,;24.8,-14.06,;25.57,-15.37,;27.11,-15.37,;27.85,-14.05,;27.08,-12.73,;25.57,-12.73,;24.8,-11.4,;18.28,-11.56,;16.93,-12.33,)|
BDBM50084697 COc1ccc2C(Cc3cccnc3)C(CCc2c1)NCCCCCCNS(=O)(=O)c1ccccc1
BDBM50084698 COc1ccc2C(Cc3cccnc3)C(CCc2c1)NCC1CC[C@H](CNS(=O)(=O)c2ccccc2)CC1 |wD:24.27,(6.45,-11.93,;6.49,-10.39,;7.83,-9.64,;7.83,-8.12,;9.16,-7.36,;10.5,-8.12,;11.84,-7.35,;11.84,-5.81,;10.51,-5.04,;9.16,-5.81,;7.83,-5.04,;7.83,-3.48,;9.19,-2.72,;10.51,-3.48,;13.19,-8.12,;13.19,-9.64,;11.86,-10.42,;10.5,-9.64,;9.16,-10.42,;14.51,-7.36,;14.51,-5.81,;15.86,-5.04,;15.86,-3.49,;17.2,-2.72,;18.54,-3.49,;19.89,-2.74,;21.2,-3.49,;22.73,-3.39,;24.27,-3.32,;22.63,-1.87,;22.82,-4.94,;21.53,-5.78,;21.65,-7.32,;23.05,-8,;24.3,-7.15,;24.2,-5.62,;18.54,-5.04,;17.24,-5.81,)|
BDBM50084699 Oc1ccc2C(Cc3cccnc3)C(CCc2c1)NCC1CC[C@H](CNS(=O)(=O)c2ccccc2F)CC1 |wD:23.26,(1.62,-9.72,;2.94,-8.96,;2.94,-7.46,;4.28,-6.67,;5.59,-7.43,;6.95,-6.66,;6.95,-5.13,;5.62,-4.36,;4.28,-5.14,;2.94,-4.36,;2.94,-2.84,;4.3,-2.07,;5.62,-2.84,;8.28,-7.43,;8.28,-8.98,;6.96,-9.75,;5.59,-8.98,;4.28,-9.75,;9.59,-6.67,;9.6,-5.14,;10.94,-4.38,;10.94,-2.84,;12.28,-2.07,;13.62,-2.84,;14.94,-2.07,;16.26,-2.84,;17.78,-2.74,;19.31,-2.66,;17.69,-1.21,;17.87,-4.27,;16.6,-5.11,;16.71,-6.66,;18.1,-7.33,;19.35,-6.47,;19.24,-4.94,;20.55,-4.17,;13.62,-4.38,;12.3,-5.14,)|
BDBM50084700 COc1ccc2C(Cc3cccnc3)C(CCc2c1)NC(=O)C1CC[C@H](CNS(=O)(=O)c2ccccc2)CC1 |wD:25.28,(5.13,-14.75,;5.16,-13.23,;6.53,-12.47,;6.53,-10.96,;7.86,-10.17,;9.18,-10.92,;10.54,-10.17,;10.54,-8.64,;9.22,-7.86,;7.86,-8.64,;6.53,-7.86,;6.53,-6.32,;7.89,-5.55,;9.22,-6.32,;11.88,-10.92,;11.88,-12.47,;10.56,-13.26,;9.18,-12.47,;7.86,-13.26,;13.2,-10.17,;13.21,-8.64,;11.88,-7.86,;14.56,-7.86,;14.56,-6.32,;15.9,-5.55,;17.23,-6.32,;18.55,-5.57,;19.89,-6.32,;21.41,-6.22,;21.32,-4.7,;22.93,-6.13,;21.5,-7.77,;22.86,-8.44,;22.99,-9.98,;21.73,-10.83,;20.34,-10.15,;20.23,-8.61,;17.23,-7.86,;15.91,-8.64,)|
BDBM50084701 Fc1ccc2C(Cc3cccnc3)C(CCc2c1)NC(=O)CN1CCC(CC1)NS(=O)(=O)c1ccccc1
BDBM50084702 Fc1ccc2C(CC=C)C(CCc2c1)NC(=O)C1CC[C@H](CNS(=O)(=O)c2ccccc2)CC1 |wD:20.22,(1.32,-9.91,;2.66,-9.17,;2.66,-7.63,;4,-6.86,;5.33,-7.63,;6.67,-6.83,;6.67,-5.29,;5.35,-4.53,;5.35,-2.99,;8.02,-7.63,;8.02,-9.17,;6.69,-9.94,;5.33,-9.17,;4,-9.94,;9.33,-6.86,;9.35,-5.33,;8.02,-4.56,;10.69,-4.56,;10.69,-2.99,;12.04,-2.22,;13.38,-2.99,;14.71,-2.22,;16.04,-2.99,;17.56,-2.89,;17.48,-1.36,;19.1,-2.83,;17.65,-4.43,;16.37,-5.29,;16.49,-6.83,;17.88,-7.5,;19.15,-6.64,;19.03,-5.1,;13.38,-4.56,;12.05,-5.33,)|
BDBM50084703 Fc1ccc2C(Cc3cccnc3)C(CCc2c1)NC(=O)C1CC[C@H](CNS(=O)(=O)c2ccccc2F)CC1 |wD:24.27,(2.62,-9.21,;3.93,-8.47,;3.93,-6.94,;5.26,-6.18,;6.6,-6.94,;7.94,-6.15,;7.94,-4.63,;6.6,-3.86,;5.26,-4.65,;3.93,-3.86,;3.93,-2.32,;5.3,-1.56,;6.6,-2.32,;9.27,-6.94,;9.27,-8.47,;7.94,-9.23,;6.6,-8.47,;5.26,-9.23,;10.58,-6.18,;10.58,-4.65,;9.27,-3.88,;11.92,-3.88,;11.92,-2.33,;13.25,-1.56,;14.59,-2.33,;15.93,-1.57,;17.23,-2.33,;18.76,-2.24,;18.67,-.71,;20.29,-2.16,;18.86,-3.77,;17.58,-4.62,;17.68,-6.14,;19.08,-6.82,;20.32,-5.96,;20.23,-4.44,;21.53,-3.66,;14.59,-3.88,;13.29,-4.65,)|
BDBM50084704 Fc1ccc2C(Cc3cccnc3)C(CCc2c1)NC(=O)CN1CCC(C1)NS(=O)(=O)c1ccccc1
BDBM50084705 Fc1ccc2C(Cc3cccnc3)C(CCc2c1)NC(=O)C1CC[C@H](CNS(=O)(=O)c2ccccc2)CC1 |wD:24.27,(2.36,-10.9,;3.68,-10.15,;3.68,-8.61,;5.03,-7.84,;6.36,-8.61,;7.7,-7.83,;7.7,-6.29,;6.36,-5.52,;5.03,-6.29,;3.68,-5.52,;3.68,-3.97,;5.06,-3.2,;6.36,-3.97,;9.03,-8.61,;9.03,-10.15,;7.71,-10.9,;6.36,-10.15,;5.03,-10.9,;10.38,-7.84,;10.38,-6.29,;9.03,-5.54,;11.71,-5.54,;11.71,-4,;13.06,-3.2,;14.4,-4,;15.74,-3.22,;17.06,-4,;18.59,-3.9,;18.5,-2.36,;20.12,-3.81,;18.69,-5.42,;17.4,-6.26,;17.51,-7.81,;18.89,-8.51,;20.15,-7.64,;20.05,-6.1,;14.4,-5.54,;13.09,-6.29,)|
BDBM50084706 Fc1ccc2C(Cc3cccnc3)C(CCc2c1)NC(=O)CN1CC[C@H](C1)NS(=O)(=O)c1ccccc1
BDBM50084707 COc1ccc2C(Cc3cccnc3)C(CCc2c1)NC(=O)C1CC[C@H](CNS(=O)(=O)c2ccccc2F)CC1 |wD:25.28,(-.35,-8.39,;.97,-9.19,;2.3,-8.42,;2.3,-6.89,;3.65,-6.12,;4.97,-6.89,;6.31,-6.12,;6.31,-4.59,;4.99,-3.82,;3.65,-4.59,;2.3,-3.82,;2.3,-2.25,;3.68,-1.48,;4.99,-2.25,;7.66,-6.89,;7.66,-8.42,;6.33,-9.19,;4.97,-8.42,;3.65,-9.19,;8.99,-6.12,;8.99,-4.59,;7.66,-3.82,;10.33,-3.82,;10.33,-2.28,;11.68,-1.48,;13.02,-2.28,;14.36,-1.51,;15.68,-2.28,;17.21,-2.19,;17.11,-.65,;18.75,-2.09,;17.31,-3.72,;16.01,-4.55,;16.12,-6.09,;17.51,-6.79,;18.78,-5.93,;18.66,-4.39,;19.99,-3.59,;13.02,-3.82,;11.71,-4.59,)|
BDBM50084708 COc1ccc2C(Cc3cccnc3)C(CCc2c1)NCC1CC[C@H](CNS(=O)(=O)c2ccc3ccccc3c2)CC1 |wD:24.27,(3.47,-13.64,;4.79,-14.42,;6.13,-13.68,;6.16,-12.12,;7.5,-11.38,;8.81,-12.16,;10.15,-11.39,;10.18,-9.85,;8.87,-9.02,;7.52,-9.72,;6.22,-8.9,;6.28,-7.34,;7.66,-6.64,;8.97,-7.47,;11.51,-12.19,;11.48,-13.75,;10.12,-14.5,;8.81,-13.71,;7.47,-14.47,;12.86,-11.46,;14.16,-12.25,;15.52,-11.49,;15.56,-9.95,;16.9,-9.19,;18.21,-9.99,;19.57,-9.24,;20.88,-10.04,;22.42,-10.04,;22.01,-8.55,;23.95,-10.04,;23.19,-11.38,;22.39,-12.7,;23.15,-14.03,;24.68,-14.03,;25.45,-15.34,;26.98,-15.34,;27.75,-14.01,;26.98,-12.7,;25.45,-12.7,;24.71,-11.38,;18.18,-11.54,;16.84,-12.28,)|
BDBM50084709 Fc1ccc2C(Cc3cccnc3)C(CCc2c1)NCC1CC[C@H](CNS(=O)(=O)c2ccccc2F)CC1 |wD:23.26,(6.13,-15.08,;7.46,-14.34,;7.46,-12.81,;8.79,-12.04,;10.11,-12.81,;11.45,-12.02,;11.45,-10.49,;10.13,-9.73,;8.79,-10.51,;7.46,-9.73,;7.46,-8.19,;8.83,-7.42,;10.13,-8.19,;12.79,-12.81,;12.79,-14.34,;11.47,-15.1,;10.11,-14.34,;8.79,-15.1,;14.11,-12.04,;14.11,-10.51,;15.45,-9.75,;15.45,-8.2,;16.79,-7.42,;18.13,-8.2,;19.47,-7.43,;20.77,-8.2,;22.3,-8.1,;23.83,-8.03,;22.21,-6.57,;22.4,-9.63,;21.1,-10.48,;21.22,-12.01,;22.6,-12.69,;23.86,-11.83,;23.75,-10.3,;25.07,-9.53,;18.13,-9.75,;16.82,-10.51,)|
BDBM50084710 Fc1ccc2C(Cc3cccnc3)C(CCc2c1)NCC1CC[C@H](CNS(=O)(=O)c2ccccc2)CC1 |wD:23.26,(-2.38,-10.35,;-1.07,-9.6,;-1.07,-8.04,;.27,-7.29,;1.61,-8.04,;2.95,-7.28,;2.95,-5.75,;1.61,-4.97,;.27,-5.76,;-1.07,-4.97,;-1.07,-3.41,;.3,-2.66,;1.61,-3.41,;4.29,-8.04,;4.29,-9.6,;2.97,-10.36,;1.61,-9.6,;.27,-10.36,;5.63,-7.29,;5.63,-5.76,;6.96,-4.97,;6.96,-3.44,;8.3,-2.66,;9.64,-3.44,;10.98,-2.68,;12.31,-3.44,;13.84,-3.34,;15.38,-3.26,;13.74,-1.81,;13.94,-4.87,;15.29,-5.55,;15.41,-7.08,;14.15,-7.94,;12.74,-7.26,;12.64,-5.72,;9.64,-4.97,;8.34,-5.76,)|
BDBM50084711 COc1ccc2C(Cc3ccccc3)C(CCc2c1)NCCc1ccc(OC)c(OC)c1
BDBM50084712 Oc1ccc2C(CC=C)C(CCc2c1)NCC1CC[C@H](CNS(=O)(=O)c2ccccc2)CC1 |wD:19.21,(-2.77,-9.57,;-1.43,-8.84,;-1.43,-7.3,;-.09,-6.53,;1.23,-7.3,;2.57,-6.5,;2.57,-4.97,;1.26,-4.2,;1.26,-2.66,;3.91,-7.3,;3.91,-8.84,;2.6,-9.6,;1.23,-8.84,;-.09,-9.6,;5.22,-6.53,;5.25,-5,;6.6,-4.23,;6.6,-2.66,;7.94,-1.9,;9.28,-2.66,;10.59,-1.9,;11.94,-2.66,;13.44,-2.57,;14.97,-2.5,;13.38,-1.03,;13.54,-4.1,;14.91,-4.77,;15.04,-6.31,;13.76,-7.17,;12.38,-6.5,;12.26,-4.97,;9.28,-4.23,;7.94,-5,)|
BDBM50084713 N[C@@H](CCCCNS(=O)(=O)c1ccccc1F)CNC1CCc2cc(O)ccc2C1Cc1cccnc1
BDBM50090393 Fc1ccc2C(Cc3cccnc3)C(CCc2c1)NC(=O)[C@H]1CC[C@H](CNC(=O)Nc2ccccc2)CC1 |wU:21.23,wD:24.27,(-.65,-10.39,;.7,-9.64,;.71,-8.1,;2.04,-7.33,;3.37,-8.1,;4.71,-7.36,;4.72,-5.82,;3.38,-5.05,;3.38,-3.51,;2.04,-2.74,;.73,-3.51,;.73,-5.05,;2.04,-5.82,;6.03,-8.13,;6.03,-9.67,;4.67,-10.44,;3.36,-9.64,;2.03,-10.41,;7.37,-7.36,;8.7,-8.13,;8.7,-9.67,;10.04,-7.36,;10.04,-5.84,;11.39,-5.07,;12.72,-5.84,;14.05,-5.09,;15.38,-5.86,;16.73,-5.12,;16.74,-3.58,;18.04,-5.89,;19.4,-5.12,;19.4,-3.6,;20.73,-2.83,;22.06,-3.6,;22.06,-5.14,;20.72,-5.91,;12.7,-7.38,;11.37,-8.15,)|
BDBM50090394 Fc1ccc2C(Cc3cccnc3)C(CCc2c1)NC(=O)CN1CCC(CC1)NC(=O)Nc1ccccc1
BDBM50090395 Oc1ccc2C(Cc3cccnc3)C(CCc2c1)NC(=O)CN1CCC(CC1)n1c2ccccc2[nH]c1=O
BDBM50090396 Fc1ccc2C(Cc3cccnc3)C(CCc2c1)NC(=O)[C@H]1CC[C@H](CNC(=O)Oc2ccccc2)CC1 |wU:21.23,wD:24.27,(-.63,-10.39,;.71,-9.64,;.72,-8.1,;2.05,-7.33,;3.38,-8.1,;4.72,-7.36,;4.74,-5.82,;3.39,-5.05,;3.39,-3.51,;2.05,-2.74,;.75,-3.51,;.75,-5.05,;2.05,-5.82,;6.04,-8.13,;6.04,-9.67,;4.7,-10.44,;3.37,-9.64,;2.04,-10.41,;7.38,-7.36,;8.71,-8.13,;8.71,-9.67,;10.06,-7.36,;10.06,-5.84,;11.39,-5.07,;12.74,-5.84,;14.07,-5.09,;15.4,-5.86,;16.74,-5.12,;16.75,-3.58,;18.06,-5.89,;19.39,-5.12,;19.37,-3.58,;20.68,-2.78,;22.03,-3.55,;22.05,-5.09,;20.72,-5.86,;12.72,-7.38,;11.39,-8.15,)|
BDBM50090397 CC(C)(C)OC(=O)NC1CCN(CC(=O)NC2CCc3cc(F)ccc3C2Cc2cccnc2)CC1
BDBM50090398 CC(C)(C)OC(=O)NC[C@H]1CC[C@@H](CC1)C(=O)NC1CCc2cc(F)ccc2C1Cc1cccnc1 |wU:12.15,wD:9.8,(21.38,-5.91,;20.07,-5.12,;20.07,-3.58,;20.45,-6.61,;18.7,-5.89,;17.39,-5.12,;17.41,-3.58,;16.05,-5.86,;14.72,-5.09,;13.39,-5.84,;12.05,-5.07,;10.71,-5.84,;10.71,-7.36,;12.04,-8.15,;13.37,-7.38,;9.36,-8.13,;9.36,-9.67,;8.03,-7.36,;6.7,-8.13,;6.7,-9.67,;5.35,-10.44,;4.02,-9.64,;2.69,-10.41,;1.36,-9.64,;.02,-10.39,;1.38,-8.1,;2.71,-7.33,;4.04,-8.1,;5.37,-7.36,;5.39,-5.82,;4.04,-5.05,;4.04,-3.51,;2.71,-2.74,;1.4,-3.51,;1.4,-5.05,;2.71,-5.82,)|
BDBM50090399 COc1ccc2C(Cc3cccnc3)C(CCc2c1)NC(=O)CN1CCC(CC1)n1c2ccccc2[nH]c1=O
BDBM50090400 Fc1ccc2C(Cc3cccnc3)C(CCc2c1)NC(=O)CN1CCC(CC1)NC(=O)Oc1ccccc1
BDBM50090401 CC(C)(C)OC(=O)N[C@@H]1CCN(CC(=O)NC2CCc3cc(F)ccc3C2Cc2cccnc2)C1
BDBM50090402 Fc1ccc2C(Cc3cccnc3)C(CCc2c1)NC(=O)CN1CCC(CC1)n1c2ccccc2[nH]c1=O
BDBM50090403 CC(C)(C)OC(=O)N[C@H]1CCN(CC(=O)NC2CCc3cc(F)ccc3C2Cc2cccnc2)C1
BDBM50090404 CC(C)(C)OC(=O)NC1CCN(CC(=O)NC2CCc3cc(F)ccc3C2Cc2cccnc2)C1
BDBM50090405 CC(C)(C)NC(=O)NC1CCN(CC(=O)NC2CCc3cc(F)ccc3C2Cc2cccnc2)CC1
BDBM50091668 CC(C)C[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](C)NC(C)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O
BDBM50090272 NC(=N)NCCCC(NC(=O)C(c1ccccc1)c1ccccc1)C(=O)N[C@@H](C(N)=O)c1ccccc1
BDBM50090274 NC(=N)NCCCC(NC(=O)C(c1ccccc1)c1ccc(Cl)cc1)C(=O)NCc1ccccc1
BDBM50090276 NC(=N)NCCCC(NC(=O)C(c1ccccc1)c1ccccc1)C(=O)N[C@H](CO)c1ccccc1
BDBM50090277 NC(=N)NCCCC(NC(=O)C(c1ccccc1)c1ccccc1)C(=O)N1CCCc2cc(O)ccc2C1
BDBM50090281 CC(NC(=O)C(CCCNC(N)=N)NC(=O)C(c1ccccc1)c1ccccc1)c1ccc(O)cc1
BDBM50090282 Oc1ccc2CN(CCCc2c1)C(=O)C(CCCNC(=N)NCCCc1ccccc1)NC(=O)Cc1ccc(cc1)-c1ccccc1
BDBM50090288 C[C@@H](NC(=O)C(CCCNC(N)=N)NC(=O)C(c1ccccc1)c1ccccc1)c1ccccc1
BDBM50090387 Fc1ccc2C(Cc3cccnc3)C(CCc2c1)NC(=O)[C@H]1CC[C@H](CNC(=O)Cc2ccccc2)CC1 |wU:21.23,wD:24.27,(-.63,-10.39,;.71,-9.64,;.72,-8.1,;2.05,-7.33,;3.38,-8.1,;4.72,-7.36,;4.74,-5.82,;3.39,-5.05,;3.39,-3.51,;2.05,-2.74,;.75,-3.51,;.75,-5.05,;2.05,-5.82,;6.04,-8.13,;6.04,-9.67,;4.7,-10.44,;3.37,-9.64,;2.04,-10.41,;7.38,-7.36,;8.71,-8.13,;8.71,-9.67,;10.06,-7.36,;10.06,-5.84,;11.39,-5.07,;12.74,-5.84,;14.07,-5.09,;15.4,-5.86,;16.74,-5.12,;16.75,-3.58,;18.06,-5.89,;19.39,-5.12,;19.37,-3.58,;20.68,-2.78,;22.03,-3.55,;22.05,-5.09,;20.72,-5.86,;12.72,-7.38,;11.39,-8.15,)|
BDBM50090388 Fc1ccc2C(Cc3cccnc3)C(CCc2c1)NC(=O)CN1CC[C@@H](C1)NC(=O)c1ccccc1
BDBM50090389 Fc1ccc2C(Cc3cccnc3)C(CCc2c1)NC(=O)CN1CCC(CC1)NC(=O)Cc1ccccc1
BDBM50090390 O=C(CN1CCC(CC1)n1c2ccccc2[nH]c1=O)NC1CCc2ccccc2C1Cc1cccnc1
BDBM50090391 Fc1ccc2C(Cc3cccnc3)C(CCc2c1)NC(=O)[C@H]1CC[C@H](CNC(=O)c2ccccc2)CC1 |wU:21.23,wD:24.27,(.03,-10.39,;1.38,-9.64,;1.38,-8.1,;2.71,-7.33,;4.04,-8.1,;5.39,-7.36,;5.4,-5.82,;4.06,-5.05,;4.06,-3.51,;2.71,-2.74,;1.41,-3.51,;1.41,-5.05,;2.71,-5.82,;6.7,-8.13,;6.7,-9.67,;5.37,-10.44,;4.04,-9.64,;2.71,-10.41,;8.05,-7.36,;9.38,-8.13,;9.38,-9.67,;10.72,-7.36,;10.72,-5.84,;12.06,-5.07,;13.4,-5.84,;14.73,-5.09,;16.06,-5.86,;17.41,-5.12,;17.41,-3.58,;18.72,-5.89,;18.7,-7.43,;20.04,-8.2,;21.38,-7.45,;21.38,-5.89,;20.05,-5.12,;13.38,-7.38,;12.05,-8.15,)|
BDBM50090392 Fc1ccc2C(Cc3cccnc3)C(CCc2c1)NC(=O)CN1CCC(CC1)NC(=O)c1ccccc1
BDBM50090271 NC(=N)NCCCC(NC(=O)C(c1ccccc1)c1ccc(Cl)cc1)C(=O)N[C@H]1CCc2ccccc12
BDBM50089070 Cc1ccc(cc1)S(=O)(=O)NC[C@H]1CC[C@@H](CC1)Nc1nc(Nc2ccccc2)c2ccccc2n1 |wU:15.19,wD:12.12,(17.79,-13.14,;17.4,-11.66,;18.48,-10.56,;18.07,-9.09,;16.61,-8.7,;15.52,-9.79,;15.91,-11.26,;16.21,-7.22,;14.86,-7.98,;17.62,-7.38,;16.21,-5.68,;14.86,-4.91,;13.54,-5.68,;12.19,-4.91,;10.86,-5.68,;10.87,-7.23,;12.21,-7.98,;13.54,-7.22,;9.54,-8.01,;8.21,-7.23,;8.19,-5.68,;6.86,-4.91,;6.84,-3.38,;8.17,-2.59,;8.16,-1.07,;9.49,-.29,;10.83,-1.05,;10.84,-2.59,;9.51,-3.37,;5.53,-5.7,;4.19,-4.93,;2.86,-5.7,;2.86,-7.24,;4.19,-8.02,;5.53,-7.24,;6.87,-8.01,)|
BDBM50089031 CN(C[C@H]1CC[C@@H](CC1)Nc1nc(Nc2ccc(Cl)cc2)c2ccccc2n1)C(=O)c1ccccc1 |wU:6.9,wD:3.2,(18.77,-3.23,;17.43,-4.02,;16.1,-3.23,;14.77,-4.02,;13.43,-3.23,;12.1,-4.02,;12.1,-5.56,;13.44,-6.32,;14.77,-5.56,;10.78,-6.34,;9.43,-5.57,;9.43,-4.02,;8.09,-3.26,;8.09,-1.73,;9.41,-.94,;10.73,-1.72,;12.07,-.94,;12.06,.6,;13.4,1.39,;10.71,1.36,;9.39,.58,;6.76,-4.04,;5.43,-3.27,;4.09,-4.04,;4.09,-5.58,;5.43,-6.36,;6.76,-5.58,;8.11,-6.35,;17.43,-5.56,;16.1,-6.32,;18.77,-6.31,;20.09,-5.53,;21.43,-6.3,;21.44,-7.85,;20.1,-8.62,;18.77,-7.85,)|
BDBM50089032 CN(C[C@H]1CC[C@@H](CC1)Nc1nc(Nc2ccc(Cl)cc2)c2ccccc2n1)C(C)=O |wU:6.9,wD:3.2,(15.46,-3.75,;14.14,-4.52,;12.79,-3.76,;11.46,-4.52,;10.13,-3.76,;8.78,-4.54,;8.8,-6.08,;10.13,-6.84,;11.46,-6.08,;7.46,-6.85,;6.12,-6.08,;6.11,-4.54,;4.77,-3.78,;4.76,-2.23,;6.1,-1.45,;7.43,-2.22,;8.76,-1.44,;8.75,.11,;10.09,.88,;7.4,.86,;6.08,.09,;3.44,-4.55,;2.1,-3.78,;.77,-4.55,;.77,-6.11,;2.1,-6.87,;3.44,-6.1,;4.78,-6.87,;14.14,-6.08,;15.48,-6.83,;12.8,-6.84,)|
BDBM50089033 Nc1nc(NCC2CCCC(CNS(=O)(=O)c3cccc4ccccc34)C2)nc2ccccc12
BDBM50089034 Clc1ccc(Nc2nc(Nc3ccccc3)c3ccccc3n2)cc1Cl
BDBM50089035 COc1cc2nc(nc(N)c2cc1OC)N1CCC(CC1)N1Cc2ccccc2C1=O
BDBM50089036 Nc1nc(NCC[C@H]2CC[C@H](CNS(=O)(=O)c3cccc4ccccc34)CC2)nc2ccccc12 |wU:7.6,wD:10.10,(3.44,-3.9,;3.45,-5.44,;4.79,-6.21,;4.81,-7.77,;6.14,-8.54,;7.47,-7.77,;8.56,-8.87,;9.89,-8.1,;9.89,-6.56,;11.23,-5.79,;12.56,-6.56,;13.91,-5.79,;15.22,-6.58,;16.55,-7.35,;16.54,-5.81,;16.54,-8.89,;18.08,-7.35,;18.43,-5.86,;19.9,-5.4,;21.03,-6.44,;20.7,-7.94,;21.82,-8.98,;21.49,-10.48,;20,-10.94,;18.88,-9.89,;19.23,-8.4,;12.55,-8.1,;11.22,-8.87,;3.46,-8.55,;2.12,-7.77,;.77,-8.56,;-.56,-7.78,;-.56,-6.23,;.77,-5.46,;2.12,-6.23,)|
BDBM50089037 Nc1nc(NCCCCCCCCNS(=O)(=O)c2cccc3ccccc23)nc2ccccc12
BDBM50089038 Nc1nc(NC[C@H]2CC[C@H](CNS(=O)(=O)c3cccc4ccccc34)CC2)nc2ccccc12 |wU:6.5,wD:9.9,(2.92,.42,;2.94,-1.13,;4.28,-1.89,;4.29,-3.44,;5.63,-4.22,;6.96,-3.45,;8.29,-4.21,;9.63,-3.44,;10.96,-4.22,;10.95,-5.76,;12.28,-6.54,;13.77,-6.13,;14.86,-7.21,;13.98,-8.47,;15.7,-5.91,;16.12,-8.05,;17.24,-7,;18.73,-7.45,;19.09,-8.94,;17.97,-9.99,;18.33,-11.48,;17.22,-12.56,;15.73,-12.11,;15.38,-10.62,;16.49,-9.56,;9.62,-6.51,;8.29,-5.75,;2.95,-4.23,;1.61,-3.45,;.26,-4.23,;-1.07,-3.46,;-1.07,-1.9,;.26,-1.13,;1.61,-1.9,)|
BDBM50089039 NCCCCNc1nc(N)c2cc(ccc2n1)-c1ccccc1
BDBM50089040 N(c1ccccc1)c1nc(Nc2ccccc2)c2ccccc2n1
BDBM50089041 O=S(=O)(N1CCC(CNCc2ccc3ccccc3c2)CC1)c1cccc2ccccc12
BDBM50089042 CC(=O)NC[C@H]1CC[C@@H](CC1)Nc1nc(Nc2ccc(Cl)cc2)c2ccccc2n1 |wU:8.11,wD:5.4,(15.06,-7.1,;13.73,-6.33,;12.4,-7.1,;13.73,-4.79,;12.39,-4.02,;11.06,-4.79,;9.71,-4.02,;8.38,-4.81,;8.4,-6.35,;9.73,-7.1,;11.06,-6.33,;7.07,-7.12,;5.72,-6.35,;5.72,-4.81,;4.37,-4.04,;4.37,-2.5,;5.7,-1.73,;7.03,-2.5,;8.36,-1.71,;8.35,-.17,;9.68,.6,;7.01,.58,;5.68,-.19,;3.06,-4.81,;1.71,-4.04,;.38,-4.81,;.38,-6.37,;1.71,-7.14,;3.06,-6.35,;4.39,-7.12,)|
BDBM50089043 Nc1nc(NCCC2CCN(CC2)S(=O)(=O)c2cccc3ccccc23)nc2ccccc12
BDBM50089044 CCOP(=O)(Cc1ccc(Nc2nc(Nc3ccccc3)c3ccccc3n2)cc1)OCC
BDBM50089045 Nc1nc(NCCCCCCCNS(=O)(=O)c2cccc3ccccc23)nc2ccccc12
BDBM50089046 O=S(=O)(NC[C@H]1CC[C@H](CNCc2ccc3ccccc3c2)CC1)c1ccc2ccccc2c1 |wU:8.8,wD:5.4,(14.76,-4.11,;14.78,-5.65,;14.76,-7.18,;13.46,-4.87,;12.12,-5.62,;10.79,-4.85,;10.81,-3.3,;9.47,-2.51,;8.15,-3.28,;6.82,-2.49,;5.48,-3.25,;4.15,-2.49,;2.82,-3.25,;2.82,-4.79,;1.48,-5.55,;.15,-4.78,;-1.18,-5.55,;-2.5,-4.78,;-2.5,-3.23,;-1.18,-2.47,;.15,-3.23,;1.48,-2.47,;8.13,-4.83,;9.45,-5.6,;16.13,-4.9,;16.13,-3.36,;17.48,-2.61,;18.8,-3.4,;20.15,-2.65,;21.47,-3.44,;21.45,-4.99,;20.09,-5.74,;18.78,-4.94,;17.46,-5.68,)|
BDBM50089047 C1CCC(CC1)Nc1nc(Nc2ccccc2)c2ccccc2n1
BDBM50089048 CN(C)S(=O)(=O)Cc1ccc(Nc2nc(Nc3ccccc3)c3ccccc3n2)cc1
BDBM50089049 CNC[C@H]1CC[C@@H](CC1)Nc1nc(Nc2ccc(Cl)cc2)c2ccccc2n1 |wU:6.9,wD:3.2,(15.4,-6.98,;15.4,-5.44,;14.07,-4.67,;12.72,-5.44,;11.39,-4.67,;10.06,-5.46,;10.06,-7,;11.41,-7.75,;12.72,-6.98,;8.73,-7.77,;7.4,-7.01,;7.4,-5.46,;6.05,-4.7,;6.05,-3.16,;7.38,-2.38,;8.71,-3.15,;10.04,-2.36,;10.03,-.82,;11.36,-.05,;8.69,-.05,;7.36,-.85,;4.74,-5.47,;3.39,-4.7,;2.06,-5.47,;2.06,-7.02,;3.39,-7.79,;4.74,-7.01,;6.07,-7.78,)|
BDBM50089050 C1CCC(CC1)c1ccc(Nc2nc(Nc3ccccc3)c3ccccc3n2)cc1
BDBM50089051 CN(C[C@H]1CC[C@H](CNc2nc(N)c3ccccc3n2)CC1)S(=O)(=O)c1cccc2ccccc12 |wU:6.6,wD:3.2,(11.05,-6.14,;11.27,-4.67,;9.78,-5.07,;8.45,-4.3,;8.47,-2.76,;7.14,-1.98,;5.79,-2.75,;4.46,-1.99,;3.13,-2.75,;1.78,-1.98,;1.78,-.43,;.43,.34,;.43,1.88,;-.9,-.44,;-2.24,.33,;-3.58,-.44,;-3.58,-1.99,;-2.24,-2.78,;-.9,-1.99,;.45,-2.76,;5.79,-4.29,;7.12,-5.06,;12.6,-5.44,;12.58,-3.9,;12.58,-6.98,;14.13,-5.44,;14.47,-3.94,;15.95,-3.48,;17.08,-4.53,;16.73,-6.02,;17.86,-7.07,;17.52,-8.57,;16.05,-9.03,;14.93,-7.98,;15.26,-6.48,)|
BDBM50089052 O=C(O[C@H]1CC[C@@H](CC1)Nc1nc(Nc2ccccc2)c2ccccc2n1)c1ccccc1 |wU:6.9,wD:3.2,(17.99,-6.34,;16.66,-7.1,;15.32,-6.35,;13.99,-7.13,;12.66,-6.35,;11.31,-7.13,;11.34,-8.68,;12.66,-9.43,;13.99,-8.66,;9.99,-9.45,;8.66,-8.68,;8.66,-7.13,;7.31,-6.36,;7.31,-4.82,;8.64,-4.03,;8.62,-2.51,;9.94,-1.73,;11.29,-2.49,;11.29,-4.03,;9.96,-4.82,;5.99,-7.14,;4.64,-6.37,;3.31,-7.14,;3.31,-8.69,;4.64,-9.47,;5.99,-8.69,;7.34,-9.45,;16.66,-8.64,;17.99,-9.4,;18.01,-10.92,;16.69,-11.71,;15.34,-10.94,;15.34,-9.41,)|
BDBM50089053 Nc1nc(NCc2ccc(CNS(=O)(=O)c3cccc4ccccc34)cc2)nc2ccccc12
BDBM50089054 COc1ccc(Nc2nc(Nc3ccccc3)c3ccccc3n2)cc1
BDBM50089055 CCS(=O)(=O)Cc1ccc(Nc2nc(Nc3ccccc3)c3ccccc3n2)cc1
BDBM50089056 Clc1ccc(Nc2nc(N[C@H]3CC[C@H](CNC(=O)c4ccccc4)CC3)nc3ccccc23)cc1 |wU:10.9,wD:13.13,(8.69,-.68,;7.36,-1.47,;7.37,-3.01,;6.04,-3.79,;4.71,-3.02,;3.38,-3.79,;3.39,-5.33,;4.72,-6.1,;4.74,-7.64,;6.07,-8.41,;7.4,-7.64,;7.38,-6.1,;8.73,-5.32,;10.06,-6.09,;11.39,-5.32,;12.72,-6.09,;12.72,-7.63,;11.39,-8.4,;14.07,-8.38,;15.38,-7.61,;16.71,-8.38,;16.73,-9.92,;15.4,-10.69,;14.05,-9.92,;10.06,-7.63,;8.73,-8.4,;3.41,-8.41,;2.06,-7.65,;.73,-8.43,;-.6,-7.66,;-.6,-6.11,;.73,-5.34,;2.06,-6.11,;4.7,-1.49,;6.02,-.71,)|
BDBM50089057 Cc1ccc(Nc2nc(Nc3ccccc3)c3ccccc3n2)cc1
BDBM50089058 Nc1nc(NCCCCCCNS(=O)(=O)c2cccc3ccccc23)nc2ccccc12
BDBM50089059 Nc1nc(NCc2cccc(CNS(=O)(=O)c3cccc4ccccc34)c2)nc2ccccc12
BDBM50089060 Nc1nc(N[C@H]2CC[C@H](CNS(=O)(=O)c3cccc4ccccc34)CC2)nc2ccccc12 |wU:5.4,wD:8.8,(4.65,-3.89,;4.65,-5.44,;6,-6.2,;6,-7.77,;7.33,-8.54,;8.68,-7.77,;8.66,-6.23,;10.01,-5.46,;11.34,-6.23,;12.67,-5.48,;14,-6.25,;15.33,-7.02,;15.31,-5.48,;15.31,-8.56,;16.87,-7.02,;17.2,-5.51,;18.69,-5.07,;19.81,-6.11,;19.46,-7.61,;20.6,-8.65,;20.25,-10.15,;18.78,-10.61,;17.66,-9.56,;17.99,-8.05,;11.34,-7.77,;10.01,-8.54,;4.67,-8.54,;3.32,-7.77,;1.97,-8.56,;.64,-7.77,;.64,-6.23,;1.97,-5.46,;3.32,-6.23,)|
BDBM50089061 CCCCN(CCCC)CCCNc1nc(Nc2cccc(c2)C(F)(F)F)c2ccccc2n1
BDBM50089062 COc1cc2nc(nc(N)c2cc1OC)N1CCC(CC1)N1C(=O)CC(CC1=O)C1CCCCC1
BDBM50089063 CC(=O)O[C@H]1CC[C@@H](CC1)Nc1nc(Nc2ccccc2)c2ccccc2n1 |wU:7.10,wD:4.3,(16.66,-8.87,;16.66,-7.34,;17.99,-6.57,;15.34,-6.58,;13.99,-7.36,;12.66,-6.58,;11.31,-7.36,;11.34,-8.91,;12.66,-9.66,;13.99,-8.89,;9.99,-9.68,;8.66,-8.91,;8.66,-7.36,;7.31,-6.59,;7.31,-5.06,;8.64,-4.26,;8.61,-2.74,;9.94,-1.96,;11.29,-2.72,;11.29,-4.26,;9.96,-5.05,;5.99,-7.37,;4.64,-6.61,;3.31,-7.37,;3.31,-8.92,;4.64,-9.7,;5.99,-8.92,;7.34,-9.68,)|
BDBM50089064 CN(C[C@H]1CC[C@H](CN(C)S(=O)(=O)c2cccc3ccccc23)CC1)c1nc(N)c2ccccc2n1 |wU:3.2,wD:6.6,(2.68,-4.08,;2.68,-2.54,;4.02,-1.77,;5.35,-2.53,;6.69,-1.76,;8.02,-2.54,;8,-4.08,;9.33,-4.86,;10.83,-4.45,;10.61,-5.93,;12.15,-5.22,;12.13,-6.76,;12.13,-3.68,;13.69,-5.22,;14.02,-3.71,;15.5,-3.27,;16.63,-4.31,;16.28,-5.81,;17.42,-6.85,;17.07,-8.35,;15.61,-8.81,;14.48,-7.76,;14.81,-6.26,;6.68,-4.83,;5.35,-4.06,;1.34,-1.76,;1.34,-.21,;-.02,.55,;-.02,2.1,;-1.34,-.22,;-2.68,.55,;-4.03,-.22,;-4.03,-1.78,;-2.68,-2.55,;-1.34,-1.77,;.01,-2.55,)|
BDBM50089065 CCN(CC)c1ccc(Nc2nc(Nc3ccccc3)c3ccccc3n2)cc1
BDBM50089066 CN(C[C@H]1CC[C@H](CNS(=O)(=O)c2cccc3ccccc23)CC1)c1nc(N)c2ccccc2n1 |wU:3.2,wD:6.6,(3.13,-4.29,;3.13,-2.75,;4.46,-1.99,;5.79,-2.75,;7.14,-1.98,;8.47,-2.76,;8.45,-4.3,;9.78,-5.07,;11.27,-4.67,;12.6,-5.44,;12.58,-6.98,;12.58,-3.9,;14.13,-5.44,;14.47,-3.94,;15.95,-3.48,;17.08,-4.53,;16.73,-6.02,;17.86,-7.07,;17.52,-8.57,;16.05,-9.03,;14.93,-7.98,;15.26,-6.48,;7.12,-5.06,;5.79,-4.29,;1.78,-1.98,;1.78,-.43,;.43,.34,;.43,1.88,;-.9,-.44,;-2.24,.33,;-3.58,-.44,;-3.58,-1.99,;-2.24,-2.78,;-.9,-1.99,;.45,-2.76,)|
BDBM50089067 Clc1ccc(Nc2nc(Nc3ccccc3)c3ccccc3n2)cc1
BDBM50089068 Nc1nc(N[C@H]2CCCC[C@H]2NS(=O)(=O)c2cccc3ccccc23)nc2ccccc12
BDBM50089069 CS(=O)(=O)NC[C@H]1CC[C@@H](CC1)Nc1nc(Nc2ccccc2)c2ccccc2n1 |wU:9.12,wD:6.5,(17,-10.36,;16.58,-8.88,;18,-9.04,;15.26,-9.64,;16.58,-7.34,;15.26,-6.57,;13.94,-7.34,;12.59,-6.57,;11.24,-7.34,;11.27,-8.89,;12.61,-9.64,;13.94,-8.88,;9.94,-9.67,;8.6,-8.89,;8.6,-7.34,;7.25,-6.58,;7.25,-5.05,;8.57,-4.26,;8.55,-2.74,;9.87,-1.96,;11.22,-2.72,;11.24,-4.26,;9.9,-5.04,;5.93,-7.36,;4.6,-6.59,;3.26,-7.36,;3.26,-8.9,;4.6,-9.68,;5.93,-8.9,;7.27,-9.67,)|
BDBM50093649 Cc1nc(N2CCC2)c2[nH]c(cc2n1)-c1ccccc1
BDBM50093666 CCCCc1cc2nc(C)nc(N3CCCCC3)c2[nH]1
BDBM50093706 CCCc1cc2nc(C)nc(N3CCCCC3)c2[nH]1
BDBM50093688 C1CCN(CC1)c1nc(nc2cc([nH]c12)-c1ccccc1)-c1ccccc1
BDBM50093689 Cc1nc(N2CCCCC2)c2[nH]c(cc2n1)-c1ccccn1
BDBM50093690 CN(C)CC1CCCCN1c1nc(C)nc2cc([nH]c12)-c1ccccc1
BDBM50093691 Cc1nc(N2CCC=CC2)c2[nH]c(cc2n1)-c1ccccc1 |c:7|
BDBM50093692 Cc1cc(N2CCCCC2)c2[nH]c(cc2n1)-c1ccccc1
BDBM50093693 Cc1nc(N2CCCCC2)c2[nH]c(cc2n1)C1CCCCC1
BDBM50093695 CC1CC(C)CN(C1)c1nc(C)nc2cc([nH]c12)-c1ccccc1
BDBM50093696 Cc1nc(N2CCCCC2)c2[nH]c(cc2n1)-c1cccc(F)c1
BDBM50093697 Cc1ccc(cc1)-c1cc2nc(C)nc(N3CCCCC3)c2[nH]1
BDBM50093698 CCCNc1nc(N2CCCCC2)c2[nH]c(cc2n1)-c1ccccc1
BDBM50093699 CN(C)c1nc(N2CCCCC2)c2[nH]c(cc2n1)-c1ccccc1
BDBM50093700 CCCc1nc(N2CCCCC2)c2[nH]c(cc2n1)-c1ccccc1
BDBM50093650 CCc1c([nH]c2c(nc(C)nc12)N1CCCCC1)-c1ccccc1
BDBM50093651 Nc1nc(N2CCCCC2)c2[nH]c(cc2n1)-c1ccccc1
BDBM50093701 Cc1nc(N2CCCCC2)c2[nH]c(cc2n1)-c1ccccc1C(F)(F)F
BDBM50093702 Cc1nc(N2CCCCC2)c2[nH]c(cc2n1)-c1cccs1
BDBM50093704 CC1CCCC(C)N1c1nc(C)nc2cc([nH]c12)-c1ccccc1
BDBM50093652 CCCCCc1cc2nc(C)nc(N3CCCCC3)c2[nH]1
BDBM50093653 Cc1nc(N2CCCCC2)c2[nH]c(Cc3cccc(c3)C(F)(F)F)cc2n1
BDBM50093654 Cc1cc2nc(C)nc(N3CCCCC3)c2[nH]1
BDBM50093705 Cc1nc(C2CCCCC2)c2[nH]c(cc2n1)-c1ccccc1
BDBM50093708 Cc1nc(N2CCCCC2)c2[nH]c(c(F)c2n1)-c1ccccc1
BDBM50093655 Cc1nc(N2CCCCC2)c2[nH]c(cc2n1)-c1ccc(cc1)-c1ccccc1
BDBM50093656 COc1nc(N2CCCCC2)c2[nH]c(cc2n1)-c1ccccc1
BDBM50093657 CN(Cc1ccco1)c1nc(C)nc2cc([nH]c12)-c1ccccc1
BDBM50093658 Cc1nc(N2CCCCC2)c2oc(cc2n1)-c1ccccc1
BDBM50093659 Cc1nc(N2CCCCC2)c2[nH]c(cc2n1)-c1cc2ccccc2s1
BDBM50093660 FC(F)(F)c1nc(N2CCCCC2)c2[nH]c(cc2n1)-c1ccccc1
BDBM50093661 CN(C)C1CCN(CC1)c1nc(C)nc2cc([nH]c12)-c1ccccc1
BDBM50093662 CNc1nc(N2CCCCC2)c2[nH]c(cc2n1)-c1ccccc1
BDBM50093663 Cc1nc(N2CCCCC2)c2sc(cc2n1)-c1ccccc1
BDBM50093664 Cc1nc(N2CCCCC2)c2[nH]c(cc2n1)-c1ccc(F)cc1
BDBM50093665 CC(=O)N1CCN(CC1)c1nc(C)nc2cc([nH]c12)-c1ccccc1
BDBM50093667 CCC1CCCCN1c1nc(C)nc2cc([nH]c12)-c1ccccc1
BDBM50093669 Cc1nc(N2CCN(CC2)S(C)(=O)=O)c2[nH]c(cc2n1)-c1ccccc1
BDBM50093670 Cc1nc(N2CCCCC2CCO)c2[nH]c(cc2n1)-c1ccccc1
BDBM50093671 Cc1nc(N2CCCCC2)c2n(C)c(cc2n1)-c1ccccc1
BDBM50093672 CC1CCCCN1c1nc(C)nc2cc([nH]c12)-c1ccccc1
BDBM50093673 Cc1nc(N2CCCCC2)c2[nH]c(cc2n1)-c1ccc(cc1)C(F)(F)F
BDBM50093674 Cc1nc(N2CCCCC2)c2[nH]c(cc2n1)C12C[C@H]3C[C@H](C[C@H](C3)C1)C2 |TLB:23:22:25:17.18.19,23:18:25:24.22.21|
BDBM50093675 Cc1nc(N2CCCCC2)c2[nH]c(cc2n1)-c1cc(F)cc(F)c1
BDBM50093676 C1CCN(CC1)c1ncnc2cc([nH]c12)-c1ccccc1
BDBM50093610 Cc1nc(NCC(F)(F)F)c2[nH]c(cc2n1)-c1ccccc1
BDBM50093611 CSc1nc(N2CCCCC2)c2[nH]c(cc2n1)-c1ccccc1
BDBM50093612 CC(=O)c1c([nH]c2c(nc(C)nc12)N1CCCCC1)-c1ccccc1
BDBM50093613 COc1ccc(cc1)-c1cc2nc(C)nc(N3CCCCC3)c2[nH]1
BDBM50093614 CCN(CC)c1nc(C)nc2cc([nH]c12)-c1ccccc1
BDBM50093615 Cc1nc(N2CCCCC2)c2[nH]c(c(-c3ccccc3)c2n1)-c1ccccc1
BDBM50093616 Cc1nc(N2CCCCCC2)c2[nH]c(cc2n1)-c1ccccc1
BDBM50093617 Cc1nc(N2CCNCC2)c2[nH]c(cc2n1)-c1ccccc1
BDBM50093618 Cc1nc(N2CCCCC2)c2[nH]c(cc2n1)-c1ccccc1F
BDBM50093619 O=C(Nc1nc(N2CCCCC2)c2[nH]c(cc2n1)-c1ccccc1)c1ccccc1
BDBM50093620 Cc1nc(NCCN2CCOCC2)c2[nH]c(cc2n1)-c1ccccc1
BDBM50093621 C1CCN(CC1)c1nc(N2CCCCC2)c2[nH]c(cc2n1)-c1ccccc1
BDBM50093622 Cc1nc(N2CCCCC2)c2[nH]c(cc2n1)-c1ccco1
BDBM50093623 Cc1nc(N2CCc3ccccc3C2)c2[nH]c(cc2n1)-c1ccccc1
BDBM50093624 Cc1nc(N2CCCCC2)c2[nH]c(CCc3ccccc3)cc2n1
BDBM50093625 Cc1nc(N2CCCCC2)c2[nH]c(cc2n1)-c1ccccc1Cl
BDBM50093626 Cc1nc(-c2cccnc2)c2[nH]c(cc2n1)-c1ccccc1
BDBM50093627 CCOCCCNc1nc(C)nc2cc([nH]c12)-c1ccccc1
BDBM50093628 COc1ccc(CCc2cc3nc(C)nc(N4CCCCC4)c3[nH]2)cc1
BDBM50093629 Cc1c([nH]c2c(nc(C)nc12)N1CCCCC1)-c1ccccc1
BDBM50093630 Cc1nc(Nc2ccccc2)c2[nH]c(cc2n1)-c1ccccc1
BDBM50093631 Cc1nc(N2CCCCC2)c2[nH]c(Cc3ccc(F)cc3)cc2n1
BDBM50093632 Cc1nc(N2CCCCC2)c2[nH]c(CC3CCCCC3)cc2n1
BDBM50093633 Cc1nc(N2CCCCC2)c2[nH]c(COc3ccccc3)cc2n1
BDBM50093634 Cc1nc(N2CCCCC2)c2[nH]c(cc2n1)-c1cnccn1
BDBM50093677 Cc1ccc(CNc2nc(C)nc3cc([nH]c23)-c2ccccc2)o1
BDBM50093678 Cc1nc(N2CCCC2)c2[nH]c(cc2n1)-c1ccccc1
BDBM50093635 Cc1nc(N)c2[nH]c(cc2n1)-c1ccccc1
BDBM50093636 Cc1nc(-c2ccsc2)c2[nH]c(cc2n1)-c1ccccc1
BDBM50093637 Cc1cc2cc([nH]c2c(n1)N1CCCCC1)-c1ccccc1
BDBM50093638 Cc1nc(N2CCCCC2)c2[nH]c(CSc3ccc(Cl)cc3)cc2n1
BDBM50093639 Cc1nc(N2CCOCC2)c2[nH]c(cc2n1)-c1ccccc1
BDBM50093640 Cc1nc(N2CC=CC2)c2[nH]c(cc2n1)-c1ccccc1 |c:6|
BDBM50093641 Cc1nc(N2CCC(O)CC2)c2[nH]c(cc2n1)-c1ccccc1
BDBM50093643 Cc1nc(N2CCCCC2)c2[nH]c(CS(=O)(=O)c3ccc(Cl)cc3)cc2n1
BDBM50093644 Cc1nc(N2CCCCC2)c2[nH]c(cc2n1)-c1cc(F)ccc1F
BDBM50093645 CCCCCC(CC)CNc1nc(C)nc2cc([nH]c12)-c1ccccc1
BDBM50093646 Cc1nc(N2CCCCC2)c2[nH]c(cc2n1)-c1cc2ccccc2o1
BDBM50093647 Cc1ccc(o1)-c1cc2nc(C)nc(N3CCCCC3)c2[nH]1
BDBM50093648 Cc1nc(NCc2ccccc2)c2[nH]c(cc2n1)-c1ccccc1
BDBM50093679 CCc1nc(N2CCCCC2)c2[nH]c(cc2n1)-c1ccccc1
BDBM50093680 COc1ccc(Cc2cc3nc(C)nc(N4CCCCC4)c3[nH]2)cc1
BDBM50093681 Cc1nc(N2CCCCC2)c2[nH]c(c(Br)c2n1)-c1ccccc1
BDBM50093682 CC(C)Cc1nc(N2CCCCC2)c2[nH]c(cc2n1)-c1ccccc1
BDBM50093683 Cc1nc(N2CCCCC2)c2[nH]c(cc2n1)-c1ccccc1
BDBM50093684 C1CC1c1nc(N2CCCCC2)c2[nH]c(cc2n1)-c1ccccc1
BDBM50093685 CC(C)c1nc(N2CCCCC2)c2[nH]c(cc2n1)-c1ccccc1
BDBM50093686 Cc1nc(N2CCCCC2)c2[nH]c(cc2n1)-c1c(F)cccc1F
BDBM50093687 Cc1nc(N2CCCCC2)c2[nH]c(nc2n1)-c1ccccc1
BDBM50101531 C[C@H]([C@@H](O)c1ccccc1)N(C)C(=O)Nc1ccc2oc3ccccc3c2c1
BDBM50101533 CC(Cc1ccc(Cl)cc1)N(C)C(=O)Nc1ccc(Oc2ccccc2)cc1
BDBM50101534 CCN([C@H](C)[C@@H](O)c1ccccc1)C(=O)Nc1ccc(Oc2ccccc2)cc1
BDBM50101535 C[C@H]([C@@H](O)c1ccccc1)N(C)C(=O)Nc1ccccc1Oc1ccccc1
BDBM50101536 C[C@H]([C@H](O)c1ccccc1)N(C)C(=O)Nc1ccc(Oc2ccccc2)cc1
BDBM50101537 C[C@H]([C@@H](O)c1ccccc1)N(C)C(=O)Nc1ccc(Oc2ccc(Cl)cc2)cc1
BDBM50101538 C[C@@H]([C@@H](O)c1ccccc1)N(C)C(=O)Nc1ccc(Oc2ccccc2)cc1
BDBM50101539 C[C@H]([C@@H](O)c1ccccc1)N(C)C(Nc1ccc(Cc2ccccc2)cc1)=NC#N |w:27.30|
BDBM50101540 C[C@H](Cc1ccccc1)N(C)C(=O)Nc1ccc(Oc2ccccc2)cc1
BDBM50101541 CN(C1Cc2ccccc2C1)C(=O)Nc1ccc(Oc2ccccc2)cc1
BDBM50101543 C[C@@H]([C@H](O)c1ccccc1)N(C)C(=O)Nc1ccc(Oc2ccccc2)cc1
BDBM50101545 CN(C(=O)Nc1ccc(Oc2ccccc2)cc1)C(C)(C)Cc1ccccc1
BDBM50101547 CC[C@@H](C)N(C)C(=O)Nc1ccc(Oc2ccccc2)cc1
BDBM50101548 C[C@H]([C@@H](O)c1ccccc1)N(C)C(=O)Nc1ccc(OCc2ccccc2)cc1
BDBM50101549 C[C@H]([C@@H](O)c1ccccc1)N(C)C(=O)Nc1cccc(Oc2ccccc2)c1
BDBM50101550 COc1ccc(NC(=O)N(C)[C@H](C)[C@@H](O)c2ccccc2)cc1
BDBM50101551 C[C@H]([C@@H](O)c1ccccc1)N(C)C(=O)N(C)c1ccc(Oc2ccccc2)cc1
BDBM50101553 CN(C1CCc2ccccc2C1)C(=O)Nc1ccc(Oc2ccccc2)cc1
BDBM50101554 CN(CCc1ccccc1)C(=O)Nc1ccc(Oc2ccccc2)cc1
BDBM50101555 C[C@H]([C@@H](O)c1ccccc1)N(C)C(=O)Nc1ccccc1
BDBM50101558 C[C@@H](Cc1ccccc1)N(C)C(=O)Nc1ccc(Oc2ccccc2)cc1
BDBM50101559 C[C@H]([C@@H](O)c1ccccc1)N(C)C(=O)Nc1ccc(Oc2cccc(c2)[N+]([O-])=O)cc1
BDBM50101560 C[C@@H](N(C)C(=O)Nc1ccc(Oc2ccccc2)cc1)C(=O)c1ccccc1
BDBM50101561 CC(CC1CCCCC1)N(C)C(=O)Nc1ccc(Oc2ccccc2)cc1
BDBM50101562 CN(C(Cc1ccccc1)c1ccccc1)C(=O)Nc1ccc(Oc2ccccc2)cc1
BDBM50101563 C[C@H]([C@@H](O)c1ccccc1)N(C)C(=O)Nc1ccc(Oc2ccccc2)cc1
BDBM50101564 CC(C)C(Cc1ccccc1)N(C)C(=O)Nc1ccc(Oc2ccccc2)cc1
BDBM50101566 C[C@H]([C@@H](O)c1ccccc1)N(C)C(=O)Oc1ccc(Oc2ccccc2)cc1
BDBM50101567 C[C@H]([C@@H](O)c1ccccc1)N(C)C(=O)Cc1ccc(Oc2ccccc2)cc1
BDBM50101568 C[C@H]([C@@H](O)c1ccccc1)N(C)C(=O)Nc1ccc(O)cc1
BDBM50101569 C[C@@H](NC(=O)Nc1ccc(Oc2ccccc2)cc1)[C@@H](O)c1ccccc1
BDBM50101570 C[C@H]([C@@H](O)c1ccccc1)N(C)C(=S)Nc1ccc(Oc2ccccc2)cc1
BDBM50101571 CC(Cc1ccncc1)N(C)C(=O)Nc1ccc(Oc2ccccc2)cc1
BDBM50099197 CC[C@H](C)[C@H](N)C(=O)N[C@@H]1CCC(=O)NC[C@@H](NC(=O)[C@@H]2CCCN2C(=O)[C@H](CCC(=O)NC[C@H](NC(=O)[C@@H]2CCCN2C1=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)OC)NC(=O)[C@@H](N)[C@@H](C)CC)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)OC
BDBM50099199 CC[C@H](C)[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)N1CCC[C@H]1C(=O)N[C@H](CSSC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(N)=O)NC(=O)[C@@H](N)[C@@H](C)CC)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)OC)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)OC
BDBM50099200 CC[C@H](C)[C@H](N)C(=O)N[C@@H]1CCC(=O)NC[C@@H](NC(=O)[C@@H]2CCCN2C(=O)[C@H](CCC(=O)NC[C@H](NC(=O)[C@@H]2CCCN2C1=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(N)=N)CN[C@@H](Cc1ccc(O)cc1)C(N)=O)NC(=O)[C@@H](N)[C@@H](C)CC)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(N)=N)CN[C@@H](Cc1ccc(O)cc1)C(N)=O
BDBM50099201 CC[C@H](C)[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)N1CCC[C@H]1C(=O)N[C@H](CSSC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(N)=O)NC(=O)[C@@H](N)[C@@H](C)CC)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(N)=N)CN[C@@H](Cc1ccc(O)cc1)C(N)=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(N)=N)CN[C@@H](Cc1ccc(O)cc1)C(N)=O
BDBM50099202 CC[C@H](C)[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(N)=N)CN[C@@H](Cc1ccc(O)cc1)C(N)=O
BDBM50099203 CC[C@H](C)[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)OC
BDBM50103691 Cc1ccc(cc1)-n1nc(cc1N)-c1ccc(NS(=O)(=O)c2ccc(F)cc2)cc1
BDBM50103692 COc1ccc(cc1)S(=O)(=O)Nc1ccc(cc1)-c1cc(N)n(n1)-c1ccc(F)cc1
BDBM50103693 CN(C)c1ccc(cc1)S(=O)(=O)Nc1ccc(cc1)-c1cc(N)n(n1)-c1ccc(C)cc1
BDBM50103694 COc1ccc(cc1)S(=O)(=O)Nc1ccc(cc1)-c1cc(N)n(n1)-c1cccc(c1)N(C)C
BDBM50103695 COc1ccc(cc1)S(=O)(=O)Nc1ccc(cc1)-c1cc(N)n(n1)-c1cc(cc(c1)C(F)(F)F)C(F)(F)F
BDBM50103696 Cc1ccc(cc1)-n1nc(cc1N)-c1ccc(NS(=O)(=O)c2ccc(N)cc2)cc1
BDBM50103697 CN(C)c1cccc(c1)S(=O)(=O)Nc1ccc(cc1)-c1cc(N)n(n1)-c1ccc(C)cc1
BDBM50103698 Cc1ccc(cc1)-n1nc(cc1N)-c1ccc(NS(=O)(=O)c2cccc3cccnc23)cc1
BDBM50103699 Cc1ccc(cc1)-n1nc(cc1N)-c1ccc(NS(=O)(=O)c2ccc(OC(F)(F)F)cc2)cc1
BDBM50103701 Cc1ccc(cc1)-n1nc(cc1N)-c1ccc(NS(=O)(=O)c2ccc(cc2)C(F)(F)F)cc1
BDBM50103702 CNc1cc(nn1-c1ccc(C)cc1)-c1ccc(NS(=O)(=O)c2ccc(cc2)N(C)C)cc1
BDBM50103703 Nc1cc(nn1-c1ccc(cc1)C(F)(F)F)-c1ccc(CNS(=O)(=O)c2ccccc2)cc1
BDBM50103704 COc1ccc(cc1)S(=O)(=O)N(C)c1ccc(cc1)-c1cc(N)n(n1)-c1ccc(C)cc1
BDBM50103705 COc1ccc(cc1)S(=O)(=O)Nc1ccc(cc1)-c1cc(N)n(n1)-c1cc(ccn1)C(F)(F)F
BDBM50103706 COc1ccc(cc1)S(=O)(=O)Nc1cccc(c1)-c1cc(N)n(n1)-c1ccc(C)cc1
BDBM50103707 COc1ccc(cc1)S(=O)(=O)Nc1ccc(cc1)-c1cc(N)n(n1)-c1cccc(C)c1
BDBM50103708 Cc1ccc(cc1)-n1nc(cc1N)-c1ccc(NS(=O)(=O)c2ccccc2)cc1
BDBM50103709 Cc1ccc(cc1)-n1nc(cc1N)-c1ccc(NS(=O)(=O)c2cccc(N)c2)cc1
BDBM50103710 COc1ccc(cc1)S(=O)(=O)Nc1ccc(cc1)-c1cc(N)n(n1)-c1ccccn1
BDBM50103711 Cc1ccc(cc1)-n1nc(cc1N)-c1ccc(NS(=O)(=O)c2ccccc2[N+]([O-])=O)cc1
BDBM50103712 COc1ccc(cc1)S(=O)(=O)Nc1ccc(cc1)-c1cc(N)n(n1)-c1ccc(C)cc1
BDBM50103713 Cc1ccc(cc1)-n1nc(cc1N)-c1ccc(NS(=O)(=O)c2ccc(cc2)[N+]([O-])=O)cc1
BDBM50103714 COc1ccc(cc1)S(=O)(=O)Nc1ccc(cc1)-c1cc(N)n(n1)-c1c[n+](ccn1)C(F)(F)F
BDBM50103716 COc1ccc(cc1)S(=O)(=O)Nc1ccc(cc1)-c1cc(N)n(n1)-c1ccccc1
BDBM50103717 Cc1ccc(NC(=O)c2ccc(cc2)-c2cc(N)n(n2)-c2ccc(C)cc2)cc1
BDBM50103718 Cc1cc(nn1-c1cccc(C)c1)C(=O)Nc1cc(Cl)cc(Cl)c1
BDBM50103719 Cc1cc(nn1Cc1ccccc1)C(=O)Nc1cc(Cl)cc(Cl)c1
BDBM50103720 Cc1cc(nn1-c1cccc(c1)C(F)(F)F)C(=O)Nc1cccc2CCCCc12
BDBM50103721 Cc1cc(nn1-c1cccc(c1)C(F)(F)F)C(=O)Nc1cc(Cl)cc(Cl)c1
BDBM50103723 Cc1cc(nn1-c1ccccc1)C(=O)Nc1cc(Cl)cc(Cl)c1
BDBM50103724 Cc1cc(nn1-c1cccc(c1)C(F)(F)F)C(=O)Nc1cccc2ccccc12
BDBM50103725 Cc1cc(nn1-c1ccccc1C(F)(F)F)C(=O)Nc1cc(Cl)cc(Cl)c1
BDBM50103726 Cc1cc(nn1-c1cccc(c1)C(F)(F)F)C(=O)Nc1cccc(Cl)c1
BDBM50103727 Cc1cc(nn1-c1cccc(c1)C(F)(F)F)C(=O)Nc1ccccc1Nc1ccccc1
BDBM50103728 Cc1cc(nn1-c1ccc(cc1)C(F)(F)F)C(=O)Nc1cc(Cl)cc(Cl)c1
BDBM50103729 Cc1cc(nn1-c1cccc(c1)C(F)(F)F)C(=O)Nc1ccccc1-n1cccc1
BDBM50103730 Cc1cc(nn1-c1cccc(c1)C(F)(F)F)C(=O)Nc1cccc(I)c1
BDBM50103731 Cc1cc(nn1-c1cccc(c1)C(F)(F)F)C(=O)Nc1c(F)cccc1F
BDBM50103732 Cc1cc(nn1-c1cccs1)C(=O)Nc1cc(Cl)cc(Cl)c1
BDBM50103733 Cc1cc(nn1-c1cccc(c1)C(F)(F)F)C(=O)Nc1cccc2cnccc12
BDBM50103734 Cc1cc(nn1-c1cccc(c1)C(F)(F)F)C(=O)Nc1ccc(Cl)cc1
BDBM50103735 Cc1cc(nn1-c1cccc(c1)C(F)(F)F)C(=O)Nc1cccc(C)c1
BDBM50103736 Cc1cc(nn1-c1cccc(c1)C(F)(F)F)C(=O)Nc1cccc(Br)c1
BDBM50103737 Cc1cc(nn1-c1cccc(c1)C(F)(F)F)C(=O)Nc1ccccc1Cc1ccccc1
BDBM50103738 Cc1cc(nn1-c1cccc(c1)C(F)(F)F)C(=O)Nc1nc2ccccc2[nH]1
BDBM50103739 COc1cccc(c1)-n1nc(cc1C)C(=O)Nc1cc(Cl)cc(Cl)c1
BDBM50103740 Cc1cc(nn1-c1ccccn1)C(=O)Nc1cc(Cl)cc(Cl)c1
BDBM50103741 Cc1cc(nn1-c1cccc(c1)C(F)(F)F)C(=O)Nc1cccc(OC(F)(F)F)c1
BDBM50103742 Cc1cc(nn1-c1cccc(c1)C(F)(F)F)C(=O)Nc1cccc2ncccc12
BDBM50103743 Cc1cc(nn1-c1cccc(c1)C(F)(F)F)C(=O)Nc1ccccn1
BDBM50103744 Cc1cc(nn1-c1cccc(c1)C(F)(F)F)C(=O)Nc1ccccc1C
BDBM50103745 Cc1cc(nn1-c1cccc(c1)C(F)(F)F)C(=O)Nc1ccc(F)cc1
BDBM50103686 COc1ccc(cc1)C(=O)Nc1ccc(cc1)-c1cc(N)n(n1)-c1ccc(C)cc1
BDBM50103687 Cc1ccc(cc1)-n1nc(cc1N)-c1ccc(NS(=O)(=O)c2cccc3ccccc23)cc1
BDBM50103688 Cc1ccc(cc1)-n1nc(cc1N)-c1ccc(NS(=O)(=O)c2ccc(C)cc2)cc1
BDBM50103689 Cc1ccc(cc1)-n1nc(cc1N)-c1ccc(NS(=O)(=O)c2ccccc2N)cc1
BDBM50103690 COc1ccc(cc1)S(=O)(=O)Nc1ccc(cc1)-c1cc(N)n(n1)-c1cccc2ccccc12
BDBM50110415 O=S(=O)(NC[C@@H]1CC[C@H](CNCC2CCc3ccccc3C2)CC1)c1cccc2ccccc12 |wU:5.4,8.8,(20.02,-8.52,;20.02,-6.98,;20.02,-5.43,;18.69,-6.2,;17.36,-6.99,;16.03,-6.22,;15.25,-4.89,;13.73,-4.87,;12.96,-6.2,;11.63,-5.43,;10.29,-6.2,;8.96,-5.43,;7.61,-6.2,;7.61,-7.75,;6.27,-8.52,;4.93,-7.72,;3.6,-8.52,;2.27,-7.75,;2.27,-6.2,;3.6,-5.43,;4.94,-6.2,;6.27,-5.41,;13.73,-7.54,;15.25,-7.54,;21.37,-6.2,;22.13,-7.54,;23.65,-7.54,;24.42,-6.23,;23.65,-4.9,;24.42,-3.58,;23.65,-2.25,;22.13,-2.27,;21.37,-3.59,;22.13,-4.9,)|
BDBM50110416 COc1ccc2CCCC(CNCC3CCN(CCNS(=O)(=O)c4cccc5ccccc45)CC3)Cc2c1
BDBM50110417 COc1ccc2CCCC(CNC3CCN(CCNS(=O)(=O)c4cccc5ccccc45)CC3)Cc2c1
BDBM50110418 COc1ccc2CC(CCCc2c1)NCCN1CCC(CNS(=O)(=O)c2cccc3ccccc23)CC1
BDBM50110419 COc1ccc2CCCC(Cc2c1)NCCN1CCC(CNS(=O)(=O)c2cccc3ccccc23)CC1
BDBM50110420 CCOC(=O)COc1ccc2CCCC(Cc2c1)NCC1CCN(CCNS(=O)(=O)c2cccc3ccccc23)CC1
BDBM50110421 COc1cc2CCCC(Cc2cc1OC)NCC1CCN(CCNS(=O)(=O)c2cccc3ccccc23)CC1
BDBM50110422 Clc1ccc2CCCC(Cc2c1)NCC1CN(CCNS(=O)(=O)c2cccc3ccccc23)C1
BDBM50110423 COc1cccc2CC(CCCc12)NCCN1CCC(CNS(=O)(=O)c2cccc3ccccc23)CC1
BDBM50110404 Cc1ccc2CCCC(Cc2c1)NCC1CN(CCNS(=O)(=O)c2cccc3ccccc23)C1
BDBM50110405 COc1ccc2CCCC(Cc2c1OC)NCC1CN(CCNS(=O)(=O)c2cccc3ccccc23)C1
BDBM50110406 COc1ccc2CCCC(CNCCN3CCC(CNS(=O)(=O)c4cccc5ccccc45)CC3)Cc2c1
BDBM50110407 COc1ccc2CCCC(Cc2c1)NCC1CCN(CCNS(=O)(=O)c2cccc3ccccc23)CC1
BDBM50110408 COc1ccc2CCCC(Cc2c1)NC1CCN(CCNS(=O)(=O)c2cccc3ccccc23)CC1
BDBM50110409 O=S(=O)(NCCN1CCC(CNC2CCCc3ccccc3C2)CC1)c1cccc2ccccc12
BDBM50110410 Cc1ccc2CCCC(Cc2c1)NCC1CCN(CCNS(=O)(=O)c2cccc3ccccc23)CC1
BDBM50110411 Clc1ccc2CCCC(Cc2c1)NCC1CCN(CCNS(=O)(=O)c2cccc3ccccc23)CC1
BDBM50110412 [O-][N+](=O)c1ccc2CCCC(Cc2c1)NCC1CCN(CCNS(=O)(=O)c2cccc3ccccc23)CC1
BDBM50110413 COc1ccc2CCCC(CNCC3CN(CCNS(=O)(=O)c4cccc5ccccc45)C3)Cc2c1
BDBM50110414 Nc1ccc2CCCC(Cc2c1)NCC1CCN(CCNS(=O)(=O)c2cccc3ccccc23)CC1
BDBM50111641 Clc1ccc2sc(=O)n(CC(=O)N3CCC(CC3)C(=O)Nc3cccc(c3)C(=O)c3ccccc3)c2c1
BDBM50111642 COc1ccc(NC(=O)C2CCN(CC2)C(=O)Cn2c3cc(Cl)ccc3sc2=O)cn1
BDBM50111643 OCCc1ccc(NC(=O)C2CCN(CC2)C(=O)Cn2c3cc(Cl)ccc3sc2=O)cc1
BDBM50111644 CC(=O)c1cccc(NC(=O)C2CCN(CC2)C(=O)Cn2c3cc(Cl)ccc3sc2=O)c1
BDBM50111645 Fc1ccc(NC(=O)C2CCN(CC2)C(=O)Cn2c3cc(Cl)ccc3sc2=O)cc1C(F)(F)F
BDBM50111646 Clc1ccc2sc(=O)n(CC(=O)N3CCC(CC3)C(=O)Nc3cccc4ccccc34)c2c1
BDBM50111647 Clc1ccc2sc(=O)n(CC(=O)N3CCC(CC3)C(=O)Nc3ccc(Oc4ccccc4)cc3)c2c1
BDBM50111648 Cc1ccc2nc(NC(=O)C3CCN(CC3)C(=O)Cn3c4cc(Cl)ccc4sc3=O)sc2c1
BDBM50111649 CCCCCCCCCCNC(=O)C1CCN(CC1)C(=O)Cn1c2cc(Cl)ccc2sc1=O
BDBM50111650 OC(CNC(=O)C1CCN(CC1)C(=O)Cn1c2cc(Cl)ccc2sc1=O)c1ccccc1
BDBM50111651 Cc1cc(O)ccc1NC(=O)C1CCN(CC1)C(=O)Cn1c2cc(Cl)ccc2sc1=O
BDBM50111652 Clc1ccc2sc(=O)n(CC(=O)N3CCC(CC3)C(=O)Nc3ccccc3)c2c1
BDBM50111653 NS(=O)(=O)c1ccc(CCNC(=O)C2CCN(CC2)C(=O)Cn2c3cc(Cl)ccc3sc2=O)cc1
BDBM50111654 COc1ccc(CNC(=O)C2CCN(CC2)C(=O)Cn2c3cc(Cl)ccc3sc2=O)cc1
BDBM50111655 Clc1ccc2oc(NC(=O)C3CCN(CC3)C(=O)Cn3c4cc(Cl)ccc4sc3=O)nc2c1
BDBM50111656 Clc1ccc2sc(=O)n(CC(=O)N3CCC(CC3)C(=O)Nc3ccc(Cl)c4ccccc34)c2c1
BDBM50111657 Cc1cccc(n1)C(O)CNC(=O)C1CCN(CC1)C(=O)Cn1c2cc(Cl)ccc2sc1=O
BDBM50111078 Cc1ccc2CCCc3[nH]c(nc3-c2c1)-c1ccccn1
BDBM50111079 Cc1ccc2CCCc3[nH]c(nc3-c2c1)-c1cccnc1
BDBM50111080 Fc1ccc2CCCc3[nH]c(nc3-c2c1)-c1ccncc1
BDBM50111081 C1Cc2[nH]c(nc2-c2ccccc2C1)-c1ccncc1
BDBM50111082 Clc1ccc2CCCc3[nH]c(nc3-c2c1)-c1ccccc1
BDBM50111083 COc1ccc2CCCc3[nH]c(nc3-c2c1)-c1cccnc1
BDBM50110562 COc1ccc2CCCC(Cc2c1)NCC1CCN(CC1)C(=O)Cn1c2cc(Cl)ccc2sc1=O
BDBM50110563 COc1ccc2CCC(O)(CNCC3CCN(CCNS(=O)(=O)c4cccc5ccccc45)CC3)c2c1
BDBM50110564 COc1ccc2CCCC(O)(CNCC3CCN(CC3)C(=O)Cn3c4cc(Cl)ccc4sc3=O)c2c1
BDBM50110565 COc1ccc2CCCC(Cc2c1)NCC1CCN(CC1)C(=O)CNS(=O)(=O)c1cccc2ccccc12
BDBM50110566 COc1ccc2CCCC(O)(CNCC3CCN(CCNS(=O)(=O)c4cccc5ccccc45)CC3)Cc2c1
BDBM50110567 COc1ccc2CCCC(O)(CNC(=O)C3CCN(CC3)C(=O)Cn3c4cc(Cl)ccc4sc3=O)c2c1
BDBM50110568 Clc1ccc2sc(=O)n(CC(=O)N3CCC(CC3)C(=O)Nc3nccs3)c2c1
BDBM50111084 C1Cc2[nH]c(nc2-c2ccccc2O1)-c1ccccc1
BDBM50111085 C1Cc2[nH]c(nc2-c2ccccc2C1)-c1ccccc1
BDBM50111086 Cc1[nH]c(nc1-c1cccnc1)-c1ccccc1
BDBM50111087 COc1ccc2CCCc3[nH]c(nc3-c2c1)-c1ccccn1
BDBM50111088 Fc1ccc2CCCc3[nH]c(nc3-c2c1)-c1ccccn1
BDBM50111089 Cc1ccc2CCCc3[nH]c(nc3-c2c1)-c1ccncc1
BDBM50111090 COc1ccc2CCc3[nH]c(nc3-c2c1)-c1ccccc1
BDBM50111091 C1Cc2[nH]c(nc2-c2ccccc2C1)-c1ccccn1
BDBM50111092 Fc1ccc2CCCc3[nH]c(nc3-c2c1)-c1cccnc1
BDBM50111093 C1Cc2[nH]c(nc2-c2ccccc2C1)-c1c[nH]cn1
BDBM50111094 C1Cc2[nH]c(nc2-c2ccccc2C1)-c1cccnc1
BDBM50111095 COc1ccc2CCCc3[nH]c(nc3-c2c1)-c1ccncc1
BDBM50111096 COc1ccc2CCCc3[nH]c(nc3-c2c1)-c1ccccc1
BDBM50110569 COc1ccc2CCCC(CNC(=O)C3CCN(CC3)C(=O)Cn3c4cc(Cl)ccc4sc3=O)Cc2c1
BDBM50110570 COc1ccc2CCCC(O)(CNCCC3CCN(CCNS(=O)(=O)c4cccc5ccccc45)CC3)c2c1
BDBM50110571 COc1ccc2CCCC(O)(CNCC3CCN(CCNS(=O)(=O)c4cccc5ccccc45)CC3)c2c1
BDBM50110572 COc1ccc2CCCC(O)(CNCC3CCN(CCNS(=O)(=O)c4cccc(C)c4)CC3)c2c1
BDBM50110573 COc1ccc2CCCC(O)(CNCC3CCN(CCNS(=O)(=O)c4cccc(Cl)c4C)CC3)c2c1
BDBM50114976 [O-][N+](=O)c1ccccc1S(=O)(=O)NC[C@H]1CC[C@H](CNCc2ccc3ccccc3n2)CC1 |wU:14.14,wD:17.18,(3.83,-5.18,;2.48,-5.95,;1.15,-5.2,;2.5,-7.47,;1.17,-8.28,;1.17,-9.82,;2.5,-10.59,;3.83,-9.82,;3.83,-8.26,;5.16,-7.47,;5.56,-8.98,;5.16,-5.95,;6.49,-8.26,;7.82,-7.47,;9.17,-8.24,;10.48,-7.47,;11.83,-8.24,;11.83,-9.78,;13.17,-10.55,;14.5,-9.78,;15.83,-10.55,;17.16,-9.78,;17.16,-8.24,;18.49,-7.47,;19.83,-8.26,;21.15,-7.47,;22.48,-8.26,;22.47,-9.8,;21.14,-10.57,;19.82,-9.78,;18.49,-10.55,;10.5,-10.55,;9.17,-9.78,)|
BDBM50114977 O=S(=O)(NC[C@H]1CC[C@H](CNCC2CCc3ccccc3C2)CC1)c1cccc2ccccc12 |wU:5.4,wD:8.8,(-1.14,-3.49,;-1.56,-2,;-1.56,-.45,;-.2,-2.77,;1.13,-2,;2.46,-2.76,;3.8,-1.97,;5.13,-2.74,;5.13,-4.29,;6.46,-5.06,;7.79,-4.29,;9.15,-5.06,;10.48,-4.29,;10.46,-2.76,;11.82,-1.99,;13.15,-2.77,;14.48,-2.01,;15.79,-2.77,;15.79,-4.31,;14.46,-5.08,;13.12,-4.3,;11.82,-5.07,;3.8,-5.06,;2.46,-4.3,;-2.89,-2.78,;-2.87,-4.31,;-4.2,-5.1,;-5.56,-4.33,;-5.56,-2.79,;-6.89,-2.02,;-6.89,-.5,;-5.56,.28,;-4.22,-.48,;-4.22,-2.02,)|
BDBM50114978 OCC(Cc1ccc(Cl)cc1)NC[C@H]1CC[C@H](CNS(=O)(=O)c2cccc3ccccc23)CC1 |wU:16.17,wD:13.13,(6.46,-5.19,;7.82,-4.42,;7.79,-2.88,;9.15,-2.1,;10.48,-2.88,;11.82,-2.1,;13.15,-2.86,;13.15,-4.42,;14.48,-5.19,;11.82,-5.19,;10.48,-4.42,;6.46,-2.1,;5.13,-2.88,;3.8,-2.11,;3.8,-.57,;2.46,.2,;1.13,-.58,;-.2,.19,;-1.54,-.58,;-2.89,.18,;-2.96,-1.27,;-2.89,1.72,;-4.22,-.61,;-4.22,-2.15,;-5.56,-2.92,;-6.89,-2.16,;-6.89,-.61,;-8.22,.14,;-8.22,1.68,;-6.89,2.46,;-5.56,1.7,;-5.56,.16,;1.13,-2.13,;2.46,-2.88,)|
BDBM50114979 O=S(=O)(NC[C@H]1CC[C@H](CNCC2CCc3ccccc3C2)CC1)c1ccc2ccccc2c1 |wU:5.4,wD:8.8,(-1.75,.27,;-1.73,-1.27,;-1.32,-2.77,;-.39,-2.04,;.94,-1.27,;2.28,-2.04,;3.61,-1.25,;4.94,-2.02,;4.94,-3.56,;6.29,-4.33,;7.62,-3.56,;8.96,-4.33,;10.3,-3.56,;10.29,-2.04,;11.63,-1.27,;12.96,-2.04,;14.29,-1.29,;15.62,-2.04,;15.6,-3.59,;14.27,-4.36,;12.95,-3.59,;11.63,-4.36,;3.61,-4.33,;2.28,-3.59,;-3.06,-2.07,;-3.06,-3.61,;-4.41,-4.38,;-5.74,-3.61,;-7.08,-4.38,;-8.41,-3.61,;-8.41,-2.07,;-7.08,-1.29,;-5.74,-2.07,;-4.41,-1.29,)|
BDBM50114980 [O-][N+](=O)c1ccccc1S(=O)(=O)NC[C@H]1CC[C@H](CNCc2ccnc3ccccc23)CC1 |wU:14.14,wD:17.18,(-2.1,1.7,;-3.45,.9,;-4.77,1.68,;-3.45,-.64,;-4.77,-1.41,;-4.76,-2.95,;-3.45,-3.73,;-2.1,-2.95,;-2.1,-1.41,;-.76,-.62,;-.35,-2.11,;-.77,.93,;.58,-1.39,;1.92,-.62,;3.25,-1.39,;4.57,-.59,;5.92,-1.36,;5.92,-2.91,;7.26,-3.68,;8.59,-2.91,;9.94,-3.68,;11.27,-2.91,;11.25,-1.39,;12.6,-.62,;13.94,-1.39,;13.92,-2.91,;15.24,-3.68,;15.27,-5.2,;13.94,-5.97,;12.6,-5.22,;12.6,-3.68,;4.57,-3.68,;3.25,-2.93,)|
BDBM50114981 FC(F)(F)c1ccccc1S(=O)(=O)NC[C@H]1CC[C@H](CNCc2cccc3ccccc23)CC1 |wU:15.15,wD:18.19,(-2.91,-.38,;-4.25,-1.15,;-5.58,-.41,;-2.75,-1.55,;-4.22,-2.7,;-5.56,-3.49,;-5.56,-5.03,;-4.22,-5.81,;-2.89,-5.03,;-2.89,-3.47,;-1.56,-2.7,;-1.16,-4.19,;-1.56,-1.15,;-.23,-3.47,;1.11,-2.7,;2.46,-3.44,;3.77,-2.67,;5.13,-3.44,;5.13,-4.99,;6.46,-5.76,;7.79,-4.99,;9.13,-5.76,;10.46,-4.99,;10.46,-3.44,;11.79,-2.67,;13.12,-3.47,;13.12,-4.99,;14.43,-5.76,;14.46,-7.28,;13.12,-8.05,;11.79,-7.28,;11.79,-5.76,;3.8,-5.76,;2.46,-4.99,)|
BDBM50114982 O=S(=O)(NC[C@H]1CC[C@H](CNCc2ccc3OCCOc3c2)CC1)c1cccc2ccccc12 |wU:5.4,wD:8.8,(4.8,-4.82,;6.13,-5.59,;6.95,-4,;7.55,-6.18,;8.79,-5.24,;10.22,-5.82,;11.41,-4.89,;12.83,-5.47,;13.04,-7.02,;14.47,-7.6,;15.68,-6.67,;17.06,-7.34,;18.35,-6.49,;19.68,-7.27,;21.01,-6.5,;21.01,-4.98,;22.36,-4.21,;22.37,-2.66,;21.03,-1.89,;19.68,-2.65,;19.68,-4.19,;18.35,-4.95,;11.81,-7.95,;10.38,-7.34,;5.36,-6.92,;6.11,-8.23,;5.33,-9.56,;3.79,-9.56,;3.02,-8.23,;1.5,-8.23,;.73,-6.9,;1.53,-5.57,;3.04,-5.57,;3.82,-6.9,)|
BDBM50114983 [O-][N+](=O)c1ccccc1S(=O)(=O)NCCCCCCNC(=O)c1ccc2ccccc2c1
BDBM50114984 O=C(NCCCCCCNS(=O)(=O)c1cccc2ccccc12)Nc1cccc2ccccc12
BDBM50114985 [O-][N+](=O)c1ccccc1S(=O)(=O)NC[C@H]1CC[C@H](CNC(=O)Nc2cccc3ccccc23)CC1 |wU:14.14,wD:17.18,(5.86,-3.08,;5.24,-4.51,;3.71,-4.69,;6.18,-5.77,;5.56,-7.16,;6.48,-8.4,;8,-8.24,;8.61,-6.81,;7.7,-5.58,;8.32,-4.16,;8.94,-2.74,;6.9,-3.55,;9.73,-4.76,;10.98,-3.85,;12.4,-4.48,;13.64,-3.57,;15.06,-4.2,;15.22,-5.72,;16.63,-6.35,;17.88,-5.44,;19.28,-6.07,;19.45,-7.61,;20.54,-5.16,;21.94,-5.79,;22.08,-7.33,;23.5,-7.96,;24.74,-7.05,;24.58,-5.51,;25.81,-4.62,;25.65,-3.1,;24.25,-2.47,;23.01,-3.36,;23.18,-4.9,;13.97,-6.63,;12.56,-6,)|
BDBM50114986 Cc1ccc(cc1)S(=O)(=O)NC(Cc1ccccc1)C(=O)NC[C@H]1CC[C@H](CNS(=O)(=O)c2ccc3ccccc3c2)CC1 |wU:26.28,wD:23.24,(25.46,2.89,;24.69,1.53,;25.46,.19,;24.69,-1.14,;23.15,-1.14,;22.38,.2,;23.15,1.53,;22.36,-2.48,;23.71,-3.27,;21.02,-1.71,;21.59,-3.83,;22.36,-5.16,;23.92,-5.16,;24.69,-6.49,;23.9,-7.82,;24.67,-9.15,;26.21,-9.15,;26.98,-7.8,;26.21,-6.47,;21.59,-6.49,;22.36,-7.82,;20.04,-6.49,;19.27,-7.82,;17.73,-7.82,;16.96,-6.49,;15.42,-6.49,;14.65,-7.82,;13.1,-7.82,;12.33,-9.15,;10.79,-9.15,;10.8,-7.61,;9.25,-9.15,;10.78,-10.69,;12.09,-11.46,;12.09,-13,;10.74,-13.77,;10.72,-15.29,;9.39,-16.05,;8.06,-15.27,;8.07,-13.73,;9.41,-12.98,;9.43,-11.44,;15.42,-9.15,;16.96,-9.15,)|
BDBM50114987 [O-][N+](=O)c1cccc2ccc(cc12)S(=O)(=O)NC[C@H]1CC[C@H](CNC(=O)C2CCc3ccccc3C2)CC1 |wU:18.19,wD:21.23,(-1.05,-1.99,;-2.38,-2.76,;-3.73,-2,;-2.38,-4.31,;-3.71,-5.08,;-3.71,-6.62,;-2.38,-7.4,;-1.04,-6.62,;.29,-7.37,;1.62,-6.6,;1.62,-5.06,;.29,-4.29,;-1.04,-5.06,;2.95,-4.29,;3.56,-2.86,;1.53,-3.66,;4.36,-4.89,;5.62,-3.98,;7.05,-4.59,;8.31,-3.68,;9.71,-4.31,;9.87,-5.85,;11.28,-6.48,;12.54,-5.57,;13.94,-6.2,;14.11,-7.72,;15.21,-5.29,;15.02,-3.77,;16.28,-2.86,;17.68,-3.49,;18.95,-2.6,;20.33,-3.23,;20.49,-4.78,;19.23,-5.67,;17.85,-5.03,;16.61,-5.92,;8.61,-6.77,;7.21,-6.13,)|
BDBM50114988 Cc1ccc(cc1)S(=O)(=O)NC(Cc1ccccc1)C(=O)NCCCCCCNS(=O)(=O)c1cccc2ccccc12
BDBM50114989 O=C(NCCCCCCNS(=O)(=O)c1cccc2ccccc12)C1CCc2ccccc2C1
BDBM50114990 O=C(NC[C@H]1CC[C@H](CNS(=O)(=O)c2ccc3ccccc3c2)CC1)C1CCc2ccccc2C1 |wU:7.7,wD:4.3,(11.06,-5.39,;10.9,-3.87,;9.49,-3.23,;8.23,-4.15,;6.83,-3.52,;6.66,-1.97,;5.25,-1.34,;3.98,-2.25,;2.57,-1.64,;1.31,-2.56,;-.09,-1.95,;.51,-.52,;-1.52,-1.32,;-1.43,-2.72,;-1.43,-4.26,;-2.76,-5.03,;-4.09,-4.29,;-5.44,-5.06,;-6.77,-4.29,;-6.77,-2.74,;-5.44,-1.97,;-4.11,-2.72,;-2.77,-1.95,;4.16,-3.8,;5.56,-4.43,;12.14,-2.95,;11.97,-1.43,;13.23,-.52,;14.64,-1.15,;15.88,-.27,;17.28,-.9,;17.44,-2.44,;16.18,-3.33,;14.79,-2.7,;13.55,-3.59,)|
BDBM50114991 [O-][N+](=O)c1ccccc1S(=O)(=O)NCCCCCCNC(=O)C1CCc2ccccc2C1
BDBM50114992 [O-][N+](=O)c1ccccc1S(=O)(=O)NCCCCCCNC(=O)Nc1cccc2ccccc12
BDBM50114993 [O-][N+](=O)c1ccccc1S(=O)(=O)NCCCCNC(=O)Nc1cccc2ccccc12
BDBM50114994 Clc1ccc(NC(=O)NC[C@H]2CC[C@H](CNS(=O)(=O)c3cccc4ccccc34)CC2)cc1Cl |wU:13.13,wD:10.9,(23.58,-8.14,;22.8,-6.78,;21.24,-6.78,;20.47,-5.45,;21.24,-4.1,;20.47,-2.77,;18.92,-2.77,;18.14,-4.12,;18.14,-1.43,;16.59,-1.45,;15.81,-2.81,;14.26,-2.81,;13.49,-4.14,;14.26,-5.48,;13.49,-6.81,;11.93,-6.81,;11.15,-5.47,;12.51,-4.68,;10.38,-4.12,;9.82,-6.24,;9.82,-7.77,;8.5,-8.54,;7.15,-7.77,;7.15,-6.23,;5.82,-5.47,;5.82,-3.94,;7.15,-3.16,;8.49,-3.94,;8.49,-5.47,;15.81,-5.48,;16.58,-4.15,;22.8,-4.1,;23.57,-5.43,;25.11,-5.42,)|
BDBM50114995 O=C(NC[C@H]1CC[C@H](CNS(=O)(=O)c2cccc3ccccc23)CC1)C1CCc2ccccc2C1 |wU:7.7,wD:4.3,(8.97,-2.54,;9.74,-1.2,;8.97,.13,;7.43,.13,;6.63,-1.21,;5.09,-1.21,;4.32,-2.55,;5.09,-3.88,;4.32,-5.21,;2.76,-5.21,;1.99,-3.86,;3.34,-3.09,;1.22,-2.52,;.66,-4.62,;.65,-6.14,;-.68,-6.91,;-2.02,-6.14,;-2,-4.6,;-3.33,-3.83,;-3.33,-2.32,;-1.98,-1.55,;-.67,-2.32,;-.67,-3.83,;6.63,-3.88,;7.4,-2.55,;11.28,-1.2,;12.05,-2.53,;13.61,-2.53,;14.38,-1.2,;15.92,-1.2,;16.69,.13,;15.92,1.47,;14.38,1.47,;13.61,.13,;12.05,.13,)|
BDBM50114973 FC(F)(F)c1ccccc1S(=O)(=O)NC[C@H]1CC[C@H](CNCc2ccc3ccccc3c2)CC1 |wU:15.15,wD:18.19,(-6.68,-.35,;-5.32,-1.12,;-3.83,-1.52,;-3.99,-.35,;-5.32,-2.67,;-6.66,-3.44,;-6.66,-4.99,;-5.32,-5.75,;-3.99,-4.98,;-3.99,-3.44,;-2.66,-2.65,;-2.24,-4.14,;-2.66,-1.11,;-1.3,-3.41,;.03,-2.64,;1.36,-3.41,;2.7,-2.63,;4.03,-3.4,;4.03,-4.94,;5.36,-5.71,;6.69,-4.94,;8.05,-5.71,;9.38,-4.94,;9.36,-3.41,;10.72,-2.64,;12.05,-3.41,;13.38,-2.65,;14.69,-3.41,;14.69,-4.96,;13.36,-5.73,;12.03,-4.96,;10.72,-5.71,;2.7,-5.71,;1.36,-4.96,)|
BDBM50114974 [O-][N+](=O)c1ccccc1S(=O)(=O)NC[C@H]1CC[C@H](CNCC2CCc3ccccc3C2)CC1 |wU:14.14,wD:17.18,(-3.71,-.58,;-5.05,-1.36,;-6.38,-.59,;-5.04,-2.91,;-6.38,-3.68,;-6.38,-5.24,;-5.04,-6.01,;-3.71,-5.24,;-3.71,-3.68,;-2.38,-2.9,;-2.38,-1.36,;-1.96,-4.4,;-1.03,-3.67,;.3,-2.9,;1.64,-3.66,;2.97,-2.88,;4.31,-3.65,;4.31,-5.19,;5.64,-5.96,;6.98,-5.19,;8.32,-5.96,;9.66,-5.19,;9.64,-3.66,;10.99,-2.88,;12.33,-3.67,;13.65,-2.91,;14.97,-3.67,;14.97,-5.21,;13.64,-5.99,;12.31,-5.2,;10.99,-5.97,;2.98,-5.96,;1.64,-5.2,)|
BDBM50114975 O=S(=O)(NCCCCCCNCc1ccc2ccccc2c1)c1ccc2ccccc2c1
BDBM50116590 CS(=O)(=O)n1c2ccccc2c2cc(NC(=O)CCc3ccncc3)ccc12
BDBM50116591 CCn1c2ccccc2c2cc(CC(=O)NCc3ccncc3)ccc12
BDBM50116592 CC(C)n1c2ccccc2c2c(C)c(NC(=O)N3CCOCC3)ccc12
BDBM50116593 CCn1c2ccccc2c2ccc(NC(=O)CCc3ccncc3)cc12
BDBM50116594 CCOc1c(NC(=O)N2CCOCC2)ccc2n(C(C)C)c3ccccc3c12
BDBM50116595 CCn1c2ccccc2c2cc(ccc12)N(C)C(=O)CCc1ccncc1
BDBM50116596 CCn1c2ccccc2c2c(NC(=O)CCc3ccncc3)cccc12
BDBM50116597 CCn1c2ccccc2c2cc(NC(=O)N3CCOCC3)ccc12
BDBM50116598 O=C(CSc1ccncc1)Nc1ccc(cc1)C(=O)c1ccccc1
BDBM50116599 CC(C)n1c2ccccc2c2c(C)c(NC(=O)N3CCOCC3)c(C)cc12
BDBM50116600 CCn1c2ccccc2c2cc(NC(=O)CCc3ccncc3)ccc12
BDBM50116601 CC(C)c1c(NC(=O)N2CCOCC2)ccc2n(C(C)C)c3ccccc3c12
BDBM50116602 CC(C)n1c2ccccc2c2cc(NC(=O)N3CCOCC3)ccc12
BDBM50116603 CS(=O)(=O)n1c2ccccc2c2cc(NC(=O)N3CCOCC3)ccc12
BDBM50116604 O=C(CCc1ccncc1)Nc1ccc(cc1)C(=O)c1ccccc1
BDBM50116605 CC(C)n1c2ccc(F)cc2c2cc(NC(=O)N3CCOCC3)ccc12
BDBM50116606 CCn1c2ccccc2c2cc(ccc12)C(=O)NCCc1ccncc1
BDBM50116607 CC(C)n1c2ccccc2c2c(F)c(NC(=O)N3CCOCC3)c(F)cc12
BDBM50116608 CN(C)S(=O)(=O)n1c2ccccc2c2cc(NC(=O)CCc3ccncc3)ccc12
BDBM50116609 CC(C)(C)Cn1c2ccccc2c2cc(NC(=O)N3CCOCC3)ccc12
BDBM50116610 CC(C)n1c2ccccc2c2cc(NC(=O)CCc3ccncc3)ccc12
BDBM50116611 CC(C)n1c2ccccc2c2c(C)c(NC(=O)N3CCOCC3)cc(C)c12
BDBM50116612 Cn1c2ccccc2c2cc(NC(=O)CCc3ccncc3)ccc12
BDBM50116613 O=C(CCc1ccncc1)Nc1ccc2[nH]c3ccccc3c2c1
BDBM50116614 CCn1c2ccccc2c2cc(CNC(=O)Cc3ccncc3)ccc12
BDBM50116615 CN(C)S(=O)(=O)n1c2ccccc2c2cc(NC(=O)N3CCOCC3)ccc12
BDBM50116616 CCn1c2ccccc2c2cccc(NC(=O)CCc3ccncc3)c12
BDBM50116617 CC(=O)n1c2ccccc2c2cc(NC(=O)CCc3ccncc3)ccc12
BDBM50116618 O=C(Nc1ccc2n(C3CCOC3)c3ccccc3c2c1)N1CCOCC1
BDBM50116619 CC(C)n1c2ccc(NC(=O)N3CCOCC3)cc2c2cccc(C)c12
BDBM50123717 Clc1ccc(cc1)-c1cc(NC(=O)C2Cc3ccccc3C2)[nH]n1
BDBM50123718 Clc1ccc(cc1)-c1cc(NC(=O)CCCc2ccccc2)[nH]n1
BDBM50123719 Clc1ccc(cc1)-c1cc(NC(=O)Cc2ccccc2)[nH]n1
BDBM50123720 COc1ccc(cc1OC)-c1cc(NC(=O)C2Cc3ccc4ccccc4c3C2)[nH]n1
BDBM50123721 Clc1ccc(cc1)-c1cc(NC(=O)Cc2ccc3ccccc3c2)[nH]n1
BDBM50123722 Clc1ccc(cc1)-c1cc(NC(=O)c2ccc3ccccc3c2)[nH]n1
BDBM50123723 Clc1ccc(cc1)-c1cc(NC(=O)Cc2cccc3ccccc23)[nH]n1
BDBM50123724 CCc1cc(ccn1)-c1cc(NC(=O)C2Cc3ccc4ccccc4c3C2)[nH]n1
BDBM50123725 Clc1ccc(cc1)-c1cc(NC(=O)CCc2ccccc2)[nH]n1
BDBM50123726 COc1ccc(cc1)-c1cc(NC(=O)C2Cc3ccccc3C2)[nH]n1
BDBM50123727 Cc1ccc(cc1)-c1cc(NC(=O)C2Cc3ccccc3C2)[nH]n1
BDBM50123728 CC(C)Oc1ccc(cc1)-c1cc(NC(=O)C2Cc3ccccc3C2)[nH]n1
BDBM50123729 O=C(Nc1cc(n[nH]1)-c1ccncc1)C1Cc2ccc3ccccc3c2C1
BDBM50123730 Clc1ccccc1-c1cc(NC(=O)C2Cc3ccccc3C2)[nH]n1
BDBM50123731 Clc1ccc(cc1)-c1cc(NC(=O)c2ccccc2)[nH]n1
BDBM50123732 O=C(Nc1cc(n[nH]1)-c1ccccc1)C1Cc2ccccc2C1
BDBM50123733 Clc1ccc(cc1)-c1cc(NC(=O)c2cccc3ccccc23)[nH]n1
BDBM50123734 Clc1cccc(c1)-c1cc(NC(=O)C2Cc3ccccc3C2)[nH]n1
BDBM50123735 COc1ccc(cc1OC)-c1cc(NC(=O)C2Cc3ccccc3C2)[nH]n1
BDBM50123736 Clc1ccc(cc1)-c1cc(NC(=O)c2ccc(cc2)-c2ccccc2)[nH]n1
BDBM50123737 CC(C)(C)OCCOc1ccc(cn1)-c1nc(c[nH]1)-c1cccc(c1)C#N
BDBM50128924 CCn1c2ccccc2c2cc(NC(=O)CN(C)C)ccc2c1=O
BDBM50128925 CCn1c2ccccc2c2cc(ccc12)-c1nc2ccncc2[nH]1
BDBM50128926 CCn1c2ccccc2c2cc(NC(=O)Cc3ccncc3)ccc2c1=O
BDBM50128927 CCn1c2ccccc2c2cc(NC(=O)CCN3CCOCC3)ccc12
BDBM50128928 CC(C)n1c2ccccc2c2cc(NC(=O)CCN3CCCC3)ccc12
BDBM50128929 CCn1c2ccccc2c2cc(NC(=O)C(F)(F)F)ccc12
BDBM50128930 CC(C)n1c2ccccc2c2cc(NC(=O)CN(C)C)ccc2c1=O
BDBM50128931 CC(C)Cn1c2ccccc2c2cc(NC(=O)CCN3CCCC3)ccc12
BDBM50128932 CCn1c2ccccc2c2cc(ccc12)-c1nc(c(C)[nH]1)-c1ccccc1
BDBM50128933 CCn1c2ccccc2c2cc(NC(=O)CN(C)C)ccc12
BDBM50128934 CCn1c2ccccc2c2cc(ccc12)-c1nc(C)c(C)[nH]1
BDBM50128935 CCn1c2ccccc2c2cc(NC(=O)Cc3ccncc3)ccc12
BDBM50128936 CC(C)n1c2ccccc2c2cc(NC(=O)C(F)(F)F)ccc12
BDBM50128937 CCn1c2ccccc2c2cc(ccc12)-c1nc(c(C)[nH]1)-c1ccccn1
BDBM50128938 CCn1c2ccccc2c2cc(NC(=O)CNCc3ccccc3)ccc12
BDBM50128939 CCn1c2ccccc2c2cc(NC(=O)CCN3CCCC3)ccc12
BDBM50128940 CCN1Cc2ccc(NC(=O)C(F)(F)F)cc2-c2ccccc12
BDBM50128941 Cn1c2ccccc2c2cc(NC(=O)C(F)(F)F)ccc12
BDBM50128942 CC(C)n1c2ccccc2c2cc(NC(=O)Cc3ccncc3)ccc2c1=O
BDBM50128943 CCn1c2ccccc2c2cc(ccc12)-c1nc2ncccc2[nH]1
BDBM50128944 CCn1c2ccccc2c2cc(ccc12)-c1nc2ncncc2[nH]1
BDBM50128945 CCn1c2ccccc2c2ccc(NC(=O)CN(C)C)cc2c1=O
BDBM50128946 CCn1c2ccccc2c2cc(NC(=O)C(F)(F)F)ccc2c1=O
BDBM50133759 Cc1ccccc1-c1c[nH]c(n1)-c1cccnc1
BDBM50133760 Clc1ccc(cc1Cl)-c1c[nH]c(n1)-c1nccc2ccccc12
BDBM50133761 FC(F)(F)c1cccc(c1)-c1c[nH]c(n1)-c1cccnc1
BDBM50133762 FC(F)(F)Oc1cccc(c1)-c1c[nH]c(n1)-c1cccnc1
BDBM50133763 c1[nH]c(nc1-c1ccccc1)-c1cccnc1
BDBM50133764 COc1ccc(cc1OC)-c1c[nH]c(n1)-c1cccnc1
BDBM50133765 FC(F)(F)c1ccccc1-c1c[nH]c(n1)-c1cccnc1
BDBM50133766 Fc1ccc(cc1F)-c1c[nH]c(n1)-c1cccnc1
BDBM50133767 Clc1ccccc1-c1c[nH]c(n1)-c1cccnc1
BDBM50133768 Clc1ccc(cc1Cl)-c1c[nH]c(n1)-c1cnc2ccccc2c1
BDBM50133769 Cc1cccc(c1)-c1c[nH]c(n1)-c1cccnc1
BDBM50133770 C1CCC(CC1)c1c[nH]c(n1)-c1cccnc1
BDBM50133771 Clc1ccc(cc1Cl)-c1c[nH]c(n1)-c1cc2ccccc2cn1
BDBM50133772 N#Cc1ccc(cc1)-c1c[nH]c(n1)-c1cccnc1
BDBM50133773 Cc1[nH]c(nc1-c1cccc(Cl)c1)-c1cccnc1
BDBM50133774 c1[nH]c(nc1-c1ccccc1)-c1ccncc1
BDBM50133775 Clc1ccc(cc1Cl)-c1c[nH]c(n1)-c1ccncc1
BDBM50133776 Clc1ccc(cc1Cl)-c1c[nH]c(n1)-c1cnccn1
BDBM50133777 COc1cccc(c1)-c1c[nH]c(n1)-c1cccnc1
BDBM50133778 c1[nH]c(nc1-c1ccccc1)-c1ccccc1
BDBM50133779 Clc1cccc(c1)-c1c[nH]c(n1)-c1cccnc1
BDBM50133780 Clc1ccc(cc1Cl)-c1c[nH]c(n1)-c1cccnc1
BDBM50133781 FC(F)(F)Oc1ccc(cc1)-c1c[nH]c(n1)-c1cccnc1
BDBM50133784 FC(F)(F)c1ccc(cc1)-c1c[nH]c(n1)-c1cccnc1
BDBM50133782 Clc1ccc(cc1)-c1c[nH]c(n1)-c1cccnc1
BDBM50133783 Clc1ccc(cc1Cl)-c1c[nH]c(n1)-c1ccccn1
BDBM50133785 Cc1[nH]c(nc1-c1ccc(Cl)cc1)-c1cccnc1
BDBM50133786 c1[nH]c(nc1-c1ccccc1)-c1ccccn1
BDBM50139095 Clc1ccc(cc1)S(=O)(=O)NC[C@H]1CC[C@@H](CC1)C(=O)NNC(=O)c1cccs1 |wU:12.12,wD:15.19,(-1.89,-5.71,;-.54,-4.98,;.78,-5.79,;2.13,-5.07,;2.18,-3.54,;.87,-2.71,;-.48,-3.44,;3.53,-2.82,;2.77,-1.31,;4.81,-1.61,;4.84,-3.64,;6.2,-2.91,;7.51,-3.73,;8.87,-3.01,;10.17,-3.81,;10.12,-5.35,;8.77,-6.09,;7.45,-5.27,;11.43,-6.16,;11.38,-7.7,;12.78,-5.44,;14.09,-6.25,;15.45,-5.53,;15.49,-3.99,;16.75,-6.33,;16.87,-7.87,;18.36,-8.23,;19.15,-6.93,;18.17,-5.74,)|
BDBM50139096 CC(C)c1cc(C(C)C)c(c(c1)C(C)C)S(=O)(=O)NC[C@H]1CC[C@@H](CC1)C(=O)NNC(=O)c1cc2ccccc2s1 |wU:20.20,wD:23.27,(-2.26,2.08,;-.96,1.26,;-1.02,-.26,;.4,2,;1.71,1.18,;3.06,1.9,;4.16,.81,;5.64,1.21,;3.74,-.68,;3.11,3.43,;1.8,4.26,;.45,3.54,;1.8,5.8,;3.12,6.58,;.45,6.57,;4.46,4.15,;5.74,5.36,;3.71,5.66,;5.77,3.33,;7.14,4.06,;8.44,3.24,;9.8,3.96,;11.1,3.16,;11.05,1.62,;9.7,.89,;8.38,1.7,;12.36,.81,;12.31,-.73,;13.71,1.53,;15.03,.72,;16.38,1.45,;16.43,2.98,;17.68,.65,;17.8,-.89,;19.29,-1.26,;20.02,-2.62,;21.57,-2.67,;22.37,-1.34,;21.64,.02,;20.09,.05,;19.11,1.23,)|
BDBM50139097 O=C(NNC(=O)c1cccs1)[C@H]1CC[C@H](CNS(=O)(=O)c2cccs2)CC1 |wU:14.15,wD:11.11,(10.31,-7.7,;10.36,-6.17,;11.71,-5.44,;13.02,-6.25,;14.37,-5.53,;14.42,-3.99,;15.68,-6.33,;15.8,-7.87,;17.29,-8.23,;18.1,-6.93,;17.1,-5.75,;9.05,-5.35,;9.1,-3.81,;7.8,-3.01,;6.44,-3.73,;5.13,-2.92,;3.76,-3.64,;2.46,-2.82,;3.74,-1.61,;1.7,-1.31,;1.1,-3.54,;.89,-5.06,;-.62,-5.33,;-1.34,-3.97,;-.27,-2.85,;6.37,-5.27,;7.7,-6.09,)|
BDBM50139098 O=C(NNC(=O)c1cc2ccccc2s1)[C@H]1CC[C@H](CNS(=O)(=O)c2cccs2)CC1 |wU:18.20,wD:15.16,(9.45,.83,;9.5,2.37,;10.85,3.09,;12.17,2.29,;13.53,3.01,;13.57,4.55,;14.84,2.21,;14.95,.67,;16.44,.3,;17.17,-1.06,;18.71,-1.1,;19.53,.23,;18.78,1.58,;17.24,1.61,;16.26,2.79,;8.19,3.19,;8.24,4.73,;6.95,5.53,;5.58,4.82,;4.28,5.64,;2.92,4.9,;1.62,5.71,;2.9,6.93,;.85,7.22,;.26,4.99,;.05,3.47,;-1.46,3.21,;-2.18,4.56,;-1.12,5.68,;5.54,3.26,;6.84,2.45,)|
BDBM50139099 Brc1ccc(cc1)S(=O)(=O)NC[C@H]1CC[C@@H](CC1)C(=O)NNC(=O)c1cc2ccccc2s1 |wU:12.12,wD:15.19,(-3.85,-.38,;-2.5,.35,;-1.18,-.47,;.17,.26,;.22,1.79,;-1.09,2.61,;-2.44,1.89,;1.57,2.51,;.82,4.03,;2.85,3.72,;2.88,1.69,;4.25,2.42,;5.55,1.6,;6.91,2.32,;8.21,1.52,;8.16,-.02,;6.81,-.75,;5.49,.06,;9.47,-.84,;9.42,-2.36,;10.82,-.1,;12.14,-.92,;13.49,-.19,;13.54,1.35,;14.8,-1,;14.91,-2.53,;16.41,-2.9,;17.13,-4.25,;18.68,-4.3,;19.49,-2.99,;18.75,-1.63,;17.21,-1.59,;16.22,-.4,)|
BDBM50139100 Brc1ccc(cc1)S(=O)(=O)NC[C@H]1CC[C@@H](CC1)C(=O)NNC(=O)c1cccs1 |wU:12.12,wD:15.19,(-1.88,-5.71,;-.53,-4.98,;.79,-5.79,;2.15,-5.07,;2.19,-3.54,;.89,-2.71,;-.48,-3.44,;3.54,-2.82,;2.78,-1.31,;4.83,-1.61,;4.85,-3.64,;6.21,-2.91,;7.52,-3.73,;8.87,-3.01,;10.18,-3.81,;10.13,-5.35,;8.78,-6.09,;7.46,-5.27,;11.43,-6.16,;11.39,-7.7,;12.79,-5.44,;14.09,-6.25,;15.45,-5.53,;15.49,-3.99,;16.77,-6.33,;16.87,-7.87,;18.36,-8.23,;19.18,-6.93,;18.19,-5.74,)|
BDBM50139101 Clc1ccc(cc1)S(=O)(=O)NC[C@H]1CC[C@@H](CC1)C(=O)NNC(=O)c1cc2ccccc2s1 |wU:12.12,wD:15.19,(-3.68,.26,;-2.31,.99,;-.99,.18,;.36,.9,;.4,2.43,;-.9,3.26,;-2.25,2.53,;1.76,3.15,;1,4.66,;3.04,4.36,;3.06,2.33,;4.43,3.05,;5.74,2.24,;7.1,2.96,;8.39,2.16,;8.35,.62,;7,-.12,;5.67,.7,;9.65,-.19,;9.61,-1.73,;11.01,.53,;12.32,-.28,;13.67,.44,;13.72,1.98,;14.98,-.36,;15.09,-1.9,;16.59,-2.26,;17.31,-3.62,;18.86,-3.67,;19.67,-2.34,;18.92,-.99,;17.4,-.96,;16.4,.23,)|
BDBM50139102 Cc1ccc(cc1)S(=O)(=O)NC[C@H]1CC[C@@H](CC1)C(=O)NNC(=O)c1cccs1 |wU:12.12,wD:15.19,(-2.11,-5.71,;-.76,-4.98,;.56,-5.79,;1.91,-5.07,;1.96,-3.54,;.65,-2.71,;-.72,-3.44,;3.31,-2.82,;2.55,-1.31,;4.59,-1.61,;4.62,-3.64,;5.98,-2.91,;7.28,-3.73,;8.64,-3.01,;9.94,-3.81,;9.9,-5.35,;8.54,-6.09,;7.23,-5.27,;11.2,-6.16,;11.15,-7.7,;12.55,-5.44,;13.86,-6.25,;15.21,-5.53,;15.26,-3.99,;16.53,-6.33,;16.63,-7.87,;18.13,-8.23,;18.94,-6.93,;17.96,-5.74,)|
BDBM50139103 O=C(NNC(=O)c1cccs1)[C@H]1CC[C@H](CNS(=O)(=O)c2ccccc2)CC1 |wU:14.15,wD:11.11,(10.48,-7.7,;10.53,-6.16,;11.88,-5.44,;13.18,-6.25,;14.54,-5.53,;14.58,-3.99,;15.86,-6.33,;15.96,-7.87,;17.45,-8.23,;18.27,-6.93,;17.28,-5.74,;9.22,-5.35,;9.27,-3.81,;7.96,-3.01,;6.61,-3.73,;5.3,-2.91,;3.94,-3.64,;2.64,-2.82,;1.87,-1.31,;3.92,-1.61,;1.28,-3.54,;1.24,-5.07,;-.12,-5.79,;-1.44,-4.98,;-1.39,-3.44,;-.02,-2.71,;6.55,-5.27,;7.87,-6.09,)|
BDBM50139104 CC(C)c1cc(C(C)C)c(c(c1)C(C)C)S(=O)(=O)NC[C@H]1CC[C@@H](CC1)C(=O)NNC(=O)c1cccs1 |wU:20.20,wD:23.27,(-2.77,-5.33,;-1.46,-6.14,;-1.52,-7.67,;-.11,-5.41,;1.21,-6.23,;2.57,-5.5,;3.65,-6.58,;5.14,-6.19,;3.25,-8.08,;2.61,-3.97,;1.31,-3.15,;-.06,-3.87,;1.29,-1.61,;2.62,-.82,;-.05,-.85,;3.96,-3.25,;5.25,-2.04,;3.2,-1.73,;5.27,-4.07,;6.63,-3.34,;7.94,-4.16,;9.29,-3.44,;10.6,-4.24,;10.55,-5.78,;9.2,-6.51,;7.88,-5.7,;11.86,-6.6,;11.81,-8.12,;13.21,-5.86,;14.51,-6.68,;15.87,-5.96,;15.91,-4.42,;17.19,-6.76,;17.29,-8.29,;18.78,-8.66,;19.6,-7.35,;18.61,-6.18,)|
BDBM50139105 Cc1ccc(cc1)S(=O)(=O)NC[C@H]1CC[C@@H](CC1)C(=O)NNC(=O)c1cc2ccccc2s1 |wU:12.12,wD:15.19,(-2.29,-.98,;-.93,-.24,;.38,-1.06,;1.73,-.33,;1.78,1.19,;.47,2.02,;-.88,1.3,;3.13,1.91,;2.38,3.42,;4.42,3.12,;4.44,1.1,;5.81,1.82,;7.11,1,;8.47,1.73,;9.77,.92,;9.72,-.61,;8.37,-1.35,;7.05,-.54,;11.03,-1.43,;10.98,-2.97,;12.38,-.71,;13.7,-1.52,;15.05,-.79,;15.1,.75,;16.36,-1.59,;16.47,-3.13,;17.96,-3.5,;18.69,-4.86,;20.24,-4.91,;21.04,-3.58,;20.31,-2.22,;18.77,-2.19,;17.78,-1.01,)|
BDBM50139106 O=C(NNC(=O)c1cc2ccccc2s1)[C@H]1CC[C@H](CNS(=O)(=O)c2cccc3cccnc23)CC1 |wU:18.20,wD:15.16,(10.69,-5.05,;10.74,-3.52,;12.09,-2.79,;13.41,-3.6,;14.76,-2.88,;14.81,-1.34,;16.07,-3.69,;16.18,-5.21,;17.68,-5.59,;18.4,-6.94,;19.96,-6.99,;20.76,-5.67,;20.03,-4.32,;18.49,-4.28,;17.49,-3.1,;9.43,-2.71,;9.48,-1.17,;8.18,-.36,;6.82,-1.08,;5.51,-.26,;4.14,-.99,;2.83,-.17,;4.12,1.04,;2.08,1.35,;1.48,-.89,;1.43,-2.43,;.08,-3.15,;-1.24,-2.33,;-1.18,-.79,;-2.47,.02,;-2.43,1.54,;-1.07,2.28,;.23,1.46,;.17,-.08,;6.75,-2.62,;8.08,-3.44,)|
BDBM50139107 O=C(NNC(=O)c1cccs1)[C@H]1CC[C@H](CNS(=O)(=O)c2cccc3cccnc23)CC1 |wU:14.15,wD:11.11,(11.06,-8.14,;11.11,-6.61,;12.46,-5.88,;13.77,-6.68,;15.12,-5.96,;15.17,-4.42,;16.44,-6.77,;16.54,-8.29,;18.04,-8.66,;18.85,-7.35,;17.87,-6.19,;9.8,-5.79,;9.85,-4.25,;8.54,-3.44,;7.19,-4.16,;5.89,-3.34,;4.52,-4.07,;3.22,-3.25,;4.5,-2.04,;2.46,-1.75,;1.87,-3.97,;1.82,-5.51,;.47,-6.24,;-.86,-5.42,;-.81,-3.88,;-2.09,-3.06,;-2.04,-1.55,;-.69,-.82,;.61,-1.63,;.56,-3.16,;7.14,-5.7,;8.45,-6.51,)|
BDBM50139108 O=C(NNC(=O)c1cc2ccccc2s1)[C@H]1CC[C@H](CNS(=O)(=O)c2ccccc2)CC1 |wU:18.20,wD:15.16,(14.14,-4.99,;14.19,-3.46,;15.54,-2.73,;16.84,-3.53,;18.2,-2.81,;18.24,-1.27,;19.5,-3.62,;19.62,-5.15,;21.11,-5.51,;21.85,-6.88,;23.4,-6.93,;24.21,-5.6,;23.47,-4.25,;21.93,-4.21,;20.94,-3.04,;12.88,-2.64,;12.93,-1.1,;11.62,-.29,;10.27,-1.01,;8.96,-.19,;7.6,-.92,;6.3,-.1,;5.53,1.4,;7.58,1.11,;4.94,-.82,;4.9,-2.36,;3.54,-3.09,;2.22,-2.27,;2.27,-.73,;3.64,-.01,;10.21,-2.55,;11.53,-3.37,)|
BDBM50145246 Fc1ccc2CCCc3sc(NC[C@H]4CC[C@@H](CC4)NC(=O)C4CC4)nc3-c2c1 |wU:16.19,wD:13.12,(-7.02,-8.24,;-6.77,-6.72,;-7.97,-5.75,;-7.72,-4.25,;-6.29,-3.69,;-6.29,-2.15,;-5.08,-1.22,;-3.57,-1.59,;-2.92,-2.99,;-1.4,-3.2,;-1.14,-4.72,;.3,-5.25,;1.48,-4.25,;2.92,-4.78,;3.18,-6.31,;4.63,-6.84,;5.82,-5.86,;5.55,-4.32,;4.09,-3.79,;7.26,-6.38,;8.45,-5.4,;8.17,-3.88,;9.89,-5.93,;9.88,-7.47,;11.37,-6.33,;-2.5,-5.44,;-3.61,-4.35,;-5.11,-4.67,;-5.36,-6.17,)|
BDBM50145247 Fc1ccc2OCCc3sc(NCC4CCN(CC4)C(=O)CN4CCOCC4)nc3-c2c1
BDBM50145248 Fc1ccc2CCCc3sc(NC[C@H]4CC[C@@H](CC4)NC(=O)c4cccs4)nc3-c2c1 |wU:16.19,wD:13.12,(-7.38,-3.81,;-7.13,-2.27,;-8.33,-1.32,;-8.08,.2,;-6.65,.74,;-6.65,2.28,;-5.44,3.22,;-3.93,2.85,;-3.27,1.46,;-1.75,1.24,;-1.49,-.28,;-.05,-.8,;1.13,.19,;2.58,-.34,;2.84,-1.87,;4.28,-2.39,;5.48,-1.41,;5.21,.11,;3.75,.65,;6.92,-1.95,;8.11,-.97,;7.84,.55,;9.56,-1.5,;9.96,-2.98,;11.5,-3.05,;12.04,-1.6,;10.83,-.64,;-2.85,-.99,;-3.96,.09,;-5.47,-.23,;-5.72,-1.74,)|
BDBM50145249 CCCCC(=O)N1CCC(CNc2nc-3c(CCOc4ccc(OC)cc-34)s2)CC1
BDBM50145250 Fc1ccc2OCCc3sc(NCC4CCN(CC4)C(=O)[C@@H]4CCCO4)nc3-c2c1
BDBM50145251 CC(=O)N1CCC(CNc2nc-3c(CCOc4ccc(F)cc-34)s2)CC1
BDBM50145252 Fc1ccc2CCCc3sc(NCC4CCN(CC4)C(=O)CN4CCOCC4)nc3-c2c1
BDBM50145254 CCCCC(=O)N[C@H]1CC[C@H](CNc2nc-3c(CCCc4ccc(F)cc-34)s2)CC1 |wU:7.6,wD:10.10,(11.52,-5.07,;11.26,-3.55,;9.81,-3.02,;9.55,-1.5,;8.11,-.97,;7.83,.55,;6.91,-1.95,;5.47,-1.41,;4.28,-2.39,;2.83,-1.87,;2.58,-.33,;1.13,.19,;-.05,-.8,;-1.49,-.28,;-2.85,-.99,;-3.96,.09,;-3.27,1.46,;-3.92,2.85,;-5.43,3.22,;-6.65,2.28,;-6.65,.74,;-8.07,.2,;-8.33,-1.32,;-7.12,-2.27,;-7.37,-3.81,;-5.72,-1.74,;-5.47,-.23,;-1.75,1.24,;3.75,.65,;5.21,.11,)|
BDBM50145255 CC(C)N1CCN(CC(=O)N[C@H]2CC[C@H](CNc3nc-4c(CCCc5ccc(F)cc-45)s3)CC2)CC1 |wU:11.10,wD:14.14,(8.5,-8.45,;9.78,-7.59,;11.16,-8.29,;9.69,-6.07,;10.97,-5.21,;10.88,-3.67,;9.5,-2.99,;9.4,-1.45,;8.03,-.78,;8.03,.72,;6.66,-1.82,;5.23,-1.29,;4.04,-2.27,;2.6,-1.73,;2.34,-.22,;.89,.32,;-.3,-.68,;-1.73,-.15,;-3.1,-.87,;-4.19,.23,;-3.52,1.58,;-4.17,2.98,;-5.66,3.35,;-6.88,2.4,;-6.88,.86,;-8.32,.32,;-8.56,-1.19,;-7.37,-2.15,;-7.6,-3.67,;-5.94,-1.61,;-5.71,-.1,;-2,1.37,;3.51,.77,;4.95,.23,;8.21,-3.83,;8.31,-5.37,)|
BDBM50145256 COC[C@@H]1CCCN1CC(=O)N1CCC(CNc2nc-3c(CCCc4ccc(F)cc-34)s2)CC1
BDBM50145257 CC(C)OCC(=O)N1CCC(CNc2nc-3c(CCOc4ccc(C)cc-34)s2)CC1
BDBM50145258 COCC(=O)N1CCC(CNc2nc-3c(CCOc4ccc(F)cc-34)s2)CC1
BDBM50145259 CN(C)CC(=O)N1CCC(CNc2nc-3c(CCCc4ccc(F)cc-34)s2)CC1
BDBM50145260 Cc1ccc2OCCc3sc(NCC4CCN(CC4)C(=O)c4ccccn4)nc3-c2c1
BDBM50145261 Fc1ccc2CCCc3sc(NC[C@H]4CC[C@@H](CC4)NC(=O)CC4CC4)nc3-c2c1 |wU:16.19,wD:13.12,(-7.38,-3.81,;-7.13,-2.27,;-8.33,-1.32,;-8.08,.2,;-6.65,.74,;-6.65,2.28,;-5.44,3.22,;-3.93,2.85,;-3.27,1.46,;-1.75,1.24,;-1.49,-.28,;-.05,-.8,;1.13,.19,;2.58,-.33,;2.83,-1.87,;4.28,-2.39,;5.48,-1.41,;5.21,.11,;3.75,.65,;6.92,-1.95,;8.11,-.97,;7.83,.55,;9.56,-1.5,;9.81,-3.02,;9.03,-4.35,;11.14,-3.79,;-2.85,-.99,;-3.96,.09,;-5.47,-.23,;-5.72,-1.74,)|
BDBM50145262 CC(C)C(=O)N1CCC(CNc2nc-3c(CCOc4cc(F)c(F)cc-34)s2)CC1
BDBM50145263 CN(C)S(=O)(=O)NC[C@H]1CC[C@@H](CC1)Nc1nc-2c(s1)-c1ccccc1Sc1ccccc-21 |wU:11.14,wD:8.7,(10.81,6.33,;11.08,4.81,;12.52,4.27,;9.9,3.81,;10.88,2.63,;8.92,5,;8.72,2.83,;7.28,3.36,;6.09,2.36,;4.64,2.89,;3.47,1.91,;3.73,.39,;5.18,-.14,;6.36,.86,;2.53,-.61,;1.1,-.08,;-.27,-.8,;-1.37,.3,;-.69,1.66,;.83,1.44,;-1.35,3.06,;-.27,4.18,;-.7,5.65,;-2.21,6.03,;-3.27,4.91,;-2.84,3.43,;-4.06,2.49,;-4.07,.95,;-5.5,.4,;-5.74,-1.11,;-4.55,-2.08,;-3.13,-1.53,;-2.89,-.03,)|
BDBM50145264 COCCCNCC(=O)N1CCC(CNc2nc-3c(CCCc4ccc(F)cc-34)s2)CC1
BDBM50145265 CS(=O)(=O)NC[C@H]1CC[C@@H](CC1)Nc1nc(cs1)-c1ccc(F)cc1 |wU:9.12,wD:6.5,(11.02,4.84,;9.92,3.75,;11.37,3.19,;9.68,5.26,;8.73,2.77,;7.28,3.3,;6.09,2.33,;4.66,2.87,;3.46,1.9,;3.72,.39,;5.16,-.16,;6.35,.81,;2.54,-.59,;1.1,-.05,;-.19,-.91,;-1.39,.06,;-.86,1.49,;.68,1.42,;-2.87,-.36,;-3.96,.72,;-5.45,.3,;-5.85,-1.19,;-7.32,-1.59,;-4.75,-2.27,;-3.26,-1.87,)|
BDBM50145266 COCCC(=O)N1CCC(CNc2nc-3c(CCCc4ccc(F)cc-34)s2)CC1
BDBM50145267 CCOC(=O)N1CCC(CNc2nc-3c(CCCc4ccc(F)cc-34)s2)CC1
BDBM50145268 Fc1ccc2CCCc3sc(NC[C@H]4CC[C@@H](CC4)NC(=O)CN4CCCCC4)nc3-c2c1 |wU:16.19,wD:13.12,(-7.6,-3.67,;-7.37,-2.15,;-8.56,-1.19,;-8.32,.32,;-6.88,.86,;-6.88,2.4,;-5.66,3.35,;-4.17,2.98,;-3.52,1.58,;-2,1.37,;-1.73,-.15,;-.3,-.68,;.89,.32,;2.34,-.22,;2.6,-1.73,;4.04,-2.27,;5.23,-1.29,;4.95,.23,;3.51,.77,;6.66,-1.82,;8.03,-.78,;8.03,.72,;9.4,-1.45,;9.5,-2.99,;10.88,-3.67,;10.97,-5.21,;9.69,-6.07,;8.31,-5.37,;8.21,-3.83,;-3.1,-.87,;-4.19,.23,;-5.71,-.1,;-5.94,-1.61,)|
BDBM50145269 CC(=O)NC1CCN(CC(=O)Nc2nc-3c(CCCc4ccc(F)cc-34)s2)CC1
BDBM50145270 Fc1ccc2CCCc3sc(NCC4CCN(CC4)C(=O)C4CCOC4)nc3-c2c1
BDBM50145271 Fc1ccc2CCCc3sc(NCC4CCN(CC4)C(=O)c4ccccc4F)nc3-c2c1
BDBM50145272 CN(CC1CC1)CC(=O)N1CCC(CNc2nc-3c(CCCc4ccc(F)cc-34)s2)CC1
BDBM50145273 CCOCC(=O)N1CCC(CNc2nc-3c(CCOc4ccc(F)cc-34)s2)CC1
BDBM50145274 Fc1ccc2OCCc3sc(NCC4CCN(CC4)C(=O)CN4CCCCC4)nc3-c2c1
BDBM50145275 Fc1ccc2CCCc3sc(NCC4CCN(CC4)C(=O)CNCC4CCCO4)nc3-c2c1
BDBM50145276 CCCCC(=O)N1CCC(CNc2nc-3c(CCOc4cc(F)c(Cl)cc-34)s2)CC1
BDBM50145277 COCCNCC(=O)N1CCC(CNc2nc-3c(CCCc4ccc(F)cc-34)s2)CC1
BDBM50145278 COc1ccc2OCCc3sc(NCC4CCN(CC4)C(=O)CCN4CCCCC4)nc3-c2c1
BDBM50145279 COCC(=O)N1CCC(CNc2nc-3c(CCCc4ccc(F)cc-34)s2)CC1
BDBM50145280 Fc1ccc2CCCc3sc(NCC4CCN(CC4)C(=O)C4CC4)nc3-c2c1
BDBM50145281 CC(C)C(=O)N1CCC(CNc2nc-3c(CCOc4cc(Cl)c(F)cc-34)s2)CC1
BDBM50145282 CC(C)C(=O)N1CCC(CNc2nc-3c(CCCc4ccc(F)cc-34)s2)CC1
BDBM50145283 O=C(CN1CCCCC1)N1CCC(CNc2nc-3c(CCCc4ccccc-34)s2)CC1
BDBM50145284 CCCCC(=O)N1CCC(CNc2nc-3c(CCOc4cc(F)c(F)cc-34)s2)CC1
BDBM50145285 CCCCC(=O)N1CCC(CNc2nc-3c(CCOc4ccc(C)cc-34)s2)CC1
BDBM50145286 Cc1ccc2OCCc3sc(NCC4CCN(CC4)C(=O)[C@@H]4CCCO4)nc3-c2c1
BDBM50145287 Fc1ccc2OCCc3sc(NCC4CCN(CC4)C(=O)[C@H]4CCCO4)nc3-c2c1
BDBM50145288 CN(C)C(=O)CCCCNc1nc-2c(CCCc3ccc(F)cc-23)s1
BDBM50145289 Fc1ccc2CCCc3sc(NCC4CCN(CC4)C(=O)[C@H]4CCCO4)nc3-c2c1
BDBM50145290 COCCC(=O)N1CCC(CNc2nc-3c(CCOc4ccc(F)cc-34)s2)CC1
BDBM50145291 CCOCC(=O)N1CCC(CNc2nc-3c(CCOc4ccc(C)cc-34)s2)CC1
BDBM50145292 CC(=O)C1(CCC(CC(=O)Nc2nc-3c(CCCc4ccc(F)cc-34)s2)CC1)c1ccccc1 |(10.81,1.49,;9.72,.39,;10.12,-1.1,;8.24,.79,;6.79,1.32,;5.59,.34,;5.86,-1.17,;4.67,-2.15,;3.22,-1.61,;2.97,-.09,;2.03,-2.6,;.59,-2.08,;-.77,-2.79,;-1.88,-1.7,;-1.19,-.33,;-1.84,1.05,;-3.35,1.42,;-4.57,.48,;-4.57,-1.06,;-5.99,-1.6,;-6.25,-3.11,;-5.04,-4.07,;-5.29,-5.6,;-3.63,-3.53,;-3.39,-2.03,;.33,-.56,;7.29,-1.71,;8.48,-.73,;8.64,2.28,;7.55,3.38,;7.94,4.87,;9.44,5.27,;10.54,4.19,;10.14,2.69,)|
BDBM50145293 Fc1ccc2CCCc3sc(NC[C@H]4CC[C@@H](CC4)N4CCCC4=O)nc3-c2c1 |wU:16.19,wD:13.12,(-9.5,-6.2,;-9.26,-4.67,;-10.45,-3.7,;-10.2,-2.19,;-8.77,-1.64,;-8.77,-.1,;-7.56,.83,;-6.05,.46,;-5.39,-.93,;-3.88,-1.15,;-3.61,-2.67,;-2.17,-3.2,;-1,-2.2,;.45,-2.73,;.71,-4.26,;2.16,-4.79,;3.35,-3.81,;3.08,-2.27,;1.63,-1.74,;4.79,-4.33,;5.21,-5.81,;6.75,-5.87,;7.28,-4.42,;6.08,-3.46,;6.13,-1.92,;-4.97,-3.39,;-6.09,-2.3,;-7.59,-2.62,;-7.84,-4.12,)|
BDBM50145294 CC(C)C(=O)N1CCC(CNc2nc-3c(CCOc4cc(F)c(Cl)cc-34)s2)CC1
BDBM50145295 Fc1ccc2CCCc3sc(NCC4CCN(CC4)C(=O)CN4CCCCC4)nc3-c2c1
BDBM50145296 CN1CCN(CC(=O)N2CCC(CNc3nc-4c(CCCc5ccc(F)cc-45)s3)CC2)CC1
BDBM50145232 Cc1ccc2OCCc3sc(NCC4CCN(CC4)C(=O)[C@H]4CCCO4)nc3-c2c1
BDBM50145233 Clc1ccc2CCCc3sc(NCC4CCN(CC4)C(=O)CN4CCCCC4)nc3-c2c1
BDBM50145234 CN(C)CC(=O)N[C@H]1CC[C@H](CNc2nc-3c(CCCc4ccc(F)cc-34)s2)CC1 |wU:7.6,wD:10.10,(11.41,-2.32,;9.96,-1.78,;9.69,-.26,;8.78,-2.76,;7.33,-2.23,;7.06,-.71,;6.13,-3.21,;4.68,-2.67,;3.49,-3.66,;2.06,-3.13,;1.8,-1.6,;.35,-1.08,;-.83,-2.07,;-2.28,-1.54,;-3.64,-2.25,;-4.75,-1.17,;-4.06,.2,;-4.72,1.59,;-6.22,1.96,;-7.44,1.02,;-7.45,-.52,;-8.88,-1.06,;-9.12,-2.58,;-7.92,-3.54,;-8.16,-5.07,;-6.5,-3,;-6.26,-1.5,;-2.54,-.02,;2.98,-.62,;4.43,-1.15,)|
BDBM50145235 Fc1ccc2CCCc3sc(NCC4CCN(CC4)C(=O)[C@@H]4CCCO4)nc3-c2c1
BDBM50145236 CCCCC(=O)N1CCC(CNc2nc-3c(CCOc4ccc(F)cc-34)s2)CC1
BDBM50145237 Fc1ccc2CCCc3sc(NC[C@H]4CC[C@@H](CC4)NC(=O)CCN4CCCCC4)nc3-c2c1 |wU:16.19,wD:13.12,(-8.62,-4.21,;-8.37,-2.67,;-9.57,-1.71,;-9.32,-.19,;-7.89,.34,;-7.89,1.88,;-6.68,2.83,;-5.16,2.45,;-4.51,1.07,;-2.99,.84,;-2.73,-.68,;-1.29,-1.2,;-.11,-.21,;1.34,-.73,;1.6,-2.27,;3.05,-2.79,;4.24,-1.81,;3.97,-.29,;2.52,.25,;5.68,-2.34,;7.04,-1.29,;7.04,.19,;8.42,-1.97,;9.71,-1.12,;11.08,-1.81,;12.37,-.94,;13.75,-1.64,;13.84,-3.19,;12.56,-4.03,;11.18,-3.35,;-4.09,-1.39,;-5.2,-.29,;-6.71,-.63,;-6.96,-2.13,)|
BDBM50145238 Fc1ccc2CCCc3sc(NCC4CCN(CC4)C(=O)CNCC4CC4)nc3-c2c1
BDBM50145239 CC(=O)N1CCC(CNc2nc-3c(CCCc4ccc(F)cc-34)s2)CC1
BDBM50145240 CN(C)CCCC(=O)N[C@H]1CC[C@H](CNc2nc-3c(CCCc4ccc(F)cc-34)s2)CC1 |wU:9.8,wD:12.12,(13.75,-1.64,;12.37,-.94,;12.27,.58,;11.08,-1.81,;9.71,-1.12,;8.42,-1.97,;7.04,-1.29,;7.04,.19,;5.68,-2.34,;4.24,-1.81,;3.05,-2.79,;1.6,-2.27,;1.34,-.73,;-.11,-.21,;-1.29,-1.2,;-2.73,-.68,;-4.09,-1.39,;-5.2,-.29,;-4.51,1.07,;-5.16,2.45,;-6.68,2.83,;-7.89,1.88,;-7.89,.34,;-9.32,-.19,;-9.57,-1.71,;-8.37,-2.67,;-8.62,-4.21,;-6.96,-2.13,;-6.71,-.63,;-2.99,.84,;2.52,.25,;3.97,-.29,)|
BDBM50145241 Fc1ccc2CCCc3sc(NCC4CCN(CC4)C(=O)[C@H]4CCC(=O)O4)nc3-c2c1
BDBM50145242 CC(C)C(=O)N1CCC(CNc2nc-3c(CCOc4ccc(C)cc-34)s2)CC1
BDBM50145243 CN(C)S(=O)(=O)NC[C@H]1CC[C@@H](CC1)Nc1nc-2c(CCSc3ccc(F)cc-23)s1 |wU:11.14,wD:8.7,(18.84,-5.25,;17.4,-4.72,;17.13,-3.19,;16.22,-5.71,;15.23,-4.53,;17.2,-6.89,;15.04,-6.7,;13.59,-6.17,;12.4,-7.17,;10.95,-6.64,;9.77,-7.62,;10.03,-9.14,;11.48,-9.67,;12.67,-8.67,;8.84,-10.14,;7.4,-9.61,;6.03,-10.33,;4.93,-9.24,;5.61,-7.85,;4.95,-6.47,;3.45,-6.1,;2.23,-7.03,;2.23,-8.58,;.8,-9.13,;.55,-10.64,;1.74,-11.62,;1.51,-13.15,;3.17,-11.06,;3.4,-9.56,;7.13,-8.09,)|
BDBM50145244 COC(=O)N[C@H]1CC[C@H](CNc2nc-3c(CCCc4ccc(F)cc-34)s2)CC1 |wU:5.4,wD:8.8,(9.81,-3.02,;9.56,-1.5,;8.11,-.97,;7.84,.55,;6.92,-1.95,;5.48,-1.41,;4.28,-2.39,;2.84,-1.87,;2.58,-.34,;1.13,.19,;-.05,-.8,;-1.49,-.28,;-2.85,-.99,;-3.96,.09,;-3.27,1.46,;-3.93,2.85,;-5.44,3.22,;-6.65,2.28,;-6.65,.74,;-8.08,.2,;-8.33,-1.32,;-7.13,-2.27,;-7.38,-3.81,;-5.72,-1.74,;-5.47,-.23,;-1.75,1.24,;3.75,.65,;5.21,.11,)|
BDBM50145245 Nc1nc-2c(s1)-c1ccccc1Sc1ccccc-21
BDBM50145297 CCCN(C)CC(=O)N[C@H]1CC[C@H](CNc2nc-3c(CCCc4ccc(F)cc-34)s2)CC1 |wU:9.8,wD:12.12,(12.01,-5.4,;10.97,-4.26,;11.45,-2.79,;10.42,-1.33,;10.82,.18,;9.08,-1.8,;8.03,-.78,;8.03,.72,;6.66,-1.82,;5.23,-1.29,;4.04,-2.27,;2.6,-1.74,;2.34,-.22,;.89,.32,;-.3,-.68,;-1.73,-.15,;-3.1,-.87,;-4.19,.23,;-3.52,1.58,;-4.17,2.98,;-5.66,3.35,;-6.88,2.4,;-6.89,.86,;-8.33,.32,;-8.56,-1.19,;-7.37,-2.16,;-7.6,-3.67,;-5.94,-1.61,;-5.71,-.1,;-2,1.37,;3.51,.77,;4.96,.23,)|
BDBM50145298 CN(CC1CC1)CC(=O)N1CCC(CNc2nc-3c(CCOc4ccc(F)cc-34)s2)CC1
BDBM50145253 Fc1ccc(cc1)-c1csc(Nc2ccccc2)n1
BDBM50166560 CN(C)c1nc(NC2CCC(CNS(=O)(=O)c3ccc(Br)cc3OC(F)(F)F)CC2)nc2ccccc12 |(-5.24,-.68,;-3.84,-1.33,;-2.58,-.44,;-3.84,-2.87,;-2.49,-3.65,;-2.47,-5.2,;-1.16,-5.96,;.17,-5.19,;.16,-3.65,;1.49,-2.88,;2.83,-3.64,;4.16,-2.86,;5.49,-3.63,;6.82,-2.85,;7.58,-4.19,;5.73,-1.76,;8.13,-2.04,;9.48,-2.76,;10.79,-1.97,;10.76,-.43,;12.07,.39,;9.41,.3,;8.1,-.5,;6.74,.23,;6.7,1.77,;5.16,1.77,;8.24,1.77,;6.68,3.31,;2.83,-5.18,;1.5,-5.96,;-3.82,-5.98,;-5.17,-5.21,;-6.5,-5.98,;-7.83,-5.21,;-7.83,-3.66,;-6.5,-2.89,;-5.17,-3.66,)|
BDBM50166561 Nc1nc(NCC2CCC(CNS(=O)(=O)c3cccc4ccccc34)CC2)nc2ccccc12 |(-3.12,3.75,;-3.12,2.21,;-1.77,1.44,;-1.75,-.12,;-.44,-.89,;.91,-.12,;2.24,-.9,;3.57,-.12,;4.91,-.91,;4.89,-2.45,;6.22,-3.23,;7.57,-2.46,;8.9,-3.25,;9.65,-1.9,;7.79,-4.33,;10.21,-4.05,;11.56,-3.32,;12.87,-4.12,;12.83,-5.66,;11.48,-6.4,;11.43,-7.93,;10.09,-8.67,;8.77,-7.86,;8.81,-6.31,;10.17,-5.59,;3.56,-3.21,;2.23,-2.44,;-3.1,-.9,;-4.45,-.12,;-5.78,-.9,;-7.12,-.12,;-7.12,1.42,;-5.78,2.19,;-4.45,1.42,)|
BDBM50166562 FC(F)(F)Oc1cc(Br)ccc1S(=O)(=O)NCC1CCC(CNc2ncc3ccccc3n2)CC1 |(6.79,-3.41,;8.33,-3.41,;9.87,-3.41,;8.33,-4.95,;8.38,-1.87,;9.73,-1.15,;11.04,-1.96,;12.39,-1.22,;13.71,-2.03,;12.44,.33,;11.13,1.12,;9.78,.39,;8.47,1.2,;9.22,2.53,;7.37,.11,;7.14,1.97,;5.81,1.21,;4.48,2,;3.13,1.23,;1.8,2.01,;1.83,3.54,;.5,4.31,;-.84,3.56,;-2.16,4.31,;-2.17,5.87,;-3.52,6.65,;-4.85,5.87,;-6.2,6.62,;-7.53,5.87,;-7.53,4.31,;-6.2,3.54,;-4.85,4.31,;-3.51,3.54,;3.16,4.31,;4.49,3.54,)|
BDBM50166563 CN(C)c1nc(NC2CCC(CC2)NS(=O)(=O)c2ccc(Br)cc2OC(F)(F)F)nc2ccccc12 |(-4.36,.26,;-2.96,-.38,;-1.7,.51,;-2.94,-1.92,;-1.59,-2.69,;-1.58,-4.25,;-.26,-5.02,;1.07,-4.25,;1.06,-2.71,;2.39,-1.92,;3.72,-2.69,;3.73,-4.23,;2.4,-5.02,;5.06,-1.92,;6.39,-2.71,;7.15,-1.36,;5.3,-3.79,;7.7,-3.51,;9.05,-2.78,;10.36,-3.58,;10.32,-5.12,;11.63,-5.93,;8.97,-5.86,;7.66,-5.05,;6.31,-5.79,;6.26,-7.31,;6.25,-8.85,;4.72,-7.31,;7.8,-7.31,;-2.93,-5.02,;-4.27,-4.25,;-5.62,-5.02,;-6.95,-4.25,;-6.95,-2.71,;-5.62,-1.94,;-4.29,-2.71,)|
BDBM50166564 CN(C)c1nc(NCC2CCC(CNS(C)(=O)=O)CC2)nc2ccccc12 |(-4.52,4.4,;-3.12,3.75,;-1.82,4.59,;-3.12,2.21,;-1.77,1.44,;-1.75,-.12,;-.44,-.89,;.91,-.12,;2.24,-.89,;3.57,-.12,;4.9,-.91,;4.88,-2.45,;6.21,-3.23,;7.56,-2.46,;8.89,-3.24,;10.2,-4.04,;7.78,-4.32,;9.64,-1.9,;3.55,-3.2,;2.22,-2.43,;-3.1,-.89,;-4.45,-.12,;-5.78,-.89,;-7.11,-.12,;-7.11,1.42,;-5.78,2.19,;-4.45,1.42,)|
BDBM50166565 FC(F)(F)Oc1cc(Br)ccc1S(=O)(=O)NC1CCC(CC1)Nc1ncc2ccccc2n1 |(8.56,3.94,;7.02,3.94,;7.01,5.48,;5.48,3.94,;7.07,2.4,;8.42,1.67,;9.73,2.47,;11.08,1.74,;12.4,2.56,;11.11,.2,;9.81,-.61,;8.45,.13,;7.15,-.68,;6.05,.41,;7.92,-2.01,;5.82,-1.45,;4.49,-.68,;3.15,-1.45,;1.82,-.68,;1.83,.86,;3.16,1.63,;4.49,.86,;.5,1.63,;-.82,.88,;-.83,-.68,;-2.19,-1.45,;-3.52,-.66,;-4.85,-1.43,;-6.18,-.66,;-6.18,.88,;-4.85,1.65,;-3.52,.88,;-2.16,1.65,)|
BDBM50166551 CN(C)c1nc(NCC2CCN(CC2)S(=O)(=O)c2ccc(Br)cc2OC(F)(F)F)nc2ccccc12
BDBM50166552 CN(C)c1nc(NCC2CCC(CC2)NS(=O)(=O)c2ccc(Br)cc2OC(F)(F)F)nc2ccccc12 |(-3.05,2.98,;-4.31,2.09,;-5.71,2.73,;-4.31,.55,;-2.96,-.23,;-2.94,-1.78,;-1.63,-2.55,;-.28,-1.78,;1.05,-2.55,;2.38,-1.78,;3.71,-2.58,;3.7,-4.12,;2.37,-4.88,;1.04,-4.09,;5.03,-4.89,;6.36,-4.12,;7.12,-5.45,;5.26,-3.02,;7.67,-3.3,;9.02,-4.05,;10.33,-3.25,;10.3,-1.69,;11.61,-.89,;8.94,-.97,;7.64,-1.77,;6.28,-1.04,;6.23,.51,;6.22,2.05,;4.68,.49,;7.76,.51,;-4.29,-2.57,;-5.64,-1.8,;-6.97,-2.57,;-8.3,-1.8,;-8.3,-.24,;-6.97,.53,;-5.64,-.24,)|
BDBM50166554 Nc1nc(NCC2CCC(CNS(=O)(=O)c3ccc(Br)cc3OC(F)(F)F)CC2)nc2ccccc12 |(-3.12,3.75,;-3.12,2.21,;-1.77,1.44,;-1.75,-.12,;-.44,-.89,;.91,-.12,;2.24,-.89,;3.57,-.12,;4.9,-.91,;4.88,-2.45,;6.21,-3.23,;7.56,-2.46,;8.89,-3.24,;9.64,-1.9,;7.78,-4.32,;10.2,-4.04,;11.55,-3.32,;12.86,-4.11,;12.82,-5.65,;14.12,-6.47,;11.46,-6.39,;10.16,-5.58,;8.8,-6.32,;8.76,-7.86,;7.22,-7.85,;10.3,-7.86,;8.75,-9.4,;3.55,-3.2,;2.22,-2.43,;-3.1,-.89,;-4.45,-.12,;-5.78,-.89,;-7.11,-.12,;-7.11,1.42,;-5.78,2.19,;-4.45,1.42,)|
BDBM50166555 CN(C)c1nc(NCC2CCC(CNS(=O)(=O)c3ccc(Br)cc3OC(F)(F)F)CC2)nc2ccccc12 |(-1.86,4.64,;-3.12,3.75,;-4.52,4.4,;-3.12,2.21,;-1.77,1.44,;-1.75,-.12,;-.44,-.89,;.91,-.12,;2.24,-.89,;3.57,-.12,;4.9,-.91,;4.88,-2.45,;6.21,-3.23,;7.56,-2.46,;8.89,-3.24,;7.78,-4.32,;9.64,-1.9,;10.2,-4.04,;11.55,-3.32,;12.86,-4.11,;12.82,-5.65,;14.12,-6.47,;11.46,-6.39,;10.16,-5.58,;8.8,-6.32,;8.76,-7.86,;7.22,-7.85,;10.3,-7.86,;8.75,-9.4,;3.55,-3.2,;2.22,-2.43,;-3.1,-.89,;-4.45,-.12,;-5.78,-.89,;-7.11,-.12,;-7.11,1.42,;-5.78,2.19,;-4.45,1.42,)|
BDBM50166556 CN(C)c1nc(NC2CCN(CC2)S(=O)(=O)c2ccc(Br)cc2OC(F)(F)F)nc2ccccc12
BDBM50166557 FC(F)(F)Oc1cc(Br)ccc1S(=O)(=O)NCC1CCC(CC1)Nc1ncc2ccccc2n1 |(8.97,4.75,;7.43,4.75,;7.42,6.29,;5.89,4.74,;7.47,3.21,;8.83,2.49,;10.13,3.28,;11.49,2.56,;12.79,3.36,;11.53,1,;10.22,.21,;8.87,.95,;7.56,.13,;6.45,1.23,;8.31,-1.2,;6.23,-.64,;4.88,.12,;3.55,-.66,;2.22,.11,;.89,-.68,;.91,-2.22,;2.24,-2.99,;3.57,-2.2,;-.42,-2.99,;-1.74,-2.22,;-1.75,-.66,;-3.1,.11,;-4.45,-.68,;-5.78,.09,;-7.11,-.68,;-7.11,-2.22,;-5.78,-2.99,;-4.43,-2.22,;-3.1,-2.99,)|
BDBM50166559 CCCCS(=O)(=O)NCC1CCC(CNc2nc(N(C)C)c3ccccc3n2)CC1 |(14.22,-3.39,;12.86,-4.13,;11.56,-3.32,;10.2,-4.04,;8.89,-3.24,;7.78,-4.32,;9.64,-1.9,;7.56,-2.46,;6.21,-3.23,;4.88,-2.45,;4.9,-.91,;3.57,-.12,;2.24,-.89,;.91,-.12,;-.44,-.89,;-1.75,-.12,;-1.77,1.44,;-3.12,2.21,;-3.12,3.75,;-4.52,4.4,;-1.82,4.59,;-4.45,1.42,;-5.78,2.19,;-7.11,1.42,;-7.11,-.12,;-5.78,-.89,;-4.45,-.12,;-3.1,-.89,;2.22,-2.43,;3.55,-3.2,)|
BDBM50170175 CN(C)c1nc(NC2CCC(CC2)NCc2ccc(Br)cc2OC(F)(F)F)nc2ccccc12 |(8.32,-4.94,;6.98,-5.71,;5.64,-4.94,;6.98,-7.26,;8.32,-8.03,;8.32,-9.57,;9.66,-10.37,;10.76,-9.27,;10.76,-10.8,;12.07,-11.57,;13.42,-10.81,;13.42,-9.27,;12.09,-8.5,;14.75,-11.58,;16.09,-12.35,;17.42,-11.57,;17.4,-10.04,;18.73,-9.26,;20.07,-10.02,;21.4,-9.24,;20.08,-11.56,;18.76,-12.35,;18.76,-13.89,;20.09,-14.66,;21.61,-14.08,;21.32,-15.35,;20.37,-16.23,;6.98,-10.34,;5.64,-9.57,;4.31,-10.34,;2.98,-9.57,;2.98,-8.04,;4.31,-7.26,;5.64,-8.03,)|
BDBM50170177 CN(C)c1nc(NCC2CCC(CNCc3ccc(Br)cc3OC(F)(F)F)CC2)nc2ccccc12 |(-6.75,-12.89,;-5.42,-13.66,;-4.07,-12.89,;-5.42,-15.21,;-4.07,-15.98,;-4.07,-17.52,;-2.73,-18.32,;-1.39,-17.54,;-.06,-18.31,;1.27,-17.54,;2.6,-18.32,;2.6,-19.86,;3.94,-20.63,;5.27,-19.85,;6.6,-20.62,;7.93,-19.84,;7.91,-18.31,;9.24,-17.52,;10.59,-18.28,;11.92,-17.5,;10.6,-19.83,;9.27,-20.61,;9.27,-22.15,;10.62,-22.92,;11.84,-23.62,;10.88,-24.5,;12.12,-22.34,;1.26,-20.61,;-.06,-19.84,;-5.42,-18.29,;-6.75,-17.52,;-8.08,-18.29,;-9.41,-17.52,;-9.41,-15.99,;-8.08,-15.21,;-6.75,-15.98,)|
BDBM50170178 CN(C)c1nc(N[C@@H]2CC[C@H](CNS(=O)(=O)c3ccc(Br)cc3OC(F)(F)F)CC2)nc2ccccc12 |wU:7.6,10.10,(-1.09,4.52,;-2.42,3.73,;-3.75,4.5,;-2.4,2.19,;-1.07,1.44,;-1.07,-.12,;.28,-.89,;1.62,-.12,;2.92,-.89,;4.25,-.12,;4.27,1.4,;5.61,2.16,;6.94,1.39,;8.27,2.17,;9.6,2.96,;6.93,2.94,;9.75,1.79,;9.76,.25,;11.11,-.51,;12.42,.27,;13.77,-.5,;12.42,1.81,;11.07,2.57,;11.06,4.12,;12.39,4.89,;13.89,4.33,;12.63,6.48,;13.59,5.6,;2.95,2.19,;1.62,1.42,;-2.4,-.89,;-3.73,-.12,;-5.06,-.89,;-6.39,-.12,;-6.39,1.42,;-5.06,2.19,;-3.73,1.42,)|
BDBM50170184 CN(C)c1nc(N[C@H]2CC[C@H](CC2)NS(=O)(=O)c2ccc(Br)cc2OC(F)(F)F)nc2ccccc12 |wU:7.6,10.13,(1.6,-1.57,;2.94,-2.34,;4.28,-1.57,;2.95,-3.89,;4.28,-4.66,;4.3,-6.2,;5.64,-6.97,;6.97,-6.2,;6.99,-4.68,;8.3,-3.91,;9.63,-4.68,;9.63,-6.22,;8.3,-6.97,;10.97,-3.91,;12.3,-3.14,;13.63,-2.34,;10.8,-2.74,;13.79,-3.51,;13.79,-5.06,;15.14,-5.83,;16.46,-5.06,;17.81,-5.8,;16.46,-3.49,;15.1,-2.74,;15.09,-1.2,;16.43,-.41,;16.69,1.18,;17.65,.3,;17.93,-.97,;2.97,-6.97,;1.62,-6.2,;.29,-6.99,;-1.04,-6.22,;-1.04,-4.68,;.29,-3.89,;1.62,-4.66,)|
BDBM50170186 CN(C)c1nc(NC2CCN(Cc3ccc(Br)cc3OC(F)(F)F)CC2)nc2ccccc12
BDBM50170187 CN(C)c1nc(NCC2CCC(CN(C)S(=O)(=O)c3ccc(Br)cc3OC(F)(F)F)CC2)nc2ccccc12 |(-6.25,5.67,;-7.59,4.9,;-8.94,5.67,;-7.59,3.36,;-6.25,2.59,;-6.25,1.04,;-4.9,.25,;-3.57,1.03,;-2.24,.26,;-2.24,-1.27,;-.93,-2.04,;.42,-1.29,;1.75,-2.06,;3.08,-1.29,;3.07,.26,;4.42,-2.06,;4.4,-3.6,;4.4,-.51,;5.75,-1.27,;5.73,.26,;7.06,1.04,;8.4,.28,;9.73,1.07,;8.41,-1.26,;7.09,-2.04,;7.09,-3.58,;8.42,-4.35,;9.65,-5.05,;8.69,-5.93,;9.94,-3.77,;.42,.25,;-.91,1.03,;-7.59,.27,;-8.92,1.04,;-10.25,.27,;-11.59,1.04,;-11.59,2.57,;-10.25,3.36,;-8.92,2.59,)|
BDBM50170189 CN(C)c1nc(NC[C@H]2CC[C@H](CNS(=O)(=O)c3ccc(Br)cc3OC(F)(F)F)CC2)nc2ccccc12 |wU:8.7,wD:11.11,(2.23,-6.29,;3.56,-7.05,;4.89,-6.27,;3.58,-8.59,;4.92,-9.36,;4.92,-10.9,;6.27,-11.68,;7.6,-10.9,;8.93,-11.68,;10.25,-10.9,;11.58,-11.68,;11.57,-13.22,;12.91,-13.99,;13.99,-12.89,;15.32,-13.66,;16.42,-14.76,;13.99,-14.43,;16.66,-12.89,;16.65,-11.35,;17.96,-10.57,;19.32,-11.32,;20.65,-10.55,;19.32,-12.87,;18,-13.65,;18,-15.2,;19.48,-15.6,;20.84,-15.95,;20.14,-17.05,;20.79,-14.64,;10.24,-13.97,;8.92,-13.21,;3.59,-11.69,;2.25,-10.92,;.91,-11.7,;-.42,-10.93,;-.42,-9.38,;.91,-8.6,;2.25,-9.38,)|
BDBM50170191 CN(C)c1nc(N[C@@H]2CC[C@@H](CC2)NC(=O)c2ccc(F)c(F)c2)nc2ccccc12 |wU:10.13,7.6,(-.96,2.96,;-2.29,2.19,;-3.63,2.96,;-2.28,.65,;-.95,-.12,;-.93,-1.66,;.4,-2.41,;1.73,-1.66,;3.06,-2.43,;4.39,-1.66,;4.39,-.12,;3.06,.65,;1.73,-.12,;5.74,.65,;7.07,-.12,;7.07,-1.66,;8.4,.65,;9.74,-.12,;11.07,.65,;11.07,2.19,;12.4,2.96,;9.71,2.96,;9.71,4.5,;8.4,2.19,;-2.26,-2.43,;-3.61,-1.66,;-4.94,-2.45,;-6.27,-1.68,;-6.27,-.14,;-4.94,.65,;-3.61,-.12,)|
BDBM50170192 CN(C)c1nc(NC2CCC(CNCc3ccc(Br)cc3OC(F)(F)F)CC2)nc2ccccc12 |(9.05,-31.64,;7.7,-32.41,;6.37,-31.64,;7.7,-33.96,;9.05,-34.73,;9.05,-36.27,;10.39,-37.07,;11.49,-35.97,;11.48,-37.5,;12.8,-38.28,;14.15,-37.51,;15.48,-38.28,;16.81,-37.51,;18.14,-38.28,;19.48,-37.49,;19.46,-35.97,;20.79,-35.17,;22.13,-35.95,;23.46,-35.17,;22.14,-37.49,;20.82,-38.26,;20.82,-39.8,;22.15,-40.58,;23.67,-39.99,;23.38,-41.28,;22.42,-42.17,;14.15,-35.97,;12.81,-35.2,;7.7,-37.04,;6.37,-36.27,;5.03,-37.04,;3.7,-36.27,;3.7,-34.75,;5.03,-33.96,;6.37,-34.73,)|
BDBM50170194 CN(C)c1nc(NCC2CCC(CNC(=O)c3ccc(Br)cc3OC(F)(F)F)CC2)nc2ccccc12 |(-4.27,-8.45,;-5.61,-9.22,;-6.96,-8.45,;-5.61,-10.76,;-4.27,-11.54,;-4.27,-13.08,;-2.92,-13.87,;-1.59,-13.09,;-.26,-13.87,;-.27,-15.39,;1.06,-16.16,;2.39,-15.42,;3.73,-16.19,;5.06,-15.41,;6.39,-16.18,;6.39,-17.72,;7.72,-15.39,;7.72,-13.87,;9.03,-13.08,;10.39,-13.84,;11.72,-13.05,;10.39,-15.39,;9.07,-16.16,;9.07,-17.71,;10.41,-18.48,;11.63,-19.17,;10.67,-20.06,;11.92,-17.89,;2.39,-13.87,;1.06,-13.09,;-5.61,-13.85,;-6.94,-13.08,;-8.28,-13.85,;-9.63,-13.08,;-9.63,-11.55,;-8.28,-10.76,;-6.94,-11.54,)|
BDBM50170196 CN(CC1CCC(CNc2nc(N(C)C)c3ccccc3n2)CC1)Cc1ccc(Br)cc1OC(F)(F)F |(4.32,-25.77,;4.33,-27.31,;3,-28.08,;1.66,-27.31,;1.66,-25.77,;.33,-25,;-1,-25.77,;-2.33,-25,;-3.66,-25.77,;-4.99,-24.99,;-4.99,-23.45,;-6.34,-22.67,;-6.34,-21.14,;-7.67,-20.37,;-4.99,-20.37,;-7.67,-23.45,;-9,-22.67,;-10.33,-23.45,;-10.33,-24.99,;-9,-25.76,;-7.67,-24.99,;-6.34,-25.76,;-1,-27.31,;.33,-28.08,;5.66,-28.08,;6.99,-27.31,;6.96,-25.77,;8.29,-24.98,;9.64,-25.75,;10.97,-24.97,;9.65,-27.29,;8.32,-28.06,;8.32,-29.6,;9.66,-30.37,;10.88,-31.07,;9.93,-31.96,;11.16,-29.79,)|
BDBM50197023 COc1cc(ccc1N)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O |wU:76.78,77.81,45.47,94.96,23.23,61.63,114.116,wD:69.71,33.34,12.12,83.85,53.55,103.105,(-10.19,-15.44,;-8.86,-16.2,;-7.52,-15.43,;-6.19,-16.19,;-4.87,-15.42,;-4.86,-13.88,;-6.2,-13.11,;-7.53,-13.88,;-8.87,-13.11,;-3.53,-16.18,;-3.53,-17.72,;-2.21,-15.4,;-.87,-16.16,;-.87,-17.7,;.46,-18.47,;.46,-20.01,;1.79,-20.78,;1.8,-22.32,;.45,-23.09,;3.11,-23.09,;.46,-15.39,;.46,-13.85,;1.79,-16.16,;3.13,-15.4,;3.13,-13.86,;4.46,-13.09,;5.87,-13.72,;6.9,-12.57,;6.13,-11.24,;4.62,-11.56,;4.46,-16.17,;4.46,-17.71,;5.79,-15.39,;7.12,-16.16,;7.12,-17.7,;8.45,-18.47,;9.79,-17.7,;11.12,-18.47,;11.12,-20.01,;12.43,-20.77,;9.79,-20.78,;8.45,-20.01,;8.45,-15.39,;8.45,-13.85,;9.78,-16.16,;11.12,-15.4,;11.12,-13.86,;12.45,-13.09,;12.45,-11.55,;13.79,-13.86,;12.45,-16.17,;12.45,-17.71,;13.78,-15.39,;15.11,-16.16,;15.11,-17.7,;16.44,-18.47,;17.77,-17.69,;16.44,-20.01,;16.44,-15.39,;16.44,-13.85,;17.78,-16.16,;19.12,-15.39,;19.12,-13.85,;20.44,-13.08,;20.44,-11.54,;21.78,-13.85,;20.44,-16.16,;20.44,-17.7,;21.78,-15.39,;23.11,-16.16,;23.11,-17.7,;24.44,-18.47,;21.77,-18.47,;24.44,-15.39,;24.44,-13.85,;25.77,-16.16,;27.11,-15.39,;27.11,-13.85,;25.77,-13.08,;28.43,-13.07,;28.44,-16.16,;28.44,-17.7,;29.77,-15.38,;31.1,-16.16,;31.1,-17.7,;32.43,-18.47,;32.43,-20.01,;33.76,-20.77,;33.76,-22.31,;32.43,-23.07,;35.1,-23.07,;32.43,-15.39,;32.43,-13.85,;33.76,-16.15,;35.1,-15.39,;35.1,-13.85,;36.43,-13.08,;36.43,-11.54,;35.1,-10.76,;37.77,-10.77,;36.43,-16.16,;36.43,-17.7,;37.76,-15.39,;39.09,-16.16,;39.09,-17.7,;40.42,-18.47,;40.42,-20.01,;41.76,-20.77,;41.76,-22.31,;40.42,-23.08,;43.09,-23.08,;40.42,-15.39,;40.42,-13.85,;41.76,-16.16,;43.09,-15.39,;43.09,-13.85,;44.42,-13.08,;45.76,-13.85,;47.09,-13.08,;47.09,-11.54,;48.42,-10.77,;45.76,-10.77,;44.42,-11.54,;44.42,-16.16,;45.76,-15.39,;44.42,-17.7,)|
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BDBM50197009 CC(C)C[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCN=C(N)N)NC(=O)c1ccc(N)cc1Cl)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O |wU:75.77,76.80,4.4,93.95,20.28,60.62,113.115,wD:68.70,8.17,30.39,82.84,52.54,102.104,(10.74,-29.55,;10.74,-31.09,;12.08,-31.86,;9.41,-31.86,;9.41,-33.4,;8.07,-34.16,;6.74,-33.39,;6.74,-31.85,;5.41,-34.16,;5.41,-35.7,;6.74,-36.47,;8.07,-35.7,;9.41,-36.47,;9.41,-38.01,;10.72,-38.77,;8.07,-38.78,;6.74,-38.01,;4.07,-33.39,;2.75,-34.18,;2.75,-35.72,;1.42,-33.41,;1.42,-31.87,;2.75,-31.1,;4.15,-31.73,;5.19,-30.58,;4.42,-29.25,;2.91,-29.57,;.08,-34.17,;-1.26,-33.4,;-1.26,-31.86,;-2.58,-34.17,;-2.58,-35.71,;-1.26,-36.48,;-1.26,-38.02,;.08,-38.79,;.09,-40.33,;-1.26,-41.09,;1.4,-41.09,;-3.92,-33.4,;-5.24,-34.19,;-5.24,-35.73,;-6.58,-33.42,;-6.58,-31.88,;-7.91,-31.11,;-9.24,-31.88,;-10.58,-31.12,;-9.24,-33.43,;-7.9,-34.19,;-7.9,-35.73,;10.74,-34.17,;10.74,-35.71,;12.07,-33.39,;13.4,-34.16,;13.4,-35.7,;14.73,-36.47,;16.06,-35.7,;14.73,-38.01,;14.73,-33.39,;14.73,-31.85,;16.07,-34.16,;17.4,-33.4,;17.4,-31.86,;18.73,-31.09,;18.73,-29.55,;20.07,-31.86,;18.73,-34.17,;18.73,-35.71,;20.06,-33.39,;21.39,-34.16,;21.39,-35.7,;22.72,-36.47,;20.06,-36.47,;22.72,-33.39,;22.72,-31.85,;24.06,-34.16,;25.39,-33.39,;25.39,-31.85,;24.06,-31.08,;26.72,-31.08,;26.72,-34.16,;26.72,-35.7,;28.05,-33.39,;29.38,-34.16,;29.38,-35.7,;30.71,-36.47,;30.71,-38.01,;32.05,-38.77,;32.05,-40.31,;30.71,-41.08,;33.39,-41.08,;30.71,-33.39,;30.71,-31.85,;32.05,-34.16,;33.39,-33.39,;33.39,-31.85,;34.72,-31.08,;34.72,-29.54,;33.38,-28.77,;36.05,-28.77,;34.72,-34.16,;34.72,-35.7,;36.05,-33.39,;37.38,-34.16,;37.38,-35.7,;38.71,-36.47,;38.71,-38.01,;40.04,-38.78,;40.04,-40.32,;38.71,-41.08,;41.38,-41.08,;38.71,-33.39,;38.71,-31.85,;40.04,-34.16,;41.38,-33.39,;41.38,-31.85,;42.71,-31.08,;44.04,-31.85,;45.38,-31.08,;45.38,-29.54,;46.71,-28.77,;44.04,-28.77,;42.71,-29.54,;42.71,-34.16,;44.04,-33.39,;42.71,-35.7,)|
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BDBM50205095 CC(C)C[C@H](NC(=O)[C@H](CS)NC(C)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O |wU:84.87,51.52,101.102,29.28,67.68,121.122,4.4,83.84,wD:8.10,39.39,18.17,90.91,59.60,110.111,75.76,(-8.63,-37.13,;-8.63,-38.67,;-7.29,-39.44,;-9.96,-39.44,;-9.96,-40.98,;-11.29,-41.76,;-12.63,-40.99,;-12.63,-39.45,;-13.96,-41.76,;-13.96,-43.3,;-15.3,-44.07,;-15.29,-40.99,;-16.63,-41.76,;-17.96,-40.99,;-16.63,-43.3,;-8.63,-41.75,;-8.63,-43.29,;-7.3,-40.98,;-5.97,-41.77,;-5.97,-43.31,;-4.63,-44.08,;-4.63,-45.62,;-3.28,-46.37,;-3.3,-47.91,;-4.64,-48.68,;-1.96,-48.68,;-4.63,-41,;-4.63,-39.46,;-3.28,-41.75,;-1.95,-40.98,;-1.95,-39.44,;-.61,-38.67,;.8,-39.31,;1.83,-38.16,;1.06,-36.83,;-.45,-37.14,;-.61,-41.75,;-.61,-43.29,;.72,-40.97,;2.06,-41.74,;2.06,-43.28,;3.38,-44.05,;4.71,-43.28,;6.04,-44.05,;6.04,-45.59,;7.37,-46.35,;4.71,-46.36,;3.38,-45.59,;3.38,-40.97,;3.38,-39.43,;4.72,-41.74,;6.05,-40.96,;6.05,-39.42,;7.39,-38.65,;7.39,-37.11,;8.74,-39.42,;7.39,-41.73,;7.39,-43.27,;8.73,-40.97,;10.05,-41.76,;10.05,-43.3,;11.39,-44.07,;12.73,-43.28,;11.39,-45.61,;11.39,-40.99,;11.39,-39.45,;12.73,-41.75,;14.07,-40.98,;14.07,-39.44,;15.41,-38.67,;15.41,-37.13,;16.74,-39.44,;15.41,-41.75,;15.41,-43.29,;16.75,-40.98,;18.08,-41.75,;18.07,-43.29,;19.41,-44.07,;19.41,-45.61,;20.75,-43.31,;19.42,-40.98,;19.42,-39.44,;20.75,-41.76,;22.09,-40.98,;22.09,-39.44,;20.76,-38.67,;23.39,-38.65,;23.43,-41.75,;23.43,-43.29,;24.75,-40.96,;26.08,-41.73,;26.08,-43.27,;27.42,-44.04,;27.42,-45.58,;28.75,-46.35,;28.8,-47.89,;27.42,-48.64,;30.1,-48.65,;27.42,-40.96,;27.42,-39.42,;28.75,-41.73,;30.1,-40.99,;30.1,-39.45,;31.44,-38.68,;31.44,-37.14,;30.09,-36.36,;32.77,-36.37,;31.44,-41.76,;31.44,-43.3,;32.77,-40.98,;34.1,-41.76,;34.1,-43.3,;35.44,-44.07,;35.44,-45.61,;36.77,-46.37,;36.79,-47.91,;35.44,-48.67,;38.11,-48.67,;35.44,-40.99,;35.44,-39.45,;36.77,-41.76,;38.11,-40.99,;38.11,-39.45,;39.44,-38.68,;40.78,-39.45,;42.11,-38.68,;42.11,-37.14,;43.45,-36.37,;40.78,-36.37,;39.44,-37.14,;39.44,-41.76,;40.78,-40.99,;39.44,-43.3,)|
BDBM50205093 CC(C)C[C@H](NC(C)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O |wU:4.4,77.78,78.81,45.46,95.96,23.22,61.62,115.116,wD:33.33,12.11,84.85,53.54,104.105,69.70,(-3.89,-2.95,;-3.89,-4.49,;-2.56,-5.26,;-5.23,-5.26,;-5.23,-6.8,;-6.56,-7.57,;-7.9,-6.8,;-9.23,-7.57,;-7.9,-5.26,;-3.89,-7.57,;-3.89,-9.11,;-2.56,-6.79,;-1.23,-7.57,;-1.23,-9.11,;.11,-9.88,;.11,-11.42,;1.45,-12.18,;1.44,-13.72,;.1,-14.48,;2.77,-14.48,;.11,-6.8,;.11,-5.26,;1.45,-7.56,;2.78,-6.79,;2.78,-5.25,;4.13,-4.48,;5.53,-5.11,;6.56,-3.96,;5.79,-2.63,;4.28,-2.95,;4.13,-7.56,;4.13,-9.1,;5.45,-6.78,;6.79,-7.54,;6.79,-9.08,;8.12,-9.85,;9.45,-9.08,;10.78,-9.85,;10.78,-11.39,;12.11,-12.16,;9.45,-12.16,;8.12,-11.39,;8.12,-6.77,;8.12,-5.23,;9.45,-7.54,;10.79,-6.77,;10.79,-5.23,;12.13,-4.46,;12.13,-2.92,;13.47,-5.23,;12.13,-7.54,;12.13,-9.08,;13.46,-6.77,;14.79,-7.55,;14.79,-9.09,;16.13,-9.86,;17.46,-9.09,;16.13,-11.4,;16.13,-6.78,;16.13,-5.24,;17.47,-7.55,;18.8,-6.78,;18.8,-5.24,;20.14,-4.47,;20.14,-2.93,;21.47,-5.24,;20.14,-7.55,;20.14,-9.09,;21.47,-6.78,;22.81,-7.55,;22.8,-9.09,;24.14,-9.86,;24.13,-11.4,;25.48,-9.1,;24.15,-6.78,;24.15,-5.24,;25.48,-7.55,;26.82,-6.8,;26.82,-5.26,;25.49,-4.49,;28.14,-4.48,;28.16,-7.57,;28.16,-9.11,;29.49,-6.78,;30.82,-7.56,;30.82,-9.1,;32.16,-9.87,;32.16,-11.41,;33.49,-12.18,;33.52,-13.72,;32.16,-14.47,;34.83,-14.48,;32.16,-6.79,;32.16,-5.25,;33.49,-7.56,;34.84,-6.8,;34.84,-5.26,;36.18,-4.49,;36.18,-2.95,;34.83,-2.18,;37.5,-2.18,;36.18,-7.57,;36.18,-9.11,;37.51,-6.8,;38.84,-7.57,;38.84,-9.11,;40.18,-9.88,;40.18,-11.42,;41.51,-12.19,;41.52,-13.73,;40.18,-14.49,;42.85,-14.49,;40.18,-6.8,;40.18,-5.26,;41.51,-7.57,;42.84,-6.8,;42.84,-5.26,;44.19,-4.49,;45.51,-5.26,;46.85,-4.49,;46.85,-2.95,;48.19,-2.18,;45.51,-2.18,;44.19,-2.95,;44.19,-7.57,;45.51,-6.8,;44.19,-9.11,)|
BDBM50210327 CSc1ncccc1C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O |wU:32.33,68.70,83.85,103.105,11.11,52.54,wD:76.78,77.81,22.22,44.46,94.96,114.116,60.62,(-8.84,-20.26,;-10.17,-21.03,;-10.18,-22.57,;-11.51,-23.34,;-11.51,-24.88,;-10.17,-25.65,;-8.84,-24.88,;-8.84,-23.35,;-7.51,-22.58,;-7.51,-21.04,;-6.18,-23.35,;-4.84,-22.58,;-4.84,-21.04,;-3.51,-20.27,;-3.51,-18.73,;-2.18,-17.96,;-2.18,-16.42,;-.84,-15.65,;-3.51,-15.65,;-3.51,-23.35,;-3.51,-24.89,;-2.18,-22.58,;-.84,-23.35,;-.84,-24.89,;.49,-25.66,;1.97,-25.19,;2.86,-26.45,;1.94,-27.69,;.48,-27.2,;.49,-22.58,;.49,-21.04,;1.83,-23.35,;3.16,-22.58,;3.16,-21.04,;4.49,-20.27,;5.82,-21.04,;7.16,-20.28,;7.16,-18.73,;8.49,-17.96,;5.82,-17.96,;4.49,-18.74,;4.49,-23.35,;4.49,-24.89,;5.83,-22.58,;7.16,-23.35,;7.16,-24.89,;8.49,-25.66,;8.49,-27.2,;9.83,-24.89,;8.49,-22.58,;8.49,-21.04,;9.83,-23.35,;11.15,-22.56,;11.13,-21.02,;12.45,-20.23,;13.79,-20.98,;12.43,-18.69,;12.49,-23.31,;12.51,-24.85,;13.82,-22.52,;15.16,-23.28,;15.18,-24.82,;16.53,-25.57,;16.55,-27.11,;17.85,-24.78,;16.48,-22.49,;16.46,-20.95,;17.83,-23.24,;19.15,-22.45,;19.13,-20.91,;20.45,-20.12,;20.43,-18.58,;21.8,-20.87,;20.49,-23.2,;20.52,-24.74,;21.82,-22.41,;23.16,-23.17,;23.18,-24.71,;21.86,-25.49,;24.53,-25.46,;24.48,-22.38,;24.46,-20.84,;25.83,-23.13,;27.15,-22.34,;27.13,-20.8,;28.45,-20.01,;28.43,-18.47,;29.75,-17.68,;29.73,-16.14,;31.06,-15.36,;28.39,-15.39,;28.5,-23.09,;28.52,-24.63,;29.82,-22.3,;31.16,-23.06,;31.18,-24.6,;32.53,-25.35,;32.55,-26.89,;31.23,-27.67,;33.89,-27.64,;32.49,-22.27,;32.46,-20.73,;33.83,-23.02,;35.15,-22.23,;35.13,-20.69,;36.45,-19.9,;36.43,-18.36,;37.76,-17.57,;37.73,-16.03,;39.06,-15.25,;36.39,-15.28,;36.5,-22.98,;36.52,-24.52,;37.82,-22.19,;39.16,-22.94,;39.19,-24.48,;40.53,-25.24,;40.54,-26.77,;41.89,-27.52,;43.21,-26.74,;44.56,-27.49,;43.19,-25.19,;41.84,-24.44,;40.49,-22.16,;41.83,-22.91,;40.47,-20.62,)|
BDBM50249754 CC[C@@H]1NC(=NC1(c1ccc(F)cc1)c1ccc(F)cc1)c1cc(ccn1)C#N |r,c:4|
BDBM50249755 CCC[C@@H]1NC(=NC1(c1ccc(F)cc1)c1ccc(F)cc1)c1cc(ccn1)C#N |r,c:5|
BDBM50249756 OC[C@@H]1NC(=NC1(c1ccc(F)cc1)c1ccc(F)cc1)c1cc(ccn1)C#N |r,c:4|
BDBM50249757 C[C@@H]1NC(=NC1(c1ccc(F)cc1)c1ccc(F)cc1)c1cnccn1 |r,c:3|
BDBM50249758 C[C@@H]1NC(=N[C@@]1(c1ccc(F)cc1)c1ccc(F)nc1)c1cc(ccn1)C#N |r,c:3|
BDBM50249775 C[C@@H]1NC(=N[C@]1(c1ccc(F)cc1)c1ccc(F)nc1)c1cc(ccn1)C#N |r,c:3|
BDBM50249776 C[C@@H]1NC(=NC1(c1ccc(F)nc1)c1ccc(F)nc1)c1cc(ccn1)C#N |r,c:3|
BDBM50249777 COc1ccc(cn1)[C@@]1(N=C(N[C@H]1C)c1cc(ccn1)C#N)c1ccc(F)cc1 |r,c:10|
BDBM50249778 C[C@@H]1NC(=N[C@@]1(c1ccc(F)cc1)c1ccc(=O)[nH]c1)c1cc(ccn1)C#N |r,c:3|
BDBM50249779 C[C@@H]1NC(=N[C@@]1(c1ccc(F)cc1)c1ccc(F)nc1)c1cccc(c1)C#N |r,c:3|
BDBM50249737 Fc1ccc(cc1)C1(CNC(=N1)c1cc(ccn1)C#N)c1ccc(F)cc1 |c:11|
BDBM50249738 Fc1ccc(cc1)C1(CNC(=N1)c1cnccn1)c1ccc(F)cc1 |c:11|
BDBM50249739 C[C@@H]1NC(=NC1(c1ccc(F)cc1)c1ccc(F)cc1)c1cc(ccn1)C#N |r,c:3|
BDBM50249740 C[C@H]1NC(=NC1(c1ccc(F)cc1)c1ccc(F)cc1)c1cc(ccn1)C#N |r,c:3|
BDBM50249803 C[C@@H]1NC(=N[C@@]1(c1ccc(F)cc1)c1ccc(F)nc1)c1cccc(c1)S(C)(=O)=O |r,c:3|
BDBM50249804 C[C@@H]1NC(=N[C@@]1(c1ccc(F)cc1)c1ccc(F)nc1)c1cncc(c1)C#N |r,c:3|
BDBM50249805 C[C@@H]1NC(=N[C@@]1(c1ccc(F)cc1)c1ccc(F)nc1)c1cccc(n1)C#N |r,c:3|
BDBM50249806 C[C@@H]1NC(=N[C@@]1(c1ccc(F)cc1)c1ccc(F)nc1)c1ccnc(c1)C#N |r,c:3|
BDBM50249807 C[C@@H]1NC(=N[C@@]1(c1ccc(F)cc1)c1ccc(F)nc1)c1nccc(n1)C#N |r,c:3|
BDBM50249829 COc1ccnc(c1)C1=N[C@@]([C@H](C)N1)(c1ccc(F)cc1)c1ccc(F)nc1 |r,t:9|
BDBM50249830 C[C@@H]1NC(=N[C@@]1(c1ccc(F)cc1)c1ccc(F)nc1)c1cc(Cl)ccn1 |r,c:3|
BDBM50249831 C[C@@H]1NC(=N[C@@]1(c1ccc(F)cc1)c1ccc(F)nc1)c1cc(ccn1)C(N)=O |r,c:3|
BDBM50249832 C[C@@H]1NC(=N[C@@]1(c1ccc(F)cc1)c1ccc(F)nc1)c1cnccn1 |r,c:3|
BDBM50249833 C[C@@H]1NC(=N[C@@]1(c1ccc(F)cc1)c1ccc(F)nc1)c1cccc(=O)[nH]1 |r,c:3|
BDBM50249865 C[C@@H]1NC(=N[C@@]1(c1ccc(F)cc1)c1ccc(F)nc1)c1cnsn1 |r,c:3|
BDBM50249866 C[C@@H]1NC(=N[C@@]1(c1ccc(F)cc1)c1ccc(F)nc1)c1nccs1 |r,c:3|
BDBM50249867 Fc1ccc(cc1)C1(CNC(=N1)c1cccc(c1)C#N)c1ccc(F)cc1 |c:11|
BDBM50249869 O=C(Nc1cnc(cn1)-c1ccccc1)N1CCC2(CC1)OC(=O)c1ccccc21
BDBM50264492 Cc1nc(no1)-c1ccc2[nH]c(nc2c1)[C@H]1CC[C@@]2(CC1)OC(=O)c1ccccc21 |r,wU:18.24,wD:15.17,(20.48,-8.99,;19.93,-10.43,;18.44,-10.83,;18.37,-12.37,;19.8,-12.91,;20.77,-11.72,;17.08,-13.21,;17.16,-14.75,;15.88,-15.58,;14.52,-14.88,;13.08,-15.44,;12.11,-14.24,;12.96,-12.95,;14.44,-13.35,;15.72,-12.52,;10.58,-14.32,;9.74,-13.01,;8.2,-13.1,;7.49,-14.47,;8.33,-15.77,;9.88,-15.69,;6.79,-15.85,;5.26,-15.61,;4.18,-16.7,;5.02,-14.08,;3.73,-13.24,;3.81,-11.7,;5.2,-10.99,;6.49,-11.84,;6.41,-13.38,)|
BDBM50264493 FC(F)(F)c1nc(no1)-c1ccc2[nH]c(nc2c1)[C@H]1CC[C@@]2(CC1)OC(=O)c1ccccc21 |r,wU:21.27,wD:18.20,(7.51,-37.15,;6.75,-38.49,;5.36,-37.84,;8.14,-39.15,;6.2,-39.93,;4.72,-40.33,;4.64,-41.87,;6.08,-42.41,;7.04,-41.21,;3.36,-42.71,;3.44,-44.25,;2.15,-45.08,;.79,-44.38,;-.64,-44.94,;-1.61,-43.73,;-.77,-42.45,;.71,-42.85,;1.99,-42.02,;-3.15,-43.81,;-3.99,-42.51,;-5.53,-42.6,;-6.23,-43.97,;-5.39,-45.27,;-3.85,-45.19,;-6.94,-45.35,;-8.46,-45.1,;-9.55,-46.19,;-8.7,-43.58,;-9.99,-42.74,;-9.92,-41.2,;-8.53,-40.49,;-7.24,-41.34,;-7.32,-42.88,)|
BDBM50264494 Cn1nnc(n1)-c1ccc2[nH]c(nc2c1)[C@H]1CC[C@@]2(CC1)OC(=O)c1ccccc21 |r,wU:18.24,wD:15.17,(29.77,-38.49,;29.22,-39.92,;30.06,-41.21,;29.1,-42.41,;27.66,-41.87,;27.74,-40.33,;26.37,-42.71,;26.46,-44.24,;25.17,-45.08,;23.81,-44.38,;22.38,-44.93,;21.41,-43.73,;22.25,-42.45,;23.73,-42.85,;25.01,-42.02,;19.87,-43.81,;19.03,-42.51,;17.49,-42.6,;16.79,-43.97,;17.63,-45.26,;19.17,-45.19,;16.08,-45.34,;14.56,-45.1,;13.47,-46.19,;14.32,-43.57,;13.03,-42.73,;13.1,-41.19,;14.49,-40.49,;15.78,-41.34,;15.7,-42.88,)|
BDBM50264495 COC(=O)c1cc2[nH]c(nc2cc1Cl)[C@H]1CC[C@]2(CC1)OC(=O)c1ccccc21 |r,wU:14.15,17.22,(8.36,-3.53,;6.99,-2.83,;5.7,-3.67,;5.78,-5.2,;4.33,-2.97,;3.04,-3.8,;1.68,-3.11,;.24,-3.66,;-.72,-2.46,;.12,-1.18,;1.6,-1.57,;2.88,-.74,;4.24,-1.43,;5.53,-.59,;-2.26,-2.54,;-2.96,-3.91,;-4.5,-3.99,;-5.34,-2.69,;-4.64,-1.32,;-3.1,-1.24,;-6.05,-4.07,;-7.57,-3.83,;-8.66,-4.92,;-7.82,-2.3,;-9.11,-1.46,;-9.03,.08,;-7.64,.78,;-6.35,-.06,;-6.43,-1.61,)|
BDBM50264528 Cc1nnc(o1)-c1ccc2[nH]c(nc2c1)[C@H]1CC[C@]2(CC1)OC(=O)c1ccccc21 |r,wU:15.17,18.24,(32.84,2.64,;32.3,1.2,;33.14,-.08,;32.17,-1.28,;30.74,-.73,;30.81,.8,;29.45,-1.57,;29.54,-3.11,;28.25,-3.94,;26.89,-3.24,;25.45,-3.8,;24.48,-2.59,;25.33,-1.31,;26.81,-1.71,;28.09,-.88,;22.95,-2.67,;22.25,-4.05,;20.7,-4.13,;19.86,-2.83,;20.57,-1.46,;22.11,-1.37,;19.16,-4.21,;17.63,-3.97,;16.55,-5.05,;17.39,-2.44,;16.1,-1.6,;16.18,-.06,;17.57,.65,;18.86,-.2,;18.78,-1.74,)|
BDBM50265124 O=C1OC2(CCN(CC2)c2nc3ccccc3[nH]2)c2ccccc12
BDBM50265125 O=C1OC2(CCN(CC2)c2nc3ccccc3s2)c2ccccc12
BDBM50265126 O=C1OC2(CCN(CC2)c2nc3ncccc3[nH]2)c2ccccc12
BDBM50265127 O=C1OC2(CCN(Cc3nc4ccccc4[nH]3)CC2)c2ccccc12
BDBM50265128 O=C1O[C@]2(CC[C@@H](CC2)c2nc3ncccc3[nH]2)c2ccccc12 |r,wU:3.2,wD:6.9,(21.1,-11.97,;22.13,-10.83,;23.67,-11,;24.3,-9.59,;24.68,-8.1,;26.17,-7.7,;27.26,-8.79,;26.86,-10.28,;25.38,-10.68,;28.75,-8.39,;29.94,-9.37,;31.22,-8.53,;32.7,-8.93,;33.8,-7.85,;33.41,-6.37,;31.91,-5.96,;30.84,-7.05,;29.29,-6.96,;23.15,-8.55,;23.15,-7.01,;21.81,-6.24,;20.48,-7.01,;20.48,-8.56,;21.81,-9.32,)|
BDBM50265088 CS(=O)(=O)N1CC2(CCN(CC2)c2nc3ccccc3[nH]2)c2ccccc12
BDBM50264364 Fc1ccc(cc1)-c1ccc2nc([nH]c2c1)[C@H]1CC[C@@]2(CC1)OC(=O)c1ccccc21 |r,wU:19.25,wD:16.18,(9.47,-34.56,;8.18,-35.41,;8.26,-36.94,;6.98,-37.78,;5.61,-37.08,;5.52,-35.55,;6.8,-34.71,;4.32,-37.92,;4.41,-39.46,;3.12,-40.29,;1.76,-39.59,;.32,-40.15,;-.65,-38.94,;.19,-37.66,;1.68,-38.06,;2.96,-37.23,;-2.18,-39.02,;-3.02,-37.72,;-4.57,-37.81,;-5.27,-39.18,;-4.43,-40.48,;-2.89,-40.4,;-5.97,-40.56,;-7.5,-40.32,;-8.59,-41.4,;-7.74,-38.79,;-9.03,-37.95,;-8.95,-36.41,;-7.57,-35.7,;-6.27,-36.55,;-6.36,-38.09,)|
BDBM50264365 O=C(c1ccccc1)c1ccc2nc([nH]c2c1)[C@H]1CC[C@@]2(CC1)OC(=O)c1ccccc21 |r,wU:20.26,wD:17.19,(29.22,-34.77,;29.3,-36.31,;30.67,-37,;30.75,-38.53,;32.12,-39.23,;33.41,-38.39,;33.32,-36.85,;31.95,-36.16,;28.01,-37.15,;28.09,-38.69,;26.81,-39.52,;25.44,-38.82,;24.01,-39.37,;23.04,-38.17,;23.88,-36.89,;25.37,-37.29,;26.65,-36.46,;21.51,-38.25,;20.66,-36.95,;19.12,-37.04,;18.42,-38.41,;19.26,-39.71,;20.8,-39.63,;17.72,-39.79,;16.19,-39.54,;15.1,-40.63,;15.95,-38.02,;14.66,-37.17,;14.74,-35.63,;16.12,-34.93,;17.42,-35.78,;17.33,-37.32,)|
BDBM50264366 O=C1O[C@]2(CC[C@@H](CC2)c2nc3cc(ccc3[nH]2)-c2ccccn2)c2ccccc12 |r,wU:3.2,wD:6.9,(-9.28,-3.73,;-8.19,-2.64,;-6.66,-2.88,;-5.96,-1.51,;-5.26,-.14,;-3.72,-.05,;-2.87,-1.35,;-3.58,-2.73,;-5.12,-2.8,;-1.34,-1.27,;-.5,.01,;.99,-.39,;2.27,.44,;3.63,-.25,;3.71,-1.78,;2.42,-2.62,;1.06,-1.92,;-.37,-2.47,;4.92,.59,;4.82,2.12,;6.11,2.96,;7.49,2.27,;7.57,.73,;6.28,-.11,;-7.05,-.42,;-6.96,1.12,;-8.26,1.97,;-9.64,1.27,;-9.72,-.27,;-8.43,-1.11,)|
BDBM50264367 O=C1O[C@]2(CC[C@@H](CC2)c2nc3cc(ccc3[nH]2)-c2cccnc2)c2ccccc12 |r,wU:3.2,wD:6.9,(15.61,-4.12,;16.7,-3.04,;18.22,-3.28,;18.93,-1.9,;19.63,-.53,;21.17,-.44,;22.01,-1.74,;21.31,-3.12,;19.77,-3.2,;23.55,-1.66,;24.39,-.38,;25.87,-.78,;27.15,.05,;28.51,-.64,;28.6,-2.18,;27.31,-3.01,;25.95,-2.31,;24.52,-2.87,;29.8,.2,;29.71,1.73,;30.99,2.57,;32.37,1.87,;32.45,.34,;31.17,-.5,;17.84,-.81,;17.92,.73,;16.63,1.58,;15.24,.87,;15.16,-.67,;16.45,-1.51,)|
BDBM50264393 Clc1cc2nc([nH]c2cc1Cl)[C@H]1CC[C@@]2(CC1)OC(=O)c1ccccc21 |r,wU:14.19,wD:11.12,(4.78,-12.44,;3.5,-13.28,;2.13,-12.59,;.86,-13.42,;-.63,-13.02,;-1.46,-14.3,;-.5,-15.5,;.93,-14.95,;2.29,-15.65,;3.58,-14.82,;4.95,-15.51,;-3,-14.38,;-3.84,-13.08,;-5.38,-13.17,;-6.08,-14.54,;-5.24,-15.83,;-3.7,-15.76,;-6.78,-15.91,;-8.31,-15.67,;-9.39,-16.76,;-8.55,-14.15,;-9.84,-13.31,;-9.76,-11.77,;-8.37,-11.07,;-7.08,-11.91,;-7.17,-13.45,)|
BDBM50264394 FC(F)(F)c1cc2nc([nH]c2cc1Cl)[C@H]1CC[C@@]2(CC1)OC(=O)c1ccccc21 |r,wU:17.22,wD:14.15,(29.18,-16.29,;27.86,-15.53,;28.6,-14.18,;27.14,-16.89,;26.49,-14.83,;25.21,-15.66,;23.85,-14.97,;22.41,-15.52,;21.44,-14.32,;22.29,-13.04,;23.77,-13.44,;25.05,-12.6,;26.41,-13.29,;27.7,-12.45,;19.91,-14.4,;19.07,-13.1,;17.53,-13.18,;16.82,-14.55,;17.67,-15.85,;19.21,-15.77,;16.12,-15.93,;14.6,-15.69,;13.51,-16.78,;14.35,-14.16,;13.06,-13.32,;13.14,-11.78,;14.53,-11.08,;15.82,-11.92,;15.74,-13.47,)|
BDBM50264395 Clc1cc2[nH]c(nc2cc1-c1ccccc1)[C@H]1CC[C@@]2(CC1)OC(=O)c1ccccc21 |r,wU:19.25,wD:16.18,(4.88,-25.91,;3.6,-26.75,;2.23,-26.06,;.95,-26.89,;-.53,-26.49,;-1.37,-27.78,;-.4,-28.98,;1.03,-28.43,;2.39,-29.12,;3.68,-28.29,;5.05,-28.98,;5.12,-30.52,;6.49,-31.22,;7.79,-30.38,;7.7,-28.84,;6.33,-28.15,;-2.91,-27.86,;-3.75,-26.55,;-5.29,-26.64,;-6,-28.01,;-5.15,-29.31,;-3.61,-29.23,;-6.7,-29.39,;-8.23,-29.15,;-9.31,-30.24,;-8.47,-27.62,;-9.76,-26.78,;-9.68,-25.24,;-8.29,-24.53,;-7,-25.38,;-7.08,-26.92,)|
BDBM50264396 Cn1c(nc2cc(Cl)c(Cl)cc12)[C@H]1CC[C@@]2(CC1)OC(=O)c1ccccc21 |r,wU:15.20,wD:12.13,(23.12,-31.22,;23.52,-29.73,;22.55,-28.53,;23.39,-27.25,;24.88,-27.65,;26.16,-26.82,;27.52,-27.51,;28.8,-26.67,;27.6,-29.05,;28.97,-29.74,;26.31,-29.88,;24.95,-29.18,;21.02,-28.61,;20.18,-27.31,;18.64,-27.4,;17.94,-28.77,;18.78,-30.06,;20.32,-29.99,;17.23,-30.14,;15.71,-29.9,;14.62,-30.99,;15.47,-28.38,;14.18,-27.54,;14.26,-26,;15.64,-25.29,;16.93,-26.14,;16.85,-27.68,)|
BDBM50264397 COC(=O)c1ccc2nc([nH]c2c1)[C@H]1CC[C@@]2(CC1)OC(=O)c1ccccc21 |r,wU:16.21,wD:13.14,(9.19,-.42,;7.9,-1.26,;6.53,-.57,;6.45,.97,;5.24,-1.41,;5.32,-2.94,;4.04,-3.78,;2.68,-3.08,;1.24,-3.63,;.28,-2.43,;1.12,-1.15,;2.6,-1.55,;3.88,-.72,;-1.26,-2.51,;-2.1,-1.21,;-3.64,-1.3,;-4.34,-2.67,;-3.5,-3.96,;-1.96,-3.89,;-5.05,-4.04,;-6.57,-3.8,;-7.66,-4.89,;-6.81,-2.28,;-8.1,-1.44,;-8.02,.1,;-6.64,.81,;-5.35,-.04,;-5.43,-1.58,)|
BDBM50265165 O=C1O[C@@]2(CC[C@@H](CC2)c2nc3ncccc3[nH]2)c2ccccc12 |r,wU:3.2,6.9,(37.75,-11.34,;38.78,-10.2,;40.31,-10.37,;40.95,-8.96,;42.03,-10.04,;43.51,-9.65,;43.91,-8.16,;42.82,-7.07,;41.34,-7.47,;45.4,-7.76,;46.58,-8.74,;47.88,-7.9,;49.35,-8.3,;50.45,-7.22,;50.06,-5.74,;48.56,-5.33,;47.48,-6.42,;45.95,-6.33,;39.8,-7.92,;39.8,-6.38,;38.46,-5.61,;37.13,-6.38,;37.13,-7.93,;38.46,-8.69,)|
BDBM50265166 Fc1cccc2nc([nH]c12)N1CCC2(CC1)OC(=O)c1ccccc21
BDBM50265167 Fc1ccc2nc([nH]c2c1)N1CCC2(CC1)OC(=O)c1ccccc21
BDBM50265168 Cc1cccc2[nH]c(nc12)N1CCC2(CC1)OC(=O)c1ccccc21
BDBM50265169 Cc1ccc2nc([nH]c2c1)N1CCC2(CC1)OC(=O)c1ccccc21
BDBM50264724 CS(=O)(=O)c1ccc2nc([nH]c2c1)N1CCC2(CC1)OC(=O)c1ccccc21
BDBM50264725 Clc1cc(Cl)c2[nH]c(nc2c1)N1CCC2(CC1)OC(=O)c1ccccc21
BDBM50264726 Clc1cc2nc([nH]c2cc1Cl)N1CCC2(CC1)OC(=O)c1ccccc21
BDBM50264727 Cc1cc2nc([nH]c2cc1C)N1CCC2(CC1)OC(=O)c1ccccc21
BDBM50264766 Fc1cc2[nH]c(nc2cc1Cl)N1CCC2(CC1)OC(=O)c1ccccc21
BDBM50265206 COc1cccc2[nH]c(nc12)N1CCC2(CC1)OC(=O)c1ccccc21
BDBM50265207 COc1ccc2nc([nH]c2c1)N1CCC2(CC1)OC(=O)c1ccccc21
BDBM50265208 Clc1cccc2nc([nH]c12)N1CCC2(CC1)OC(=O)c1ccccc21
BDBM50265209 Clc1ccc2nc([nH]c2c1)N1CCC2(CC1)OC(=O)c1ccccc21
BDBM50265210 FC(F)(F)c1cccc2nc([nH]c12)N1CCC2(CC1)OC(=O)c1ccccc21
BDBM50264295 O=C1O[C@]2(CC[C@@H](CC2)c2nc3ccccc3[nH]2)c2ccccc12 |r,wU:3.2,wD:6.9,(-8.26,-2.86,;-7.17,-1.78,;-5.65,-2.02,;-4.94,-.64,;-4.24,.73,;-2.7,.81,;-1.86,-.49,;-2.56,-1.86,;-4.11,-1.94,;-.33,-.41,;.51,.87,;1.99,.47,;3.27,1.3,;4.63,.62,;4.71,-.92,;3.43,-1.75,;2.07,-1.05,;.64,-1.61,;-6.03,.44,;-5.95,1.98,;-7.24,2.83,;-8.62,2.13,;-8.7,.59,;-7.41,-.25,)|
BDBM50264324 O=C1O[C@]2(CC[C@@H](CC2)c2nc3ccc(cc3[nH]2)C#N)c2ccccc12 |r,wU:3.2,wD:6.9,(11.19,-2.35,;12.28,-1.27,;13.8,-1.51,;14.5,-.13,;15.21,1.24,;16.75,1.33,;17.59,.03,;16.89,-1.35,;15.35,-1.43,;19.13,.1,;20.09,-1.1,;21.53,-.54,;22.89,-1.24,;24.17,-.41,;24.09,1.13,;22.73,1.82,;21.45,.99,;19.97,1.39,;25.38,1.96,;26.66,2.8,;13.42,.96,;13.5,2.5,;12.21,3.35,;10.82,2.64,;10.74,1.1,;12.03,.26,)|
BDBM50264325 Clc1ccc2nc([nH]c2c1)[C@H]1CC[C@@]2(CC1)OC(=O)c1ccccc21 |r,wU:13.18,wD:10.11,(5.41,-11.46,;4.13,-12.3,;4.21,-13.84,;2.93,-14.67,;1.56,-13.97,;.13,-14.53,;-.83,-13.33,;.01,-12.04,;1.49,-12.44,;2.77,-11.61,;-2.37,-13.4,;-3.21,-12.1,;-4.75,-12.19,;-5.45,-13.56,;-4.61,-14.86,;-3.07,-14.78,;-6.15,-14.94,;-7.68,-14.7,;-8.76,-15.78,;-7.92,-13.17,;-9.21,-12.33,;-9.13,-10.79,;-7.74,-10.09,;-6.45,-10.93,;-6.54,-12.47,)|
BDBM50264326 FC(F)(F)c1ccc2nc([nH]c2c1)[C@H]1CC[C@@]2(CC1)OC(=O)c1ccccc21 |r,wU:16.21,wD:13.14,(27.85,-10.82,;26.53,-11.6,;25.72,-10.3,;27.35,-12.91,;25.24,-12.44,;25.33,-13.98,;24.04,-14.81,;22.68,-14.12,;21.25,-14.67,;20.28,-13.47,;21.12,-12.18,;22.6,-12.58,;23.88,-11.75,;18.74,-13.55,;17.9,-12.24,;16.36,-12.33,;15.66,-13.7,;16.5,-15,;18.04,-14.92,;14.96,-15.08,;13.43,-14.84,;12.34,-15.93,;13.19,-13.31,;11.9,-12.47,;11.98,-10.93,;13.36,-10.22,;14.66,-11.07,;14.57,-12.61,)|
BDBM50264327 Brc1ccc2nc([nH]c2c1)[C@H]1CC[C@@]2(CC1)OC(=O)c1ccccc21 |r,wU:13.18,wD:10.11,(6.71,-24.17,;5.42,-25,;5.51,-26.54,;4.22,-27.37,;2.86,-26.67,;1.43,-27.23,;.46,-26.03,;1.3,-24.75,;2.79,-25.14,;4.06,-24.31,;-1.07,-26.11,;-1.91,-24.81,;-3.45,-24.89,;-4.15,-26.26,;-3.31,-27.56,;-1.77,-27.48,;-4.85,-27.64,;-6.38,-27.4,;-7.46,-28.48,;-6.62,-25.87,;-7.91,-25.03,;-7.83,-23.49,;-6.45,-22.79,;-5.15,-23.63,;-5.24,-25.18,)|
BDBM50264328 O=C1O[C@]2(CC[C@@H](CC2)c2nc3ccc(cc3[nH]2)-c2ccccc2)c2ccccc12 |r,wU:3.2,wD:6.9,(15.66,-28.28,;16.75,-27.19,;18.28,-27.44,;18.98,-26.06,;19.69,-24.69,;21.23,-24.6,;22.07,-25.9,;21.37,-27.28,;19.82,-27.36,;23.6,-25.82,;24.57,-27.02,;26.01,-26.47,;27.37,-27.17,;28.66,-26.34,;28.57,-24.8,;27.21,-24.11,;25.93,-24.94,;24.45,-24.54,;29.86,-23.96,;31.23,-24.66,;32.52,-23.82,;32.43,-22.28,;31.05,-21.59,;29.77,-22.43,;17.89,-24.97,;17.98,-23.43,;16.68,-22.58,;15.3,-23.28,;15.22,-24.82,;16.51,-25.67,)|
BDBM50264852 O=C1OC2(CCN(CC2)c2nc3cc4OCOc4cc3[nH]2)c2ccccc12
BDBM50264853 FC1(F)Oc2cc3nc([nH]c3cc2O1)N1CCC2(CC1)OC(=O)c1ccccc21
BDBM50265265 FC(F)(F)c1ccc2nc([nH]c2c1)N1CCC2(CC1)OC(=O)c1ccccc21
BDBM50265266 O=C1OC2(CCN(CC2)c2nc3c(cccc3[nH]2)-c2ccccc2)c2ccccc12
BDBM50265267 O=C1OC2(CCN(CC2)c2nc3cc(ccc3[nH]2)-c2ccccc2)c2ccccc12
BDBM50265268 Brc1ccc2nc([nH]c2c1)N1CCC2(CC1)OC(=O)c1ccccc21
BDBM50265269 [O-][N+](=O)c1ccc2nc([nH]c2c1)N1CCC2(CC1)OC(=O)c1ccccc21
BDBM50265296 O=C1OC2(CCN(CC2)c2nc3ccc(cc3[nH]2)C#N)c2ccccc12
BDBM50265297 CC(C)Cc1ccc2nc([nH]c2c1)N1CCC2(CC1)OC(=O)c1ccccc21
BDBM50265298 COC(=O)c1ccc2nc([nH]c2c1)N1CCC2(CC1)OC(=O)c1ccccc21
BDBM50265299 CCOC(=O)c1ccc2nc([nH]c2c1)N1CCC2(CC1)OC(=O)c1ccccc21
BDBM50265300 NC(=O)c1ccc2nc([nH]c2c1)N1CCC2(CC1)OC(=O)c1ccccc21
BDBM50264441 COC(=O)c1cc2[nH]c(nc2cc1Cl)[C@H]1CC[C@@]2(CC1)OC(=O)c1ccccc21 |r,wU:17.22,wD:14.15,(31.64,-2.03,;30.27,-1.33,;28.98,-2.17,;29.06,-3.7,;27.61,-1.47,;26.33,-2.3,;24.97,-1.6,;23.53,-2.16,;22.57,-.95,;23.41,.33,;24.89,-.07,;26.17,.76,;27.53,.07,;28.82,.91,;21.03,-1.03,;20.19,.27,;18.65,.18,;17.95,-1.19,;18.79,-2.49,;20.33,-2.41,;17.24,-2.57,;15.72,-2.33,;14.63,-3.41,;15.47,-.8,;14.18,.04,;14.26,1.58,;15.65,2.29,;16.94,1.44,;16.86,-.1,)|
BDBM50264442 COC(=O)c1ccc2nc([nH]c2c1Cl)[C@H]1CC[C@@]2(CC1)OC(=O)c1ccccc21 |r,wU:17.22,wD:14.15,(8.15,-15.53,;8.06,-14,;6.69,-13.3,;6.61,-11.77,;5.4,-14.14,;5.49,-15.68,;4.2,-16.51,;2.84,-15.81,;1.41,-16.37,;.44,-15.17,;1.28,-13.88,;2.76,-14.28,;4.04,-13.45,;3.96,-11.92,;-1.1,-15.25,;-1.94,-13.94,;-3.48,-14.03,;-4.18,-15.4,;-3.34,-16.7,;-1.8,-16.62,;-4.88,-16.78,;-6.41,-16.54,;-7.5,-17.62,;-6.65,-15.01,;-7.94,-14.17,;-7.86,-12.63,;-6.48,-11.92,;-5.18,-12.77,;-5.27,-14.31,)|
BDBM50264443 O=C1O[C@]2(CC[C@@H](CC2)c2nc3cc(ccc3[nH]2)-c2nnco2)c2ccccc12 |r,wU:3.2,wD:6.9,(17.43,-17.87,;18.52,-16.79,;20.05,-17.03,;20.75,-15.65,;21.46,-14.28,;22.99,-14.19,;23.84,-15.49,;23.13,-16.87,;21.59,-16.95,;25.37,-15.42,;26.21,-14.13,;27.7,-14.53,;28.98,-13.7,;30.34,-14.39,;30.42,-15.93,;29.13,-16.76,;27.77,-16.06,;26.34,-16.62,;31.63,-13.55,;33.06,-14.09,;34.02,-12.9,;33.18,-11.61,;31.7,-12.01,;19.66,-14.56,;19.75,-13.02,;18.45,-12.17,;17.07,-12.88,;16.99,-14.42,;18.28,-15.26,)|
BDBM50264444 Cc1nnc(o1)-c1ccc2[nH]c(nc2c1)[C@H]1CC[C@@]2(CC1)OC(=O)c1ccccc21 |r,wU:18.24,wD:15.17,(6.6,-22.73,;6.06,-24.16,;6.9,-25.45,;5.93,-26.65,;4.5,-26.1,;4.57,-24.56,;3.21,-26.94,;3.29,-28.48,;2.01,-29.31,;.64,-28.62,;-.79,-29.17,;-1.76,-27.97,;-.92,-26.69,;.57,-27.08,;1.85,-26.25,;-3.29,-28.05,;-4.13,-26.75,;-5.67,-26.83,;-6.38,-28.2,;-5.54,-29.5,;-3.99,-29.42,;-7.08,-29.58,;-8.61,-29.34,;-9.69,-30.43,;-8.85,-27.81,;-10.14,-26.97,;-10.06,-25.43,;-8.67,-24.73,;-7.38,-25.57,;-7.47,-27.12,)|
BDBM50264728 Fc1cc2nc([nH]c2cc1F)N1CCC2(CC1)OC(=O)c1ccccc21
BDBM50265336 CNC(=O)c1ccc2nc([nH]c2c1)N1CCC2(CC1)OC(=O)c1ccccc21
BDBM50265337 CN(C)C(=O)c1ccc2nc([nH]c2c1)N1CCC2(CC1)OC(=O)c1ccccc21
BDBM50265338 OC(=O)c1ccc2nc([nH]c2c1)N1CCC2(CC1)OC(=O)c1ccccc21
BDBM50265339 CC(=O)Nc1ccc2nc([nH]c2c1)N1CCC2(CC1)OC(=O)c1ccccc21
BDBM50265340 CS(=O)(=O)Nc1ccc2nc([nH]c2c1)N1CCC2(CC1)OC(=O)c1ccccc21
BDBM50257894 Fc1ccc(cc1)C1(CNC(=N1)c1cccc(F)c1)c1ccc(F)cc1 |c:11|
BDBM50257895 [O-][N+](=O)c1cccc(c1)C1=NC(CN1)(c1ccc(F)cc1)c1ccc(F)cc1 |t:10|
BDBM50257896 CS(=O)(=O)c1cccc(c1)C1=NC(CN1)(c1ccc(F)cc1)c1ccc(F)cc1 |t:11|
BDBM50257897 Fc1ccc(cc1)C1(CNC(=N1)c1cccc(C=O)c1)c1ccc(F)cc1 |c:11|
BDBM50257944 CC(=O)c1cccc(c1)C1=NC(CN1)(c1ccc(F)cc1)c1ccc(F)cc1 |t:10|
BDBM50257945 COC(=O)c1cccc(c1)C1=NC(CN1)(c1ccc(F)cc1)c1ccc(F)cc1 |t:11|
BDBM50257909 NS(=O)(=O)N1CC2(CCN(CC2)C(=O)Nc2ccc(Cl)c(Cl)c2)c2ccccc12
BDBM50257946 Cc1cccc(c1)C1=NC(CN1)(c1ccc(F)cc1)c1ccc(F)cc1 |t:8|
BDBM50257947 OCc1cccc(c1)C1=NC(CN1)(c1ccc(F)cc1)c1ccc(F)cc1 |t:9|
BDBM50257948 COc1cccc(c1)C1=NC(CN1)(c1ccc(F)cc1)c1ccc(F)cc1 |t:9|
BDBM50257954 NS(=O)(=O)N1CC2(CCN(CC2)C(=O)Nc2ccc(Oc3ccccc3)cc2)c2ccccc12
BDBM50257955 CC(=O)c1ccc(NC(=O)N2CCC3(CN(c4ccccc34)S(N)(=O)=O)CC2)cc1
BDBM50257956 CS(=O)(=O)Nc1ccccc1N1CCN(CC1)C(=O)Nc1cc(n[nH]1)-c1ccc(Cl)cc1
BDBM50257987 Nc1cccc(c1)C1=NC(CN1)(c1ccc(F)cc1)c1ccc(F)cc1 |t:8|
BDBM50257988 CN(C)c1cccc(c1)C1=NC(CN1)(c1ccc(F)cc1)c1ccc(F)cc1 |t:10|
BDBM50257989 Fc1ccc(cc1)C1(CNC(=N1)c1ccsc1)c1ccc(F)cc1 |c:11|
BDBM50257990 Fc1ccc(cc1)C1(CNC(=N1)c1cccs1)c1ccc(F)cc1 |c:11|
BDBM50257991 Fc1ccc(cc1)C1(CNC(=N1)c1ccccn1)c1ccc(F)cc1 |c:11|
BDBM50258000 NS(=O)(=O)N1CC2(CCN(CC2)C(=O)Nc2ccccc2Cl)c2ccccc12
BDBM50258001 CS(=O)(=O)N1CC2(CCN(CC2)C(=O)Nc2ccc(Cl)c(Cl)c2)c2ccccc12
BDBM50258002 CCCCc1ccc(NC(=O)N2CCC3(CN(c4ccccc34)S(C)(=O)=O)CC2)cc1
BDBM50258003 CS(=O)(=O)N1CC2(CCN(CC2)C(=O)Nc2ccnc(n2)-c2ccccc2)c2ccccc12
BDBM50258039 Fc1ccc(cc1)C1(CNC(=N1)c1cccnc1)c1ccc(F)cc1 |c:11|
BDBM50258040 Fc1ccc(cc1)C1(CNC(=N1)c1ccncc1)c1ccc(F)cc1 |c:11|
BDBM50258041 Fc1ccc(cc1)C1(CNC(=N1)c1cncnc1)c1ccc(F)cc1 |c:11|
BDBM50258042 Fc1ccc(cc1)C1(CNC(=N1)c1ncccn1)c1ccc(F)cc1 |c:11|
BDBM50258051 CS(=O)(=O)N1CC2(CCN(CC2)C(=O)Nc2cccc(c2)-c2ccncc2)c2ccccc12
BDBM50258052 CS(=O)(=O)N1CC2(CCN(CC2)C(=O)Nc2nccc(n2)-c2ccccc2)c2ccccc12
BDBM50258053 CS(=O)(=O)N1CC2(CCN(CC2)C(=O)Nc2ccc(cc2)-c2ccccc2)c2ccccc12
BDBM50258054 CS(=O)(=O)N1CC2(CCN(CC2)C(=O)Nc2ccccc2-c2ccccc2)c2ccccc12
BDBM50258086 Fc1ccc(cc1)C1(CNC(=N1)c1cccnn1)c1ccc(F)cc1 |c:11|
BDBM50258087 Fc1ccc(cc1)C1(CNC(=N1)c1cccc(n1)C#N)c1ccc(F)cc1 |c:11|
BDBM50258088 Fc1ccc(cc1)C1(CNC(=N1)c1cncc(c1)C#N)c1ccc(F)cc1 |c:11|
BDBM50258089 Fc1ccc(cc1)C1(CNC(=N1)c1ccnc(c1)C#N)c1ccc(F)cc1 |c:11|
BDBM50258098 CS(=O)(=O)N1CC2(CCN(CC2)C(=O)Nc2cccc(c2)-c2ccccc2)c2ccccc12
BDBM50258099 CS(=O)(=O)N1CC2(CCN(CC2)C(=O)Cc2ccc(cc2)-c2ccccc2)c2ccccc12
BDBM50258100 CS(=O)(=O)N1C[C@@]2(CC[C@@H](CC2)C(=O)Nc2ccc(cc2)-c2ccccc2)c2ccccc12 |r,wU:9.12,6.5,(-8.86,-28.6,;-8.08,-27.27,;-9.32,-26.36,;-6.83,-28.19,;-7.04,-26.13,;-5.5,-26.3,;-4.87,-24.88,;-3.54,-25.65,;-2.22,-24.89,;-2.21,-23.35,;-3.54,-22.58,;-4.88,-23.35,;-.87,-22.58,;-.87,-21.04,;.46,-23.36,;1.8,-22.59,;3.12,-23.37,;4.46,-22.6,;4.46,-21.06,;3.12,-20.28,;1.79,-21.05,;5.79,-20.29,;7.13,-21.06,;8.46,-20.29,;8.46,-18.75,;7.12,-17.98,;5.79,-18.75,;-6.02,-23.85,;-6.02,-22.3,;-7.36,-21.53,;-8.69,-22.3,;-8.69,-23.85,;-7.36,-24.62,)|
BDBM50258101 CS(=O)(=O)N1C[C@]2(CC[C@@H](CC2)C(=O)Nc2ccc(cc2)-c2ccccc2)c2ccccc12 |r,wU:6.5,wD:9.12,(13.46,-26.5,;14.24,-25.17,;13,-24.26,;15.48,-26.08,;15.28,-24.03,;16.81,-24.19,;17.44,-22.78,;17.44,-21.24,;18.78,-20.48,;20.11,-21.25,;20.1,-22.78,;18.78,-23.55,;21.44,-20.48,;21.45,-18.94,;22.78,-21.25,;24.11,-20.49,;25.44,-21.26,;26.78,-20.5,;26.78,-18.95,;25.44,-18.18,;24.11,-18.95,;28.11,-18.18,;29.44,-18.96,;30.78,-18.19,;30.78,-16.65,;29.44,-15.88,;28.11,-16.65,;16.3,-21.75,;16.29,-20.19,;14.96,-19.43,;13.63,-20.2,;13.63,-21.75,;14.96,-22.52,)|
BDBM50258138 Fc1ccc(cc1)C1(CNC(=N1)c1cccc(=O)[nH]1)c1ccc(F)cc1 |c:11|
BDBM50258148 CS(=O)(=O)N1CC2(CCN(CC2)C(=O)Nc2ccc(cc2)-c2ccccn2)c2ccccc12
BDBM50258149 CS(=O)(=O)N1CC2(CCN(CC2)C(=O)Nc2ccc(cc2)-c2cccnc2)c2ccccc12
BDBM50258150 CS(=O)(=O)N1CC2(CCN(CC2)C(=O)Nc2ccc(cc2)-c2ccncc2)c2ccccc12
BDBM50258151 CS(=O)(=O)N1CC2(CCN(CC2)C(=O)Nc2ccc(cn2)-c2ccccc2)c2ccccc12
BDBM50257786 C1NC(=NC1(c1ccccc1)c1ccccc1)c1ccccc1 |c:2|
BDBM50257787 Fc1ccc(cc1)C1(CNC(=N1)c1ccccc1)c1ccc(F)cc1 |c:11|
BDBM50257788 Fc1ccc(cc1)C1(CNC(=N1)c1ccccc1Cl)c1ccc(F)cc1 |c:11|
BDBM50257835 Fc1ccc(cc1)C1(CNC(=N1)c1cccc(Cl)c1)c1ccc(F)cc1 |c:11|
BDBM50257836 Fc1ccc(cc1)C1(CNC(=N1)c1ccc(Cl)cc1)c1ccc(F)cc1 |c:11|
BDBM50257837 Fc1ccc(cc1)C1(CNC(=N1)c1cccc(c1)C(F)(F)F)c1ccc(F)cc1 |c:11|
BDBM50257838 Fc1ccc(cc1)C1(CNC(=N1)c1ccc(cc1)C(F)(F)F)c1ccc(F)cc1 |c:11|
BDBM50257839 Fc1ccc(cc1)C1(CNC(=N1)c1cccc(Br)c1)c1ccc(F)cc1 |c:11|
BDBM50258191 CS(=O)(=O)N1CC2(CCN(CC2)C(=O)Nc2ccc(nc2)-c2ccccc2)c2ccccc12
BDBM50258192 CS(=O)(=O)N1CC2(CCN(CC2)C(=O)Nc2ccc(nn2)-c2ccccc2)c2ccccc12
BDBM50258193 CS(=O)(=O)N1CC2(CCN(CC2)C(=O)Nc2cnc(cn2)-c2ccccc2)c2ccccc12
BDBM50258194 CS(=O)(=O)N1CC2(CCN(CC2)C(=O)Nc2cnc(nc2)-c2ccccc2)c2ccccc12
BDBM50258232 CS(=O)(=O)N1CC2(CCN(CC2)C(=O)Nc2ncc(cn2)-c2ccccc2)c2ccccc12
BDBM50261787 CC1(C)CC(=O)C(C2C3=C(CC(C)(C)CC3=O)Oc3ccc(F)cc23)C(=O)C1 |t:8|
BDBM50262552 CC1(C)CC(=O)C([C@@H]2C3=C(CC(C)(C)CC3=O)Oc3ccccc23)C(=O)C1 |r,t:8|
BDBM50262553 CC1(C)CC(=O)C([C@H]2C3=C(CC(C)(C)CC3=O)Oc3ccccc23)C(=O)C1 |r,t:8|
BDBM50261897 CC1(C)CC(=O)C(C2C3=C(CC(C)(C)CC3=O)Oc3cc(F)ccc23)C(=O)C1 |t:8|
BDBM50261898 CC1(C)CC(=O)C(C2C3=C(CC(C)(C)CC3=O)Oc3c(F)cccc23)C(=O)C1 |t:8|
BDBM50261899 Cc1ccc2C(C3C(=O)CC(C)(C)CC3=O)C3=C(CC(C)(C)CC3=O)Oc2c1 |t:17|
BDBM50261900 CCc1ccc2C(C3C(=O)CC(C)(C)CC3=O)C3=C(CC(C)(C)CC3=O)Oc2c1 |t:18|
BDBM50261901 CCOc1ccc2C(C3C(=O)CC(C)(C)CC3=O)C3=C(CC(C)(C)CC3=O)Oc2c1 |t:19|
BDBM50262554 COc1cccc2OC3=C(C(C4C(=O)CC(C)(C)CC4=O)c12)C(=O)CC(C)(C)C3 |c:8|
BDBM50262555 COc1ccc2OC3=C(C(C4C(=O)CC(C)(C)CC4=O)c2c1)C(=O)CC(C)(C)C3 |c:7|
BDBM50261952 CC1(C)CC(=O)C(C2C3=C(CC(C)(C)CC3=O)Oc3cc(Br)ccc23)C(=O)C1 |t:8|
BDBM50261953 O=C1CCCC(=O)C1C1C2=C(CCCC2=O)Oc2ccccc12 |t:10|
BDBM50261954 CC1CC(=O)C(C2C3=C(CC(C)CC3=O)Oc3ccccc23)C(=O)C1 |t:7,(10.69,7.19,;10.67,5.66,;9.32,4.91,;9.3,3.37,;7.96,4.14,;10.63,2.59,;10.61,1.05,;9.26,.29,;9.26,-1.26,;7.93,-2.03,;6.59,-1.26,;5.25,-2.02,;6.59,.29,;7.93,1.06,;7.93,2.6,;10.59,-2.04,;11.93,-1.27,;13.26,-2.04,;14.6,-1.27,;14.59,.28,;13.26,1.04,;11.93,.27,;11.97,3.34,;13.29,2.56,;11.99,4.87,)|
BDBM50261955 CCC1(CC)CC(=O)C(C2C3=C(CC(CC)(CC)CC3=O)Oc3ccccc23)C(=O)C1 |t:10|
BDBM50261956 O=C1CC2(CCC2)CC(=O)C1C1C2=C(CC3(CCC3)CC2=O)Oc2ccccc12 |t:14|
BDBM50262001 O=C1CC2(CCCC2)CC(=O)C1C1C2=C(CC3(CCCC3)CC2=O)Oc2ccccc12 |t:15|
BDBM50262002 O=C1CC2(CCCCC2)CC(=O)C1C1C2=C(CC3(CCCCC3)CC2=O)Oc2ccccc12 |t:16|
BDBM50261721 COc1ccc2C(C3C(=O)CC(C)(C)CC3=O)C3=C(CC(C)(C)CC3=O)Oc2c1 |t:18|
BDBM50261722 COc1cccc2C(C3C(=O)CC(C)(C)CC3=O)C3=C(CC(C)(C)CC3=O)Oc12 |t:19|
BDBM50261723 CC1(C)CC(=O)C(C2C3=C(CC(C)(C)CC3=O)Oc3ccc(Cl)cc23)C(=O)C1 |t:8|
BDBM50261724 CC1(C)CC(=O)C(C2C3=C(CC(C)(C)CC3=O)Oc3cc(Cl)ccc23)C(=O)C1 |t:8|
BDBM50261725 CC1(C)CC(=O)C(C2C3=C(CC(C)(C)CC3=O)Oc3c(Cl)cccc23)C(=O)C1 |t:8|
BDBM50246646 CCC(=O)NC(N)=NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1 |r,w:7.7|
BDBM50268358 O=C(Nc1cnc(cn1)-c1ccccc1)N1CCC2(CC1)OCc1ccccc21
BDBM50268737 Clc1ccccc1-c1cc(NC(=O)N2CCC3(CC2)OC(=O)c2ccccc32)on1
BDBM50268738 Clc1cccc(c1)-c1cc(NC(=O)N2CCC3(CC2)OC(=O)c2ccccc32)on1
BDBM50268739 Clc1ccc(cc1)-c1cc(NC(=O)N2CCC3(CC2)OC(=O)c2ccccc32)on1
BDBM50268740 O=C(Nc1cc(n[nH]1)-c1ccccc1)N1CCC2(CC1)OC(=O)c1ccccc21
BDBM50268774 O=C(Nc1ccn(n1)-c1ccccc1)N1CCC2(CC1)OC(=O)c1ccccc21
BDBM50268775 O=C(Nc1cnn(c1)-c1ccccc1)N1CCC2(CC1)OC(=O)c1ccccc21
BDBM50268776 O=C(Nc1cn(cn1)-c1ccccc1)N1CCC2(CC1)OC(=O)c1ccccc21
BDBM50268777 O=C(Nc1ncc(s1)-c1ccccc1)N1CCC2(CC1)OC(=O)c1ccccc21
BDBM50268778 O=C(Nc1nc(cs1)-c1ccccc1)N1CCC2(CC1)OC(=O)c1ccccc21
BDBM50268532 O=C(Nc1ncc(cn1)-c1ccccc1)N1CCC2(CC1)OC(=O)c1ccccc21
BDBM50268883 O=C(Nc1nsc(n1)-c1ccccc1)N1CCC2(CC1)OC(=O)c1ccccc21
BDBM50268884 O=C(Nc1nnc(s1)-c1ccccc1)N1CCC2(CC1)OC(=O)c1ccccc21
BDBM50268533 Clc1ccccc1-c1cnc(NC(=O)N2CCC3(CC2)OC(=O)c2ccccc32)nc1
BDBM50268594 COc1ccccc1-c1cnc(NC(=O)N2CCC3(CC2)OC(=O)c2ccccc32)nc1
BDBM50268595 COc1cccc(c1)-c1cnc(NC(=O)N2CCC3(CC2)OC(=O)c2ccccc32)nc1
BDBM50268596 COc1ccc(cc1)-c1cnc(NC(=O)N2CCC3(CC2)OC(=O)c2ccccc32)nc1
BDBM50268597 Fc1ccccc1-c1cnc(NC(=O)N2CCC3(CC2)OC(=O)c2ccccc32)nc1
BDBM50268534 Clc1cccc(c1)-c1cnc(NC(=O)N2CCC3(CC2)OC(=O)c2ccccc32)nc1
BDBM50268535 Clc1ccc(cc1)-c1cnc(NC(=O)N2CCC3(CC2)OC(=O)c2ccccc32)nc1
BDBM50268467 O=C(Nc1cnc(cn1)-c1ccccc1)N1CCC2(CC1)NC(=O)Cc1ccccc21
BDBM50268468 O=C(Nc1cnc(cn1)-c1ccccc1)N1CCC2(CC1)CNC(=O)c1ccccc21
BDBM50268469 O=C(Nc1cnc(cn1)-c1ccccc1)N1CCC2(CC1)OC(=O)Cc1ccccc21
BDBM50268470 O=C(Nc1cnc(cn1)-c1ccccc1)N1CCC2(CC1)OCCc1ccccc21
BDBM50268648 Fc1cccc(c1)-c1cnc(NC(=O)N2CCC3(CC2)OC(=O)c2ccccc32)nc1
BDBM50268649 Fc1ccc(cc1)-c1cnc(NC(=O)N2CCC3(CC2)OC(=O)c2ccccc32)nc1
BDBM50268650 FC(F)(F)c1ccccc1-c1cnc(NC(=O)N2CCC3(CC2)OC(=O)c2ccccc32)nc1
BDBM50268651 FC(F)(F)c1cccc(c1)-c1cnc(NC(=O)N2CCC3(CC2)OC(=O)c2ccccc32)nc1
BDBM50268697 FC(F)(F)c1ccc(cc1)-c1cnc(NC(=O)N2CCC3(CC2)OC(=O)c2ccccc32)nc1
BDBM50268698 O=C(Nc1cnc(nc1)-c1ccccc1)N1CCC2(CC1)OC(=O)c1ccccc21
BDBM50268699 O=C(Nc1ccc(nn1)-c1ccccc1)N1CCC2(CC1)OC(=O)c1ccccc21
BDBM50268700 O=C(Nc1cc(no1)-c1ccccc1)N1CCC2(CC1)OC(=O)c1ccccc21
BDBM50268305 CN1C(=O)c2ccccc2C11CCN(CC1)C(=O)Nc1cnc(cn1)-c1ccccc1
BDBM50268306 O=C(Nc1cnc(cn1)-c1ccccc1)N1CCC2(CC1)NC(=O)c1ccccc21
BDBM50304297 O=C(Nc1ccn(n1)-c1ccccc1)[C@H]1CC[C@@]2(CC1)OC(=O)c1ncccc21 |r,wU:17.22,wD:14.15,(24.81,-8.6,;25.58,-9.94,;27.12,-9.94,;28,-11.21,;29.55,-11.24,;29.99,-12.71,;28.72,-13.59,;27.5,-12.65,;28.69,-15.12,;27.34,-15.86,;27.3,-17.4,;28.62,-18.2,;29.97,-17.45,;30,-15.91,;24.81,-11.27,;23.27,-11.27,;22.5,-12.6,;23.27,-13.93,;24.81,-13.93,;25.58,-12.6,;24.19,-15.19,;23.28,-16.44,;23.75,-17.91,;21.8,-15.96,;20.47,-16.74,;19.14,-15.96,;19.14,-14.42,;20.47,-13.65,;21.8,-14.41,)|
BDBM50304298 O=C(Nc1cnn(c1)-c1ccccc1)[C@H]1CC[C@@]2(CC1)OC(=O)c1ncccc21 |r,wU:17.22,wD:14.15,(-4.96,-20.66,;-4.19,-21.99,;-2.65,-21.99,;-1.77,-23.26,;-.23,-23.29,;.22,-24.77,;-1.05,-25.64,;-2.28,-24.71,;-1.08,-27.17,;-2.44,-27.91,;-2.47,-29.45,;-1.16,-30.25,;.2,-29.51,;.23,-27.97,;-4.96,-23.32,;-6.5,-23.32,;-7.28,-24.66,;-6.5,-25.99,;-4.96,-25.99,;-4.2,-24.66,;-5.58,-27.24,;-6.49,-28.5,;-6.02,-29.96,;-7.97,-28.02,;-9.3,-28.79,;-10.64,-28.02,;-10.63,-26.48,;-9.31,-25.7,;-7.97,-26.47,)|
BDBM50304299 O=C(Nc1ccn(n1)-c1ccccc1)[C@H]1CC[C@@]2(CC1)OC(=O)c1ccncc21 |r,wU:17.22,wD:14.15,(12.31,-8.24,;13.08,-9.57,;14.62,-9.57,;15.45,-10.87,;16.99,-10.95,;17.38,-12.44,;16.09,-13.28,;14.9,-12.31,;16.01,-14.82,;14.63,-15.51,;14.55,-17.04,;15.84,-17.89,;17.22,-17.18,;17.3,-15.65,;12.3,-10.9,;10.76,-10.9,;9.99,-12.24,;10.76,-13.56,;12.3,-13.56,;13.07,-12.24,;11.68,-14.82,;10.77,-16.08,;11.25,-17.54,;9.3,-15.6,;7.96,-16.37,;6.63,-15.6,;6.63,-14.05,;7.96,-13.28,;9.3,-14.05,)|
BDBM50304300 Fc1ccccc1-n1ccc(NC(=O)[C@H]2CC[C@@]3(CC2)OC(=O)c2ccncc32)n1 |r,wU:17.21,wD:14.14,(16.87,-28.98,;15.54,-29.75,;15.54,-31.28,;14.2,-32.06,;12.87,-31.29,;12.87,-29.75,;14.21,-28.98,;14.21,-27.45,;15.45,-26.55,;14.98,-25.08,;13.44,-25.08,;12.53,-23.84,;10.99,-23.84,;10.22,-22.5,;10.22,-25.17,;8.68,-25.17,;7.91,-26.5,;8.68,-27.83,;10.22,-27.83,;10.99,-26.5,;9.6,-29.09,;8.69,-30.34,;9.16,-31.81,;7.21,-29.86,;5.88,-30.63,;4.55,-29.86,;4.55,-28.32,;5.88,-27.55,;7.21,-28.31,;12.96,-26.54,)|
BDBM50304301 Fc1ccc(cc1)-n1ccc(NC(=O)[C@H]2CC[C@@]3(CC2)OC(=O)c2ccncc32)n1 |r,wU:17.21,wD:14.14,(.68,-45.87,;.68,-44.33,;-.66,-43.55,;-.65,-42.02,;.68,-41.25,;2.01,-42.01,;2.02,-43.55,;.68,-39.72,;1.93,-38.81,;1.45,-37.35,;-.09,-37.35,;-.99,-36.1,;-2.53,-36.1,;-3.3,-34.77,;-3.31,-37.43,;-4.85,-37.43,;-5.62,-38.77,;-4.85,-40.09,;-3.31,-40.09,;-2.54,-38.77,;-3.93,-41.35,;-4.84,-42.61,;-4.36,-44.07,;-6.31,-42.13,;-7.65,-42.9,;-8.98,-42.13,;-8.98,-40.58,;-7.65,-39.81,;-6.31,-40.58,;-.56,-38.81,)|
BDBM50304303 O=C(Nc1cnc(cn1)-c1ccccc1)[C@H]1CC[C@@]2(CC1)OC(=O)c1ccccc21 |r,wU:18.23,wD:15.16,(-4.29,5.75,;-3.52,4.41,;-1.98,4.41,;-1.21,3.08,;-1.99,1.75,;-1.22,.41,;.32,.41,;1.09,1.75,;.32,3.08,;1.09,-.92,;.32,-2.25,;1.08,-3.58,;2.63,-3.58,;3.4,-2.24,;2.62,-.91,;-4.29,3.08,;-5.83,3.08,;-6.61,1.75,;-5.83,.42,;-4.29,.42,;-3.53,1.75,;-4.91,-.84,;-5.83,-2.09,;-5.35,-3.56,;-7.3,-1.61,;-8.63,-2.39,;-9.97,-1.61,;-9.97,-.07,;-8.64,.7,;-7.3,-.06,)|
BDBM50304304 O=C(Nc1cnc(cn1)-c1ccccc1)[C@H]1CC[C@@]2(CC1)OC(=O)c1ncccc21 |r,wU:18.23,wD:15.16,(11.32,4.93,;12.09,3.6,;13.63,3.6,;14.4,2.26,;13.62,.93,;14.39,-.4,;15.93,-.41,;16.7,.94,;15.93,2.26,;16.7,-1.73,;15.93,-3.07,;16.69,-4.4,;18.24,-4.4,;19.01,-3.06,;18.23,-1.73,;11.32,2.26,;9.78,2.26,;9,.93,;9.78,-.4,;11.32,-.4,;12.08,.93,;10.7,-1.65,;9.78,-2.91,;10.26,-4.37,;8.31,-2.43,;6.98,-3.2,;5.64,-2.43,;5.64,-.89,;6.97,-.12,;8.31,-.88,)|
BDBM50304305 O=C(Nc1cc(on1)-c1ccccc1)[C@H]1CC[C@@]2(CC1)OC(=O)c1ncccc21 |r,wU:17.22,wD:14.15,(-4.45,-8.24,;-3.68,-9.57,;-2.14,-9.57,;-1.26,-10.84,;-1.77,-12.3,;-.55,-13.24,;.72,-12.36,;.28,-10.88,;-.58,-14.78,;-1.93,-15.51,;-1.97,-17.04,;-.65,-17.85,;.7,-17.1,;.73,-15.56,;-4.45,-10.9,;-5.99,-10.9,;-6.76,-12.24,;-5.99,-13.56,;-4.45,-13.56,;-3.68,-12.24,;-5.07,-14.82,;-5.98,-16.08,;-5.51,-17.54,;-7.46,-15.6,;-8.79,-16.37,;-10.12,-15.6,;-10.12,-14.05,;-8.79,-13.28,;-7.46,-14.05,)|
BDBM50304306 O=C(Nc1cc(n[nH]1)-c1ccccc1)[C@H]1CC[C@@]2(CC1)OC(=O)c1ncccc21 |r,wU:17.22,wD:14.15,(10.49,-8.76,;11.26,-10.1,;12.8,-10.1,;13.67,-11.37,;13.16,-12.83,;14.39,-13.76,;15.65,-12.89,;15.21,-11.41,;14.35,-15.3,;13,-16.03,;12.96,-17.57,;14.28,-18.38,;15.64,-17.63,;15.67,-16.09,;10.48,-11.43,;8.94,-11.43,;8.17,-12.77,;8.94,-14.09,;10.48,-14.09,;11.25,-12.77,;9.86,-15.35,;8.95,-16.61,;9.43,-18.07,;7.48,-16.13,;6.14,-16.9,;4.81,-16.13,;4.81,-14.58,;6.14,-13.81,;7.48,-14.58,)|
BDBM50304307 O=C(Nc1cnc(cn1)-c1ccccc1)[C@H]1CC[C@@]2(CC1)OC(=O)c1cnccc21 |r,wU:18.23,wD:15.16,(10.15,-23,;10.91,-24.33,;12.45,-24.34,;13.29,-25.63,;12.58,-26.99,;13.42,-28.29,;14.96,-28.21,;15.66,-26.83,;14.82,-25.54,;15.8,-29.5,;15.09,-30.87,;15.93,-32.16,;17.47,-32.09,;18.17,-30.71,;17.33,-29.42,;10.14,-25.67,;8.6,-25.67,;7.83,-27,;8.6,-28.33,;10.14,-28.33,;10.91,-27,;9.52,-29.58,;8.61,-30.84,;9.09,-32.3,;7.13,-30.36,;5.8,-31.13,;4.47,-30.36,;4.47,-28.82,;5.8,-28.05,;7.13,-28.81,)|
BDBM50304308 O=C(Nc1cc(n[nH]1)-c1ccccc1)[C@H]1CC[C@@]2(CC1)OC(=O)c1cnccc21 |r,wU:17.22,wD:14.15,(-3.34,-34.45,;-2.57,-35.79,;-1.03,-35.79,;-.2,-37.09,;-.75,-38.53,;.44,-39.5,;1.74,-38.66,;1.34,-37.17,;.36,-41.03,;-1.01,-41.72,;-1.1,-43.26,;.19,-44.1,;1.57,-43.4,;1.65,-41.87,;-3.34,-37.12,;-4.88,-37.12,;-5.66,-38.46,;-4.88,-39.78,;-3.34,-39.78,;-2.58,-38.46,;-3.97,-41.04,;-4.88,-42.3,;-4.4,-43.76,;-6.35,-41.82,;-7.68,-42.59,;-9.02,-41.82,;-9.02,-40.27,;-7.69,-39.5,;-6.35,-40.27,)|
BDBM50304309 O=C(Nc1cnc(cn1)-c1ccccc1)[C@H]1CC[C@@]2(CC1)OC(=O)c1ccncc21 |r,wU:18.23,wD:15.16,(12.25,-35.6,;13.01,-36.93,;14.55,-36.94,;15.39,-38.23,;14.68,-39.59,;15.52,-40.89,;17.06,-40.81,;17.76,-39.43,;16.92,-38.14,;17.9,-42.1,;17.19,-43.47,;18.03,-44.76,;19.57,-44.69,;20.27,-43.31,;19.43,-42.02,;12.24,-38.27,;10.7,-38.27,;9.93,-39.6,;10.7,-40.93,;12.24,-40.93,;13.01,-39.6,;11.62,-42.18,;10.71,-43.44,;11.19,-44.9,;9.23,-42.96,;7.9,-43.73,;6.57,-42.96,;6.57,-41.42,;7.9,-40.65,;9.23,-41.41,)|
BDBM50304310 O=C(Nc1cc(on1)-c1ccccc1)[C@H]1CC[C@@]2(CC1)OC(=O)c1ccncc21 |r,wU:17.22,wD:14.15,(-3.73,5.98,;-2.96,4.65,;-1.42,4.65,;-.52,3.4,;-1,1.93,;.24,1.03,;1.49,1.93,;1.01,3.39,;.24,-.51,;-1.1,-1.28,;-1.1,-2.82,;.23,-3.59,;1.57,-2.81,;1.57,-1.28,;-3.73,3.31,;-5.27,3.31,;-6.05,1.98,;-5.27,.65,;-3.73,.65,;-2.97,1.98,;-4.35,-.6,;-5.27,-1.86,;-4.79,-3.32,;-6.74,-1.38,;-8.07,-2.15,;-9.41,-1.38,;-9.41,.16,;-8.08,.93,;-6.74,.17,)|
BDBM50304311 O=C(Nc1cc(n[nH]1)-c1ccccc1)[C@H]1CC[C@@]2(CC1)OC(=O)c1ccncc21 |r,wU:17.22,wD:14.15,(10.87,4.89,;11.64,3.56,;13.18,3.56,;14.01,2.26,;13.45,.83,;14.64,-.15,;15.94,.69,;15.54,2.18,;14.56,-1.68,;13.19,-2.38,;13.1,-3.91,;14.39,-4.75,;15.77,-4.05,;15.85,-2.52,;10.87,2.23,;9.33,2.23,;8.55,.89,;9.33,-.44,;10.87,-.44,;11.63,.89,;10.24,-1.69,;9.33,-2.95,;9.81,-4.41,;7.86,-2.47,;6.53,-3.24,;5.19,-2.47,;5.19,-.93,;6.52,-.15,;7.86,-.92,)|
BDBM50304312 O=C(Nc1ccc(cn1)-c1ccccc1)[C@H]1CC[C@@]2(CC1)OC(=O)c1ccncc21 |r,wU:18.23,wD:15.16,(24.78,5.17,;25.55,3.84,;27.09,3.84,;27.93,2.54,;27.22,1.18,;28.05,-.12,;29.59,-.04,;30.29,1.34,;29.45,2.63,;30.43,-1.33,;29.72,-2.7,;30.56,-3.99,;32.1,-3.92,;32.8,-2.53,;31.96,-1.25,;24.78,2.51,;23.24,2.51,;22.47,1.17,;23.24,-.16,;24.78,-.16,;25.55,1.17,;24.16,-1.41,;23.25,-2.67,;23.72,-4.13,;21.77,-2.19,;20.44,-2.96,;19.11,-2.19,;19.11,-.65,;20.44,.13,;21.77,-.64,)|
BDBM50304313 O=C(Nc1csc(n1)-c1ccccc1)[C@H]1CC[C@@]2(CC1)OC(=O)c1ccncc21 |r,wU:17.22,wD:14.15,(-3.64,-7.7,;-2.87,-9.03,;-1.33,-9.04,;-.39,-10.26,;1.15,-10.22,;1.66,-11.67,;.44,-12.61,;-.83,-11.74,;.48,-14.15,;-.83,-14.95,;-.79,-16.49,;.56,-17.22,;1.88,-16.41,;1.83,-14.88,;-3.64,-10.37,;-5.18,-10.37,;-5.95,-11.7,;-5.18,-13.03,;-3.64,-13.03,;-2.87,-11.7,;-4.26,-14.29,;-5.17,-15.54,;-4.7,-17.01,;-6.65,-15.06,;-7.98,-15.83,;-9.31,-15.06,;-9.31,-13.52,;-7.98,-12.75,;-6.65,-13.51,)|
BDBM50304314 O=C(Nc1cnn(c1)-c1ccccc1)[C@H]1CC[C@@]2(CC1)OC(=O)c1ccncc21 |r,wU:17.22,wD:14.15,(25.62,-7.99,;26.39,-9.32,;27.93,-9.32,;28.84,-10.57,;30.38,-10.57,;30.85,-12.03,;29.61,-12.94,;28.36,-12.03,;29.61,-14.47,;28.27,-15.24,;28.27,-16.77,;29.6,-17.55,;30.94,-16.77,;30.94,-15.23,;25.62,-10.65,;24.08,-10.65,;23.31,-11.99,;24.08,-13.32,;25.62,-13.32,;26.39,-11.99,;25,-14.57,;24.09,-15.83,;24.56,-17.29,;22.61,-15.35,;21.28,-16.12,;19.95,-15.35,;19.95,-13.81,;21.28,-13.03,;22.61,-13.8,)|
BDBM50304315 O=C(Nc1cnn(n1)-c1ccccc1)[C@H]1CC[C@@]2(CC1)OC(=O)c1ccncc21 |r,wU:17.22,wD:14.15,(-4.09,-21.75,;-3.32,-23.08,;-1.78,-23.08,;-.88,-24.33,;.67,-24.33,;1.14,-25.79,;-.1,-26.7,;-1.35,-25.79,;-.1,-28.23,;-1.44,-29,;-1.44,-30.53,;-.11,-31.31,;1.23,-30.53,;1.23,-28.99,;-4.09,-24.41,;-5.63,-24.41,;-6.41,-25.75,;-5.63,-27.07,;-4.09,-27.07,;-3.33,-25.75,;-4.71,-28.33,;-5.62,-29.59,;-5.15,-31.05,;-7.1,-29.11,;-8.43,-29.88,;-9.77,-29.11,;-9.76,-27.56,;-8.43,-26.79,;-7.1,-27.56,)|
BDBM50304316 Fc1cccc(c1)-n1ccc(NC(=O)[C@H]2CC[C@@]3(CC2)OC(=O)c2ccncc32)n1 |r,wU:17.21,wD:14.14,(32.55,-32.84,;31.21,-32.08,;29.88,-32.85,;28.54,-32.08,;28.54,-30.54,;29.88,-29.78,;31.21,-30.54,;29.88,-28.24,;31.13,-27.34,;30.65,-25.87,;29.11,-25.88,;28.2,-24.63,;26.66,-24.63,;25.9,-23.29,;25.89,-25.96,;24.35,-25.96,;23.58,-27.3,;24.35,-28.62,;25.89,-28.62,;26.66,-27.3,;25.27,-29.88,;24.36,-31.14,;24.84,-32.6,;22.88,-30.66,;21.55,-31.43,;20.22,-30.66,;20.22,-29.11,;21.55,-28.34,;22.88,-29.11,;28.63,-27.34,)|
BDBM50304317 O=C(Nc1cnc(cn1)-c1ccccc1)[C@H]1CC[C@@]2(CC1)OC(=O)c1cccnc21 |r,wU:18.23,wD:15.16,(11.21,-36.61,;11.98,-37.94,;13.52,-37.95,;14.33,-39.26,;13.59,-40.61,;14.41,-41.92,;15.95,-41.87,;16.67,-40.5,;15.86,-39.2,;16.76,-43.17,;16.03,-44.53,;16.84,-45.84,;18.38,-45.79,;19.11,-44.42,;18.29,-43.12,;11.21,-39.28,;9.67,-39.28,;8.89,-40.61,;9.67,-41.94,;11.21,-41.94,;11.97,-40.61,;10.59,-43.2,;9.68,-44.45,;10.15,-45.92,;8.2,-43.97,;6.87,-44.74,;5.53,-43.97,;5.54,-42.43,;6.86,-41.66,;8.2,-42.42,)|
BDBM50304318 O=C(Nc1cc(on1)-c1ccccc1)[C@H]1CC[C@@]2(CC1)OC(=O)c1cccnc21 |r,wU:17.22,wD:14.15,(-2.39,3.57,;-1.62,2.24,;-.08,2.23,;.84,1,;.38,-.47,;1.64,-1.36,;2.87,-.43,;2.37,1.02,;1.67,-2.89,;.34,-3.68,;.36,-5.22,;1.71,-5.97,;3.04,-5.17,;3.01,-3.63,;-2.4,.9,;-3.94,.9,;-4.71,-.43,;-3.94,-1.76,;-2.4,-1.76,;-1.63,-.43,;-3.02,-3.02,;-3.93,-4.27,;-3.45,-5.74,;-5.4,-3.79,;-6.74,-4.56,;-8.07,-3.79,;-8.07,-2.25,;-6.74,-1.48,;-5.4,-2.24,)|
BDBM50304319 O=C(Nc1cc(n[nH]1)-c1ccccc1)[C@H]1CC[C@@]2(CC1)OC(=O)c1cccnc21 |r,wU:17.22,wD:14.15,(17.04,3.61,;17.81,2.27,;19.35,2.27,;20.28,1.04,;19.82,-.43,;21.08,-1.32,;22.31,-.39,;21.81,1.06,;21.1,-2.85,;19.78,-3.64,;19.8,-5.18,;21.15,-5.93,;22.47,-5.13,;22.44,-3.59,;17.04,.94,;15.5,.94,;14.73,-.39,;15.5,-1.72,;17.04,-1.72,;17.81,-.39,;16.42,-2.98,;15.51,-4.23,;15.98,-5.7,;14.03,-3.75,;12.7,-4.52,;11.37,-3.75,;11.37,-2.21,;12.7,-1.44,;14.03,-2.2,)|
BDBM50298619 CS(=O)(=O)N1CC2(CCN(CC2)C(=O)Nc2nc3cc(Cl)ccc3o2)c2ccccc12
BDBM50298620 COc1cccc2sc(NC(=O)N3CCC4(CN(c5ccccc45)S(C)(=O)=O)CC3)nc12
BDBM50298621 CS(=O)(=O)N1CC2(CCN(CC2)C(=O)Nc2ccc3ncccc3c2)c2ccccc12
BDBM50298622 CS(=O)(=O)N1CC2(CCN(CC2)C(=O)Nc2cnc3ccccc3c2)c2ccccc12
BDBM50298623 CS(=O)(=O)N1CC2(CCN(CC2)C(=O)Nc2ccc3ccccc3n2)c2ccccc12
BDBM50298624 CS(=O)(=O)N1CC2(CCN(CC2)C(=O)Nc2cn(cn2)-c2ccccc2)c2ccccc12
BDBM50298625 CS(=O)(=O)N1CC2(CCN(CC2)C(=O)Nc2cc(no2)-c2ccccc2)c2ccccc12
BDBM50298626 CS(=O)(=O)N1CC2(CCN(CC2)C(=O)Nc2nnc(s2)-c2ccccc2)c2ccccc12
BDBM50298627 CS(=O)(=O)N1CC2(CCN(CC2)C(=O)Nc2ncc(s2)-c2ccccc2)c2ccccc12
BDBM50298628 CS(=O)(=O)N1CC2(CCN(CC2)C(=O)Nc2cc(n[nH]2)-c2ccccc2)c2ccccc12
BDBM50298629 Cn1ccnc1-c1ccc(NC(=O)N2CCC3(CN(c4ccccc34)S(C)(=O)=O)CC2)cc1
BDBM50298630 CS(=O)(=O)N1CC2(CCN(CC2)C(=O)Nc2ccc(cc2)-c2cscn2)c2ccccc12
BDBM50298631 CS(=O)(=O)N1CC2(CCN(CC2)C(=O)Nc2ccc(cc2)-c2ccco2)c2ccccc12
BDBM50298632 CS(=O)(=O)N1CC2(CCN(CC2)C(=O)Nc2ccc(cc2)-c2nccs2)c2ccccc12
BDBM50298633 CS(=O)(=O)N1CC2(CCN(CC2)C(=O)Nc2ccc(cc2)-n2cccn2)c2ccccc12
BDBM50298634 CS(=O)(=O)N1CC2(CCN(CC2)C(=O)Nc2ccc(cc2)-n2nccn2)c2ccccc12
BDBM50298635 CS(=O)(=O)N1CC2(CCN(CC2)C(=O)Nc2ccc(Oc3ccccc3)cc2)c2ccccc12
BDBM50298636 CS(=O)(=O)N1CC2(CCN(CC2)C(=O)Nc2ccc(cc2)C(=O)c2ccccc2)c2ccccc12
BDBM50298637 CC(=O)c1ccc(NC(=O)N2CCC3(CN(c4ccccc34)S(C)(=O)=O)CC2)cc1
BDBM50298638 CS(=O)(=O)N1CC2(CCN(CC2)C(=O)Nc2ccc(Cl)cn2)c2ccccc12
BDBM50298639 CS(=O)(=O)N1CC2(CCN(CC2)C(=O)Nc2ccc(Cl)nc2)c2ccccc12
BDBM50298640 CS(=O)(=O)N1CC2(CCN(CC2)C(=O)Nc2cccnc2)c2ccccc12
BDBM50298641 CCS(=O)(=O)N1CC2(CCN(CC2)C(=O)Nc2cn(cn2)-c2ccccc2)c2ccccc12
BDBM50298642 CCS(=O)(=O)N1CC2(CCN(CC2)C(=O)Nc2cn(cn2)-c2ccccc2F)c2ccccc12
BDBM50298643 CCS(=O)(=O)N1CC2(CCN(CC2)C(=O)Nc2cn(cn2)-c2cccc(F)c2)c2ccccc12
BDBM50298644 CCS(=O)(=O)N1CC2(CCN(CC2)C(=O)Nc2cn(cn2)-c2ccc(F)cc2)c2ccccc12
BDBM50298645 CCS(=O)(=O)N1CC2(CCN(CC2)C(=O)Nc2cn(cn2)-c2ccccc2OC)c2ccccc12
BDBM50298646 CCS(=O)(=O)N1CC2(CCN(CC2)C(=O)Nc2cn(cn2)-c2cccc(OC)c2)c2ccccc12
BDBM50298647 CCS(=O)(=O)N1CC2(CCN(CC2)C(=O)Nc2cn(cn2)-c2ccc(OC)cc2)c2ccccc12
BDBM50298648 CS(=O)(=O)N1CC2(CCN(CC2)C(=O)Nc2cn(cn2)-c2ccccc2F)c2ccccc12
BDBM50298649 CS(=O)(=O)N1CC2(CCN(CC2)C(=O)Nc2cn(cn2)-c2cccc(F)c2)c2ccccc12
BDBM50312007 C(Cc1ccc(cc1)N=C1NCCS1)Nc1nc2ccccc2s1 |w:8.8|
BDBM50312042 C(Cc1ccc(cc1)N=C1N[C@@H](CCS1)c1ccccc1)Nc1nc2ccccc2s1 |r,w:8.8|
BDBM50301640 FCc1cccc(c1)-c1cnc(NC(=O)[C@H]2CC[C@@]3(CC2)OC(=O)c2ccncc32)nc1 |r,wU:18.22,wD:15.15,(30.84,-33.5,;29.51,-32.74,;28.18,-33.51,;28.18,-35.06,;26.85,-35.83,;25.52,-35.06,;25.52,-33.52,;26.84,-32.75,;24.18,-32.75,;22.85,-33.52,;21.52,-32.75,;21.52,-31.22,;20.19,-30.45,;18.86,-31.22,;17.52,-30.45,;18.86,-32.76,;17.53,-33.53,;17.53,-35.07,;18.86,-35.84,;20.19,-35.07,;20.19,-33.53,;19.78,-37.08,;18.87,-38.35,;19.36,-39.81,;17.39,-37.87,;16.05,-38.65,;14.72,-37.87,;14.72,-36.33,;16.05,-35.56,;17.38,-36.32,;22.85,-30.44,;24.18,-31.21,)|
BDBM50301641 O=C(Nc1ncc(cn1)-c1ccccc1)[C@H]1CC[C@@]2(CC1)OC(=O)c1cccnc21 |r,wU:18.23,wD:15.16,(27.76,-36.84,;28.53,-38.18,;30.07,-38.18,;30.88,-39.49,;30.15,-40.84,;30.96,-42.15,;32.5,-42.1,;33.22,-40.74,;32.41,-39.43,;33.31,-43.4,;32.58,-44.76,;33.39,-46.07,;34.93,-46.02,;35.66,-44.65,;34.84,-43.35,;27.76,-39.51,;26.22,-39.51,;25.44,-40.84,;26.22,-42.17,;27.76,-42.17,;28.52,-40.84,;27.14,-43.43,;26.23,-44.68,;26.7,-46.15,;24.75,-44.21,;23.42,-44.98,;22.08,-44.21,;22.09,-42.66,;23.42,-41.89,;24.75,-42.65,)|
BDBM50301642 Fc1ccccc1-c1cnc(NC(=O)[C@H]2CC[C@@]3(CC2)OC(=O)c2cnccc32)nc1 |r,wU:17.21,wD:14.14,(31.68,5.18,;31.69,3.64,;33.02,2.88,;33.03,1.33,;31.69,.56,;30.36,1.33,;30.36,2.87,;29.03,3.64,;27.69,2.87,;26.36,3.64,;26.37,5.18,;25.04,5.95,;23.7,5.18,;22.37,5.95,;23.7,3.64,;22.37,2.86,;22.37,1.32,;23.7,.56,;25.03,1.32,;25.03,2.86,;24.62,-.69,;23.72,-1.95,;24.2,-3.41,;22.24,-1.48,;20.9,-2.25,;19.56,-1.48,;19.57,.06,;20.9,.83,;22.23,.07,;27.69,5.95,;29.02,5.19,)|
BDBM50301643 O=C(Nc1ncc(cn1)-c1ccccc1)[C@H]1CC[C@@]2(CC1)OC(=O)c1ccccc21 |r,wU:18.23,wD:15.16,(-7.28,6.74,;-5.95,5.97,;-4.61,6.74,;-3.28,5.97,;-3.29,4.43,;-1.96,3.66,;-.62,4.43,;-.62,5.98,;-1.96,6.74,;.71,3.66,;.71,2.12,;2.05,1.35,;3.38,2.13,;3.37,3.67,;2.04,4.43,;-5.95,4.43,;-7.28,3.65,;-7.28,2.11,;-5.95,1.35,;-4.62,2.11,;-4.62,3.65,;-5.03,.1,;-5.93,-1.16,;-5.45,-2.62,;-7.41,-.69,;-8.75,-1.46,;-10.08,-.69,;-10.08,.86,;-8.75,1.63,;-7.42,.86,)|
BDBM50301644 O=C(Nc1ncc(cn1)-c1ccccc1)[C@H]1CC[C@@]2(CC1)OC(=O)c1ncccc21 |r,wU:18.23,wD:15.16,(27.63,5.75,;28.4,4.41,;29.94,4.41,;30.71,3.08,;29.93,1.75,;30.7,.41,;32.24,.41,;33.01,1.75,;32.24,3.08,;33.01,-.92,;32.24,-2.25,;33,-3.58,;34.55,-3.58,;35.32,-2.24,;34.54,-.91,;27.63,3.08,;26.09,3.08,;25.31,1.75,;26.09,.42,;27.63,.42,;28.39,1.75,;27.01,-.84,;26.09,-2.09,;26.57,-3.56,;24.62,-1.61,;23.29,-2.39,;21.95,-1.61,;21.95,-.07,;23.28,.7,;24.62,-.06,)|
BDBM50301645 Fc1ccccc1-c1cnc(NC(=O)[C@H]2CC[C@@]3(CC2)OC(=O)c2ncccc32)nc1 |r,wU:17.21,wD:14.14,(2.35,-6.74,;2.36,-8.28,;3.69,-9.04,;3.7,-10.59,;2.36,-11.36,;1.03,-10.6,;1.03,-9.05,;-.3,-8.29,;-1.64,-9.06,;-2.97,-8.29,;-2.96,-6.75,;-4.29,-5.98,;-5.63,-6.75,;-6.96,-5.98,;-5.63,-8.29,;-6.96,-9.06,;-6.96,-10.6,;-5.63,-11.37,;-4.3,-10.6,;-4.3,-9.06,;-4.71,-12.62,;-5.61,-13.88,;-5.13,-15.34,;-7.09,-13.41,;-8.43,-14.18,;-9.77,-13.41,;-9.76,-11.86,;-8.43,-11.09,;-7.1,-11.85,;-1.64,-5.97,;-.31,-6.74,)|
BDBM50301646 Fc1cccc(c1)-c1cnc(NC(=O)[C@H]2CC[C@@]3(CC2)OC(=O)c2ncccc32)nc1 |r,wU:17.21,wD:14.14,(29.51,-9.71,;28.18,-10.49,;28.18,-12.04,;26.85,-12.81,;25.52,-12.04,;25.52,-10.5,;26.84,-9.73,;24.18,-9.73,;22.85,-10.5,;21.52,-9.73,;21.52,-8.19,;20.19,-7.42,;18.86,-8.19,;17.52,-7.42,;18.86,-9.73,;17.53,-10.51,;17.53,-12.05,;18.86,-12.81,;20.19,-12.05,;20.19,-10.51,;19.78,-14.06,;18.87,-15.32,;19.36,-16.78,;17.39,-14.85,;16.05,-15.62,;14.72,-14.85,;14.72,-13.31,;16.05,-12.54,;17.38,-13.3,;22.85,-7.42,;24.18,-8.18,)|
BDBM50301647 Fc1ccc(cc1)-c1cnc(NC(=O)[C@H]2CC[C@@]3(CC2)OC(=O)c2ncccc32)nc1 |r,wU:17.21,wD:14.14,(5.59,-24.52,;4.26,-23.75,;2.92,-24.52,;1.59,-23.76,;1.59,-22.21,;2.92,-21.44,;4.25,-22.2,;.26,-21.45,;-1.08,-22.22,;-2.41,-21.45,;-2.4,-19.91,;-3.73,-19.14,;-5.07,-19.91,;-6.4,-19.14,;-5.07,-21.45,;-6.4,-22.22,;-6.4,-23.76,;-5.07,-24.53,;-3.74,-23.76,;-3.74,-22.22,;-4.15,-25.78,;-5.05,-27.04,;-4.57,-28.5,;-6.53,-26.57,;-7.87,-27.34,;-9.21,-26.57,;-9.2,-25.02,;-7.87,-24.25,;-6.54,-25.01,;-1.08,-19.13,;.25,-19.9,)|
BDBM50301648 FCOc1ccccc1-c1cnc(NC(=O)[C@H]2CC[C@@]3(CC2)OC(=O)c2ncccc32)nc1 |r,wU:19.23,wD:16.16,(31.28,-20.74,;29.94,-19.97,;28.61,-20.75,;28.62,-22.29,;29.95,-23.05,;29.96,-24.6,;28.62,-25.37,;27.29,-24.6,;27.29,-23.06,;25.96,-22.29,;24.62,-23.06,;23.29,-22.29,;23.3,-20.75,;21.96,-19.98,;20.63,-20.75,;19.3,-19.98,;20.63,-22.29,;19.3,-23.07,;19.3,-24.61,;20.63,-25.37,;21.96,-24.61,;21.96,-23.07,;21.55,-26.62,;20.65,-27.88,;21.13,-29.35,;19.17,-27.41,;17.83,-28.18,;16.49,-27.41,;16.49,-25.87,;17.82,-25.1,;19.16,-25.86,;24.62,-19.98,;25.95,-20.74,)|
BDBM50301649 FCOc1cccc(c1)-c1cnc(NC(=O)[C@H]2CC[C@@]3(CC2)OC(=O)c2ncccc32)nc1 |r,wU:19.23,wD:16.16,(8.86,-35.8,;7.53,-36.58,;6.2,-35.82,;4.87,-36.59,;4.87,-38.14,;3.54,-38.91,;2.21,-38.14,;2.21,-36.6,;3.53,-35.83,;.87,-35.83,;-.46,-36.6,;-1.79,-35.83,;-1.79,-34.3,;-3.12,-33.53,;-4.45,-34.3,;-5.79,-33.53,;-4.45,-35.84,;-5.78,-36.61,;-5.78,-38.15,;-4.45,-38.92,;-3.12,-38.15,;-3.12,-36.61,;-3.53,-40.16,;-4.44,-41.43,;-3.95,-42.89,;-5.92,-40.95,;-7.26,-41.73,;-8.59,-40.95,;-8.59,-39.41,;-7.26,-38.64,;-5.93,-39.4,;-.46,-33.52,;.87,-34.29,)|
BDBM50301650 FCc1cccc(c1)-c1cnc(NC(=O)[C@H]2CC[C@@]3(CC2)OC(=O)c2ncccc32)nc1 |r,wU:18.22,wD:15.15,(31.96,-37.33,;30.62,-36.56,;29.29,-37.34,;29.3,-38.89,;27.96,-39.66,;26.63,-38.89,;26.63,-37.35,;27.95,-36.58,;25.3,-36.58,;23.96,-37.35,;22.63,-36.58,;22.64,-35.04,;21.3,-34.27,;19.97,-35.04,;18.64,-34.27,;19.97,-36.58,;18.64,-37.36,;18.64,-38.9,;19.97,-39.66,;21.3,-38.9,;21.3,-37.36,;20.89,-40.91,;19.98,-42.17,;20.47,-43.63,;18.51,-41.7,;17.17,-42.47,;15.83,-41.7,;15.83,-40.16,;17.16,-39.39,;18.5,-40.15,;23.96,-34.27,;25.29,-35.03,)|
BDBM50301651 O=C(Nc1ncc(cn1)-c1ccccc1)[C@H]1CC[C@@]2(CC1)OC(=O)c1cnccc21 |r,wU:18.23,wD:15.16,(26.14,-22.21,;26.91,-23.55,;28.45,-23.55,;29.28,-24.84,;28.58,-26.21,;29.41,-27.5,;30.95,-27.43,;31.65,-26.05,;30.81,-24.76,;31.79,-28.72,;31.08,-30.09,;31.92,-31.38,;33.46,-31.3,;34.16,-29.92,;33.32,-28.63,;26.13,-24.88,;24.59,-24.88,;23.82,-26.21,;24.59,-27.54,;26.13,-27.54,;26.9,-26.21,;25.51,-28.8,;24.6,-30.05,;25.08,-31.52,;23.13,-29.58,;21.79,-30.35,;20.46,-29.58,;20.46,-28.03,;21.79,-27.26,;23.12,-28.02,)|
BDBM50301652 Fc1cccc(c1)-c1cnc(NC(=O)[C@H]2CC[C@@]3(CC2)OC(=O)c2cnccc32)nc1 |r,wU:17.21,wD:14.14,(4.28,-10.52,;2.95,-11.3,;2.96,-12.85,;1.63,-13.62,;.29,-12.85,;.29,-11.31,;1.62,-10.54,;-1.04,-10.54,;-2.38,-11.31,;-3.71,-10.54,;-3.7,-9,;-5.03,-8.23,;-6.37,-9,;-7.7,-8.23,;-6.37,-10.54,;-7.7,-11.32,;-7.7,-12.86,;-6.37,-13.62,;-5.04,-12.86,;-5.04,-11.32,;-5.45,-14.87,;-6.35,-16.13,;-5.87,-17.59,;-7.83,-15.66,;-9.17,-16.43,;-10.5,-15.66,;-10.5,-14.12,;-9.17,-13.35,;-7.84,-14.11,;-2.38,-8.23,;-1.04,-8.99,)|
BDBM50301653 Fc1ccc(cc1)-c1cnc(NC(=O)[C@H]2CC[C@@]3(CC2)OC(=O)c2cnccc32)nc1 |r,wU:17.21,wD:14.14,(33,-12.26,;31.67,-11.49,;30.33,-12.27,;29,-11.5,;29,-9.96,;30.33,-9.18,;31.66,-9.95,;27.67,-9.19,;26.33,-9.96,;25,-9.19,;25.01,-7.65,;23.68,-6.88,;22.34,-7.65,;21.01,-6.88,;22.34,-9.19,;21.01,-9.97,;21.01,-11.51,;22.34,-12.27,;23.67,-11.51,;23.67,-9.97,;23.26,-13.52,;22.36,-14.78,;22.84,-16.24,;20.88,-14.31,;19.54,-15.08,;18.2,-14.31,;18.21,-12.76,;19.53,-11.99,;20.87,-12.76,;26.33,-6.88,;27.66,-7.64,)|
BDBM50301192 Cc1sc(SCc2cc(cc(NCc3cccc(C)n3)n2)N2CCOCC2)nc1CF
BDBM50301193 CCc1sc(SCc2cc(cc(NCc3cccc(C)n3)n2)N2CCOCC2)nc1CF
BDBM50301654 FCOc1ccccc1-c1cnc(NC(=O)[C@H]2CC[C@@]3(CC2)OC(=O)c2cnccc32)nc1 |r,wU:19.23,wD:16.16,(4.33,-24.22,;2.99,-23.45,;1.66,-24.23,;1.67,-25.77,;3,-26.53,;3.01,-28.08,;1.67,-28.85,;.34,-28.08,;.34,-26.54,;-.99,-25.77,;-2.33,-26.54,;-3.66,-25.77,;-3.65,-24.23,;-4.99,-23.46,;-6.32,-24.23,;-7.65,-23.46,;-6.32,-25.77,;-7.65,-26.55,;-7.65,-28.09,;-6.32,-28.85,;-4.99,-28.09,;-4.99,-26.55,;-5.4,-30.1,;-6.3,-31.36,;-5.82,-32.82,;-7.78,-30.89,;-9.12,-31.66,;-10.46,-30.89,;-10.46,-29.35,;-9.13,-28.57,;-7.79,-29.34,;-2.33,-23.46,;-1,-24.22,)|
BDBM50301655 FCOc1cccc(c1)-c1cnc(NC(=O)[C@H]2CC[C@@]3(CC2)OC(=O)c2cnccc32)nc1 |r,wU:19.23,wD:16.16,(33.32,-25.03,;31.99,-25.81,;30.65,-25.04,;29.32,-25.82,;29.33,-27.37,;27.99,-28.14,;26.66,-27.37,;26.66,-25.83,;27.99,-25.06,;25.33,-25.06,;23.99,-25.83,;22.66,-25.06,;22.67,-23.52,;21.33,-22.75,;20,-23.52,;18.67,-22.75,;20,-25.06,;18.67,-25.84,;18.67,-27.38,;20,-28.14,;21.33,-27.38,;21.33,-25.84,;20.92,-29.39,;20.02,-30.65,;20.5,-32.11,;18.54,-30.18,;17.2,-30.95,;15.86,-30.18,;15.86,-28.64,;17.19,-27.87,;18.53,-28.63,;23.99,-22.75,;25.32,-23.51,)|
BDBM50301656 O=C(Nc1ncc(cn1)-c1ccccc1)[C@H]1CC[C@@]2(CC1)OC(=O)c1ccncc21 |r,wU:18.23,wD:15.16,(28.35,-35.04,;29.11,-36.37,;30.65,-36.38,;31.49,-37.67,;30.78,-39.03,;31.62,-40.33,;33.16,-40.25,;33.86,-38.87,;33.02,-37.58,;34,-41.54,;33.29,-42.91,;34.13,-44.2,;35.67,-44.13,;36.37,-42.75,;35.53,-41.46,;28.34,-37.71,;26.8,-37.71,;26.03,-39.04,;26.8,-40.37,;28.34,-40.37,;29.11,-39.04,;27.72,-41.62,;26.81,-42.88,;27.29,-44.34,;25.33,-42.4,;24,-43.17,;22.67,-42.4,;22.67,-40.86,;24,-40.09,;25.33,-40.85,)|
BDBM50301657 Fc1ccccc1-c1cnc(NC(=O)[C@H]2CC[C@@]3(CC2)OC(=O)c2ccncc32)nc1 |r,wU:17.21,wD:14.14,(26.17,5.24,;26.17,3.7,;27.51,2.93,;27.51,1.39,;26.18,.61,;24.85,1.38,;24.85,2.92,;23.51,3.69,;22.18,2.92,;20.85,3.69,;20.86,5.23,;19.52,6,;18.19,5.23,;16.85,6,;18.19,3.69,;16.86,2.91,;16.86,1.37,;18.19,.61,;19.52,1.37,;19.52,2.91,;19.11,-.64,;18.2,-1.9,;18.69,-3.36,;16.73,-1.43,;15.38,-2.2,;14.05,-1.43,;14.05,.12,;15.38,.89,;16.72,.12,;22.18,6,;23.51,5.24,)|
BDBM50301658 Fc1cccc(c1)-c1cnc(NC(=O)[C@H]2CC[C@@]3(CC2)OC(=O)c2ccncc32)nc1 |r,wU:17.21,wD:14.14,(4.64,-10.09,;3.31,-10.86,;3.32,-12.41,;1.98,-13.18,;.65,-12.42,;.65,-10.87,;1.98,-10.1,;-.68,-10.11,;-2.02,-10.88,;-3.35,-10.11,;-3.34,-8.57,;-4.67,-7.8,;-6.01,-8.57,;-7.34,-7.8,;-6.01,-10.11,;-7.34,-10.88,;-7.34,-12.42,;-6.01,-13.19,;-4.68,-12.42,;-4.68,-10.88,;-5.09,-14.44,;-5.99,-15.7,;-5.51,-17.16,;-7.47,-15.23,;-8.81,-16,;-10.15,-15.23,;-10.14,-13.68,;-8.82,-12.91,;-7.48,-13.67,;-2.02,-7.79,;-.69,-8.56,)|
BDBM50301659 Fc1ccc(cc1)-c1cnc(NC(=O)[C@H]2CC[C@@]3(CC2)OC(=O)c2ccncc32)nc1 |r,wU:17.21,wD:14.14,(28.38,-12.37,;27.05,-11.6,;25.71,-12.37,;24.38,-11.61,;24.38,-10.06,;25.71,-9.29,;27.04,-10.05,;23.05,-9.3,;21.71,-10.07,;20.38,-9.3,;20.39,-7.76,;19.06,-6.99,;17.72,-7.76,;16.39,-6.99,;17.72,-9.3,;16.39,-10.08,;16.39,-11.62,;17.72,-12.38,;19.05,-11.62,;19.05,-10.08,;18.64,-13.63,;17.74,-14.89,;18.22,-16.35,;16.26,-14.42,;14.92,-15.19,;13.58,-14.42,;13.59,-12.87,;14.91,-12.1,;16.25,-12.87,;21.71,-6.99,;23.04,-7.75,)|
BDBM50301660 FCOc1ccccc1-c1cnc(NC(=O)[C@H]2CC[C@@]3(CC2)OC(=O)c2ccncc32)nc1 |r,wU:19.23,wD:16.16,(4.65,-20.86,;3.32,-20.09,;1.99,-20.87,;1.99,-22.41,;3.33,-23.17,;3.33,-24.72,;2,-25.49,;.67,-24.72,;.67,-23.18,;-.67,-22.41,;-2,-23.18,;-3.33,-22.41,;-3.33,-20.87,;-4.66,-20.1,;-5.99,-20.87,;-7.33,-20.1,;-5.99,-22.41,;-7.32,-23.19,;-7.32,-24.73,;-5.99,-25.49,;-4.66,-24.73,;-4.66,-23.19,;-5.07,-26.74,;-5.98,-28,;-5.49,-29.46,;-7.46,-27.53,;-8.8,-28.3,;-10.13,-27.53,;-10.13,-25.99,;-8.8,-25.21,;-7.47,-25.98,;-2,-20.1,;-.67,-20.86,)|
BDBM50301661 FCOc1cccc(c1)-c1cnc(NC(=O)[C@H]2CC[C@@]3(CC2)OC(=O)c2ccncc32)nc1 |r,wU:19.23,wD:16.16,(32.2,-20.58,;30.87,-21.36,;29.53,-20.59,;28.2,-21.37,;28.21,-22.92,;26.87,-23.69,;25.54,-22.92,;25.54,-21.38,;26.87,-20.61,;24.21,-20.61,;22.87,-21.38,;21.54,-20.61,;21.55,-19.07,;20.21,-18.3,;18.88,-19.07,;17.55,-18.3,;18.88,-20.61,;17.55,-21.39,;17.55,-22.93,;18.88,-23.69,;20.21,-22.93,;20.21,-21.39,;19.8,-24.94,;18.9,-26.2,;19.38,-27.67,;17.42,-25.73,;16.08,-26.5,;14.74,-25.73,;14.74,-24.19,;16.07,-23.42,;17.41,-24.18,;22.87,-18.3,;24.2,-19.06,)|
BDBM50301662 FCc1ccccc1-c1cnc(NC(=O)[C@H]2CC[C@@]3(CC2)OC(=O)c2ccncc32)nc1 |r,wU:18.22,wD:15.15,(4.61,-32.36,;3.28,-33.13,;3.28,-34.67,;4.62,-35.43,;4.62,-36.98,;3.29,-37.75,;1.96,-36.99,;1.96,-35.44,;.62,-34.68,;-.71,-35.45,;-2.04,-34.68,;-2.03,-33.14,;-3.37,-32.37,;-4.7,-33.14,;-6.04,-32.37,;-4.7,-34.68,;-6.03,-35.45,;-6.03,-36.99,;-4.7,-37.76,;-3.37,-36.99,;-3.37,-35.45,;-3.78,-39.01,;-4.69,-40.27,;-4.2,-41.73,;-6.16,-39.8,;-7.51,-40.57,;-8.84,-39.8,;-8.84,-38.25,;-7.51,-37.48,;-6.17,-38.24,;-.71,-32.36,;.62,-33.13,)|
BDBM50323463 O=C(C1CCOC1)N1C[C@H]2[C@@H](CNc3nc(cs3)-c3ccccn3)[C@H]2C1 |r|
BDBM50342721 COc1cc(Cl)c(-c2c(C)nn3c(NCCNC4CCOCC4)cc(C)nc23)c(Cl)c1 |(28.08,-21.34,;29.62,-21.32,;30.38,-19.98,;29.6,-18.65,;30.35,-17.31,;29.57,-15.98,;31.89,-17.31,;32.64,-15.97,;31.74,-14.71,;30.2,-14.71,;32.65,-13.46,;34.12,-13.94,;35.45,-13.17,;35.44,-11.63,;36.78,-10.86,;38.11,-11.63,;39.44,-10.86,;40.77,-11.64,;40.76,-13.17,;42.08,-13.95,;43.42,-13.2,;43.43,-11.66,;42.11,-10.87,;36.78,-13.94,;36.79,-15.49,;38.12,-16.26,;35.45,-16.26,;34.12,-15.49,;32.68,-18.62,;34.22,-18.59,;31.93,-19.96,)|
BDBM50343728 CN(C)c1ccc(C=CC=Cc2sc3ccccc3[n+]2CCCC(=O)NCCCCNC(=O)NC(N)=NCCC[C@@H](NC(=O)C(c2ccccc2)c2ccccc2)C(=O)NCc2ccc(O)cc2)cc1 |r,w:8.8,36.38,10.10|
BDBM50343729 Cc1cc(C=Cc2cc3CCCN4CCCc(c2)c34)cc(C)[n+]1CCNC(=O)CCCC(=O)NC(N)=NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1 |r,w:4.3,36.40|
BDBM50353137 CN(C)S(=O)(=O)NC[C@H]1CC[C@@H](CC1)NC(=O)CN1c2ccccc2SC(C)(C)CC1=O |r,wU:11.14,wD:8.7,(10.2,.26,;8.85,1,;8.82,2.54,;7.54,.2,;6.76,-1.12,;8.3,-1.12,;6.19,.94,;4.87,.15,;3.52,.89,;3.49,2.43,;2.13,3.17,;.83,2.36,;.86,.82,;2.2,.09,;-.52,3.1,;-1.84,2.3,;-1.8,.76,;-3.19,3.03,;-4.5,2.23,;-5.69,3.24,;-5.19,4.69,;-6.19,5.86,;-7.71,5.58,;-8.22,4.12,;-7.22,2.94,;-7.94,1.56,;-7.3,.13,;-7.32,-1.4,;-8.65,-.62,;-5.79,-.26,;-4.54,.67,;-3.18,-.04,)|
BDBM50353138 CN(C)S(=O)(=O)NC[C@H]1CC[C@@H](CC1)NC(=O)CN1c2ccccc2SCCC1=O |r,wU:11.14,wD:8.7,(32.54,-1.69,;31.19,-.95,;31.16,.59,;29.87,-1.75,;29.09,-3.07,;30.63,-3.07,;28.52,-1.01,;27.21,-1.81,;25.86,-1.07,;25.82,.48,;24.47,1.22,;23.17,.41,;23.2,-1.13,;24.54,-1.86,;21.81,1.15,;20.5,.35,;20.54,-1.19,;19.15,1.08,;17.83,.28,;16.64,1.29,;17.15,2.74,;16.15,3.91,;14.63,3.62,;14.12,2.17,;15.12,.99,;14.4,-.39,;15.03,-1.82,;16.55,-2.21,;17.79,-1.28,;19.16,-1.99,)|
BDBM50353139 CC1(C)CC(=O)N(CC(=O)N[C@H]2CC[C@H](CNS(C)(=O)=O)CC2)c2ccccc2S1 |r,wU:11.10,wD:14.14,(-6.39,-11.75,;-6.38,-10.22,;-7.72,-10.98,;-4.87,-10.61,;-3.62,-9.68,;-2.25,-10.39,;-3.58,-8.13,;-2.26,-7.32,;-.91,-8.06,;-.87,-9.6,;.4,-7.25,;1.75,-7.99,;3.06,-7.18,;4.41,-7.93,;4.45,-9.47,;5.8,-10.21,;7.11,-9.41,;8.46,-10.15,;9.78,-9.35,;7.68,-11.47,;9.22,-11.47,;3.13,-10.27,;1.78,-9.53,;-4.77,-7.12,;-4.26,-5.66,;-5.26,-4.5,;-6.78,-4.78,;-7.29,-6.23,;-6.29,-7.41,;-7.01,-8.8,)|
BDBM50353140 CCS(=O)(=O)NC[C@H]1CC[C@@H](CC1)NC(=O)CN1c2ccccc2SC(C)(C)CC1=O |r,wU:10.13,wD:7.6,(34.12,-10.51,;32.78,-9.77,;31.46,-10.57,;30.68,-11.89,;32.22,-11.89,;30.11,-9.82,;28.79,-10.62,;27.44,-9.88,;27.41,-8.34,;26.06,-7.6,;24.75,-8.4,;24.78,-9.94,;26.13,-10.68,;23.4,-7.67,;22.09,-8.47,;22.13,-10.01,;20.73,-7.74,;19.42,-8.54,;18.23,-7.53,;18.74,-6.08,;17.74,-4.91,;16.22,-5.19,;15.7,-6.64,;16.71,-7.82,;15.98,-9.21,;16.62,-10.64,;16.61,-12.17,;15.28,-11.39,;18.13,-11.02,;19.38,-10.09,;20.75,-10.8,)|
BDBM50353141 CC1(C)CC(=O)N(CC(=O)N[C@H]2CC[C@H](CNS(=O)(=O)C3CC3)CC2)c2ccccc2S1 |r,wU:11.10,wD:14.14,(-7.58,-23.09,;-7.57,-21.56,;-8.91,-22.31,;-6.06,-21.95,;-4.81,-21.02,;-3.44,-21.73,;-4.77,-19.46,;-3.45,-18.66,;-2.1,-19.39,;-2.06,-20.93,;-.79,-18.59,;.57,-19.32,;1.87,-18.52,;3.22,-19.26,;3.26,-20.8,;4.61,-21.54,;5.93,-20.75,;7.27,-21.49,;6.49,-22.81,;8.03,-22.81,;8.59,-20.69,;10.12,-20.65,;9.33,-19.34,;1.94,-21.6,;.6,-20.86,;-5.96,-18.45,;-5.45,-17,;-6.45,-15.83,;-7.97,-16.11,;-8.49,-17.56,;-7.48,-18.74,;-8.2,-20.13,)|
BDBM50353144 CC(C)S(=O)(=O)NC[C@H]1CC[C@@H](CC1)NC(=O)CN1CCC(C)(C)S(=O)(=O)c2ccccc12 |r,wU:11.14,wD:8.7,(34.12,-30.75,;32.77,-30.01,;32.73,-28.47,;31.45,-30.81,;30.67,-32.13,;32.21,-32.13,;30.1,-30.07,;28.79,-30.87,;27.44,-30.13,;27.4,-28.59,;26.05,-27.84,;24.74,-28.65,;24.77,-30.19,;26.12,-30.92,;23.39,-27.91,;22.08,-28.72,;22.12,-30.25,;20.73,-27.98,;19.41,-28.78,;19.37,-30.34,;18.12,-31.27,;16.61,-30.88,;16.6,-32.41,;15.27,-31.63,;15.98,-29.45,;14.87,-30.54,;14.63,-28.68,;16.7,-28.07,;15.7,-26.89,;16.21,-25.44,;17.73,-25.16,;18.73,-26.32,;18.22,-27.77,)|
BDBM50353145 CC(C)S(=O)(=O)NC[C@H]1CC[C@@H](CC1)NC(=O)CN1C(=O)COc2ccccc12 |r,wU:11.14,wD:8.7,(9.85,-41.33,;8.52,-40.55,;8.52,-39.01,;7.18,-41.32,;6.4,-42.65,;7.94,-42.65,;5.85,-40.55,;4.52,-41.31,;3.18,-40.54,;3.19,-39,;1.85,-38.22,;.52,-39,;.52,-40.54,;1.85,-41.31,;-.81,-38.23,;-2.15,-39,;-2.14,-40.54,;-3.48,-38.24,;-4.81,-39.01,;-4.82,-40.55,;-3.48,-41.32,;-6.15,-41.32,;-7.48,-40.55,;-7.48,-39.02,;-8.82,-38.25,;-8.81,-36.7,;-7.49,-35.93,;-6.15,-36.7,;-6.15,-38.25,)|
BDBM50353148 CC(C)S(=O)(=O)NC[C@H]1CC[C@@H](CC1)NC(=O)CN1C(=O)COc2cc(Cl)ccc12 |r,wU:11.14,wD:8.7,(10,-2.04,;8.67,-1.27,;8.67,.27,;7.34,-2.03,;6.55,-3.36,;8.09,-3.36,;6.01,-1.26,;4.67,-2.02,;3.34,-1.25,;3.34,.29,;2,1.07,;.67,.29,;.67,-1.25,;2,-2.02,;-.66,1.06,;-1.99,.28,;-1.99,-1.26,;-3.33,1.06,;-4.66,.28,;-4.66,-1.26,;-3.33,-2.03,;-6,-2.03,;-7.33,-1.26,;-7.33,.27,;-8.67,1.04,;-8.67,2.59,;-10,3.35,;-7.34,3.36,;-6,2.6,;-5.99,1.05,)|
BDBM50353149 CC(C)S(=O)(=O)NC[C@H]1CC[C@@H](CC1)NC(=O)CN1CCOc2cc(Cl)ccc12 |r,wU:11.14,wD:8.7,(10.92,-9.69,;9.59,-8.92,;9.6,-7.38,;8.26,-9.68,;7.48,-11.01,;9.02,-11.01,;6.93,-8.91,;5.59,-9.67,;4.26,-8.9,;4.26,-7.36,;2.92,-6.58,;1.6,-7.36,;1.59,-8.9,;2.92,-9.67,;.26,-6.59,;-1.07,-7.37,;-1.06,-8.91,;-2.4,-6.59,;-3.74,-7.37,;-3.74,-8.91,;-5.07,-9.68,;-6.4,-8.91,;-6.4,-7.38,;-7.74,-6.61,;-7.74,-5.06,;-9.08,-4.3,;-6.41,-4.3,;-5.08,-5.05,;-5.07,-6.61,)|
BDBM50353152 CC(C)S(=O)(=O)NC[C@H]1CC[C@@H](CC1)NC(=O)CN1CCS(=O)(=O)c2cc(Cl)ccc12 |r,wU:11.14,wD:8.7,(34.58,-17.57,;33.25,-16.8,;33.25,-15.26,;31.92,-17.56,;31.13,-18.89,;32.67,-18.89,;30.58,-16.79,;29.25,-17.56,;27.91,-16.79,;27.92,-15.25,;26.58,-14.47,;25.25,-15.25,;25.25,-16.79,;26.58,-17.55,;23.92,-14.47,;22.59,-15.25,;22.59,-16.79,;21.25,-14.48,;19.92,-15.25,;19.92,-16.8,;18.58,-17.56,;17.25,-16.79,;15.76,-16.38,;16.48,-18.12,;17.25,-15.26,;15.91,-14.49,;15.92,-12.95,;14.58,-12.18,;17.25,-12.18,;18.58,-12.94,;18.59,-14.49,)|
BDBM50353153 CC(C)S(=O)(=O)NC[C@H]1CC[C@@H](CC1)NC(=O)CN1C(=O)CCc2cc(Cl)ccc12 |r,wU:11.14,wD:8.7,(10.7,-24.94,;9.37,-24.17,;9.37,-22.63,;8.04,-24.94,;7.25,-26.26,;8.79,-26.26,;6.71,-24.17,;5.37,-24.93,;4.04,-24.16,;4.04,-22.62,;2.7,-21.84,;1.37,-22.62,;1.37,-24.16,;2.7,-24.92,;.03,-21.85,;-1.29,-22.62,;-1.29,-24.16,;-2.63,-21.85,;-3.96,-22.63,;-3.96,-24.17,;-2.63,-24.94,;-5.3,-24.93,;-6.63,-24.17,;-6.63,-22.64,;-7.97,-21.86,;-7.97,-20.32,;-9.3,-19.55,;-6.64,-19.55,;-5.3,-20.31,;-5.3,-21.86,)|
BDBM50353142 CC(C)S(=O)(=O)NC[C@H]1CC[C@@H](CC1)NC(=O)CN1c2ccccc2SC(C)(C)CC1=O |r,wU:11.14,wD:8.7,(30.6,-20.93,;29.25,-20.19,;29.21,-18.65,;27.93,-20.99,;27.15,-22.31,;28.69,-22.31,;26.58,-20.25,;25.26,-21.05,;23.91,-20.31,;23.88,-18.77,;22.53,-18.02,;21.22,-18.83,;21.25,-20.37,;22.6,-21.1,;19.87,-18.09,;18.56,-18.9,;18.6,-20.44,;17.2,-18.16,;15.89,-18.96,;14.7,-17.95,;15.21,-16.5,;14.21,-15.34,;12.69,-15.62,;12.17,-17.07,;13.18,-18.25,;12.45,-19.63,;13.09,-21.06,;13.08,-22.59,;11.75,-21.82,;14.6,-21.45,;15.85,-20.52,;17.22,-21.23,)|
BDBM50353143 CC(C)S(=O)(=O)NC[C@H]1CC[C@@H](CC1)NC(=O)CN1CCC(C)(C)Sc2ccccc12 |r,wU:11.14,wD:8.7,(11.55,-30.79,;10.2,-30.05,;10.17,-28.51,;8.88,-30.85,;8.1,-32.17,;9.64,-32.17,;7.53,-30.11,;6.22,-30.91,;4.87,-30.17,;4.83,-28.63,;3.48,-27.88,;2.17,-28.69,;2.2,-30.23,;3.55,-30.96,;.82,-27.95,;-.49,-28.76,;-.45,-30.29,;-1.84,-28.02,;-3.16,-28.82,;-3.2,-30.38,;-4.45,-31.31,;-5.96,-30.92,;-5.97,-32.45,;-7.3,-31.67,;-6.59,-29.49,;-5.87,-28.11,;-6.87,-26.93,;-6.36,-25.48,;-4.84,-25.2,;-3.84,-26.36,;-4.35,-27.81,)|
BDBM50353146 CC(C)S(=O)(=O)NC[C@H]1CC[C@@H](CC1)NC(=O)CN1C(=O)COc2ccc(F)cc12 |r,wU:11.14,wD:8.7,(33.95,-41.42,;32.61,-40.65,;32.62,-39.11,;31.28,-41.41,;30.5,-42.74,;32.04,-42.74,;29.95,-40.64,;28.61,-41.41,;27.28,-40.64,;27.28,-39.09,;25.95,-38.32,;24.62,-39.09,;24.62,-40.63,;25.94,-41.4,;23.28,-38.32,;21.95,-39.1,;21.95,-40.64,;20.62,-38.33,;19.28,-39.1,;19.28,-40.64,;20.61,-41.41,;17.95,-41.41,;16.62,-40.64,;16.62,-39.11,;15.28,-38.34,;15.28,-36.8,;16.61,-36.03,;16.6,-34.49,;17.94,-36.79,;17.95,-38.34,)|
BDBM50353147 CC(C)S(=O)(=O)NC[C@H]1CC[C@@H](CC1)NC(=O)CN1C(=O)COc2cc(F)ccc12 |r,wU:11.14,wD:8.7,(10.22,-.38,;8.88,.4,;8.89,1.94,;7.55,-.37,;6.77,-1.7,;8.31,-1.7,;6.22,.4,;4.88,-.36,;3.55,.41,;3.55,1.95,;2.22,2.73,;.89,1.95,;.89,.41,;2.21,-.36,;-.45,2.72,;-1.78,1.95,;-1.78,.41,;-3.11,2.71,;-4.45,1.94,;-4.45,.4,;-3.12,-.37,;-5.78,-.37,;-7.11,.4,;-7.11,1.93,;-8.45,2.7,;-8.45,4.25,;-9.78,5.02,;-7.12,5.02,;-5.79,4.25,;-5.78,2.7,)|
BDBM50353150 CC(C)S(=O)(=O)NC[C@H]1CC[C@@H](CC1)NC(=O)CN1C(=O)CSc2cc(Cl)ccc12 |r,wU:11.14,wD:8.7,(33.09,-9.17,;31.76,-8.4,;31.76,-6.86,;30.43,-9.16,;29.65,-10.49,;31.19,-10.49,;29.1,-8.39,;27.76,-9.16,;26.43,-8.39,;26.43,-6.84,;25.09,-6.06,;23.76,-6.84,;23.76,-8.38,;25.09,-9.15,;22.43,-6.07,;21.1,-6.85,;21.1,-8.39,;19.77,-6.08,;18.43,-6.85,;18.43,-8.39,;19.76,-9.16,;17.09,-9.16,;15.76,-8.39,;15.76,-6.86,;14.42,-6.09,;14.43,-4.54,;13.09,-3.78,;15.76,-3.78,;17.09,-4.54,;17.1,-6.09,)|
BDBM50353151 CC(C)S(=O)(=O)NC[C@H]1CC[C@@H](CC1)NC(=O)CN1CCSc2cc(Cl)ccc12 |r,wU:11.14,wD:8.7,(10.22,-17.24,;8.89,-16.47,;8.89,-14.93,;7.56,-17.23,;6.77,-18.56,;8.31,-18.56,;6.22,-16.46,;4.89,-17.23,;3.56,-16.46,;3.56,-14.92,;2.22,-14.14,;.89,-14.92,;.89,-16.46,;2.22,-17.22,;-.45,-14.14,;-1.77,-14.92,;-1.77,-16.46,;-3.11,-14.15,;-4.44,-14.92,;-4.44,-16.47,;-5.78,-17.23,;-7.11,-16.46,;-7.11,-14.93,;-8.45,-14.16,;-8.45,-12.62,;-9.78,-11.85,;-7.12,-11.85,;-5.78,-12.61,;-5.77,-14.16,)|
BDBM50353154 CC(C)S(=O)(=O)NC[C@H]1CC[C@@H](CC1)NC(=O)CN1CCCc2cc(Cl)ccc12 |r,wU:11.14,wD:8.7,(32.58,-25.11,;31.25,-24.34,;31.25,-22.8,;29.92,-25.11,;29.13,-26.43,;30.67,-26.43,;28.59,-24.34,;27.25,-25.1,;25.92,-24.33,;25.92,-22.79,;24.58,-22.01,;23.25,-22.79,;23.25,-24.33,;24.58,-25.09,;21.92,-22.02,;20.59,-22.79,;20.59,-24.33,;19.25,-22.02,;17.92,-22.8,;17.92,-24.34,;16.58,-25.1,;15.25,-24.33,;15.25,-22.8,;13.91,-22.03,;13.91,-20.49,;12.58,-19.72,;15.24,-19.72,;16.58,-20.48,;16.59,-22.03,)|
BDBM50353155 CC(C)S(=O)(=O)NC[C@H]1CC[C@@H](CC1)NCCN1CCOc2ccc(F)cc12 |r,wU:8.7,wD:11.14,(9.66,-34.35,;8.32,-33.57,;8.33,-32.03,;6.99,-34.34,;6.21,-35.67,;7.75,-35.67,;5.65,-33.56,;4.32,-34.34,;2.98,-33.56,;1.65,-34.33,;.32,-33.56,;.33,-32.02,;1.65,-31.24,;2.98,-32.02,;-1.01,-31.25,;-2.34,-32.02,;-3.68,-31.26,;-5.01,-32.02,;-5.02,-33.57,;-6.35,-34.34,;-7.68,-33.56,;-7.68,-32.03,;-9.01,-31.27,;-9.01,-29.72,;-7.69,-28.95,;-7.69,-27.41,;-6.35,-29.72,;-6.35,-31.27,)|
BDBM50353156 CC(C)S(=O)(=O)NC[C@H]1CC[C@@H](CC1)NCCN1CCOc2cc(F)c(F)cc12 |r,wU:8.7,wD:11.14,(32.07,-34.92,;30.74,-34.14,;30.74,-32.6,;29.4,-34.91,;28.62,-36.23,;30.16,-36.23,;28.08,-34.13,;26.74,-34.9,;25.41,-34.13,;24.07,-34.89,;22.74,-34.12,;22.75,-32.59,;24.07,-31.81,;25.41,-32.59,;21.41,-31.82,;20.08,-32.59,;18.74,-31.83,;17.42,-32.59,;17.42,-34.13,;16.08,-34.91,;14.75,-34.13,;14.75,-32.6,;13.41,-31.84,;13.42,-30.29,;12.08,-29.52,;14.74,-29.52,;14.74,-27.98,;16.08,-30.29,;16.09,-31.84,)|
BDBM50353157 COc1ccc2N(CCN[C@H]3CC[C@H](CNS(=O)(=O)C(C)C)CC3)CCOc2c1 |r,wU:13.13,wD:10.9,(-9.34,-36.38,;-9.34,-37.92,;-8.01,-38.7,;-6.68,-37.92,;-5.34,-38.69,;-5.34,-40.24,;-4,-41,;-2.67,-40.23,;-1.34,-40.99,;-.01,-40.22,;1.32,-40.99,;1.32,-42.53,;2.65,-43.3,;3.99,-42.53,;5.32,-43.31,;6.65,-42.53,;7.98,-43.31,;7.2,-44.64,;8.74,-44.64,;9.31,-42.54,;10.64,-43.32,;9.32,-41,;3.99,-40.99,;2.65,-40.22,;-4.01,-42.54,;-5.34,-43.31,;-6.67,-42.53,;-6.67,-41,;-8.01,-40.24,)|
BDBM50353158 CC(C)S(=O)(=O)NC[C@H]1CC[C@@H](CC1)NCCN1CCOc2ccc(Cl)cc12 |r,wU:8.7,wD:11.14,(32.62,-44.4,;31.29,-43.63,;31.29,-42.08,;29.95,-44.4,;29.17,-45.72,;30.71,-45.72,;28.62,-43.62,;27.28,-44.39,;25.95,-43.61,;24.62,-44.38,;23.29,-43.61,;23.29,-42.07,;24.62,-41.3,;25.95,-42.07,;21.95,-41.31,;20.62,-42.07,;19.28,-41.31,;17.95,-42.08,;17.95,-43.62,;16.61,-44.39,;15.28,-43.62,;15.28,-42.09,;13.95,-41.32,;13.95,-39.78,;15.28,-39,;15.27,-37.46,;16.61,-39.77,;16.62,-41.32,)|
BDBM50353159 CC(C)S(=O)(=O)NC[C@H]1CC[C@@H](CC1)NCCN1CCOc2cc(Cl)ccc12 |r,wU:8.7,wD:11.14,(10.45,-.43,;9.12,.34,;9.12,1.88,;7.78,-.43,;7,-1.75,;8.54,-1.75,;6.45,.35,;5.11,-.42,;3.78,.35,;2.45,-.41,;1.12,.36,;1.12,1.9,;2.45,2.67,;3.78,1.9,;-.21,2.66,;-1.55,1.89,;-2.88,2.66,;-4.21,1.89,;-4.22,.35,;-5.55,-.42,;-6.88,.35,;-6.88,1.88,;-8.22,2.65,;-8.22,4.19,;-9.55,4.96,;-6.89,4.96,;-5.55,4.2,;-5.55,2.65,)|
BDBM50353162 CC(C)S(=O)(=O)NC[C@H]1CC[C@@H](CC1)NCCN1CCCc2cc(Cl)ccc12 |r,wU:8.7,wD:11.14,(32.86,-9.09,;31.53,-8.32,;31.54,-6.78,;30.2,-9.08,;29.42,-10.41,;30.96,-10.41,;28.87,-8.31,;27.53,-9.08,;26.2,-8.3,;24.86,-9.07,;23.53,-8.3,;23.54,-6.76,;24.86,-5.98,;26.2,-6.76,;22.2,-5.99,;20.87,-6.76,;19.53,-6,;18.2,-6.77,;18.2,-8.31,;16.87,-9.08,;15.54,-8.31,;15.54,-6.78,;14.2,-6.01,;14.2,-4.46,;12.87,-3.69,;15.53,-3.69,;16.86,-4.46,;16.87,-6.01,)|
BDBM50353160 CC(C)S(=O)(=O)NC[C@H]1CC[C@@H](CC1)NCCN1CCOc2cc(ccc12)C(F)(F)F |r,wU:8.7,wD:11.14,(32.37,-.82,;31.04,-.05,;31.04,1.49,;29.7,-.81,;28.92,-2.14,;30.46,-2.14,;28.37,-.04,;27.03,-.81,;25.7,-.04,;24.36,-.8,;23.04,-.03,;23.04,1.51,;24.37,2.28,;25.7,1.51,;21.7,2.28,;20.37,1.5,;19.04,2.27,;17.7,1.5,;17.7,-.04,;16.37,-.81,;15.04,-.04,;15.04,1.49,;13.7,2.26,;13.7,3.8,;15.03,4.57,;16.37,3.81,;16.37,2.26,;12.37,4.57,;12.37,6.11,;11.03,3.8,;11.03,5.34,)|
BDBM50353161 CC(C)S(=O)(=O)NC[C@H]1CC[C@@H](CC1)NCCN1CCSc2cc(Cl)ccc12 |r,wU:8.7,wD:11.14,(10.64,-8.81,;9.31,-8.04,;9.32,-6.5,;7.98,-8.8,;7.19,-10.13,;8.73,-10.13,;6.64,-8.03,;5.31,-8.8,;3.98,-8.02,;2.64,-8.79,;1.31,-8.02,;1.32,-6.48,;2.64,-5.7,;3.98,-6.48,;-.02,-5.71,;-1.35,-6.48,;-2.69,-5.72,;-4.02,-6.49,;-4.02,-8.03,;-5.35,-8.8,;-6.68,-8.03,;-6.68,-6.5,;-8.02,-5.73,;-8.02,-4.18,;-9.36,-3.41,;-6.69,-3.41,;-5.36,-4.18,;-5.35,-5.73,)|
BDBM50346210 C[C@@H]1NC(=N[C@@]1(c1ccc(F)cc1)c1ccc(F)nc1)c1cc[nH]c(=O)c1 |r,c:3|
BDBM50346211 C[C@@H]1NC(=N[C@@]1(c1ccc(F)cc1)c1ccc(F)nc1)c1ccc(C)c(=O)[nH]1 |r,c:3|
BDBM50346212 C[C@@H]1NC(=N[C@@]1(c1ccc(F)cc1)c1ccc(F)nc1)c1cc(C)cc(=O)[nH]1 |r,c:3|
BDBM50346213 C[C@@H]1NC(=N[C@@]1(c1ccc(F)cc1)c1ccc(F)nc1)c1[nH]c(=O)ccc1C |r,c:3|
BDBM50346214 C[C@@H]1NC(=N[C@@]1(c1ccc(F)cc1)c1ccc(F)nc1)c1ccc(F)c(=O)[nH]1 |r,c:3|
BDBM50346215 C[C@@H]1NC(=N[C@@]1(c1ccc(F)cc1)c1ccc(F)nc1)c1ccc(Cl)c(=O)[nH]1 |r,c:3|
BDBM50346216 C[C@@H]1NC(=N[C@@]1(c1ccc(F)cc1)c1ccc(F)nc1)c1cccc(=O)n1C |r,c:3|
BDBM50346217 C[C@@H]1NC(=N[C@@]1(c1ccc(F)cc1)c1ccc(F)nc1)c1c[nH]c(=O)c(C)c1 |r,c:3|
BDBM50346218 C[C@@H]1NC(=N[C@@]1(c1ccc(F)cc1)c1ccc(F)nc1)c1c[nH]c(=O)cc1C |r,c:3|
BDBM50346219 C[C@@H]1NC(=N[C@@]1(c1ccc(F)cc1)c1ccc(F)nc1)c1ccc(=O)[nH]c1F |r,c:3|
BDBM50346220 C[C@@H]1NC(=N[C@@]1(c1ccc(F)cc1)c1ccc(F)nc1)c1c[nH]c(=O)c(F)c1 |r,c:3|
BDBM50346221 C[C@@H]1NC(=N[C@@]1(c1ccc(F)cc1)c1ccc(F)nc1)c1c[nH]c(=O)c(Cl)c1 |r,c:3|
BDBM50346222 C[C@@H]1NC(=N[C@@]1(c1ccc(F)cc1)c1ccc(F)nc1)c1c[nH]c(=O)c(c1)C(F)(F)F |r,c:3|
BDBM50346223 COc1cc(c[nH]c1=O)C1=N[C@@]([C@H](C)N1)(c1ccc(F)cc1)c1ccc(F)nc1 |r,t:10|
BDBM50346224 C[C@@H]1NC(=N[C@@]1(c1ccc(F)cc1)c1ccc(F)nc1)c1ccc(=O)n(C)c1 |r,c:3|
BDBM50346225 CCn1cc(ccc1=O)C1=N[C@@]([C@H](C)N1)(c1ccc(F)cc1)c1ccc(F)nc1 |r,t:10|
BDBM50346226 CCCn1cc(ccc1=O)C1=N[C@@]([C@H](C)N1)(c1ccc(F)cc1)c1ccc(F)nc1 |r,t:11|
BDBM50346227 CC(C)n1cc(ccc1=O)C1=N[C@@]([C@H](C)N1)(c1ccc(F)cc1)c1ccc(F)nc1 |r,t:11|
BDBM50346228 C[C@@H]1NC(=N[C@@]1(c1ccc(F)cc1)c1ccc(F)nc1)c1ccc(=O)n(c1)C(F)F |r,c:3|
BDBM50346229 COn1cc(ccc1=O)C1=N[C@@]([C@H](C)N1)(c1ccc(F)cc1)c1ccc(F)nc1 |r,t:10|
BDBM50346230 CCOn1cc(ccc1=O)C1=N[C@@]([C@H](C)N1)(c1ccc(F)cc1)c1ccc(F)nc1 |r,t:11|
BDBM50346231 CCn1cc(cc(C)c1=O)C1=N[C@@]([C@H](C)N1)(c1ccc(F)cc1)c1ccc(F)nc1 |r,t:11|
BDBM50346232 C[C@@H]1NC(=N[C@@]1(c1ccc(F)cc1)c1ccc(F)nc1)c1cc(C)c(=O)n(c1)C(F)F |r,c:3|
BDBM50346233 C[C@@H]1NC(=N[C@@]1(c1ccc(F)cc1)c1ccc(F)nc1)c1ccc(=O)[nH]c1 |r,c:3|
BDBM50346234 C[C@@H]1NC(=N[C@@]1(c1ccc(F)cc1)c1ccc(F)nc1)c1ccc[nH]c1=O |r,c:3|
BDBM50354063 CS(=O)(=O)NC[C@H]1CC[C@@H](CC1)Nc1nc-2c(CCOc3ccccc-23)s1 |r,wU:6.5,wD:9.12,(55.11,-10.15,;53.77,-10.92,;53,-12.26,;54.54,-12.26,;52.43,-10.14,;51.09,-10.91,;49.75,-10.14,;48.42,-10.91,;47.08,-10.13,;47.07,-8.59,;48.42,-7.82,;49.76,-8.6,;45.74,-7.8,;44.39,-8.55,;43.03,-7.93,;42.02,-9.03,;42.76,-10.34,;42.14,-11.82,;40.63,-12.21,;39.41,-11.27,;39.38,-9.67,;37.99,-9.15,;37.74,-7.69,;38.89,-6.73,;40.29,-7.25,;40.53,-8.72,;44.23,-10.04,)|
BDBM50354064 Fc1ccc2CCCc3sc(NCCCCNS(=O)(=O)CC(F)(F)F)nc3-c2c1
BDBM50354065 CS(=O)(=O)N[C@H]1CC[C@@H](CC1)Nc1nc-2c(CCCc3ccc(F)cc-23)s1 |r,wU:5.4,wD:8.11,(26.46,-46.27,;25.36,-45.19,;26.16,-43.86,;24.61,-43.83,;24.14,-46.14,;22.8,-45.35,;21.45,-46.11,;20.12,-45.32,;20.14,-43.78,;21.48,-43.01,;22.81,-43.8,;18.81,-42.99,;17.47,-43.75,;16.1,-43.13,;15.08,-44.24,;15.82,-45.55,;15.2,-47.03,;13.69,-47.42,;12.48,-46.48,;12.44,-44.87,;11.05,-44.36,;10.8,-42.89,;11.95,-41.93,;11.69,-40.41,;13.35,-42.46,;13.59,-43.93,;17.3,-45.25,)|
BDBM50354066 CCS(=O)(=O)NCCCCCNc1nc-2c(CCSc3ccccc-23)s1
BDBM50354067 CS(=O)(=O)NCCCCCNc1nc-2c(CCSc3ccccc-23)s1
BDBM50354068 CCS(=O)(=O)NCCCCCNc1nc-2c(CCCc3ccc(F)cc-23)s1
BDBM50354069 CC(C)S(=O)(=O)NCCCCCNc1nc-2c(CCCc3ccc(F)cc-23)s1
BDBM50354070 CS(=O)(=O)NCCCCCNc1nc-2c(CCCc3ccc(F)cc-23)s1
BDBM50354071 CCS(=O)(=O)NC[C@H]1CC[C@@H](CC1)Nc1nc-2c(CCSc3ccccc-23)s1 |r,wU:7.6,wD:10.13,(6.6,-30,;5.27,-29.21,;5.29,-27.67,;6.84,-27.69,;6.08,-26.34,;3.97,-26.88,;3.99,-25.34,;2.66,-24.55,;1.31,-25.3,;-.01,-24.52,;.01,-22.97,;1.35,-22.21,;2.68,-23,;-1.32,-22.19,;-2.66,-22.95,;-4.03,-22.33,;-5.04,-23.43,;-4.3,-24.74,;-4.92,-26.21,;-6.42,-26.6,;-7.64,-25.66,;-7.67,-24.07,;-9.06,-23.55,;-9.31,-22.09,;-8.16,-21.14,;-6.77,-21.66,;-6.52,-23.12,;-2.83,-24.44,)|
BDBM50354072 CS(=O)(=O)NC[C@H]1CC[C@@H](CC1)Nc1nc-2c(CCSc3ccccc-23)s1 |r,wU:6.5,wD:9.12,(30.35,-14.16,;30.37,-12.61,;31.92,-12.63,;31.16,-11.28,;29.04,-11.82,;29.06,-10.28,;27.73,-9.49,;26.38,-10.24,;25.06,-9.46,;25.08,-7.91,;26.42,-7.14,;27.75,-7.94,;23.75,-7.13,;22.4,-7.89,;21.04,-7.26,;20.02,-8.37,;20.76,-9.68,;20.14,-11.16,;18.63,-11.54,;17.42,-10.61,;17.38,-9,;15.99,-8.49,;15.74,-7.02,;16.89,-6.07,;18.29,-6.59,;18.53,-8.06,;22.23,-9.38,)|
BDBM50354073 O=S(=O)(NC[C@H]1CC[C@@H](CC1)Nc1nc-2c(CCSc3ccccc-23)s1)c1cccs1 |r,wU:5.4,wD:8.11,(42.05,-18.71,;40.51,-18.69,;41.3,-17.37,;39.18,-17.9,;39.2,-16.36,;37.88,-15.57,;36.53,-16.33,;35.21,-15.54,;35.23,-14,;36.57,-13.24,;37.9,-14.03,;33.9,-13.22,;32.56,-13.98,;31.2,-13.36,;30.19,-14.46,;30.93,-15.76,;30.31,-17.24,;28.81,-17.62,;27.6,-16.69,;27.56,-15.09,;26.18,-14.58,;25.93,-13.12,;27.07,-12.17,;28.47,-12.69,;28.71,-14.15,;32.39,-15.46,;40.49,-20.23,;41.73,-21.16,;41.24,-22.62,;39.69,-22.6,;39.24,-21.12,)|
BDBM50354074 Cn1cnc(c1)S(=O)(=O)NC[C@H]1CC[C@@H](CC1)Nc1nc-2c(CCSc3ccccc-23)s1 |r,wU:11.11,wD:14.18,(18.91,-20.53,;19.83,-19.3,;21.38,-19.32,;21.87,-17.85,;20.63,-16.93,;19.38,-17.82,;20.65,-15.38,;22.19,-15.4,;21.44,-14.06,;19.32,-14.59,;19.34,-13.05,;18.02,-12.26,;16.67,-13.02,;15.34,-12.23,;15.37,-10.69,;16.7,-9.92,;18.03,-10.72,;14.04,-9.9,;12.69,-10.66,;11.33,-10.04,;10.32,-11.15,;11.05,-12.45,;10.43,-13.93,;8.93,-14.32,;7.72,-13.38,;7.68,-11.78,;6.29,-11.26,;6.04,-9.8,;7.19,-8.85,;8.59,-9.37,;8.83,-10.84,;12.52,-12.15,)|
BDBM50354075 O=S(=O)(NC[C@H]1CC[C@@H](CC1)Nc1nc-2c(CCSc3ccccc-23)s1)c1cccc2ccccc12 |r,wU:5.4,wD:8.11,(6.06,-16.55,;4.52,-16.53,;5.31,-15.2,;3.19,-15.74,;3.21,-14.19,;1.88,-13.4,;.53,-14.15,;-.79,-13.37,;-.77,-11.83,;.57,-11.06,;1.9,-11.85,;-2.1,-11.04,;-3.45,-11.8,;-4.81,-11.18,;-5.82,-12.29,;-5.08,-13.59,;-5.7,-15.07,;-7.21,-15.46,;-8.42,-14.52,;-8.46,-12.92,;-9.85,-12.4,;-10.1,-10.94,;-8.95,-9.99,;-7.55,-10.51,;-7.31,-11.97,;-3.62,-13.29,;4.5,-18.07,;5.82,-18.85,;5.81,-20.39,;4.46,-21.16,;3.13,-20.36,;1.79,-21.11,;.47,-20.34,;.49,-18.79,;1.83,-18.04,;3.15,-18.82,)|
BDBM50354076 COc1ccc(C)cc1S(=O)(=O)NC[C@H]1CC[C@@H](CC1)Nc1nc-2c(CCSc3ccccc-23)s1 |r,wU:14.14,wD:17.21,(38.95,-3.6,;37.61,-2.84,;36.28,-3.62,;36.3,-5.16,;34.96,-5.95,;33.62,-5.18,;32.29,-5.96,;33.61,-3.64,;34.95,-2.87,;34.94,-1.33,;36.48,-1.32,;35.7,.01,;33.6,-.57,;33.59,.98,;32.25,1.74,;30.92,.96,;29.58,1.72,;29.58,3.26,;30.9,4.05,;32.24,3.28,;28.23,4.02,;26.91,3.24,;25.54,3.83,;24.55,2.71,;25.3,1.43,;24.71,-.06,;23.22,-.47,;21.99,.44,;21.93,2.03,;20.53,2.52,;20.26,3.98,;21.39,4.95,;22.79,4.45,;23.06,3,;26.76,1.75,)|
BDBM50354077 CS(=O)(=O)NC[C@H]1CC[C@@H](CC1)Nc1nc-2c(CCCc3ccc(F)cc-23)s1 |r,wU:6.5,wD:9.12,(32.91,-10.2,;31.56,-10.97,;30.79,-12.31,;32.33,-12.32,;30.22,-10.2,;28.88,-10.97,;27.54,-10.19,;26.21,-10.96,;24.87,-10.19,;24.87,-8.64,;26.21,-7.88,;27.55,-8.65,;23.53,-7.86,;22.18,-8.61,;20.82,-7.98,;19.81,-9.09,;20.55,-10.39,;19.93,-11.88,;18.42,-12.26,;17.2,-11.32,;17.17,-9.72,;15.78,-9.21,;15.53,-7.74,;16.68,-6.78,;16.42,-5.26,;18.08,-7.31,;18.32,-8.78,;22.02,-10.09,)|
BDBM50354078 CS(=O)(=O)NCCCCCNc1nc-2c(CCSc3ccc(F)cc-23)s1
BDBM50354079 COc1cccc2-c3nc(N[C@H]4CC[C@H](CNS(C)(=O)=O)CC4)sc3CCOc12 |r,wU:14.14,wD:11.10,(19.34,4.17,;20.79,3.64,;21.98,4.62,;21.73,6.09,;22.88,7.04,;24.28,6.52,;24.53,5.05,;26.01,4.74,;27.03,5.85,;28.38,5.22,;29.74,5.97,;31.07,5.19,;31.08,3.64,;32.42,2.86,;33.75,3.64,;35.09,2.86,;36.43,3.63,;37.77,2.85,;39.11,3.63,;36.99,1.52,;38.54,1.51,;33.76,5.18,;32.42,5.95,;28.22,3.73,;26.75,3.44,;26.13,1.95,;24.63,1.57,;23.41,2.5,;23.37,4.11,)|
BDBM50354080 COc1ccc2-c3nc(NC[C@H]4CC[C@@H](CC4)NS(C)(=O)=O)sc3CCOc2c1 |r,wU:11.10,wD:14.17,(14,4.11,;14.26,2.58,;15.71,2.05,;16.87,3,;18.26,2.48,;18.51,1.01,;20,.7,;21.01,1.81,;22.36,1.18,;23.72,1.93,;23.74,3.48,;25.1,4.23,;25.13,5.78,;26.49,6.53,;27.8,5.73,;27.78,4.19,;26.43,3.44,;29.16,6.48,;30.48,5.69,;31.84,6.44,;29.69,4.36,;31.24,4.33,;22.21,-.31,;20.74,-.61,;20.11,-2.09,;18.61,-2.48,;17.39,-1.54,;17.36,.06,;15.96,.58,)|
BDBM50354081 CC(C)S(=O)(=O)NCCOCCNc1nc-2c(CCCc3ccc(F)cc-23)s1
BDBM50354082 Fc1ccc2CCCc3sc(NCCCCCNS(=O)(=O)CC(F)(F)F)nc3-c2c1
BDBM50354083 Nc1nc(NC[C@H]2CC[C@H](CNS(=O)(=O)c3ccc4ccccc4c3)CC2)nc2ccccc12 |r,wU:9.9,wD:6.5,(22.1,-1.37,;22.11,-2.91,;23.44,-3.67,;23.45,-5.22,;24.79,-5.98,;26.12,-5.21,;27.46,-5.97,;27.46,-7.51,;28.79,-8.28,;30.12,-7.51,;31.45,-8.29,;32.79,-7.52,;34.12,-8.29,;33.35,-9.62,;34.89,-9.63,;35.45,-7.52,;35.45,-5.99,;36.78,-5.22,;38.12,-5.99,;39.45,-5.22,;40.78,-5.99,;40.78,-7.53,;39.45,-8.3,;38.12,-7.53,;36.79,-8.3,;30.12,-5.97,;28.79,-5.2,;22.12,-5.99,;20.78,-5.22,;19.45,-6,;18.11,-5.23,;18.11,-3.69,;19.44,-2.92,;20.78,-3.68,)|
BDBM50355823 CS(=O)(=O)NCCCCCNc1nc(cs1)-c1ccccn1
BDBM50355824 CS(=O)(=O)NCCCCCNc1nc(cs1)-c1cccs1
BDBM50355825 CS(=O)(=O)NCCCCCNc1nc(cs1)-c1ccsc1
BDBM50355826 Cc1nc(C)c(s1)-c1csc(NCCCCCNS(C)(=O)=O)n1
BDBM50355827 CS(=O)(=O)NCCCCCNc1nc(cs1)-c1nccs1
BDBM50355828 Cc1c(sc2ccc(Cl)cc12)-c1csc(NCCCCCNS(C)(=O)=O)n1
BDBM50355829 CS(=O)(=O)NCCCCCNc1nc(cs1)-c1ccn(c1)S(=O)(=O)c1ccccc1
BDBM50355830 FC(F)(F)S(=O)(=O)NCCCCCNc1nc(cs1)-c1ccccn1
BDBM50355831 CCS(=O)(=O)NCCCCCNc1nc(cs1)-c1ccccn1
BDBM50355832 CC(C)S(=O)(=O)NCCCCCNc1nc(cs1)-c1ccccn1
BDBM50355833 O=S(=O)(NCCCCCNc1nc(cs1)-c1ccccn1)C1CC1
BDBM50355834 CCC(C)S(=O)(=O)NCCCCCNc1nc(cs1)-c1ccccn1
BDBM50355835 O=S(=O)(CC1CCCC1)NCCCCCNc1nc(cs1)-c1ccccn1
BDBM50355836 O=S(=O)(NCCCCCNc1nc(cs1)-c1ccccn1)C1CCCCC1
BDBM50355837 O=S(=O)(NCCCCCNc1nc(cs1)-c1ccccn1)C1CCNCC1
BDBM50355838 O=C(OCc1ccccc1)N1CCC(CC1)S(=O)(=O)NCCCCCNc1nc(cs1)-c1ccccn1
BDBM50355839 Fc1ccccc1S(=O)(=O)NCCCCCNc1nc(cs1)-c1ccccn1
BDBM50355840 COc1ccc(C)cc1S(=O)(=O)NCCCCCNc1nc(cs1)-c1ccccn1
BDBM50355841 O=S(=O)(NCCCCCNc1nc(cs1)-c1ccccn1)c1cccs1
BDBM50355842 Cn1cnc(c1)S(=O)(=O)NCCCCCNc1nc(cs1)-c1ccccn1
BDBM50355843 Cc1nn(C)c(C)c1S(=O)(=O)NCCCCCNc1nc(cs1)-c1ccccn1
BDBM50355844 Cc1nc(C)c(s1)S(=O)(=O)NCCCCCNc1nc(cs1)-c1ccccn1
BDBM50355845 CC(C)S(=O)(=O)NCCCCCNc1nc(cs1)-c1cccnc1
BDBM50355846 CC(C)S(=O)(=O)NCCCCCNc1nc(cs1)-c1nccnc1C
BDBM50355847 CC(C)S(=O)(=O)NCCCCCNc1nc(cs1)-c1ccsc1
BDBM50355848 CC(C)S(=O)(=O)NCCCCCNc1nc(cs1)-c1sc(C)nc1C
BDBM50355849 CC(C)S(=O)(=O)NCCCCCNc1nc-2c(CCSc3ccccc-23)s1
BDBM50355850 CC(C)S(=O)(=O)NCCOCCNc1nc(cs1)-c1ccccn1
BDBM50355851 CC(C)S(=O)(=O)N1CCN(CCNc2nc(cs2)-c2ccccn2)CC1
BDBM50355852 CN(C)S(=O)(=O)NCCCCCNc1nc(cs1)-c1ccccn1
BDBM50355853 NS(=O)(=O)NCCCCCNc1nc(cs1)-c1ccccn1
BDBM50355854 CCN(CC)S(=O)(=O)NCCCCCNc1nc(cs1)-c1ccccn1
BDBM50355855 O=S(=O)(NCCCCCNc1nc(cs1)-c1ccccn1)N1CCOCC1
BDBM50355856 CC1CN(CC(C)O1)S(=O)(=O)NCCCCCNc1nc(cs1)-c1ccccn1
BDBM50355857 CN1CCN(CC1)S(=O)(=O)NCCCCCNc1nc(cs1)-c1ccccn1
BDBM50355858 COCCN(CCOC)S(=O)(=O)NCCCCCNc1nc(cs1)-c1ccccn1
BDBM50355859 Cc1noc(C)c1S(=O)(=O)NCCCCCNc1nc(cs1)-c1ccccn1
BDBM50373621 CN(C1CCN(CC1)S(C)(=O)=O)C(=O)Nc1ccc(cc1)-c1cc(F)cc(F)c1
BDBM50373622 CCCC(=O)N1CCC(CC1)N(C)C(=O)N[C@H]1CC[C@@H](CC1)c1cc(F)cc(F)c1 |wU:16.16,wD:19.23,(12.07,-14.83,;12.08,-13.29,;13.41,-12.52,;13.42,-10.98,;14.76,-10.22,;12.09,-10.21,;10.75,-10.97,;9.43,-10.2,;9.44,-8.67,;10.76,-7.89,;12.09,-8.67,;8.11,-7.9,;8.11,-6.36,;6.77,-8.67,;6.77,-10.21,;5.44,-7.9,;4.11,-8.67,;4.11,-10.21,;2.77,-10.97,;1.44,-10.2,;1.44,-8.66,;2.77,-7.89,;.1,-10.96,;-1.23,-10.18,;-2.57,-10.95,;-3.9,-10.17,;-2.57,-12.49,;-1.23,-13.26,;-1.23,-14.8,;.1,-12.49,)|
BDBM50373623 CCS(=O)(=O)N1CCC(CC1)N(C)C(=O)N[C@H]1CC[C@@H](CC1)c1cc(F)cc(F)c1 |wU:16.16,wD:19.23,(10.08,-2.96,;10.08,-1.42,;8.75,-.65,;7.98,-1.98,;9.53,.68,;7.42,.12,;6.08,-.64,;4.76,.13,;4.77,1.66,;6.09,2.44,;7.42,1.67,;3.43,2.43,;3.43,3.97,;2.1,1.66,;2.1,.12,;.77,2.43,;-.57,1.66,;-.56,.13,;-1.9,-.64,;-3.24,.13,;-3.23,1.68,;-1.9,2.44,;-4.57,-.63,;-5.91,.15,;-7.24,-.61,;-8.57,.16,;-7.25,-2.16,;-5.91,-2.93,;-5.91,-4.47,;-4.58,-2.16,)|
BDBM50373624 CN(C1CCN(CC1)S(C)(=O)=O)C(=O)N[C@H]1CC[C@@H](CC1)c1cc(F)cc(F)c1 |wU:15.15,wD:18.22,(28.66,-44.4,;28.66,-45.94,;29.99,-46.71,;29.98,-48.24,;31.3,-49.01,;32.64,-48.25,;32.65,-46.7,;31.31,-45.93,;33.97,-49.02,;35.3,-49.79,;33.2,-50.35,;34.75,-47.69,;27.32,-46.71,;27.32,-48.25,;25.99,-45.94,;24.66,-46.71,;24.66,-48.24,;23.32,-49.01,;21.99,-48.24,;21.99,-46.69,;23.32,-45.93,;20.65,-49,;19.32,-48.22,;17.98,-48.98,;16.65,-48.21,;17.98,-50.53,;19.32,-51.3,;19.32,-52.84,;20.65,-50.53,)|
BDBM50373625 CCC(=O)N1CCC(CC1)N(C)C(=O)N[C@H]1CC[C@@H](CC1)c1cc(F)cc(F)c1 |wU:15.15,wD:18.22,(36.07,-39.93,;34.73,-39.16,;33.4,-39.92,;33.39,-41.46,;32.07,-39.15,;30.73,-39.91,;29.4,-39.14,;29.42,-37.61,;30.74,-36.83,;32.07,-37.6,;28.08,-36.84,;28.08,-35.3,;26.75,-37.61,;26.75,-39.15,;25.41,-36.84,;24.08,-37.61,;24.08,-39.14,;22.74,-39.91,;21.41,-39.14,;21.42,-37.59,;22.75,-36.83,;20.07,-39.9,;20.07,-41.43,;18.74,-42.2,;18.74,-43.74,;17.4,-41.43,;17.41,-39.88,;16.08,-39.11,;18.74,-39.12,)|
BDBM50373626 CN(C1CCN(CC1)C(C)=O)C(=O)N[C@H]1CC[C@@H](CC1)c1cc(F)cc(F)c1 |wU:14.14,wD:17.21,(3.32,-35.53,;3.32,-37.07,;4.66,-37.84,;4.65,-39.37,;5.97,-40.14,;7.31,-39.38,;7.31,-37.84,;5.98,-37.06,;8.64,-40.15,;9.98,-39.39,;8.64,-41.69,;1.99,-37.84,;1.99,-39.38,;.66,-37.07,;-.68,-37.84,;-.67,-39.38,;-2.01,-40.14,;-3.35,-39.37,;-3.34,-37.83,;-2.01,-37.06,;-4.68,-40.13,;-4.69,-41.67,;-6.02,-42.43,;-6.02,-43.97,;-7.36,-41.66,;-7.35,-40.12,;-8.68,-39.34,;-6.01,-39.35,)|
BDBM50373627 CN(C1CCN(CC1)S(C)(=O)=O)C(=O)N[C@H]1CC[C@@H](CC1)c1ccccc1 |wU:15.15,wD:18.22,(28.29,-27.24,;28.29,-28.78,;29.63,-29.55,;29.61,-31.08,;30.94,-31.85,;32.28,-31.09,;32.28,-29.55,;30.95,-28.77,;33.61,-31.86,;34.94,-32.63,;32.84,-33.2,;34.39,-30.53,;26.96,-29.55,;26.96,-31.09,;25.62,-28.78,;24.29,-29.55,;24.29,-31.08,;22.95,-31.85,;21.62,-31.08,;21.63,-29.54,;22.96,-28.77,;20.28,-31.84,;18.95,-31.06,;17.62,-31.83,;17.61,-33.37,;18.95,-34.14,;20.28,-33.38,)|
BDBM50373628 CN(C1CCN(CC1)S(C)(=O)=O)C(=O)N[C@H]1CC[C@H](CC1)c1ccccc1 |wU:18.22,15.15,(27.96,-17.16,;27.96,-18.7,;29.3,-19.47,;29.29,-21,;30.61,-21.77,;31.95,-21.01,;31.95,-19.47,;30.62,-18.69,;33.28,-21.78,;34.61,-22.55,;32.51,-23.12,;34.06,-20.45,;26.63,-19.47,;26.63,-21.01,;25.3,-18.7,;23.96,-19.47,;23.97,-21,;22.63,-21.77,;21.29,-21,;21.3,-19.46,;22.63,-18.69,;19.96,-21.76,;18.63,-20.98,;17.29,-21.75,;17.28,-23.29,;18.62,-24.06,;19.95,-23.3,)|
BDBM50373629 CN(C1CCN(CC1)C(C)=O)C(=O)N[C@H]1CC[C@H](CC1)c1ccccc1 |wU:17.21,14.14,(3.53,-16.71,;3.53,-18.25,;4.87,-19.02,;4.86,-20.55,;6.18,-21.32,;7.52,-20.56,;7.52,-19.01,;6.19,-18.24,;8.85,-21.33,;10.19,-20.57,;8.85,-22.87,;2.2,-19.02,;2.2,-20.56,;.87,-18.25,;-.47,-19.02,;-.46,-20.55,;-1.8,-21.32,;-3.14,-20.55,;-3.13,-19.01,;-1.8,-18.24,;-4.47,-21.31,;-5.8,-20.53,;-7.14,-21.3,;-7.15,-22.84,;-5.81,-23.61,;-4.48,-22.84,)|
BDBM50373630 CN(C1CCN(CC1)S(C)(=O)=O)C(=O)NC1CCN(CC1)c1ccc(F)c(Cl)c1
BDBM50373631 CN(C1CCN(CC1)S(C)(=O)=O)C(=O)NC1CCN(CC1)c1ccc(F)c(F)c1
BDBM50373632 CN(C1CCN(CC1)S(C)(=O)=O)C(=O)NC1CCN(CC1)c1ccc(Cl)c(Cl)c1
BDBM50373633 CN(C1CCN(CC1)S(C)(=O)=O)C(=O)NC1CCN(CC1)c1ccc(Cl)cc1
BDBM50373634 CN(C1CCN(CC1)S(C)(=O)=O)C(=O)NC1CCN(CC1)c1ccc(F)cc1
BDBM50373635 COc1cccc(c1)N1CCC(CC1)NC(=O)N(C)C1CCN(CC1)S(C)(=O)=O
BDBM50373636 CN(C1CCN(CC1)S(C)(=O)=O)C(=O)NC1CCN(CC1)c1cccc(c1)C#N
BDBM50373637 CN(C1CCN(CC1)S(C)(=O)=O)C(=O)NC1CCN(CC1)c1cccc(C)c1
BDBM50373638 CN(C1CCN(CC1)C(C)=O)C(=O)N[C@H]1CC[C@@H](CC1)c1ccccc1 |wU:14.14,wD:17.21,(3.82,-27.35,;3.82,-28.89,;5.16,-29.66,;5.14,-31.2,;6.47,-31.97,;7.81,-31.2,;7.81,-29.66,;6.48,-28.88,;9.14,-31.98,;10.48,-31.21,;9.13,-33.52,;2.49,-29.66,;2.49,-31.2,;1.16,-28.89,;-.18,-29.66,;-.17,-31.2,;-1.52,-31.97,;-2.85,-31.19,;-2.84,-29.65,;-1.51,-28.89,;-4.19,-31.96,;-5.52,-31.18,;-6.85,-31.94,;-6.86,-33.49,;-5.52,-34.26,;-4.19,-33.49,)|
BDBM50373639 CN(C1CCN(CC1)S(C)(=O)=O)C(=O)NC1CCN(CC1)c1cc(Cl)cc(Cl)c1
BDBM50373640 CN(C1CCN(CC1)S(C)(=O)=O)C(=O)NC1CCN(CC1)c1ccc(Br)cc1
BDBM50373641 CN(C1CCN(CC1)S(C)(=O)=O)C(=O)NC1CCN(CC1)c1cccc(c1)C(C)=O
BDBM50373642 CN(C1CCN(CC1)S(C)(=O)=O)C(=O)NC1CCN(CC1)c1cccc(Br)c1
BDBM50373643 CN(C1CCN(CC1)S(C)(=O)=O)C(=O)NC1CCN(CC1)c1cccc(Cl)c1
BDBM50373644 CN(C1CCN(CC1)S(C)(=O)=O)C(=O)NC1CCN(CC1)c1cccc(F)c1
BDBM50373645 CN(C1CCN(CC1)S(C)(=O)=O)C(=O)NC1CCN(CC1)c1ccccc1F
BDBM50373646 CN(C1CCN(CC1)S(C)(=O)=O)C(=O)NC1CCN(CC1)c1ccccc1C
BDBM50373647 CN(C1CCN(CC1)S(C)(=O)=O)C(=O)NC1CCN(CC1)c1cccnc1
BDBM50373648 CN(C1CCN(CC1)S(C)(=O)=O)C(=O)NC1CCN(CC1)c1ccccc1
BDBM50373649 CC(C)C(=O)N1CCC(CC1)N(C)C(=O)NC1CCN(CC1)c1cc(F)cc(F)c1
BDBM50373650 CCCC(=O)N1CCC(CC1)N(C)C(=O)NC1CCN(CC1)c1cc(F)cc(F)c1
BDBM50373651 CCC(=O)N1CCC(CC1)N(C)C(=O)NC1CCN(CC1)c1cc(F)cc(F)c1
BDBM50373652 CN(C1CCN(CC1)C(C)=O)C(=O)NC1CCN(CC1)c1cc(F)cc(F)c1
BDBM50373653 CC(C)S(=O)(=O)N1CCC(CC1)N(C)C(=O)NC1CCN(CC1)c1cc(F)cc(F)c1
BDBM50373654 CCCS(=O)(=O)N1CCC(CC1)N(C)C(=O)NC1CCN(CC1)c1cc(F)cc(F)c1
BDBM50373655 CCS(=O)(=O)N1CCC(CC1)N(C)C(=O)NC1CCN(CC1)c1cc(F)cc(F)c1
BDBM50373656 CN(C1CCN(CC1)S(C)(=O)=O)C(=O)NC1CCN(CC1)c1cc(F)cc(F)c1
BDBM50366676 O=S(=O)(NC[C@H]1CC[C@H](CNC2=NC3CCc4ccccc4C3C2)CC1)c1ccccc1 |wU:8.8,wD:5.4,t:11,(12.68,-2.78,;11.35,-3.55,;10.02,-4.33,;10.58,-2.22,;9.03,-2.21,;8.26,-.87,;9.03,.46,;8.26,1.8,;6.73,1.8,;5.95,3.13,;4.42,3.13,;3.65,1.8,;4.26,.39,;3.12,-.64,;3.12,-2.21,;1.78,-2.98,;.44,-2.2,;-.89,-2.98,;-2.22,-2.21,;-2.22,-.65,;-.89,.12,;.45,-.65,;1.78,.13,;2.1,1.64,;5.95,.46,;6.72,-.87,;12.11,-4.89,;13.63,-4.89,;14.39,-6.2,;13.62,-7.54,;12.09,-7.54,;11.32,-6.2,)|
BDBM50379591 CC(C)S(=O)(=O)NC[C@H]1CC[C@@H](CC1)NC(=O)CCN1CCc2ccccc12 |r,wU:8.7,wD:11.14,(33.54,-33.77,;32.21,-33,;32.21,-31.46,;30.87,-33.76,;31.64,-35.09,;30.1,-35.08,;29.54,-32.99,;28.21,-33.76,;26.87,-32.99,;25.54,-33.75,;24.21,-32.99,;24.21,-31.45,;25.54,-30.67,;26.87,-31.45,;22.88,-30.68,;21.55,-31.46,;21.55,-33,;20.21,-30.69,;18.88,-31.46,;17.54,-30.69,;16.18,-31.4,;15.07,-30.32,;15.76,-28.95,;15.19,-27.53,;16.14,-26.32,;17.67,-26.54,;18.23,-27.97,;17.28,-29.17,)|
BDBM50379592 CC(C)S(=O)(=O)NC[C@H]1CC[C@@H](CC1)NC(=O)CN1CCc2c1ccc(F)c2F |r,wU:8.7,wD:11.14,(33.84,-25.97,;32.5,-25.2,;32.51,-23.66,;31.17,-25.96,;31.93,-27.29,;30.4,-27.29,;29.84,-25.2,;28.5,-25.97,;27.17,-25.19,;25.84,-25.96,;24.51,-25.19,;24.51,-23.65,;25.84,-22.88,;27.17,-23.65,;23.17,-22.89,;21.84,-23.66,;21.85,-25.2,;20.51,-22.9,;19.17,-23.67,;19.01,-25.2,;17.51,-25.52,;16.73,-24.19,;17.76,-23.05,;17.29,-21.59,;15.78,-21.27,;14.75,-22.42,;13.24,-22.11,;15.23,-23.88,;14.21,-25.03,)|
BDBM50379593 CC(C)S(=O)(=O)NC[C@H]1CC[C@@H](CC1)NC(=O)CN1CCc2cc(F)ccc12 |r,wU:8.7,wD:11.14,(10.26,-24.27,;8.93,-23.5,;8.93,-21.96,;7.59,-24.26,;8.35,-25.59,;6.82,-25.58,;6.26,-23.49,;4.92,-24.26,;3.59,-23.49,;2.26,-24.25,;.93,-23.49,;.93,-21.95,;2.26,-21.17,;3.59,-21.95,;-.4,-21.18,;-1.73,-21.96,;-1.73,-23.5,;-3.07,-21.19,;-4.4,-21.96,;-4.56,-23.49,;-6.07,-23.82,;-6.84,-22.49,;-8.34,-22.17,;-8.82,-20.72,;-10.33,-20.4,;-7.79,-19.56,;-6.29,-19.88,;-5.81,-21.34,)|
BDBM50379594 CC(C)S(=O)(=O)NC[C@H]1CC[C@@H](CC1)NC(=O)CN1CCc2cc(C)ccc12 |r,wU:8.7,wD:11.14,(34.39,-20.24,;33.06,-19.47,;33.06,-17.93,;31.73,-20.23,;32.49,-21.56,;30.95,-21.56,;30.39,-19.46,;29.06,-20.23,;27.73,-19.46,;26.4,-20.22,;25.07,-19.46,;25.07,-17.92,;26.4,-17.14,;27.73,-17.92,;23.73,-17.15,;22.4,-17.93,;22.4,-19.47,;21.06,-17.16,;19.73,-17.94,;19.57,-19.46,;18.06,-19.79,;17.29,-18.46,;15.79,-18.14,;15.31,-16.69,;13.8,-16.37,;16.34,-15.53,;17.85,-15.85,;18.32,-17.31,)|
BDBM50379595 CC(C)S(=O)(=O)NC[C@H]1CC[C@@H](CC1)NC(=O)CN1CCc2cc(Cl)ccc12 |r,wU:8.7,wD:11.14,(11.13,-18.2,;9.8,-17.43,;9.8,-15.89,;8.46,-18.19,;9.22,-19.52,;7.69,-19.52,;7.13,-17.43,;5.8,-18.19,;4.46,-17.42,;3.13,-18.19,;1.8,-17.42,;1.8,-15.88,;3.13,-15.1,;4.46,-15.88,;.47,-15.12,;-.86,-15.89,;-.86,-17.43,;-2.2,-15.12,;-3.53,-15.9,;-3.69,-17.43,;-5.2,-17.75,;-5.97,-16.42,;-7.47,-16.11,;-7.95,-14.65,;-9.46,-14.34,;-6.92,-13.5,;-5.42,-13.82,;-4.94,-15.28,)|
BDBM50379596 CC(C)S(=O)(=O)NC[C@H]1CC[C@@H](CC1)NC(=O)Cn1c2ccccc2oc1=O |r,wU:8.7,wD:11.14,(32.14,-13.65,;30.81,-12.88,;30.81,-11.34,;29.47,-13.64,;30.23,-14.97,;28.7,-14.97,;28.14,-12.88,;26.81,-13.65,;25.47,-12.87,;24.14,-13.64,;22.81,-12.87,;22.81,-11.33,;24.14,-10.56,;25.47,-11.33,;21.48,-10.57,;20.15,-11.34,;20.15,-12.88,;18.81,-10.57,;17.48,-11.35,;16.07,-10.73,;15.59,-9.27,;14.09,-8.95,;13.06,-10.1,;13.54,-11.56,;15.04,-11.87,;15.81,-13.2,;17.32,-12.88,;18.46,-13.91,)|
BDBM50379597 CC(C)S(=O)(=O)NC[C@H]1CC[C@@H](CC1)NC(=O)Cn1c2ccc(Cl)cc2sc1=O |r,wU:8.7,wD:11.14,(10.44,-12.14,;9.11,-11.36,;9.11,-9.82,;7.77,-12.13,;8.53,-13.46,;7,-13.45,;6.44,-11.36,;5.1,-12.13,;3.77,-11.36,;2.44,-12.12,;1.11,-11.36,;1.11,-9.82,;2.44,-9.04,;3.77,-9.82,;-.22,-9.05,;-1.56,-9.82,;-1.55,-11.36,;-2.89,-9.06,;-4.22,-9.83,;-5.63,-9.21,;-6.11,-7.75,;-7.62,-7.43,;-8.65,-8.58,;-10.15,-8.27,;-8.16,-10.04,;-6.67,-10.35,;-5.89,-11.69,;-4.39,-11.36,;-3.24,-12.39,)|
BDBM50379598 CC(C)S(=O)(=O)NC[C@H]1CC[C@@H](CC1)NC(=O)CN1CC(C)(C)c2cc(Cl)ccc12 |r,wU:8.7,wD:11.14,(11.66,-30.81,;10.33,-30.04,;10.33,-28.5,;8.99,-30.8,;9.75,-32.13,;8.22,-32.13,;7.66,-30.03,;6.32,-30.8,;4.99,-30.03,;3.66,-30.79,;2.33,-30.03,;2.33,-28.49,;3.66,-27.71,;4.99,-28.49,;1,-27.72,;-.33,-28.5,;-.33,-30.04,;-1.67,-27.73,;-3,-28.51,;-3.16,-30.03,;-4.67,-30.36,;-4.28,-31.84,;-5.76,-31.44,;-5.44,-29.03,;-6.94,-28.71,;-7.42,-27.26,;-8.93,-26.94,;-6.39,-26.1,;-4.89,-26.42,;-4.41,-27.88,)|
BDBM50379599 CC(C)S(=O)(=O)NC[C@H]1CC[C@@H](CC1)NC(=O)Cn1c(C)cc2ccccc12 |r,wU:8.7,wD:11.14,(12.22,-14.2,;10.89,-13.42,;10.89,-11.88,;9.55,-14.19,;10.31,-15.52,;8.78,-15.51,;8.22,-13.42,;6.88,-14.19,;5.55,-13.42,;4.22,-14.18,;2.89,-13.42,;2.89,-11.88,;4.22,-11.1,;5.55,-11.88,;1.56,-11.11,;.23,-11.88,;.23,-13.42,;-1.11,-11.12,;-2.44,-11.89,;-2.6,-13.42,;-1.46,-14.45,;-4.11,-13.74,;-4.88,-12.41,;-6.38,-12.1,;-6.86,-10.64,;-5.83,-9.49,;-4.33,-9.81,;-3.85,-11.27,)|
BDBM50379600 CC(C)S(=O)(=O)NC[C@H]1CC[C@@H](CC1)NC(=O)Cc1c[nH]c2ccccc12 |r,wU:8.7,wD:11.14,(12.75,-21.34,;11.42,-20.56,;11.42,-19.02,;10.08,-21.33,;10.84,-22.66,;9.31,-22.65,;8.75,-20.56,;7.41,-21.33,;6.08,-20.56,;4.75,-21.32,;3.42,-20.56,;3.42,-19.02,;4.75,-18.24,;6.08,-19.02,;2.09,-18.25,;.75,-19.02,;.76,-20.56,;-.58,-18.26,;-1.91,-19.03,;-2.08,-20.56,;-3.59,-20.88,;-4.36,-19.55,;-5.85,-19.24,;-6.33,-17.78,;-5.31,-16.63,;-3.8,-16.95,;-3.32,-18.41,)|
BDBM50379601 CC(C)S(=O)(=O)NC[C@H]1CC[C@@H](CC1)NC(=O)Cc1cn(C)c2ccccc12 |r,wU:8.7,wD:11.14,(35.85,-22.75,;34.52,-21.98,;34.52,-20.44,;33.18,-22.74,;33.95,-24.07,;32.41,-24.07,;31.85,-21.98,;30.52,-22.75,;29.18,-21.97,;27.85,-22.74,;26.52,-21.97,;26.52,-20.43,;27.85,-19.66,;29.18,-20.43,;25.19,-19.67,;23.86,-20.44,;23.86,-21.98,;22.52,-19.68,;21.19,-20.45,;21.03,-21.98,;19.52,-22.3,;18.89,-23.71,;18.75,-20.97,;17.25,-20.66,;16.77,-19.2,;17.8,-18.05,;19.3,-18.37,;19.78,-19.83,)|
BDBM50379602 CC(C)S(=O)(=O)NC[C@H]1CC[C@@H](CC1)NC(=O)Cn1ccc2cc(ccc12)C#N |r,wU:8.7,wD:11.14,(38.41,-9.77,;37.07,-8.99,;37.07,-7.45,;35.74,-9.76,;36.5,-11.09,;34.97,-11.08,;34.4,-8.99,;33.07,-9.76,;31.74,-8.99,;30.41,-9.75,;29.08,-8.99,;29.08,-7.45,;30.41,-6.67,;31.74,-7.45,;27.74,-6.68,;26.41,-7.45,;26.41,-8.99,;25.07,-6.69,;23.74,-7.46,;23.58,-8.99,;22.07,-9.31,;21.3,-7.98,;19.8,-7.67,;19.32,-6.21,;20.35,-5.06,;21.85,-5.38,;22.33,-6.84,;17.81,-5.9,;16.3,-5.59,)|
BDBM50379603 CC(C)S(=O)(=O)NC[C@H]1CC[C@@H](CC1)NC(=O)Cn1ccc2cc(F)c(F)cc12 |r,wU:8.7,wD:11.14,(11.86,-7.35,;10.53,-6.58,;10.53,-5.04,;9.19,-7.34,;9.96,-8.67,;8.42,-8.67,;7.86,-6.58,;6.53,-7.34,;5.19,-6.57,;3.87,-7.34,;2.54,-6.57,;2.54,-5.03,;3.87,-4.25,;5.19,-5.03,;1.2,-4.27,;-.13,-5.04,;-.13,-6.58,;-1.47,-4.27,;-2.8,-5.05,;-2.96,-6.58,;-4.47,-6.9,;-5.24,-5.57,;-6.74,-5.26,;-7.22,-3.8,;-8.73,-3.49,;-6.19,-2.65,;-6.67,-1.18,;-4.69,-2.97,;-4.21,-4.43,)|
BDBM50379604 CC(C)S(=O)(=O)NC[C@H]1CC[C@@H](CC1)NC(=O)Cn1ccc2ccc(F)cc12 |r,wU:8.7,wD:11.14,(36.74,-.05,;35.41,.72,;35.41,2.26,;34.07,-.04,;34.83,-1.37,;33.3,-1.36,;32.74,.73,;31.4,-.04,;30.07,.73,;28.74,-.03,;27.41,.73,;27.41,2.27,;28.74,3.05,;30.07,2.27,;26.08,3.04,;24.74,2.26,;24.75,.72,;23.41,3.03,;22.08,2.26,;21.91,.73,;20.4,.4,;19.63,1.73,;18.13,2.05,;17.65,3.5,;18.68,4.66,;18.2,6.12,;20.19,4.34,;20.66,2.88,)|
BDBM50379605 CC(C)S(=O)(=O)NC[C@H]1CC[C@@H](CC1)NC(=O)Cn1ccc2cc(F)ccc12 |r,wU:8.7,wD:11.14,(12.82,1.29,;11.49,2.06,;11.49,3.6,;10.15,1.3,;10.91,-.03,;9.38,-.03,;8.82,2.07,;7.48,1.3,;6.15,2.07,;4.82,1.31,;3.49,2.07,;3.49,3.61,;4.82,4.39,;6.15,3.61,;2.16,4.38,;.82,3.6,;.83,2.06,;-.51,4.37,;-1.84,3.59,;-2.01,2.06,;-3.52,1.74,;-4.29,3.07,;-5.78,3.39,;-6.27,4.84,;-7.77,5.16,;-5.24,5.99,;-3.73,5.68,;-3.25,4.21,)|
BDBM50379606 CC(C)S(=O)(=O)NC[C@H]1CC[C@@H](CC1)NC(=O)Cn1ccc2cccc(Cl)c12 |r,wU:8.7,wD:11.14,(11.12,-50.13,;9.79,-49.36,;9.79,-47.82,;8.45,-50.12,;9.22,-51.45,;7.68,-51.45,;7.12,-49.35,;5.79,-50.12,;4.45,-49.35,;3.13,-50.11,;1.8,-49.35,;1.8,-47.81,;3.13,-47.03,;4.45,-47.81,;.46,-47.04,;-.87,-47.82,;-.87,-49.36,;-2.21,-47.05,;-3.54,-47.83,;-3.7,-49.35,;-5.21,-49.68,;-5.98,-48.35,;-7.48,-48.03,;-7.96,-46.58,;-6.93,-45.42,;-5.43,-45.74,;-4.4,-44.6,;-4.95,-47.2,)|
BDBM50379607 CC(C)S(=O)(=O)NC[C@H]1CC[C@@H](CC1)NC(=O)Cn1ccc2ccc(Cl)cc12 |r,wU:8.7,wD:11.14,(34.5,-46.23,;33.16,-45.46,;33.17,-43.92,;31.83,-46.22,;32.59,-47.55,;31.06,-47.54,;30.5,-45.45,;29.16,-46.22,;27.83,-45.45,;26.5,-46.21,;25.17,-45.45,;25.17,-43.91,;26.5,-43.13,;27.83,-43.91,;23.84,-43.14,;22.5,-43.92,;22.51,-45.46,;21.17,-43.15,;19.84,-43.93,;19.67,-45.45,;18.16,-45.78,;17.39,-44.45,;15.89,-44.13,;15.41,-42.68,;16.44,-41.52,;15.96,-40.06,;17.95,-41.84,;18.42,-43.3,)|
BDBM50379608 CC(C)S(=O)(=O)NC[C@H]1CC[C@@H](CC1)NC(=O)Cn1ccc2cc(Cl)ccc12 |r,wU:8.7,wD:11.14,(12.87,-43.9,;11.53,-43.13,;11.53,-41.59,;10.2,-43.89,;10.96,-45.22,;9.43,-45.22,;8.86,-43.13,;7.53,-43.9,;6.2,-43.12,;4.87,-43.89,;3.54,-43.12,;3.54,-41.58,;4.87,-40.8,;6.2,-41.58,;2.2,-40.82,;.87,-41.59,;.88,-43.13,;-.46,-40.82,;-1.8,-41.6,;-1.96,-43.13,;-3.47,-43.45,;-4.24,-42.12,;-5.74,-41.81,;-6.22,-40.35,;-7.73,-40.04,;-5.19,-39.2,;-3.68,-39.52,;-3.21,-40.98,)|
BDBM50379609 CC(C)S(=O)(=O)NC[C@H]1CC[C@@H](CC1)NC(=O)Cn1ccc2c(Cl)cccc12 |r,wU:8.7,wD:11.14,(32.57,-39.12,;31.23,-38.34,;31.24,-36.8,;29.9,-39.11,;30.66,-40.44,;29.13,-40.43,;28.57,-38.34,;27.23,-39.11,;25.9,-38.34,;24.57,-39.1,;23.24,-38.34,;23.24,-36.8,;24.57,-36.02,;25.9,-36.8,;21.9,-36.03,;20.57,-36.8,;20.58,-38.34,;19.24,-36.04,;17.91,-36.81,;17.74,-38.34,;16.23,-38.66,;15.46,-37.33,;13.96,-37.02,;12.94,-38.17,;13.48,-35.56,;14.51,-34.41,;16.02,-34.73,;16.49,-36.19,)|
BDBM50379610 CC(C)S(=O)(=O)NC[C@H]1CC[C@@H](CC1)NC(=O)Cn1ccc2ccccc12 |r,wU:8.7,wD:11.14,(10.13,-37.49,;8.79,-36.71,;8.8,-35.17,;7.46,-37.48,;8.22,-38.81,;6.69,-38.8,;6.13,-36.71,;4.79,-37.48,;3.46,-36.71,;2.13,-37.47,;.8,-36.71,;.8,-35.17,;2.13,-34.39,;3.46,-35.17,;-.53,-34.4,;-1.87,-35.17,;-1.86,-36.71,;-3.2,-34.41,;-4.53,-35.18,;-4.7,-36.71,;-6.21,-37.03,;-6.98,-35.7,;-8.48,-35.39,;-8.96,-33.93,;-7.93,-32.78,;-6.42,-33.1,;-5.95,-34.56,)|
BDBM50380913 CN([C@H]1CC[C@]2(CC1)OC(=O)c1ccccc21)C(=O)Nc1ccn(n1)-c1ccccc1F |r,wU:2.1,5.8,(21.96,-24.15,;21.92,-25.7,;20.56,-26.43,;20.55,-27.97,;19.23,-28.74,;17.89,-27.96,;17.89,-26.43,;19.23,-25.66,;18.05,-29.5,;16.65,-30.12,;16.32,-31.63,;15.62,-28.98,;14.08,-28.97,;13.32,-27.65,;14.08,-26.32,;15.62,-26.31,;16.39,-27.64,;23.23,-26.5,;23.3,-28.04,;24.56,-25.72,;25.85,-26.57,;27.3,-26.02,;28.27,-27.22,;27.42,-28.51,;25.93,-28.1,;28.17,-29.86,;27.38,-31.18,;28.13,-32.53,;29.67,-32.55,;30.46,-31.21,;29.71,-29.87,;30.49,-28.55,)|
BDBM50380914 CC(C)(C)S(=O)(=O)N[C@H]1CC[C@@H](CC1)C(=O)Nc1ccc(cn1)C(F)(F)F |r,wU:8.7,wD:11.14,(16.68,6.49,;16.68,4.95,;15.35,4.18,;15.34,5.72,;18.02,4.19,;19.1,5.29,;19.5,3.8,;18.02,2.65,;19.36,1.88,;20.69,2.66,;22.02,1.88,;22.02,.34,;20.69,-.42,;19.36,.34,;23.35,-.43,;23.35,-1.97,;24.68,.34,;26.02,-.43,;26.01,-1.97,;27.34,-2.74,;28.68,-1.97,;28.67,-.43,;27.34,.34,;30.01,-2.74,;30.01,-4.28,;31.34,-1.97,;31.34,-3.51,)|
BDBM50380915 CN([C@H]1CC[C@]2(CC1)OC(=O)c1ccncc21)C(=O)Nc1ccn(n1)-c1ccccc1F |r,wU:2.1,5.8,(-.8,-22.44,;-.84,-23.98,;-2.2,-24.72,;-2.2,-26.26,;-3.53,-27.02,;-4.86,-26.25,;-4.87,-24.71,;-3.53,-23.95,;-4.7,-27.78,;-6.11,-28.41,;-6.44,-29.92,;-7.14,-27.26,;-8.67,-27.26,;-9.44,-25.93,;-8.68,-24.6,;-7.14,-24.6,;-6.37,-25.93,;.47,-24.79,;.54,-26.33,;1.8,-24,;3.09,-24.85,;4.54,-24.3,;5.51,-25.51,;4.66,-26.8,;3.17,-26.39,;5.41,-28.14,;4.62,-29.46,;5.37,-30.81,;6.92,-30.83,;7.71,-29.5,;6.95,-28.16,;7.74,-26.83,)|
BDBM50380916 CN([C@H]1CC[C@@]2(CC1)OC(=O)c1ccccc21)C(=O)Nc1ccn(n1)-c1ccccc1F |r,wU:5.8,wD:2.1,(.28,-35.19,;.24,-36.74,;-1.11,-37.47,;-2.45,-36.7,;-3.79,-37.47,;-3.78,-39.01,;-2.45,-39.78,;-1.12,-39.01,;-3.62,-40.54,;-5.03,-41.16,;-5.35,-42.67,;-6.06,-40.02,;-7.59,-40.01,;-8.36,-38.69,;-7.6,-37.36,;-6.05,-37.35,;-5.28,-38.69,;1.56,-37.54,;1.62,-39.08,;2.89,-36.76,;4.18,-37.61,;5.63,-37.06,;6.59,-38.26,;5.74,-39.55,;4.25,-39.14,;6.5,-40.9,;5.7,-42.22,;6.45,-43.57,;8,-43.59,;8.79,-42.26,;8.03,-40.91,;8.82,-39.59,)|
BDBM50380917 Fc1ccccc1-n1ccc(NC(=O)NC2CCC3(CC2)OC(=O)c2ccncc32)n1 |(30.07,-39.3,;29.29,-40.63,;30.04,-41.97,;29.25,-43.3,;27.71,-43.28,;26.96,-41.94,;27.75,-40.61,;27,-39.27,;27.84,-37.98,;26.88,-36.77,;25.43,-37.32,;24.14,-36.47,;22.81,-37.26,;22.88,-38.8,;21.5,-36.45,;20.14,-37.19,;20.13,-38.73,;18.81,-39.49,;17.47,-38.72,;17.47,-37.18,;18.81,-36.42,;17.63,-40.26,;16.23,-40.88,;15.9,-42.39,;15.2,-39.73,;13.66,-39.73,;12.89,-38.4,;13.66,-37.07,;15.2,-37.07,;15.97,-38.4,;25.51,-38.86,)|
BDBM50380918 CN([C@H]1CC[C@]2(CC1)OCc1ccccc21)C(=O)Nc1ccn(n1)-c1ccccc1F |r,wU:2.1,5.8,(2.04,3.76,;2,2.21,;.65,1.48,;.64,-.06,;-.69,-.83,;-2.02,-.05,;-2.02,1.48,;-.69,2.25,;-1.86,-1.59,;-3.27,-2.21,;-4.29,-1.07,;-5.83,-1.06,;-6.6,.26,;-5.84,1.59,;-4.29,1.6,;-3.52,.27,;3.32,1.41,;3.39,-.13,;4.65,2.19,;5.94,1.34,;7.39,1.89,;8.35,.69,;7.5,-.6,;6.02,-.19,;8.26,-1.95,;7.46,-3.27,;8.22,-4.62,;9.76,-4.64,;10.55,-3.3,;9.79,-1.96,;10.58,-.64,)|
BDBM50380919 CN([C@H]1CC[C@@]2(COc3ccccc23)CC1)C(=O)Nc1ccn(n1)-c1ccccc1F |r,wU:2.1,5.5,(26.05,3.87,;26.01,2.33,;24.66,1.59,;24.65,.06,;23.33,-.71,;21.99,.06,;22.15,-1.47,;20.74,-2.1,;19.72,-.95,;18.18,-.95,;17.41,.38,;18.18,1.71,;19.72,1.72,;20.49,.38,;21.99,1.6,;23.33,2.37,;27.33,1.53,;27.4,-.02,;28.66,2.31,;29.95,1.46,;31.4,2.01,;32.36,.81,;31.52,-.48,;30.03,-.08,;32.27,-1.83,;31.48,-3.15,;32.23,-4.5,;33.77,-4.52,;34.56,-3.19,;33.81,-1.85,;34.59,-.52,)|
BDBM50380920 CN([C@H]1CC[C@@]2(CC1)Cc1ccccc1C(=O)O2)C(=O)Nc1ccn(n1)-c1ccccc1F |r,wU:2.1,5.19,(1.18,-5.8,;1.14,-7.34,;-.21,-8.07,;-.22,-9.61,;-1.54,-10.37,;-2.87,-9.6,;-2.88,-8.07,;-1.54,-7.3,;-4.21,-8.83,;-5.53,-9.6,;-6.86,-8.83,;-8.2,-9.59,;-8.2,-11.14,;-6.87,-11.91,;-5.54,-11.15,;-4.2,-11.92,;-4.2,-13.46,;-2.86,-11.14,;2.46,-8.14,;2.52,-9.68,;3.79,-7.36,;5.07,-8.21,;6.52,-7.66,;7.48,-8.86,;6.64,-10.15,;5.15,-9.74,;7.39,-11.49,;6.6,-12.81,;7.35,-14.16,;8.89,-14.18,;9.68,-12.85,;8.92,-11.51,;9.71,-10.18,)|
BDBM50380921 CN([C@H]1CC[C@@]2(CC1)Cc1cnccc1C(=O)O2)C(=O)Nc1ccn(n1)-c1ccccc1F |r,wU:2.1,5.19,(24.41,-6.79,;24.37,-8.33,;23.01,-9.07,;23.01,-10.61,;21.68,-11.37,;20.35,-10.6,;20.34,-9.07,;21.68,-8.3,;19.01,-9.83,;17.69,-10.6,;16.36,-9.83,;15.02,-10.59,;15.02,-12.14,;16.35,-12.9,;17.68,-12.14,;19.02,-12.91,;19.02,-14.45,;20.36,-12.14,;25.68,-9.14,;25.75,-10.68,;27.01,-8.36,;28.29,-9.2,;29.74,-8.65,;30.7,-9.86,;29.86,-11.14,;28.37,-10.74,;30.61,-12.49,;29.82,-13.81,;30.57,-15.15,;32.11,-15.18,;32.9,-13.84,;32.15,-12.51,;32.93,-11.18,)|
BDBM50380922 CN([C@H]1CC[C@]2(CC1)OC(=O)c1ccncc21)C(=O)Nc1cnc(cn1)-c1ccccc1 |r,wU:2.1,5.8,(11.2,-3.59,;11.2,-5.13,;9.87,-5.9,;9.87,-7.44,;8.53,-8.21,;7.19,-7.43,;7.2,-5.9,;8.53,-5.13,;7.27,-8.97,;5.83,-9.52,;5.42,-11.01,;4.86,-8.32,;3.32,-8.23,;2.62,-6.86,;3.47,-5.56,;5.01,-5.65,;5.7,-7.03,;12.53,-5.9,;12.53,-7.44,;13.86,-5.13,;15.2,-5.9,;16.52,-5.13,;17.85,-5.89,;17.86,-7.44,;16.52,-8.21,;15.19,-7.44,;19.19,-8.21,;19.19,-9.75,;20.52,-10.51,;21.85,-9.74,;21.84,-8.2,;20.51,-7.44,)|
BDBM50380923 CN([C@H]1CC[C@@]2(CC1)OC(=O)c1ccncc21)C(=O)Nc1cnc(cn1)-c1ccccc1 |r,wU:5.8,wD:2.1,(11.79,-13.56,;11.79,-15.1,;10.46,-15.87,;9.13,-15.1,;7.8,-15.86,;7.79,-17.4,;9.12,-18.18,;10.46,-17.41,;7.87,-18.94,;6.42,-19.49,;6.02,-20.97,;5.45,-18.29,;3.92,-18.2,;3.22,-16.83,;4.06,-15.53,;5.61,-15.62,;6.3,-17,;13.13,-15.87,;13.13,-17.41,;14.46,-15.1,;15.79,-15.87,;17.11,-15.1,;18.45,-15.86,;18.45,-17.41,;17.12,-18.18,;15.79,-17.41,;19.78,-18.17,;19.78,-19.72,;21.11,-20.48,;22.45,-19.71,;22.44,-18.17,;21.11,-17.41,)|
BDBM50380924 CN([C@H]1CC[C@@]2(CC1)Cc1cnccc1C(=O)O2)C(=O)Nc1cnc(cn1)-c1ccccc1 |r,wU:2.1,5.19,(2.44,4.28,;2.4,2.73,;1.04,2,;1.04,.46,;-.29,-.3,;-1.62,.47,;-1.63,2,;-.29,2.77,;-2.96,1.24,;-4.28,.47,;-5.61,1.24,;-6.95,.48,;-6.95,-1.07,;-5.62,-1.84,;-4.29,-1.08,;-2.95,-1.85,;-2.95,-3.39,;-1.61,-1.07,;3.71,1.93,;3.78,.39,;5.04,2.71,;6.38,1.95,;7.71,2.72,;9.05,1.96,;9.05,.41,;7.71,-.36,;6.38,.41,;10.39,-.36,;10.39,-1.9,;11.72,-2.67,;13.06,-1.9,;13.05,-.35,;11.71,.41,)|
BDBM50380925 CN([C@H]1CC[C@@]2(CC1)Cc1ccccc1C(=O)O2)C(=O)Nc1cnc(cn1)-c1ccccc1 |r,wU:2.1,5.19,(28.87,3.24,;28.83,1.7,;27.47,.96,;27.47,-.58,;26.14,-1.34,;24.81,-.57,;24.8,.97,;26.14,1.73,;23.47,.2,;22.15,-.57,;20.82,.2,;19.48,-.56,;19.48,-2.11,;20.81,-2.87,;22.14,-2.11,;23.48,-2.88,;23.48,-4.42,;24.82,-2.11,;30.14,.89,;30.21,-.65,;31.47,1.68,;32.81,.92,;34.14,1.69,;35.47,.92,;35.48,-.62,;34.14,-1.4,;32.81,-.62,;36.81,-1.39,;36.81,-2.94,;38.15,-3.71,;39.48,-2.93,;39.47,-1.38,;38.14,-.62,)|
BDBM50380926 CCN([C@H]1CC[C@@]2(CC1)Cc1ccccc1C(=O)O2)C(=O)Nc1cnc(cn1)-c1ccccc1 |r,wU:3.2,6.20,(-.27,-8.96,;1.04,-9.76,;1,-11.3,;-.35,-12.04,;-.36,-13.58,;-1.68,-14.34,;-3.01,-13.57,;-3.02,-12.03,;-1.68,-11.27,;-4.35,-12.8,;-5.67,-13.57,;-7,-12.8,;-8.34,-13.56,;-8.34,-15.11,;-7.01,-15.88,;-5.68,-15.11,;-4.34,-15.88,;-4.34,-17.42,;-3,-15.11,;2.32,-12.11,;2.39,-13.65,;3.65,-11.33,;4.99,-12.08,;6.32,-11.31,;7.65,-12.08,;7.65,-13.62,;6.32,-14.4,;4.98,-13.63,;8.99,-14.39,;8.99,-15.94,;10.32,-16.71,;11.66,-15.93,;11.65,-14.38,;10.32,-13.62,)|
BDBM50380927 FC(F)(F)CN([C@H]1CC[C@@]2(CC1)Cc1ccccc1C(=O)O2)C(=O)Nc1cnc(cn1)-c1ccccc1 |r,wU:6.5,9.23,(25.73,-7.24,;25.69,-8.78,;24.33,-9.51,;24.35,-8,;27,-9.58,;26.96,-11.12,;25.61,-11.86,;25.6,-13.39,;24.28,-14.16,;22.95,-13.39,;22.94,-11.85,;24.28,-11.09,;21.61,-12.62,;20.28,-13.39,;18.96,-12.61,;17.62,-13.38,;17.62,-14.93,;18.95,-15.69,;20.28,-14.93,;21.61,-15.7,;21.61,-17.24,;22.95,-14.93,;28.28,-11.93,;28.34,-13.47,;29.6,-11.14,;30.95,-11.9,;32.27,-11.13,;33.61,-11.89,;33.61,-13.44,;32.27,-14.21,;30.94,-13.44,;34.94,-14.21,;34.94,-15.76,;36.28,-16.52,;37.61,-15.75,;37.61,-14.2,;36.27,-13.44,)|
BDBM50380928 O=C(CC1CCC2(CC1)Cc1ccccc1C(=O)O2)Nc1cnc(cn1)-c1ccccc1 |(3.06,-22.71,;2.99,-21.17,;1.67,-20.37,;.32,-21.1,;.31,-22.64,;-1.01,-23.4,;-2.34,-22.63,;-2.35,-21.1,;-1.01,-20.33,;-3.68,-21.86,;-5.01,-22.63,;-6.33,-21.86,;-7.67,-22.62,;-7.67,-24.17,;-6.34,-24.94,;-5.01,-24.17,;-3.68,-24.95,;-3.67,-26.49,;-2.33,-24.17,;4.32,-20.39,;5.66,-21.14,;6.99,-20.37,;8.32,-21.14,;8.32,-22.69,;6.99,-23.46,;5.65,-22.69,;9.66,-23.46,;9.66,-25,;10.99,-25.77,;12.33,-25,;12.32,-23.45,;10.99,-22.69,)|
BDBM50409035 COc1c([nH]c2c(nc(C)nc12)N1CCCCC1)-c1ccccc1
BDBM50404042 CC(C)Cn1c2ccccc2c2cc(NC(=O)CCN3CCCC3)ncc12
BDBM50403914 Nc1ccccc1S(=O)(=O)NC[C@H]1CC[C@H](CNCC2CCc3ccccc3C2)CC1 |wU:12.12,wD:15.16,(-.51,-.5,;-.51,-2.04,;-1.84,-2.81,;-1.84,-4.36,;-.51,-5.13,;.84,-4.36,;.84,-2.81,;2.17,-2.03,;2.16,-.49,;2.58,-3.52,;3.52,-2.79,;4.85,-2.02,;6.18,-2.79,;7.51,-2.01,;8.85,-2.78,;8.85,-4.33,;10.19,-5.1,;11.53,-4.33,;12.87,-5.1,;14.2,-4.33,;14.19,-2.79,;15.53,-2.02,;16.87,-2.79,;18.2,-2.04,;19.52,-2.81,;19.51,-4.35,;18.18,-5.11,;16.86,-4.33,;15.53,-5.11,;7.51,-5.1,;6.18,-4.33,)|
BDBM50403822 N[C@@H](CCCCNS(=O)(=O)c1ccccc1F)C(=O)NC1=NC2CCc3cc(F)ccc3C2C1 |t:21|
BDBM50409214 CC[C@H](C)[C@H](N)C(=O)N[C@H]1CCC(=O)NC[C@H](NC(=O)[C@@H]2CCCN2C(=O)[C@H](CCC(=O)NC[C@H](NC(=O)[C@@H]2CCCN2C1=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)NC(=O)[C@@H](N)[C@@H](C)CC)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O
BDBM50409778 OC(=O)CCc1cccc(CC(=O)Nc2cc(n[nH]2)-c2ccc(Cl)cc2)c1
BDBM50414446 CC(C)(C)C(=O)Nc1ccc(N2CCN(CC2)C(=O)c2ccccc2)c(Cl)c1
BDBM50414468 COc1cccnc1C(=O)N1CCN(CC1)c1ccc(NC(=O)C(C)(C)c2ccccc2)cc1Cl
BDBM50417032 O=C1O[C@@]2(CN1c1ccccn1)CC[C@H](CNc1nc(cs1)-c1ccccn1)CC2 |r,wU:14.16,wD:3.2,(5.76,.15,;4.73,1.3,;3.2,1.14,;2.57,2.54,;3.71,3.58,;5.05,2.8,;6.45,3.43,;7.7,2.52,;9.11,3.14,;9.27,4.67,;8.02,5.58,;6.61,4.95,;1.83,3.89,;.29,3.91,;-.5,2.59,;-2.04,2.62,;-2.79,3.96,;-4.33,3.99,;-5.25,2.75,;-6.71,3.25,;-6.69,4.79,;-5.21,5.24,;-7.96,2.37,;-7.82,.84,;-9.08,-.05,;-10.48,.6,;-10.62,2.14,;-9.36,3.02,;.25,1.25,;1.78,1.22,)|
BDBM50417033 Fc1ccccc1-n1ccc(NC[C@H]2CC[C@@]3(CN(C(=O)O3)c3ccccn3)CC2)n1 |r,wU:13.13,wD:16.22,(15.91,-.57,;14.51,.08,;13.26,-.81,;11.85,-.16,;11.72,1.37,;12.98,2.26,;14.38,1.6,;15.63,2.49,;15.65,4.03,;17.12,4.48,;18.01,3.23,;19.55,3.2,;20.3,1.86,;21.84,1.83,;22.63,3.15,;24.17,3.13,;24.91,1.78,;26.05,2.82,;27.39,2.04,;27.06,.54,;28.09,-.61,;25.53,.38,;28.79,2.66,;30.04,1.75,;31.44,2.38,;31.61,3.91,;30.35,4.82,;28.95,4.19,;24.12,.46,;22.59,.49,;17.08,1.99,)|
BDBM50417034 Fc1ccccc1-c1cnc(NC[C@H]2CC[C@@]3(CN(C(=O)O3)c3ccccn3)CC2)nc1 |r,wU:13.13,wD:16.22,(-7.82,-7.93,;-8.57,-6.59,;-10.11,-6.57,;-10.86,-5.22,;-10.07,-3.9,;-8.53,-3.92,;-7.79,-5.27,;-6.24,-5.29,;-5.45,-3.96,;-3.91,-3.99,;-3.17,-5.34,;-1.63,-5.36,;-.88,-6.71,;.66,-6.73,;1.45,-5.41,;2.99,-5.43,;3.73,-6.78,;4.87,-5.75,;6.21,-6.52,;5.89,-8.03,;6.92,-9.17,;4.35,-8.19,;7.61,-5.9,;8.86,-6.81,;10.27,-6.19,;10.43,-4.65,;9.17,-3.75,;7.77,-4.37,;2.94,-8.1,;1.41,-8.07,;-3.95,-6.65,;-5.49,-6.64,)|
BDBM50417035 Fc1ccccc1-c1cnc(NC[C@H]2CC[C@@]3(CN(C(=O)O3)c3ccccn3)CC2)cn1 |r,wU:13.13,wD:16.22,(15.52,-7.53,;14.76,-6.18,;13.23,-6.17,;12.47,-4.82,;13.26,-3.49,;14.8,-3.52,;15.55,-4.86,;17.09,-4.88,;17.88,-3.56,;19.42,-3.58,;20.17,-4.93,;21.71,-4.96,;22.45,-6.3,;23.99,-6.33,;24.79,-5.01,;26.33,-5.03,;27.07,-6.38,;28.2,-5.34,;29.54,-6.12,;29.22,-7.62,;30.25,-8.77,;27.69,-7.78,;30.95,-5.5,;32.19,-6.4,;33.6,-5.78,;33.76,-4.25,;32.51,-3.34,;31.11,-3.97,;26.27,-7.7,;24.74,-7.67,;19.38,-6.25,;17.85,-6.23,)|
BDBM50417036 Fc1ccccc1-c1ccc(NC[C@H]2CC[C@@]3(CN(C(=O)O3)c3ccccn3)CC2)nn1 |r,wU:13.13,wD:16.22,(-7.93,-14.34,;-8.69,-13,;-10.22,-12.98,;-10.98,-11.63,;-10.19,-10.31,;-8.65,-10.33,;-7.9,-11.68,;-6.36,-11.69,;-5.6,-13.04,;-4.07,-13.06,;-3.28,-11.75,;-1.74,-11.77,;-1,-13.12,;.54,-13.14,;1.34,-11.82,;2.88,-11.84,;3.62,-13.19,;4.75,-12.16,;6.09,-12.93,;5.77,-14.44,;6.8,-15.58,;4.24,-14.6,;7.5,-12.31,;8.74,-13.22,;10.15,-12.59,;10.31,-11.06,;9.06,-10.15,;7.66,-10.78,;2.82,-14.51,;1.29,-14.48,;-4.03,-10.4,;-5.57,-10.37,)|
BDBM50417037 Fc1ccccc1-c1ccc(NC[C@H]2CC[C@@]3(CN(C(=O)O3)c3ccccn3)CC2)cn1 |r,wU:13.13,wD:16.22,(16.05,-15.23,;15.29,-13.88,;13.76,-13.87,;13,-12.52,;13.79,-11.19,;15.33,-11.22,;16.08,-12.56,;17.62,-12.58,;18.37,-13.93,;19.91,-13.95,;20.69,-12.63,;22.23,-12.66,;22.98,-14,;24.52,-14.03,;25.32,-12.71,;26.86,-12.73,;27.59,-14.08,;28.73,-13.04,;30.07,-13.82,;29.75,-15.32,;30.78,-16.47,;28.22,-15.48,;31.48,-13.2,;32.72,-14.1,;34.13,-13.48,;34.29,-11.95,;33.04,-11.04,;31.64,-11.67,;26.8,-15.4,;25.27,-15.37,;19.95,-11.28,;18.41,-11.26,)|
BDBM50417038 FC(F)(F)c1ccc(NC[C@H]2CC[C@@]3(CN(C(=O)O3)c3ccccn3)CC2)nc1 |r,wU:10.9,wD:13.18,(-9.58,-17.43,;-8.84,-18.78,;-9.62,-20.1,;-10.38,-18.78,;-7.29,-18.8,;-6.54,-20.15,;-5,-20.16,;-4.22,-18.85,;-2.68,-18.87,;-1.93,-20.22,;-.39,-20.24,;.4,-18.92,;1.94,-18.94,;2.68,-20.29,;3.82,-19.26,;5.16,-20.03,;4.84,-21.54,;5.87,-22.68,;3.3,-21.7,;6.56,-19.41,;7.81,-20.32,;9.22,-19.7,;9.38,-18.16,;8.12,-17.26,;6.72,-17.88,;1.89,-21.61,;.36,-21.58,;-4.96,-17.5,;-6.5,-17.47,)|
BDBM50417039 O=C1O[C@@]2(CN1c1ccccn1)CC[C@H](CNc1ccc(OC3CCC3)cn1)CC2 |r,wU:14.16,wD:3.2,(29.67,-25.14,;28.64,-23.99,;27.1,-24.16,;26.48,-22.75,;27.62,-21.72,;28.96,-22.49,;30.36,-21.87,;31.61,-22.78,;33.02,-22.15,;33.18,-20.62,;31.92,-19.71,;30.52,-20.34,;25.74,-21.4,;24.2,-21.38,;23.41,-22.7,;21.87,-22.68,;21.12,-21.33,;19.58,-21.3,;18.8,-22.62,;17.26,-22.6,;16.51,-21.25,;14.96,-21.24,;14.22,-19.89,;14.64,-18.41,;13.16,-17.99,;12.74,-19.47,;17.3,-19.93,;18.84,-19.96,;24.16,-24.04,;25.69,-24.07,)|
BDBM50417040 O=C1O[C@@]2(CN1c1ccccn1)CC[C@H](CNc1ccc(cn1)-c1ncccn1)CC2 |r,wU:14.16,wD:3.2,(7.1,-28.95,;6.07,-27.81,;4.54,-27.97,;3.92,-26.56,;5.06,-25.53,;6.4,-26.3,;7.8,-25.68,;9.05,-26.59,;10.45,-25.96,;10.62,-24.43,;9.36,-23.52,;7.96,-24.15,;3.18,-25.21,;1.64,-25.19,;.85,-26.51,;-.69,-26.49,;-1.44,-25.14,;-2.98,-25.12,;-3.77,-26.43,;-5.3,-26.41,;-6.06,-25.06,;-5.26,-23.74,;-3.73,-23.77,;-7.6,-25.05,;-8.35,-23.7,;-9.89,-23.68,;-10.68,-25,;-9.92,-26.35,;-8.38,-26.37,;1.59,-27.85,;3.13,-27.88,)|
BDBM50417041 O=C1O[C@@]2(CN1c1ccccn1)CC[C@H](CNc1ccc(cn1)-c1nccs1)CC2 |r,wU:14.16,wD:3.2,(30.13,-31.33,;29.1,-30.19,;27.57,-30.35,;26.95,-28.94,;28.09,-27.91,;29.43,-28.68,;30.83,-28.06,;32.08,-28.97,;33.48,-28.34,;33.65,-26.81,;32.39,-25.9,;30.99,-26.53,;26.21,-27.59,;24.67,-27.57,;23.88,-28.89,;22.34,-28.87,;21.59,-27.52,;20.05,-27.5,;19.26,-28.81,;17.73,-28.79,;16.97,-27.44,;17.77,-26.12,;19.3,-26.15,;15.43,-27.43,;14.51,-28.66,;13.05,-28.17,;13.06,-26.63,;14.53,-26.17,;24.62,-30.23,;26.16,-30.26,)|
BDBM50417042 Fc1ccccc1-n1cc(NC[C@H]2CC[C@@]3(CN(C(=O)O3)c3cccnc3)CC2)cn1 |r,wU:12.12,wD:15.21,(-7.01,-.66,;-8.41,-.01,;-9.65,-.9,;-11.06,-.25,;-11.21,1.29,;-9.94,2.17,;-8.54,1.52,;-7.29,2.4,;-5.83,1.9,;-4.9,3.14,;-3.36,3.12,;-2.62,1.77,;-1.08,1.74,;-.28,3.07,;1.26,3.05,;2,1.7,;3.14,2.73,;4.48,1.96,;4.16,.45,;5.18,-.7,;2.62,.29,;5.88,2.57,;7.12,1.67,;8.53,2.29,;8.69,3.82,;7.44,4.73,;6.04,4.1,;1.21,.37,;-.33,.41,;-5.79,4.4,;-7.27,3.94,)|
BDBM50417043 Cc1ncccc1N1C[C@@]2(CC[C@H](CNc3cnn(c3)-c3ccccc3F)CC2)OC1=O |r,wU:12.13,wD:9.32,(27.95,3.78,;29.2,2.88,;30.61,3.51,;31.86,2.6,;31.69,1.07,;30.29,.45,;29.05,1.35,;27.64,.73,;26.3,1.5,;25.16,.47,;24.42,1.83,;22.88,1.84,;22.08,.52,;20.54,.55,;19.8,1.89,;18.26,1.92,;17.37,3.18,;15.89,2.72,;15.87,1.18,;17.33,.68,;14.61,.3,;13.22,.95,;11.96,.07,;12.1,-1.47,;13.5,-2.12,;14.75,-1.23,;16.15,-1.88,;22.84,-.82,;24.37,-.85,;25.79,-.94,;27.32,-.77,;28.34,-1.92,)|
BDBM50417044 Fc1ccccc1-n1cc(NC[C@H]2CC[C@@]3(CN(C(=O)O3)c3cccnc3F)CC2)cn1 |r,wU:12.12,wD:15.21,(17.14,-9.3,;15.74,-8.65,;14.5,-9.54,;13.09,-8.89,;12.95,-7.35,;14.21,-6.47,;15.61,-7.12,;16.86,-6.24,;18.32,-6.74,;19.25,-5.5,;20.79,-5.52,;21.54,-6.87,;23.08,-6.9,;23.87,-5.57,;25.41,-5.59,;26.15,-6.95,;27.29,-5.92,;28.63,-6.69,;28.31,-8.19,;29.34,-9.34,;26.78,-8.35,;30.04,-6.07,;31.28,-6.97,;32.69,-6.35,;32.85,-4.82,;31.6,-3.91,;30.2,-4.54,;28.95,-3.63,;25.36,-8.27,;23.83,-8.24,;18.36,-4.24,;16.89,-4.7,)|
BDBM50417045 Fc1ccccc1-n1cc(NC[C@H]2CC[C@@]3(CN(C(=O)O3)c3cnccn3)CC2)cn1 |r,wU:12.12,wD:15.21,(-6.54,-17.19,;-7.94,-16.54,;-9.19,-17.43,;-10.59,-16.78,;-10.73,-15.24,;-9.48,-14.36,;-8.08,-15.01,;-6.82,-14.13,;-5.37,-14.63,;-4.44,-13.39,;-2.9,-13.41,;-2.15,-14.76,;-.61,-14.79,;.19,-13.47,;1.73,-13.48,;2.46,-14.84,;3.6,-13.8,;4.94,-14.58,;4.62,-16.08,;5.64,-17.23,;3.09,-16.24,;6.35,-13.96,;7.58,-14.86,;8.99,-14.24,;9.15,-12.71,;7.91,-11.8,;6.5,-12.43,;1.67,-16.16,;.14,-16.13,;-5.33,-12.13,;-6.8,-12.59,)|
BDBM50417046 Fc1ccccc1-n1cc(NC[C@H]2CC[C@@]3(CN(C(=O)O3)c3cccnn3)CC2)cn1 |r,wU:12.12,wD:15.21,(16.1,-16.72,;14.7,-16.07,;13.45,-16.97,;12.04,-16.31,;11.91,-14.78,;13.16,-13.9,;14.56,-14.55,;15.81,-13.67,;17.27,-14.16,;18.2,-12.92,;19.74,-12.95,;20.49,-14.3,;22.03,-14.32,;22.82,-13,;24.36,-13.02,;25.1,-14.37,;26.24,-13.33,;27.58,-14.11,;27.26,-15.62,;28.28,-16.76,;25.73,-15.78,;28.99,-13.49,;30.23,-14.4,;31.63,-13.78,;31.8,-12.24,;30.55,-11.33,;29.15,-11.97,;24.31,-15.69,;22.78,-15.66,;17.31,-11.67,;15.84,-12.13,)|
BDBM50417047 Fc1ccccc1-n1cc(NC[C@H]2CC[C@@]3(CN(C(=O)O3)c3ccnnc3)CC2)cn1 |r,wU:12.12,wD:15.21,(-7.1,-25.51,;-8.5,-24.86,;-9.75,-25.75,;-11.16,-25.1,;-11.3,-23.56,;-10.04,-22.68,;-8.64,-23.33,;-7.38,-22.45,;-5.93,-22.95,;-5,-21.71,;-3.45,-21.73,;-2.71,-23.08,;-1.17,-23.1,;-.37,-21.78,;1.17,-21.8,;1.9,-23.15,;3.04,-22.12,;4.38,-22.89,;4.06,-24.4,;5.09,-25.55,;2.53,-24.56,;5.79,-22.28,;7.03,-23.18,;8.44,-22.56,;8.6,-21.03,;7.35,-20.12,;5.95,-20.75,;1.11,-24.48,;-.42,-24.44,;-5.89,-20.45,;-7.36,-20.91,)|
BDBM50417048 Cc1nnc(s1)N1C[C@@]2(CC[C@H](CNc3cnn(c3)-c3ccccc3F)CC2)OC1=O |r,wU:11.12,wD:8.31,(32.21,-20.6,;30.68,-20.6,;29.77,-19.35,;28.3,-19.82,;28.3,-21.36,;29.77,-21.84,;26.9,-21.98,;25.57,-21.2,;24.42,-22.24,;23.69,-20.88,;22.15,-20.86,;21.35,-22.19,;19.81,-22.16,;19.07,-20.81,;17.53,-20.79,;16.64,-19.53,;15.17,-19.99,;15.14,-21.53,;16.6,-22.03,;13.89,-22.41,;12.49,-21.76,;11.24,-22.64,;11.37,-24.18,;12.78,-24.83,;14.02,-23.94,;15.42,-24.59,;22.1,-23.53,;23.64,-23.56,;25.05,-23.64,;26.58,-23.48,;27.61,-24.63,)|
BDBM50417049 O=C1O[C@@]2(CN1c1cccnn1)CC[C@H](CNc1ccc(cn1)-c1ncccn1)CC2 |r,wU:14.16,wD:3.2,(5.9,-.17,;4.87,.97,;3.34,.81,;2.72,2.22,;3.86,3.25,;5.2,2.48,;6.6,3.1,;7.85,2.19,;9.25,2.81,;9.42,4.35,;8.16,5.25,;6.76,4.62,;1.98,3.57,;.44,3.59,;-.35,2.27,;-1.89,2.29,;-2.64,3.64,;-4.18,3.66,;-4.96,2.34,;-6.5,2.36,;-7.26,3.71,;-6.46,5.04,;-4.92,5.01,;-8.8,3.73,;-9.55,5.08,;-11.08,5.1,;-11.88,3.78,;-11.12,2.43,;-9.58,2.41,;.4,.93,;1.93,.9,)|
BDBM50417050 Fc1cc(F)cc(c1)-c1ccc(NC[C@H]2CC[C@@]3(CN(C(=O)O3)c3cccnn3)CC2)nn1 |r,wU:14.14,wD:17.23,(-9.07,-1.62,;-8.32,-2.96,;-9.11,-4.29,;-8.36,-5.64,;-9.14,-6.96,;-6.82,-5.65,;-6.04,-4.34,;-6.78,-2.99,;-4.49,-4.35,;-3.74,-5.7,;-2.2,-5.72,;-1.42,-4.4,;.12,-4.43,;.87,-5.77,;2.41,-5.8,;3.2,-4.48,;4.74,-4.5,;5.48,-5.85,;6.62,-4.81,;7.96,-5.59,;7.64,-7.09,;8.67,-8.24,;6.1,-7.25,;9.36,-4.97,;10.61,-5.88,;12.02,-5.25,;12.18,-3.72,;10.92,-2.81,;9.52,-3.44,;4.69,-7.17,;3.16,-7.14,;-2.16,-3.06,;-3.7,-3.03,)|
BDBM50417051 Cc1ccccc1-c1ccc(NC[C@H]2CC[C@@]3(CN(C(=O)O3)c3cccnn3)CC2)nn1 |r,wU:13.13,wD:16.22,(17.45,-6.84,;16.7,-5.5,;15.16,-5.48,;14.41,-4.13,;15.2,-2.81,;16.74,-2.83,;17.48,-4.18,;19.03,-4.2,;19.78,-5.55,;21.32,-5.57,;22.1,-4.25,;23.64,-4.27,;24.39,-5.62,;25.93,-5.64,;26.72,-4.32,;28.26,-4.34,;29,-5.69,;30.14,-4.66,;31.48,-5.43,;31.16,-6.94,;32.19,-8.08,;29.62,-7.1,;32.88,-4.81,;34.13,-5.72,;35.54,-5.1,;35.7,-3.56,;34.44,-2.66,;33.04,-3.29,;28.21,-7.01,;26.68,-6.98,;21.36,-2.9,;19.82,-2.87,)|
BDBM50417052 Fc1cccnc1-c1ccc(NC[C@H]2CC[C@@]3(CN(C(=O)O3)c3cccnn3)CC2)nc1 |r,wU:13.13,wD:16.22,(16.94,-15.12,;16.19,-13.77,;14.65,-13.76,;13.89,-12.41,;14.68,-11.08,;16.22,-11.11,;16.97,-12.46,;18.51,-12.47,;19.27,-13.82,;20.8,-13.84,;21.59,-12.52,;23.13,-12.55,;23.88,-13.89,;25.42,-13.92,;26.21,-12.6,;27.75,-12.62,;28.49,-13.97,;29.63,-12.93,;30.97,-13.71,;30.64,-15.21,;31.67,-16.36,;29.11,-15.37,;32.37,-13.09,;33.62,-14,;35.02,-13.37,;35.19,-11.84,;33.93,-10.93,;32.53,-11.56,;27.7,-15.29,;26.16,-15.26,;20.84,-11.18,;19.31,-11.15,)|
BDBM50417053 O=C(Nc1nc(cs1)-c1ccccn1)N1CCC2(CN(C(=O)O2)c2ccccc2)CC1
BDBM50417054 Fc1ccccc1-c1ccc(NC[C@H]2CC[C@@]3(CN(C(=O)O3)c3cccnn3)CC2)nn1 |r,wU:13.13,wD:16.22,(14.72,.44,;13.96,1.78,;12.43,1.8,;11.67,3.15,;12.46,4.47,;14,4.45,;14.75,3.1,;16.29,3.08,;17.04,1.73,;18.58,1.71,;19.36,3.03,;20.9,3.01,;21.65,1.66,;23.19,1.64,;23.99,2.96,;25.53,2.94,;26.26,1.59,;27.4,2.62,;28.74,1.85,;28.42,.34,;29.45,-.8,;26.89,.18,;30.15,2.47,;31.39,1.56,;32.8,2.18,;32.96,3.72,;31.71,4.62,;30.31,3.99,;25.47,.27,;23.94,.3,;18.62,4.38,;17.08,4.41,)|
BDBM50417055 Cc1cccc(n1)-c1ccc(NC[C@H]2CC[C@@]3(CN(C(=O)O3)c3cccnn3)CC2)nc1 |r,wU:13.13,wD:16.22,(-8.85,-9.35,;-8.11,-10.7,;-8.9,-12.02,;-8.14,-13.37,;-6.6,-13.38,;-5.82,-12.07,;-6.57,-10.72,;-4.28,-12.08,;-3.52,-13.43,;-1.98,-13.45,;-1.2,-12.13,;.34,-12.16,;1.09,-13.51,;2.63,-13.53,;3.42,-12.21,;4.96,-12.23,;5.7,-13.58,;6.84,-12.55,;8.18,-13.32,;7.85,-14.82,;8.88,-15.97,;6.32,-14.99,;9.58,-12.7,;10.83,-13.61,;12.23,-12.98,;12.4,-11.45,;11.14,-10.54,;9.74,-11.17,;4.91,-14.9,;3.37,-14.87,;-1.95,-10.79,;-3.48,-10.76,)|
BDBM50417056 Fc1ccccc1-n1cc(NC[C@H]2CC[C@@]3(CN(C(=O)O3)c3cncnc3)CC2)cn1 |r,wU:12.12,wD:15.21,(-5.79,-9.02,;-7.19,-8.37,;-8.44,-9.26,;-9.85,-8.61,;-9.98,-7.07,;-8.73,-6.19,;-7.33,-6.84,;-6.08,-5.96,;-4.62,-6.46,;-3.69,-5.22,;-2.15,-5.25,;-1.4,-6.59,;.14,-6.62,;.94,-5.3,;2.48,-5.31,;3.21,-6.67,;4.35,-5.63,;5.69,-6.41,;5.37,-7.91,;6.4,-9.06,;3.84,-8.08,;7.1,-5.79,;8.34,-6.69,;9.75,-6.07,;9.91,-4.54,;8.66,-3.63,;7.26,-4.26,;2.42,-7.99,;.89,-7.96,;-4.58,-3.96,;-6.05,-4.42,)|
BDBM50417386 Fc1ccccc1N1C[C@@]2(CC[C@@H](CC2)c2nc3ccc(OC(F)(F)F)cc3[nH]2)OC1=O |r,wU:9.32,wD:12.16,(21.81,-13.52,;23.13,-14.3,;24.47,-13.55,;25.8,-14.33,;25.78,-15.87,;24.44,-16.62,;23.12,-15.84,;21.78,-16.59,;20.39,-15.95,;19.34,-17.08,;18.6,-18.43,;17.06,-18.46,;16.27,-17.15,;17,-15.79,;18.54,-15.76,;14.73,-17.18,;13.85,-18.45,;12.37,-18.01,;11.05,-18.81,;9.7,-18.07,;9.67,-16.53,;8.32,-15.79,;8.28,-14.25,;6.93,-13.51,;9.59,-13.45,;8.32,-12.71,;10.98,-15.73,;12.33,-16.46,;13.79,-15.94,;20.1,-18.42,;21.61,-18.12,;22.74,-19.16,)|
BDBM50417387 Fc1ccc(cc1)N1C[C@@]2(CC[C@@H](CC2)c2nc3ccc(OC(F)(F)F)cc3[nH]2)OC1=O |r,wU:9.32,wD:12.16,(48.29,-13.3,;46.95,-14.06,;46.93,-15.6,;45.59,-16.35,;44.26,-15.57,;44.28,-14.03,;45.61,-13.28,;42.93,-16.32,;41.53,-15.68,;40.48,-16.81,;39.74,-18.16,;38.21,-18.19,;37.41,-16.88,;38.14,-15.53,;39.68,-15.5,;35.87,-16.91,;34.99,-18.18,;33.51,-17.74,;32.19,-18.54,;30.84,-17.8,;30.81,-16.26,;29.46,-15.52,;29.42,-13.98,;28.07,-13.24,;30.74,-13.18,;29.46,-12.44,;32.12,-15.46,;33.47,-16.19,;34.93,-15.67,;41.24,-18.15,;42.75,-17.85,;43.88,-18.89,)|
BDBM50417388 Fc1cccc(n1)N1C[C@@]2(CC[C@@H](CC2)c2nc3ccc(OC(F)(F)F)cc3[nH]2)OC1=O |r,wU:9.32,wD:12.16,(45.18,-25.24,;45.16,-26.78,;46.5,-27.56,;46.48,-29.1,;45.14,-29.86,;43.82,-29.07,;43.83,-27.54,;42.48,-29.82,;41.08,-29.18,;40.04,-30.32,;39.29,-31.66,;37.76,-31.7,;36.96,-30.38,;37.69,-29.03,;39.24,-29,;35.43,-30.41,;34.55,-31.68,;33.06,-31.24,;31.75,-32.04,;30.4,-31.3,;30.36,-29.76,;29.01,-29.02,;28.98,-27.48,;27.62,-26.75,;30.29,-26.68,;29.02,-25.94,;31.67,-28.96,;33.03,-29.69,;34.49,-29.18,;40.8,-31.65,;42.31,-31.35,;43.44,-32.39,)|
BDBM50417389 O=C1OC2(CN1c1ccccc1)CCN(CC2)c1nc2ccccc2[nH]1
BDBM50417390 FC(F)(F)Oc1ccc2nc([nH]c2c1)N1CCC2(CN(C(=O)O2)c2ccccc2)CC1
BDBM50417391 FC(F)(F)c1ccc2nc([nH]c2c1)N1CCC2(CN(C(=O)O2)c2ccccc2)CC1
BDBM50417392 Fc1ccc2nc([nH]c2c1)N1CCC2(CN(C(=O)O2)c2ccccc2)CC1
BDBM50417393 Cc1ncccc1N1C[C@@]2(CC[C@@H](CC2)c2nc3ccc(OC(F)(F)F)cc3[nH]2)OC1=O |r,wU:9.32,wD:12.16,(21.92,-28.06,;23.25,-28.84,;24.59,-28.08,;25.92,-28.86,;25.9,-30.4,;24.56,-31.16,;23.24,-30.37,;21.9,-31.12,;20.5,-30.48,;19.46,-31.62,;18.71,-32.97,;17.18,-33,;16.38,-31.68,;17.11,-30.33,;18.66,-30.3,;14.85,-31.71,;13.97,-32.98,;12.48,-32.54,;11.17,-33.34,;9.81,-32.61,;9.78,-31.06,;8.43,-30.32,;8.39,-28.78,;7.04,-28.05,;9.71,-27.98,;8.43,-27.24,;11.09,-30.26,;12.44,-30.99,;13.91,-30.48,;20.22,-32.95,;21.73,-32.65,;22.86,-33.7,)|
BDBM50417394 Brc1ccc2nc([nH]c2c1)N1CCC2(CN(C(=O)O2)c2ccccc2)CC1
BDBM50417395 FC(F)(F)Oc1ccc2nc([nH]c2c1)[C@H]1CC[C@@]2(CN(C(=O)O2)c2cccnc2)CC1 |r,wU:17.24,wD:14.15,(-12.77,-33.88,;-11.41,-34.62,;-10.09,-33.81,;-11.37,-33.07,;-11.39,-36.15,;-10.02,-36.89,;-9.99,-38.43,;-8.64,-39.17,;-7.32,-38.37,;-5.84,-38.81,;-4.96,-37.54,;-5.9,-36.31,;-7.36,-36.82,;-8.71,-36.09,;-3.42,-37.51,;-2.63,-38.83,;-1.09,-38.79,;-.35,-37.45,;.7,-36.31,;2.09,-36.95,;1.92,-38.48,;3.05,-39.52,;.41,-38.78,;3.43,-36.2,;4.75,-36.99,;6.09,-36.23,;6.11,-34.69,;4.78,-33.91,;3.44,-34.67,;-1.15,-36.13,;-2.69,-36.16,)|
BDBM50417396 Fc1ncccc1N1C[C@@]2(CC[C@@H](CC2)c2nc3ccc(OC(F)(F)F)cc3[nH]2)OC1=O |r,wU:9.32,wD:12.16,(21.99,-34.44,;23.31,-35.22,;24.65,-34.46,;25.98,-35.24,;25.97,-36.79,;24.62,-37.54,;23.3,-36.75,;21.97,-37.5,;20.57,-36.86,;19.52,-38,;18.78,-39.35,;17.24,-39.38,;16.45,-38.06,;17.18,-36.71,;18.72,-36.68,;14.91,-38.09,;14.03,-39.36,;12.55,-38.92,;11.23,-39.72,;9.88,-38.99,;9.85,-37.44,;8.5,-36.7,;8.46,-35.17,;7.11,-34.43,;9.77,-34.36,;8.5,-33.62,;11.16,-36.64,;12.51,-37.37,;13.97,-36.86,;20.28,-39.33,;21.79,-39.03,;22.92,-40.08,)|
BDBM50417397 O=C1O[C@@]2(CN1c1ccccn1)CC[C@@H](CC2)c1nc2ccc(cc2[nH]1)C#N |r,wU:3.2,wD:14.19,(25.34,-47.26,;24.21,-46.22,;22.7,-46.52,;21.94,-45.18,;22.99,-44.05,;24.39,-44.69,;25.72,-43.94,;27.05,-44.72,;28.39,-43.97,;28.4,-42.43,;27.07,-41.65,;25.74,-42.4,;21.2,-46.53,;19.67,-46.56,;18.87,-45.25,;19.6,-43.89,;21.15,-43.86,;17.33,-45.27,;16.45,-46.55,;14.97,-46.11,;13.66,-46.91,;12.31,-46.17,;12.27,-44.63,;13.58,-43.83,;14.93,-44.56,;16.39,-44.04,;10.92,-43.89,;9.58,-43.12,)|
BDBM50417398 Cc1ccccc1N1C[C@@]2(CC[C@@H](CC2)c2nc3ccc(OC(F)(F)F)cc3[nH]2)OC1=O |r,wU:9.32,wD:12.16,(1.99,-19.59,;3.32,-20.37,;4.65,-19.62,;5.99,-20.4,;5.97,-21.94,;4.63,-22.69,;3.3,-21.91,;1.97,-22.66,;.57,-22.02,;-.47,-23.15,;-1.22,-24.5,;-2.75,-24.53,;-3.55,-23.22,;-2.82,-21.87,;-1.27,-21.84,;-5.08,-23.25,;-5.96,-24.52,;-7.45,-24.08,;-8.76,-24.88,;-10.11,-24.14,;-10.15,-22.6,;-11.51,-21.86,;-11.54,-20.32,;-12.89,-19.58,;-10.22,-19.52,;-11.5,-18.78,;-8.84,-21.8,;-7.49,-22.53,;-6.02,-22.02,;.29,-24.49,;1.79,-24.19,;2.93,-25.23,)|
BDBM50417399 FC(F)(F)c1ccc2nc([nH]c2c1)[C@H]1CC[C@@]2(CN(C(=O)O2)c2ccccn2)CC1 |r,wU:16.23,wD:13.14,(-11.58,-41.95,;-11.55,-43.49,;-12.86,-44.29,;-12.88,-42.71,;-10.19,-44.22,;-10.15,-45.77,;-8.8,-46.5,;-7.49,-45.7,;-6,-46.14,;-5.12,-44.87,;-6.06,-43.64,;-7.52,-44.15,;-8.88,-43.42,;-3.59,-44.84,;-2.79,-46.16,;-1.26,-46.13,;-.51,-44.78,;.53,-43.64,;1.93,-44.28,;1.75,-45.81,;2.89,-46.86,;.25,-46.11,;3.26,-43.53,;4.59,-44.32,;5.93,-43.57,;5.95,-42.03,;4.61,-41.24,;3.28,-42,;-1.31,-43.46,;-2.86,-43.49,)|
BDBM50417400 Fc1cccc(n1)N1C[C@@]2(CC[C@@H](CC2)c2nc3ccc(cc3[nH]2)C(F)(F)F)OC1=O |r,wU:9.31,wD:12.16,(25.52,-40.31,;25.51,-41.85,;26.85,-42.63,;26.83,-44.17,;25.49,-44.92,;24.16,-44.14,;24.18,-42.6,;22.83,-44.89,;21.43,-44.25,;20.38,-45.38,;19.64,-46.73,;18.11,-46.76,;17.31,-45.45,;18.04,-44.09,;19.59,-44.06,;15.77,-45.48,;14.89,-46.75,;13.41,-46.31,;12.1,-47.11,;10.74,-46.37,;10.71,-44.83,;12.02,-44.03,;13.37,-44.76,;14.83,-44.24,;9.36,-44.09,;9.32,-42.55,;8.04,-44.89,;8.02,-43.32,;21.14,-46.72,;22.65,-46.42,;23.78,-47.46,)|
BDBM50417471 CC(C)(C(=O)Nc1ccc(N2CCC3(CCN(CC4CC4)C3)CC2)c(Cl)c1)c1nccc(n1)C(F)(F)F
BDBM50417401 FC(F)(F)Oc1ccc2nc([nH]c2c1)[C@H]1CC[C@@]2(CN(C(=O)O2)c2ccccc2Cl)CC1 |r,wU:17.24,wD:14.15,(7.52,-20.4,;8.87,-21.14,;10.19,-20.34,;8.91,-19.6,;8.91,-22.68,;10.26,-23.42,;10.29,-24.96,;11.65,-25.7,;12.96,-24.9,;14.44,-25.34,;15.32,-24.07,;14.38,-22.84,;12.92,-23.35,;11.57,-22.62,;16.86,-24.04,;17.66,-25.35,;19.19,-25.32,;19.94,-23.97,;20.98,-22.84,;22.38,-23.48,;22.2,-25.01,;23.34,-26.05,;20.7,-25.31,;23.71,-22.73,;25.04,-23.52,;26.38,-22.76,;26.4,-21.22,;25.06,-20.44,;23.73,-21.19,;22.4,-20.41,;19.14,-22.66,;17.59,-22.69,)|
BDBM50417402 FC(F)(F)c1ccc2nc([nH]c2c1)[C@H]1CC[C@@]2(CN(C(=O)O2)c2ccccc2)CC1 |r,wU:16.23,wD:13.14,(28.53,-36.29,;28.56,-37.83,;27.25,-38.63,;27.22,-37.06,;29.91,-38.57,;29.95,-40.11,;31.3,-40.85,;32.61,-40.05,;34.1,-40.49,;34.98,-39.22,;34.04,-37.99,;32.58,-38.5,;31.22,-37.77,;36.51,-39.19,;37.31,-40.51,;38.84,-40.47,;39.59,-39.12,;40.63,-37.99,;42.03,-38.63,;41.86,-40.16,;42.99,-41.2,;40.35,-40.46,;43.37,-37.88,;44.69,-38.67,;46.03,-37.91,;46.05,-36.37,;44.71,-35.59,;43.38,-36.35,;38.79,-37.81,;37.24,-37.84,)|
BDBM50417403 Fc1ccc(cc1)N1C[C@@]2(CC[C@@H](CC2)c2nc3ccc(cc3[nH]2)C#N)OC1=O |r,wU:9.29,wD:12.16,(8.45,-40.09,;7.11,-40.85,;7.09,-42.39,;5.75,-43.14,;4.42,-42.35,;4.44,-40.82,;5.77,-40.06,;3.09,-43.11,;1.69,-42.46,;.65,-43.6,;-.1,-44.95,;-1.63,-44.98,;-2.43,-43.66,;-1.7,-42.31,;-.15,-42.28,;-3.96,-43.69,;-4.85,-44.97,;-6.33,-44.52,;-7.64,-45.33,;-8.99,-44.59,;-9.03,-43.05,;-7.72,-42.24,;-6.37,-42.98,;-4.9,-42.46,;-10.38,-42.31,;-11.72,-41.54,;1.41,-44.94,;2.91,-44.64,;4.05,-45.68,)|
BDBM50417404 Cc1cccc(n1)N1C[C@@]2(CC[C@@H](CC2)c2nc3ccc(OC(F)(F)F)cc3[nH]2)OC1=O |r,wU:9.32,wD:12.16,(4.72,-25.12,;4.71,-26.66,;6.04,-27.44,;6.02,-28.99,;4.68,-29.74,;3.36,-28.95,;3.37,-27.42,;2.02,-29.7,;.63,-29.06,;-.42,-30.2,;-1.16,-31.54,;-2.7,-31.58,;-3.49,-30.26,;-2.76,-28.91,;-1.22,-28.88,;-5.03,-30.29,;-5.91,-31.56,;-7.39,-31.12,;-8.71,-31.92,;-10.06,-31.19,;-10.09,-29.64,;-11.46,-28.9,;-11.48,-27.37,;-12.84,-26.63,;-10.17,-26.56,;-11.44,-25.82,;-8.78,-28.84,;-7.43,-29.57,;-5.97,-29.06,;.34,-31.53,;1.85,-31.23,;2.98,-32.28,)|
BDBM50417405 FC(F)(F)Oc1ccc2nc([nH]c2c1)[C@H]1CC[C@@]2(CN(C(=O)O2)c2ccccc2)CC1 |r,wU:17.24,wD:14.15,(-14.1,-12.22,;-12.74,-12.96,;-11.43,-12.16,;-12.7,-11.42,;-12.72,-14.5,;-11.36,-15.24,;-11.32,-16.78,;-9.97,-17.52,;-8.66,-16.71,;-7.17,-17.16,;-6.29,-15.88,;-7.23,-14.65,;-8.69,-15.17,;-10.04,-14.44,;-4.76,-15.85,;-3.96,-17.17,;-2.43,-17.14,;-1.69,-15.79,;-.64,-14.66,;.76,-15.3,;.58,-16.83,;1.71,-17.87,;-.93,-17.13,;2.09,-14.55,;3.41,-15.33,;4.75,-14.58,;4.77,-13.04,;3.44,-12.26,;2.1,-13.01,;-2.48,-14.47,;-4.03,-14.5,)|
BDBM50417406 O=C1O[C@@]2(CN1c1ccccc1)CC[C@@H](CC2)c1nc2ccc(cc2[nH]1)C#N |r,wU:3.2,wD:14.19,(44.12,-48.11,;42.99,-47.06,;41.48,-47.37,;40.72,-46.03,;41.77,-44.89,;43.17,-45.54,;44.5,-44.78,;45.83,-45.57,;47.17,-44.82,;47.18,-43.28,;45.85,-42.49,;44.51,-43.25,;39.98,-47.38,;38.45,-47.41,;37.65,-46.09,;38.38,-44.74,;39.92,-44.71,;36.11,-46.12,;35.23,-47.4,;33.75,-46.95,;32.43,-47.76,;31.08,-47.02,;31.05,-45.47,;32.36,-44.67,;33.71,-45.4,;35.17,-44.89,;29.7,-44.74,;28.35,-43.96,)|
BDBM50417407 Fc1ccc(cc1)-c1ccc2[nH]c(nc2c1)N1CCC2(CN(C(=O)O2)c2ccccc2)CC1
BDBM50417408 FC(F)(F)Oc1ccc2nc([nH]c2c1)[C@H]1CC[C@@]2(CN(C(=O)O2)c2ccccn2)CC1 |r,wU:17.24,wD:14.15,(27.51,-20,;28.86,-20.74,;30.17,-19.93,;28.9,-19.19,;28.9,-22.27,;30.25,-23.01,;30.28,-24.56,;31.63,-25.29,;32.95,-24.49,;34.43,-24.93,;35.31,-23.66,;34.37,-22.43,;32.91,-22.94,;31.56,-22.21,;36.84,-23.63,;37.64,-24.95,;39.18,-24.92,;39.92,-23.57,;40.97,-22.43,;42.36,-23.07,;42.19,-24.6,;43.32,-25.65,;40.68,-24.9,;43.7,-22.32,;45.02,-23.11,;46.36,-22.36,;46.38,-20.81,;45.05,-20.03,;43.71,-20.79,;39.12,-22.25,;37.58,-22.28,)|
BDBM50416436 CC(N1C[C@H]2[C@@H](CNc3nc(cs3)-c3ccccn3)[C@H]2C1)c1ccccc1 |r|
BDBM50416437 Cc1cc(C)cc(CN2C[C@H]3[C@@H](CNc4nc(cs4)-c4ccccn4)[C@H]3C2)c1 |r|
BDBM50416438 C(Nc1nc(cs1)-c1ccccn1)[C@@H]1[C@@H]2CN(Cc3ccccc3)C[C@H]12 |r|
BDBM50416439 CC(C)CN1C[C@H]2[C@@H](CNc3nc(cs3)-c3ccccn3)[C@H]2C1 |r|
BDBM50416441 O=C(C1CCOCC1)N1C[C@H]2[C@@H](CNc3nc(cs3)-c3ccccn3)[C@H]2C1 |r|
BDBM50416442 O=C(C1CCCO1)N1C[C@H]2[C@@H](CNc3nc(cs3)-c3ccccn3)[C@H]2C1 |r|
BDBM50416443 O=C([C@H]1C[C@@H]1c1ccccc1)N1C[C@H]2[C@@H](CNc3nc(cs3)-c3ccccn3)[C@H]2C1 |r|
BDBM50416444 CC(C(C)c1ccccc1)C(=O)N1C[C@H]2[C@@H](CNc3nc(cs3)-c3ccccn3)[C@H]2C1 |r|
BDBM50416445 O=C(CCc1ccccc1)N1C[C@H]2[C@@H](CNc3nc(cs3)-c3ccccn3)[C@H]2C1 |r|
BDBM50416446 O=C(CCc1ccccc1)N1C[C@H]2[C@H](CNc3nc(cs3)-c3ccccn3)[C@H]2C1 |r|
BDBM50416447 O=C(N1C[C@H]2[C@@H](CNc3nc(cs3)-c3ccccn3)[C@H]2C1)C1(CC1)c1ccccc1 |r|
BDBM50416448 CC(C(=O)N1C[C@H]2[C@@H](CNc3nc(cs3)-c3ccccn3)[C@H]2C1)c1ccccc1 |r|
BDBM50416449 O=C(Cc1ccccc1)N1C[C@H]2[C@@H](CNc3nc(cs3)-c3ccccn3)[C@H]2C1 |r|
BDBM50416450 O=C(Cc1ccccc1)N1C[C@H]2[C@H](CNc3nc(cs3)-c3ccccn3)[C@H]2C1 |r|
BDBM50416451 O=C(N1C[C@H]2[C@@H](CNc3nc(cs3)-c3ccccn3)[C@H]2C1)c1ccncc1 |r|
BDBM50416452 O=C(N1C[C@H]2[C@@H](CNc3nc(cs3)-c3ccccn3)[C@H]2C1)c1cccnc1 |r|
BDBM50416453 Fc1cc(F)cc(c1)C(=O)N1C[C@H]2[C@@H](CNc3nc(cs3)-c3ccccn3)[C@H]2C1 |r|
BDBM50416454 Fc1cccc(c1)C(=O)N1C[C@H]2[C@@H](CNc3nc(cs3)-c3ccccn3)[C@H]2C1 |r|
BDBM50416455 O=C(N1C[C@H]2[C@@H](CNc3nc(cs3)-c3ccccn3)[C@H]2C1)c1ccccc1 |r|
BDBM50416456 O=C(N1C[C@H]2[C@H](CNc3nc(cs3)-c3ccccn3)[C@H]2C1)c1ccccc1 |r|
BDBM50416457 CC(C)C(=O)N1C[C@H]2[C@@H](CNc3nc(cs3)-c3ccccn3)[C@H]2C1 |r|
BDBM50416458 CC(=O)N1C[C@H]2[C@@H](CNc3nc(cs3)-c3ccccn3)[C@H]2C1 |r|
BDBM50416459 FC(F)(F)c1ccc(Nc2nc(cs2)-c2ccccn2)cc1
BDBM50416460 Fc1cc(F)cc(CN2C[C@H]3[C@@H](CNc4nc(cs4)-c4ccccn4)[C@H]3C2)c1 |r|
BDBM50416440 C(Nc1nc(cs1)-c1ccccn1)[C@H]1[C@@H]2CNC[C@H]12 |r|
BDBM50423655 [#7]\[#6](-[#7])=[#7]\[#6]-[#6]-[#6]-[#6@@H](-[#7]-[#6](=O)-[#6]C1([#6]-[#6](=O)-[#7]-2-[#6]-[#6]-[#7](-[#6]-[#6]-2)-[#6]-2-c3ccccc3-[#7]-[#6](=O)-c3ccccc-23)[#6]-[#6]-[#6]-[#6]1)-[#6](=O)-[#7]-[#6]-[#6]-n1c(=O)n(-c2ccccc2)n(-c2ccccc2)c1=O |r|
BDBM50441962 [#6]-[#6]-[#6]-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#7])=O)-[#7]-[#6](=O)-[#6@@H](-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccc(-[#8])cc1)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](-[#6])=O)-[#6@@H](-[#6])-[#6]-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#6])-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6@@H](-[#6])-[#8])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-[#6@H]-1-[#6]-[#6]-[#6]-[#6@H]-1-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccc(-[#8])cc1)-[#6](-[#7])=O |r|
BDBM50442562 NCCOCCOCCNC(=O)NC(N)=NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1 |r,w:15.15|
BDBM50442564 NCCOCCOCCNC(=O)CCC(=O)NCCNC(=O)NC(N)=NCCC[C@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(CNC(N)=O)cc1 |r,w:25.25|
BDBM50442565 NCCC(=O)NCCNC(=O)CCC(=O)NCCNC(=O)CCC(=O)NCCNC(=O)NC(N)=NCCC[C@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(CNC(N)=O)cc1 |r,w:34.34|
BDBM50442566 NCCNC(=O)CCC(=O)NCCNC(=O)CCC(=O)NCCNC(=O)NC(N)=NCCC[C@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(CNC(N)=O)cc1 |r,w:29.29|
BDBM50442567 NCCC(=O)NCCNC(=O)CCC(=O)NCCNC(=O)NC(N)=NCCC[C@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(CNC(N)=O)cc1 |r,w:24.24|
BDBM50442571 NCCCOCCOCCOCCNC(=O)CCC(=O)NCCNC(=O)NC(N)=NCCC[C@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(CNC(N)=O)cc1 |r,w:29.29|
BDBM50442573 NCCN(CCNC(=O)CCC(=O)NCCOCCOCCNC(=O)NC(=N)NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(CNC(N)=O)cc1)CCNC(=O)CCC(=O)NCCOCCOCCNC(=O)NC(N)=NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(CNC(N)=O)cc1 |r,w:88.91|
BDBM50442574 [#7]-[#6]-[#6]-[#7](-[#6]-[#6]-[#7]-[#6](=O)-[#6]-[#6]-[#6]-[#6](=O)-[#7]-[#6]-[#6]-[#6]-[#6]-[#7]-[#6](=O)-[#7]-[#6]-c1ccc(-[#6]-[#7]-[#6](=O)-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6](-c2ccccc2)-c2ccccc2)cc1)-[#6]-[#6]-[#7]-[#6](=O)-[#6]-[#6]-[#6]-[#6](=O)-[#7]-[#6]-[#6]-[#6]-[#6]-[#7]-[#6](=O)-[#7]-[#6]-c1ccc(-[#6]-[#7]-[#6](=O)-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6](-c2ccccc2)-c2ccccc2)cc1 |r|
BDBM50442575 NCCN(CCNC(=O)CCC(=O)NCCOCCOCCNC(=O)NC(=N)NCCC[C@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(CNC(N)=O)cc1)CCNC(=O)CCC(=O)NCCOCCOCCNC(=O)NC(N)=NCCC[C@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(CNC(N)=O)cc1 |r,w:88.91|
BDBM50442576 [#7]-[#6]-[#6]-[#7](-[#6]-[#6]-[#7]-[#6](=O)-[#6]-[#6]-[#6](=O)-[#7]-[#6]-[#6](=O)-[#7]-[#6]-[#6]-[#6]-[#6]-[#7]-[#6](=O)-[#7]-[#6]-c1ccc(-[#6]-[#7]-[#6](=O)-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6](-c2ccccc2)-c2ccccc2)cc1)-[#6]-[#6]-[#7]-[#6](=O)-[#6]-[#6]-[#6](=O)-[#7]-[#6]-[#6](=O)-[#7]-[#6]-[#6]-[#6]-[#6]-[#7]-[#6](=O)-[#7]-[#6]-c1ccc(-[#6]-[#7]-[#6](=O)-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6](-c2ccccc2)-c2ccccc2)cc1 |r|
BDBM50442577 NCCN(CCNC(=O)c1ccc(cc1)C(=O)NCCOCCOCCNC(=O)NC(=N)NCCC[C@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1)CCNC(=O)c1ccc(cc1)C(=O)NCCOCCOCCNC(=O)NC(=N)NCCC[C@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1 |r|
BDBM50441953 CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCN=C(N)N)NC(C)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@H]1CCC[C@H]1C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O |r,wU:91.94,87.88,30.39,8.17,2.2,45.46,53.54,61.62,76.77,wD:95.97,106.108,20.28,4.4,62.64,69.70,70.73,(20.13,-29.15,;20.13,-27.61,;21.47,-26.84,;22.8,-27.61,;21.47,-25.3,;20.13,-24.53,;18.8,-25.3,;18.8,-26.84,;17.47,-24.53,;17.47,-22.98,;18.8,-22.21,;20.12,-22.98,;21.47,-22.21,;21.46,-20.67,;22.8,-19.89,;20.11,-19.9,;18.8,-20.68,;16.13,-25.29,;14.79,-24.53,;14.79,-22.98,;13.46,-25.29,;13.46,-26.83,;14.79,-27.6,;16.21,-26.98,;17.23,-28.12,;16.47,-29.46,;14.96,-29.14,;12.13,-24.51,;10.8,-25.29,;10.8,-26.83,;9.46,-24.51,;9.46,-22.97,;10.8,-22.2,;10.8,-20.67,;12.13,-19.89,;12.13,-18.35,;10.8,-17.58,;13.47,-17.58,;8.12,-25.29,;6.78,-24.51,;5.46,-25.28,;6.78,-22.97,;22.8,-24.54,;22.8,-22.99,;24.14,-25.3,;25.47,-24.54,;25.47,-22.99,;26.81,-22.22,;28.14,-22.99,;26.81,-20.68,;26.81,-25.31,;26.81,-26.85,;28.14,-24.54,;29.47,-25.31,;30.8,-24.54,;30.8,-23,;32.14,-22.22,;29.48,-22.23,;29.47,-26.85,;28.14,-27.62,;30.8,-27.62,;30.8,-29.16,;32.14,-29.93,;32.14,-31.47,;33.47,-29.16,;34.81,-29.93,;29.47,-29.93,;28.13,-29.16,;29.47,-31.93,;27.73,-32.93,;26.47,-32.05,;26.6,-30.51,;25.07,-32.7,;27.38,-34.9,;25.89,-35.3,;28.66,-36.44,;30.18,-36.17,;30.87,-34.29,;32.75,-33.61,;33.93,-34.6,;35.38,-34.08,;36.55,-35.07,;38,-34.55,;36.29,-36.59,;31.17,-37.35,;30.64,-38.8,;32.68,-37.09,;33.98,-38.63,;35.5,-38.53,;36.09,-39.95,;34.91,-40.94,;33.6,-40.12,;32.18,-40.69,;30.96,-39.74,;31.95,-42.22,;30.53,-42.8,;29.31,-41.85,;29.53,-40.32,;28.32,-39.38,;26.89,-39.95,;25.67,-39,;24.25,-39.58,;25.89,-37.48,;30.31,-44.32,;28.88,-44.9,;31.52,-45.27,;31.3,-46.8,;29.88,-47.37,;29.66,-48.9,;28.23,-49.47,;28.02,-51,;29.23,-51.95,;29.01,-53.48,;30.65,-51.38,;30.87,-49.85,;32.52,-47.75,;32.31,-49.27,;33.95,-47.17,)|
BDBM50441954 CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCN=C(N)N)NC(C)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O |r,wU:30.39,8.17,2.2,45.46,61.62,76.77,95.96,wD:20.28,4.4,53.54,62.64,69.70,70.73,87.88,106.107,(14.44,-25.37,;14.44,-23.83,;15.77,-23.06,;17.11,-23.83,;15.77,-21.52,;14.44,-20.75,;13.11,-21.52,;13.11,-23.06,;11.77,-20.75,;11.77,-19.21,;13.11,-18.44,;14.42,-19.22,;15.77,-18.45,;15.77,-16.9,;17.11,-16.13,;14.42,-16.14,;13.11,-16.91,;10.44,-21.52,;9.1,-20.75,;9.1,-19.21,;7.77,-21.52,;7.77,-23.06,;9.1,-23.83,;10.52,-23.21,;11.55,-24.35,;10.78,-25.69,;9.27,-25.37,;6.44,-20.75,;5.1,-21.52,;5.1,-23.06,;3.77,-20.75,;3.77,-19.21,;5.1,-18.44,;5.1,-16.9,;6.44,-16.13,;6.44,-14.59,;5.1,-13.82,;7.77,-13.82,;2.43,-21.52,;1.11,-20.75,;-.23,-21.52,;1.11,-19.21,;17.11,-20.75,;17.11,-19.21,;18.44,-21.52,;19.77,-20.75,;19.77,-19.21,;21.11,-18.44,;22.44,-19.21,;21.11,-16.9,;21.11,-21.52,;21.11,-23.06,;22.44,-20.75,;23.78,-21.52,;23.78,-23.06,;25.11,-23.83,;25.11,-25.37,;26.44,-23.06,;25.11,-20.75,;25.11,-19.21,;26.44,-21.52,;27.78,-20.75,;27.78,-19.21,;29.11,-18.44,;26.44,-18.44,;26.44,-16.9,;29.11,-21.52,;29.11,-23.06,;30.45,-20.75,;31.78,-21.52,;31.78,-23.06,;30.45,-23.83,;33.11,-23.83,;33.11,-20.75,;33.11,-19.21,;34.45,-21.52,;35.78,-20.75,;35.78,-19.21,;37.11,-18.44,;37.11,-16.9,;38.44,-16.13,;38.44,-14.59,;37.11,-13.82,;39.78,-13.82,;37.11,-21.52,;37.11,-23.06,;38.44,-20.75,;39.78,-21.52,;39.78,-23.06,;41.11,-23.83,;41.11,-25.37,;42.45,-23.06,;41.11,-20.75,;41.11,-19.21,;42.45,-21.52,;43.78,-20.75,;43.78,-19.21,;45.11,-18.44,;45.11,-16.9,;46.45,-16.13,;46.45,-14.59,;45.11,-13.82,;47.78,-13.82,;45.11,-21.52,;45.11,-23.06,;46.45,-20.75,;47.78,-21.52,;47.78,-23.06,;49.12,-23.83,;50.45,-23.06,;51.78,-23.83,;51.78,-25.37,;53.12,-26.14,;50.45,-26.14,;49.12,-25.37,;49.12,-20.75,;50.45,-21.52,;49.12,-19.21,)|
BDBM50441955 CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCN=C(N)N)NC(C)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O |r,wU:30.39,8.17,2.2,45.46,61.62,76.77,96.97,wD:20.28,4.4,53.54,62.64,69.70,70.73,87.88,107.108,(19.2,-17.88,;19.2,-16.34,;20.54,-15.57,;21.87,-16.34,;20.54,-14.03,;19.2,-13.26,;17.86,-14.03,;17.86,-15.57,;16.54,-13.26,;16.54,-11.72,;17.86,-10.95,;19.2,-11.72,;20.54,-10.95,;20.54,-9.41,;21.87,-8.64,;19.2,-8.64,;17.86,-9.41,;15.2,-14.03,;13.87,-13.26,;13.87,-11.72,;12.53,-14.03,;12.53,-15.57,;13.87,-16.34,;15.27,-15.72,;16.3,-16.86,;15.53,-18.2,;14.03,-17.88,;11.2,-13.26,;9.87,-14.03,;9.87,-15.57,;8.53,-13.26,;8.53,-11.72,;9.87,-10.95,;9.87,-9.41,;11.2,-8.64,;11.2,-7.1,;9.87,-6.33,;12.53,-6.33,;7.2,-14.03,;5.87,-13.27,;4.53,-14.04,;5.86,-11.73,;21.87,-13.26,;21.87,-11.72,;23.2,-14.03,;24.53,-13.26,;24.53,-11.72,;25.87,-10.95,;27.21,-11.72,;25.87,-9.41,;25.87,-14.03,;25.87,-15.57,;27.21,-13.26,;28.54,-14.03,;28.54,-15.57,;29.87,-16.34,;29.87,-17.88,;31.2,-15.57,;29.87,-13.26,;29.87,-11.72,;31.2,-14.03,;32.54,-13.26,;32.54,-11.72,;33.88,-10.95,;31.2,-10.95,;31.2,-9.41,;33.88,-14.03,;33.88,-15.57,;35.2,-13.26,;36.54,-14.03,;36.54,-15.57,;35.2,-16.34,;37.87,-16.34,;37.87,-13.26,;37.87,-11.72,;39.21,-14.03,;40.54,-13.26,;40.54,-11.72,;41.87,-10.95,;41.87,-9.41,;43.21,-8.64,;43.21,-7.1,;41.87,-6.33,;44.54,-6.33,;41.87,-14.03,;41.87,-15.57,;43.21,-13.26,;44.54,-14.03,;44.54,-15.57,;45.88,-16.34,;45.88,-17.88,;44.54,-18.65,;47.21,-18.65,;45.88,-13.26,;45.88,-11.72,;47.21,-14.03,;48.54,-13.26,;48.54,-11.72,;49.88,-10.95,;49.88,-9.41,;51.21,-8.64,;51.21,-7.1,;49.88,-6.33,;52.54,-6.33,;49.88,-14.03,;49.88,-15.57,;51.21,-13.26,;52.54,-14.03,;52.54,-15.57,;53.87,-16.34,;55.21,-15.57,;56.55,-16.34,;56.55,-17.88,;57.88,-18.65,;55.21,-18.65,;53.87,-17.88,;53.88,-13.26,;55.21,-14.03,;53.88,-11.72,)|
BDBM50441963 [#6]-[#6]-[#6]-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#7])=O)-[#7]-[#6](=O)-[#6@@H](-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccc(-[#8])cc1)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]-[#7]-[#6](-[#7])=[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](-[#6])=O)-[#6@@H](-[#6])-[#6]-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#6])-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6@@H](-[#6])-[#8])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#7]-[#6](-[#7])=[#7])-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6@H]-1-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#7]-[#6](-[#7])=[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccc(-[#8])cc1)-[#6](-[#7])=O |r|
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BDBM50441969 CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCN=C(N)N)NC(C)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@H]1CC[C@H]1C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O |r,wU:87.88,30.39,8.17,2.2,45.46,61.62,69.70,94.96,90.93,wD:20.28,4.4,53.54,62.64,70.73,76.77,105.107,(16.22,-29.76,;15.45,-28.43,;16.22,-27.09,;17.76,-27.09,;15.45,-25.76,;13.91,-25.76,;13.14,-27.09,;13.91,-28.43,;11.6,-27.09,;10.83,-25.76,;11.6,-24.42,;13.14,-24.42,;13.91,-23.09,;13.14,-21.76,;13.91,-20.42,;11.6,-21.76,;10.83,-23.09,;10.83,-28.43,;9.29,-28.43,;8.52,-27.09,;8.52,-29.76,;9.29,-31.09,;10.83,-31.09,;11.74,-29.84,;13.2,-30.32,;13.2,-31.86,;11.74,-32.34,;6.98,-29.76,;6.21,-31.09,;6.98,-32.43,;4.67,-31.09,;3.9,-29.76,;4.67,-28.43,;3.9,-27.09,;4.67,-25.76,;3.9,-24.42,;2.36,-24.42,;4.67,-23.09,;3.9,-32.43,;2.36,-32.43,;1.59,-33.76,;1.59,-31.09,;16.22,-24.42,;15.45,-23.09,;17.76,-24.42,;18.53,-23.09,;17.76,-21.76,;18.53,-20.42,;20.07,-20.42,;17.76,-19.09,;20.07,-23.09,;20.84,-24.42,;20.84,-21.76,;22.38,-21.76,;23.15,-23.09,;24.69,-23.09,;25.46,-24.42,;25.46,-21.76,;23.15,-20.42,;22.38,-19.09,;24.69,-20.42,;25.46,-19.09,;24.69,-17.76,;25.46,-16.42,;23.15,-17.76,;22.38,-16.42,;27,-19.09,;27.77,-20.42,;27.77,-17.76,;29.31,-17.76,;30.08,-16.42,;31.62,-16.42,;29.31,-15.09,;30.08,-19.09,;29.31,-20.42,;31.62,-19.09,;32.39,-20.42,;31.62,-21.76,;32.39,-23.09,;33.93,-23.09,;34.7,-24.42,;33.93,-25.76,;32.39,-25.76,;34.7,-27.09,;33.93,-20.42,;34.7,-19.09,;34.7,-21.76,;36.24,-21.76,;37.33,-20.67,;38.42,-21.76,;37.33,-22.85,;37.33,-24.39,;36,-25.16,;38.66,-25.16,;39.99,-24.39,;39.99,-22.85,;41.33,-22.07,;41.33,-20.53,;42.67,-19.76,;42.67,-18.22,;41.33,-17.45,;44,-17.45,;41.33,-25.16,;41.33,-26.7,;42.67,-24.39,;44,-25.16,;44,-26.7,;45.33,-27.47,;46.66,-26.7,;48,-27.47,;48,-29.01,;49.34,-29.78,;46.66,-29.78,;45.33,-29.01,;45.33,-24.39,;46.67,-25.16,;45.33,-22.85,)|
BDBM50441970 CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCN=C(N)N)NC(C)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H]1[C@@H]([C@H]1C(=O)OC)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H]1[C@@H]([C@H]1C(=O)OC)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O |r,wU:114.117,82.84,72.73,73.81,30.39,8.17,2.2,45.46,61.62,95.99,wD:103.106,74.77,20.28,4.4,53.54,93.95,94.103,(26.03,-19.12,;26.03,-17.58,;27.36,-16.82,;28.7,-17.58,;27.36,-15.28,;26.03,-14.51,;24.7,-15.28,;24.7,-16.82,;23.37,-14.51,;23.37,-12.97,;24.7,-12.2,;26.04,-12.96,;27.37,-12.2,;27.37,-10.66,;28.7,-9.89,;26.04,-9.88,;24.7,-10.66,;22.03,-15.28,;20.7,-14.51,;20.7,-12.97,;19.37,-15.28,;19.37,-16.82,;20.7,-17.58,;22.12,-16.96,;23.15,-18.1,;22.38,-19.44,;20.86,-19.12,;18.03,-14.51,;16.71,-15.28,;16.71,-16.82,;15.37,-14.51,;15.37,-12.97,;16.71,-12.2,;16.71,-10.66,;18.03,-9.89,;18.03,-8.35,;16.71,-7.58,;19.37,-7.58,;14.04,-15.28,;12.71,-14.51,;11.37,-15.28,;12.71,-12.97,;28.7,-14.51,;28.7,-12.97,;30.03,-15.28,;31.36,-14.51,;31.36,-12.97,;32.7,-12.2,;34.02,-12.97,;32.7,-10.66,;32.7,-15.28,;32.7,-16.82,;34.02,-14.51,;35.36,-15.28,;35.36,-16.82,;36.69,-17.58,;36.69,-19.12,;38.03,-16.82,;36.69,-14.51,;36.69,-12.97,;38.03,-15.28,;39.36,-14.51,;39.36,-12.97,;40.69,-12.2,;40.69,-10.66,;42.02,-9.89,;42.02,-8.35,;40.69,-7.58,;43.35,-7.58,;40.69,-15.28,;40.69,-16.82,;42.02,-14.51,;43.35,-15.28,;44.12,-16.61,;44.89,-15.28,;46.23,-14.51,;46.23,-12.97,;47.55,-15.28,;48.88,-14.51,;44.12,-18.15,;45.45,-18.92,;42.79,-18.92,;42.79,-20.45,;44.12,-21.22,;45.45,-20.45,;46.79,-21.22,;48.11,-20.45,;49.45,-21.22,;49.45,-22.76,;50.78,-20.45,;41.45,-21.22,;40.12,-20.45,;41.45,-22.76,;40.12,-23.53,;39.36,-24.86,;38.58,-23.53,;37.26,-22.76,;37.26,-21.22,;35.92,-23.53,;34.59,-22.77,;39.36,-26.4,;38.03,-27.17,;40.69,-27.17,;40.69,-28.71,;39.36,-29.48,;39.36,-31.01,;38.03,-31.78,;38.03,-33.32,;36.69,-34.09,;35.36,-33.32,;36.69,-35.63,;42.02,-29.48,;43.35,-28.71,;42.02,-31.01,;43.35,-31.78,;44.69,-31.01,;46.02,-31.78,;46.01,-33.33,;47.35,-34.1,;48.7,-33.32,;50.03,-34.09,;48.69,-31.77,;47.35,-31.01,;43.35,-33.32,;42.02,-34.09,;44.69,-34.09,)|
BDBM50441971 CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCN=C(N)N)NC(C)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H]1[C@@H]([C@H]1C(=O)OC)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O |r,wU:89.92,108.110,30.39,8.17,2.2,45.46,61.62,76.77,wD:87.88,88.96,97.99,20.28,4.4,53.54,62.64,69.70,70.73,(22.23,-25.52,;22.23,-23.98,;23.57,-23.21,;24.91,-23.98,;23.57,-21.67,;22.23,-20.9,;20.91,-21.67,;20.91,-23.21,;19.57,-20.9,;19.57,-19.36,;18.24,-18.59,;18.24,-17.05,;16.89,-16.28,;15.55,-17.04,;14.22,-16.27,;15.55,-18.59,;16.89,-19.37,;18.24,-21.67,;18.24,-23.21,;19.57,-23.98,;16.9,-23.98,;16.9,-25.52,;18.24,-26.29,;18.4,-27.82,;19.91,-28.14,;20.68,-26.8,;19.64,-25.66,;15.57,-23.21,;14.24,-23.98,;14.24,-25.52,;12.91,-23.21,;12.91,-21.67,;11.57,-20.9,;11.57,-19.36,;10.24,-18.59,;10.24,-17.05,;8.92,-16.28,;11.57,-16.28,;11.57,-23.98,;10.24,-23.21,;8.92,-23.98,;10.24,-21.67,;24.91,-20.9,;24.91,-19.36,;26.23,-21.67,;27.57,-20.9,;27.57,-19.36,;28.9,-18.59,;30.23,-19.36,;28.9,-17.05,;28.9,-21.67,;28.9,-23.21,;30.23,-20.9,;31.57,-21.67,;31.57,-23.21,;32.9,-23.98,;34.23,-23.21,;32.9,-25.52,;32.9,-20.9,;32.9,-19.36,;34.23,-21.67,;35.57,-20.9,;35.57,-19.36,;36.89,-18.59,;34.23,-18.59,;34.23,-17.05,;36.89,-21.67,;36.89,-23.21,;38.23,-20.9,;39.57,-21.67,;39.57,-23.21,;38.23,-23.98,;40.9,-23.98,;40.9,-20.9,;40.9,-19.36,;42.23,-21.67,;43.56,-20.9,;43.56,-19.36,;44.89,-18.59,;44.89,-17.05,;46.23,-16.28,;46.23,-14.74,;44.89,-13.97,;47.56,-13.97,;44.89,-21.67,;44.89,-23.21,;46.23,-20.9,;47.56,-21.67,;49.1,-21.67,;48.33,-23,;48.33,-24.54,;47,-25.31,;49.67,-25.31,;49.67,-26.85,;50.43,-20.9,;50.43,-19.36,;51.76,-21.67,;53.1,-20.9,;54.43,-21.67,;55.77,-20.9,;57.09,-21.67,;58.43,-20.9,;59.76,-21.67,;59.76,-23.2,;61.09,-20.9,;53.1,-19.36,;51.76,-18.59,;54.43,-18.59,;54.43,-17.05,;53.1,-16.28,;53.1,-14.74,;54.43,-13.97,;54.44,-12.43,;53.09,-11.65,;53.09,-10.11,;51.76,-12.43,;51.75,-13.97,;55.77,-16.28,;57.09,-17.05,;55.77,-14.74,)|
BDBM50442580 NCCOCCOCCNC(=O)NC(N)=NCCC[C@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1 |r,w:15.15|
BDBM50441956 [#6]-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccc(-[#8])cc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#7]-[#6](-[#7])=[#7])-[#6](=O)-[#7]-[#6@H]-1-[#6]-[#6]-[#6]-[#6@H]-1-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccc(-[#8])cc1)-[#6](-[#7])=O |r|
BDBM50441957 [#6]-[#6](-[#6])-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccc(-[#8])cc1)-[#7]-[#6](-[#6])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccc(-[#8])cc1)-[#6](-[#7])=O |r|
BDBM50442543 NCCN(CCNC(=O)c1ccc(cc1)C(=O)NCCOCCOCCNC(=O)NC(=N)NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1)CCNC(=O)c1ccc(cc1)C(=O)NCCOCCOCCNC(=O)NC(=N)NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1 |r|
BDBM50442544 [#7]\[#6](-[#7])=[#7]\[#6]-[#6]-[#8]-[#6]-[#6]-[#8]-[#6]-[#6]-[#7]-[#6](=O)-[#7]-[#6](-[#7])=[#7]-[#6]-[#6]-[#6]-[#6@@H](-[#7]-[#6](=O)-[#6](-c1ccccc1)-c1ccccc1)-[#6](=O)-[#7]-[#6]-c1ccc(-[#8])cc1 |r,w:18.18|
BDBM50441958 C[C@@H](O)[C@H](NC(C)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@H]1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O |r|
BDBM50441959 [#6]-[#6](-[#6])-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6@@H](-[#7]-[#6](-[#6])=O)-[#6@@H](-[#6])-[#8])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccc(-[#8])cc1)-[#6](-[#7])=O |r|
BDBM50441960 [#6]-[#6]-[#6@H](-[#6])-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccc(-[#8])cc1)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](-[#6])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#7])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#7])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#6])-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6@@H](-[#6])-[#8])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-[#6@H]-1-[#6]-[#6]-[#6@H]-1-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccc(-[#8])cc1)-[#6](-[#7])=O |r|
BDBM50441961 [#6]-[#6]-[#6]-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#7])=O)-[#7]-[#6](=O)-[#6@@H](-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccc(-[#8])cc1)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](-[#6])=O)-[#6@@H](-[#6])-[#6]-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#6])-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6@@H](-[#6])-[#8])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-[#6@H]-1-[#6]-[#6]-[#6@H]-1-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccc(-[#8])cc1)-[#6](-[#7])=O |r|
BDBM50442545 CCC(=O)NCCN(CCNC(=O)c1ccc(cc1)C(=O)NCCOCCOCCNC(=O)NC(=N)NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1)CCNC(=O)c1ccc(cc1)C(=O)NCCOCCOCCNC(=O)NC(=N)NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1 |r|
BDBM50442547 NCCN(CCNC(=O)CCC(=O)NCCCCCCNC(=O)NC(=N)NCCC[C@H](NC(=O)CC1(CC(=O)N2CCN(CC2)C2c3ccccc3NC(=O)c3ccccc23)CCCC1)C(=O)NCCn1c(=O)n(-c2ccccc2)n(-c2ccccc2)c1=O)CCNC(=O)CCC(=O)NCCCCCCNC(=O)NC(=N)NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1 |r|
BDBM50442552 NCCN(CCNC(=O)c1ccc(cc1)C(=O)NCCCCNC(=O)NC(=N)NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1)CCNC(=O)c1ccc(cc1)C(=O)NCCCCNC(=O)NC(=N)NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1 |r|
BDBM50442553 NCCN(CCNC(=O)CCCC(=O)NCCOCCOCCNC(=O)NC(N)=NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1)CCNC(=O)CCCC(=O)NCCOCCOCCNC(=O)NC(N)=NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1 |r,w:29.29,86.89|
BDBM50442554 NCCN(CCNC(=O)CCCCC(=O)NCCCCNC(=O)NC(N)=NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1)CCNC(=O)CCCCC(=O)NCCCCNC(=O)NC(N)=NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1 |r,w:26.26,80.83|
BDBM50442556 NCCN(CCNC(=O)CCC(=O)NCCCCCCNC(=O)NC(N)=NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1)CCNC(=O)CCC(=O)NCCCCCCNC(=O)NC(N)=NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1 |r,w:26.26,80.83|
BDBM50442557 NCCN(CCNC(=O)CCC(=O)NCCOCCOCCNC(=O)NC(N)=NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1)CCNC(=O)CCC(=O)NCCOCCOCCNC(=O)NC(N)=NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1 |r,w:28.28,84.87|
BDBM50442559 NCCN(CCNC(=O)CCCC(=O)NC(N)=NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1)CCNC(=O)CCCC(=O)NC(N)=NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1 |r,w:17.17,62.65|
BDBM50449316 CN(C(=O)[C@@H]1CC[C@@H](CC1)N1CCCC1=O)c1ccc(cn1)-c1cc(F)cc(F)c1 |r,wU:4.3,7.10,(22.11,-20.01,;21.36,-21.35,;22.17,-22.67,;21.43,-24.02,;23.71,-22.63,;24.51,-23.94,;26.05,-23.9,;26.78,-22.55,;25.99,-21.23,;24.44,-21.28,;28.33,-22.51,;29.2,-21.24,;30.67,-21.68,;30.71,-23.22,;29.27,-23.73,;28.83,-25.21,;19.83,-21.36,;19.04,-20.03,;17.5,-20.04,;16.74,-21.38,;17.52,-22.7,;19.06,-22.69,;15.2,-21.39,;14.44,-22.73,;12.9,-22.74,;12.14,-24.08,;12.12,-21.42,;12.88,-20.08,;12.1,-18.75,;14.42,-20.06,)|
BDBM50449317 Fc1cc(F)cc(c1)-c1ccc(NC(=O)[C@H]2CC[C@@H](CC2)N2CCCC2=O)nc1 |r,wU:18.22,wD:15.15,(19.4,-21.94,;20.17,-20.6,;19.4,-19.27,;20.17,-17.93,;19.4,-16.6,;21.71,-17.93,;22.48,-19.27,;21.71,-20.6,;24.02,-19.27,;24.79,-17.93,;26.33,-17.93,;27.1,-19.27,;28.64,-19.27,;29.41,-20.6,;28.71,-21.98,;30.94,-20.52,;31.78,-21.81,;33.32,-21.74,;34.02,-20.36,;33.18,-19.07,;31.64,-19.15,;35.56,-20.28,;36.4,-18.99,;37.88,-19.39,;37.97,-20.92,;36.53,-21.48,;36.12,-22.96,;26.33,-20.6,;24.79,-20.6,)|
BDBM50449318 CC(C)N1CCN([C@H]2CC[C@H](CC2)C(=O)Nc2ccc(cn2)-c2cc(F)cc(F)c2)C1=O |r,wU:10.13,7.6,(31.81,-39.8,;32.04,-41.33,;33.45,-41.95,;30.8,-42.22,;30.79,-43.76,;29.33,-44.23,;28.42,-42.98,;26.88,-42.97,;26.11,-44.31,;24.57,-44.3,;23.8,-42.96,;24.58,-41.64,;26.12,-41.64,;22.27,-42.96,;21.5,-41.63,;21.49,-44.29,;19.95,-44.28,;19.18,-45.62,;17.64,-45.61,;16.88,-44.27,;17.65,-42.94,;19.19,-42.95,;15.34,-44.27,;14.57,-42.93,;13.03,-42.93,;12.27,-41.6,;12.26,-44.26,;13.02,-45.6,;12.25,-46.93,;14.56,-45.6,;29.34,-41.74,;28.86,-40.28,)|
BDBM50449319 CN1CCCN([C@H]2CC[C@H](CC2)C(=O)Nc2ccc(cn2)-c2cc(F)cc(F)c2)C1=O |r,wU:9.12,6.5,(29.98,-38.65,;29.2,-39.98,;29.96,-41.32,;29.19,-42.65,;27.65,-42.65,;26.88,-41.31,;25.34,-41.3,;24.57,-42.63,;23.03,-42.62,;22.26,-41.28,;23.04,-39.95,;24.58,-39.96,;20.72,-41.28,;19.96,-39.94,;19.95,-42.61,;18.41,-42.6,;17.63,-43.93,;16.09,-43.92,;15.33,-42.59,;16.1,-41.25,;17.64,-41.26,;13.79,-42.58,;13.02,-41.24,;11.48,-41.23,;10.72,-39.89,;10.71,-42.56,;11.47,-43.9,;10.7,-45.23,;13.01,-43.9,;27.66,-39.97,;26.9,-38.63,)|
BDBM50449320 CCN1CCN([C@H]2CC[C@H](CC2)C(=O)Nc2ccc(cn2)-c2cc(F)cc(F)c2)C1=O |r,wU:9.12,6.5,(35.65,-39.74,;34.26,-39.09,;33,-39.97,;32.97,-41.51,;31.5,-41.95,;30.61,-40.69,;29.07,-40.67,;28.27,-41.99,;26.73,-41.96,;25.99,-40.61,;26.78,-39.29,;28.32,-39.31,;24.45,-40.58,;23.7,-39.23,;23.65,-41.9,;22.11,-41.87,;21.32,-43.18,;19.78,-43.15,;19.03,-41.81,;19.83,-40.49,;21.37,-40.52,;17.49,-41.78,;16.75,-40.43,;15.21,-40.4,;14.47,-39.05,;14.41,-41.72,;15.16,-43.07,;14.36,-44.39,;16.7,-43.1,;31.54,-39.46,;31.09,-38,)|
BDBM50449321 Fc1cc(F)cc(c1)-c1ccc(NC(=O)[C@@H]2CC[C@@H](CC2)N2CCN(C3CC3)C2=O)nc1 |r,wU:15.15,18.22,(10.52,-42.21,;11.28,-43.54,;10.49,-44.87,;11.25,-46.21,;10.46,-47.53,;12.79,-46.23,;13.57,-44.9,;12.82,-43.56,;15.11,-44.92,;15.87,-46.27,;17.41,-46.28,;18.19,-44.96,;19.73,-44.98,;20.52,-43.65,;19.76,-42.31,;22.06,-43.67,;22.81,-45.01,;24.35,-45.03,;25.14,-43.7,;24.38,-42.36,;22.84,-42.35,;26.68,-43.72,;27.57,-44.98,;29.04,-44.52,;29.05,-42.98,;30.31,-42.08,;30.95,-40.69,;31.84,-41.94,;27.59,-42.49,;27.14,-41.02,;17.44,-43.61,;15.9,-43.6,)|
BDBM50449322 Fc1cc(F)cc(c1)-c1ccc(NC(=O)[C@@H]2CC[C@@H](CC2)N2CCCNC2=O)nc1 |r,wU:15.15,18.22,(20.67,-38.97,;21.44,-40.29,;20.68,-41.63,;21.45,-42.96,;20.69,-44.3,;22.99,-42.96,;23.75,-41.62,;22.98,-40.29,;25.29,-41.61,;26.07,-42.95,;27.6,-42.94,;28.37,-41.6,;29.91,-41.6,;30.67,-40.26,;29.9,-38.94,;32.22,-40.25,;32.99,-41.59,;34.53,-41.58,;35.29,-40.24,;34.52,-38.92,;32.98,-38.92,;36.83,-40.24,;37.6,-41.57,;39.14,-41.56,;39.91,-40.23,;39.13,-38.9,;37.6,-38.91,;36.82,-37.58,;27.6,-40.27,;26.06,-40.28,)|
BDBM50449323 Fc1cc(F)cc(c1)-c1ccc(NC(=O)[C@@H]2CC[C@@H](CC2)N2CCCC2=O)nc1 |r,wU:18.22,15.15,(5.33,-14.93,;6.16,-13.64,;5.46,-12.27,;6.29,-10.97,;5.58,-9.6,;7.83,-11.04,;8.53,-12.41,;7.7,-13.71,;10.07,-12.49,;10.78,-13.86,;12.32,-13.93,;13.15,-12.63,;14.69,-12.71,;15.52,-11.41,;14.88,-10,;17.05,-11.56,;17.68,-12.97,;19.22,-13.12,;20.12,-11.88,;19.48,-10.46,;17.95,-10.32,;21.65,-12.02,;22.42,-13.36,;23.92,-13.03,;24.08,-11.5,;22.67,-10.88,;22.34,-9.37,;12.45,-11.26,;10.91,-11.19,)|
BDBM50449324 Fc1cc(F)cc(c1)-c1ccc(NC(=O)[C@@H]2CC[C@@H](CC2)N2CCOC2=O)nc1 |r,wU:15.15,18.22,(16.56,-26.33,;17.33,-24.99,;16.56,-23.66,;17.33,-22.33,;16.56,-21,;18.87,-22.33,;19.64,-23.66,;18.87,-24.99,;21.18,-23.66,;21.95,-22.33,;23.49,-22.33,;24.26,-23.66,;25.8,-23.66,;26.57,-24.99,;25.8,-26.33,;28.11,-24.99,;28.88,-26.33,;30.42,-26.33,;31.19,-24.99,;30.42,-23.66,;28.88,-23.66,;32.73,-24.99,;33.63,-26.24,;35.1,-25.76,;35.1,-24.22,;33.63,-23.75,;33.15,-22.29,;23.49,-24.99,;21.95,-24.99,)|
BDBM50449325 C[C@H]1CN([C@H]2CC[C@H](CC2)C(=O)Nc2ccc(cn2)-c2cc(F)cc(F)c2)C(=O)O1 |r,wU:7.10,4.3,wD:1.0,(24.06,-26.45,;22.81,-27.35,;21.34,-26.87,;20.44,-28.12,;18.9,-28.12,;18.13,-29.45,;16.59,-29.45,;15.82,-28.12,;16.59,-26.79,;18.13,-26.79,;14.28,-28.12,;13.51,-26.79,;13.51,-29.45,;11.97,-29.45,;11.2,-28.12,;9.66,-28.12,;8.89,-29.45,;9.66,-30.79,;11.2,-30.79,;7.35,-29.45,;6.58,-28.12,;5.04,-28.12,;4.27,-26.79,;4.27,-29.45,;5.04,-30.79,;4.27,-32.12,;6.58,-30.79,;21.34,-29.37,;20.87,-30.83,;22.81,-28.89,)|
BDBM50449326 Fc1cc(F)cc(c1)-c1cnc(NC(=O)[C@@H]2CC[C@@H](CC2)N2CCCC2=O)cn1 |r,wU:15.15,18.22,(14.68,-24.91,;15.45,-23.57,;14.68,-22.24,;15.45,-20.91,;14.68,-19.58,;16.99,-20.91,;17.76,-22.24,;16.99,-23.57,;19.3,-22.24,;20.08,-23.57,;21.62,-23.57,;22.39,-22.24,;23.93,-22.24,;24.7,-23.57,;24,-24.95,;26.24,-23.5,;27.07,-24.79,;28.61,-24.71,;29.31,-23.33,;28.48,-22.04,;26.93,-22.13,;30.85,-23.26,;31.69,-21.96,;33.18,-22.36,;33.26,-23.9,;31.82,-24.46,;31.42,-25.94,;21.62,-20.91,;20.08,-20.91,)|
BDBM50449327 Fc1cc(F)cc(c1)-c1cnc(NC(=O)[C@@H]2CC[C@@H](CC2)N2CCCC2=O)nc1 |r,wU:15.15,18.22,(18.08,-29.04,;18.85,-27.7,;18.08,-26.37,;18.85,-25.03,;18.08,-23.7,;20.39,-25.03,;21.16,-26.37,;20.39,-27.7,;22.7,-26.37,;23.47,-25.03,;25.01,-25.03,;25.78,-26.37,;27.32,-26.37,;28.09,-27.7,;27.39,-29.08,;29.63,-27.62,;30.46,-28.91,;32,-28.84,;32.7,-27.46,;31.87,-26.17,;30.32,-26.25,;34.24,-27.38,;35.09,-26.08,;36.57,-26.49,;36.65,-28.02,;35.21,-28.58,;34.81,-30.07,;25.01,-27.7,;23.47,-27.7,)|
BDBM50449328 CN1CCN([C@H]2CC[C@H](CC2)C(=O)Nc2ccc(cn2)-c2cc(F)cc(F)c2)C1=O |r,wU:8.11,5.4,(36.9,-26.87,;35.62,-27.72,;35.55,-29.25,;34.07,-29.66,;33.22,-28.38,;31.68,-28.31,;30.86,-29.61,;29.32,-29.55,;28.61,-28.18,;29.44,-26.88,;30.97,-26.95,;27.07,-28.11,;26.36,-26.74,;26.25,-29.41,;24.71,-29.34,;23.88,-30.64,;22.35,-30.57,;21.64,-29.21,;22.47,-27.91,;24,-27.97,;20.1,-29.14,;19.39,-27.77,;17.86,-27.7,;17.15,-26.34,;17.03,-29,;17.74,-30.37,;16.91,-31.66,;19.27,-30.44,;34.18,-27.18,;33.76,-25.7,)|
BDBM50449329 Fc1cc(F)cc(c1)-c1ccc(NC(=O)[C@@H]2CC[C@@H](CC2)N2CCNC2=O)nc1 |r,wU:15.15,18.22,(13.81,-25.74,;14.58,-27.07,;13.81,-28.41,;14.58,-29.74,;13.81,-31.07,;16.12,-29.74,;16.89,-28.41,;16.12,-27.07,;18.43,-28.41,;19.2,-29.74,;20.74,-29.74,;21.51,-28.41,;23.05,-28.41,;23.82,-27.07,;23.05,-25.74,;25.36,-27.07,;26.13,-28.41,;27.67,-28.41,;28.44,-27.07,;27.67,-25.74,;26.13,-25.74,;29.98,-27.07,;30.88,-28.32,;32.35,-27.84,;32.35,-26.3,;30.88,-25.82,;30.41,-24.37,;20.74,-27.07,;19.2,-27.07,)|
BDBM50449330 CC(C)(C)C1CN([C@H]2CC[C@H](CC2)C(=O)Nc2ccc(cn2)-c2cc(F)cc(F)c2)C(=O)O1 |r,wU:10.13,7.6,(33.32,-25.01,;31.91,-24.38,;31.75,-22.85,;33.24,-23.6,;30.67,-25.29,;29.2,-24.81,;28.29,-26.06,;26.75,-26.06,;25.98,-27.38,;24.44,-27.38,;23.67,-26.06,;24.44,-24.72,;25.98,-24.72,;22.13,-26.06,;21.36,-24.72,;21.36,-27.38,;19.82,-27.38,;19.05,-28.72,;17.51,-28.72,;16.74,-27.38,;17.51,-26.06,;19.05,-26.06,;15.2,-27.38,;14.43,-26.06,;12.89,-26.06,;12.12,-24.72,;12.12,-27.38,;12.89,-28.72,;12.12,-30.06,;14.43,-28.72,;29.2,-27.3,;28.72,-28.76,;30.67,-26.83,)|
BDBM50449331 C[C@@H]1CN([C@H]2CC[C@H](CC2)C(=O)Nc2ccc(cn2)-c2cc(F)cc(F)c2)C(=O)O1 |r,wU:7.10,1.0,4.3,(23.3,-26.17,;22.05,-27.08,;20.58,-26.6,;19.68,-27.85,;18.14,-27.85,;17.37,-29.19,;15.83,-29.19,;15.06,-27.85,;15.83,-26.51,;17.37,-26.51,;13.52,-27.85,;12.75,-26.51,;12.75,-29.19,;11.21,-29.19,;10.44,-27.85,;8.9,-27.85,;8.13,-29.19,;8.9,-30.51,;10.44,-30.51,;6.59,-29.19,;5.82,-27.85,;4.28,-27.85,;3.51,-26.51,;3.51,-29.19,;4.28,-30.51,;3.51,-31.85,;5.82,-30.51,;20.58,-29.09,;20.11,-30.57,;22.05,-28.62,)|
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