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956 SMILES Strings for Melanocortin receptor 3 (MC3R)

Compound NameSMILES String
BDBM82407 CSCC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C)C(=O)NCC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r,wU:64.66,86.90,42.43,8.8,wD:78.82,53.55,97.101,32.32,4.4,12.12,(-14.04,.99,;-14.78,2.35,;-14.02,3.65,;-14.77,4.99,;-14.01,6.33,;-14.73,7.71,;-16.25,7.73,;-17.05,6.43,;-17.03,9.09,;-18.55,9.11,;-19.31,10.42,;-18.57,11.8,;-20.87,10.42,;-21.61,11.75,;-21.65,9.02,;-20.87,7.69,;-21.61,6.34,;-20.83,5.03,;-19.26,5.05,;-18.53,3.73,;-18.55,6.43,;-19.33,7.69,;-16.24,10.4,;-17.01,11.75,;-14.7,10.37,;-12.42,6.34,;-11.64,7.66,;-11.62,5.05,;-10.08,5.12,;-9.32,3.78,;-10.05,2.47,;-7.8,3.75,;-7.06,2.38,;-7.8,1.04,;-7.06,-.28,;-5.54,-.43,;-5.12,-1.9,;-6.42,-2.71,;-7.65,-1.76,;-5.47,2.4,;-4.71,3.73,;-4.67,1.11,;-3.12,1.18,;-2.36,2.54,;-.86,2.59,;-.16,3.96,;1.39,3.98,;2.27,2.71,;1.55,1.33,;-.01,1.31,;-2.31,-.1,;-3.02,-1.45,;-.79,-.03,;.06,-1.28,;-.63,-2.68,;.27,-3.99,;-.44,-5.36,;.51,-6.64,;-.15,-7.98,;.77,-9.26,;-1.62,-8.21,;1.63,-1.23,;2.31,.16,;2.5,-2.47,;3.95,-2.35,;4.73,-.92,;6.14,-.69,;7.25,-1.9,;8.72,-1.33,;8.53,.26,;9.57,1.37,;9.12,2.85,;7.6,3.13,;6.56,2.06,;7.01,.55,;4.9,-3.56,;4.09,-5.13,;6.39,-3.25,;7.42,-4.37,;6.97,-5.86,;8.03,-6.98,;9.51,-6.64,;7.53,-8.52,;8.96,-4.04,;9.41,-2.59,;10,-5.13,;11.45,-4.77,;11.9,-3.27,;13.45,-2.92,;13.89,-1.45,;15.42,-1.18,;15.91,.29,;17.43,.59,;14.96,1.43,;12.56,-5.88,;12.12,-7.38,;14.04,-5.51,;15.11,-6.64,;14.7,-8.12,;15.75,-9.23,;17.27,-8.9,;18.36,-10.04,;17.91,-11.48,;16.39,-11.8,;15.32,-10.7,;16.6,-6.26,;17.64,-7.34,;17.03,-4.8,)|
BDBM82408 CSCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](N)CO)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(C)C)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(N)=O)C(=O)NCC(=O)N[C@@H](C)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(O)=O |r|
BDBM82409 CSCC[C@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](C)N)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(O)=O)C(O)=O |wU:122.125,111.113,101.102,167.175,4.4,51.57,wD:133.136,151.156,160.167,92.93,171.178,180.187,8.15,19.28,31.31,42.49,59.66,68.75,77.84,86.89,(-17.08,12.08,;-16.31,10.8,;-14.72,10.87,;-13.83,9.69,;-12.36,9.77,;-11.38,8.47,;-12.05,7.07,;-13.66,6.93,;-11.16,5.8,;-9.57,5.94,;-8.95,7.46,;-7.38,7.6,;-6.78,9.07,;-5.24,9.24,;-4.69,10.8,;-4.31,8.11,;-11.74,4.38,;-10.9,3.13,;-9.36,3.61,;-11.64,1.8,;-10.75,.55,;-9.21,.58,;-8.3,-.7,;-6.71,-.5,;-6.09,.82,;-4.55,.91,;-7.02,2.04,;-8.52,1.97,;-13.13,1.68,;-13.83,.34,;-15.23,.7,;-12.97,-.99,;-11.52,-1.13,;-11.11,-2.53,;-12.44,-3.44,;-13.66,-2.38,;-15.08,-2.74,;-16.05,-1.73,;-15.44,-4.19,;-16.89,-4.55,;-17.3,-5.94,;-18.84,-6.35,;-16.14,-6.93,;-14.6,-6.57,;-13.54,-7.63,;-12.12,-7.24,;-11.11,-8.3,;-11.67,-5.65,;-16.55,-8.52,;-15.49,-9.57,;-13.98,-9.24,;-15.85,-11.11,;-17.39,-10.97,;-18.21,-12.1,;-17.78,-13.5,;-19.82,-11.88,;-14.6,-12.08,;-14.99,-13.5,;-16.53,-14.02,;-13.83,-14.46,;-12.36,-14.02,;-12.05,-12.49,;-10.61,-11.96,;-10.32,-10.46,;-8.8,-9.93,;-14.22,-16.07,;-13.06,-17.1,;-10.82,-17.1,;-13.98,-18.23,;-13.47,-19.68,;-12,-19.97,;-11.5,-21.39,;-9.96,-21.63,;-9.48,-23.04,;-15.49,-17.99,;-16.53,-19.05,;-17.95,-18.69,;-16.05,-20.47,;-14.6,-20.88,;-14.24,-22.35,;-12.82,-22.68,;-12.56,-24.18,;-11.67,-21.63,;-17.25,-21.58,;-16.91,-23.04,;-15.35,-23.93,;-18.16,-23.79,;-18.16,-25.07,;-19.39,-23.04,;-11.67,11.04,;-10.1,11.19,;-12.56,12.27,;-12.05,13.69,;-10.46,13.9,;-9.55,12.65,;-8.08,12.92,;-7.31,11.72,;-7.41,14.39,;-12.92,14.82,;-14.43,14.72,;-12.36,16.21,;-13.28,17.46,;-14.75,17.3,;-15.71,18.43,;-15.13,19.97,;-16.38,20.95,;-17.58,20.11,;-17.25,18.57,;-12.56,18.79,;-13.47,20.38,;-11.02,18.57,;-10.2,19.85,;-9.84,21.46,;-10.97,22.4,;-12.36,21.99,;-13.66,23.12,;-13.33,24.56,;-11.86,25.07,;-10.66,24.08,;-8.59,19.82,;-7.53,21.63,;-7.89,18.43,;-6.47,18.43,;-5.58,19.82,;-3.92,19.77,;-3.13,21.1,;-1.59,21.07,;-.75,22.35,;.77,22.16,;-1.4,23.79,;-5.58,17.1,;-6.35,15.71,;-4.09,16.98,;-2.77,16.36,;-2.69,14.79,;-1.59,14.02,;-.12,14.65,;1.03,13.5,;.24,12.1,;.65,10.61,;-.22,9.43,;-1.76,9.79,;-2.29,11.33,;-1.32,12.58,;-1.59,17.1,;-1.47,18.76,;-.36,16.21,;.91,16.77,;1.18,18.31,;-.12,19.15,;2.6,18.79,;3.8,17.8,;3.49,16.26,;4.62,15.35,;5.24,18.38,;5.36,19.85,;6.42,17.51,;6.42,16.07,;7.84,15.49,;8.73,16.89,;7.99,18.02,;8.47,19.53,;7.67,20.47,;9.79,20.04,;10.15,21.63,;11.76,21.65,;12.29,20.23,;11.26,19.29,;11.4,17.73,;10.68,16.5,;12.8,17.1,;12.87,15.56,;11.69,14.65,;11.81,13.04,;10.63,12.22,;10.75,10.68,;9.6,9.77,;14.34,14.96,;14.63,13.04,;15.37,16.19,;16.84,15.85,;17.32,14.39,;18.88,14.12,;19.82,15.3,;19.29,12.63,;17.87,16.98,;19.36,16.74,;17.32,18.43,)|
BDBM82410 CCC(N)C(=O)OC(=O)[C@H](C)N(C(=O)[C@@H](CCCCN)NC(=O)[C@@H](N)Cc1ccccc1)C(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H](N)CC(C(O)=O)S(C)(=O)=O |r|
BDBM82411 CCCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(C)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(C)C)C(N)=O |r,wU:66.68,55.56,45.45,111.116,4.4,14.23,wD:77.79,95.99,107.113,36.36,8.10,26.29,(-7.66,4.36,;-8.98,3.65,;-9.15,2.12,;-10.5,1.37,;-10.5,-.23,;-11.93,-.94,;-13.21,-.15,;-13.17,1.41,;-14.6,-.83,;-14.64,-2.37,;-13.43,-3.18,;-15.78,-.09,;-17.19,-.68,;-17.34,-2.22,;-18.55,.02,;-18.4,1.67,;-17.08,2.44,;-17.08,3.97,;-15.61,4.72,;-14.35,3.82,;-13,4.55,;-14.45,2.26,;-15.78,1.52,;-19.9,-.62,;-21.14,.17,;-21.14,1.73,;-22.53,-.62,;-22.53,-2.12,;-21.33,-2.88,;-23.81,.17,;-25.13,-.41,;-26.27,.45,;-25.2,-1.9,;-9.26,-1,;-9.3,-2.5,;-7.94,-.34,;-6.59,-1.15,;-6.59,-2.71,;-7.94,-3.46,;-7.94,-5,;-9.3,-5.6,;-6.63,-5.81,;-5.24,-.34,;-5.2,1.15,;-3.86,-1.11,;-2.57,-.23,;-2.57,1.26,;-1.19,2.05,;.1,1.47,;1.29,2.58,;.52,3.87,;-.97,3.65,;-1.19,-1,;-1.19,-2.5,;.1,-.3,;1.55,-1.15,;1.55,-2.65,;2.79,-3.4,;2.79,-4.89,;4.22,-5.7,;5.56,-4.89,;5.56,-3.4,;4.22,-2.65,;2.79,-.34,;2.79,1.2,;4.22,-1,;5.33,-.09,;5.29,1.47,;6.63,2.26,;6.53,3.82,;7.81,4.72,;7.81,6.13,;9.13,7.03,;6.46,6.92,;6.85,-.73,;7,-2.37,;8,.13,;9.35,-.41,;9.69,-2.07,;10.95,-2.71,;12.29,-1.9,;13.51,-2.99,;12.83,-4.36,;13.43,-5.81,;12.55,-7.03,;10.95,-6.77,;10.33,-5.43,;11.29,-4.21,;10.69,.41,;10.48,2.16,;12.04,-.41,;13.38,.3,;14.58,-.51,;14.47,-2.03,;15.99,.17,;17.25,-.68,;17.25,-2.26,;18.49,-3.08,;18.45,-4.57,;19.73,-5.55,;19.69,-7.03,;18.66,.02,;18.77,1.52,;20.01,-.68,;20.09,-2.22,;21.72,-2.54,;22.29,-1.11,;21.5,-.09,;21.78,1.47,;20.65,2.84,;23.32,1.64,;23.83,2.97,;23,4.19,;23.6,5.58,;21.5,4.04,;25.41,3.12,;26.03,4.44,;26.27,1.94,)|
BDBM82412 CSCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(C)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(C)C)C(O)=O |r,wU:77.79,95.99,55.56,45.45,107.113,111.116,36.36,8.10,26.29,wD:66.68,4.4,14.23,(4.17,6.3,;2.81,7.07,;2.79,8.6,;1.44,9.35,;1.43,10.91,;.08,11.65,;-1.2,10.85,;-1.19,9.3,;-2.57,11.58,;-2.58,13.12,;-1.27,13.93,;-3.88,10.81,;-5.23,11.53,;-5.25,13.09,;-6.55,10.78,;-6.53,9.22,;-5.21,8.47,;-5.18,6.95,;-3.83,6.18,;-2.5,6.96,;-1.17,6.19,;-2.52,8.49,;-3.85,9.24,;-7.89,11.52,;-9.24,10.76,;-9.24,9.21,;-10.56,11.52,;-10.56,13.06,;-9.24,13.83,;-11.9,10.76,;-13.06,11.78,;-12.77,13.28,;-14.54,11.28,;2.74,11.66,;2.73,13.2,;4.11,10.93,;5.42,11.73,;5.37,13.25,;6.69,14.07,;6.66,15.59,;7.97,16.43,;5.31,16.38,;6.75,10.99,;6.8,9.45,;8.07,11.79,;9.4,11.04,;10.75,11.82,;12.08,11.07,;12.26,9.51,;13.8,9.22,;14.54,10.57,;13.48,11.71,;9.45,9.48,;8.13,8.7,;10.8,8.73,;10.81,7.22,;12.14,6.43,;12.18,4.93,;13.56,4.19,;13.59,2.65,;12.24,1.85,;10.91,2.58,;10.88,4.14,;9.51,6.4,;8.15,7.16,;9.51,4.88,;8.2,4.09,;6.87,4.84,;5.55,4.07,;4.2,4.84,;2.87,4.06,;2.89,2.52,;4.22,1.76,;1.57,1.73,;8.2,2.55,;9.53,1.8,;6.88,1.76,;6.9,.26,;8.21,-.47,;8.26,-1.99,;6.93,-2.74,;7.22,-4.24,;8.71,-4.44,;9.56,-5.73,;11.13,-5.62,;11.81,-4.2,;10.96,-2.92,;9.37,-3.05,;5.6,-.51,;4.27,.18,;5.62,-2.07,;4.3,-2.86,;4.33,-4.4,;5.7,-5.13,;3,-5.2,;3.06,-6.72,;4.44,-7.46,;4.52,-9,;5.89,-9.71,;5.95,-11.25,;7.33,-11.95,;1.8,-7.56,;.42,-6.87,;1.86,-9.11,;3.11,-9.75,;2.62,-11.29,;1.16,-11.2,;.42,-9.99,;.48,-11.68,;1.99,-12.48,;-.77,-12.51,;-.72,-14.07,;.61,-14.76,;.69,-16.32,;1.93,-13.94,;-2.02,-14.89,;-1.94,-16.43,;-3.35,-14.2,)|
BDBM82413 CSCC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C)C(=O)NCC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(O)=O |r,wU:64.66,86.90,42.43,8.8,wD:78.82,53.55,97.101,32.32,4.4,12.12,(-14.05,.99,;-14.79,2.35,;-14.03,3.65,;-14.77,5,;-14.01,6.33,;-14.74,7.71,;-16.26,7.73,;-17.05,6.43,;-17.04,9.09,;-18.56,9.11,;-19.32,10.42,;-18.57,11.81,;-20.87,10.42,;-21.62,11.76,;-21.65,9.02,;-20.87,7.69,;-21.62,6.34,;-20.84,5.03,;-19.27,5.05,;-18.54,3.73,;-18.56,6.43,;-19.33,7.69,;-16.24,10.41,;-17.02,11.76,;-14.7,10.37,;-12.42,6.34,;-11.64,7.66,;-11.63,5.05,;-10.09,5.12,;-9.33,3.79,;-10.05,2.47,;-7.8,3.75,;-7.06,2.39,;-7.8,1.04,;-7.06,-.28,;-5.54,-.43,;-5.13,-1.9,;-6.42,-2.71,;-7.65,-1.76,;-5.47,2.4,;-4.71,3.73,;-4.68,1.11,;-3.12,1.18,;-2.36,2.54,;-.86,2.59,;-.16,3.96,;1.39,3.98,;2.27,2.71,;1.55,1.33,;-.01,1.31,;-2.31,-.1,;-3.02,-1.45,;-.79,-.03,;.06,-1.28,;-.63,-2.68,;.27,-3.99,;-.44,-5.36,;.51,-6.64,;-.15,-7.99,;.77,-9.27,;-1.62,-8.21,;1.63,-1.23,;2.31,.16,;2.5,-2.47,;3.95,-2.35,;4.73,-.92,;6.15,-.69,;7.25,-1.9,;8.72,-1.33,;8.53,.26,;9.57,1.37,;9.12,2.85,;7.6,3.13,;6.56,2.06,;7.01,.55,;4.9,-3.56,;4.09,-5.13,;6.39,-3.25,;7.42,-4.37,;6.98,-5.86,;8.03,-6.98,;9.52,-6.64,;7.53,-8.52,;8.96,-4.04,;9.41,-2.59,;10,-5.13,;11.45,-4.77,;11.9,-3.27,;13.46,-2.92,;13.89,-1.45,;15.43,-1.18,;15.91,.29,;17.43,.59,;14.96,1.44,;12.56,-5.88,;12.13,-7.38,;14.05,-5.51,;15.12,-6.64,;14.7,-8.12,;15.76,-9.23,;17.28,-8.9,;18.37,-10.04,;17.92,-11.48,;16.4,-11.81,;15.32,-10.7,;16.6,-6.26,;17.04,-4.81,;17.64,-7.35,;19.13,-6.97,;20.17,-8.09,;21.65,-7.76,;19.73,-9.54,)|
BDBM82414 CSCC[C@H](NC(=O)[C@@H](N)CO)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O |r,wU:46.45,31.30,15.14,8.8,wD:24.23,4.4,(-14.05,.99,;-14.79,2.35,;-14.03,3.65,;-14.77,5,;-14.01,6.33,;-14.74,7.71,;-16.26,7.73,;-17.05,6.43,;-17.04,9.09,;-18.56,9.11,;-16.24,10.41,;-17.01,11.74,;-12.42,6.34,;-11.64,7.66,;-11.63,5.05,;-10.09,5.12,;-9.32,6.45,;-9.72,7.94,;-9.32,9.43,;-7.83,9.82,;-10.09,10.76,;-9.33,3.79,;-10.05,2.47,;-7.8,3.75,;-7.06,2.39,;-7.8,1.04,;-7.06,-.28,;-9.29,.64,;-5.47,2.4,;-4.71,3.73,;-4.68,1.11,;-3.12,1.18,;-2.74,2.6,;-1.26,3,;-.86,4.48,;.63,4.88,;1.03,6.37,;-.06,7.46,;2.52,6.77,;-2.31,-.1,;-3.02,-1.45,;-.79,-.03,;.06,-1.28,;1.63,-1.23,;2.31,.16,;2.5,-2.47,;3.95,-2.35,;4.73,-.92,;6.15,-.69,;7.25,-1.9,;8.72,-1.33,;8.53,.26,;9.57,1.37,;9.12,2.85,;7.6,3.13,;6.56,2.06,;7.01,.55,;4.9,-3.56,;6.39,-3.25,;4.09,-5.13,)|
BDBM82415 CSCC[C@H](N)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(N)=O |r|
BDBM82416 CSCC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C)C(=O)NCC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(=O)N[C@H](CCCN=C(N)N)C(=O)N[C@H](CCCN=C(N)N)C(=O)N[C@H](CC(N)=O)C(=O)NCC(=O)N[C@H](CO)C(=O)N[C@H](CO)C(=O)N[C@H](CO)C(=O)N[C@H](CO)C(=O)NCC(=O)N[C@H](C(C)C)C(=O)NCC(=O)NCC(=O)N[C@H](C)C(=O)N[C@H](C)C(=O)N[C@H](CCC(N)=O)C(O)=O |r,wU:64.66,86.90,42.43,8.8,112.117,134.139,146.151,158.163,189.195,199.204,wD:78.82,53.55,97.101,32.32,4.4,12.12,123.128,152.157,164.169,174.179,194.200,(-14.05,.99,;-14.79,2.35,;-14.03,3.65,;-14.77,5,;-14.01,6.33,;-14.74,7.71,;-16.26,7.73,;-17.05,6.43,;-17.04,9.09,;-18.56,9.11,;-19.32,10.42,;-18.57,11.81,;-20.87,10.42,;-21.62,11.76,;-21.65,9.02,;-20.87,7.69,;-21.62,6.34,;-20.84,5.03,;-19.27,5.05,;-18.54,3.73,;-18.56,6.43,;-19.33,7.69,;-16.24,10.41,;-17.02,11.76,;-14.7,10.37,;-12.42,6.34,;-11.64,7.66,;-11.63,5.05,;-10.09,5.12,;-9.33,3.79,;-10.05,2.47,;-7.8,3.75,;-7.06,2.39,;-7.8,1.04,;-7.06,-.28,;-5.54,-.43,;-5.13,-1.9,;-6.42,-2.71,;-7.65,-1.76,;-5.47,2.4,;-4.71,3.73,;-4.68,1.11,;-3.12,1.18,;-2.36,2.54,;-.86,2.59,;-.16,3.96,;1.39,3.98,;2.27,2.71,;1.55,1.33,;-.01,1.31,;-2.31,-.1,;-3.02,-1.45,;-.79,-.03,;.06,-1.28,;-.63,-2.68,;.27,-3.99,;-.44,-5.36,;.51,-6.64,;-.15,-7.99,;.77,-9.27,;-1.62,-8.21,;1.63,-1.23,;2.31,.16,;2.5,-2.47,;3.95,-2.35,;4.73,-.92,;6.15,-.69,;7.25,-1.9,;8.72,-1.33,;8.53,.26,;9.57,1.37,;9.12,2.85,;7.6,3.13,;6.56,2.06,;7.01,.55,;4.9,-3.56,;4.09,-5.13,;6.39,-3.25,;7.42,-4.37,;6.98,-5.86,;8.03,-6.98,;9.52,-6.64,;7.53,-8.52,;8.96,-4.04,;9.41,-2.59,;10,-5.13,;11.45,-4.77,;11.9,-3.27,;13.46,-2.92,;13.89,-1.45,;15.43,-1.18,;15.91,.29,;17.43,.59,;14.96,1.44,;12.56,-5.88,;12.13,-7.38,;14.05,-5.51,;15.12,-6.64,;14.7,-8.12,;15.76,-9.23,;17.28,-8.9,;18.37,-10.04,;17.92,-11.48,;16.4,-11.81,;15.32,-10.7,;16.6,-6.26,;17.04,-4.81,;17.64,-7.35,;19.13,-6.97,;20.17,-8.09,;19.73,-9.54,;21.67,-7.76,;22.76,-8.85,;22.36,-10.33,;23.69,-11.1,;23.29,-12.59,;24.63,-13.36,;24.63,-14.9,;23.29,-15.67,;25.96,-15.67,;24.25,-8.45,;24.64,-6.96,;25.58,-9.22,;26.91,-8.45,;26.91,-6.91,;28.25,-6.14,;28.25,-4.6,;29.58,-3.83,;29.58,-2.29,;28.49,-1.2,;30.67,-1.2,;28.25,-9.22,;27.85,-10.71,;29.73,-8.82,;31.07,-9.59,;31.07,-11.13,;29.98,-12.22,;28.49,-11.82,;29.98,-13.76,;32.4,-8.82,;32.4,-7.28,;33.73,-9.59,;35.07,-8.82,;36.4,-9.59,;36.4,-11.13,;37.74,-8.82,;39.07,-9.59,;39.07,-11.13,;37.98,-12.22,;40.4,-8.82,;40.4,-7.28,;41.74,-9.59,;43.07,-8.82,;43.07,-7.28,;41.98,-6.19,;44.4,-9.59,;44.4,-11.13,;45.74,-8.82,;47.07,-9.59,;47.07,-11.13,;45.98,-12.22,;48.41,-8.82,;48.41,-7.28,;49.74,-9.59,;51.07,-8.82,;51.07,-7.28,;49.98,-6.19,;52.41,-9.59,;52.41,-11.13,;53.74,-8.82,;55.07,-9.59,;56.41,-8.82,;56.41,-7.28,;57.74,-9.59,;59.07,-8.82,;59.07,-7.28,;57.99,-6.19,;60.41,-6.51,;60.41,-9.59,;60.41,-11.13,;61.74,-8.82,;63.08,-9.59,;64.41,-8.82,;64.41,-7.28,;65.74,-9.59,;67.08,-8.82,;68.41,-9.59,;68.41,-11.13,;69.74,-8.82,;71.08,-9.59,;71.08,-11.13,;72.17,-8.5,;72.17,-6.96,;73.5,-9.27,;74.59,-8.18,;74.59,-6.64,;75.92,-8.95,;75.92,-10.49,;77.26,-8.18,;78.59,-8.95,;78.59,-10.49,;79.92,-11.26,;79.92,-12.8,;78.84,-13.89,;81.26,-13.57,;79.92,-8.18,;81.26,-8.95,;79.92,-6.64,)|
BDBM82405 CSCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](N)CO)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(N)=O |r|
BDBM82406 CSCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](N)CO)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(C)C)C(O)=O |r,wU:74.76,92.96,52.53,42.42,104.110,108.113,33.33,8.10,26.27,wD:63.65,4.4,14.23,(4.17,6.3,;2.81,7.07,;2.79,8.6,;1.44,9.35,;1.43,10.91,;.08,11.65,;-1.2,10.85,;-1.19,9.3,;-2.57,11.58,;-2.58,13.12,;-1.27,13.93,;-3.88,10.81,;-5.23,11.53,;-5.25,13.09,;-6.55,10.78,;-6.53,9.22,;-5.21,8.47,;-5.18,6.95,;-3.83,6.18,;-2.5,6.96,;-1.17,6.19,;-2.52,8.49,;-3.85,9.24,;-7.89,11.52,;-9.24,10.76,;-9.24,9.21,;-10.56,11.52,;-11.9,10.76,;-10.56,13.06,;-9.24,13.83,;2.74,11.66,;2.73,13.2,;4.11,10.93,;5.42,11.73,;5.37,13.25,;6.69,14.07,;6.66,15.59,;7.97,16.43,;5.31,16.38,;6.75,10.99,;6.8,9.45,;8.07,11.79,;9.4,11.04,;10.75,11.82,;12.08,11.07,;12.26,9.51,;13.8,9.22,;14.54,10.57,;13.48,11.71,;9.45,9.48,;8.13,8.7,;10.8,8.73,;10.81,7.22,;12.14,6.43,;12.18,4.93,;13.56,4.19,;13.59,2.65,;12.24,1.85,;10.91,2.58,;10.88,4.14,;9.51,6.4,;8.15,7.16,;9.51,4.88,;8.2,4.09,;6.87,4.84,;5.55,4.07,;4.2,4.84,;2.87,4.06,;2.89,2.52,;4.22,1.76,;1.57,1.73,;8.2,2.55,;9.53,1.8,;6.88,1.76,;6.9,.26,;8.21,-.47,;8.26,-1.99,;6.93,-2.74,;7.22,-4.24,;8.71,-4.44,;9.56,-5.73,;11.13,-5.62,;11.81,-4.2,;10.96,-2.92,;9.37,-3.05,;5.6,-.51,;4.27,.18,;5.62,-2.07,;4.3,-2.86,;4.33,-4.4,;5.7,-5.13,;3,-5.2,;3.06,-6.72,;4.44,-7.46,;4.52,-9,;5.89,-9.71,;5.95,-11.25,;7.33,-11.95,;1.8,-7.56,;.42,-6.87,;1.86,-9.11,;3.11,-9.75,;2.62,-11.29,;1.16,-11.2,;.42,-9.99,;.48,-11.68,;1.99,-12.48,;-.77,-12.51,;-.72,-14.07,;.61,-14.76,;.69,-16.32,;1.93,-13.94,;-2.02,-14.89,;-1.94,-16.43,;-3.35,-14.2,)|
BDBM85021 CCCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(C)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(C)C)C(O)=O |r,wU:77.79,95.99,45.45,107.113,111.116,36.36,8.10,26.29,wD:66.68,55.56,4.4,14.23,(4.17,6.3,;2.81,7.07,;2.79,8.6,;1.44,9.35,;1.43,10.91,;.08,11.65,;-1.2,10.85,;-1.19,9.3,;-2.57,11.58,;-2.58,13.12,;-1.27,13.93,;-3.88,10.81,;-5.23,11.53,;-5.25,13.09,;-6.55,10.78,;-6.53,9.22,;-5.21,8.47,;-5.18,6.95,;-3.83,6.18,;-2.5,6.96,;-1.17,6.19,;-2.52,8.49,;-3.85,9.24,;-7.89,11.52,;-9.24,10.76,;-9.24,9.21,;-10.56,11.52,;-10.56,13.06,;-9.24,13.83,;-11.9,10.76,;-13.06,11.78,;-12.77,13.28,;-14.54,11.28,;2.74,11.66,;2.73,13.2,;4.11,10.93,;5.42,11.73,;5.37,13.25,;6.69,14.07,;6.66,15.59,;7.97,16.43,;5.31,16.38,;6.75,10.99,;6.8,9.45,;8.07,11.79,;9.4,11.04,;10.75,11.82,;12.08,11.07,;12.26,9.51,;13.8,9.22,;14.54,10.57,;13.48,11.71,;9.45,9.48,;8.13,8.7,;10.8,8.73,;10.81,7.22,;12.14,6.43,;12.18,4.93,;13.56,4.19,;13.59,2.65,;12.24,1.85,;10.91,2.58,;10.88,4.14,;9.51,6.4,;8.15,7.16,;9.51,4.88,;8.2,4.09,;6.87,4.84,;5.55,4.07,;4.2,4.84,;2.87,4.06,;2.89,2.52,;4.22,1.76,;1.57,1.73,;8.2,2.55,;9.53,1.8,;6.88,1.76,;6.9,.26,;8.21,-.47,;8.26,-1.99,;6.93,-2.74,;7.22,-4.24,;8.71,-4.44,;9.56,-5.73,;11.13,-5.62,;11.81,-4.2,;10.96,-2.92,;9.37,-3.05,;5.6,-.51,;4.27,.18,;5.62,-2.07,;4.3,-2.86,;4.33,-4.4,;5.7,-5.13,;3,-5.2,;3.06,-6.72,;4.44,-7.46,;4.52,-9,;5.89,-9.71,;5.95,-11.25,;7.33,-11.95,;1.8,-7.56,;.42,-6.87,;1.86,-9.11,;3.11,-9.75,;2.62,-11.29,;1.16,-11.2,;.42,-9.99,;.48,-11.68,;1.99,-12.48,;-.77,-12.51,;-.72,-14.07,;.61,-14.76,;.69,-16.32,;1.93,-13.94,;-2.02,-14.89,;-1.94,-16.43,;-3.35,-14.2,)|
BDBM85022 CCCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(C)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(C)C)C(O)=O |r,wU:77.79,95.99,55.56,45.45,107.113,111.116,36.36,8.10,26.29,wD:66.68,4.4,14.23,(4.17,6.3,;2.81,7.07,;2.79,8.6,;1.44,9.35,;1.43,10.91,;.08,11.65,;-1.2,10.85,;-1.19,9.3,;-2.57,11.58,;-2.58,13.12,;-1.27,13.93,;-3.88,10.81,;-5.23,11.53,;-5.25,13.09,;-6.55,10.78,;-6.53,9.22,;-5.21,8.47,;-5.18,6.95,;-3.83,6.18,;-2.5,6.96,;-1.17,6.19,;-2.52,8.49,;-3.85,9.24,;-7.89,11.52,;-9.24,10.76,;-9.24,9.21,;-10.56,11.52,;-10.56,13.06,;-9.24,13.83,;-11.9,10.76,;-13.06,11.78,;-12.77,13.28,;-14.54,11.28,;2.74,11.66,;2.73,13.2,;4.11,10.93,;5.42,11.73,;5.37,13.25,;6.69,14.07,;6.66,15.59,;7.97,16.43,;5.31,16.38,;6.75,10.99,;6.8,9.45,;8.07,11.79,;9.4,11.04,;10.75,11.82,;12.08,11.07,;12.26,9.51,;13.8,9.22,;14.54,10.57,;13.48,11.71,;9.45,9.48,;8.13,8.7,;10.8,8.73,;10.81,7.22,;12.14,6.43,;12.18,4.93,;13.56,4.19,;13.59,2.65,;12.24,1.85,;10.91,2.58,;10.88,4.14,;9.51,6.4,;8.15,7.16,;9.51,4.88,;8.2,4.09,;6.87,4.84,;5.55,4.07,;4.2,4.84,;2.87,4.06,;2.89,2.52,;4.22,1.76,;1.57,1.73,;8.2,2.55,;9.53,1.8,;6.88,1.76,;6.9,.26,;8.21,-.47,;8.26,-1.99,;6.93,-2.74,;7.22,-4.24,;8.71,-4.44,;9.56,-5.73,;11.13,-5.62,;11.81,-4.2,;10.96,-2.92,;9.37,-3.05,;5.6,-.51,;4.27,.18,;5.62,-2.07,;4.3,-2.86,;4.33,-4.4,;5.7,-5.13,;3,-5.2,;3.06,-6.72,;4.44,-7.46,;4.52,-9,;5.89,-9.71,;5.95,-11.25,;7.33,-11.95,;1.8,-7.56,;.42,-6.87,;1.86,-9.11,;3.11,-9.75,;2.62,-11.29,;1.16,-11.2,;.42,-9.99,;.48,-11.68,;1.99,-12.48,;-.77,-12.51,;-.72,-14.07,;.61,-14.76,;.69,-16.32,;1.93,-13.94,;-2.02,-14.89,;-1.94,-16.43,;-3.35,-14.2,)|
BDBM50001520 CC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)[C@@H](CCC(O)=O)NC1=O)C(=O)N1CCC[C@H]1C(=O)CN1CCC[C@H]1C(=O)CN[C@@H](CCCCN)C(=O)CN[C@@H](CC(O)=O)C(N)=O |wU:100.108,85.93,52.56,3.2,37.39,26.28,wD:8.76,77.84,12.12,90.97,62.67,(-3.08,-11.89,;-4.04,-10.69,;-5.56,-10.93,;-3.48,-9.19,;-1.99,-9.59,;-.44,-9.53,;1.04,-9.05,;2.31,-8.18,;3.32,-7.01,;3.96,-5.59,;4.21,-4.07,;5.75,-4.11,;4.03,-2.53,;5.52,-2.16,;7.01,-2.55,;7.93,-3.79,;9.39,-3.3,;9.37,-1.75,;10.5,-.71,;10.16,.79,;8.68,1.25,;7.55,.2,;7.9,-1.29,;3.44,-1.11,;2.5,.12,;3.58,1.21,;1.26,1.03,;1.99,2.38,;3.54,2.42,;4.28,3.78,;5.83,3.82,;6.57,5.18,;8.12,5.2,;5.78,6.51,;-.19,1.58,;-1.72,1.72,;-1.8,3.26,;-3.25,1.44,;-3.73,2.91,;-3.33,4.41,;-1.84,4.83,;-1.45,6.31,;-2.56,7.4,;-2.16,8.89,;-3.26,9.98,;-4.76,9.54,;-5.14,8.06,;-4.04,6.99,;-4.43,5.49,;-4.64,.76,;-5.79,-.26,;-6.96,.74,;-6.63,-1.57,;-8.03,-.92,;-8.17,.62,;-7,1.64,;-7.63,3.06,;-9.15,2.92,;-9.5,1.42,;-7.07,-3.05,;-7.1,-4.59,;-8.64,-4.77,;-6.72,-6.08,;-8.15,-6.67,;-9.38,-5.72,;-10.81,-6.31,;-12.02,-5.36,;-11.02,-7.83,;-5.95,-7.43,;-4.85,-8.5,;-5.76,-9.75,;4.61,-7.83,;3.6,-8.89,;5.01,-9.31,;3.98,-10.33,;4.63,-11.64,;6.06,-11.42,;6.07,-10.08,;7.17,-9.33,;7.18,-8,;8.35,-9.96,;9.7,-9.21,;8.67,-8.19,;9.31,-6.88,;10.75,-7.09,;10.75,-8.44,;11.85,-9.18,;11.85,-10.51,;13.02,-8.56,;14.14,-9.26,;15.21,-10.03,;15.21,-11.36,;16.36,-12.03,;16.36,-13.36,;17.51,-14.03,;17.51,-15.35,;16.31,-9.28,;16.32,-7.94,;17.48,-9.91,;18.83,-9.14,;19.88,-8.37,;19.88,-7.04,;21.04,-6.38,;22.31,-6.71,;21.04,-5.05,;20.99,-9.12,;20.9,-10.45,;22.18,-8.54,)|
BDBM50001477 [H][C@@]12Cc3ccccc3N1C(=O)[C@@H](CC(=O)NCCCC[C@H](NC(=O)[C@H](Cc1c[nH]c3ccccc13)NC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@H](Cc1ccc3ccccc3c1)NC2=O)C(N)=O)NC(=O)[C@@H](CCCC)NC(C)=O |r|
BDBM50001505 CC(=O)[C@H]1CSSC[C@@H](NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)[C@@H](CCC(O)=O)NC1=O)C(=O)N1CCC[C@H]1C(=O)CN1CCC[C@H]1C(=O)CN[C@@H](CCCCN)C(=O)CN[C@@H](CC(O)=O)C(N)=O |wU:8.71,96.103,81.88,48.51,37.39,26.28,wD:73.79,12.12,3.2,86.92,58.62,(-2.26,-11.08,;-3.22,-9.89,;-4.74,-10.12,;-2.66,-8.39,;-1.17,-8.79,;.38,-8.72,;1.85,-8.24,;3.13,-7.37,;4.21,-6.27,;4.77,-4.8,;5.02,-3.27,;6.56,-3.3,;4.84,-1.74,;6.34,-1.35,;7.83,-1.75,;8.11,-3.25,;9.65,-3.46,;10.3,-2.06,;11.78,-1.62,;12.13,-.12,;11,.95,;9.53,.49,;9.18,-1,;4.26,-.29,;3.32,.93,;4.4,2.02,;2.08,1.84,;2.81,3.19,;4.35,3.22,;5.1,4.59,;6.64,4.62,;7.39,5.97,;8.93,6,;6.59,7.3,;.63,2.38,;-.9,2.52,;-.98,4.06,;-2.43,2.24,;-2.91,3.71,;-2.51,5.21,;-3.61,6.3,;-3.22,7.79,;-1.74,8.18,;-.63,7.12,;-1.02,5.62,;-3.82,1.56,;-4.97,.54,;-6.14,1.54,;-5.81,-.76,;-7.21,-.12,;-7.35,1.42,;-6.18,2.44,;-6.8,3.87,;-8.33,3.73,;-8.68,2.22,;-6.25,-2.24,;-6.28,-3.79,;-7.82,-3.96,;-5.9,-5.29,;-7.33,-5.87,;-8.56,-4.91,;-9.99,-5.5,;-11.2,-4.55,;-10.2,-7.03,;-5.13,-6.62,;-4.03,-7.69,;-4.94,-8.95,;5.43,-7.03,;4.41,-8.09,;5.82,-8.51,;4.8,-9.53,;5.45,-10.82,;6.87,-10.61,;6.89,-9.27,;7.99,-8.53,;8,-7.19,;9.16,-9.16,;10.51,-8.39,;9.48,-7.38,;10.12,-6.08,;11.56,-6.29,;11.56,-7.64,;12.67,-8.37,;12.67,-9.7,;13.83,-7.75,;14.96,-8.46,;16.02,-9.23,;16.02,-10.57,;17.18,-11.22,;17.18,-12.55,;18.32,-13.22,;18.32,-14.54,;17.12,-8.48,;17.13,-7.13,;18.3,-9.09,;19.64,-8.34,;20.69,-7.58,;20.69,-6.24,;21.85,-5.57,;23.12,-5.92,;21.85,-4.24,;21.8,-8.3,;21.71,-9.65,;22.99,-7.72,)|
BDBM50001518 CC(=O)[C@H]1CSSC[C@@H](NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)[C@@H](CCC(O)=O)NC1=O)C(=O)N1CCC[C@H]1C(=O)CN1CCC[C@H]1C(=O)CN[C@@H](CCCCN)C(=O)CN[C@@H](CC(O)=O)C(N)=O |wU:8.76,100.108,85.93,52.56,37.39,26.28,wD:77.84,12.12,3.2,90.97,62.67,(-3.08,-11.89,;-4.04,-10.69,;-5.56,-10.93,;-3.48,-9.19,;-1.99,-9.59,;-.44,-9.53,;1.04,-9.05,;2.31,-8.18,;3.32,-7.01,;3.96,-5.59,;4.21,-4.07,;5.75,-4.11,;4.03,-2.53,;5.52,-2.16,;7.01,-2.55,;7.93,-3.79,;9.39,-3.3,;9.37,-1.75,;10.5,-.71,;10.16,.79,;8.68,1.25,;7.55,.2,;7.9,-1.29,;3.44,-1.11,;2.5,.12,;3.58,1.21,;1.26,1.03,;1.99,2.38,;3.54,2.42,;4.28,3.78,;5.83,3.82,;6.57,5.18,;8.12,5.2,;5.78,6.51,;-.19,1.58,;-1.72,1.72,;-1.8,3.26,;-3.25,1.44,;-3.73,2.91,;-3.33,4.41,;-1.84,4.83,;-1.45,6.31,;-2.56,7.4,;-2.16,8.89,;-3.26,9.98,;-4.76,9.54,;-5.14,8.06,;-4.04,6.99,;-4.43,5.49,;-4.64,.76,;-5.79,-.26,;-6.96,.74,;-6.63,-1.57,;-8.03,-.92,;-8.17,.62,;-7,1.64,;-7.63,3.06,;-9.15,2.92,;-9.5,1.42,;-7.07,-3.05,;-7.1,-4.59,;-8.64,-4.77,;-6.72,-6.08,;-8.15,-6.67,;-9.38,-5.72,;-10.81,-6.31,;-12.02,-5.36,;-11.02,-7.83,;-5.95,-7.43,;-4.85,-8.5,;-5.76,-9.75,;4.61,-7.83,;3.6,-8.89,;5.01,-9.31,;3.98,-10.33,;4.63,-11.64,;6.06,-11.42,;6.07,-10.08,;7.17,-9.33,;7.18,-8,;8.35,-9.96,;9.7,-9.21,;8.67,-8.19,;9.31,-6.88,;10.75,-7.09,;10.75,-8.44,;11.85,-9.18,;11.85,-10.51,;13.02,-8.56,;14.14,-9.26,;15.21,-10.03,;15.21,-11.36,;16.36,-12.03,;16.36,-13.36,;17.51,-14.03,;17.51,-15.35,;16.31,-9.28,;16.32,-7.94,;17.48,-9.91,;18.83,-9.14,;19.88,-8.37,;19.88,-7.04,;21.04,-6.38,;22.31,-6.71,;21.04,-5.05,;20.99,-9.12,;20.9,-10.45,;22.18,-8.54,)|
BDBM50001519 CC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)[C@@H](CCC(O)=O)NC1=O)C(=O)N1CCC[C@H]1C(=O)CN1CCC[C@H]1C(=O)CN[C@@H](CCCCN)C(=O)CN[C@@H](CC(O)=O)C(N)=O |wU:96.103,81.88,48.51,3.2,37.39,26.28,wD:8.71,73.79,12.12,86.92,58.62,(-2.26,-11.08,;-3.22,-9.89,;-4.74,-10.12,;-2.66,-8.39,;-1.17,-8.79,;.38,-8.72,;1.85,-8.24,;3.13,-7.37,;4.21,-6.27,;4.77,-4.8,;5.02,-3.27,;6.56,-3.3,;4.84,-1.74,;6.34,-1.35,;7.83,-1.75,;8.11,-3.25,;9.65,-3.46,;10.3,-2.06,;11.78,-1.62,;12.13,-.12,;11,.95,;9.53,.49,;9.18,-1,;4.26,-.29,;3.32,.93,;4.4,2.02,;2.08,1.84,;2.81,3.19,;4.35,3.22,;5.1,4.59,;6.64,4.62,;7.39,5.97,;8.93,6,;6.59,7.3,;.63,2.38,;-.9,2.52,;-.98,4.06,;-2.43,2.24,;-2.91,3.71,;-2.51,5.21,;-3.61,6.3,;-3.22,7.79,;-1.74,8.18,;-.63,7.12,;-1.02,5.62,;-3.82,1.56,;-4.97,.54,;-6.14,1.54,;-5.81,-.76,;-7.21,-.12,;-7.35,1.42,;-6.18,2.44,;-6.8,3.87,;-8.33,3.73,;-8.68,2.22,;-6.25,-2.24,;-6.28,-3.79,;-7.82,-3.96,;-5.9,-5.29,;-7.33,-5.87,;-8.56,-4.91,;-9.99,-5.5,;-11.2,-4.55,;-10.2,-7.03,;-5.13,-6.62,;-4.03,-7.69,;-4.94,-8.95,;5.43,-7.03,;4.41,-8.09,;5.82,-8.51,;4.8,-9.53,;5.45,-10.82,;6.87,-10.61,;6.89,-9.27,;7.99,-8.53,;8,-7.19,;9.16,-9.16,;10.51,-8.39,;9.48,-7.38,;10.12,-6.08,;11.56,-6.29,;11.56,-7.64,;12.67,-8.37,;12.67,-9.7,;13.83,-7.75,;14.96,-8.46,;16.02,-9.23,;16.02,-10.57,;17.18,-11.22,;17.18,-12.55,;18.32,-13.22,;18.32,-14.54,;17.12,-8.48,;17.13,-7.13,;18.3,-9.09,;19.64,-8.34,;20.69,-7.58,;20.69,-6.24,;21.85,-5.57,;23.12,-5.92,;21.85,-4.24,;21.8,-8.3,;21.71,-9.65,;22.99,-7.72,)|
BDBM50451493 N[C@@H](CCCN=C(N)N)C(=O)N(Cc1c[nH]c2ccccc12)Cc1cccc2ccccc12 |wD:1.1,(9.22,-7.05,;9.22,-5.51,;10.74,-5.33,;11.51,-3.99,;13.02,-4.25,;13.98,-3.09,;15.43,-3.62,;15.71,-5.18,;16.59,-2.69,;7.89,-4.74,;6.56,-5.51,;7.89,-3.2,;6.56,-2.43,;5.23,-3.2,;5.05,-4.74,;3.55,-5.06,;2.8,-3.72,;1.29,-3.39,;.82,-1.92,;1.87,-.78,;3.37,-1.12,;3.83,-2.57,;9.22,-2.43,;9.22,-.89,;7.89,-.12,;7.89,1.42,;9.22,2.19,;10.55,1.42,;11.9,2.19,;13.23,1.42,;13.23,-.12,;11.9,-.89,;10.55,-.12,)|
BDBM50451494 N[C@@H](CCCN=C(N)N)C(=O)N(CCc1c[nH]c2ccccc12)Cc1ccc2ccccc2c1 |wD:1.1,(7.16,-11.51,;7.16,-9.97,;8.68,-9.8,;9.45,-8.45,;10.97,-8.73,;11.93,-7.56,;13.38,-8.1,;13.66,-9.64,;14.55,-7.16,;5.83,-9.2,;4.5,-9.97,;5.83,-7.65,;7.16,-6.88,;7.16,-5.34,;8.5,-4.57,;9.9,-5.2,;10.94,-4.05,;10.17,-2.72,;10.65,-1.25,;9.62,-.1,;8.1,-.43,;7.63,-1.9,;8.66,-3.04,;4.5,-6.88,;3.16,-7.65,;3.14,-9.2,;1.81,-9.97,;.48,-9.2,;-.86,-9.97,;-2.19,-9.2,;-2.19,-7.65,;-.86,-6.88,;.48,-7.65,;1.81,-6.88,)|
BDBM50451495 O=C(NCc1c[nH]c2ccccc12)[C@H]1CCCN1Cc1cccc2ccccc12 |r|
BDBM50451496 O=C(NCc1ccc2ccccc2c1)[C@H]1CCCN1CCc1c[nH]c2ccccc12 |r|
BDBM50451497 O=C(NCc1c[nH]c2ccccc12)[C@@H]1CCCN1Cc1cccc2ccccc12 |r|
BDBM50454567 CC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O |wU:4.4,14.15,wD:36.38,25.27,(-.04,-6.35,;1.29,-5.57,;1.28,-4.02,;2.63,-6.3,;3.95,-5.53,;3.93,-3.98,;4.32,-2.5,;3.41,-1.27,;4.28,-.01,;5.75,-.48,;5.78,-2,;5.29,-6.28,;5.31,-7.82,;6.61,-5.5,;7.94,-6.23,;7.97,-7.78,;7.19,-9.11,;5.66,-9.11,;4.87,-10.44,;5.64,-11.79,;7.19,-11.79,;7.97,-10.46,;9.26,-5.46,;9.24,-3.92,;10.6,-6.21,;11.91,-5.43,;11.89,-3.9,;13.22,-3.1,;13.21,-1.57,;14.52,-.78,;14.5,.75,;15.83,1.53,;13.16,1.5,;13.27,-6.18,;13.28,-7.71,;14.57,-5.4,;15.92,-6.14,;15.95,-7.68,;15.17,-9.02,;13.62,-9.04,;13.16,-10.51,;14.43,-11.4,;14.61,-12.92,;16.02,-13.51,;17.25,-12.62,;17.06,-11.09,;15.65,-10.47,;17.25,-5.35,;18.58,-6.11,;17.21,-3.81,)|
BDBM50211370 [H][C@@]12CC3CCCCC3N1C(=O)[C@H](CC(=O)NCCCC[C@H](NC(=O)[C@H](Cc1c[nH]c3ccccc13)NC(=O)[C@]1([H])CCCCN1C(=O)[C@H](Cc1ccc(Cc3ccccc3)cc1)NC2=O)C(N)=O)NC(=O)[C@H](CCCC)NC(C)=O
BDBM50211369 [H][C@@]12CCCCN1C(=O)[C@H](Cc1ccc(cc1)-c1ccccc1)NC(=O)[C@@H](NC(=O)[C@H](CC(=O)NCCCC[C@H](NC(=O)[C@H](Cc1c[nH]c3ccccc13)NC2=O)C(N)=O)NC(=O)[C@H](CCCC)NC(C)=O)C(C)C
BDBM50211397 [H][C@@]12CC3CCCCC3N1C(=O)[C@H](CC(=O)NCCCC[C@H](NC(=O)[C@H](Cc1c[nH]c3ccccc13)NC(=O)[C@]1([H])CCCCN1C(=O)[C@H](Cc1ccc(cc1)-c1ccccc1)NC2=O)C(N)=O)NC(=O)[C@H](CCCC)NC(C)=O
BDBM50211383 [H][C@@]12CCCN1C(=O)[C@H](Cc1ccc(cc1)-c1ccccc1)NC(=O)[C@]1([H])CCCN1C(=O)[C@H](CC(=O)NCCCC[C@H](NC(=O)[C@H](Cc1c[nH]c3ccccc13)NC2=O)C(N)=O)NC(=O)[C@H](CCCC)NC(C)=O
BDBM50211368 [H][C@@]12CCCN1C(=O)[C@H](NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CC(=O)NCCCC[C@H](NC(=O)[C@H](Cc1cc3ccccc3[nH]1)NC2=O)C(N)=O)NC(=O)[C@H](CCCC)NC(C)=O)C(c1ccccc1)c1ccccc1
BDBM50211374 [H][C@@]12CCCCN1C(=O)[C@H](Cc1ccc(cc1)-c1ccccc1)NC(=O)[C@]1([H])Cc3ccccc3CN1C(=O)[C@H](CC(=O)NCCCC[C@H](NC(=O)[C@H](Cc1c[nH]c3ccccc13)NC2=O)C(N)=O)NC(=O)[C@H](CCCC)NC(C)=O
BDBM50211371 [H][C@@]12CCCN1C(=O)[C@H](Cc1ccc(cc1)-c1ccccc1)NC(=O)[C@]1([H])CC3CCCCC3N1C(=O)[C@H](CC(=O)NCCCC[C@H](NC(=O)[C@H](Cc1c[nH]c3ccccc13)NC2=O)C(N)=O)NC(=O)[C@H](CCCC)NC(C)=O
BDBM50211392 [H][C@@]12CCCN1C(=O)[C@H](CC(=O)NCCCC[C@H](NC(=O)[C@H](Cc1c[nH]c3ccccc13)NC(=O)[C@]1([H])CCCCN1C(=O)[C@H](Cc1ccc(cc1)-c1ccccc1)NC2=O)C(N)=O)NC(=O)[C@H](CCCC)NC(C)=O
BDBM50211393 [H][C@]12CC3CCCCC3N1C(=O)[C@H](CC(=O)NCCCC[C@H](NC(=O)[C@H](Cc1c[nH]c3ccccc13)NC(=O)[C@]1([H])CCCCN1C(=O)[C@H](CC1CCC(CC1)C1CCCCC1)NC2=O)C(N)=O)NC(=O)[C@H](CCCC)NC(C)=O |wU:48.53,25.27,1.0,wD:12.75,71.79,21.72,39.43,(24.36,-.05,;23.9,-1.86,;23.14,-.52,;21.63,-.82,;20.39,.09,;18.98,-.52,;18.8,-2.05,;20.04,-2.97,;21.45,-2.35,;22.86,-2.99,;22.16,-4.37,;20.7,-3.86,;21.86,-5.88,;21.98,-7.41,;22.51,-8.86,;21.14,-9.58,;23.4,-10.11,;24.61,-11.07,;26.02,-11.67,;27.55,-11.87,;29.08,-11.64,;30.48,-11.02,;31.67,-10.04,;32.55,-8.77,;33.92,-9.47,;33.05,-7.32,;34.56,-7.62,;35.06,-9.07,;34.17,-10.33,;35.09,-11.57,;36.55,-11.07,;37.89,-11.82,;39.21,-11.04,;39.19,-9.5,;37.85,-8.74,;36.53,-9.53,;33.14,-5.78,;32.82,-4.27,;34.26,-3.74,;32.09,-2.91,;33.8,-3.68,;33.59,-2.55,;34.03,-1.07,;32.97,.04,;31.47,-.32,;31.03,-1.8,;29.71,-1.01,;30.31,.41,;28.22,-.6,;28.42,.92,;27.2,1.86,;25.78,1.26,;24.55,2.2,;24.75,3.72,;26.17,4.32,;27.39,3.38,;23.52,4.66,;22.1,4.07,;20.88,5,;21.07,6.53,;22.5,7.12,;23.72,6.19,;26.68,-.62,;25.21,-1.05,;24.58,.36,;31.29,-12.33,;32.83,-12.28,;30.57,-13.69,;20.32,-5.78,;19.47,-7.07,;20.16,-8.45,;17.94,-6.98,;17.09,-8.26,;17.78,-9.64,;16.93,-10.93,;17.62,-12.3,;17.25,-5.6,;15.71,-5.51,;15.02,-4.13,;14.86,-6.79,)|
BDBM50211379 [H][C@@]12CCCCN1C(=O)[C@H](Cc1ccc(cc1)-c1ccccc1)NC(=O)[C@@H](NC(=O)[C@H](CC(=O)NCCCC[C@H](NC(=O)[C@H](Cc1c[nH]c3ccccc13)NC2=O)C(N)=O)NC(=O)[C@H](CCCC)NC(C)=O)C1CCCCC1
BDBM50211395 [H][C@@]12CCCCN1C(=O)[C@H](Cc1ccc(cc1)-c1ccccc1)NC(=O)[C@@H](NC(=O)[C@H](CC(=O)NCCCC[C@H](NC(=O)[C@H](Cc1c[nH]c3ccccc13)NC2=O)C(N)=O)NC(=O)[C@H](CCCC)NC(C)=O)c1ccccc1
BDBM50029747 CSCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(C)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(C)C)C(N)=O
BDBM50121260 [H][C@@]12Cc3ccccc3CN1C(=O)[C@@H](CC(=O)NCCCC[C@H](NC(=O)[C@H](Cc1c[nH]c3ccccc13)NC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@H](Cc1ccc3ccccc3c1)NC2=O)C(N)=O)NC(=O)[C@@H](CCCC)NC(C)=O |r|
BDBM50454568 CSCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(C)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(C)C)C(N)=O |wU:8.10,77.79,36.36,111.116,26.29,95.99,wD:107.113,14.23,45.45,55.56,4.4,66.68,(7.2,-9.08,;5.9,-8.23,;5.99,-6.69,;4.69,-5.85,;4.77,-4.32,;3.48,-3.48,;2.1,-4.19,;2.03,-5.73,;.8,-3.35,;.89,-1.82,;2.27,-1.1,;-.56,-4.06,;-1.86,-3.21,;-1.77,-1.68,;-3.23,-3.92,;-3.32,-5.46,;-2.02,-6.3,;-2.09,-7.83,;-.79,-8.66,;.58,-7.97,;1.87,-8.8,;.66,-6.43,;-.64,-5.6,;-4.52,-3.08,;-5.88,-3.78,;-5.95,-5.32,;-7.19,-2.94,;-7.1,-1.41,;-5.74,-.71,;-8.56,-3.64,;-8.66,-5.18,;-10.01,-5.88,;-7.35,-6.02,;6.13,-3.62,;6.22,-2.08,;7.44,-4.46,;8.81,-3.76,;8.88,-2.22,;10.26,-1.51,;10.33,.02,;9.04,.86,;11.7,.74,;10.09,-4.6,;10.02,-6.13,;11.47,-3.9,;12.76,-4.74,;12.69,-6.27,;13.98,-7.1,;14.05,-8.64,;15.54,-9.04,;16.38,-7.74,;15.42,-6.54,;14.14,-4.03,;14.22,-2.49,;15.43,-4.85,;16.8,-4.15,;16.87,-2.62,;18.24,-1.92,;19.55,-2.76,;20.92,-2.06,;20.99,-.51,;19.7,.32,;18.33,-.38,;18.1,-4.99,;18.03,-6.53,;19.47,-4.29,;20.76,-5.13,;20.68,-6.67,;21.97,-7.51,;21.9,-9.04,;23.2,-9.88,;23.11,-11.42,;24.41,-12.26,;21.74,-12.12,;22.13,-4.43,;22.22,-2.9,;23.41,-5.27,;24.79,-4.57,;24.87,-3.04,;24.09,-1.68,;22.58,-1.41,;22.37,.12,;23.76,.78,;24.21,2.26,;25.71,2.61,;26.77,1.49,;26.33,.02,;24.84,-.33,;26.09,-5.4,;26.02,-6.94,;27.47,-4.7,;28.76,-5.53,;30.12,-4.83,;30.21,-3.29,;31.43,-5.67,;32.8,-4.97,;32.87,-3.43,;34.25,-2.73,;34.31,-1.2,;35.69,-.49,;35.77,1.05,;34.08,-5.81,;34.01,-7.34,;35.59,-5.22,;35.76,-6.74,;37.27,-7.04,;38.02,-5.71,;36.99,-4.57,;37.27,-3.06,;36.12,-2.03,;38.74,-2.57,;39.04,-1.06,;37.88,-.03,;38.18,1.47,;36.41,-.54,;40.5,-.56,;40.79,.95,;41.65,-1.57,)|
BDBM50033130 CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCC[C@@H](NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)[C@H](Cc2cnc[nH]2)NC1=O)C(N)=O
BDBM50033131 CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCC[C@@H](NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](Cc2ccc(I)cc2)NC(=O)[C@H](Cc2cnc[nH]2)NC1=O)C(N)=O
BDBM50033133 CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCC[C@@H](NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](Cc2ccc(F)cc2)NC(=O)[C@H](Cc2cnc[nH]2)NC1=O)C(N)=O
BDBM50033134 CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCC[C@@H](NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](Cc2cnc[nH]2)NC1=O)C(N)=O
BDBM50454555 CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCC[C@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]cn2)NC1=O)C(N)=O |wU:30.30,66.69,4.4,44.46,25.25,wD:12.11,21.80,55.57,(-3.6,-3.27,;-2.8,-4.62,;-3.51,-6.01,;-2.66,-7.31,;-3.24,-8.75,;-4.77,-8.95,;-5.17,-10.44,;-6.68,-10.84,;-4.09,-11.55,;-2.3,-9.96,;-2.87,-11.38,;-.49,-9.48,;.9,-10.13,;.41,-11.59,;.29,-13.13,;-1.26,-13.19,;.53,-14.65,;1.14,-16.07,;2.06,-17.29,;3.26,-18.26,;4.65,-18.92,;6.15,-19.23,;7.69,-19.18,;9.17,-18.75,;9.77,-20.16,;10.5,-17.98,;11.43,-19.2,;11.62,-16.91,;12.44,-15.6,;13.83,-16.26,;12.93,-14.14,;14.44,-14.44,;14.92,-15.92,;16.39,-16.38,;16.4,-17.92,;14.94,-18.4,;14.33,-19.81,;12.8,-19.99,;11.88,-18.75,;12.49,-17.34,;14.02,-17.17,;13.05,-12.61,;12.8,-11.09,;14.28,-10.67,;12.2,-9.68,;13.53,-8.91,;14.87,-9.68,;16.19,-8.91,;17.53,-9.68,;18.87,-8.91,;20.19,-9.68,;18.87,-7.37,;11.27,-8.44,;10.09,-7.47,;10.9,-6.17,;8.69,-6.81,;9.17,-5.35,;10.69,-5.05,;11.17,-3.59,;12.68,-3.28,;13.71,-4.44,;13.22,-5.89,;11.7,-6.19,;7.18,-6.51,;5.64,-6.55,;5.92,-5.52,;4.17,-6.99,;3.56,-5.58,;4.48,-4.34,;6.03,-4.38,;6.52,-2.9,;5.3,-1.99,;4.03,-2.88,;2.83,-7.77,;1.72,-8.83,;.53,-7.85,;6.03,-20.77,;7.29,-21.65,;4.64,-21.43,)|
BDBM50034910 CC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O
BDBM50034912 CC(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O
BDBM50034922 CC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O |r,wU:4.3,14.14,25.26,wD:36.37,(-8.22,-36.2,;-8.22,-37.74,;-9.55,-38.51,;-6.89,-38.5,;-5.56,-37.74,;-5.56,-36.2,;-4.23,-35.43,;-2.82,-36.06,;-1.79,-34.91,;-2.55,-33.58,;-4.06,-33.9,;-4.22,-38.5,;-4.22,-40.05,;-2.89,-37.73,;-1.56,-38.5,;-1.56,-40.04,;-.23,-40.81,;1.1,-40.05,;2.44,-40.82,;2.44,-42.35,;1.1,-43.12,;-.23,-42.35,;-.22,-37.73,;-.22,-36.19,;1.11,-38.5,;2.45,-37.74,;2.45,-36.2,;3.78,-35.43,;3.78,-33.89,;5.11,-33.12,;5.11,-31.58,;3.78,-30.82,;6.45,-30.82,;3.78,-38.51,;3.78,-40.05,;5.11,-37.73,;6.44,-38.51,;6.44,-40.05,;7.77,-40.82,;9.18,-40.2,;10.21,-41.34,;9.43,-42.67,;9.91,-44.14,;8.88,-45.29,;7.37,-44.97,;6.9,-43.5,;7.93,-42.35,;7.77,-37.74,;9.1,-38.51,;7.77,-36.2,)|
BDBM50058956 CC(=O)N[C@H](Cc1ccccc1)C(=O)N[C@H](CCCNC(N)=N)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(N)=O
BDBM50058957 CC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](CCCNC(N)=N)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(N)=O
BDBM50058958 CC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(N)=O
BDBM50058959 CC(=O)N[C@H](Cc1ccccc1)C(=O)N[C@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O
BDBM50058960 CC(=O)NCC(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(N)=O
BDBM50058961 CC(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(N)=O
BDBM50058962 CC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(N)=O
BDBM50058963 CC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(N)=O
BDBM50058158 CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCC[C@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2cnc[nH]2)NC1=O)C(N)=O
BDBM50058160 C[C@H]1NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](Cc2cnc[nH]2)NC(=O)[C@@H](CC(=O)NCCCC[C@@H](NC1=O)C(N)=O)NC(C)=O
BDBM50058161 CCCC[C@H](NC(C)=O)C(=O)N[C@@H]1CC(=O)NCCCC[C@H](NC(=O)[C@H](C)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2cnc[nH]2)NC1=O)C(N)=O
BDBM50163147 [#6]-[#6]-[#6]-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@@H](-[#7]-[#6](=O)-[#6@@H](-[#7])-[#6]-c1ccc(-[#8])cc1)-[#6](-[#6])-[#6])-[#6](=O)-[#7]-[#6]-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6@H]-1-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccccc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-[#6@H](-[#6]-c1ccc2ccccc2c1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#8])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccccc1)-[#6](=O)-[#7]-[#6]-[#6](-[#8])=O
BDBM50024377 COc1ccc(cc1)N1N=C(CC(CC[C@@H](C)NC(=O)[C@H]2CNCC[C@@H]2c2ccc(F)cc2)C1=O)Sc1ccc(Cl)cc1 |c:10|
BDBM50189020 [#6]-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccc2ccccc2c1)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#7])-[#6]-c1ccccc1
BDBM50026884 CSCC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C)C(=O)NCC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(O)=O
BDBM50026883 CSCC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C)C(=O)NCC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(O)=O
BDBM50026885 CSCC[C@H](NC(=O)[C@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C)C(=O)NCC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(O)=O |wU:32.33,97.102,12.13,8.22,4.3,53.56,wD:78.83,64.67,42.44,86.91,(-10.36,-4.3,;-11.68,-5.11,;-11.66,-6.63,;-13,-7.42,;-12.98,-8.94,;-14.31,-9.72,;-15.64,-8.98,;-15.68,-7.45,;-16.98,-9.76,;-18.29,-9.01,;-19.62,-9.79,;-19.59,-11.32,;-20.98,-9.04,;-22.29,-9.82,;-20.99,-7.48,;-19.68,-6.7,;-19.68,-5.17,;-18.32,-4.39,;-16.99,-5.14,;-15.69,-4.36,;-16.99,-6.68,;-18.32,-7.46,;-16.94,-11.3,;-18.28,-12.08,;-15.61,-12.07,;-11.64,-9.69,;-11.63,-11.23,;-10.31,-8.92,;-8.97,-9.69,;-7.64,-8.91,;-7.66,-7.36,;-6.31,-9.66,;-4.98,-8.88,;-5,-7.35,;-3.66,-6.54,;-2.24,-7.15,;-1.24,-6.02,;-2.02,-4.68,;-3.51,-5.01,;-3.64,-9.63,;-3.61,-11.17,;-2.31,-8.85,;-.98,-9.61,;-.94,-11.16,;.39,-11.9,;.4,-13.43,;1.76,-14.19,;3.07,-13.41,;3.06,-11.87,;1.72,-11.12,;.36,-8.82,;.34,-7.29,;1.7,-9.59,;3.02,-8.79,;3,-7.25,;4.34,-6.47,;4.33,-4.94,;5.66,-4.16,;5.63,-2.6,;6.96,-1.82,;4.36,-2.31,;4.37,-9.56,;4.39,-11.07,;5.69,-8.76,;7.02,-9.53,;7.06,-11.07,;8.39,-11.84,;9.79,-11.19,;10.83,-12.33,;10.08,-13.66,;10.57,-15.12,;9.54,-16.27,;8.03,-15.97,;7.55,-14.51,;8.56,-13.35,;8.36,-8.75,;8.36,-7.2,;9.69,-9.5,;11.03,-8.72,;12.37,-9.46,;13.69,-8.68,;15.04,-9.44,;13.69,-7.15,;11.03,-7.19,;12.34,-6.41,;9.67,-6.42,;9.66,-4.88,;10.97,-4.1,;10.96,-2.57,;12.29,-1.76,;12.27,-.23,;13.59,.55,;13.59,2.07,;14.94,-.21,;8.33,-4.13,;6.99,-4.91,;8.29,-2.57,;7.19,1.07,;4.68,1.91,;2.21,1.52,;2.24,.03,;.91,-.78,;-.42,-.03,;-.46,1.52,;.88,2.3,;7.17,2.59,;8.49,3.37,;5.82,3.34,;5.82,4.9,;4.47,5.65,;4.46,7.21,;3.15,4.87,)|
BDBM50095646 CSCC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C)C(=O)NCC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](CC(O)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(O)=O
BDBM50121268 CCCC[C@@H](NC(C)=O)C(=O)N[C@@H]1CC(=O)NCCCC[C@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](Cc2c[nH]cn2)NC1=O)C(N)=O
BDBM50105876 N[C@H]1CC(=O)NCCCC[C@@H](NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](Cc2cnc[nH]2)NC1=O)C(N)=O
BDBM50105877 CC(=O)N[C@H]1CC(=O)NCCCC[C@@H](NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc2ccc3ccccc3c2)NC1=O)C(N)=O
BDBM50105883 CC(=O)N[C@@H]1CSSC[C@H](NC(=O)CNC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@@H](CCC(O)=O)NC1=O)C(N)=O
BDBM50105878 NC(=N)NCCC[C@@H]1NC(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](Cc2cnc[nH]2)NCC(=O)CC[C@@H](NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC1=O)C(N)=O
BDBM50105879 CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCC[C@@H](NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](Cc2cnc[nH]2)NC1=O)C(N)=O
BDBM50105884 NC(=N)NCCC[C@@H]1NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)CCC(=O)NCC(NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC1=O)C(N)=O
BDBM50105885 NC(=N)NCCC[C@@H]1NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)CCC(=O)NC2CCC(N2C(=O)[C@@H](Cc2c[nH]c3ccccc23)NC1=O)C(N)=O
BDBM50105880 CC(=O)N[C@H]1CC(=O)NCCCC[C@@H](NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](Cc2cnc[nH]2)NC1=O)C(N)=O
BDBM50105881 NC(=N)NCCC[C@@H]1NC(=O)[C@@H](Cc2ccc3ccccc3c2)NCC(=O)CC[C@@H](NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC1=O)C(N)=O
BDBM50105886 NC(=N)NCCC[C@@H]1NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)CCC(=O)NCC[C@@H](NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC1=O)C(N)=O
BDBM50105888 NNC(=O)[C@H]1CCCCNC(=O)CCC(=O)N[C@@H](Cc2ccc3ccccc3c2)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)N1
BDBM50105889 NC(=N)NCCC[C@@H]1NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)CCC(=O)NCCC[C@@H](NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC1=O)C(N)=O
BDBM50105890 N[C@H]1CC(=O)NCCCC[C@@H](NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc2ccc3ccccc3c2)NC1=O)C(N)=O
BDBM50105891 CCC1CC(=O)N[C@@H](Cc2ccc3ccccc3c2)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)N[C@H](CCCCNC1=O)C(N)=O
BDBM50105892 CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCC[C@@H](NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc2ccc3ccccc3c2)NC1=O)C(N)=O
BDBM50105893 NC(=N)NCCC[C@@H]1NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)CCC(=O)NCC(NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC1=O)C(N)=O
BDBM50105894 CCCC[C@H](NC(C)=O)C(=O)N[C@@H]1CC(=O)N[C@@H](Cc2cnc[nH]2)C(=O)N[C@H](Cc2ccc3ccccc3c2)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)N[C@H](CCCCNC1=O)C(N)=O
BDBM50105895 NC(=N)NCCC[C@@H]1NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)CCC(=O)NCCCC[C@@H](NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC1=O)C(N)=O
BDBM50105896 NC(=N)NCCC[C@@H]1NC(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)CCC(=O)NCCCC[C@@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC1=O)C(N)=O
BDBM50105897 NC(=N)NCCC[C@H]1NC(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)CCC(=O)NCCCC[C@@H](NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC1=O)C(N)=O
BDBM50105898 NC(=N)NCCC[C@@H]1NC(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)CCC(=O)NCCCC[C@@H](NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC1=O)C(N)=O
BDBM50111154 NCCCNCc1ccc2ccccc2c1
BDBM50111155 NC(=N)NCCCNCc1ccc2ccccc2c1
BDBM50111156 NCCCNC(=O)[C@H](CNCc1c[nH]c2ccccc12)NCc1ccc2ccccc2c1
BDBM50111157 N[C@H](CCC(O)=O)C(=O)N(Cc1ccc2ccccc2c1)Cc1cccc2ccccc12
BDBM50111159 C(N1CCNCC1)c1c[nH]c2ccccc12
BDBM50111160 C(Cc1c[nH]c2ccccc12)NCc1ccc2ccccc2c1
BDBM50111161 C(Cc1c[nH]c2ccccc12)NCc1c[nH]c2ccccc12
BDBM50111162 C(NCc1cccc2ccccc12)c1c[nH]c2ccccc12
BDBM50111163 C(NCc1cccc2ccccc12)c1ccc2ccccc2c1
BDBM50111164 NCCCNCc1c[nH]c2ccccc12
BDBM50111165 NCCNC(=O)[C@H](CNCc1ccc2ccccc2c1)NCc1ccc2ccccc2c1
BDBM50111166 C(N1CCNCC1)c1ccc2ccccc2c1
BDBM50111167 N[C@@H](CCCNC(N)=N)C(=O)N(Cc1ccc2ccccc2c1)Cc1cccc2ccccc12
BDBM50111168 NC(=N)N1CCN(Cc2ccc3ccccc3c2)CC1
BDBM50111169 NC(=N)NCCCNCc1c[nH]c2ccccc12
BDBM50111171 NC(=N)N1CCN(Cc2c[nH]c3ccccc23)CC1
BDBM50111172 NCCCCNC(=O)[C@H](CCCCNCc1c[nH]c2ccccc12)NCc1ccc2ccccc2c1
BDBM50111173 OC(=O)CCCCCNC(=O)N(Cc1ccc2ccccc2c1)Cc1cccc2ccccc12
BDBM50111175 [NH3+]C(=N)NCCC[C@H](NCc1ccc2ccccc2c1)C(=O)Nc1ccc2ccccc2c1
BDBM50111176 [NH3+]CCC[C@H](NCc1ccc2ccccc2c1)C(=O)OCC=C
BDBM50111178 [NH3+]C(=N)NCCCNC(=O)[C@@H]1C[C@H](O)CN1Cc1ccc2ccccc2c1
BDBM50111179 NC(=N)NCCC[C@@H](NCc1ccc2ccccc2c1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O
BDBM50111180 NC(=N)NCCC[C@H](NCc1ccc2ccccc2c1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O
BDBM50111181 COc1ccc(CN[C@H](CCCNC([NH3+])=N)C(O)=O)cc1OC
BDBM50111182 [NH3+]C(=N)NCCC[C@@H](NCc1ccc2ccccc2c1)C(O)=O
BDBM50111183 [NH3+]C(=N)NCCC[C@H](NCc1ccc2ccccc2c1)C(=O)Nc1cccc2ccccc12
BDBM50111184 COc1ccc(CN[C@H](CCCNC([NH3+])=N)C(O)=O)c(Cl)c1OC
BDBM50111185 NC(=N)NCCC[C@H](NCC1CCc2ccccc2C1)C(N)=O
BDBM50111187 NC(=N)NCCC[C@H](NCc1ccc2ccccc2c1)C(N)=O
BDBM50111188 NC(=O)[C@@H](Cc1ccc2ccccc2c1)NCc1c[nH]c2ccccc12
BDBM50111189 O[C@H]1C[C@H](N(Cc2ccc3ccccc3c2)C1)C(=O)NCCc1cnc[nH]1
BDBM50111190 NC(=N)NCCC[C@H](NCc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O
BDBM50111191 COc1ccc(CN[C@@H](CCCNC(N)=N)C(N)=O)cc1OC
BDBM50111192 [NH3+]C(=N)NCCC[C@H](NCc1ccc2ccccc2c1)C(=O)NCc1c[nH]c2ccccc12
BDBM50111193 NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NCc1ccc2ccccc2c1
BDBM50111195 [NH3+]C(=N)NCCC[C@H](NCc1ccc2ccccc2c1)C(=O)OCC=C
BDBM50111196 NC(=N)NCCC[C@@H](NCc1ccc2ccccc2c1)C(N)=O
BDBM50111197 NC(=O)[C@H](Cc1ccc2ccccc2c1)NCc1c[nH]c2ccccc12
BDBM50111198 NC(=N)NCCC[C@H](NCc1c[nH]c2ccccc12)C(N)=O
BDBM50111199 [NH3+]C(=N)NCCCC(NCc1c[nH]c2ccccc12)C(O)=O
BDBM50111200 NC(=N)NCCC[C@@H](NCc1c[nH]c2ccccc12)C(N)=O
BDBM50111202 NC(=O)[C@H](Cc1c[nH]c2ccccc12)NCc1ccc2ccccc2c1
BDBM50111204 COc1ccc(CN[C@@H](CCCNC(N)=N)C(N)=O)c(Cl)c1OC
BDBM50111205 [NH3+]C(=N)NCCC[C@@H](NCc1c[nH]c2ccccc12)C(O)=O
BDBM50111206 NC(=N)NCCCNC(=O)[C@H](CCCNC([NH3+])=N)NCc1ccc2ccccc2c1
BDBM50111186 NC(=N)NCCC[C@H](NCc1ccccc1)C(N)=O
BDBM50114077 C[C@H]1NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)CCC(=O)NCCCC[C@@H](NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(N)=N)NC1=O)C(N)=O
BDBM50114078 NC(=N)NCCC[C@@H]1NC(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)CCCC(=O)NCCCC[C@@H](NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC1=O)C(N)=O
BDBM50114080 NC(=N)NCCC[C@@H]1NC(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)CCC(=O)NCCCC[C@@H](NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC1=O)C(N)=O
BDBM50114081 NC(=N)NCCC[C@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)C2CCCN2C(=O)CCC(=O)NCCCC[C@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC1=O)C(N)=O
BDBM50114082 NC(=N)NCCC[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)CCCC(=O)NCCCC[C@@H](NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC1=O)C(N)=O
BDBM50114083 C[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)CCC(=O)NCCCC[C@@H](NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC1=O)C(N)=O
BDBM50114084 NC(=N)NCCC[C@@H]1NC(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)c2ccccc2C(=O)NCCCC[C@@H](NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC1=O)C(N)=O
BDBM50114085 NC(=N)NCCC[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)c2ccccc2C(=O)NCCCC[C@@H](NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC1=O)C(N)=O
BDBM50114086 NCCCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CCC(O)=O)C(N)=O
BDBM50114087 NC(=N)NCCC[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)CCC(=O)NCCCC[C@@H](NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC1=O)C(N)=O
BDBM50114088 C[C@@H]1NC(=O)CCC(=O)NCCCC[C@@H](NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](Cc2ccccc2)NC1=O)C(N)=O
BDBM50121885 CCCC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(N)=O
BDBM50121257 CCCC[C@@H](NC(C)=O)C(=O)N[C@@H]1CC(=O)NCCCC[C@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](CCCNC(N)=[NH2+])NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)C2(CC2)NC1=O)C(N)=O
BDBM50121258 CCCC[C@@H](NC(C)=O)C(=O)N[C@@H]1CC(=O)NCCCC[C@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](CCCNC(N)=[NH2+])NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)C2(CCCCC2)NC1=O)C(N)=O
BDBM50121259 NC(=N)NCCC[C@H]1NC(=O)[C@H](Cc2cccc3ccccc23)NC(=O)CCC(=O)NCCCC[C@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC1=O)C(N)=O
BDBM50121261 CCCC[C@@H](NC(C)=O)C(=O)N[C@@H]1CC(=O)NCCCC[C@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](CCCNC(N)=[NH2+])NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(O)[C@H]2CCCN2C1=O)C(N)=O
BDBM50121263 CCCC[C@@H](NC(C)=O)C(=O)N[C@@H]1CC(=O)NCCCC[C@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](CCCNC(N)=[NH2+])NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)C2(Cc3ccccc3C2)NC1=O)C(N)=O
BDBM50121264 CCCC[C@@H](NC(C)=O)C(=O)N[C@@H]1CC(=O)NCCCC[C@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](CCCNC(N)=[NH2+])NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)C2(CCCC2)NC1=O)C(N)=O
BDBM50121266 CCCC[C@@H](NC(C)=O)C(=O)N[C@@H]1CC(=O)NCCCC[C@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](CCCNC(N)=[NH2+])NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H]2C[C@@]3(C)CCCC[C@@]3(C)N2C1=O)C(N)=O
BDBM50121267 CCCC[C@@H](NC(C)=O)C(=O)N[C@@H]1CC(=O)NCCCC[C@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](CCCNC(N)=[NH2+])NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H]2CCCN2C1=O)C(N)=O
BDBM50119367 Cn1nnnc1CC1(CCN(CC1)C(=O)[C@@H](Cc1ccc(Cl)cc1)NC(=O)[C@H]1Cc2ccccc2CN1)C1CCCCC1
BDBM50119368 Clc1ccc(C[C@@H](NC(=O)[C@H]2Cc3ccccc3CN2)C(=O)N2CCC(Cn3cncn3)(CC2)C2CCCCC2)cc1
BDBM50134955 CCCC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C)C(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@H](Cc1ccc2ccccc2c1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(N)=O |wU:4.4,79.84,65.68,54.57,wD:35.37,8.8,39.40,98.103,87.92,12.12,(2.89,-5.82,;3.92,-6.96,;3.45,-8.43,;4.48,-9.57,;4,-11.03,;2.49,-11.35,;1.46,-10.21,;1.94,-8.75,;-.04,-10.53,;-1.07,-9.39,;-2.58,-9.71,;-3.06,-11.17,;-3.61,-8.56,;-3.13,-7.1,;-5.12,-8.88,;-6.15,-7.74,;-5.67,-6.27,;-6.7,-5.13,;-8.21,-5.45,;-9.24,-4.3,;-8.68,-6.91,;-7.65,-8.06,;-.52,-12,;.51,-13.14,;-2.03,-12.32,;5.03,-12.18,;4.55,-13.64,;6.54,-11.86,;7.57,-13,;9.07,-12.68,;9.55,-11.22,;10.1,-13.83,;9.78,-15.33,;11.12,-16.1,;12.26,-15.07,;11.64,-13.67,;12.41,-12.33,;13.95,-12.33,;11.64,-11,;12.41,-9.67,;11.64,-8.33,;10.1,-8.33,;9.33,-9.67,;7.79,-9.67,;7.02,-8.33,;5.48,-8.33,;4.71,-7,;5.48,-5.66,;7.02,-5.66,;7.79,-7,;9.33,-7,;13.95,-9.67,;13.78,-8.13,;14.72,-11,;16.26,-11,;17.03,-9.67,;16.26,-8.33,;14.72,-8.33,;13.95,-7,;14.72,-5.66,;13.95,-4.33,;16.26,-5.66,;17.03,-12.33,;16.26,-13.67,;18.57,-12.33,;19.34,-11,;18.57,-9.67,;19.34,-8.33,;20.87,-8.17,;21.19,-6.66,;19.85,-5.89,;19.53,-4.39,;18.07,-3.91,;16.92,-4.94,;17.24,-6.45,;18.71,-6.92,;20.88,-11,;21.65,-9.67,;21.65,-12.33,;23.19,-12.33,;23.96,-11,;25.5,-11,;26.27,-9.67,;26.27,-12.33,;23.96,-13.67,;23.19,-15,;25.5,-13.67,;26.27,-15,;25.5,-16.33,;23.96,-16.33,;23.19,-17.67,;23.96,-19,;23.19,-20.33,;23.96,-21.67,;21.65,-20.33,;27.81,-15,;28.58,-13.67,;28.58,-16.33,;30.12,-16.33,;30.89,-17.67,;30.12,-19,;28.58,-19,;27.81,-20.33,;28.58,-21.67,;30.12,-21.67,;30.89,-20.33,;30.89,-15,;32.43,-15,;30.12,-13.67,;30.89,-12.33,;30.12,-11,;28.58,-11,;30.89,-9.67,)|
BDBM50134957 [#6]-[#6]-[#6]-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@@H](-[#7]-[#6](=O)-[#6@@H](-[#7])-[#6]-c1ccc(-[#8])cc1)-[#6](-[#6])-[#6])-[#6](=O)-[#7]-[#6]-[#6](=O)-[#7][C@@]([#6])([#6]-c1ccccc1)[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccccc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-[#6@H](-[#6]-c1ccc2ccccc2c1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#8])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccccc1)-[#6](=O)-[#7]-[#6]-[#6](-[#7])=O
BDBM50134946 CCCC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C)C(=O)NCC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@H](Cc1ccc2ccccc2c1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(N)=O |wU:68.72,8.22,90.96,wD:82.88,32.33,42.44,101.107,12.13,57.61,4.3,(2.47,-9.76,;1.17,-9.01,;1.19,-7.5,;-.16,-6.75,;-.14,-5.24,;-1.49,-4.47,;-2.84,-5.23,;-2.85,-6.73,;-4.17,-4.45,;-5.53,-5.2,;-6.86,-4.44,;-6.86,-2.92,;-8.22,-5.18,;-9.55,-4.42,;-8.24,-6.7,;-6.9,-7.44,;-5.56,-6.71,;-4.2,-7.47,;-4.23,-8.99,;-2.87,-9.75,;-5.57,-9.73,;-6.91,-8.97,;-4.17,-2.95,;-5.5,-2.19,;-2.82,-2.2,;1.2,-4.49,;1.22,-2.98,;2.54,-5.26,;3.9,-4.5,;5.23,-5.27,;5.21,-6.79,;6.58,-4.52,;7.92,-5.29,;7.92,-6.79,;9.25,-7.55,;10.69,-6.96,;11.71,-8.09,;10.92,-9.39,;9.41,-9.05,;9.28,-4.55,;9.3,-3.03,;10.61,-5.31,;11.96,-4.56,;11.96,-3.02,;11.17,-1.68,;9.62,-1.68,;8.85,-.34,;9.62,1.02,;8.85,2.36,;9.61,3.72,;11.17,3.72,;11.95,2.36,;11.17,1.02,;11.95,-.32,;13.31,-5.32,;13.29,-6.82,;14.65,-4.56,;15.99,-5.32,;15.98,-6.85,;17.32,-7.61,;17.3,-9.11,;18.65,-9.89,;18.63,-11.4,;19.98,-12.15,;17.29,-12.13,;17.35,-4.59,;17.36,-3.08,;18.69,-5.35,;20.05,-4.61,;20.05,-3.09,;21.4,-2.35,;22.81,-2.98,;23.86,-1.85,;23.1,-.55,;23.58,.89,;22.56,2.03,;21.03,1.71,;20.53,.28,;21.57,-.85,;21.37,-5.37,;21.37,-6.88,;22.73,-4.62,;24.06,-5.4,;24.06,-6.9,;25.41,-7.67,;26.74,-6.9,;25.39,-9.17,;25.41,-4.64,;25.43,-3.14,;26.76,-5.4,;28.12,-4.66,;28.13,-3.15,;29.48,-2.4,;29.48,-.89,;30.83,-.15,;30.84,1.36,;32.2,2.11,;29.51,2.12,;29.46,-5.43,;29.45,-6.93,;30.8,-4.67,;32.14,-5.44,;32.13,-6.95,;33.47,-7.71,;34.83,-6.96,;36.17,-7.72,;36.15,-9.24,;34.8,-9.99,;33.47,-9.22,;33.5,-4.69,;33.5,-3.19,;34.83,-5.46,;36.18,-4.72,;37.53,-5.48,;38.89,-4.73,;37.51,-6.99,)|
BDBM50126086 CCCCC(=O)N[C@@H]1CC(=O)NCCCC[C@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](Cc2cnc[nH]2)NC1=O)C(N)=O
BDBM50126393 C[C@@H](N(CC(N)=O)C(=O)CN(C(c1ccccc1)c1ccccc1)C(=O)CNCCCNC(N)=N)c1ccccc1
BDBM50125743 CCCC(=O)C1(CCN(CC1)C(=O)[C@@H](Cc1ccc(OC)cc1)NC(=O)CCc1cnc[nH]1)c1ccccc1
BDBM50125744 CCCC(=O)C1(CCN(CC1)C(=O)[C@@H](Cc1ccc(OC)cc1)NC(=O)[C@H](N)Cc1cnc[nH]1)c1ccccc1
BDBM50125747 CCCC(=O)C1(CCN(CC1)C(=O)[C@@H](Cc1ccc(OC)cc1)NC(=O)[C@H](O)Cc1cnc[nH]1)c1ccccc1
BDBM50125748 CCCC(=O)C1(CCN(CC1)C(=O)[C@@H](Cc1ccc(OC)cc1)NC(=O)[C@@H](Cc1cnc[nH]1)NC(C)=O)c1ccccc1
BDBM50125750 CCCC(=O)C1(CCN(CC1)C(=O)[C@@H](Cc1ccc(OC)cc1)NC(=O)[C@@H](Cc1cnc[nH]1)NC(=O)c1ccccc1)c1ccccc1
BDBM50130011 CC(=O)N[C@@H](Cc1ccccc1)C(=O)N(CCCCN)C1CCC(CC1)N(CCc1c[nH]c2ccccc12)C(C)=O |wU:4.3,(14.76,-.51,;13.43,-1.29,;13.44,-2.84,;12.09,-.54,;10.76,-1.32,;10.76,-2.86,;11.54,-4.19,;10.76,-5.52,;11.51,-6.84,;13.03,-6.85,;13.8,-5.53,;13.05,-4.19,;9.41,-.57,;9.4,.97,;8.09,-1.36,;6.74,-.59,;6.72,.95,;5.39,1.71,;5.36,3.25,;4.02,4.01,;8.1,-2.91,;7.33,-4.26,;5.61,-3.63,;4.43,-4.05,;5.19,-2.7,;6.83,-3.33,;3.09,-3.28,;1.76,-4.05,;1.75,-5.6,;.41,-6.37,;-1,-5.73,;-2.03,-6.87,;-1.26,-8.21,;-1.75,-9.66,;-.72,-10.81,;.78,-10.5,;1.26,-9.03,;.24,-7.9,;3.09,-1.74,;1.76,-.97,;4.43,-.97,)|
BDBM50130012 CC(=O)N(CCCCNC(N)=N)C1CCC(CC1)N(CCc1c[nH]c2ccccc12)C(C)=O |(14.36,-.97,;13.01,-.22,;13,1.32,;11.7,-1,;10.35,-.24,;10.33,1.3,;9,2.05,;8.97,3.6,;7.63,4.36,;6.31,3.57,;4.96,4.33,;6.33,2.03,;11.7,-2.55,;10.93,-3.9,;9.22,-3.28,;8.04,-3.7,;8.8,-2.34,;10.44,-2.97,;6.71,-2.93,;5.38,-3.7,;5.37,-5.24,;4.02,-6.01,;2.62,-5.37,;1.59,-6.51,;2.36,-7.85,;1.88,-9.3,;2.89,-10.44,;4.4,-10.13,;4.88,-8.67,;3.86,-7.54,;6.71,-1.39,;5.38,-.61,;8.04,-.61,)|
BDBM50130013 CN(C1CCC(CC1)N(CCCCNC(N)=N)C(=O)[C@H](Cc1ccccc1)NC(C)=O)C(C)=O |wU:19.28,(-1.99,-5.9,;-.65,-5.13,;.68,-5.9,;1.43,-4.54,;3.07,-5.18,;4.33,-4.75,;3.59,-6.1,;1.86,-5.48,;4.33,-3.2,;2.99,-2.44,;2.98,-.9,;1.64,-.14,;1.62,1.4,;.27,2.17,;-1.05,1.38,;-2.4,2.14,;-1.04,-.16,;5.67,-2.42,;5.64,-.87,;7,-3.16,;7.02,-4.71,;7.79,-6.04,;9.31,-6.04,;10.06,-7.37,;9.29,-8.7,;7.76,-8.68,;7,-7.37,;8.33,-2.38,;9.68,-3.14,;11.01,-2.36,;9.69,-4.68,;-.65,-3.59,;-1.99,-2.81,;.68,-2.81,)|
BDBM50130014 CC(=O)N[C@H](Cc1ccccc1)C(=O)N(CCCCNC(N)=N)C1CCC(CC1)N(CCc1c[nH]c2ccccc12)C(C)=O |wD:4.3,(14.52,1.42,;13.19,.63,;13.2,-.91,;11.84,1.39,;10.51,.61,;10.53,-.94,;11.29,-2.27,;12.81,-2.27,;13.57,-3.59,;12.8,-4.92,;11.27,-4.91,;10.51,-3.59,;9.17,1.37,;9.15,2.91,;7.84,.58,;6.5,1.35,;6.48,2.89,;5.14,3.64,;5.13,5.18,;3.77,5.94,;2.46,5.16,;1.11,5.93,;2.46,3.62,;7.86,-.97,;7.09,-2.32,;5.36,-1.71,;4.19,-2.13,;4.94,-.77,;6.58,-1.39,;2.85,-1.36,;1.52,-2.13,;1.5,-3.67,;.17,-4.43,;-1.24,-3.8,;-2.28,-4.94,;-1.51,-6.27,;-1.99,-7.72,;-.97,-8.88,;.55,-8.57,;1.01,-7.11,;,-5.97,;2.85,.19,;1.52,.96,;4.19,.96,)|
BDBM50130009 CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCC[C@@H](NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H]2CCCN2C1=O)C(N)=O
BDBM50131872 CC(=O)[C@@H]1CC(=O)NCCCC[C@@H](NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@@H](CCC(O)=O)NC1=O)C(=O)N1CCC[C@H]1C(=O)CN1CCC[C@H]1C(=O)CN[C@@H](CCCCN)C(=O)CN[C@@H](CC(O)=O)C(N)=O
BDBM50131874 CC(=O)[C@@H]1CSSC[C@H](NC(=O)CNC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@@H](CCC(O)=O)NC1=O)C(=O)N1CCC[C@H]1C(=O)CN1CCC[C@H]1C(=O)CN[C@@H](CCCCN)C(=O)CN[C@@H](CC(O)=O)C(N)=O
BDBM50131875 CC(=O)C1C(=O)N[C@H](CCC(O)=O)C(=O)N[C@@H](Cc2cnc[nH]2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)NC(CSSC1(C)C)C(=O)N1CCC[C@H]1C(=O)CN1CCC[C@H]1C(=O)CN[C@@H](CCCCN)C(=O)CN[C@@H](CC(O)=O)C(N)=O
BDBM50131877 CC(=O)[C@@H]1CSSC[C@@H](NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](CCC(O)=O)NC1=O)C(=O)N1CCC[C@H]1C(=O)CN1CCC[C@H]1C(=O)CN[C@@H](CCCCN)C(=O)CN[C@@H](CC(O)=O)C(N)=O
BDBM50131878 CC(=O)C1CSSCC(NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@@H](CCC(O)=O)NC1=O)C(=O)N1CCC[C@H]1C(=O)CN1CCC[C@H]1C(=O)CN[C@@H](CCCCN)C(=O)CN[C@@H](CC(O)=O)C(N)=O
BDBM50131880 CC(=O)C1C(=O)N[C@H](CCC(O)=O)C(=O)N[C@@H](Cc2cnc[nH]2)C(=O)N[C@@H](Cc2ccc3ccccc3c2)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)NC(CSSC1(C)C)C(=O)N1CCC[C@H]1C(=O)CN1CCC[C@H]1C(=O)CN[C@@H](CCCCN)C(=O)CN[C@@H](CC(O)=O)C(N)=O
BDBM50131881 CC(=O)[C@@H]1CSSC[C@@H](NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](CCC(O)=O)NC1=O)C(=O)N1CCC[C@H]1C(=O)CN1CCC[C@H]1C(=O)CN[C@@H](CCCCN)C(=O)CN[C@@H](CC(O)=O)C(N)=O
BDBM50131238 CCCC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O
BDBM50131239 N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O
BDBM50131240 CC(C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O
BDBM50131241 NC(=N)NCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CC#N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O
BDBM50131242 NC(=N)NCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)C1CC1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O
BDBM50131243 NC(=N)NCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)c1ccccc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O
BDBM50131244 NC(=N)NCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CCCO)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O
BDBM50131245 NC(=N)NCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)COc1ccc(Cl)cc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O
BDBM50131246 NC(=N)NCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NS(=O)(=O)c1ccc(Cl)cc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O
BDBM50131247 NC(=N)NCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CCc1ccccc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O
BDBM50131248 CCC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O
BDBM50131249 CS(=O)(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O
BDBM50131250 CC(C)(C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O
BDBM50131251 NC(=N)NCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CCCc1ccccc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O
BDBM50131252 CSCC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O
BDBM50131253 CCCCC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O
BDBM50131254 COCC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O
BDBM50131255 NC(=N)NCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CO)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O
BDBM50131256 NC(=N)NCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CC(F)(F)F)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O
BDBM50131257 NC(=N)NCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)Cc1ccccc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O
BDBM50131258 NC(=N)NCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)Cc1ccc(Cl)cc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O
BDBM50131259 NC(=N)NCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)C(N)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O
BDBM50131260 NC(=N)NCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)C(O)Cc1ccccc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O
BDBM50136514 COc1ccc(cc1)-n1nc(Sc2ccc(Cl)cc2)cc(CC[C@@H](C)NC(=O)[C@H]2CNCC[C@@H]2c2ccccc2)c1=O
BDBM50134945 CCCC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C)C(=O)NCC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(N)=O
BDBM50134944 CC(C)[C@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@H]1C(=O)NCC(=O)N[C@@H](Cc2cnc[nH]2)C(=O)N[C@H](Cc2ccccc2)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CSSC1(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(N)=O
BDBM50134942 CC(C)[C@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H]1CSSC[C@@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)CNC1=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(N)=O
BDBM50134948 CSCC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C)C(=O)NCC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(O)=O
BDBM50134949 CCCC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C)C(=O)N[C@@H]1CSSC[C@@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)CNC1=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(N)=O
BDBM50134951 CCCC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C)C(=O)N[C@H]1CC(=O)NCCCC[C@@H](NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2cnc[nH]2)NC1=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(N)=O
BDBM50134952 CC(C)[C@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@H]1CSSC[C@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)CNC1=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(N)=O
BDBM50134953 CC(C)[C@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H]1CSSC[C@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)CNC1=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(N)=O
BDBM50134954 CCCC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C)C(=O)N[C@@H]1CSSC[C@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)CNC1=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(N)=O
BDBM50134956 CC(C)[C@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H]1CSSC(C)(C)[C@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)CNC1=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(N)=O
BDBM50134958 CCCC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C)C(=O)N[C@H]1CSSC[C@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)CNC1=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(N)=O
BDBM50134959 CCCC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C)C(=O)N[C@H]1C(=O)NCC(=O)N[C@@H](Cc2cnc[nH]2)C(=O)N[C@H](Cc2ccccc2)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@H](CSSC1(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(N)=O
BDBM50134486 Clc1ccc(C[C@@H](NC(=O)[C@H]2Cc3ccccc3CN2)C(=O)N2CCN(CC2)c2ccccc2Cn2cncn2)cc1 |r|
BDBM50134488 Clc1ccc(C[C@@H](NC(=O)[C@H]2Cc3ccccc3CN2)C(=O)N2CCN(CC2)c2ccccc2Cn2cnnc2)cc1
BDBM50134495 CS(=O)(=O)N1CC2(CCN(CC2)C(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)[C@H]2Cc3ccccc3CN2)c2ccccc12
BDBM50134496 CS(=O)(=O)Nc1ccccc1N1CCN(CC1)C(=O)[C@@H](Cc1ccc(Cl)cc1)NC(=O)[C@H]1Cc2ccccc2CN1
BDBM50138295 CS(=O)(=O)N(CC1CC1)c1ccccc1N1CCN(CC1)C(=O)[C@H](CC(=O)N1CCNCC1)Cc1ccc(Cl)cc1
BDBM50138296 CCN(C(C)c1ccccc1N1CCN(CC1)C(=O)[C@H](CC(=O)NC1CCC1)Cc1ccc(Cl)cc1)C(C)=O
BDBM50138299 CC(=O)N1CCN(CC1)C(=O)C[C@H](Cc1ccc(Cl)cc1)C(=O)N1CCN(CC1)c1ccccc1N(CC1CC1)S(C)(=O)=O
BDBM50138300 CCN(C(C)c1ccccc1N1CCN(CC1)C(=O)[C@H](CC(=O)N1CCC1)Cc1ccc(Cl)cc1)C(C)=O
BDBM50138304 CCN(C(C)c1ccccc1N1CCN(CC1)C(=O)[C@H](CC(=O)NCc1ccccc1F)Cc1ccc(Cl)cc1)C(C)=O
BDBM50138288 CCOC(=O)N1CCN(CC1)C(=O)C[C@H](Cc1ccc(Cl)cc1)C(=O)N1CCN(CC1)c1ccccc1N(CC1CC1)S(C)(=O)=O
BDBM50138292 CCCN1CCN(CC1)C(=O)C[C@H](Cc1ccc(Cl)cc1)C(=O)N1CCN(CC1)c1ccccc1N(CC1CC1)S(C)(=O)=O
BDBM50138293 CC(C)(C)CC(=O)N1CCN(CC1)C(=O)C[C@H](Cc1ccc(Cl)cc1)C(=O)N1CCN(CC1)c1ccccc1N(CC1CC1)S(C)(=O)=O
BDBM50138294 CC(C)(C)OC(=O)N1CCN(CC1)C(=O)C[C@H](Cc1ccc(Cl)cc1)C(=O)N1CCN(CC1)c1ccccc1N(CC1CC1)S(C)(=O)=O
BDBM50139023 Clc1ccc(C[C@@H](NC(=O)[C@H]2Cc3ccccc3CN2)C(=O)N2CCN(CC2)c2ccccc2Cn2ccnc2)cc1
BDBM50139028 CN(C)Cc1ccccc1N1CCN(CC1)C(=O)[C@@H](Cc1ccc(Cl)cc1)NC(=O)[C@H]1Cc2ccccc2CN1
BDBM50157315 Cl.Cl.CN1CCNC[C@H]1C(=O)N[C@H](Cc1ccc(F)cc1)C(=O)N1CCC(CC1)(C1CCCCC1)C(=O)NC(C)(C)C |r|
BDBM50150842 C[C@@H]1CN(CCN1)C(Nc1ccc(cc1)C(=O)NCCc1ccc(Cl)cc1Cl)=NC1CCCCC1 |w:28.31|
BDBM50150829 CC1CN(CC(C)N1)C(Nc1ccc(cc1)C(=O)NCCc1ccc(Cl)cc1Cl)=NC1CCCCC1 |w:29.32|
BDBM50150830 Clc1ccc(CCNC(=O)c2ccc(NC(=NC3CCCCC3)N3CCNCC3)cc2)c(Cl)c1 |w:16.16|
BDBM50150831 CNC1CCN(C1)C(Nc1ccc(cc1)C(=O)NCCc1ccc(Cl)cc1Cl)=NC1CCCCC1 |w:28.31|
BDBM50150833 C[C@H]1CN(CCN1)C(Nc1ccc(cc1)C(=O)NCCc1ccc(Cl)cc1Cl)=NC1CCCCC1 |w:28.31|
BDBM50150835 CC(C)(N)CNC(Nc1ccc(cc1)C(=O)NCCc1ccc(Cl)cc1Cl)=NC1CCCCC1 |w:27.29|
BDBM50150836 Clc1ccc(CCNC(=O)c2ccc(NC(NC3CCNC3)=NC3CCCCC3)cc2)c(Cl)c1 |w:22.23|
BDBM50150837 C[C@H]1CN([C@H](C)CN1)C(Nc1ccc(cc1)C(=O)NCCc1ccc(Cl)cc1Cl)=NC1CCCCC1 |w:29.32|
BDBM50151502 Clc1ccc(C[C@@H](NC(=O)C2Cc3ccccc3CN2)C(=O)N2CCN(CC2)c2ccccc2)cc1
BDBM50151503 [O-][N+]1(CCN(CC1)C(=O)[C@@H](Cc1ccc(Cl)cc1)NC(=O)C1Cc2ccccc2CN1)c1ccccc1
BDBM50151504 Clc1ccc(C[C@@H](NC(=O)C2Cc3ccccc3CN2)C(=O)N2CCN(CC2)C2CCCCC2)cc1
BDBM50151505 Clc1ccc(C[C@@H](NC(=O)C2Cc3ccccc3CN2)C(=O)N2CCN(CC2)C2(Cn3cncn3)CCCC2)cc1
BDBM50151506 Clc1ccc(C[C@@H](NC(=O)C2Cc3ccccc3CN2)C(=O)N2CCN(CC2)[C@@H]2CCCC[C@H]2n2cncn2)cc1
BDBM50151507 Clc1ccc(C[C@@H](NC(=O)C2Cc3ccccc3CN2)C(=O)N2CCN(CC2)C2CCCCC2Cn2cncn2)cc1
BDBM50151508 [O-][N+]1(CCN(CC1)C(=O)[C@@H](Cc1ccc(Cl)cc1)NC(=O)C1Cc2ccccc2CN1)C1CCCCC1
BDBM50151509 Clc1ccc(C[C@@H](NC(=O)C2Cc3ccccc3CN2)C(=O)N2CCN(CC2)[C@H]2CCCC[C@@H]2n2cncn2)cc1
BDBM50151510 Clc1ccc(C[C@@H](NC(=O)C2Cc3ccccc3CN2)C(=O)N2CCN(CC2)C2(Cn3cncn3)CCCCC2)cc1
BDBM50151511 Clc1ccc(C[C@@H](NC(=O)C2Cc3ccccc3CN2)C(=O)N2CCC(Cn3cncn3)(CC2)C2CCCCC2)cc1
BDBM50152799 CC(NC1CCCNC1)c1ccccc1N1CCN(CC1)C(=O)[C@@H](Cc1ccc(Cl)cc1)NC(=O)[C@H]1Cc2ccccc2CN1
BDBM50152806 NCc1ccccc1N1CCN(CC1)C(=O)[C@@H](Cc1ccc(Cl)cc1)NC(=O)[C@H]1Cc2ccccc2CN1 |r|
BDBM50152808 Clc1ccc(C[C@@H](NC(=O)[C@H]2Cc3ccccc3CN2)C(=O)N2CCN(CC2)c2ccccc2CNCCc2cccs2)cc1 |r|
BDBM50152818 Fc1ccccc1CCNCc1ccccc1N1CCN(CC1)C(=O)[C@@H](Cc1ccc(Cl)cc1)NC(=O)[C@H]1Cc2ccccc2CN1
BDBM50152795 CC(N[C@H]1CCNC1)c1ccccc1N1CCN(CC1)C(=O)[C@@H](Cc1ccc(Cl)cc1)NC(=O)[C@H]1Cc2ccccc2CN1
BDBM50152249 NC(=N)NCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccc(Cl)cc1)NC(=O)CCCC(=O)c1ccccc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O
BDBM50152250 CCC(=O)N[C@@H](Cc1ccc(Cl)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O
BDBM50152269 NC(=N)NCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccc(Cl)cc1)NC(=O)c1cccnc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O
BDBM50152288 NC(=N)NCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccc(Cl)cc1)NC(=O)CC(N)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O
BDBM50152289 NC(=N)NCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccc(Cl)cc1)NS(=O)(=O)C(F)(F)F)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O
BDBM50152251 NC(=N)NCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccc(Cl)cc1)NC(=O)C(N)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O
BDBM50152252 NC(=N)NCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccc(Cl)cc1)NC(=O)CCCCc1ccccc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O
BDBM50152253 NC(=N)NCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccc(Cl)cc1)NC(=O)C1CC1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O
BDBM50152270 NC(=N)NCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CCCC(=O)c1ccccc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O
BDBM50152254 NC(=N)NCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccc(Cl)cc1)NC(=O)c1ccsc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O
BDBM50152271 CC[C@H](C)[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(C)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(C)C)C(N)=O
BDBM50152255 NC(=N)NCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccc(Cl)cc1)Nc1ccco1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O
BDBM50152272 NC(=N)NCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccc(Cl)cc1)NC(=O)c1ccncc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O
BDBM50152256 COCC(=O)N[C@@H](Cc1ccc(Cl)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O
BDBM50152273 NC(=N)NCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccc(Cl)cc1)NC(=O)c1ccccc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O
BDBM50152274 CCC(=O)OC(=O)N[C@@H](Cc1ccc(Cl)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O
BDBM50152275 NC(=N)NCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccc(Cl)cc1)NC(=O)CC=C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O
BDBM50152257 COP(=S)(N[C@@H](Cc1ccc(Cl)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O)OC
BDBM50152258 NC(=N)NCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccc(Cl)cc1)NC(=O)CC#N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O
BDBM50152276 NC(=N)NCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccc(Cl)cc1)NC(=O)NCC=C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O
BDBM50152259 COP(=O)(N[C@@H](Cc1ccc(Cl)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O)OC
BDBM50152260 CC(C)(C)C(=O)N[C@@H](Cc1ccc(Cl)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O
BDBM50152277 NC(=N)NCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccc(Cl)cc1)NC(=O)CC(F)(F)F)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O
BDBM50152261 NC(=N)NCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccc(Cl)cc1)NC(=O)CO)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O
BDBM50152278 NC(=N)NCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccc(Cl)cc1)NC(=O)CCc1ccccc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O
BDBM50152244 NC(=N)NCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccc(Cl)cc1)NC(=O)c1cccs1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O
BDBM50152245 NC(=N)NCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccc(Cl)cc1)NC(=O)c1c(F)c(F)c(F)c(F)c1F)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O
BDBM50152262 CS(=O)(=O)N[C@@H](Cc1ccc(Cl)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O
BDBM50152263 CSCC(=O)N[C@@H](Cc1ccc(Cl)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O
BDBM50152279 NC(=N)NCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccc(Cl)cc1)NC(=O)Cc1ccccc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O
BDBM50152280 NC(=N)NCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccc(Cl)cc1)NC(=O)c1ccccn1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O
BDBM50152264 CNC(=O)N[C@@H](Cc1ccc(Cl)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O
BDBM50152265 NC(=N)NCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccc(Cl)cc1)NC(=O)CNC=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O
BDBM50152266 NC(=N)NCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccc(Cl)cc1)NC(=O)CCCc1ccccc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O
BDBM50152281 NC(=N)NCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccc(Cl)cc1)NC(=O)CCC(=O)c1ccc(F)cc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O
BDBM50152282 CCCC(=O)N[C@@H](Cc1ccc(Cl)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O
BDBM50152283 CN(C)C(=O)N[C@@H](Cc1ccc(Cl)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O
BDBM50152246 NC(=N)NCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CCCc1ccccc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O
BDBM50152267 NC(=N)NCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccc(Cl)cc1)NC(=O)CCC(=O)c1cc(F)cc(F)c1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O
BDBM50152247 NC(=N)NCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccc(Cl)cc1)NC(=O)Nc1ccccc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O
BDBM50152268 CC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O
BDBM50152284 CC(=O)N[C@@H](Cc1ccc(Cl)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O
BDBM50152285 CC(C)C(=O)N[C@@H](Cc1ccc(Cl)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O
BDBM50152248 CCOC(=O)N[C@@H](Cc1ccc(Cl)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O
BDBM50152286 CCCCC(=O)N[C@@H](Cc1ccc(Cl)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O
BDBM50152287 NC(=N)NCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccc(Cl)cc1)NC(=O)COc1ccccc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O
BDBM50155380 NCC(=O)N[C@H](Cc1ccc(Cl)cc1)C(=O)N1CCN(CC1)c1ccccc1CNCCc1cccs1
BDBM50155390 NCCC(=O)N[C@H](Cc1ccc(Cl)cc1)C(=O)N1CCN(CC1)c1ccccc1CNCCc1cccs1
BDBM50155370 Clc1ccc(C[C@@H](NC(=O)C2CCCNC2)C(=O)N2CCN(CC2)c2ccccc2CNCCc2cccs2)cc1
BDBM50155375 Clc1ccc(C[C@@H](NC(=O)c2cccnc2)C(=O)N2CCN(CC2)c2ccccc2CNCCc2cccs2)cc1
BDBM50155393 NCCCC(=O)N[C@H](Cc1ccc(Cl)cc1)C(=O)N1CCN(CC1)c1ccccc1CNCCc1cccs1
BDBM50160531 CC(NC1CCCNC1)c1ccccc1N1CCN(CC1)C(=O)[C@@H](Cc1ccc(Cl)cc1)NC(=O)c1cnc2ccccc2c1
BDBM50158484 NCCC(=O)N[C@H](Cc1ccc(Cl)cc1Cl)C(=O)N1CCN(CC1)c1ccccc1CNCCc1cccs1 |r|
BDBM50157314 CN1CCN[C@@H](C1)C(=O)N[C@H](Cc1ccc(F)cc1)C(=O)N1CCC(CC1)(C1CCCCC1)C(=O)NC(C)(C)C
BDBM50162713 CS(=O)(=O)N(CC1CC1)c1ccccc1N1CCN(CC1)C(=O)[C@@H](Cc1ccc(Cl)cc1)NC(=O)[C@@H]1Cc2ccccc2CN1
BDBM50162714 CCCN(c1ccccc1N1CCN(CC1)C(=O)[C@@H](Cc1ccc(Cl)cc1)NC(=O)[C@@H]1Cc2ccccc2CN1)S(C)(=O)=O
BDBM50162717 CS(=O)(=O)Nc1ccccc1N1CCN(CC1)C(=O)[C@@H](Cc1ccc(Cl)cc1)NC(=O)[C@@H]1Cc2ccccc2CN1
BDBM50162722 CS(=O)(=O)N(CCN)c1ccccc1N1CCN(CC1)C(=O)[C@@H](Cc1ccc(Cl)cc1)NC(=O)[C@@H]1Cc2ccccc2CN1
BDBM50160546 CC(NC1CCCNC1)c1ccccc1N1CCN(CC1)C(=O)[C@@H](Cc1ccc(Cl)cc1)NC(=O)CC1NCCc2ccccc12
BDBM50165924 CC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H]1CSSC[C@@H](NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@@H](CCC(O)=O)NC1=O)C(N)=O
BDBM50165925 CC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H]1CSSC[C@@H](NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@@H](CCC(O)=O)NC1=O)C(N)=O
BDBM50165927 CC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H]1CSSC[C@@H](NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc2ccc(F)cc2)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@@H](CCC(O)=O)NC1=O)C(N)=O
BDBM50165928 CC(=O)N[C@@H]1CSSC[C@@H](NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@@H](CCC(O)=O)NC1=O)C(N)=O
BDBM50165929 CC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H]1CSSC[C@@H](NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc2ccc(Cl)cc2)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@@H](CCC(O)=O)NC1=O)C(N)=O
BDBM50165930 CC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H]1CSSC[C@@H](NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@@H](CCC(O)=O)NC1=O)C(N)=O
BDBM50165931 CSCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(O)=O)NC(=O)[C@@H](N)CC(N)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(C)C)C(=O)NCC(O)=O
BDBM50165932 CSCC[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc1ccc(O)cc1)NC(C)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(N)=O
BDBM50165933 CSCC[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)CN)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(O)=O)C(N)=O
BDBM50165934 CC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H]1CSSC[C@@H](NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2cncn2C)NC(=O)[C@@H](CCC(O)=O)NC1=O)C(N)=O
BDBM50165935 CSCC[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc1ccc(O)cc1)NC(C)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(O)=O)C(N)=O
BDBM50165936 CC(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@H]1CSSC[C@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H](Cc2cnc[nH]2)NC(=O)[C@H](CCC(O)=O)NC1=O)C(N)=O
BDBM50165937 CC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H]1CSSC[C@@H](NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@@H](CCC(O)=O)NC1=O)C(N)=O
BDBM50165938 CC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=O)C(=O)N[C@@H]1CSSC[C@@H](NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@@H](CCC(O)=O)NC1=O)C(N)=O
BDBM50165939 CSCC[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](C)N)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(O)=O)C(O)=O
BDBM50165940 CSC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CSC)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc1ccc(O)cc1)NC(C)=O)C(N)=O
BDBM50165941 CC(=O)N[C@H](CCCNC(N)=N)C(=O)N[C@H]1CSSC[C@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H](Cc2cnc[nH]2)NC(=O)[C@H](CCC(O)=O)NC1=O)C(N)=O
BDBM50164772 CC[C@H]1CN[C@@H](CN1C)C(=O)N[C@H](Cc1ccc(F)cc1)C(=O)N1CCC(CC1)(C1CCCCC1)C(=O)NC(C)(C)C
BDBM50163149 CCCC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C)C(=O)NCC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(O)=O
BDBM50163151 CCCC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C)C(=O)NCC(=O)N[C@H](Cc1ccc2ccccc2c1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(=O)ON
BDBM50163141 CCCC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C)C(=O)NCC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@H](Cc1ccc2ccccc2c1)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(=O)ON
BDBM50163142 CCCC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C)C(=O)NCC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(=O)ON
BDBM50163143 CSCC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C)C(=O)NCC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(O)=O
BDBM50163144 CCCC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C)C(=O)NCC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](Cc1ccc2ccccc2c1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(=O)ON
BDBM50163145 CCCC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C)C(=O)NCC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](Cc1ccc2ccccc2c1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(O)=O
BDBM50163146 CCCC[C@H](NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(C)=O)C(C)C)C(=O)NCC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(=O)ON
BDBM50168642 NCCC(=O)N[C@H](Cc1ccc(Cl)cc1Cl)C(=O)N1CCN(CC1)C1(CNC(=O)Cc2cccs2)CCCCC1
BDBM50168643 NCCC(=O)N[C@H](Cc1ccc(Cl)cc1Cl)C(=O)N1CCN(CC1)C1(CNCc2cccs2)CCCCC1
BDBM50168646 NCCC(=O)N[C@H](Cc1ccc(Cl)cc1Cl)C(=O)N1CCN(CC1)C1(CNCc2ccccc2F)CCCCC1
BDBM50168653 COc1ccc(CC(=O)NCC2(CCCCC2)N2CCN(CC2)C(=O)[C@@H](Cc2ccc(Cl)cc2Cl)NC(=O)CCN)cc1
BDBM50168658 NCCC(=O)N[C@H](Cc1ccc(Cl)cc1Cl)C(=O)N1CCN(CC1)C1(CNCCc2ccccc2)CCCCC1
BDBM50168726 CC(C)(C)NC(=O)C1(CCN(CC1)C(=O)[C@@H](Cc1ccc(Cl)cc1)NC(=O)[C@@H]1CCc2ccccc2[C@@H]1N)C1CCCCC1
BDBM50168727 CC(C)(C)NC(=O)C1(CCN(CC1)C(=O)[C@@H](Cc1ccc(Cl)cc1)NC(=O)[C@H]1CCc2ccccc2[C@@]1(C)N)C1CCCCC1
BDBM50168639 NCCC(=O)N[C@H](Cc1ccc(Cl)cc1Cl)C(=O)N1CCN(CC1)C1(CNC(=O)Cc2ccccc2)CCCCC1
BDBM50168640 COc1cccc(CC(=O)NCC2(CCCCC2)N2CCN(CC2)C(=O)[C@@H](Cc2ccc(Cl)cc2Cl)NC(=O)CCN)c1
BDBM50168723 CC(C)(C)NC(=O)C1(CCN(CC1)C(=O)[C@@H](Cc1ccc(Cl)cc1)NC(=O)C1Cc2ccccc2C1N)C1CCCCC1
BDBM50168724 CC(C)(C)NC(=O)C1(CCN(CC1)C(=O)[C@@H](Cc1ccc(Cl)cc1)NC(=O)[C@H]1CCc2ccccc2[C@H]1N)C1CCCCC1
BDBM50168725 CC(C)(C)NC(=O)C1(CCN(CC1)C(=O)[C@@H](Cc1ccc(Cl)cc1)NC(=O)C1Cc2ccccc2CC1N)C1CCCCC1
BDBM50167673 NC(=N)NCCC[C@H](NC(=O)CCc1cnc[nH]1)C(=O)N1C[C@H](Cc2ccccc2)C[C@H]1C(=O)NCc1ccccc1
BDBM50167674 COc1ccc(CNC(=O)[C@@H]2C[C@@H](Cc3ccccc3)CN2C(=O)[C@H](CCCNC(N)=N)NC(=O)Cc2cccc3ccccc23)cc1
BDBM50167675 NC(=N)NCCC[C@H](NC(=O)Cc1cccc2ccccc12)C(=O)N1C[C@H](Cc2ccccc2)C[C@H]1C(=O)NCc1ccccc1
BDBM50167688 NC(=N)NCCC[C@H](NC(=O)Cc1ccc2ccccc2c1)C(=O)N1C[C@H](Cc2ccccc2)C[C@H]1C(=O)NCc1ccccc1
BDBM50167689 NC(=N)NCCC[C@H](NC(=O)Cc1ccc2OCOc2c1)C(=O)N1C[C@H](Cc2ccccc2)C[C@H]1C(=O)NCc1ccccc1
BDBM50167690 NC(=N)NCCC[C@H](NC(=O)Cc1c[nH]c2ccccc12)C(=O)N1C[C@H](Cc2ccccc2)C[C@H]1C(=O)NCc1ccccc1
BDBM50167676 NC(=N)NCCC[C@H](NC(=O)Cc1ccc(Cl)cc1)C(=O)N1C[C@H](Cc2ccccc2)C[C@H]1C(=O)NCc1ccccc1
BDBM50167677 NC(=N)NCCC[C@H](NC(=O)Cc1ccc(Cl)c(Cl)c1)C(=O)N1C[C@H](Cc2ccccc2)C[C@H]1C(=O)NCc1ccccc1
BDBM50167678 NC(=N)NCCC[C@H](NC(=O)c1ccccc1-c1ccccc1)C(=O)N1C[C@H](Cc2ccccc2)C[C@H]1C(=O)NCc1ccccc1
BDBM50167680 NC(=N)NCCC[C@H](NC(=O)Cc1c[nH]c2ccccc12)C(=O)N1C[C@H](Cc2ccccc2)C[C@H]1C(=O)NCCc1ccccc1
BDBM50167692 NC(=N)NCCC[C@H](NC(=O)Cc1ccccc1)C(=O)N1C[C@H](Cc2ccccc2)C[C@H]1C(=O)NCc1ccccc1
BDBM50167693 NC(=N)NCCC[C@H](NC(=O)Cc1ccccc1Cl)C(=O)N1C[C@H](Cc2ccccc2)C[C@H]1C(=O)NCc1ccccc1
BDBM50167684 NC(=N)NCCC[C@H](NC(=O)CCc1ccccc1C[NH-])C(=O)N1C[C@H](Cc2ccccc2)C[C@H]1C(=O)NCc1ccccc1
BDBM50167685 NC(=N)NCCC[C@H](NC(=O)CCc1ccccc1)C(=O)N1C[C@H](Cc2ccccc2)C[C@H]1C(=O)NCc1ccccc1
BDBM50167686 NC(=N)NCCC[C@H](NC(=O)Cc1c[nH]c2ccccc12)C(=O)N1C[C@H](Cc2ccccc2)C[C@H]1C(=O)Nc1ccccc1
BDBM50167687 NC(=N)NCCC[C@H](NC(=O)Cc1c[nH]c2ccccc12)C(=O)N1C[C@H](Cc2ccccc2)C[C@H]1C(=O)NCCCc1ccccc1
BDBM50166519 CC(=O)N[C@H](Cc1ccc(Cl)cc1Cl)C(=O)N1CCN(CC1)c1ccccc1CNCCc1cccs1
BDBM50166520 Clc1ccc(C[C@@H](NC(=O)NC2CCCC2)C(=O)N2CCN(CC2)c2ccccc2CNCCc2cccs2)c(Cl)c1
BDBM50166521 FCCOC(=O)N[C@H](Cc1ccc(Cl)cc1Cl)C(=O)N1CCN(CC1)c1ccccc1CNCCc1cccs1
BDBM50166523 Clc1ccc(C[C@@H](NC(=O)N2CCCC2)C(=O)N2CCN(CC2)c2ccccc2CNCCc2cccs2)c(Cl)c1
BDBM50166524 CC(C)OC(=O)N[C@H](Cc1ccc(Cl)cc1Cl)C(=O)N1CCN(CC1)c1ccccc1CNCCc1cccs1
BDBM50166525 CN(C)C(=O)N[C@H](Cc1ccc(Cl)cc1Cl)C(=O)N1CCN(CC1)c1ccccc1CNCCc1cccs1
BDBM50166532 OCCNC(=O)N[C@H](Cc1ccc(Cl)cc1Cl)C(=O)N1CCN(CC1)c1ccccc1CNCCc1cccs1
BDBM50166533 CC(C)NC(=O)N[C@H](Cc1ccc(Cl)cc1Cl)C(=O)N1CCN(CC1)c1ccccc1CNCCc1cccs1
BDBM50166534 NCCCC(=O)N[C@H](Cc1ccc(Cl)cc1Cl)C(=O)N1CCN(CC1)c1ccccc1CNCCc1cccs1
BDBM50166535 COC(=O)CCC(=O)N[C@H](Cc1ccc(Cl)cc1Cl)C(=O)N1CCN(CC1)c1ccccc1CNCCc1cccs1
BDBM50166537 Clc1ccc(C[C@@H](NC(=O)c2ccccc2)C(=O)N2CCN(CC2)c2ccccc2CNCCc2cccs2)c(Cl)c1
BDBM50166538 CCOC(=O)N[C@H](Cc1ccc(Cl)cc1Cl)C(=O)N1CCN(CC1)c1ccccc1CNCCc1cccs1
BDBM50166539 CC(C)(C)NC(=O)N[C@H](Cc1ccc(Cl)cc1Cl)C(=O)N1CCN(CC1)c1ccccc1CNCCc1cccs1
BDBM50166540 Clc1ccc(C[C@@H](NC(=O)NC2CC2)C(=O)N2CCN(CC2)c2ccccc2CNCCc2cccs2)c(Cl)c1
BDBM50166543 COC(=O)N[C@H](Cc1ccc(Cl)cc1Cl)C(=O)N1CCN(CC1)c1ccccc1CNCCc1cccs1
BDBM50166544 CCNC(=O)N[C@H](Cc1ccc(Cl)cc1Cl)C(=O)N1CCN(CC1)c1ccccc1CNCCc1cccs1
BDBM50170427 COc1ccc(cc1)-n1nc(Sc2ccc(Cl)cc2)cc(CC[C@@H](C)NC(=O)[C@H]2CNC[C@@H]2c2ccc(F)cc2)c1=O
BDBM50170429 COc1ccc(cc1)-n1nc(Sc2ccc(Cl)cc2)cc(CC[C@@H](C)NC(=O)[C@H]2CNCC[C@@H]2c2ccc(F)cc2)c1=O
BDBM50169440 CC(C)(C)NC(=O)C1(CCN(CC1)C(=O)[C@@H](Cc1ccc(F)cc1)NC(=O)[C@H]1C[C@H]2CC[C@@H]1NC2)C1CCCCC1
BDBM50169442 CN1C[C@H]2CC[C@@H]1[C@@H](C2)C(=O)N[C@H](Cc1ccc(F)cc1)C(=O)N1CCC(CC1)(C1CCCCC1)C(=O)NC(C)(C)C |TLB:0:1:7.8:5.4|
BDBM50169443 CN1C[C@H]2CC[C@@H]1[C@H](C2)C(=O)N[C@H](Cc1ccc(F)cc1)C(=O)N1CCC(CC1)(C1CCCCC1)C(=O)NC(C)(C)C |TLB:0:1:7.8:5.4|
BDBM50169444 CC(C)(C)NC(=O)C1(CCN(CC1)C(=O)[C@@H](Cc1ccc(F)cc1)NC(=O)[C@H]1C[C@@H]2CC[C@@H]1NC2)C1CCCCC1
BDBM50169445 CN1C[C@@H]2CC[C@H]1[C@H](C2)C(=O)N[C@H](Cc1ccc(F)cc1)C(=O)N1CCC(CC1)(C1CCCCC1)C(=O)NC(C)(C)C |TLB:0:1:7.8:5.4|
BDBM50179132 Clc1ccc(C[C@@H](NC(=O)[C@H]2Cc3ccccc3CN2)C(=O)N2CCC(CN3C(=O)OCC33CCC3)(CC2)C2CCCCC2)cc1
BDBM50179133 Clc1ccc(C[C@@H](NC(=O)[C@H]2Cc3ccccc3CN2)C(=O)N2CCC(CN3CCNC3=O)(CC2)C2CCCCC2)cc1
BDBM50179462 [#6]-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccc2ccccc2c1)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6@@H]-1-[#6]-c2ccccc2-[#6]-[#7]-1)-[#6]-c1ccccc1
BDBM50179463 [#6]-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccc2ccccc2c1)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6@H](-[#6]-c1ccc(-[#8])cc1)-[#7]-[#6](-[#6])=O)-[#6]-c1ccccc1
BDBM50179464 [#7]\[#6](-[#7])=[#7]\[#6]-[#6]-[#6]-[#6@H]-1-[#6]-[#6@H](-[#6]-[#7]-1-[#6](=O)-[#6@H](-[#6]-[#6]-[#6@H]-1-[#6]-c2ccccc2-[#6]-[#7]-1)-[#6]-c1ccccc1)-[#8]-[#6]-c1ccccc1
BDBM50179465 [#6]-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccc2ccccc2c1)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6@H](-[#6]-c1ccc(Cl)cc1)-[#7]-[#6](-[#6])=O)-[#6]-c1ccc(F)cc1
BDBM50179466 [#6]-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccc2ccccc2c1)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6@H](-[#6]-c1ccc(-[#8])cc1)-[#7]-[#6](-[#6])=O)-[#6]-c1ccc(F)cc1
BDBM50179467 [#6]-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccc2ccccc2c1)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6@@H](-[#6]-c1ccccc1)-[#7]-[#6](=O)-[#6@@H]-1-[#6]-c2ccccc2-[#6]-[#7]-1
BDBM50179468 [#7]\[#6](-[#7])=[#7]\[#6]-[#6]-[#6]-[#6@H]-1-[#6]-[#6@H](-[#6]-[#7]-1-[#6](=O)-[#6@@H](-[#6]-c1ccccc1)-[#7]-[#6](=O)-[#6@H]-1-[#6]-c2ccccc2-[#6]-[#7]-1)-[#8]-[#6]-c1ccccc1
BDBM50179459 [#6]-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccc2ccccc2c1)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6@@H](-[#6]-c1ccccc1)-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccc(-[#8])cc1)-[#7]-[#6](-[#6])=O
BDBM50179460 [#6]-[#6](=O)-[#7]-[#6@H](-[#6]-c1ccc(-[#8])cc1)-[#6](=O)-[#7]-[#6@H](-[#6]-c1ccccc1)-[#6](=O)-[#7]-1-[#6]-[#6@@H](-[#6]-[#6@@H]-1-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#8]-[#6]-c1ccccc1
BDBM50179461 [#6]-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccc2ccccc2c1)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6@H](-[#6]-c1ccccc1)-[#7]-[#6](-[#6])=O)-[#6]-c1ccc(F)cc1
BDBM50179134 CC1(C)COC(=O)N1CC1(CCN(CC1)C(=O)[C@@H](Cc1ccc(Cl)cc1)NC(=O)[C@H]1Cc2ccccc2CN1)C1CCCCC1
BDBM50179135 CC1(C)CCN(CC2(CCN(CC2)C(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)[C@H]2Cc3ccccc3CN2)C2CCCCC2)S1(=O)=O
BDBM50179136 CN1CCN(CC2(CCN(CC2)C(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)[C@H]2Cc3ccccc3CN2)C2CCCCC2)C1=O
BDBM50179137 Clc1ccc(C[C@@H](NC(=O)[C@H]2Cc3ccccc3CN2)C(=O)N2CCC(CN3CCOC3=O)(CC2)C2CCCCC2)cc1
BDBM50179138 CCOC(=O)N(CC1(CCN(CC1)C(=O)[C@@H](Cc1ccc(Cl)cc1)NC(=O)[C@H]1Cc2ccccc2CN1)C1CCCCC1)C(C)C
BDBM50179139 Clc1ccc(C[C@@H](NC(=O)[C@H]2Cc3ccccc3CN2)C(=O)N2CCC(CN3C(=O)OCC33CC3)(CC2)C2CCCCC2)cc1
BDBM50179140 C[C@H]1COC(=O)N1CC1(CCN(CC1)C(=O)[C@@H](Cc1ccc(Cl)cc1)NC(=O)[C@H]1Cc2ccccc2CN1)C1CCCCC1
BDBM50179141 C[C@@H]1COC(=O)N1CC1(CCN(CC1)C(=O)[C@@H](Cc1ccc(Cl)cc1)NC(=O)[C@H]1Cc2ccccc2CN1)C1CCCCC1
BDBM50179142 Clc1ccc(C[C@@H](NC(=O)[C@H]2Cc3ccccc3CN2)C(=O)N2CCC(CN3CCCS3(=O)=O)(CC2)C2CCCCC2)cc1
BDBM50179143 CC(C)N(CC1(CCN(CC1)C(=O)[C@@H](Cc1ccc(Cl)cc1)NC(=O)[C@H]1Cc2ccccc2CN1)C1CCCCC1)S(C)(=O)=O
BDBM50177557 CCN(CC)CC(N1CCN(CC1)C(=O)[C@@H](Cc1ccc(Cl)cc1)NC(=O)CC1NCCc2ccccc12)c1ccccc1F
BDBM50177558 CCN(CC)CC(N1CCN(CC1)C(=O)[C@@H](Cc1ccc(Cl)cc1)NC(=O)CC1(C)NCc2ccccc12)c1ccccc1F
BDBM50177561 CCN(CC)CC(N1CCN(CC1)C(=O)[C@@H](Cc1ccc(Cl)cc1)NC(=O)[C@H]1Cc2ccccc2CN1)c1ccccc1F
BDBM50177562 CCN(CC)CC(N1CCN(CC1)C(=O)[C@@H](Cc1ccc(Cl)cc1)NC(=O)c1cc2ccccc2cn1)c1ccccc1F
BDBM50177563 CCN(CC)CC(N1CCN(CC1)C(=O)[C@@H](Cc1ccc(Cl)cc1)NC(=O)CC1NCc2ccccc12)c1ccccc1F
BDBM50177564 CCN(CC)CC(N1CCN(CC1)C(=O)[C@@H](Cc1ccc(Cl)cc1)NC(=O)C1Cc2ccccc2C(C)(C)N1)c1ccccc1F
BDBM50177565 CCN(CC)CC(N1CCN(CC1)C(=O)[C@@H](Cc1ccc(Cl)cc1)NC(=O)CC1N(C)Cc2ccccc12)c1ccccc1F
BDBM50184350 CCCC[C@@H]1NC(=O)CC[C@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)[C@@H](CC(O)=O)NC1=O)C(N)=O |wU:54.58,39.41,10.66,wD:28.30,14.14,4.3,(-1.99,-36.06,;-1.99,-37.6,;-.9,-38.32,;-.91,-39.84,;.32,-40.55,;2.02,-39.92,;2.01,-38.38,;.68,-37.62,;3.23,-37.6,;3.76,-36.32,;5.28,-36.11,;6.04,-37.44,;6.8,-38.77,;8.29,-38.36,;7.2,-40.26,;8.74,-40.26,;9.51,-41.6,;9.51,-43.14,;10.97,-43.62,;11.87,-42.38,;13.4,-42.23,;14.04,-40.83,;13.14,-39.58,;11.61,-39.73,;10.98,-41.13,;6.26,-41.48,;6.85,-42.9,;8.39,-42.89,;6.45,-44.38,;7.54,-45.47,;9.03,-45.08,;10.11,-46.16,;11.6,-45.76,;12.69,-46.86,;14.18,-46.46,;12.3,-48.35,;5.1,-45.15,;3.78,-44.37,;3.79,-42.82,;2.44,-45.13,;2.44,-46.67,;3.77,-47.44,;5.09,-46.68,;6.43,-47.44,;6.43,-48.99,;7.76,-49.76,;7.76,-51.3,;6.42,-52.08,;5.08,-51.3,;5.09,-49.76,;3.76,-48.98,;1.1,-44.36,;-.23,-45.12,;-.23,-46.66,;-1.55,-44.35,;-2.74,-45.1,;-3.98,-44.45,;-4.03,-43.06,;-5.16,-45.19,;-1.56,-42.82,;-.02,-42.07,;1.2,-42.82,;6.05,-34.77,;5.28,-33.44,;7.59,-34.78,)|
BDBM50184351 CCCC[C@@H]1NC(=O)CC[C@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H](CCC(O)=O)NC1=O)C(N)=O |wU:10.62,39.41,50.53,wD:28.30,14.14,4.3,(-1.37,-13.64,;-1.37,-15.18,;-.28,-15.9,;-.29,-17.42,;.94,-18.12,;2.64,-17.5,;2.63,-15.95,;1.3,-15.19,;3.85,-15.18,;4.38,-13.89,;5.9,-13.68,;6.66,-15.02,;7.42,-16.35,;8.91,-15.94,;7.83,-17.84,;9.36,-17.84,;10.14,-19.18,;10.13,-20.72,;11.59,-21.2,;12.49,-19.96,;14.03,-19.81,;14.67,-18.41,;13.76,-17.15,;12.23,-17.31,;11.6,-18.7,;6.88,-19.05,;7.47,-20.48,;9.01,-20.47,;7.07,-21.96,;8.16,-23.05,;9.65,-22.66,;10.73,-23.74,;12.22,-23.34,;13.32,-24.44,;14.81,-24.04,;12.92,-25.93,;5.73,-22.73,;4.4,-21.94,;4.41,-20.4,;3.06,-22.71,;3.06,-24.25,;4.39,-25.02,;4.38,-26.56,;5.71,-27.34,;7.05,-26.57,;7.05,-25.02,;5.71,-24.26,;1.72,-21.94,;.39,-22.7,;.39,-24.24,;-.94,-21.94,;-2.09,-22.73,;-3.35,-22.14,;-4.5,-22.93,;-4.5,-24.52,;-5.76,-22.33,;-.94,-20.4,;.6,-19.64,;1.82,-20.4,;6.67,-12.35,;5.9,-11.01,;8.22,-12.35,)|
BDBM50184352 CCCC[C@@H]1NC(=O)CC[C@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H](NC1=O)C(C)C)C(N)=O |wU:10.60,39.41,wD:50.57,28.30,14.14,4.3,(-1.88,-14.31,;-1.88,-15.85,;-.79,-16.58,;-.79,-18.09,;.43,-18.79,;2.13,-18.17,;2.13,-16.63,;.79,-15.87,;3.34,-15.85,;3.87,-14.57,;5.39,-14.36,;6.16,-15.69,;6.91,-17.02,;8.4,-16.61,;7.31,-18.51,;8.85,-18.51,;9.62,-19.85,;9.62,-21.39,;11.08,-21.87,;11.99,-20.64,;13.52,-20.48,;14.16,-19.09,;13.25,-17.83,;11.72,-17.98,;11.09,-19.38,;6.38,-19.73,;6.96,-21.15,;8.5,-21.14,;6.56,-22.63,;7.65,-23.73,;9.14,-23.32,;10.22,-24.41,;11.71,-24.02,;12.8,-25.1,;14.29,-24.71,;12.41,-26.59,;5.22,-23.39,;3.89,-22.62,;3.9,-21.08,;2.55,-23.38,;2.55,-24.92,;3.88,-25.69,;3.88,-27.23,;5.2,-28.01,;6.54,-27.24,;6.54,-25.69,;5.21,-24.92,;1.21,-22.61,;-.93,-22.79,;-.93,-24.3,;-2.04,-21.51,;-1.31,-20.3,;.09,-20.32,;1.32,-21.07,;-3.44,-21.49,;-4.12,-20.27,;-4.15,-22.69,;6.17,-13.03,;5.39,-11.69,;7.71,-13.03,)|
BDBM50184353 CCCC[C@@H]1NC(=O)CC[C@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2cnc[nH]2)NC1=O)C(N)=O |wU:39.41,10.64,wD:14.14,50.53,28.30,4.3,(-.32,4.4,;-.32,2.86,;.76,2.14,;.76,.63,;1.98,-.07,;3.68,.55,;3.68,2.09,;2.35,2.85,;4.9,2.86,;5.42,4.15,;6.93,4.36,;7.7,3.02,;8.46,1.7,;9.95,2.11,;8.86,.21,;10.39,.21,;11.17,-1.13,;11.16,-2.67,;12.63,-3.15,;13.52,-1.91,;15.06,-1.76,;15.7,-.36,;14.79,.9,;13.27,.74,;12.64,-.65,;7.92,-1,;8.51,-2.43,;10.04,-2.42,;8.1,-3.91,;9.2,-5,;10.69,-4.6,;11.77,-5.68,;13.25,-5.29,;14.34,-6.38,;15.83,-5.98,;13.95,-7.86,;6.76,-4.68,;5.44,-3.89,;5.45,-2.36,;4.11,-4.66,;4.1,-6.2,;5.43,-6.97,;5.42,-8.51,;6.75,-9.28,;8.09,-8.51,;8.08,-6.96,;6.75,-6.2,;2.77,-3.89,;1.43,-4.65,;1.41,-6.19,;.09,-3.87,;-1.23,-4.64,;-2.57,-3.87,;-2.73,-2.33,;-4.24,-2.01,;-5.02,-3.35,;-3.98,-4.5,;.09,-2.33,;1.64,-1.59,;2.86,-2.34,;7.71,5.69,;6.94,7.03,;9.25,5.69,)|
BDBM50184354 CCCC[C@@H]1NC(=O)CC[C@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCC(O)=O)NC1=O)C(N)=O |wU:10.67,39.41,wD:28.30,14.14,4.3,54.58,(.44,.75,;.44,-.8,;1.53,-1.51,;1.53,-3.03,;2.75,-3.74,;4.46,-3.11,;4.45,-1.56,;3.11,-.81,;5.67,-.8,;6.19,.49,;7.71,.7,;8.47,-.63,;9.24,-1.96,;10.72,-1.55,;9.64,-3.45,;11.17,-3.45,;11.95,-4.79,;11.94,-6.33,;13.41,-6.82,;14.3,-5.57,;15.83,-5.43,;16.48,-4.02,;15.57,-2.76,;14.04,-2.92,;13.42,-4.32,;8.7,-4.66,;9.28,-6.09,;10.82,-6.08,;8.88,-7.57,;9.97,-8.67,;11.46,-8.27,;12.54,-9.35,;14.03,-8.95,;15.13,-10.05,;16.62,-9.65,;14.73,-11.54,;7.54,-8.34,;6.21,-7.56,;6.22,-6.01,;4.87,-8.33,;4.87,-9.87,;6.2,-10.63,;7.53,-9.87,;8.86,-10.63,;8.86,-12.18,;10.2,-12.95,;10.2,-14.49,;8.86,-15.27,;7.52,-14.49,;7.52,-12.95,;6.2,-12.17,;3.53,-7.55,;2.2,-8.32,;2.2,-9.85,;.87,-7.55,;-.28,-8.35,;-1.54,-7.75,;-2.69,-8.54,;-2.69,-10.13,;-3.95,-7.94,;.87,-6.01,;2.4,-5.26,;3.63,-6.01,;8.48,2.04,;7.71,3.38,;10.02,2.04,)|
BDBM50184355 CCCC[C@@H]1NC(=O)CC[C@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCC(N)=O)NC1=O)C(N)=O |wU:10.67,39.41,wD:28.30,14.14,4.3,54.58,(-1.67,-15.57,;-1.66,-17.11,;-.58,-17.83,;-.58,-19.35,;.64,-20.05,;2.35,-19.43,;2.34,-17.88,;1.01,-17.12,;3.56,-17.11,;4.08,-15.82,;5.6,-15.61,;6.37,-16.95,;7.13,-18.28,;8.62,-17.87,;7.53,-19.77,;9.07,-19.77,;9.84,-21.11,;9.83,-22.65,;11.3,-23.13,;12.2,-21.89,;13.73,-21.74,;14.37,-20.34,;13.47,-19.08,;11.94,-19.24,;11.31,-20.63,;6.59,-20.98,;7.18,-22.41,;8.72,-22.4,;6.77,-23.89,;7.87,-24.98,;9.35,-24.58,;10.44,-25.67,;11.93,-25.27,;13.02,-26.36,;14.51,-25.97,;12.62,-27.85,;5.43,-24.66,;4.11,-23.87,;4.12,-22.33,;2.77,-24.64,;2.76,-26.18,;4.1,-26.95,;5.42,-26.19,;6.75,-26.95,;6.76,-28.5,;8.09,-29.27,;8.09,-30.81,;6.75,-31.59,;5.41,-30.81,;5.41,-29.27,;4.09,-28.49,;1.43,-23.87,;.1,-24.63,;.1,-26.17,;-1.23,-23.86,;-2.43,-24.59,;-3.65,-23.92,;-4.85,-24.64,;-4.82,-26.03,;-6.07,-23.96,;-1.23,-22.33,;.3,-21.57,;1.53,-22.32,;6.38,-14.28,;5.61,-12.94,;7.92,-14.28,)|
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BDBM50184357 CCCC[C@@H]1NC(=O)CC[C@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H]2CCCN2C1=O)C(N)=O |wU:10.61,50.57,39.41,wD:28.30,14.14,4.3,(-3.21,-14.67,;-3.2,-16.21,;-2.12,-16.93,;-2.12,-18.45,;-.89,-19.15,;.81,-18.53,;.8,-16.99,;-.54,-16.22,;2.01,-16.21,;2.54,-14.93,;4.06,-14.72,;4.82,-16.05,;5.58,-17.38,;7.07,-16.97,;5.98,-18.86,;7.52,-18.86,;8.29,-20.2,;8.28,-21.74,;9.75,-22.22,;10.65,-20.98,;12.18,-20.84,;12.82,-19.44,;11.91,-18.18,;10.39,-18.34,;9.76,-19.73,;5.04,-20.08,;5.63,-21.51,;7.17,-21.5,;5.23,-22.98,;6.32,-24.07,;7.8,-23.67,;8.89,-24.76,;10.38,-24.36,;11.47,-25.45,;12.96,-25.05,;11.07,-26.94,;3.89,-23.75,;2.56,-22.97,;2.57,-21.43,;1.22,-23.73,;1.22,-25.27,;2.55,-26.04,;2.54,-27.58,;3.87,-28.35,;5.21,-27.59,;5.21,-26.04,;3.88,-25.27,;-.12,-22.96,;-1.45,-23.73,;-1.48,-25.27,;-2.98,-22.77,;-4.51,-22.93,;-5.14,-21.52,;-4,-20.49,;-2.66,-21.26,;-1.24,-20.67,;-.02,-21.42,;4.83,-13.38,;4.06,-12.05,;6.37,-13.39,)|
BDBM50184358 CCCC[C@@H]1NC(=O)CC[C@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](CC(O)=O)NC1=O)C(N)=O |wU:10.61,39.41,wD:28.30,50.53,14.14,4.3,(-1.81,3.94,;-1.8,2.4,;-.71,1.68,;-.72,.16,;.5,-.54,;2.21,.09,;2.2,1.63,;.87,2.39,;3.42,2.4,;3.94,3.69,;5.46,3.9,;6.23,2.56,;6.99,1.23,;8.48,1.64,;7.39,-.26,;8.93,-.26,;9.7,-1.6,;9.69,-3.14,;11.16,-3.62,;12.06,-2.38,;13.59,-2.23,;14.23,-.83,;13.33,.43,;11.8,.27,;11.17,-1.12,;6.45,-1.47,;7.04,-2.9,;8.58,-2.89,;6.63,-4.38,;7.72,-5.47,;9.21,-5.07,;10.3,-6.16,;11.79,-5.76,;12.88,-6.85,;14.37,-6.46,;12.48,-8.34,;5.29,-5.14,;3.97,-4.36,;3.98,-2.82,;2.63,-5.13,;2.62,-6.67,;3.96,-7.44,;3.95,-8.98,;5.28,-9.76,;6.62,-8.99,;6.61,-7.44,;5.28,-6.68,;1.29,-4.35,;-.04,-5.12,;-.04,-6.65,;-1.37,-4.35,;-2.56,-5.1,;-3.79,-4.45,;-3.84,-3.05,;-4.97,-5.19,;-1.37,-2.82,;.16,-2.06,;1.39,-2.81,;6.24,5.23,;5.47,6.57,;7.78,5.23,)|
BDBM50184359 CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCC[C@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2cnc[nH]2)NC1=O)C(N)=O |r,wU:21.75,50.52,12.11,4.4,39.41,wD:25.25,61.64,(19.68,-11.7,;18.32,-10.97,;18.27,-9.43,;16.91,-8.71,;16.86,-7.17,;18.17,-6.36,;18.11,-4.82,;19.42,-4,;16.76,-4.09,;15.5,-6.44,;15.45,-4.9,;14.19,-7.26,;12.83,-6.53,;11.53,-7.35,;11.58,-8.88,;12.94,-9.61,;10.27,-9.7,;8.91,-8.97,;7.6,-9.79,;6.25,-9.06,;4.94,-9.87,;3.58,-9.15,;3.53,-7.61,;2.17,-6.88,;.86,-7.7,;2.12,-5.35,;.76,-4.62,;.71,-3.08,;1.93,-2.14,;1.41,-.69,;-.14,-.74,;-1.21,.35,;-2.69,-.02,;-3.1,-1.51,;-2.03,-2.6,;-.56,-2.22,;3.43,-4.53,;4.79,-5.26,;4.84,-6.8,;6.98,-5.22,;8.76,-4.36,;10.12,-5.08,;10.17,-6.62,;8.86,-7.43,;7.5,-6.71,;6.19,-7.52,;8.83,-5.93,;6.09,-4.44,;6.04,-2.9,;4.68,-2.18,;7.35,-2.09,;7.3,-.55,;5.94,.17,;5.89,1.71,;4.53,2.44,;3.23,1.62,;3.28,.07,;4.64,-.64,;8.71,-2.82,;10.02,-2,;9.96,-.46,;11.37,-2.73,;12.68,-1.91,;12.64,-.37,;13.86,.56,;13.35,2.01,;11.81,1.97,;11.37,.5,;11.42,-4.27,;12.78,-4.99,;14.09,-4.18,;2.27,-9.96,;.91,-9.24,;2.32,-11.5,)|
BDBM50184360 CCCC[C@@H]1NC(=O)CC[C@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCC)NC1=O)C(N)=O |wU:39.41,10.66,wD:14.14,4.3,54.58,28.30,(-.75,-16.21,;-.75,-17.75,;.34,-18.47,;.33,-19.99,;1.56,-20.69,;3.26,-20.07,;3.25,-18.52,;1.92,-17.76,;4.47,-17.75,;5,-16.46,;6.52,-16.25,;7.28,-17.59,;8.04,-18.92,;9.53,-18.51,;8.44,-20.41,;9.98,-20.41,;10.75,-21.75,;10.75,-23.29,;12.21,-23.77,;13.11,-22.53,;14.64,-22.38,;15.29,-20.98,;14.38,-19.72,;12.85,-19.88,;12.22,-21.27,;7.5,-21.62,;8.09,-23.05,;9.63,-23.04,;7.69,-24.53,;8.78,-25.62,;10.27,-25.22,;11.35,-26.31,;12.84,-25.91,;13.93,-27,;15.42,-26.61,;13.54,-28.49,;6.35,-25.3,;5.02,-24.51,;5.03,-22.97,;3.68,-25.28,;3.68,-26.82,;5.01,-27.59,;6.33,-26.83,;7.67,-27.59,;7.67,-29.14,;9,-29.91,;9,-31.45,;7.66,-32.23,;6.32,-31.45,;6.33,-29.91,;5,-29.13,;2.34,-24.51,;1.01,-25.27,;1.01,-26.81,;-.32,-24.5,;-1.65,-25.27,;-2.97,-24.5,;-4.3,-25.27,;-5.63,-24.5,;-.32,-22.97,;1.22,-22.21,;2.44,-22.97,;7.29,-14.92,;6.52,-13.58,;8.83,-14.92,)|
BDBM50184361 CCCC[C@@H]1NC(=O)CC[C@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)[C@@H](NC1=O)C(C)C)C(N)=O |wU:10.65,39.41,wD:28.30,14.14,4.3,54.62,(-1.6,3.95,;-1.59,2.41,;-.5,1.69,;-.51,.17,;.72,-.53,;2.42,.09,;2.41,1.63,;1.08,2.4,;3.63,2.41,;4.15,3.69,;5.67,3.91,;6.44,2.57,;7.2,1.24,;8.68,1.65,;7.6,-.25,;9.13,-.25,;9.91,-1.59,;9.9,-3.13,;11.37,-3.61,;12.27,-2.37,;13.8,-2.22,;14.44,-.82,;13.53,.43,;12,.28,;11.38,-1.12,;6.66,-1.46,;7.24,-2.89,;8.78,-2.88,;6.84,-4.37,;7.94,-5.46,;9.43,-5.06,;10.51,-6.15,;11.99,-5.75,;13.09,-6.84,;14.58,-6.44,;12.69,-8.33,;5.5,-5.13,;4.18,-4.35,;4.19,-2.81,;2.84,-5.12,;2.83,-6.66,;4.17,-7.43,;5.49,-6.66,;6.82,-7.43,;6.83,-8.98,;8.15,-9.75,;8.15,-11.29,;6.81,-12.06,;5.48,-11.28,;5.48,-9.74,;4.16,-8.97,;1.49,-4.35,;-.64,-4.52,;-.64,-6.03,;-1.75,-3.24,;-1.03,-2.04,;.38,-2.05,;1.6,-2.81,;-3.15,-3.23,;-3.83,-2.01,;-3.86,-4.43,;6.45,5.23,;5.68,6.57,;7.99,5.23,)|
BDBM50184362 CCCC[C@@H]1NC(=O)CC[C@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](CCCC)NC1=O)C(N)=O |wU:39.41,10.61,wD:14.14,4.3,28.30,50.53,(-.37,-33.4,;-.37,-34.94,;.72,-35.66,;.71,-37.18,;1.94,-37.89,;3.65,-37.26,;3.64,-35.72,;2.3,-34.96,;4.86,-34.94,;5.38,-33.65,;6.9,-33.44,;7.67,-34.78,;8.43,-36.11,;9.92,-35.7,;8.83,-37.6,;10.37,-37.6,;11.15,-38.94,;11.14,-40.49,;12.6,-40.97,;13.51,-39.73,;15.04,-39.58,;15.68,-38.17,;14.77,-36.92,;13.25,-37.07,;12.62,-38.47,;7.89,-38.82,;8.48,-40.25,;10.02,-40.24,;8.07,-41.73,;9.17,-42.82,;10.66,-42.42,;11.74,-43.51,;13.24,-43.11,;14.33,-44.21,;15.82,-43.81,;13.93,-45.7,;6.73,-42.5,;5.41,-41.71,;5.42,-40.17,;4.06,-42.48,;4.06,-44.02,;5.4,-44.79,;5.39,-46.34,;6.72,-47.11,;8.06,-46.34,;8.06,-44.79,;6.72,-44.03,;2.72,-41.7,;1.39,-42.47,;1.39,-44.01,;.06,-41.7,;-1.27,-42.47,;-2.6,-41.7,;-3.93,-42.47,;-5.26,-41.7,;.06,-40.17,;1.6,-39.41,;2.82,-40.16,;7.68,-32.11,;6.91,-30.77,;9.22,-32.11,)|
BDBM50184363 CCCC[C@@H]1NC(=O)CC[C@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H](CCCN=C(N)N)NC1=O)C(N)=O |wU:50.53,10.64,39.41,wD:28.30,14.14,4.3,(.93,3.85,;.93,2.3,;2.02,1.58,;2.02,.06,;3.24,-.65,;4.95,-.02,;4.94,1.52,;3.61,2.29,;6.16,2.3,;6.69,3.59,;8.21,3.8,;8.98,2.46,;9.74,1.13,;11.23,1.54,;10.14,-.37,;11.68,-.37,;12.46,-1.7,;12.45,-3.25,;13.91,-3.73,;14.82,-2.49,;16.35,-2.34,;17,-.93,;16.09,.32,;14.56,.17,;13.92,-1.23,;9.2,-1.58,;9.78,-3.01,;11.33,-3,;9.38,-4.49,;10.47,-5.58,;11.97,-5.19,;13.05,-6.27,;14.55,-5.88,;15.64,-6.97,;17.14,-6.57,;15.25,-8.46,;8.04,-5.26,;6.71,-4.47,;6.72,-2.93,;5.37,-5.24,;5.37,-6.79,;6.7,-7.56,;6.69,-9.11,;8.02,-9.89,;9.36,-9.11,;9.36,-7.56,;8.03,-6.8,;4.02,-4.47,;2.67,-4.89,;2.35,-6.27,;1.63,-3.92,;.28,-4.33,;-.74,-3.38,;-2.07,-3.79,;-3.05,-2.83,;-4.11,-1.89,;-5.45,-2.29,;-3.81,-.52,;1.65,-2.54,;2.9,-2.17,;4.12,-2.92,;8.99,5.14,;8.21,6.48,;10.53,5.13,)|
BDBM50184364 CCCC[C@@H]1NC(=O)CC[C@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H](CCC(N)=O)NC1=O)C(N)=O |wU:10.62,39.41,50.53,wD:28.30,14.14,4.3,(-1.72,-33.99,;-1.72,-35.53,;-.63,-36.25,;-.64,-37.77,;.59,-38.48,;2.29,-37.85,;2.29,-36.31,;.95,-35.55,;3.5,-35.53,;4.03,-34.25,;5.55,-34.04,;6.32,-35.37,;7.08,-36.7,;8.57,-36.29,;7.48,-38.19,;9.02,-38.19,;9.79,-39.53,;9.78,-41.08,;11.25,-41.56,;12.15,-40.32,;13.68,-40.17,;14.32,-38.76,;13.42,-37.51,;11.89,-37.66,;11.26,-39.06,;6.54,-39.41,;7.12,-40.84,;8.67,-40.83,;6.72,-42.32,;7.81,-43.41,;9.3,-43.01,;10.39,-44.1,;11.88,-43.7,;12.97,-44.79,;14.46,-44.4,;12.58,-46.28,;5.38,-43.08,;4.05,-42.3,;4.06,-40.76,;2.71,-43.07,;2.71,-44.61,;4.05,-45.38,;4.04,-46.92,;5.36,-47.7,;6.7,-46.93,;6.7,-45.38,;5.37,-44.61,;1.37,-42.29,;.04,-43.06,;.04,-44.59,;-1.29,-42.29,;-2.49,-43.02,;-3.71,-42.34,;-4.91,-43.06,;-4.88,-44.46,;-6.13,-42.39,;-1.29,-40.76,;.25,-40,;1.47,-40.75,;6.33,-32.7,;5.55,-31.36,;7.87,-32.7,)|
BDBM50184365 CCCC[C@@H]1NC(=O)CC[C@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)[C@@H](CCCN=C(N)N)NC1=O)C(N)=O |wU:54.58,10.69,39.41,wD:28.30,14.14,4.3,(.89,-34.09,;.89,-35.64,;1.98,-36.36,;1.98,-37.88,;3.2,-38.59,;4.91,-37.96,;4.91,-36.42,;3.57,-35.65,;6.12,-35.64,;6.65,-34.35,;8.17,-34.14,;8.94,-35.48,;9.7,-36.82,;11.19,-36.4,;10.1,-38.31,;11.64,-38.31,;12.42,-39.65,;12.41,-41.19,;13.87,-41.67,;14.78,-40.43,;16.32,-40.28,;16.96,-38.88,;16.05,-37.62,;14.52,-37.77,;13.89,-39.17,;9.16,-39.52,;9.74,-40.95,;11.3,-40.95,;9.34,-42.43,;10.44,-43.53,;11.93,-43.13,;13.02,-44.22,;14.51,-43.82,;15.61,-44.91,;17.1,-44.52,;15.21,-46.41,;8,-43.21,;6.67,-42.41,;6.68,-40.87,;5.33,-43.18,;5.33,-44.73,;6.66,-45.51,;7.99,-44.74,;9.32,-45.5,;9.32,-47.05,;10.66,-47.82,;10.66,-49.36,;9.32,-50.14,;7.98,-49.36,;7.98,-47.82,;6.66,-47.05,;3.99,-42.41,;2.63,-42.83,;2.32,-44.21,;1.59,-41.86,;.25,-42.27,;-.78,-41.32,;-2.11,-41.73,;-3.09,-40.77,;-4.15,-39.83,;-5.49,-40.24,;-3.84,-38.46,;1.62,-40.48,;2.86,-40.11,;4.08,-40.86,;8.95,-32.8,;8.17,-31.46,;10.49,-32.81,)|
BDBM50184366 CCCC[C@@H]1NC(=O)CC[C@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)[C@@H]2CCCN2C1=O)C(N)=O |wU:10.66,39.41,wD:28.30,54.62,14.14,4.3,(-2.1,4.1,;-2.1,2.56,;-1.01,1.84,;-1.02,.32,;.21,-.38,;1.91,.24,;1.91,1.78,;.57,2.54,;3.12,2.56,;3.64,3.84,;5.16,4.05,;5.93,2.72,;6.69,1.39,;8.17,1.8,;7.09,-.09,;8.63,-.09,;9.4,-1.43,;9.39,-2.97,;10.85,-3.46,;11.76,-2.22,;13.28,-2.07,;13.92,-.67,;13.02,.59,;11.49,.43,;10.86,-.96,;6.15,-1.31,;6.74,-2.74,;8.28,-2.73,;6.33,-4.22,;7.42,-5.3,;8.91,-4.91,;10,-5.99,;11.48,-5.6,;12.57,-6.69,;14.06,-6.29,;12.17,-8.17,;4.99,-4.98,;3.66,-4.2,;3.67,-2.66,;2.33,-4.96,;2.32,-6.5,;3.65,-7.28,;4.98,-6.51,;6.31,-7.27,;6.31,-8.82,;7.64,-9.59,;7.64,-11.12,;6.3,-11.9,;4.97,-11.12,;4.98,-9.58,;3.65,-8.81,;.99,-4.19,;-.34,-4.96,;-.37,-6.5,;-1.87,-4,;-3.41,-4.17,;-4.04,-2.76,;-2.89,-1.72,;-1.56,-2.49,;-.13,-1.9,;1.09,-2.65,;5.94,5.38,;5.17,6.72,;7.48,5.38,)|
BDBM50186876 COc1ccccc1CCNCc1cccnc1N1CCN(CC1)C(=O)[C@@H](Cc1ccc(Cl)cc1Cl)NC(=O)CCN
BDBM50189008 [#6]-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccc2ccccc2c1)-[#7]-1-[#6]-[#6]-[#7](-[#6@@H](-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6]-1=O)-[#6](=O)-[#6@H](-[#7])-[#6]-c1ccc(F)cc1 |r|
BDBM50189009 [#6]-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccc2ccccc2c1)-[#7]-1-[#6]-[#6]-[#7](-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6]-1=O)-[#6](=O)-[#6]-[#6]-c1ccc(F)cc1
BDBM50189010 [#6]-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccc2ccccc2c1)-[#7]-1-[#6]-[#6]-[#7](-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6]-1=O)-[#6](=O)-[#6@@H](-[#6]-c1ccccc1)-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccc(-[#8])cc1)-[#7]-[#6](-[#6])=O
BDBM50189018 CNC(=O)[C@H](Cc1ccc2ccccc2c1)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(C)=O |wU:4.17,wD:30.40,41.51,19.28,(25,.39,;23.66,1.16,;22.33,.39,;22.33,-1.16,;20.99,1.16,;20.99,2.69,;22.33,3.47,;23.66,2.69,;24.99,3.46,;25,5,;26.33,5.78,;26.33,7.33,;24.97,8.09,;23.64,7.31,;23.65,5.77,;22.33,5,;19.66,.39,;18.33,1.16,;18.33,2.69,;16.99,.39,;16.99,-1.16,;18.33,-1.92,;18.33,-3.47,;19.66,-4.23,;19.66,-5.77,;20.99,-6.54,;18.33,-6.54,;15.66,1.16,;14.33,.39,;14.33,-1.16,;12.99,1.16,;12.99,2.69,;14.33,3.47,;15.66,2.69,;16.99,3.46,;16.99,5,;15.65,5.77,;14.32,4.99,;11.66,.39,;10.32,1.16,;10.32,2.69,;8.99,.39,;8.99,-1.16,;10.32,-1.93,;10.29,-3.46,;11.75,-3.97,;12.68,-2.74,;11.8,-1.47,;7.66,1.16,;6.32,.39,;4.99,1.16,;6.32,-1.16,)|
BDBM50189011 [#6]-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccc2ccccc2c1)-[#7]-1-[#6]-[#6]-[#7](-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6]-1=O)-[#6](=O)-[#6@H](-[#7])-[#6]-c1ccccc1
BDBM50189012 [#6]-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccc2ccccc2c1)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#7])-[#6]-c1ccc(F)cc1
BDBM50189013 CNC(=O)[C@H](Cc1ccc2ccccc2c1)N1CCN([C@@H](CCCN=C(N)N)C1=O)C(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(C)=O |wU:20.22,4.17,32.43,43.54,(1.84,-9.34,;3.18,-8.56,;4.51,-9.34,;4.51,-10.88,;5.85,-8.58,;7.18,-9.35,;7.18,-10.89,;5.84,-11.66,;5.83,-13.19,;7.17,-13.96,;7.17,-15.49,;8.51,-16.27,;9.84,-15.49,;9.83,-13.95,;8.51,-13.19,;8.51,-11.65,;5.85,-7.03,;4.52,-6.26,;4.52,-4.73,;5.86,-3.95,;7.19,-4.72,;8.53,-3.94,;9.85,-4.71,;11.19,-3.94,;12.52,-4.71,;13.86,-3.94,;15.2,-4.7,;13.86,-2.4,;7.19,-6.27,;8.52,-7.04,;5.85,-2.41,;7.19,-1.65,;4.52,-1.65,;3.18,-2.41,;1.84,-1.66,;.51,-2.41,;-.83,-1.66,;-.82,-.11,;.5,.67,;1.84,-.11,;4.52,-.11,;5.85,.66,;7.2,-.11,;5.85,2.21,;7.2,2.98,;8.54,2.21,;8.7,.67,;10.21,.35,;10.99,1.69,;9.95,2.84,;4.52,2.98,;4.51,4.52,;3.18,5.29,;5.85,5.29,)|
BDBM50189183 CC(C)C[C@H](N)c1cccc(F)c1N1CCN(CC1)C(=O)CCc1ccc(Cl)cc1Cl
BDBM50189188 CCC(C)[C@H](NC(=O)CCN)c1cc(ccc1N1CCN(CC1)C(=O)CCc1ccc(Cl)cc1Cl)C(F)(F)F
BDBM50189014 CNC(=O)[C@H](Cc1ccc2ccccc2c1)N1CCN([C@@H](CCCNC(N)=N)C1=O)C(=O)[C@@H](Cc1ccc(F)cc1)NC(C)=O
BDBM50189015 CNC(=O)[C@H](Cc1ccc2ccccc2c1)N1CCN([C@@H](CCCNC(N)=O)C1=O)C(=O)[C@H](N)Cc1ccc(F)cc1
BDBM50189016 CNC(=O)[C@H](Cc1ccc2ccccc2c1)N1CCN([C@@H](CCNC(N)=O)C1=O)C(=O)[C@H](N)Cc1ccc(F)cc1
BDBM50189017 CNC(=O)[C@H](Cc1ccc2ccccc2c1)N1CCN([C@@H](CCN)C1=O)C(=O)[C@H](N)Cc1ccc(F)cc1 |r|
BDBM50189019 [#6]-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccc2ccccc2c1)-[#7]-1-[#6]-[#6]-[#7](-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6]-1=O)-[#6](=O)-[#6@H](-[#7])-[#6]-c1ccc(F)cc1
BDBM50189021 CNC(=O)[C@H](Cc1ccc2ccccc2c1)N1CCN([C@@H](CCCNC(N)=N)C1=O)C(=O)[C@@H](Cc1ccc(F)cc1)NC(=O)C1Cc2ccccc2CN1
BDBM50189022 CNC(=O)[C@H](Cc1ccc2ccccc2c1)N1CCN([C@@H](CCCN=C(N)N)C1=O)C(=O)[C@@H](Cc1ccc(F)cc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(C)=O |wU:20.22,4.17,32.44,44.55,(15.61,-28.99,;16.95,-28.22,;18.29,-29,;18.28,-30.54,;19.62,-28.23,;20.95,-29.01,;20.95,-30.55,;19.61,-31.31,;19.61,-32.85,;20.94,-33.61,;20.94,-35.15,;22.28,-35.93,;23.61,-35.14,;23.6,-33.61,;22.28,-32.85,;22.28,-31.31,;19.63,-26.68,;18.29,-25.92,;18.3,-24.38,;19.63,-23.6,;20.97,-24.38,;22.3,-23.6,;23.63,-24.37,;24.96,-23.6,;26.29,-24.37,;27.63,-23.59,;28.97,-24.36,;27.63,-22.05,;20.96,-25.92,;22.29,-26.69,;19.63,-22.06,;20.96,-21.31,;18.29,-21.31,;16.95,-22.07,;15.62,-21.31,;14.28,-22.07,;12.95,-21.31,;12.95,-19.77,;11.61,-19.01,;14.28,-18.99,;15.61,-19.76,;18.29,-19.77,;19.63,-18.99,;20.97,-19.77,;19.63,-17.45,;20.97,-16.68,;22.31,-17.45,;22.47,-18.98,;23.98,-19.31,;24.76,-17.97,;23.72,-16.82,;18.29,-16.68,;18.29,-15.14,;16.95,-14.37,;19.62,-14.36,)|
BDBM50189023 CNC(=O)[C@H](Cc1ccc2ccccc2c1)N1CCN([C@@H](CCCNC(N)=N)C1=O)C(=O)[C@@H](Cc1ccc(F)cc1)N1CCNCC1
BDBM50189024 [#6]-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccc2ccccc2c1)-[#7]-1-[#6]-[#6]-[#7](-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6]-1=O)-[#6](=O)-[#6@@H](-[#6]-c1ccc(F)cc1)-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccc(-[#8])cc1)-[#7]-[#6](-[#6])=O
BDBM50189025 CNC(=O)[C@H](Cc1ccc2ccccc2c1)N1CCN([C@@H](CCCNC(N)=N)C1=O)C(=O)[C@@H](Cc1ccc(F)cc1)NC(=O)[C@H](CCC(N)=O)NC(C)=O
BDBM50189210 CC(C)C[C@H](NC(=O)CN)c1cc(ccc1N1CCN(CC1)C(=O)CCc1ccc(Cl)cc1Cl)C(F)(F)F
BDBM50191567 [#6]-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccc(-[#8])cc1)-[#6](=O)-[#7]-[#6@H](-[#6]-c1ccccc1)-[#6](=O)-[#7]-1-[#6]-[#6@H](-[#6]-[#6@H]-1-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#8]-[#6]-c1ccc2ccccc2c1
BDBM50191568 [#7]-[#6@@H](-[#6]-[#6](-[#7])=O)-[#6](=O)-[#7]-[#6@H](-[#6]-c1ccccc1)-[#6](=O)-[#7]-1-[#6]-[#6@@H](-[#6]-[#6@H]-1-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#8]-[#6]-c1ccc2ccccc2c1
BDBM50191569 CC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](Cc1ccccc1)C(=O)N1C[C@H](C[C@@H]1CCCN=C(N)N)OCc1ccc2ccccc2c1 |wU:28.31,14.14,4.3,wD:26.38,(12.66,3.78,;13.99,3.01,;13.99,1.47,;15.32,3.78,;16.66,3.01,;17.99,3.78,;17.99,5.32,;16.73,6.23,;17.21,7.69,;18.75,7.7,;19.23,6.23,;16.66,1.47,;17.99,.7,;15.33,.7,;15.33,-.84,;14,-1.61,;12.66,-.84,;11.32,-1.61,;9.99,-.84,;9.99,.7,;11.31,1.47,;12.66,.71,;16.66,-1.61,;18,-.84,;16.66,-3.15,;15.42,-4.06,;15.9,-5.52,;17.44,-5.52,;17.91,-4.05,;19.26,-3.3,;20.58,-4.1,;21.92,-3.35,;23.24,-4.14,;24.59,-3.39,;25.91,-4.18,;24.62,-1.85,;14.99,-6.77,;15.62,-8.17,;14.85,-9.51,;15.63,-10.83,;14.87,-12.17,;13.32,-12.18,;12.56,-13.5,;11.03,-13.51,;10.25,-12.17,;11.02,-10.84,;12.55,-10.84,;13.31,-9.51,)|
BDBM50191570 [#6]-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6](-[#7])=O)-[#6](=O)-[#7]-[#6@H](-[#6]-c1ccccc1)-[#6](=O)-[#7]-1-[#6]-[#6@@H](-[#6]-[#6@@H]-1-[#6](=O)-[#7]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#8]-[#6]-c1ccc2ccccc2c1
BDBM50191571 [#6]-[#6](=O)-[#7]-[#6@H](-[#6]-c1ccccc1)-[#6](=O)-[#7]-1-[#6]-[#6@@H](-[#6]-[#6@@H]-1-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#8]-[#6]-c1ccc2ccccc2c1
BDBM50191572 [#7]-[#6@@H](-[#6]-[#6](-[#7])=O)-[#6](=O)-[#7]-[#6@H](-[#6]-c1ccccc1)-[#6](=O)-[#7]-1-[#6]-[#6@H](-[#6]-[#6@H]-1-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#8]-[#6]-c1ccc2ccccc2c1
BDBM50191573 [#6]-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccccc1)-[#6](=O)-[#7]-[#6@H](-[#6]-c1ccccc1)-[#6](=O)-[#7]-1-[#6]-[#6@@H](-[#6]-[#6@@H]-1-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#8]-[#6]-c1ccc2ccccc2c1
BDBM50191574 [#7]\[#6](-[#7])=[#7]\[#6]-[#6]-[#6]-[#6@@H]-1-[#6]-[#6@H](-[#6]-[#7]-1-[#6](=O)-[#6@@H](-[#6]-c1ccccc1)-[#7]-[#6](=O)-[#6]-1-[#6]-[#6]-[#6]-[#6]-[#7]-1)-[#8]-[#6]-c1ccc2ccccc2c1
BDBM50191575 CC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](Cc1ccccc1)C(=O)N1C[C@@H](C[C@H]1CCCN=C(N)N)OCc1ccc2ccccc2c1 |wU:14.14,26.38,4.3,wD:28.31,(10.98,-16.28,;12.31,-17.05,;12.32,-18.59,;13.65,-16.27,;14.98,-17.04,;16.31,-16.27,;16.31,-14.73,;15.06,-13.83,;15.53,-12.36,;17.07,-12.36,;17.55,-13.82,;14.98,-18.58,;16.32,-19.35,;13.65,-19.35,;13.65,-20.89,;12.32,-21.67,;10.98,-20.9,;9.64,-21.67,;8.31,-20.9,;8.31,-19.35,;9.64,-18.58,;10.98,-19.35,;14.99,-21.66,;16.32,-20.89,;14.99,-23.2,;13.74,-24.11,;14.22,-25.57,;15.76,-25.57,;16.23,-24.11,;17.58,-23.36,;18.9,-24.15,;20.25,-23.4,;21.57,-24.19,;22.91,-23.44,;24.24,-24.24,;22.94,-21.9,;13.31,-26.82,;13.94,-28.23,;13.18,-29.56,;13.95,-30.89,;13.19,-32.22,;11.64,-32.23,;10.88,-33.55,;9.35,-33.56,;8.58,-32.23,;9.34,-30.9,;10.88,-30.9,;11.63,-29.56,)|
BDBM50191576 [#7]\[#6](-[#7])=[#7]\[#6]-[#6]-[#6]-[#6@H]-1-[#6]-[#6@H](-[#6]-[#7]-1-[#6](=O)-[#6@@H](-[#6]-c1ccccc1)-[#7]-[#6](=O)-[#6@@H]-1-[#6]-[#6]-[#6]-[#6]-[#7]-1)-[#8]-[#6]-c1ccc2ccccc2c1
BDBM50191577 [#7]\[#6](-[#7])=[#7]\[#6]-[#6]-[#6]-[#6@@H]-1-[#6]-[#6@H](-[#6]-[#7]-1-[#6](=O)-[#6@@H](-[#6]-c1ccccc1)-[#7]-[#6](=O)-[#6]-1-[#6]-c2ccccc2-[#6]-[#7]-1)-[#8]-[#6]-c1ccc2ccccc2c1
BDBM50191578 [#7]\[#6](-[#7])=[#7]\[#6]-[#6]-[#6]-[#6@H]-1-[#6]-[#6@H](-[#6]-[#7]-1-[#6](=O)-[#6@@H](-[#6]-c1ccccc1)-[#7]-[#6](=O)-[#6@@H]-1-[#6]-[#6]-[#6]-[#7]-1)-[#8]-[#6]-c1ccc2ccccc2c1
BDBM50191580 CC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](Cc1ccccc1)C(=O)N1C[C@@H](C[C@@H]1C(=O)NCCN=C(N)N)OCc1ccc2ccccc2c1 |wU:28.31,14.14,26.40,wD:4.3,(-.65,-12.93,;-1.99,-13.7,;-1.98,-15.24,;-3.32,-12.93,;-4.65,-13.71,;-5.99,-12.94,;-5.99,-11.4,;-7.24,-10.5,;-6.77,-9.03,;-5.23,-9.03,;-4.75,-10.49,;-4.65,-15.25,;-3.32,-16.01,;-5.98,-16.02,;-5.98,-17.56,;-7.32,-18.33,;-8.65,-17.56,;-9.99,-18.33,;-11.32,-17.56,;-11.32,-16.02,;-10,-15.25,;-8.66,-16.01,;-4.65,-18.33,;-3.32,-17.55,;-4.65,-19.87,;-5.89,-20.77,;-5.42,-22.24,;-3.88,-22.24,;-3.4,-20.77,;-2.06,-20.02,;-2.03,-18.48,;-.73,-20.81,;.61,-20.06,;1.93,-20.86,;3.28,-20.11,;4.6,-20.9,;5.95,-20.15,;4.58,-22.44,;-6.32,-23.48,;-5.69,-24.89,;-6.46,-26.23,;-5.69,-27.55,;-6.45,-28.88,;-7.99,-28.89,;-8.76,-30.22,;-10.28,-30.22,;-11.06,-28.89,;-10.29,-27.56,;-8.76,-27.56,;-8,-26.23,)|
BDBM50191581 [#7]\[#6](-[#7])=[#7]\[#6]-[#6]-[#7]-[#6](=O)-[#6@H]-1-[#6]-[#6@H](-[#6]-[#7]-1-[#6](=O)-[#6@@H](-[#6]-c1ccccc1)-[#7]-[#6](=O)-[#6@@H]-1-[#6]-[#6]-[#6]-[#6]-[#7]-1)-[#8]-[#6]-c1ccc2ccccc2c1
BDBM50191582 [#7]\[#6](-[#7])=[#7]\[#6]-[#6]-[#6]-[#6@@H]-1-[#6]-[#6@@H](-[#6]-[#7]-1-[#6](=O)-[#6@@H](-[#6]-c1ccccc1)-[#7]-[#6](=O)-[#6]-1-[#6]-c2ccccc2-[#6]-[#7]-1)-[#8]-[#6]-c1ccc2ccccc2c1
BDBM50191583 [#6]-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccc(-[#8])cc1)-[#6](=O)-[#7]-[#6@H](-[#6]-c1ccccc1)-[#6](=O)-[#7]-1-[#6]-[#6@@H](-[#6]-[#6@H]-1-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#8]-[#6]-c1ccc2ccccc2c1
BDBM50191551 N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](Cc1ccccc1)C(=O)N1C[C@@H](C[C@@H]1C(=O)NCCN=C(N)N)OCc1ccc2ccccc2c1 |wU:25.28,11.11,23.37,wD:1.0,(15.6,-11.59,;14.27,-12.36,;12.94,-11.59,;12.94,-10.05,;11.68,-9.15,;12.16,-7.69,;13.7,-7.69,;14.17,-9.15,;14.27,-13.9,;15.61,-14.67,;12.94,-14.67,;12.94,-16.21,;11.61,-16.99,;10.27,-16.22,;8.93,-16.99,;7.6,-16.22,;7.6,-14.67,;8.93,-13.9,;10.27,-14.67,;14.28,-16.98,;15.61,-16.21,;14.28,-18.52,;13.03,-19.43,;13.51,-20.89,;15.05,-20.89,;15.52,-19.43,;16.87,-18.68,;16.89,-17.14,;18.19,-19.47,;19.54,-18.72,;20.86,-19.51,;22.2,-18.76,;23.52,-19.56,;24.87,-18.81,;23.5,-21.1,;12.6,-22.14,;13.23,-23.55,;12.47,-24.88,;13.24,-26.21,;12.48,-27.54,;10.93,-27.55,;10.17,-28.87,;8.64,-28.88,;7.87,-27.55,;8.63,-26.22,;10.17,-26.22,;10.92,-24.88,)|
BDBM50191552 [#6]-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccc(-[#8])cc1)-[#6](=O)-[#7]-[#6@H](-[#6]-c1ccccc1)-[#6](=O)-[#7]-1-[#6]-[#6@H](-[#6]-[#6@@H]-1-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#8]-[#6]-c1ccc2ccccc2c1
BDBM50191553 [#6]-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6](-[#7])=O)-[#6](=O)-[#7]-[#6@H](-[#6]-c1ccccc1)-[#6](=O)-[#7]-1-[#6]-[#6@@H](-[#6]-[#6@@H]-1-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#8]-[#6]-c1ccc2ccccc2c1
BDBM50191554 CC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](Cc1ccccc1)C(=O)N1C[C@@H](C[C@@H]1CCCN=C(N)N)OCc1ccc2ccccc2c1 |wU:28.31,14.14,26.38,wD:4.3,(17.84,3.85,;16.5,3.08,;16.5,1.54,;15.17,3.85,;13.84,3.08,;12.5,3.85,;12.5,5.39,;11.25,6.28,;11.72,7.75,;13.26,7.75,;13.74,6.28,;13.84,1.54,;15.17,.77,;12.5,.77,;12.51,-.77,;11.17,-1.54,;9.84,-.77,;8.5,-1.55,;7.16,-.77,;7.17,.77,;8.49,1.54,;9.83,.78,;13.84,-1.54,;15.17,-.77,;13.84,-3.08,;12.59,-3.99,;13.07,-5.45,;14.61,-5.45,;15.09,-3.98,;16.43,-3.24,;17.75,-4.03,;19.1,-3.28,;20.42,-4.07,;21.77,-3.32,;23.09,-4.11,;21.79,-1.78,;12.17,-6.7,;12.8,-8.1,;12.03,-9.44,;12.8,-10.76,;12.04,-12.1,;10.49,-12.11,;9.73,-13.43,;8.2,-13.44,;7.43,-12.1,;8.2,-10.78,;9.73,-10.78,;10.49,-9.44,)|
BDBM50191555 [#7]\[#6](-[#7])=[#7]\[#6]-[#6]-[#7]-[#6](=O)-[#6@H]-1-[#6]-[#6@H](-[#6]-[#7]-1-[#6](=O)-[#6@@H](-[#6]-c1ccccc1)-[#7]-[#6](=O)-[#6@@H]-1-[#6]-c2ccccc2-[#6]-[#7]-1)-[#8]-[#6]-c1ccc2ccccc2c1
BDBM50191556 [#7]\[#6](-[#7])=[#7]\[#6]-[#6]-[#6]-[#6@H]-1-[#6]-[#6@H](-[#6]-[#7]-1-[#6](=O)-[#6@@H](-[#6]-c1ccccc1)-[#7]-[#6](=O)-[#6@@H]-1-[#6]-c2ccccc2-[#6]-[#7]-1)-[#8]-[#6]-c1ccc2ccccc2c1
BDBM50191557 [#7]\[#6](-[#7])=[#7]\[#6]-[#6]-[#6]-[#6@H]-1-[#6]-[#6@@H](-[#6]-[#7]-1-[#6](=O)-[#6@@H](-[#6]-c1ccccc1)-[#7]-[#6](=O)-[#6]-1-[#6]-c2ccccc2-[#6]-[#7]-1)-[#8]-[#6]-c1ccc2ccccc2c1
BDBM50191558 [#7]\[#6](-[#7])=[#7]\[#6]-[#6]-[#6]-[#6@H]-1-[#6]-[#6@H](-[#6]-[#7]-1-[#6](=O)-[#6@@H](-[#6]-c1ccccc1)-[#7]-[#6](=O)-[#6]-[#6]-c1ccccc1)-[#8]-[#6]-c1ccc2ccccc2c1
BDBM50191559 [#7]-[#6@H](-[#6]-c1ccccc1)-[#6](=O)-[#7]-1-[#6]-[#6@@H](-[#6]-[#6@@H]-1-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#8]-[#6]-c1ccc2ccccc2c1
BDBM50191560 [#7]-[#6@@H](-[#6]-[#6](-[#7])=O)-[#6](=O)-[#7]-[#6@H](-[#6]-c1ccccc1)-[#6](=O)-[#7]-1-[#6]-[#6@H](-[#6]-[#6@@H]-1-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#8]-[#6]-c1ccc2ccccc2c1
BDBM50191561 [#7]\[#6](-[#7])=[#7]\[#6]-[#6]-[#6]-[#6@H]-1-[#6]-[#6@@H](-[#6]-[#7]-1-[#6](=O)-[#6@@H](-[#6]-c1ccccc1)-[#7]-[#6](=O)-[#6]-1-[#6]-[#6]-[#6]-[#6]-[#7]-1)-[#8]-[#6]-c1ccc2ccccc2c1
BDBM50191562 [#7]\[#6](-[#7])=[#7]\[#6]-[#6]-[#6]-[#6@@H]-1-[#6]-[#6@@H](-[#6]-[#7]-1-[#6](=O)-[#6@@H](-[#6]-c1ccccc1)-[#7]-[#6](=O)-[#6]-1-[#6]-[#6]-[#6]-[#6]-[#7]-1)-[#8]-[#6]-c1ccc2ccccc2c1
BDBM50191563 [#6]-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccc(-[#8])cc1)-[#6](=O)-[#7]-[#6@H](-[#6]-c1ccccc1)-[#6](=O)-[#7]-1-[#6]-[#6@@H](-[#6]-[#6@@H]-1-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#8]-[#6]-c1ccc2ccccc2c1
BDBM50191564 [#6]-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccc(-[#8])cc1)-[#6](=O)-[#7]-[#6@H](-[#6]-c1ccccc1)-[#6](=O)-[#7]-1-[#6]-[#6@@H](-[#6]-[#6@@H]-1-[#6](=O)-[#7]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#8]-[#6]-c1ccc2ccccc2c1
BDBM50191565 CC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](Cc1ccccc1)C(=O)N1C[C@H](C[C@H]1CCCN=C(N)N)OCc1ccc2ccccc2c1 |wU:14.14,4.3,wD:28.31,26.38,(8.94,3.78,;10.28,3.01,;10.28,1.47,;11.61,3.78,;12.95,3.01,;14.28,3.78,;14.28,5.32,;13.02,6.23,;13.5,7.69,;15.04,7.7,;15.51,6.23,;12.95,1.47,;14.28,.7,;11.61,.7,;11.62,-.84,;10.28,-1.61,;8.95,-.84,;7.61,-1.61,;6.27,-.84,;6.28,.7,;7.6,1.47,;8.94,.71,;12.95,-1.61,;14.28,-.84,;12.95,-3.15,;11.7,-4.06,;12.18,-5.52,;13.72,-5.52,;14.2,-4.05,;15.54,-3.3,;16.86,-4.1,;18.21,-3.35,;19.53,-4.14,;20.88,-3.39,;22.2,-4.18,;20.9,-1.85,;11.28,-6.77,;11.91,-8.17,;11.14,-9.51,;11.91,-10.83,;11.15,-12.17,;9.6,-12.18,;8.84,-13.5,;7.31,-13.51,;6.54,-12.17,;7.31,-10.84,;8.84,-10.84,;9.6,-9.51,)|
BDBM50191566 [#7]\[#6](-[#7])=[#7]\[#6]-[#6]-[#7]-[#6](=O)-[#6@H]-1-[#6]-[#6@H](-[#6]-[#7]-1-[#6](=O)-[#6@@H](-[#6]-c1ccccc1)-[#7]-[#6](=O)-[#6]-1-[#6]-[#6]-[#7]-[#6]-[#6]-1)-[#8]-[#6]-c1ccc2ccccc2c1
BDBM50190975 CC(C)C[C@H](N)c1cc(C)ccc1N1CCN(CC1)C(=O)[C@H](C)Cc1ccc(Cl)cc1
BDBM50190976 COc1cc(Cl)ccc1CC(C)C(=O)N1CCN(CC1)c1ccc(cc1[C@@H](N)CC(C)C)C(F)(F)F
BDBM50193829 O=C(CCC(=O)N1C[C@@H]2CCCN2C[C@H]1Cc1ccccc1)NCCc1c[nH]c2ccccc12
BDBM50193830 O=C(CCc1c[nH]c2ccccc12)N1C[C@@H]2CCCN2C[C@@H]1Cc1ccccc1
BDBM50193831 O=C(CCc1c[nH]c2ccccc12)NCCCCCC(=O)N1C[C@@H]2CCCN2C[C@@H]1Cc1ccccc1
BDBM50193832 O=C(CCc1c[nH]c2ccccc12)N1C[C@@H]2CCCN2C[C@H]1Cc1ccccc1
BDBM50193833 NC(N)=NCCC[C@H](NC(=O)CCc1c[nH]c2ccccc12)C(=O)N1C[C@@H]2CCCN2C[C@@H]1Cc1ccccc1 |wU:7.7,32.36,26.32,(10.03,-44.77,;8.72,-43.97,;7.37,-44.71,;8.75,-42.43,;7.43,-41.63,;7.46,-40.09,;6.15,-39.29,;6.18,-37.75,;7.51,-36.98,;8.84,-37.75,;8.85,-39.29,;10.18,-36.98,;11.51,-37.74,;12.84,-36.97,;13,-35.46,;14.5,-35.13,;15.28,-36.46,;16.77,-36.78,;17.25,-38.23,;16.22,-39.38,;14.72,-39.06,;14.25,-37.6,;4.88,-36.93,;4.85,-35.42,;3.51,-37.64,;2.21,-36.81,;.85,-37.54,;-.6,-37,;-1.56,-38.23,;-.68,-39.48,;.79,-39.07,;2.09,-39.88,;3.57,-39.24,;4.87,-40.06,;4.89,-41.6,;3.56,-42.38,;3.58,-43.92,;4.93,-44.67,;6.26,-43.87,;6.23,-42.34,)|
BDBM50193834 O=C(CCC(=O)N1C[C@@H]2CCCN2C[C@@H]1Cc1ccccc1)NCCc1c[nH]c2ccccc12
BDBM50193835 O=C(Cc1ccccc1)N1C[C@@H]2CCCN2C[C@@H]1Cc1ccccc1
BDBM50193836 O=C(Cc1ccccc1)N1C[C@@H]2CCCN2C[C@H]1Cc1ccccc1
BDBM50200358 CC(=O)N[C@H]1CCC(=O)NCCC[C@H](N(CCCCN=C(N)N)C(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2cnc[nH]2)NC1=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O |wU:49.51,25.25,4.3,13.48,wD:36.37,(10.5,-9.93,;9.18,-9.13,;9.2,-7.59,;7.83,-9.88,;6.5,-9.08,;5.1,-9.88,;5.11,-11.37,;3.99,-11.85,;3.96,-13.39,;2.42,-11.09,;3.76,-9.04,;3.81,-7.51,;2.5,-6.7,;1.15,-7.42,;-.16,-6.61,;-1.52,-7.34,;-2.82,-6.53,;-4.18,-7.26,;-5.49,-6.44,;-6.85,-7.17,;-8.15,-6.36,;-9.51,-7.09,;-8.1,-4.82,;-.11,-5.07,;-1.42,-4.26,;1.24,-4.34,;1.29,-2.81,;-.02,-2,;.03,-.46,;-1.27,.34,;-2.63,-.39,;-2.68,-1.93,;-1.36,-2.74,;2.56,-5.15,;3.91,-4.38,;3.92,-2.84,;5.24,-5.17,;6.58,-4.41,;6.59,-2.87,;5.37,-1.96,;5.86,-.5,;7.41,-.51,;7.86,-1.99,;5.16,-6.78,;6.53,-7.54,;7.86,-6.77,;1.1,-8.96,;2.4,-9.77,;-.26,-9.69,;-.29,-11.24,;1.06,-11.96,;1.11,-13.5,;-.11,-14.44,;.41,-15.89,;1.95,-15.85,;3.01,-16.96,;4.51,-16.59,;4.94,-15.11,;3.87,-14.01,;2.38,-14.37,;-1.64,-11.98,;-2.96,-11.18,;-1.68,-13.52,)|
BDBM50200361 CC(=O)N[C@H]1CSSC[C@H](NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2cnc[nH]2)NC1=O)C(=O)N(CCCCN=C(N)N)[C@@H](Cc1c[nH]c2ccccc12)C(N)=O |wU:13.13,9.36,24.25,wD:45.47,4.3,(8.14,-10.65,;8.91,-11.98,;10.45,-11.98,;8.14,-13.32,;6.6,-13.32,;5.83,-11.98,;6.6,-10.65,;5.83,-9.31,;4.29,-9.31,;3.52,-10.65,;1.98,-10.65,;1.21,-11.98,;-.33,-11.98,;1.98,-13.32,;.44,-13.32,;-.33,-14.65,;.44,-15.98,;-.33,-17.32,;-1.87,-17.32,;-2.64,-15.98,;-1.87,-14.65,;1.21,-14.65,;1.98,-15.98,;1.21,-17.32,;3.52,-15.98,;4.29,-17.32,;3.52,-18.65,;1.98,-18.81,;1.66,-20.32,;3,-21.09,;4.14,-20.06,;4.29,-14.65,;5.83,-14.65,;6.6,-15.98,;2.75,-9.31,;1.21,-9.31,;3.52,-7.98,;5.06,-7.98,;5.83,-6.65,;7.37,-6.65,;8.14,-5.31,;9.68,-5.31,;10.45,-3.98,;11.99,-3.98,;9.68,-2.65,;2.75,-6.65,;3.52,-5.31,;2.75,-3.98,;1.21,-3.82,;.89,-2.31,;2.23,-1.54,;2.55,-.04,;4.01,.44,;5.16,-.59,;4.84,-2.1,;3.37,-2.57,;1.21,-6.65,;.44,-5.31,;.44,-7.98,)|
BDBM50200355 CC(=O)N[C@H]1CCC(=O)NCCC(N(CCCCN=C(N)N)C(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2cnc[nH]2)NC1=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O |wU:48.50,4.3,24.24,wD:35.36,(15.48,-8.37,;14.16,-7.58,;14.18,-6.04,;12.81,-8.32,;11.48,-7.53,;10.07,-8.33,;10.08,-9.82,;8.97,-10.3,;8.94,-11.84,;7.4,-9.54,;8.79,-5.95,;7.48,-5.14,;6.12,-5.87,;4.81,-5.06,;3.45,-5.78,;2.15,-4.97,;.79,-5.7,;-.52,-4.89,;-1.88,-5.61,;-3.19,-4.8,;-4.54,-5.53,;-3.14,-3.26,;4.86,-3.51,;3.55,-2.71,;6.22,-2.78,;6.27,-1.24,;4.95,-.44,;5,1.1,;3.69,1.91,;2.34,1.18,;2.3,-.37,;3.61,-1.17,;7.54,-3.59,;8.88,-2.83,;8.89,-1.28,;10.21,-3.61,;11.55,-2.85,;11.56,-1.31,;10.35,-.39,;10.84,1.07,;12.39,1.05,;12.84,-.43,;10.14,-5.23,;11.51,-5.98,;12.85,-5.21,;6.07,-7.41,;7.38,-8.22,;4.72,-8.14,;4.68,-9.68,;6.04,-10.41,;6.09,-11.95,;4.86,-12.89,;5.38,-14.34,;6.92,-14.3,;7.99,-15.41,;9.49,-15.04,;9.92,-13.56,;8.85,-12.45,;7.36,-12.82,;3.32,-10.42,;2.01,-9.62,;3.29,-11.96,)|
BDBM50200356 CC(=O)N[C@H]1CSSC[C@H](NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2cnc[nH]2)NC1=O)C(=O)N(CCCCN=C(N)N)[C@H](Cc1c[nH]c2ccccc12)C(N)=O |wU:9.36,13.13,4.3,wD:45.47,24.25,(31.59,-14.47,;30.28,-13.65,;30.34,-12.11,;28.93,-14.38,;27.63,-13.57,;26.27,-14.29,;25.04,-13.42,;25.01,-11.88,;23.66,-11.14,;22.34,-11.93,;21.03,-11.15,;21.05,-9.6,;19.73,-8.81,;22.41,-8.85,;22.43,-7.31,;21.1,-6.51,;19.75,-7.27,;18.43,-6.47,;18.45,-4.92,;19.8,-4.17,;21.13,-4.97,;23.73,-9.64,;25.08,-8.89,;25.1,-7.35,;26.4,-9.68,;27.74,-8.94,;27.76,-7.4,;29.02,-6.52,;28.56,-5.04,;27.03,-5.02,;26.53,-6.47,;26.37,-11.21,;27.68,-12.03,;29.04,-11.3,;22.36,-13.47,;23.72,-14.22,;21.05,-14.26,;19.72,-13.49,;18.39,-14.26,;17.06,-13.5,;15.73,-14.26,;14.4,-13.5,;13.07,-14.27,;11.73,-13.5,;13.07,-15.8,;21.03,-15.8,;22.39,-16.52,;22.46,-18.06,;21.24,-19.01,;21.78,-20.44,;23.32,-20.39,;24.39,-21.5,;25.88,-21.11,;26.3,-19.63,;25.22,-18.53,;23.73,-18.91,;19.69,-16.56,;19.66,-18.09,;18.36,-15.77,)|
BDBM50200357 CC(=O)N[C@H]1CCC(=O)NCCC[C@H](N(CCCCN=C(N)N)C(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](Cc2cnc[nH]2)NC1=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O |wU:25.25,4.3,13.53,53.56,wD:40.42,(21.17,-13.43,;19.85,-12.64,;19.87,-11.1,;18.5,-13.39,;17.17,-12.59,;15.76,-13.39,;15.77,-14.88,;14.66,-15.36,;14.63,-16.9,;13.08,-14.6,;14.42,-12.55,;14.47,-11.01,;13.17,-10.2,;11.81,-10.93,;10.5,-10.11,;9.14,-10.84,;7.83,-10.03,;6.48,-10.76,;5.17,-9.94,;3.81,-10.67,;2.5,-9.86,;1.14,-10.59,;2.55,-8.32,;10.55,-8.57,;9.24,-7.76,;11.91,-7.85,;11.96,-6.3,;10.64,-5.5,;10.69,-3.96,;9.39,-3.15,;8.03,-3.89,;6.73,-3.08,;5.37,-3.8,;5.33,-5.35,;6.63,-6.15,;7.98,-5.43,;9.29,-6.24,;13.22,-8.65,;14.57,-7.89,;14.58,-6.34,;15.91,-8.67,;17.24,-7.91,;17.25,-6.37,;16.03,-5.46,;16.53,-3.99,;18.08,-4.01,;18.53,-5.49,;15.83,-10.29,;17.2,-11.04,;18.53,-10.27,;11.76,-12.47,;13.06,-13.28,;10.4,-13.2,;10.37,-14.74,;11.72,-15.47,;11.78,-17.01,;10.55,-17.95,;11.07,-19.4,;12.61,-19.36,;13.68,-20.47,;15.18,-20.1,;15.61,-18.63,;14.54,-17.52,;13.04,-17.88,;9.01,-15.49,;7.7,-14.69,;8.98,-17.03,)|
BDBM50205742 CCCC[C@@H](NC(C)=O)C(=O)N[C@@H](CC(O)=O)C(=O)NC1Cc2ccccc2CN([C@@H](Cc2ccccc2)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCCN)C(N)=O)C1=O |wU:4.4,52.53,30.30,wD:41.42,66.69,12.11,(.82,-15.62,;-.68,-15.22,;-1.08,-13.74,;-2.57,-13.35,;-2.98,-11.87,;-4.47,-11.48,;-5.56,-12.59,;-7.07,-12.19,;-5.15,-14.09,;-1.9,-10.77,;-.41,-11.16,;-2.3,-9.29,;-1.22,-8.19,;.27,-8.58,;1.35,-7.49,;2.84,-7.88,;.94,-6,;-1.63,-6.71,;-3.13,-6.4,;-.6,-5.56,;-1.09,-4.1,;-2.83,-3.88,;-3.67,-2.43,;-5.34,-2.71,;-6.42,-1.4,;-5.82,.18,;-4.13,.46,;-3.07,-.85,;-1.47,-.32,;-.07,-1.27,;1.26,-.5,;1.25,1.05,;2.58,1.82,;3.9,1.06,;5.23,1.84,;5.22,3.38,;3.88,4.14,;2.56,3.36,;2.6,-1.26,;2.6,-2.8,;3.92,-.48,;5.27,-1.24,;5.27,-2.78,;6.61,-3.55,;6.61,-5.08,;7.95,-5.84,;7.96,-7.39,;6.63,-8.16,;9.3,-8.15,;6.59,-.47,;6.58,1.07,;7.93,-1.23,;9.25,-.45,;9.25,1.09,;10.57,1.86,;11.92,1.38,;12.92,2.55,;12.12,3.86,;12.57,5.32,;11.52,6.45,;10.02,6.09,;9.57,4.63,;10.62,3.5,;10.59,-1.22,;10.6,-2.75,;11.92,-.44,;13.26,-1.2,;13.27,-2.74,;14.6,-3.5,;14.61,-5.04,;15.95,-5.8,;15.96,-7.34,;14.59,-.42,;15.92,-1.18,;14.58,1.12,;.08,-2.96,;1.52,-3.5,)|
BDBM50205743 CCCC[C@H](N)C(=O)N[C@H]1CC(=O)NCCCC[C@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](Cc2ccccc2)N2Cc3ccccc3CC(NC1=O)C2=O)C(N)=O |wU:36.38,9.8,wD:47.49,22.22,18.75,4.4,(-1.38,-16.95,;.11,-16.56,;.51,-15.07,;1.99,-14.67,;2.4,-13.19,;1.31,-12.1,;3.88,-12.79,;4.97,-13.88,;4.28,-11.3,;5.77,-10.91,;5.37,-12.39,;6.66,-13.23,;6.73,-14.77,;7.85,-12.27,;7.32,-10.83,;8.13,-9.59,;9.69,-9.6,;10.5,-8.27,;12.04,-8.31,;12.83,-6.94,;12.07,-5.59,;12.85,-4.26,;10.53,-5.57,;11.29,-4.23,;12.37,-3.14,;13.9,-3.37,;14.6,-1.99,;13.51,-.91,;13.58,.63,;12.29,1.47,;10.91,.76,;10.84,-.77,;12.13,-1.6,;9.79,-4.3,;8.24,-4.29,;7.47,-5.62,;7.48,-2.95,;8.25,-1.62,;7.48,-.29,;8.25,1.04,;7.48,2.38,;8.25,3.71,;7.49,5.04,;9.8,3.7,;5.94,-2.95,;5.14,-4.28,;5.89,-5.62,;3.6,-4.27,;2.85,-2.92,;1.31,-2.9,;.57,-1.55,;-.97,-1.53,;-1.75,-2.86,;-1,-4.2,;.54,-4.22,;2.65,-5.45,;1.12,-5.17,;-.05,-6.17,;-1.42,-5.47,;-2.73,-6.31,;-2.65,-7.86,;-1.27,-8.56,;.02,-7.72,;1.27,-8.64,;2.76,-8.25,;3.52,-9.58,;5,-9.54,;5.75,-8.2,;3.38,-6.82,;5.09,-6.94,;12.79,-9.65,;12,-10.97,;14.32,-9.67,)|
BDBM50205744 CCCC[C@H](N)C(=O)N[C@H]1CC(=O)NCCCC[C@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](Cc2ccc3ccccc3c2)N2Cc3ccccc3CC(NC1=O)C2=O)C(N)=O |wU:36.38,9.8,wD:47.49,22.22,18.80,4.4,(-4.16,-15.01,;-2.68,-14.61,;-2.28,-13.13,;-.79,-12.73,;-.39,-11.24,;-1.48,-10.15,;1.1,-10.85,;2.19,-11.94,;1.5,-9.36,;2.99,-8.96,;2.59,-10.45,;3.88,-11.29,;3.95,-12.82,;5.07,-10.33,;4.53,-8.89,;5.34,-7.65,;6.91,-7.66,;7.71,-6.32,;9.25,-6.36,;10.05,-5,;9.29,-3.64,;10.06,-2.32,;7.74,-3.63,;8.5,-2.29,;9.59,-1.19,;11.12,-1.42,;11.81,-.04,;10.72,1.04,;10.79,2.57,;9.5,3.41,;8.13,2.7,;8.06,1.17,;9.35,.34,;7,-2.36,;5.46,-2.34,;4.69,-3.67,;4.69,-1,;5.47,.32,;4.7,1.66,;5.47,2.99,;4.7,4.32,;5.47,5.65,;4.7,6.99,;7.01,5.65,;3.15,-1.01,;2.36,-2.34,;3.11,-3.67,;.82,-2.32,;.07,-.98,;-1.47,-.96,;-2.24,-2.27,;-3.78,-2.26,;-4.54,-.91,;-6.07,-.9,;-6.83,.43,;-6.05,1.77,;-4.51,1.76,;-3.75,.42,;-2.21,.39,;-.14,-3.51,;-1.66,-3.22,;-2.83,-4.23,;-4.2,-3.53,;-5.51,-4.36,;-5.43,-5.91,;-4.06,-6.61,;-2.76,-5.78,;-1.51,-6.7,;-.02,-6.3,;.73,-7.64,;2.21,-7.6,;2.96,-6.26,;.59,-4.88,;2.3,-5,;10,-7.7,;9.21,-9.02,;11.54,-7.73,)|
BDBM50205745 CCCC[C@H](N)C(=O)N[C@H]1CC(=O)NCCCC[C@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](Cc2cnc[nH]2)NC1=O)C(N)=O |wU:36.38,9.8,62.66,wD:47.49,22.22,18.77,4.4,(-.77,-36.46,;.71,-36.07,;1.11,-34.58,;2.6,-34.18,;3,-32.7,;1.91,-31.61,;4.49,-32.3,;5.58,-33.39,;4.89,-30.81,;6.38,-30.41,;5.98,-31.9,;7.27,-32.74,;7.34,-34.28,;8.46,-31.78,;7.92,-30.34,;8.73,-29.1,;10.3,-29.11,;11.1,-27.78,;12.65,-27.81,;13.44,-26.45,;12.68,-25.09,;13.46,-23.77,;11.14,-25.08,;11.89,-23.74,;12.98,-22.65,;14.51,-22.87,;15.21,-21.49,;14.11,-20.41,;14.19,-18.88,;12.9,-18.04,;11.52,-18.75,;11.45,-20.28,;12.74,-21.11,;10.39,-23.81,;8.85,-23.8,;8.08,-25.12,;8.09,-22.46,;8.86,-21.13,;8.09,-19.79,;8.86,-18.46,;8.09,-17.13,;8.86,-15.8,;8.09,-14.46,;10.41,-15.8,;6.54,-22.46,;5.75,-23.79,;6.5,-25.12,;4.21,-23.77,;3.46,-22.43,;1.92,-22.41,;1.15,-23.73,;-.39,-23.71,;-1.15,-22.36,;-2.67,-22.35,;-3.43,-21.03,;-2.66,-19.7,;-1.12,-19.71,;-.37,-21.04,;1.18,-21.06,;3.25,-24.96,;3.99,-26.33,;5.7,-26.45,;3.37,-27.76,;1.83,-27.84,;.73,-28.93,;.96,-30.46,;-.42,-31.16,;-1.51,-30.06,;-.8,-28.68,;4.12,-29.09,;5.6,-29.05,;6.36,-27.71,;13.4,-29.16,;12.61,-30.47,;14.93,-29.18,)|
BDBM50205746 CCCC[C@H](N)C(=O)N[C@H]1CC(=O)NCCCC[C@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](Cc2ccc(Cl)cc2)N2Cc3ccccc3CC(NC1=O)C2=O)C(N)=O |wU:36.38,9.8,wD:47.49,22.22,18.76,4.4,(-2.07,-39.49,;-.59,-39.09,;-.18,-37.61,;1.3,-37.21,;1.7,-35.72,;.62,-34.63,;3.19,-35.33,;4.28,-36.42,;3.59,-33.84,;5.08,-33.44,;4.68,-34.93,;5.97,-35.77,;6.04,-37.3,;7.16,-34.81,;6.62,-33.37,;7.43,-32.13,;9,-32.14,;9.8,-30.8,;11.35,-30.84,;12.14,-29.47,;11.38,-28.12,;12.16,-26.8,;9.84,-28.11,;10.59,-26.77,;11.68,-25.67,;13.21,-25.9,;13.91,-24.52,;12.81,-23.44,;12.89,-21.91,;11.6,-21.07,;10.22,-21.78,;10.15,-23.31,;11.44,-24.14,;9.09,-26.84,;7.55,-26.82,;6.78,-28.15,;6.79,-25.48,;7.56,-24.16,;6.79,-22.82,;7.56,-21.49,;6.79,-20.16,;7.56,-18.83,;6.79,-17.49,;9.11,-18.83,;5.24,-25.49,;4.45,-26.82,;5.2,-28.15,;2.91,-26.8,;2.16,-25.46,;.62,-25.44,;-.12,-24.09,;-1.66,-24.06,;-2.44,-25.39,;-3.98,-25.37,;-1.69,-26.74,;-.15,-26.75,;1.96,-27.99,;.43,-27.7,;-.74,-28.71,;-2.11,-28.01,;-3.42,-28.84,;-3.34,-30.39,;-1.96,-31.09,;-.67,-30.26,;.58,-31.18,;2.07,-30.78,;2.82,-32.12,;4.3,-32.08,;5.06,-30.74,;2.69,-29.36,;4.4,-29.48,;12.09,-32.18,;11.31,-33.5,;13.63,-32.21,)|
BDBM50211366 CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCC[C@H](NC(=O)[C@H](Cc2cc3ccccc3[nH]2)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc2cc3ccccc3s2)N(CC)C(=O)[C@H](Cc2cnc[nH]2)NC1=O)C(N)=O
BDBM50211367 CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCC[C@H](NC(=O)[C@H](Cc2cc3ccccc3[nH]2)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)[C@H](Cc2cnc[nH]2)NC1=O)C(N)=O
BDBM50211372 CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCC[C@H](NC(=O)[C@H](Cc2cc3ccccc3[nH]2)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc2cnc[nH]2)NC(=O)[C@H](Cc2cnc[nH]2)NC1=O)C(N)=O
BDBM50211373 CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCC[C@H](NC(=O)[C@H](Cc2cc3ccccc3[nH]2)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](CC2CCCCC2)NC(=O)[C@H](Cc2cnc[nH]2)NC1=O)C(N)=O
BDBM50211376 CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCC[C@H](NC(=O)[C@H](Cc2cc3ccccc3[nH]2)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc2ccc(O)cc2)N(C)C(=O)[C@H](Cc2cnc[nH]2)NC1=O)C(N)=O
BDBM50211377 CCCC[C@H](NC(C)=O)C(=O)C[C@H]1CC(=O)NCCCC[C@H](NC(=O)[C@H](Cc2cc3ccccc3[nH]2)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc2ccc(cc2)-c2ccccc2)NC(=O)[C@H](Cc2cnc[nH]2)NC1=O)C(N)=O
BDBM50211378 CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCC[C@H](NC(=O)[C@H](Cc2cc3ccccc3[nH]2)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2cnc[nH]2)NC1=O)C(N)=O
BDBM50211380 CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCC[C@H](NC(=O)[C@H](Cc2cc3ccccc3[nH]2)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](Cc2cnc[nH]2)NC1=O)C(N)=O
BDBM50211381 CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCC[C@H](NC(=O)[C@H](Cc2cc3ccccc3[nH]2)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](CCCCN)NC(=O)[C@H](Cc2cnc[nH]2)NC1=O)C(N)=O
BDBM50211382 CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCC[C@H](NC(=O)[C@H](Cc2cc3ccccc3[nH]2)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc2cccs2)NC(=O)[C@H](Cc2cnc[nH]2)NC1=O)C(N)=O
BDBM50211384 CCCC[C@H](NC(C)=O)C(=O)NC1CC(=O)NCCCCC[C@H](NC(=O)[C@H](Cc2cc3ccccc3[nH]2)NC(=O)[C@@H]2CCCN2C(=O)[C@H]2CN(c3ccccc3C2)C(=O)[C@H](Cc2cnc[nH]2)NC1=O)C(N)=O
BDBM50211385 CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCC[C@H](NC(=O)[C@H](Cc2cc3ccccc3[nH]2)NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2ccc(O)cc2)N(C)C(=O)[C@H](Cc2cnc[nH]2)NC1=O)C(N)=O
BDBM50211386 CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCC[C@H](NC(=O)[C@H](Cc2cc3ccccc3[nH]2)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](CCC(O)=O)NC(=O)[C@H](Cc2cnc[nH]2)NC1=O)C(N)=O
BDBM50211387 CCCCC(NC(C)=O)C(=O)NC1CC(=O)NCCCCC(NC(=O)C(Cc2c[nH]c3ccccc23)NC(=O)C2CCCN2C(=O)C2SCCN2C(=O)C(Cc2cn(C)c[nH+]2)NC1=O)C(N)=O
BDBM50211388 CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCC[C@H](NC(=O)[C@H](Cc2cc3ccccc3[nH]2)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc2ccc(cc2)[N+]([O-])=O)NC(=O)[C@H](Cc2cnc[nH]2)NC1=O)C(N)=O
BDBM50211389 CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCC[C@H](NC(=O)[C@H](Cc2cc3ccccc3[nH]2)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc2ccc(O)cc2)N(CC)C(=O)[C@H](Cc2cnc[nH]2)NC1=O)C(N)=O
BDBM50211390 CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCC[C@H](NC(=O)[C@H](Cc2cc3ccccc3[nH]2)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)[C@H](Cc2cnc[nH]2)NC1=O)C(N)=O
BDBM50211391 CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCC[C@H](NC(=O)[C@H](Cc2cc3ccccc3[nH]2)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2cnc[nH]2)NC1=O)C(N)=O
BDBM50211394 CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCC[C@H](NC(=O)[C@H](Cc2cc3ccccc3[nH]2)NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2cnc[nH]2)NC1=O)C(N)=O
BDBM50211396 CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCC[C@H](NC(=O)[C@H](Cc2cc3ccccc3[nH]2)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](CCCC)NC(=O)[C@H](Cc2cnc[nH]2)NC1=O)C(N)=O
BDBM50211398 CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCC[C@H](NC(=O)[C@H](Cc2cc3ccccc3[nH]2)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](CCC(N)=O)NC(=O)[C@H](Cc2cnc[nH]2)NC1=O)C(N)=O
BDBM50214696 CC(C)C[C@H](N)c1cc(ccc1N1CCN(CC1)C(=O)[C@@H](Cc1ccc(Cl)cc1Cl)N1CCCC1=O)C(F)(F)F
BDBM50214681 CC(C)C[C@H](N)c1cc(ccc1N1CCN(CC1)C(=O)[C@@H](Cc1ccc(Cl)cc1Cl)N1CCNCC1=O)C(F)(F)F
BDBM50214685 CC(C)C[C@H](N)c1cc(ccc1N1CCN(CC1)C(=O)[C@@H](Cc1ccc(Cl)cc1)N1CCCC1=O)C(F)(F)F
BDBM50214688 CC(C)C[C@H](N)c1cccc(F)c1N1CCN(CC1)C(=O)[C@@H](Cc1ccc(Cl)cc1Cl)NC(=O)CCN
BDBM50217713 NC1CCC(CC2CCC(CC2)N(Cc2ccccc2Cl)C(=O)CCCc2c[nH]c3ccccc23)CC1 |(36.17,-32.76,;34.84,-33.54,;34.85,-35.08,;33.53,-35.86,;32.19,-35.09,;30.87,-35.88,;30.88,-37.42,;32.24,-38.18,;32.26,-39.73,;30.92,-40.52,;29.56,-39.77,;29.55,-38.21,;30.94,-42.08,;29.62,-42.87,;28.27,-42.12,;28.25,-40.58,;26.91,-39.83,;25.59,-40.62,;25.61,-42.17,;26.96,-42.91,;26.98,-44.45,;32.3,-42.84,;32.32,-44.39,;33.63,-42.04,;34.96,-42.77,;36.3,-42,;37.62,-42.77,;39.04,-42.1,;40.09,-43.22,;39.34,-44.57,;39.83,-46.01,;38.83,-47.17,;37.31,-46.87,;36.82,-45.42,;37.83,-44.26,;32.17,-33.56,;33.5,-32.78,)|
BDBM50217714 NC1CCC(CC2CCC(CC2)N(C2CCc3ccccc3C2)C(=O)CCCc2c[nH]c3ccccc23)CC1 |w:13.13,(14.28,-13.3,;12.96,-14.07,;12.97,-15.6,;11.65,-16.37,;10.32,-15.61,;9.01,-16.39,;9.02,-17.92,;10.37,-18.68,;10.39,-20.22,;9.06,-21.01,;7.7,-20.26,;7.7,-18.71,;9.08,-22.55,;7.65,-23.38,;7.67,-25.03,;6.23,-25.85,;4.8,-25.02,;3.37,-25.84,;1.95,-25.02,;1.95,-23.37,;3.38,-22.55,;4.8,-23.37,;6.23,-22.55,;10.43,-23.31,;10.45,-24.85,;11.75,-22.51,;13.08,-23.24,;14.4,-22.48,;15.72,-23.23,;17.12,-22.57,;18.18,-23.68,;17.42,-25.02,;17.91,-26.46,;16.92,-27.61,;15.41,-27.31,;14.92,-25.87,;15.93,-24.72,;10.31,-14.09,;11.62,-13.32,)|
BDBM50217715 NCCN(C1CCc2ccccc2C1)C(=O)Cc1ccc2ccccc2c1 |w:4.3|
BDBM50217738 NC1CCC(CC2CCC(CC2)N(Cc2c(Cl)cccc2Cl)C(=O)CCCc2c(Cc3ccc(O)cc3)[nH]c3ccccc23)CC1 |(16.09,-32.96,;14.76,-33.74,;14.77,-35.28,;13.45,-36.06,;12.1,-35.29,;10.78,-36.08,;10.8,-37.62,;12.15,-38.38,;12.17,-39.93,;10.83,-40.72,;9.47,-39.97,;9.46,-38.41,;10.86,-42.28,;9.5,-43.24,;9.52,-46,;10.86,-46.76,;12.19,-45.96,;10.9,-48.29,;9.58,-49.08,;8.23,-48.33,;8.2,-46.79,;6.86,-46.04,;12.21,-43.04,;12.24,-44.59,;13.54,-42.24,;14.88,-42.98,;16.22,-42.21,;17.54,-42.97,;18.95,-42.3,;19.71,-40.96,;21.25,-40.94,;22.03,-42.27,;23.57,-42.26,;24.33,-40.92,;25.87,-40.91,;23.54,-39.59,;22,-39.61,;20,-43.42,;19.25,-44.77,;19.75,-46.21,;18.74,-47.37,;17.23,-47.07,;16.74,-45.62,;17.75,-44.47,;12.09,-33.76,;13.42,-32.98,)|
BDBM50217739 NCCCN(Cc1ccc2ccccc2c1)C(=O)CCCc1c[nH]c2ccccc12
BDBM50217740 NCCCN(C\C=C\c1ccccc1)C(=O)C(=O)c1c[nH]c2ccccc12
BDBM50217658 NCCN(C1CCC2(CCCCC2)CC1)C(=O)[C@H](N)Cc1ccc(Cl)cc1
BDBM50217716 NCCN(Cc1ccc2ccccc2c1)C(=O)c1c[nH]c2ccccc12
BDBM50217741 NC1CCC(CC2CCC(CC2)N(Cc2ccccc2Br)C(=O)CCCc2c[nH]c3ccccc23)CC1 |(.31,-29.98,;-1.02,-30.76,;-1,-32.3,;-2.33,-33.08,;-3.67,-32.32,;-4.99,-33.1,;-4.98,-34.64,;-3.62,-35.4,;-3.6,-36.96,;-4.94,-37.75,;-6.3,-37,;-6.31,-35.43,;-4.92,-39.3,;-6.24,-40.09,;-7.58,-39.34,;-7.6,-37.8,;-8.95,-37.04,;-10.27,-37.84,;-10.24,-39.38,;-8.9,-40.13,;-8.88,-41.66,;-3.56,-40.06,;-3.54,-41.62,;-2.23,-39.26,;-.9,-40,;.44,-39.23,;1.79,-39.96,;3.19,-39.31,;4.23,-40.45,;3.48,-41.79,;3.97,-43.23,;2.97,-44.39,;1.45,-44.09,;.96,-42.64,;1.97,-41.49,;-3.68,-30.79,;-2.36,-30.01,)|
BDBM50217742 Cc1ccccc1CN(C1CCC(CC2CCC(N)CC2)CC1)C(=O)CCCc1c(Cc2ccc(O)cc2)[nH]c2ccccc12 |(-9.17,-24.42,;-9.19,-22.88,;-10.53,-22.13,;-10.56,-20.59,;-9.23,-19.8,;-7.89,-20.55,;-7.87,-22.1,;-6.52,-22.85,;-5.2,-22.05,;-5.23,-20.5,;-3.89,-19.71,;-3.91,-18.16,;-5.26,-17.39,;-5.28,-15.85,;-3.96,-15.07,;-2.62,-15.84,;-1.29,-15.06,;-1.3,-13.51,;.02,-12.73,;-2.65,-12.76,;-3.97,-13.54,;-6.6,-18.19,;-6.59,-19.75,;-3.85,-22.81,;-3.82,-24.37,;-2.52,-22.02,;-1.18,-22.75,;.15,-21.98,;1.5,-22.71,;2.9,-22.07,;3.61,-20.71,;5.16,-20.72,;5.91,-22.05,;7.46,-22.06,;8.23,-20.73,;9.77,-20.73,;7.46,-19.39,;5.92,-19.39,;3.95,-23.2,;3.19,-24.54,;3.68,-25.99,;2.68,-27.15,;1.16,-26.85,;.67,-25.4,;1.68,-24.24,)|
BDBM50217743 NCCCCCN(Cc1ccccc1)C(=O)[C@H](N)Cc1ccc2ccccc2c1
BDBM50217744 NC1CCC(CC2CCC(CC2)N(Cc2ccccc2F)C(=O)CCCc2c(Cc3ccc(O)cc3)[nH]c3ccccc23)CC1 |(17.94,-27.12,;16.6,-27.88,;16.58,-29.43,;15.25,-30.18,;13.92,-29.4,;12.58,-30.16,;12.58,-31.7,;13.92,-32.49,;13.92,-34.03,;12.57,-34.81,;11.22,-34.04,;11.23,-32.48,;12.57,-36.36,;11.24,-37.13,;9.9,-36.36,;9.91,-34.82,;8.58,-34.05,;7.24,-34.82,;7.25,-36.37,;8.58,-37.13,;8.58,-38.67,;13.91,-37.14,;13.91,-38.7,;15.25,-36.36,;16.59,-37.13,;17.92,-36.36,;19.26,-37.12,;19.84,-35.7,;19.02,-34.39,;19.75,-33.03,;21.29,-32.99,;22.01,-31.63,;21.19,-30.32,;21.91,-28.96,;19.65,-30.38,;18.93,-31.74,;21.37,-35.8,;21.75,-37.3,;23.09,-38.02,;23.14,-39.55,;21.84,-40.37,;20.48,-39.64,;20.44,-38.11,;13.92,-27.87,;15.27,-27.11,)|
BDBM50217745 NC(N)=NC1CCC(CC2CCC(CC2)N(C\C=C\c2ccccc2)C(=O)CCCc2c[nH]c3ccccc23)CC1 |(19.74,5.3,;21.07,4.52,;22.4,5.28,;21.06,2.98,;19.76,2.15,;19.83,.61,;18.54,-.22,;17.17,.49,;15.88,-.34,;15.95,-1.88,;17.32,-2.58,;17.4,-4.12,;16.11,-4.95,;14.73,-4.26,;14.66,-2.71,;16.19,-6.49,;14.86,-7.43,;13.39,-6.75,;12.06,-7.68,;10.64,-6.88,;10.64,-5.26,;9.23,-4.45,;7.83,-5.28,;7.84,-6.91,;9.26,-7.71,;17.52,-7.23,;17.55,-8.76,;18.84,-6.44,;20.19,-7.19,;21.51,-6.4,;22.85,-7.14,;22.75,-8.68,;24.17,-9.25,;25.16,-8.07,;26.68,-8.01,;27.4,-6.66,;26.58,-5.36,;25.05,-5.42,;24.34,-6.77,;17.09,2.02,;18.39,2.86,)|
BDBM50217746 NCCCN(C1CCc2ccccc2C1)C(=O)\C=C\c1c[nH]c2ccccc12 |w:5.4|
BDBM50217747 NCCN(Cc1ccc2ccccc2c1)C(=O)Cc1c[nH]c2ccccc12
BDBM50217696 COc1cc(Br)c(CN([C@@H]2CC[C@H](C[C@@H]3CC[C@H](N)CC3)CC2)C(=O)CCCc2c[nH]c3ccccc23)cc1OC |wU:14.13,17.17,wD:9.8,12.12,(-.08,-7.23,;-.01,-8.89,;1.47,-9.65,;1.54,-11.32,;3.01,-12.08,;3.08,-13.72,;4.39,-11.18,;5.9,-11.87,;7.26,-10.92,;7.23,-9.37,;5.87,-8.62,;5.86,-7.06,;7.2,-6.27,;7.18,-4.73,;8.5,-3.95,;9.83,-4.72,;11.16,-3.94,;11.14,-2.4,;12.46,-1.63,;9.8,-1.65,;8.49,-2.43,;8.55,-7.03,;8.56,-8.58,;8.6,-11.67,;8.63,-13.22,;9.93,-10.88,;11.27,-11.61,;12.59,-10.84,;13.91,-11.6,;15.32,-10.94,;16.38,-12.05,;15.62,-13.39,;16.11,-14.84,;15.11,-15.99,;13.61,-15.69,;13.12,-14.24,;14.12,-13.09,;4.33,-9.53,;2.86,-8.76,;2.79,-7.1,;1.33,-6.33,)|
BDBM50217697 NCCCCCN(C\C=C/c1ccccc1)C(=O)CCc1c(Cc2ccc(O)cc2)[nH]c2ccccc12
BDBM50217698 NCCCCCCCN(Cc1ccccc1)C(=O)CCCc1c[nH]c2ccccc12
BDBM50217699 NCCCCCN(CCCc1ccccc1)C(=O)CCCc1c[nH]c2ccccc12
BDBM50217700 C\C(CN(CCCCCN)C(=O)CCCc1c[nH]c2ccccc12)=C\c1ccccc1
BDBM50217701 N[C@@H]1CCCC[C@H]1N(C\C=C\c1ccccc1)C(=O)CCCc1c[nH]c2ccccc12
BDBM50217702 NC1CCCC(C1)NC(=O)N[C@H]1CC[C@@H](CC1)N(Cc1ccccc1)C(=O)CCCc1c[nH]c2ccccc12 |wU:11.11,wD:14.18,(4.98,-7.56,;4.96,-9.1,;6.29,-9.88,;6.27,-11.42,;4.93,-12.17,;3.61,-11.39,;3.62,-9.85,;2.27,-12.15,;.94,-11.37,;.95,-9.83,;-.4,-12.13,;-.41,-13.67,;.92,-14.46,;.91,-15.99,;-.42,-16.76,;-1.76,-15.98,;-1.75,-14.44,;-.43,-18.3,;-1.76,-19.06,;-3.08,-18.28,;-3.06,-16.75,;-4.38,-15.98,;-5.72,-16.74,;-5.72,-18.28,;-4.4,-19.04,;.9,-19.07,;.9,-20.61,;2.24,-18.3,;3.57,-19.08,;4.91,-18.31,;6.24,-19.09,;7.5,-18.18,;8.75,-19.1,;8.25,-20.57,;9.02,-21.9,;8.23,-23.23,;6.69,-23.22,;5.94,-21.88,;6.71,-20.56,)|
BDBM50217703 NCCCN1CCN(CCCN(C\C(Cl)=C\c2ccccc2)C(=O)CCCc2c[nH]c3ccccc23)CC1
BDBM50217704 NCc1ccc(CN(C\C=C\c2ccccc2)C(=O)CCCc2c[nH]c3ccccc23)cc1
BDBM50217717 COC(=O)c1ccc(CN(C2CCC(CC3CCC(N)CC3)CC2)C(=O)CCCc2c[nH]c3ccccc23)cc1 |(25.03,-34.28,;26.37,-35.05,;27.7,-34.28,;27.7,-32.74,;29.04,-35.05,;30.37,-34.28,;31.7,-35.05,;31.7,-36.59,;33.03,-37.36,;34.36,-36.59,;34.36,-35.03,;35.71,-34.26,;35.72,-32.71,;34.37,-31.93,;34.38,-30.39,;35.71,-29.62,;37.04,-30.41,;38.38,-29.65,;38.39,-28.11,;39.73,-27.35,;37.06,-27.33,;35.72,-28.09,;33.02,-32.7,;33.01,-34.26,;35.71,-37.37,;35.71,-38.92,;37.05,-36.59,;38.38,-37.36,;39.72,-36.58,;41.05,-37.35,;41.63,-35.93,;43.17,-36.03,;43.54,-37.53,;44.89,-38.25,;44.94,-39.78,;43.63,-40.6,;42.28,-39.87,;42.23,-38.33,;30.37,-37.36,;29.04,-36.59,)|
BDBM50217718 NCCCN(C\C=C\c1ccccc1)C(=O)c1c[nH]c2ccccc12
BDBM50217776 COc1cc(Br)c(\C=C\CN(C2CCC(CC3CCC(N)CC3)CC2)C(=O)CCCc2c[nH]c3ccccc23)cc1OC |(-9.73,-19.07,;-9.7,-20.61,;-8.36,-21.36,;-8.33,-22.91,;-6.99,-23.65,;-6.96,-25.19,;-5.68,-22.86,;-4.33,-23.61,;-3.01,-22.83,;-1.66,-23.58,;-.34,-22.79,;-.37,-21.23,;.97,-20.44,;.95,-18.89,;-.4,-18.13,;-.42,-16.59,;.9,-15.8,;2.24,-16.57,;3.57,-15.79,;3.56,-14.25,;4.88,-13.47,;2.22,-13.49,;.89,-14.27,;-1.74,-18.92,;-1.73,-20.48,;1.01,-23.55,;1.04,-25.1,;2.34,-22.75,;3.68,-23.48,;5.01,-22.71,;6.34,-23.47,;7.75,-22.8,;8.8,-23.93,;8.05,-25.27,;8.54,-26.72,;7.54,-27.88,;6.03,-27.58,;5.54,-26.13,;6.55,-24.97,;-5.69,-21.32,;-7.04,-20.57,;-7.06,-19.03,;-5.73,-18.24,)|
BDBM50217777 NCCN(C1CCc2ccccc2C1)C(=O)Cc1c[nH]c2ccccc12 |w:4.3|
BDBM50217778 NCC1CCC(CN(Cc2ccccc2)C(=O)CCCc2c[nH]c3ccccc23)CC1 |(13.72,-1.64,;13.74,-3.18,;12.41,-3.97,;12.42,-5.51,;11.1,-6.29,;9.76,-5.53,;8.44,-6.32,;8.46,-7.86,;7.1,-8.75,;5.65,-8.01,;5.57,-6.39,;4.12,-5.65,;2.76,-6.54,;2.85,-8.17,;4.3,-8.9,;9.76,-8.66,;9.73,-10.18,;11.11,-7.92,;12.43,-8.72,;13.78,-7.98,;14.76,-8.24,;15.42,-9.64,;16.94,-9.44,;17.23,-7.93,;18.53,-7.14,;18.5,-5.61,;17.15,-4.87,;15.85,-5.66,;15.88,-7.19,;9.73,-4,;11.07,-3.21,)|
BDBM50217719 NCCCCCN(CCCc1ccccc1)C(=O)Cc1c[nH]c2ccccc12
BDBM50217720 NCCCN(C1CCc2ccccc2C1)C(=O)Cc1c[nH]c2ccccc12 |w:5.4|
BDBM50217721 NCCCCCCN(Cc1ccccc1)C(=O)CCCc1c[nH]c2ccccc12
BDBM50217722 COc1ccccc1\C=C\CN(C1CCC(CC2CCC(N)CC2)CC1)C(=O)CCCc1c[nH]c2ccccc12 |(6.92,-42.53,;8.24,-41.74,;8.21,-40.2,;6.86,-39.46,;6.83,-37.91,;8.16,-37.12,;9.5,-37.87,;9.52,-39.41,;10.87,-40.16,;12.19,-39.36,;13.53,-40.11,;14.85,-39.32,;14.83,-37.77,;16.17,-36.98,;16.15,-35.42,;14.8,-34.66,;14.78,-33.12,;16.1,-32.34,;17.44,-33.1,;18.77,-32.32,;18.75,-30.78,;20.08,-30,;17.41,-30.03,;16.09,-30.81,;13.46,-35.45,;13.47,-37.02,;16.21,-40.08,;16.23,-41.64,;17.54,-39.28,;18.88,-40.02,;20.21,-39.25,;21.56,-39.98,;22.96,-39.33,;24.01,-40.47,;23.25,-41.81,;23.74,-43.26,;22.74,-44.41,;21.22,-44.11,;20.73,-42.66,;21.74,-41.51,)|
BDBM50217723 NC(N)=NCCCCN(Cc1ccc2ccccc2c1)C(=O)Cc1c[nH]c2ccccc12 |(6.81,-1.12,;6.81,-2.66,;8.14,-3.42,;5.48,-3.43,;5.48,-4.97,;4.14,-5.73,;4.13,-7.27,;5.46,-8.05,;5.45,-9.59,;4.25,-10.29,;3.03,-9.59,;1.63,-10.4,;.23,-9.59,;.23,-7.96,;-1.17,-7.14,;-1.16,-5.52,;.25,-4.71,;1.65,-5.53,;1.64,-7.15,;3.02,-8.08,;6.67,-10.29,;6.66,-11.69,;7.88,-9.59,;9.09,-10.3,;10.23,-9.51,;11.35,-10.35,;10.89,-11.67,;11.55,-12.89,;10.82,-14.09,;9.43,-14.05,;8.76,-12.82,;9.49,-11.64,)|
BDBM50217724 CCOc1cc(CN(C2CCC(CC3CCC(N)CC3)CC2)C(=O)CCCc2c[nH]c3ccccc23)ccc1OC |(8.74,-14.13,;8.74,-15.67,;10.07,-16.44,;10.07,-17.98,;11.4,-18.75,;11.4,-20.29,;12.73,-21.06,;14.06,-20.29,;14.06,-18.74,;15.41,-17.97,;15.42,-16.42,;14.07,-15.63,;14.08,-14.09,;15.41,-13.33,;16.74,-14.11,;18.08,-13.36,;18.09,-11.82,;19.43,-11.06,;16.76,-11.04,;15.42,-11.8,;12.72,-16.41,;12.71,-17.97,;15.41,-21.07,;15.41,-22.63,;16.75,-20.29,;18.08,-21.06,;19.42,-20.29,;20.75,-21.06,;21.33,-19.63,;22.87,-19.73,;23.24,-21.23,;24.59,-21.96,;24.64,-23.49,;23.33,-24.3,;21.98,-23.57,;21.93,-22.04,;10.07,-21.06,;8.74,-20.3,;8.74,-18.75,;7.4,-17.98,;7.4,-16.44,)|
BDBM50217725 NCCN(C\C=C\c1ccccc1)C(=O)CCc1c[nH]c2ccccc12
BDBM50217726 NC1CCC(CC2CCC(CC2)N(C\C=C\c2ccccc2)C(=O)CCCc2c[nH]c3ccccc23)CC1 |(20.39,-31.41,;19.06,-32.18,;19.08,-33.72,;17.76,-34.5,;16.42,-33.73,;15.1,-34.51,;15.12,-36.05,;16.47,-36.81,;16.49,-38.36,;15.15,-39.14,;13.8,-38.4,;13.79,-36.84,;15.18,-40.69,;13.83,-41.65,;12.32,-40.96,;10.96,-41.92,;9.49,-41.15,;9.43,-39.49,;7.96,-38.73,;6.56,-39.62,;6.64,-41.28,;8.11,-42.04,;16.53,-41.45,;16.55,-43,;17.85,-40.66,;19.19,-41.39,;20.52,-40.62,;21.83,-41.38,;23.24,-40.71,;24.3,-41.83,;23.55,-43.17,;24.03,-44.61,;23.04,-45.77,;21.53,-45.47,;21.04,-44.02,;22.05,-42.87,;16.41,-32.21,;17.73,-31.43,)|
BDBM50217727 NC1CCC(CC2CCC(CC2)N(Cc2c(Cl)cccc2Cl)C(=O)CCCc2c[nH]c3ccccc23)CC1 |(.88,-32.97,;-.45,-33.74,;-.44,-35.29,;-1.76,-36.07,;-3.1,-35.3,;-4.43,-36.08,;-4.41,-37.62,;-3.06,-38.39,;-3.03,-39.94,;-4.38,-40.73,;-5.74,-39.98,;-5.75,-38.42,;-4.35,-42.28,;-5.71,-43.25,;-5.68,-46.01,;-4.34,-46.76,;-3.02,-45.97,;-4.31,-48.29,;-5.62,-49.09,;-6.98,-48.34,;-7,-46.8,;-8.35,-46.05,;-3,-43.04,;-2.97,-44.6,;-1.67,-42.25,;-.33,-42.98,;1.01,-42.21,;2.33,-42.97,;3.74,-42.3,;4.8,-43.43,;4.05,-44.77,;4.54,-46.22,;3.54,-47.38,;2.02,-47.08,;1.53,-45.63,;2.54,-44.47,;-3.12,-33.77,;-1.79,-32.99,)|
BDBM50217728 NCc1cccc(CN(Cc2ccc3ccccc3c2)C(=O)CCCc2c[nH]c3ccccc23)c1
BDBM50217729 N[C@H]1CC[C@H](C[C@H]2CC[C@@H](CC2)N(C\C(Cl)=C\c2ccccc2)C(=O)CCCc2c[nH]c3ccccc23)CC1 |wU:6.5,4.4,wD:9.12,1.0,(13.39,-.93,;12.07,-1.7,;10.74,-.95,;9.41,-1.73,;9.43,-3.25,;8.11,-4.03,;8.13,-5.56,;9.48,-6.32,;9.5,-7.87,;8.16,-8.65,;6.81,-7.91,;6.8,-6.35,;8.19,-10.2,;6.84,-11.16,;5.33,-10.47,;5.32,-8.8,;3.98,-11.43,;2.51,-10.66,;2.45,-9.01,;.98,-8.24,;-.43,-9.13,;-.34,-10.79,;1.12,-11.55,;9.54,-10.96,;9.56,-12.51,;10.86,-10.17,;12.19,-10.9,;13.52,-10.13,;14.84,-10.89,;16.25,-10.22,;17.31,-11.34,;16.55,-12.68,;17.04,-14.12,;16.04,-15.27,;14.53,-14.97,;14.04,-13.53,;15.05,-12.38,;10.76,-4.01,;12.08,-3.24,)|
BDBM50217730 N[C@H]1CC[C@@H](CC1)N(C\C(Cl)=C\c1ccccc1)C(=O)CCCc1c[nH]c2ccccc12 |wU:4.7,wD:1.0,(10.93,-6.88,;10.94,-8.42,;9.62,-9.21,;9.63,-10.75,;10.98,-11.5,;12.3,-10.71,;12.28,-9.18,;11.01,-13.04,;9.64,-13.93,;8.19,-13.19,;8.18,-11.55,;6.83,-14.08,;5.38,-13.34,;5.41,-11.72,;4.02,-10.89,;2.6,-11.68,;2.58,-13.31,;3.97,-14.14,;12.3,-13.84,;12.27,-15.36,;13.66,-13.1,;14.97,-13.9,;16.32,-13.16,;17.64,-13.96,;18.87,-14.89,;20.13,-14.01,;19.67,-12.54,;20.46,-11.23,;19.72,-9.89,;18.18,-9.86,;17.4,-11.18,;18.14,-12.51,)|
BDBM50217731 COc1cc(Cl)c(CN(C2CCC(CC3CCC(N)CC3)CC2)C(=O)CCCc2c(Cc3ccc(O)cc3)[nH]c3ccccc23)cc1OC |(7.75,-.95,;7.77,-2.49,;9.12,-3.24,;9.14,-4.78,;10.49,-5.53,;10.51,-7.07,;11.8,-4.74,;13.15,-5.49,;14.47,-4.69,;14.45,-3.14,;15.79,-2.35,;15.77,-.8,;14.41,-.03,;14.4,1.51,;15.72,2.29,;17.06,1.52,;18.39,2.3,;18.37,3.85,;19.7,4.62,;17.03,4.6,;15.7,3.82,;13.08,-.83,;13.09,-2.39,;15.83,-5.45,;15.85,-7.01,;17.16,-4.66,;18.49,-5.39,;19.83,-4.62,;21.15,-5.38,;22.57,-4.71,;23.33,-3.37,;24.87,-3.36,;25.64,-4.69,;27.18,-4.68,;27.94,-3.34,;29.48,-3.32,;27.15,-2,;25.62,-2.02,;23.62,-5.84,;22.87,-7.18,;23.36,-8.63,;22.36,-9.79,;20.84,-9.49,;20.35,-8.04,;21.36,-6.88,;11.78,-3.2,;10.44,-2.45,;10.42,-.91,;11.74,-.12,)|
BDBM50217779 Cc1ccc(CN(C2CCC(CC3CCC(N)CC3)CC2)C(=O)CCCc2c(Cc3ccc(O)cc3)[nH]c3ccccc23)cc1 |(27.65,-19.83,;28.99,-20.58,;30.32,-19.79,;31.66,-20.54,;31.68,-22.09,;33.03,-22.84,;34.35,-22.05,;34.32,-20.49,;35.66,-19.7,;35.64,-18.15,;34.29,-17.39,;34.27,-15.85,;35.59,-15.06,;36.93,-15.83,;38.26,-15.05,;38.25,-13.51,;39.57,-12.72,;36.9,-12.75,;35.58,-13.53,;32.95,-18.18,;32.96,-19.74,;35.7,-22.81,;35.73,-24.36,;37.03,-22.01,;38.37,-22.74,;39.7,-21.97,;41.05,-22.7,;42.45,-22.06,;43.16,-20.71,;44.71,-20.71,;45.46,-22.05,;47.01,-22.05,;47.78,-20.72,;49.32,-20.72,;47.01,-19.38,;45.47,-19.38,;43.5,-23.19,;42.74,-24.54,;43.23,-25.98,;42.23,-27.14,;40.71,-26.84,;40.23,-25.39,;41.23,-24.23,;30.36,-22.87,;29.02,-22.13,)|
BDBM50217780 NCCCN(C\C=C\c1ccccc1)C(=O)Cc1ccc2ccccc2c1
BDBM50217781 COc1ccc2n(C(=O)c3ccc(Cl)cc3)c(C)c(CC(=O)N(CCCCN)C34CC5CC(CC(C5)C3)C4)c2c1 |TLB:31:32:36:30.35.29,THB:33:32:35.34.36:29|
BDBM50217782 NC1CCCC(C1)NC(=O)NC1CCCC(C1)N(C\C(Cl)=C\c1ccccc1)C(=O)CCCc1c[nH]c2ccccc12
BDBM50217783 C\C(CN(CCCN)C(=O)c1c[nH]c2ccccc12)=C/c1ccccc1
BDBM50217668 CC(C)N(CCCCN)C(=O)c1c[nH]c2ccccc12
BDBM50217748 NC1CCC(CC2CCC(CC2)N(Cc2c(F)cccc2Cl)C(=O)CCCc2c(Cc3ccc(O)cc3)[nH]c3ccccc23)CC1 |(-.47,-12.98,;-1.8,-13.76,;-1.79,-15.3,;-3.11,-16.08,;-4.46,-15.31,;-5.78,-16.1,;-5.76,-17.64,;-4.41,-18.4,;-4.39,-19.95,;-5.73,-20.74,;-7.09,-19.99,;-7.1,-18.43,;-5.7,-22.3,;-7.44,-23.11,;-7.47,-25.29,;-8.81,-26.05,;-10.14,-25.28,;-8.81,-27.59,;-7.47,-28.37,;-6.14,-27.59,;-6.14,-26.05,;-5.25,-24.71,;-4.35,-23.06,;-4.32,-24.62,;-3.02,-22.26,;-1.68,-23,;-.34,-22.23,;.98,-22.99,;2.39,-22.32,;3.15,-20.98,;4.69,-20.96,;5.47,-22.29,;7.01,-22.28,;7.77,-20.94,;9.31,-20.93,;6.98,-19.61,;5.44,-19.63,;3.44,-23.44,;2.7,-24.79,;3.19,-26.23,;2.18,-27.39,;.67,-27.09,;.18,-25.64,;1.19,-24.49,;-4.47,-13.78,;-3.14,-13,)|
BDBM50217784 NCCCCCN(C\C=C\c1ccccc1)C(=O)CCc1c[nH]c2ccccc12
BDBM50217670 COc1ccc(CN(C2CCC(CC3CCC(N)CC3)CC2)C(=O)CCCc2c(Cc3ccc(O)cc3)[nH]c3ccccc23)cc1OC |(-10.93,-16.01,;-10.93,-17.55,;-9.6,-18.32,;-9.59,-19.87,;-8.26,-20.64,;-6.94,-19.87,;-5.6,-20.64,;-4.27,-19.87,;-4.27,-18.31,;-2.92,-17.54,;-2.92,-15.99,;-4.26,-15.2,;-4.25,-13.66,;-2.92,-12.9,;-1.59,-13.69,;-.25,-12.93,;-.24,-11.39,;1.1,-10.63,;-1.57,-10.61,;-2.92,-11.37,;-5.61,-15.98,;-5.62,-17.54,;-2.93,-20.64,;-2.93,-22.2,;-1.58,-19.87,;-.25,-20.63,;1.08,-19.86,;2.42,-20.63,;3,-19.2,;2.18,-17.9,;2.91,-16.54,;4.45,-16.49,;5.17,-15.13,;4.35,-13.82,;5.08,-12.46,;2.81,-13.88,;2.09,-15.24,;4.53,-19.31,;4.91,-20.81,;6.25,-21.53,;6.31,-23.06,;5,-23.87,;3.64,-23.14,;3.6,-21.61,;-6.93,-18.32,;-8.26,-17.55,;-8.26,-16.01,;-9.59,-15.24,)|
BDBM50217671 CC1CC(CC2CCC(C(C)C2)N(C\C(Cl)=C\c2ccccc2)C(=O)CCCc2c[nH]c3ccccc23)CCC1N |w:8.12,5.4,3.3,9.9,39.44,1.0|
BDBM50217672 NC(N)=NCCN(Cc1ccc2ccccc2c1)C(=O)Cc1c[nH]c2ccccc12 |(3.44,-1.47,;4.98,-1.47,;5.75,-.15,;5.75,-2.81,;5.83,-4.35,;7.2,-5.05,;7.28,-6.58,;5.95,-7.52,;4.55,-6.7,;3.15,-7.51,;1.74,-6.7,;1.75,-5.07,;.35,-4.25,;.35,-2.63,;1.77,-1.82,;3.17,-2.64,;3.16,-4.27,;4.56,-5.08,;8.61,-7.33,;8.64,-8.85,;9.86,-6.58,;11.14,-7.29,;12.33,-6.46,;13.5,-7.35,;13.02,-8.72,;13.71,-10,;12.95,-11.25,;11.49,-11.21,;10.79,-9.92,;11.56,-8.69,)|
BDBM50217749 NC(N)=NC1CCC(CC2CCC(CC2)N(C\C(Cl)=C\c2ccccc2)C(=O)CCCc2c[nH]c3ccccc23)CC1 |(37.75,-39.73,;39.09,-40.5,;40.42,-39.74,;39.08,-42.05,;37.77,-42.88,;37.84,-44.42,;36.55,-45.24,;35.19,-44.53,;33.89,-45.37,;33.97,-46.9,;35.34,-47.61,;35.41,-49.14,;34.12,-49.98,;32.75,-49.28,;32.68,-47.74,;34.21,-51.51,;32.88,-52.45,;31.47,-51.64,;31.48,-50.01,;30.06,-52.44,;28.66,-51.62,;28.67,-50,;27.27,-49.18,;25.86,-49.99,;25.85,-51.62,;27.26,-52.43,;35.53,-52.26,;35.56,-53.78,;36.85,-51.47,;38.21,-52.22,;39.52,-51.42,;40.86,-52.17,;40.76,-53.71,;42.19,-54.29,;43.17,-53.1,;44.7,-53.04,;45.42,-51.69,;44.59,-50.39,;43.07,-50.45,;42.36,-51.8,;35.11,-43,;36.41,-42.17,)|
BDBM50217750 NCCCCCN(C1C2CC3CC(C2)CC1C3)C(=O)CCCc1c[nH]c2ccccc12 |TLB:6:7:13:9.10.11,16:15:13:9.10.11,THB:6:7:9.16.10:14.12.13,16:10:7.15.14:13,11:10:7:14.12.13,11:12:7:9.16.10,(31.53,-9.45,;32.86,-10.22,;32.85,-11.76,;34.2,-12.54,;34.2,-14.1,;32.85,-14.85,;32.85,-16.41,;31.52,-17.19,;29.92,-16.49,;29.93,-15.08,;29.13,-13.88,;27.69,-14.38,;27.61,-15.89,;28.52,-17,;29.13,-16.45,;30.62,-15.91,;30.68,-14.4,;34.2,-17.19,;34.2,-18.74,;35.53,-16.41,;36.87,-17.18,;38.2,-16.4,;39.54,-17.17,;40.15,-18.58,;41.68,-18.45,;42.02,-16.95,;43.36,-16.21,;43.38,-14.67,;42.06,-13.89,;40.73,-14.63,;40.7,-16.16,)|
BDBM50217751 NC(N)=NCCN(Cc1ccc2ccccc2c1)C(=O)CCc1c[nH]c2ccccc12 |(-7.05,-14.19,;-5.51,-14.2,;-4.74,-12.87,;-4.74,-15.54,;-4.66,-17.07,;-3.29,-17.77,;-3.21,-19.31,;-4.54,-20.25,;-5.94,-19.43,;-7.34,-20.24,;-8.75,-19.43,;-8.74,-17.79,;-10.14,-16.98,;-10.14,-15.36,;-8.72,-14.55,;-7.32,-15.37,;-7.33,-16.99,;-5.93,-17.81,;-1.88,-20.05,;-1.85,-21.58,;-.56,-19.26,;.79,-20.01,;2.11,-19.22,;2.71,-17.8,;4.24,-17.89,;4.54,-19.4,;5.85,-20.13,;5.88,-21.64,;4.58,-22.41,;3.27,-21.68,;3.25,-20.17,)|
BDBM50217752 CC(C)N(CCCCN)C(=O)c1c(Cc2ccc(O)cc2)[nH]c2ccccc12
BDBM50217785 NCCCCCCN(Cc1ccccc1)C(=O)CCCc1c(Cc2ccc(O)cc2)[nH]c2ccccc12
BDBM50217786 NC1CCC(CC2CCC(CC2)N(Cc2ccccc2F)C(=O)CCCc2c[nH]c3ccccc23)CC1 |(1.33,-26.36,;-.01,-27.12,;-.02,-28.66,;-1.35,-29.42,;-2.68,-28.63,;-4.02,-29.4,;-4.03,-30.94,;-2.68,-31.72,;-2.69,-33.27,;-4.04,-34.05,;-5.38,-33.27,;-5.38,-31.71,;-4.04,-35.6,;-5.37,-36.37,;-6.7,-35.6,;-6.7,-34.06,;-8.03,-33.29,;-9.36,-34.06,;-9.36,-35.61,;-8.03,-36.37,;-8.02,-37.91,;-2.69,-36.38,;-2.69,-37.93,;-1.35,-35.6,;-.02,-36.37,;1.32,-35.59,;2.65,-36.36,;3.23,-34.94,;4.77,-35.04,;5.14,-36.54,;6.49,-37.26,;6.54,-38.79,;5.23,-39.61,;3.88,-38.88,;3.83,-37.35,;-2.68,-27.1,;-1.34,-26.34,)|
BDBM50217787 NCCCCCCCCN(C\C=C\c1ccccc1)C(=O)CCc1c[nH]c2ccccc12
BDBM50217673 NCCN(C\C(Cl)=C\c1ccccc1)C(=O)CCCc1c[nH]c2ccccc12
BDBM50217753 CCOc1cc(CN(C2CCC(CC3CCC(N)CC3)CC2)C(=O)CCCc2c(Cc3ccc(O)cc3)[nH]c3ccccc23)ccc1OC |(26.76,-14.17,;26.76,-15.71,;28.09,-16.48,;28.09,-18.02,;29.42,-18.79,;29.42,-20.33,;30.75,-21.1,;32.08,-20.33,;32.08,-18.78,;33.43,-18,;33.44,-16.46,;32.09,-15.67,;32.1,-14.13,;33.44,-13.37,;34.77,-14.15,;36.1,-13.4,;36.11,-11.85,;37.45,-11.09,;34.78,-11.08,;33.44,-11.84,;30.74,-16.45,;30.74,-18.01,;33.43,-21.11,;33.43,-22.67,;34.77,-20.33,;36.1,-21.1,;37.44,-20.33,;38.77,-21.09,;39.35,-19.67,;38.54,-18.36,;39.26,-17,;40.8,-16.96,;41.52,-15.6,;40.71,-14.29,;41.43,-12.93,;39.16,-14.35,;38.44,-15.71,;40.89,-19.77,;41.26,-21.27,;42.61,-21.99,;42.66,-23.52,;41.35,-24.34,;40,-23.61,;39.95,-22.08,;28.09,-21.1,;26.76,-20.34,;26.76,-18.79,;25.42,-18.02,;25.43,-16.48,)|
BDBM50217754 NC(N)=NCCCCN(Cc1ccc2ccccc2c1)C(=O)CCc1c[nH]c2ccccc12 |(-8.45,-40,;-6.91,-40,;-6.13,-38.68,;-6.14,-41.34,;-6.06,-42.88,;-7.35,-43.72,;-7.27,-45.26,;-5.9,-45.95,;-5.81,-47.49,;-7.14,-48.43,;-8.55,-47.61,;-9.95,-48.42,;-11.36,-47.61,;-11.36,-45.98,;-12.75,-45.16,;-12.75,-43.54,;-11.34,-42.73,;-9.93,-43.55,;-9.94,-45.17,;-8.56,-46.09,;-4.48,-48.24,;-4.46,-49.76,;-3.16,-47.45,;-1.82,-48.19,;-.5,-47.4,;.07,-48.84,;1.61,-48.74,;1.99,-47.24,;3.34,-46.54,;3.4,-45,;2.1,-44.18,;.75,-44.9,;.69,-46.42,)|
BDBM50217755 NCCCCCN(Cc1ccccc1)C(=O)[C@H](N)Cc1ccc(cc1)[N+]([O-])=O
BDBM50217788 NCC1CCC(CN(C\C(Cl)=C\c2ccccc2)C(=O)CCCc2c[nH]c3ccccc23)CC1 |(12.03,-2.53,;12.05,-4.06,;10.73,-4.84,;10.75,-6.37,;9.43,-7.16,;8.08,-6.41,;6.75,-7.19,;6.77,-8.73,;5.41,-9.62,;3.96,-8.88,;3.95,-7.24,;2.6,-9.77,;1.15,-9.03,;1.07,-7.41,;-.38,-6.67,;-1.74,-7.56,;-1.65,-9.19,;-.2,-9.92,;8.07,-9.53,;8.04,-11.05,;9.42,-8.79,;10.74,-9.59,;12.09,-8.85,;13.07,-9.11,;13.73,-10.51,;15.25,-10.32,;15.54,-8.8,;16.85,-8.01,;16.82,-6.48,;15.47,-5.74,;14.16,-6.54,;14.2,-8.06,;8.06,-4.87,;9.39,-4.08,)|
BDBM50217789 C\C(CN(CCCN)C(=O)C(=O)c1c[nH]c2ccccc12)=C/c1ccccc1
BDBM50217674 NC1CCC(CC2CCC(CC2)N(C\C(Cl)=C\c2ccccc2)C(=O)CCCc2c[nH]c3ccccc23)CC1 |(20.39,5.04,;19.05,4.28,;19.03,2.74,;17.7,1.99,;16.37,2.77,;15.03,2.01,;15.03,.47,;16.37,-.32,;16.37,-1.87,;15.02,-2.64,;13.67,-1.87,;13.68,-.31,;15.02,-4.19,;13.69,-4.96,;12.35,-4.19,;12.35,-2.65,;11.02,-4.96,;9.69,-4.19,;9.69,-2.66,;8.36,-1.89,;7.03,-2.66,;7.03,-4.2,;8.36,-4.97,;16.36,-4.97,;16.36,-6.53,;17.7,-4.19,;19.04,-4.96,;20.37,-4.19,;21.71,-4.96,;22.29,-3.53,;23.82,-3.63,;24.2,-5.13,;25.54,-5.86,;25.59,-7.39,;24.29,-8.2,;22.93,-7.47,;22.89,-5.94,;16.37,4.3,;17.72,5.06,)|
BDBM50217675 NC(N)=NCCCN(Cc1ccc2ccccc2c1)C(=O)Cc1c[nH]c2ccccc12 |(4.63,-1.88,;5.96,-2.65,;7.3,-1.9,;5.96,-4.2,;4.59,-4.92,;4.55,-6.46,;5.92,-7.16,;6,-8.7,;4.68,-9.64,;3.27,-8.82,;1.87,-9.63,;.47,-8.82,;.47,-7.18,;-.94,-6.37,;-.93,-4.74,;.49,-3.94,;1.89,-4.75,;1.88,-6.38,;3.25,-7.31,;7.34,-9.44,;7.37,-10.97,;8.66,-8.65,;10,-9.4,;11.13,-8.61,;12.26,-9.46,;11.8,-10.78,;12.46,-12,;11.73,-13.2,;10.33,-13.16,;9.66,-11.93,;10.4,-10.74,)|
BDBM50217676 COc1ccc(CN(C2CCC(CC3CCC(N)CC3)CC2)C(=O)CCCc2c[nH]c3ccccc23)cc1OC |(26.01,.19,;26.01,-1.35,;27.35,-2.12,;27.35,-3.67,;28.68,-4.43,;30.01,-3.66,;31.34,-4.44,;32.68,-3.67,;32.68,-2.11,;34.02,-1.34,;34.03,.21,;32.68,1,;32.69,2.54,;34.03,3.3,;35.36,2.51,;36.69,3.27,;36.7,4.81,;38.04,5.57,;35.37,5.59,;34.03,4.83,;31.33,.22,;31.33,-1.34,;34.02,-4.44,;34.02,-6,;35.36,-3.67,;36.7,-4.43,;38.03,-3.66,;39.36,-4.43,;39.94,-3,;41.48,-3.11,;41.85,-4.61,;43.2,-5.33,;43.25,-6.86,;41.94,-7.67,;40.59,-6.94,;40.54,-5.41,;30.02,-2.12,;28.68,-1.35,;28.69,.19,;27.35,.96,)|
BDBM50217677 NCCCCCCN(C\C(Cl)=C\c1ccccc1)C(=O)CCCc1c[nH]c2ccccc12
BDBM50217756 CSc1ccc(CN(C2CCC(CC3CCC(N)CC3)CC2)C(=O)CCCc2c[nH]c3ccccc23)cc1 |(8.78,-49.29,;8.78,-50.83,;10.11,-51.6,;11.45,-50.83,;12.78,-51.6,;12.77,-53.14,;14.1,-53.91,;15.44,-53.14,;15.44,-51.59,;16.79,-50.82,;16.79,-49.27,;15.45,-48.48,;15.45,-46.94,;16.79,-46.18,;18.12,-46.96,;19.45,-46.21,;19.47,-44.67,;20.81,-43.91,;18.14,-43.89,;16.79,-44.65,;14.1,-49.26,;14.09,-50.82,;16.78,-53.92,;16.78,-55.48,;18.12,-53.14,;19.46,-53.91,;20.79,-53.14,;22.13,-53.9,;22.71,-52.48,;24.24,-52.58,;24.61,-54.08,;25.96,-54.8,;26.01,-56.33,;24.7,-57.15,;23.35,-56.42,;23.31,-54.89,;11.45,-53.91,;10.12,-53.15,)|
BDBM50217757 NC(N)=NC1CCC(CC2CCC(CC2)N(Cc2ccccc2)C(=O)CCCc2c[nH]c3ccccc23)CC1 |(-.94,5.23,;.39,4.45,;1.73,5.21,;.38,2.91,;-.91,2.08,;-.85,.54,;-2.14,-.29,;-3.5,.42,;-4.8,-.41,;-4.72,-1.95,;-3.35,-2.65,;-3.27,-4.19,;-4.57,-5.02,;-5.94,-4.33,;-6.01,-2.78,;-4.48,-6.56,;-5.81,-7.5,;-7.22,-6.68,;-7.2,-5.05,;-8.61,-4.23,;-10.02,-5.04,;-10.02,-6.67,;-8.62,-7.49,;-3.15,-7.3,;-3.13,-8.83,;-1.83,-6.51,;-.49,-7.26,;.83,-6.47,;2.18,-7.21,;2.07,-8.75,;3.5,-9.32,;4.48,-8.14,;6.01,-8.08,;6.73,-6.73,;5.91,-5.43,;4.38,-5.49,;3.67,-6.84,;-3.59,1.95,;-2.28,2.79,)|
BDBM50217758 NCCCCCN(Cc1ccccc1)C(=O)[C@H](N)Cc1c[nH]c2ccccc12
BDBM50217759 NCCCCCN(Cc1ccc2OCOc2c1)C(=O)CCCc1c[nH]c2ccccc12
BDBM50217790 NCCN(CCCc1ccccc1)C(=O)CCc1c[nH]c2ccccc12
BDBM50217630 CSc1ccc(CN(C2CCC(CC3CCC(N)CC3)CC2)C(=O)CCCc2c(Cc3ccc(O)cc3)[nH]c3ccccc23)cc1 |(27.71,-48.95,;27.71,-50.49,;29.04,-51.26,;30.38,-50.49,;31.71,-51.26,;31.7,-52.8,;33.04,-53.58,;34.37,-52.81,;34.37,-51.25,;35.72,-50.48,;35.72,-48.93,;34.38,-48.14,;34.39,-46.6,;35.72,-45.84,;37.05,-46.63,;38.39,-45.87,;38.4,-44.33,;39.74,-43.57,;37.07,-43.55,;35.72,-44.31,;33.03,-48.92,;33.02,-50.48,;35.71,-53.58,;35.71,-55.14,;37.06,-52.81,;38.39,-53.57,;39.72,-52.8,;41.06,-53.57,;41.64,-52.14,;40.82,-50.84,;41.55,-49.48,;43.09,-49.43,;43.81,-48.07,;42.99,-46.76,;43.72,-45.4,;41.45,-46.82,;40.73,-48.18,;43.17,-52.25,;43.55,-53.75,;44.89,-54.47,;44.95,-56,;43.64,-56.81,;42.28,-56.08,;42.24,-54.55,;30.38,-53.57,;29.05,-52.81,)|
BDBM50217791 COC(=O)c1ccc(CN(C2CCC(CC3CCC(N)CC3)CC2)C(=O)CCCc2c(Cc3ccc(O)cc3)[nH]c3ccccc23)cc1 |(-12.32,-50.61,;-10.98,-51.38,;-9.64,-50.61,;-9.64,-49.07,;-8.31,-51.38,;-6.98,-50.61,;-5.65,-51.38,;-5.65,-52.92,;-4.32,-53.69,;-2.99,-52.92,;-2.99,-51.37,;-1.64,-50.59,;-1.63,-49.04,;-2.98,-48.26,;-2.97,-46.72,;-1.63,-45.96,;-.3,-46.74,;1.03,-45.98,;1.04,-44.44,;2.38,-43.68,;-.29,-43.66,;-1.63,-44.43,;-4.33,-49.04,;-4.33,-50.6,;-1.64,-53.7,;-1.64,-55.26,;-.3,-52.92,;1.03,-53.69,;2.37,-52.92,;3.7,-53.68,;4.28,-52.26,;3.47,-50.95,;4.19,-49.59,;5.73,-49.54,;6.45,-48.19,;5.64,-46.88,;6.36,-45.52,;4.09,-46.94,;3.37,-48.3,;5.82,-52.36,;6.19,-53.86,;7.54,-54.58,;7.59,-56.11,;6.28,-56.93,;4.93,-56.2,;4.88,-54.67,;-6.98,-53.69,;-8.31,-52.93,)|
BDBM50217792 NCCCCCN(Cc1ccc2ccccc2c1)C(=O)Cc1c[nH]c2ccccc12
BDBM50217793 CCN(CC)c1ccc(CN(CCCCCN)C(=O)CCCc2c[nH]c3ccccc23)cc1
BDBM50217631 NCc1cccc(CN(Cc2ccccc2)C(=O)CCCc2c[nH]c3ccccc23)c1
BDBM50217632 NCCCCN(C\C(Cl)=C\c1ccccc1)C(=O)CCCc1c[nH]c2ccccc12
BDBM50217633 NCCCN(C\C=C\c1ccccc1)C(=O)Cc1c[nH]c2ccccc12
BDBM50217634 NC1CCC(CC2CCC(CC2)N(C\C(Cl)=C\c2ccccc2)C(=O)COc2ccc3ccccc3c2)CC1 |(15.37,-1.47,;14.05,-2.25,;14.06,-3.78,;12.74,-4.56,;11.4,-3.8,;10.08,-4.58,;10.1,-6.12,;11.45,-6.88,;11.47,-8.42,;10.13,-9.21,;8.78,-8.46,;8.77,-6.91,;10.16,-10.76,;8.83,-11.56,;7.47,-10.8,;7.45,-9.25,;6.14,-11.6,;4.79,-10.84,;4.77,-9.29,;3.42,-8.54,;2.09,-9.33,;2.11,-10.89,;3.47,-11.64,;11.51,-11.52,;11.54,-13.07,;12.84,-10.72,;14.17,-11.46,;15.5,-10.69,;16.82,-11.46,;18.16,-10.7,;18.15,-9.16,;19.48,-8.39,;19.48,-6.85,;18.14,-6.08,;16.81,-6.86,;16.82,-8.39,;15.49,-9.16,;11.39,-2.27,;12.71,-1.5,)|
BDBM50217635 NCCCN(C1CCc2ccccc2C1)C(=O)c1cc2cc(OCc3ccccc3)ccc2[nH]1 |w:5.4|
BDBM50217636 N[C@H]1CC[C@@H](CC1)NC(=O)NC1CCCC(C1)N(Cc1ccccc1)C(=O)CCCc1c[nH]c2ccccc12 |wU:4.7,wD:1.0,(16.63,-2.49,;15.28,-3.23,;13.96,-2.42,;12.6,-3.16,;12.58,-4.7,;13.89,-5.5,;15.24,-4.77,;11.23,-5.44,;9.91,-4.64,;9.94,-3.1,;8.56,-5.38,;7.21,-6.11,;5.89,-5.31,;4.53,-6.04,;4.5,-7.59,;5.82,-8.38,;7.16,-7.65,;5.83,-9.93,;4.47,-10.82,;3.02,-10.08,;2.94,-8.46,;1.49,-7.72,;.13,-8.61,;.22,-10.24,;1.67,-10.97,;7.13,-10.73,;7.1,-12.25,;8.48,-9.99,;9.8,-10.79,;11.15,-10.05,;12.13,-10.31,;12.79,-11.71,;14.31,-11.51,;14.6,-10,;15.91,-9.21,;15.87,-7.67,;14.52,-6.94,;13.22,-7.73,;13.26,-9.26,)|
BDBM50217637 COc1ccc2n(C(=O)c3ccc(Cl)cc3)c(C)c(CC(=O)N(CCCCN)C\C(C)=C\c3ccccc3)c2c1
BDBM50217638 Cc1ccccc1CN(C1CCC(CC2CCC(N)CC2)CC1)C(=O)CCCc1c[nH]c2ccccc12 |(31.04,-6.55,;31.01,-5.01,;29.67,-4.27,;29.64,-2.72,;30.97,-1.93,;32.32,-2.69,;32.33,-4.23,;33.68,-4.98,;35,-4.19,;34.97,-2.63,;36.31,-1.84,;36.29,-.29,;34.94,.47,;34.92,2.01,;36.24,2.8,;37.58,2.03,;38.91,2.81,;38.9,4.35,;40.22,5.13,;37.56,5.11,;36.23,4.33,;33.6,-.32,;33.61,-1.88,;36.35,-4.95,;36.38,-6.5,;37.68,-4.15,;39.02,-4.89,;40.35,-4.12,;41.68,-4.88,;43.09,-4.21,;44.14,-5.33,;43.39,-6.68,;43.88,-8.12,;42.88,-9.28,;41.37,-8.98,;40.88,-7.53,;41.89,-6.37,)|
BDBM50217639 CC(N(CCCN)C(=O)CCCc1c[nH]c2ccccc12)c1csc2ccccc12 |w:1.0|
BDBM50217640 CC(N(CCCCCN)C(=O)Cc1c[nH]c2ccccc12)c1ccc(cc1)C(F)(F)F |w:1.0|
BDBM50217641 N[C@H]1CC[C@@H](CC1)N(Cc1ccccc1)C(=O)CCCc1c[nH]c2ccccc12 |wU:1.0,wD:4.7,(8.26,-5.32,;8.28,-6.87,;9.62,-7.63,;9.64,-9.17,;8.32,-9.96,;6.96,-9.21,;6.94,-7.66,;8.34,-11.51,;7.01,-12.27,;5.68,-11.49,;5.7,-9.96,;4.38,-9.19,;3.05,-9.95,;3.04,-11.49,;4.37,-12.26,;9.64,-12.31,;9.61,-13.84,;11,-11.57,;12.32,-12.37,;13.68,-11.63,;14.67,-11.89,;15.32,-13.29,;16.86,-13.1,;17.14,-11.58,;18.46,-10.78,;18.43,-9.24,;17.07,-8.5,;15.76,-9.3,;15.79,-10.83,)|
BDBM50217642 CC(CN(CCCCCCN)C(=O)c1cc2cc(O)ccc2[nH]1)Cc1ccccc1 |w:1.0|
BDBM50217643 NCCCN(Cc1ccc2ccccc2c1)C(=O)Cc1c[nH]c2ccccc12
BDBM50217644 COc1cc(Cl)c(CN(C2CCC(CC3CCC(N)CC3)CC2)C(=O)CCCc2c[nH]c3ccccc23)cc1OC |(20.46,-54,;20.49,-55.54,;21.83,-56.29,;21.86,-57.84,;23.2,-58.58,;23.23,-60.12,;24.52,-57.79,;25.87,-58.54,;27.19,-57.75,;27.16,-56.19,;28.5,-55.4,;28.48,-53.85,;27.13,-53.09,;27.11,-51.55,;28.44,-50.76,;29.78,-51.53,;31.1,-50.75,;31.09,-49.21,;32.42,-48.42,;29.75,-48.45,;28.42,-49.23,;25.79,-53.88,;25.8,-55.44,;28.54,-58.51,;28.57,-60.06,;29.87,-57.71,;31.21,-58.44,;32.55,-57.67,;33.9,-58.4,;35.3,-57.76,;36.34,-58.89,;35.59,-60.24,;36.08,-61.68,;35.08,-62.84,;33.56,-62.54,;33.07,-61.09,;34.08,-59.93,;24.5,-56.25,;23.16,-55.5,;23.14,-53.96,;24.46,-53.17,)|
BDBM50217645 NCCCN(CCc1ccccc1)C(=O)CCCc1c[nH]c2ccccc12
BDBM50217646 NCc1ccc(CN(Cc2ccc3ccccc3c2)C(=O)CCCc2c[nH]c3ccccc23)cc1
BDBM50217647 CC1CC(CC2CCC(C(C)C2)N(Cc2ccccc2)C(=O)CCCc2c[nH]c3ccccc23)CCC1N |w:8.12,5.4,3.3,9.9,36.41,1.0|
BDBM50217648 NCCCN(C\C(Cl)=C\c1ccccc1)C(=O)CCCc1c[nH]c2ccccc12
BDBM50217649 NCCCCCN(Cc1ccc2ccccc2c1)C(=O)CCCc1c[nH]c2ccccc12
BDBM50217650 NC1CCC(CC2CCC(CC2)N(Cc2ccccc2)C(=O)CCCc2c[nH]c3ccccc23)CC1 |(34.29,-13.78,;32.97,-14.56,;32.98,-16.09,;31.66,-16.87,;30.32,-16.11,;29,-16.89,;29.02,-18.43,;30.37,-19.19,;30.39,-20.73,;29.05,-21.52,;27.7,-20.77,;27.69,-19.21,;29.08,-23.07,;27.64,-23.9,;26.22,-23.07,;26.22,-21.41,;24.79,-20.58,;23.36,-21.4,;23.36,-23.07,;24.79,-23.89,;30.43,-23.83,;30.46,-25.38,;31.75,-23.03,;33.09,-23.77,;34.42,-23,;35.74,-23.76,;37.15,-23.09,;38.2,-24.21,;37.45,-25.55,;37.94,-26.99,;36.94,-28.15,;35.43,-27.85,;34.94,-26.4,;35.95,-25.25,;30.31,-14.58,;31.63,-13.81,)|
BDBM50217651 NCCCCCN(Cc1ccc2ccccc2c1)C(=O)CCc1c[nH]c2ccccc12
BDBM50217652 NCC1CCCC(CN(Cc2ccccc2)C(=O)CCCc2c[nH]c3ccccc23)C1 |w:6.6,2.1|
BDBM50217653 NC1CCC(CC2CCC(CC2)N(Cc2c(F)cccc2F)C(=O)CCCc2c[nH]c3ccccc23)CC1 |(39.45,-34.23,;38.12,-35,;38.13,-36.55,;36.81,-37.33,;35.47,-36.56,;34.14,-37.34,;34.16,-38.88,;35.51,-39.65,;35.54,-41.2,;34.19,-41.99,;32.83,-41.24,;32.82,-39.68,;34.22,-43.54,;32.86,-44.51,;32.89,-47.27,;31.57,-48.06,;30.22,-47.31,;31.59,-49.6,;32.95,-50.35,;34.26,-49.55,;34.23,-48.02,;35.55,-47.23,;35.57,-44.3,;35.6,-45.86,;36.9,-43.51,;38.24,-44.24,;39.58,-43.47,;40.9,-44.23,;42.31,-43.56,;43.37,-44.69,;42.62,-46.03,;43.11,-47.48,;42.11,-48.64,;40.59,-48.34,;40.1,-46.89,;41.11,-45.73,;35.45,-35.03,;36.78,-34.25,)|
BDBM50217654 NCCCN(Cc1ccc2ccccc2c1)C(=O)Cc1ccc2ccccc2c1
BDBM50217655 NC(N)=NCCCN(Cc1ccc2ccccc2c1)C(=O)CCCc1c[nH]c2ccccc12 |(12.1,-27.56,;13.64,-27.56,;14.41,-26.24,;14.41,-28.9,;13.11,-29.73,;13.19,-31.27,;14.56,-31.97,;14.64,-33.51,;13.31,-34.45,;11.91,-33.63,;10.51,-34.44,;9.1,-33.62,;9.11,-31.99,;7.71,-31.18,;7.71,-29.56,;9.13,-28.75,;10.53,-29.57,;10.52,-31.19,;11.9,-32.11,;15.97,-34.25,;16,-35.78,;17.29,-33.46,;18.64,-34.21,;19.96,-33.42,;21.3,-34.16,;21.2,-35.7,;22.62,-36.27,;23.61,-35.09,;25.14,-35.03,;25.85,-33.68,;25.03,-32.38,;23.51,-32.44,;22.8,-33.79,)|
BDBM50217656 NCCCN(C\C(Cl)=C\c1ccccc1)C(=O)C(=O)c1c[nH]c2ccccc12
BDBM50217678 NC1CCC(CC2CCC(CC2)N(CC(Br)=C)C(=O)CCCc2c[nH]c3ccccc23)CC1 |(20.22,4.36,;18.9,3.59,;18.91,2.05,;17.59,1.27,;16.25,2.03,;14.92,1.25,;14.94,-.29,;16.29,-1.05,;16.31,-2.61,;14.97,-3.39,;13.61,-2.65,;13.61,-1.08,;15,-4.95,;13.64,-5.91,;12.13,-5.21,;12.12,-3.54,;10.77,-6.18,;16.35,-5.71,;16.38,-7.26,;17.68,-4.91,;19.02,-5.65,;20.36,-4.88,;21.68,-5.64,;23.09,-4.97,;24.14,-6.09,;23.39,-7.44,;23.88,-8.88,;22.88,-10.04,;21.37,-9.74,;20.88,-8.29,;21.89,-7.13,;16.23,3.56,;17.56,4.34,)|
BDBM50217679 NCCCN1CCN(CCCN(Cc2ccccc2)C(=O)CCCc2c[nH]c3ccccc23)CC1
BDBM50217680 NC1CCC(CC2CCC(CC2)N(Cc2ccncc2)C(=O)CCCc2c[nH]c3ccccc23)CC1 |(.66,-30.67,;-.67,-31.45,;-.66,-32.99,;-1.99,-33.77,;-3.33,-33.01,;-4.65,-33.79,;-4.64,-35.33,;-3.28,-36.09,;-3.26,-37.65,;-4.6,-38.44,;-5.96,-37.69,;-5.97,-36.12,;-4.58,-40,;-5.9,-40.79,;-7.25,-40.04,;-7.27,-38.5,;-8.61,-37.75,;-9.94,-38.54,;-9.91,-40.08,;-8.56,-40.83,;-3.22,-40.76,;-3.19,-42.31,;-1.89,-39.96,;-.55,-40.69,;.79,-39.92,;2.11,-40.68,;3.52,-40.01,;4.57,-41.14,;3.83,-42.49,;4.32,-43.93,;3.32,-45.09,;1.8,-44.79,;1.31,-43.34,;2.32,-42.18,;-3.34,-31.47,;-2.02,-30.69,)|
BDBM50217681 COc1cc(O)ccc1\C=C\CN(C1CCC(CC2CCC(N)CC2)CC1)C(=O)CCCc1c[nH]c2ccccc12 |(13.67,-7.89,;14.99,-7.1,;14.96,-5.56,;13.62,-4.82,;13.59,-3.27,;12.24,-2.52,;14.91,-2.48,;16.26,-3.23,;16.27,-4.77,;17.62,-5.52,;18.94,-4.73,;20.29,-5.49,;21.61,-4.69,;21.58,-3.14,;22.92,-2.35,;22.9,-.8,;21.55,-.03,;21.53,1.51,;22.85,2.29,;24.19,1.52,;25.52,2.3,;25.51,3.85,;26.83,4.62,;24.16,4.6,;22.84,3.82,;20.21,-.83,;20.22,-2.39,;22.96,-5.45,;22.99,-7.01,;24.29,-4.66,;25.63,-5.39,;26.96,-4.62,;28.28,-5.38,;29.7,-4.71,;30.75,-5.84,;30,-7.18,;30.49,-8.63,;29.49,-9.79,;27.97,-9.49,;27.48,-8.04,;28.5,-6.88,)|
BDBM50217682 NCCN(C1CCC2(CCCCC2)CC1)C(=O)COc1ccc2ccccc2c1
BDBM50217794 NC1CCCC(C1)N(C\C(Cl)=C\c1ccccc1)C(=O)CCCc1c[nH]c2ccccc12 |w:5.7,1.0|
BDBM50217657 COc1cc(Br)c(CN([C@@H]2CC[C@H](C[C@H]3CC[C@H](N)CC3)CC2)C(=O)CCCc2c(Cc3ccc(O)cc3)[nH]c3ccccc23)cc1OC |wU:14.13,wD:9.8,12.12,17.17,(-3.88,-4.51,;-3.8,-6.14,;-2.36,-6.89,;-2.28,-8.53,;-.83,-9.28,;-.76,-10.9,;.53,-8.4,;2.01,-9.08,;3.34,-8.14,;3.26,-6.6,;1.89,-5.91,;1.82,-4.36,;3.11,-3.53,;3.04,-1.99,;4.33,-1.15,;4.35,.38,;5.7,1.12,;7.03,.33,;8.37,1.07,;6.99,-1.21,;5.65,-1.96,;4.48,-4.23,;4.56,-5.76,;4.67,-8.88,;4.7,-10.41,;5.97,-8.1,;7.29,-8.82,;8.6,-8.07,;9.89,-8.81,;11.28,-8.16,;12.04,-6.82,;13.58,-6.81,;14.36,-8.13,;15.89,-8.12,;16.66,-6.78,;18.2,-6.77,;15.87,-5.45,;14.33,-5.47,;12.36,-9.25,;11.58,-10.57,;12.06,-12,;11.07,-13.13,;9.59,-12.83,;9.1,-11.41,;10.1,-10.28,;.47,-6.77,;-.97,-6.02,;-1.04,-4.39,;-2.49,-3.63,)|
BDBM50217760 NCCCCN(Cc1ccc2ccccc2c1)C(=O)c1c[nH]c2ccccc12
BDBM50217761 CCC(N(CCCCN)C(=O)CCc1c[nH]c2ccccc12)c1ccccc1 |w:2.1|
BDBM50217762 CC(N(CCN)C(=O)Cc1c[nH]c2ccccc12)c1ccc2ccccc2c1 |w:1.0|
BDBM50217763 C\C(CN(CCCCCCN)C(=O)c1cc2cc(O)ccc2[nH]1)=C/c1ccccc1
BDBM50217764 NCCCCCN(Cc1ccccc1)C(=O)[C@@H](N)Cc1ccc2ccccc2c1
BDBM50217765 COc1ccc(CN(C2CCC(CC3CCC(N)CC3)CC2)C(=O)CCCc2c[nH]c3ccccc23)cc1Br |(6.83,-52,;6.86,-53.54,;8.2,-54.29,;9.53,-53.5,;10.87,-54.25,;10.89,-55.79,;12.24,-56.54,;13.56,-55.75,;13.53,-54.19,;14.87,-53.4,;14.85,-51.85,;13.5,-51.09,;13.48,-49.55,;14.8,-48.76,;16.14,-49.53,;17.47,-48.75,;17.46,-47.21,;18.78,-46.42,;16.11,-46.45,;14.79,-47.23,;12.16,-51.88,;12.17,-53.44,;14.91,-56.51,;14.94,-58.06,;16.24,-55.71,;17.58,-56.45,;18.91,-55.68,;20.26,-56.4,;21.66,-55.76,;22.71,-56.89,;21.95,-58.24,;22.44,-59.68,;21.44,-60.84,;19.92,-60.54,;19.43,-59.09,;20.44,-57.93,;9.58,-56.58,;8.23,-55.84,;6.91,-56.63,)|
BDBM50217766 NC1CCC(CC2CCC(CC2)N(Cc2ccccc2Cl)C(=O)CCCc2c(Cc3ccc(O)cc3)[nH]c3ccccc23)CC1 |(1.1,-44.55,;-.22,-45.33,;-.21,-46.87,;-1.54,-47.65,;-2.88,-46.88,;-4.2,-47.67,;-4.18,-49.21,;-2.83,-49.97,;-2.81,-51.52,;-4.15,-52.31,;-5.51,-51.56,;-5.52,-50,;-4.12,-53.87,;-5.44,-54.66,;-6.8,-53.91,;-6.81,-52.37,;-8.16,-51.62,;-9.48,-52.41,;-9.45,-53.96,;-8.11,-54.7,;-8.08,-56.24,;-2.77,-54.63,;-2.74,-56.18,;-1.44,-53.83,;-.1,-54.56,;1.23,-53.79,;2.56,-54.55,;3.97,-53.88,;4.73,-52.54,;6.27,-52.53,;7.05,-53.86,;8.59,-53.85,;9.35,-52.51,;10.89,-52.49,;8.56,-51.18,;7.02,-51.19,;5.02,-55.01,;4.27,-56.35,;4.76,-57.8,;3.76,-58.96,;2.25,-58.66,;1.76,-57.21,;2.77,-56.05,;-2.89,-45.35,;-1.56,-44.57,)|
BDBM50217659 Cc1ccc(CN(C2CCC(CC3CCC(N)CC3)CC2)C(=O)CCCc2c[nH]c3ccccc23)cc1 |(11.51,-19.5,;12.85,-20.25,;14.18,-19.46,;15.53,-20.21,;15.54,-21.75,;16.89,-22.5,;18.21,-21.71,;18.18,-20.16,;19.52,-19.37,;19.5,-17.81,;18.15,-17.05,;18.13,-15.51,;19.45,-14.73,;20.79,-15.49,;22.12,-14.71,;22.11,-13.17,;23.43,-12.39,;20.77,-12.42,;19.44,-13.2,;16.81,-17.84,;16.82,-19.41,;19.56,-22.47,;19.59,-24.03,;20.89,-21.68,;22.23,-22.41,;23.56,-21.64,;24.92,-22.37,;26.32,-21.73,;27.36,-22.86,;26.6,-24.2,;27.09,-25.65,;26.09,-26.8,;24.58,-26.5,;24.09,-25.05,;25.09,-23.9,;14.22,-22.54,;12.88,-21.79,)|
BDBM50217660 NCCCCCCCN(C\C(Cl)=C\c1ccccc1)C(=O)CCCc1c[nH]c2ccccc12
BDBM50217661 NCCCN(C\C=C\c1ccccc1)C(=O)CCc1c[nH]c2ccccc12
BDBM50217662 NCCCCCN(C1CCC2(CCC=CC2)CC1)C(=O)COc1ccc2ccccc2c1 |c:13,(-5.33,5.59,;-4,4.82,;-4,3.28,;-2.66,2.5,;-2.66,.94,;-4,.18,;-4,-1.37,;-5.34,-2.13,;-5.36,-3.67,;-6.69,-4.43,;-8.02,-3.65,;-9.34,-2.88,;-10.67,-3.66,;-10.67,-5.2,;-9.34,-5.96,;-8.02,-5.2,;-8.02,-2.12,;-6.67,-1.35,;-2.66,-2.15,;-2.66,-3.7,;-1.32,-1.37,;.02,-2.14,;1.35,-1.36,;1.34,.17,;2.66,.94,;4.01,.18,;5.33,.95,;6.67,.19,;6.67,-1.36,;5.34,-2.13,;4.01,-1.37,;2.68,-2.14,)|
BDBM50217663 NCCCCCN(\C=C\Cc1ccc2ccccc2c1)C(=O)CCCc1c[nH]c2ccccc12
BDBM50217664 NC(N)=NCCN(Cc1ccc2ccccc2c1)C(=O)CCCc1c[nH]c2ccccc12 |(10.65,-14.59,;12.19,-14.6,;12.96,-13.27,;12.95,-15.93,;13.03,-17.47,;14.4,-18.17,;14.49,-19.71,;13.16,-20.64,;11.75,-19.83,;10.35,-20.63,;8.95,-19.82,;8.95,-18.19,;7.56,-17.38,;7.56,-15.76,;8.97,-14.95,;10.38,-15.77,;10.37,-17.39,;11.77,-18.2,;15.81,-20.45,;15.84,-21.97,;17.14,-19.66,;18.48,-20.41,;19.8,-19.62,;21.14,-20.36,;21.04,-21.9,;22.46,-22.47,;23.45,-21.29,;24.97,-21.23,;25.69,-19.88,;24.87,-18.58,;23.34,-18.64,;22.63,-19.99,)|
BDBM50217665 N[C@H]1CC[C@@H](CC1)NC(=O)N[C@H]1CC[C@@H](CC1)N(Cc1ccccc1)C(=O)CCCc1c[nH]c2ccccc12 |wU:11.11,4.7,wD:14.18,1.0,(9.15,-8.14,;7.81,-8.9,;6.48,-8.11,;5.14,-8.87,;5.13,-10.41,;6.46,-11.19,;7.79,-10.44,;3.79,-11.17,;2.47,-10.39,;2.48,-8.85,;1.13,-11.15,;1.12,-12.69,;2.44,-13.47,;2.44,-15.01,;1.1,-15.77,;-.24,-15,;-.22,-13.45,;1.09,-17.31,;-.23,-18.07,;-1.56,-17.29,;-1.54,-15.76,;-2.86,-14.99,;-4.19,-15.75,;-4.2,-17.29,;-2.87,-18.06,;2.43,-18.09,;2.42,-19.63,;3.76,-17.32,;5.09,-18.09,;6.43,-17.33,;7.76,-18.1,;9.02,-17.2,;10.27,-18.12,;9.77,-19.59,;10.54,-20.92,;9.76,-22.25,;8.21,-22.24,;7.46,-20.9,;8.23,-19.58,)|
BDBM50217666 NC1CCCC(C1)NC(=O)NC1CCCC(C1)N(Cc1ccccc1)C(=O)CCCc1c(Cc2ccc(O)cc2)[nH]c2ccccc12
BDBM50217667 NCCCCN(Cc1ccccc1)C(=O)CCCc1c[nH]c2ccccc12
BDBM50217705 NC1CCC(CC2CCC(CC2)N(Cc2ccc(cc2)C#N)C(=O)CCCc2c(Cc3ccc(O)cc3)[nH]c3ccccc23)CC1 |(42.09,-14.04,;40.77,-14.81,;40.78,-16.35,;39.45,-17.14,;38.11,-16.37,;36.79,-17.15,;36.81,-18.69,;38.16,-19.46,;38.18,-21.01,;36.84,-21.8,;35.48,-21.05,;35.47,-19.49,;36.87,-23.35,;35.55,-24.14,;34.2,-23.4,;34.27,-21.86,;32.97,-21.04,;31.6,-21.75,;31.55,-23.3,;32.85,-24.11,;30.3,-20.93,;29,-20.11,;38.22,-24.11,;38.25,-25.67,;39.55,-23.32,;40.89,-24.05,;42.22,-23.28,;43.54,-24.04,;44.96,-23.37,;45.72,-22.03,;47.26,-22.02,;48.04,-23.35,;49.57,-23.34,;50.34,-22,;51.88,-21.98,;49.55,-20.66,;48.01,-20.68,;46.01,-24.5,;45.26,-25.84,;45.75,-27.29,;44.75,-28.45,;43.23,-28.14,;42.75,-26.69,;43.76,-25.54,;38.1,-14.84,;39.42,-14.06,)|
BDBM50217706 NCCCCN(Cc1ccccc1)C(=O)CCCc1c(Cc2ccc(O)cc2)[nH]c2ccccc12
BDBM50217707 NCCCCCN(C\C=C/c1ccccc1)C(=O)CCCc1c[nH]c2ccccc12
BDBM50217767 NCCCCN(Cc1ccc2ccccc2c1)C(=O)Cc1c[nH]c2ccccc12
BDBM50217768 NCCCN(C1CCc2ccccc2C1)C(=O)c1c[nH]c2ccccc12 |w:5.4|
BDBM50217769 Cc1cccc(CN(C2CCC(CC3CCC(N)CC3)CC2)C(=O)CCCc2c(Cc3ccc(O)cc3)[nH]c3ccccc23)c1 |(6.6,-5.03,;7.92,-4.24,;7.9,-2.69,;9.22,-1.9,;10.57,-2.65,;10.59,-4.2,;11.93,-4.95,;13.25,-4.16,;13.23,-2.6,;14.57,-1.81,;14.55,-.26,;13.19,.5,;13.18,2.04,;14.5,2.83,;15.84,2.06,;17.16,2.84,;17.15,4.38,;18.48,5.15,;15.81,5.14,;14.48,4.36,;11.86,-.29,;11.86,-1.85,;14.61,-4.92,;14.63,-6.47,;15.94,-4.12,;17.27,-4.86,;18.61,-4.09,;19.93,-4.85,;21.35,-4.18,;22.07,-2.82,;23.61,-2.82,;24.37,-4.16,;25.91,-4.16,;26.69,-2.83,;28.22,-2.83,;25.91,-1.49,;24.37,-1.49,;22.4,-5.3,;21.65,-6.65,;22.14,-8.09,;21.14,-9.25,;19.62,-8.95,;19.13,-7.5,;20.14,-6.34,;9.27,-4.98,)|
BDBM50217684 NCC1CCCC(CN(C\C(Cl)=C\c2ccccc2)C(=O)CCCc2c[nH]c3ccccc23)C1 |w:6.6,2.1|
BDBM50217685 NC1CCCC(C1)NC(=O)NC1CCCC(C1)N(Cc1ccccc1)C(=O)CCCc1c[nH]c2ccccc12
BDBM50217686 NC1CCC(CC2CCC(CC2)N(Cc2ccc(cc2)C#N)C(=O)CCCc2c[nH]c3ccccc23)CC1 |(23.5,-13.29,;22.17,-14.06,;22.18,-15.6,;20.86,-16.39,;19.51,-15.62,;18.19,-16.4,;18.21,-17.94,;19.56,-18.71,;19.58,-20.26,;18.24,-21.05,;16.88,-20.3,;16.87,-18.74,;18.27,-22.61,;16.95,-23.4,;15.6,-22.65,;15.67,-21.11,;14.37,-20.29,;13,-21,;12.95,-22.55,;14.25,-23.37,;11.7,-20.18,;10.4,-19.36,;19.62,-23.37,;19.65,-24.92,;20.95,-22.57,;22.29,-23.3,;23.63,-22.53,;24.95,-23.29,;26.36,-22.62,;27.42,-23.75,;26.67,-25.1,;27.16,-26.54,;26.16,-27.7,;24.64,-27.4,;24.15,-25.95,;25.16,-24.79,;19.5,-14.09,;20.83,-13.31,)|
BDBM50217687 COc1ccc(CN(C2CCC(CC3CCC(N)CC3)CC2)C(=O)CCCc2c(Cc3ccc(O)cc3)[nH]c3ccccc23)cc1Br |(22.87,-50.12,;22.89,-51.66,;24.24,-52.41,;25.56,-51.62,;26.91,-52.36,;26.93,-53.91,;28.27,-54.66,;29.59,-53.87,;29.57,-52.31,;30.91,-51.52,;30.89,-49.97,;29.53,-49.21,;29.52,-47.67,;30.84,-46.88,;32.18,-47.65,;33.51,-46.87,;33.49,-45.33,;34.82,-44.55,;32.15,-44.57,;30.83,-45.35,;28.2,-50,;28.21,-51.56,;30.95,-54.63,;30.97,-56.18,;32.28,-53.83,;33.61,-54.56,;34.95,-53.79,;36.27,-54.55,;37.69,-53.88,;38.45,-52.54,;39.99,-52.53,;40.76,-53.86,;42.3,-53.85,;43.06,-52.51,;44.6,-52.49,;42.27,-51.18,;40.74,-51.19,;38.74,-55.01,;37.99,-56.35,;38.48,-57.8,;37.48,-58.96,;35.96,-58.66,;35.47,-57.21,;36.48,-56.05,;25.62,-54.7,;24.27,-53.96,;22.95,-54.75,)|
BDBM50217688 NCCCCCN(Cc1ccccc1)C(=O)[C@H](N)Cc1ccc(cc1)-c1ccccc1
BDBM50217689 NCCCCN(C\C=C\c1ccccc1)C(=O)CCc1c[nH]c2ccccc12
BDBM50217690 NC1CCC(CC2CCC(CC2)N(C\C(Cl)=C\c2ccccc2)C(=O)c2cc3cc(OCc4ccccc4)ccc3[nH]2)CC1 |(15.07,2.38,;13.75,1.6,;13.76,.07,;12.44,-.71,;11.1,.05,;9.78,-.73,;9.8,-2.26,;11.15,-3.03,;11.17,-4.57,;9.83,-5.36,;8.48,-4.61,;8.47,-3.05,;9.86,-6.91,;8.5,-7.87,;7,-7.18,;6.99,-5.51,;5.64,-8.14,;4.17,-7.37,;4.11,-5.71,;2.64,-4.95,;1.24,-5.84,;1.31,-7.5,;2.78,-8.26,;11.21,-7.67,;11.23,-9.22,;12.53,-6.87,;13.45,-8.13,;14.88,-7.64,;16.2,-8.42,;17.53,-7.66,;18.85,-8.44,;18.84,-9.98,;20.16,-10.76,;20.15,-12.29,;21.47,-13.07,;22.81,-12.31,;22.81,-10.77,;21.49,-10,;17.54,-6.12,;16.22,-5.36,;14.89,-6.11,;13.43,-5.62,;11.09,1.58,;12.41,2.35,)|
BDBM50217691 C\C(CN(CCCN)C(=O)Cc1c[nH]c2ccccc12)=C/c1ccccc1
BDBM50217692 NCCN(Cc1ccccc1)C(=O)CCCc1c[nH]c2ccccc12
BDBM50217693 NCCCCCN(Cc1ccccc1)C(=O)[C@@H](N)Cc1c[nH]c2ccccc12
BDBM50217694 C\C(CN(CCCN)C(=O)CCCc1cccs1)=C/c1ccccc1
BDBM50217695 NCCCN(CCCc1ccccc1)C(=O)Cc1c[nH]c2ccccc12
BDBM50217708 NC1CCC(CC2CCC(CC2)N(CCc2c(F)cccc2Cl)C(=O)CCCc2c[nH]c3ccccc23)CC1 |(40.94,4.39,;39.61,3.61,;39.63,2.07,;38.3,1.29,;36.96,2.06,;35.64,1.27,;35.66,-.27,;37.01,-1.03,;37.03,-2.58,;35.69,-3.37,;34.33,-2.62,;34.32,-1.06,;35.71,-4.93,;34.39,-5.72,;34.42,-7.26,;33.1,-8.05,;31.76,-7.3,;31.74,-5.76,;30.44,-8.09,;30.46,-9.63,;31.82,-10.38,;33.13,-9.58,;34.48,-10.32,;37.07,-5.69,;37.09,-7.24,;38.4,-4.89,;39.74,-5.63,;41.07,-4.86,;42.39,-5.62,;43.81,-4.95,;44.86,-6.07,;44.11,-7.42,;44.6,-8.86,;43.6,-10.02,;42.08,-9.72,;41.59,-8.27,;42.61,-7.11,;36.95,3.59,;38.27,4.37,)|
BDBM50217709 NCCCCCN(C\C(Cl)=C/c1ccccc1)C(=O)CCCc1c[nH]c2ccccc12
BDBM50217732 NC(N)=NCCCCN(Cc1ccc2ccccc2c1)C(=O)CCCc1c[nH]c2ccccc12 |(10.89,-42.06,;12.43,-42.07,;13.21,-40.74,;13.2,-43.4,;13.28,-44.94,;11.99,-45.78,;12.07,-47.32,;13.44,-48.01,;13.52,-49.55,;12.2,-50.49,;10.79,-49.67,;9.39,-50.48,;7.99,-49.67,;7.99,-48.03,;6.59,-47.22,;6.59,-45.6,;8.01,-44.79,;9.41,-45.61,;9.4,-47.23,;10.78,-48.15,;14.85,-50.29,;14.88,-51.82,;16.17,-49.5,;17.51,-50.25,;18.84,-49.47,;20.17,-50.2,;20.08,-51.74,;21.5,-52.31,;22.48,-51.13,;24.01,-51.07,;24.73,-49.72,;23.9,-48.42,;22.38,-48.48,;21.67,-49.83,)|
BDBM50217669 NCCCCCN(Cc1ccccc1)C(=O)CCCc1c[nH]c2ccccc12
BDBM50217710 NCCCN(Cc1ccccc1)C(=O)CCCc1c[nH]c2ccccc12
BDBM50217733 NCCCCCN(Cc1ccccc1)C(=O)CCCc1c(Cc2ccc(O)cc2)[nH]c2ccccc12
BDBM50217734 NCCCCCN(C1CCCCCC1)C(=O)Cc1c[nH]c2ccccc12
BDBM50217770 NC1CCC(CC2CCC(CC2)N(Cc2ccccn2)C(=O)CCCc2c[nH]c3ccccc23)CC1 |(-.44,-44.44,;-1.76,-45.23,;-1.75,-46.77,;-3.08,-47.55,;-4.42,-46.78,;-5.74,-47.57,;-5.72,-49.11,;-4.37,-49.87,;-4.35,-51.42,;-5.69,-52.21,;-7.05,-51.46,;-7.06,-49.9,;-5.66,-53.77,;-6.98,-54.56,;-8.33,-53.81,;-8.35,-52.27,;-9.69,-51.52,;-11.02,-52.31,;-10.99,-53.86,;-9.64,-54.6,;-4.31,-54.52,;-4.28,-56.08,;-2.98,-53.73,;-1.64,-54.46,;-.31,-53.69,;1.05,-54.42,;2.45,-53.78,;3.49,-54.91,;2.73,-56.25,;3.22,-57.7,;2.22,-58.86,;.71,-58.56,;.22,-57.11,;1.22,-55.95,;-4.43,-45.25,;-3.1,-44.47,)|
BDBM50217772 NCCCCCN(CCc1ccc2ccccc2c1)C(=O)Cc1c[nH]c2ccccc12
BDBM50217773 NCCN(C1CCC2(CCCCC2)CC1)C(=O)CCCc1c[nH]c2ccccc12
BDBM50217774 CCCCCN(Cc1ccc(cc1)N(CC)CC)C(=O)CCCc1c[nH]c2ccccc12
BDBM50217775 NC1CCC(CC2CCC(CC2)N(Cc2c(F)cccc2F)C(=O)CCCc2c(Cc3ccc(O)cc3)[nH]c3ccccc23)CC1 |(-.63,5.55,;-1.96,4.77,;-1.94,3.23,;-3.27,2.45,;-4.61,3.22,;-5.93,2.43,;-5.92,.89,;-4.56,.13,;-4.54,-1.42,;-5.88,-2.21,;-7.25,-1.46,;-7.25,.1,;-5.86,-3.77,;-7.22,-4.73,;-7.19,-7.49,;-8.51,-8.28,;-9.86,-7.53,;-8.49,-9.82,;-7.13,-10.57,;-5.82,-9.78,;-5.85,-8.24,;-4.53,-7.45,;-4.5,-4.53,;-4.48,-6.08,;-3.17,-3.73,;-1.84,-4.47,;-.5,-3.7,;.82,-4.46,;2.24,-3.79,;3,-2.45,;4.54,-2.43,;5.31,-3.76,;6.85,-3.75,;7.61,-2.41,;9.15,-2.4,;6.82,-1.08,;5.29,-1.1,;3.29,-4.91,;2.54,-6.26,;3.03,-7.7,;2.03,-8.86,;.51,-8.56,;.02,-7.11,;1.03,-5.95,;-4.63,4.75,;-3.3,5.53,)|
BDBM50217711 Cc1cccc(CN(C2CCC(CC3CCC(N)CC3)CC2)C(=O)CCCc2c[nH]c3ccccc23)c1 |(-10.54,-4.79,;-9.23,-4,;-9.25,-2.45,;-7.93,-1.66,;-6.58,-2.42,;-6.56,-3.96,;-5.22,-4.71,;-3.9,-3.92,;-3.92,-2.36,;-2.58,-1.57,;-2.6,-.02,;-3.96,.74,;-3.97,2.28,;-2.65,3.07,;-1.31,2.3,;.02,3.08,;0,4.62,;1.33,5.41,;-1.34,5.38,;-2.67,4.6,;-5.29,-.05,;-5.29,-1.61,;-2.54,-4.68,;-2.52,-6.23,;-1.21,-3.88,;.12,-4.61,;1.46,-3.84,;2.81,-4.57,;4.21,-3.93,;5.25,-5.06,;4.5,-6.41,;4.99,-7.85,;3.99,-9.01,;2.47,-8.71,;1.98,-7.26,;2.99,-6.1,;-7.88,-4.74,)|
BDBM50217712 NCCCCCN(C\C(Cl)=C/c1ccccc1)C(=O)\C=C\c1c[nH]c2ccccc12
BDBM50217735 COc1cc(Br)c(\C=C\CN(C2CCC(CC3CCC(N)CC3)CC2)C(=O)CCCc2c(Cc3ccc(O)cc3)[nH]c3ccccc23)cc1OC |(15.88,-19.42,;15.9,-20.96,;17.24,-21.71,;17.27,-23.26,;18.62,-24,;18.64,-25.54,;19.93,-23.21,;21.27,-23.96,;22.6,-23.18,;23.94,-23.93,;25.26,-23.14,;25.23,-21.58,;26.58,-20.79,;26.56,-19.24,;25.2,-18.48,;25.18,-16.94,;26.51,-16.15,;27.85,-16.92,;29.17,-16.14,;29.16,-14.6,;30.49,-13.82,;27.82,-13.84,;26.49,-14.62,;23.87,-19.27,;23.87,-20.83,;26.61,-23.9,;26.64,-25.45,;27.94,-23.1,;29.28,-23.83,;30.62,-23.06,;31.94,-23.82,;33.35,-23.15,;34.12,-21.81,;35.66,-21.8,;36.43,-23.13,;37.97,-23.12,;38.73,-21.78,;40.27,-21.76,;37.94,-20.45,;36.41,-20.46,;34.41,-24.28,;33.66,-25.62,;34.15,-27.07,;33.15,-28.23,;31.63,-27.93,;31.14,-26.48,;32.15,-25.32,;19.91,-21.67,;18.57,-20.92,;18.55,-19.38,;19.87,-18.59,)|
BDBM50217736 NC1CCCC(C1)N(Cc1ccccc1)C(=O)CCCc1c[nH]c2ccccc12 |w:1.0,5.7|
BDBM50217737 NC(N)=NCCCN(Cc1ccc2ccccc2c1)C(=O)CCc1c[nH]c2ccccc12 |(-5.99,-28.17,;-4.45,-28.18,;-3.68,-26.85,;-3.69,-29.52,;-4.98,-30.35,;-4.9,-31.89,;-3.53,-32.58,;-3.45,-34.12,;-4.78,-35.06,;-6.18,-34.24,;-7.58,-35.05,;-8.99,-34.24,;-8.99,-32.61,;-10.38,-31.79,;-10.38,-30.17,;-8.96,-29.36,;-7.56,-30.18,;-7.57,-31.8,;-6.19,-32.72,;-2.12,-34.87,;-2.09,-36.39,;-.8,-34.08,;.55,-34.82,;1.89,-34.08,;2.46,-35.51,;3.99,-35.42,;4.37,-33.92,;5.73,-33.22,;5.8,-31.68,;4.5,-30.86,;3.15,-31.57,;3.08,-33.1,)|
BDBM50215800 CC(C)CCN(CCC(C)C)C(=O)c1ccc2nc(Cc3ccc(cc3)C(C)=O)n(CCCN3CCCCC3)c2c1
BDBM50215807 COc1ccc(cc1)C(=O)c1nc2ccc(cc2n1CCCN1CCCCC1)C(=O)N(CCC(C)C)CCC(C)C
BDBM50215816 CC(C)CCN(CCC(C)C)C(=O)c1ccc2nc(Nc3ccc(cc3)C(C)=O)n(CCCN3CCCCC3)c2c1
BDBM50215828 CNC(=O)c1ccc(Nc2nc3ccc(cc3n2CCCN2CCCCC2)C(=O)N(CCC(C)C)CCC(C)C)cc1
BDBM50220688 CN1CCN[C@H](C1)C(=O)N[C@@H](Cc1ccc(F)cc1)C(=O)N1CCC(CC1)(C1CCC(C)(C)CC1)C(=O)NC(C)(C)C
BDBM50220689 CCC(C)C1(Cc2nnnn2C)CCN(CC1)C(=O)[C@H](Cc1ccc(Cl)cc1)NC(=O)[C@H]1Cc2ccccc2CN1 |w:2.2|
BDBM50220691 CC(C)CC1(Cc2nnnn2C)CCN(CC1)C(=O)[C@H](Cc1ccc(Cl)cc1)NC(=O)[C@H]1Cc2ccccc2CN1
BDBM50220694 Cn1nnnc1CC1(CCN(CC1)C(=O)[C@H](Cc1ccc(Cl)cc1)NC(=O)[C@H]1Cc2ccccc2CN1)c1ccc(Cl)cc1
BDBM50220699 CC1CCC(CC1)C1(CCN(CC1)C(=O)[C@H](Cc1ccc(F)cc1)NC(=O)[C@H]1CN(C)CCN1)C(=O)NC(C)(C)C |wU:27.29,wD:15.26,(5.43,-14.96,;4.11,-15.74,;4.11,-17.28,;2.79,-18.06,;1.45,-17.3,;1.43,-15.76,;2.77,-14.98,;.13,-18.08,;1.46,-18.85,;1.46,-20.39,;.12,-21.15,;-1.21,-20.4,;-1.2,-18.85,;.13,-22.69,;1.46,-23.46,;-1.2,-23.47,;-1.2,-25.01,;.14,-25.77,;.13,-27.31,;1.47,-28.08,;2.8,-27.3,;4.14,-28.07,;2.79,-25.75,;1.45,-25,;-2.54,-22.7,;-3.87,-23.47,;-3.87,-25.01,;-5.21,-22.71,;-6.55,-23.49,;-7.89,-22.72,;-9.22,-23.49,;-7.9,-21.16,;-6.56,-20.38,;-5.21,-21.15,;-1.2,-17.31,;-2.54,-18.08,;-1.2,-15.77,;-2.54,-15,;-1.78,-13.66,;-3.32,-16.33,;-3.88,-14.24,)|
BDBM50220700 CCCCCCC1(Cc2nnnn2C)CCN(CC1)C(=O)[C@H](Cc1ccc(Cl)cc1)NC(=O)[C@H]1Cc2ccccc2CN1
BDBM50220702 Cn1nnnc1CC1(CCN(CC1)C(=O)[C@H](Cc1ccc(Cl)cc1)NC(=O)[C@H]1Cc2ccccc2CN1)C1CCOCC1
BDBM50220703 Cn1nnnc1CC1(CCN(CC1)C(=O)[C@H](Cc1ccc(Cl)cc1)NC(=O)[C@H]1Cc2ccccc2CN1)C1CCCCC1
BDBM50220706 Cn1nnnc1CC1(Cc2ccccc2)CCN(CC1)C(=O)[C@H](Cc1ccc(Cl)cc1)NC(=O)[C@H]1Cc2ccccc2CN1
BDBM50221119 CC(C)C[C@H](NC(=O)CCN(C)C)c1cc(C)ccc1N1CCN(CC1)C(=O)[C@@H](Cc1ccc(Cl)cc1Cl)N1CCCC1=O
BDBM50221120 CC(C)C[C@H](NCCN)c1cccc(F)c1N1CCN(CC1)C(=O)[C@@H](Cc1ccc(Cl)cc1Cl)N1CCCC1=O
BDBM50221125 CC(C)C[C@H](NC(=O)CCN)c1cccc(F)c1N1CCN(CC1)C(=O)[C@@H](Cc1ccc(Cl)cc1Cl)N1CCCC1=O
BDBM50224177 CC(C)[C@H](NC(=O)CCN)c1cc(C)ccc1N1CCN(CC1)C(=O)[C@H](C)Cc1ccc(Cl)cc1 |r|
BDBM50224181 CC(C)[C@H](NC(=O)CCN(C)C)c1cc(C)ccc1N1CCN(CC1)C(=O)[C@H](C)Cc1ccc(Cl)cc1 |r|
BDBM50224183 CNCCC(=O)N[C@@H](C(C)C)c1cc(C)ccc1N1CCN(CC1)C(=O)[C@H](C)Cc1ccc(Cl)cc1 |r|
BDBM50224185 CNCC(=O)N[C@@H](C(C)C)c1cc(C)ccc1N1CCN(CC1)C(=O)[C@H](C)Cc1ccc(Cl)cc1F |r|
BDBM50224648 CC(C)[C@H](N)c1cc(C)ccc1N1CCN(CC1)C(=O)[C@@H]1CN(C[C@H]1c1ccc(Cl)cc1)C1CCOCC1
BDBM50224653 CC(C)[C@H](N)c1cc(C)ccc1N1CCN(CC1)C(=O)[C@H]1CN(C[C@@H]1c1ccc(Cl)cc1)C1CCOCC1
BDBM50225589 COc1ccc(CNCC2(CCCCC2)N2CCN(CC2)C(=O)[C@H]2CN(C[C@@H]2c2ccc(Cl)cc2)C(C)C)cc1F
BDBM50226629 CC(C)C[C@H](NC(=O)CCN(C)C)c1cc(Cl)ccc1N1CCN(CC1)C(=O)[C@H](C)Cc1ccc(Cl)cc1
BDBM50226631 CC(C)C[C@H](NC(=O)CCN(C)C)c1cc(C)ccc1N1CCN(CC1)C(=O)[C@H](C)Cc1ccc(Cl)cc1
BDBM50226633 CC(C)C[C@@H](NC(=O)CCN(C)C)c1ccc(C)nc1N1CCN(CC1)C(=O)[C@H](C)Cc1ccc(Cl)cc1Cl
BDBM50230813 NC(=N)NCCC[C@@H]1NC(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)[C@@H]2CCCN2C(=O)C=CC(=O)NCCCC[C@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC1=O)C(N)=O |w:33.35|
BDBM50230814 NC(N)=NCCC[C@@H]1NC(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)[C@@H]2CCCN2C(=O)c2ccccc2C(=O)NCCCC[C@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC1=O)C(N)=O |wU:26.32,50.54,wD:7.6,11.11,46.70,(7.14,-23.43,;5.81,-22.67,;4.47,-23.45,;5.8,-21.13,;4.46,-20.37,;4.46,-18.83,;3.12,-18.06,;3.11,-16.52,;1.78,-15.76,;.44,-16.53,;.45,-18.07,;-.89,-15.77,;-.9,-14.23,;-2.24,-13.46,;-2.24,-11.91,;-3.58,-11.15,;-4.91,-11.93,;-6.25,-11.16,;-7.57,-11.93,;-7.58,-13.48,;-6.25,-14.25,;-4.91,-13.47,;-3.57,-14.24,;-2.22,-16.55,;-2.24,-18.07,;-.9,-18.86,;-3.57,-18.84,;-4.98,-18.22,;-6.01,-19.36,;-5.24,-20.7,;-3.73,-20.38,;-2.59,-21.41,;-1.13,-20.94,;-2.91,-22.92,;-4.38,-23.39,;-4.7,-24.89,;-3.55,-25.93,;-2.08,-25.44,;-1.77,-23.94,;-.3,-23.46,;.01,-21.95,;.84,-24.49,;13,-24.43,;11.14,-22.65,;11.13,-21.11,;9.8,-20.34,;9.79,-18.8,;8.45,-18.04,;8.45,-16.5,;9.78,-15.72,;7.11,-15.73,;7.1,-14.19,;8.43,-13.42,;9.84,-14.03,;10.86,-12.88,;10.08,-11.56,;10.55,-10.11,;9.53,-8.97,;8.02,-9.3,;7.56,-10.75,;8.58,-11.88,;5.78,-16.51,;4.44,-15.75,;4.44,-14.21,;11.12,-18.03,;11.11,-16.49,;12.46,-18.79,)|
BDBM50230815 NC(N)=NCCC[C@@H]1NC(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)c2cccc(n2)C(=O)NCCCC[C@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC1=O)C(N)=O |wU:43.46,7.6,wD:11.11,39.62,(2.86,-14.47,;1.52,-15.23,;.19,-14.47,;1.52,-16.77,;.19,-17.55,;.19,-19.09,;-1.15,-19.86,;-1.15,-21.4,;-2.49,-22.17,;-3.82,-21.4,;-3.82,-19.86,;-5.16,-22.17,;-6.49,-21.4,;-6.49,-19.86,;-5.15,-19.1,;-5.15,-17.56,;-6.48,-16.78,;-6.48,-15.24,;-7.83,-14.46,;-9.17,-15.25,;-9.16,-16.8,;-7.82,-17.56,;-7.81,-19.1,;-5.16,-23.71,;-6.49,-24.48,;-7.82,-23.71,;-6.49,-26.02,;-5.16,-26.78,;-5.16,-28.32,;-6.49,-29.1,;-7.83,-28.33,;-7.83,-26.79,;-9,-29.08,;-10.69,-29.1,;-5.12,-31.4,;-3.8,-30.63,;-2.47,-31.4,;-1.14,-30.63,;-1.14,-29.1,;.19,-28.34,;.19,-26.79,;1.52,-26.02,;2.86,-26.79,;1.52,-24.48,;2.86,-23.71,;4.18,-24.48,;4.36,-26.01,;5.87,-26.33,;6.63,-25,;8.13,-24.68,;8.61,-23.22,;7.58,-22.08,;6.08,-22.4,;5.6,-23.85,;.19,-23.71,;.19,-22.17,;1.52,-21.4,;1.51,-29.1,;2.84,-28.34,;1.51,-30.63,)|
BDBM50230816 N[C@H]1CCCCC(=O)CCC(=O)NCCCC[C@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](Cc2ccc3ccccc3c2)NC1=O)C(N)=O |wU:17.65,35.37,21.21,wD:1.0,46.48,(-9.09,-7.87,;-7.76,-7.1,;-6.44,-7.87,;-6.44,-9.41,;-7.76,-10.17,;-7.76,-11.71,;-6.44,-12.48,;-5.11,-11.71,;-6.44,-14.01,;-5.11,-14.78,;-3.77,-14.01,;-3.77,-12.48,;.25,-14.81,;1.58,-14.04,;1.58,-12.5,;.25,-11.73,;.25,-10.19,;-1.08,-9.43,;-1.08,-7.89,;.26,-7.11,;1.6,-7.89,;.26,-5.56,;1.6,-4.79,;2.93,-5.56,;3.11,-7.09,;4.62,-7.41,;5.38,-6.08,;6.89,-5.76,;7.37,-4.3,;6.34,-3.16,;4.84,-3.48,;4.35,-4.93,;-1.08,-4.79,;-1.08,-3.25,;.26,-2.47,;-2.41,-2.47,;-2.41,-.93,;-1.08,-.16,;-1.08,1.39,;.26,2.17,;.26,3.71,;1.6,4.47,;-1.08,4.47,;-3.75,-3.25,;-5.1,-2.47,;-5.1,-.93,;-6.44,-3.25,;-7.76,-2.47,;-7.76,-.93,;-6.43,-.16,;-6.43,1.38,;-7.75,2.16,;-7.77,3.72,;-9.14,4.48,;-10.49,3.68,;-10.47,2.12,;-9.1,1.35,;-9.1,-.17,;-6.44,-4.79,;-7.76,-5.56,;-9.09,-4.79,;-2.4,-10.19,;-2.4,-11.73,;-3.74,-9.43,)|
BDBM50230818 NC(N)=NCCC[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)c2cccc(n2)C(=O)NCCCC[C@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC1=O)C(N)=O |wU:7.6,39.41,wD:11.11,35.57,(25.77,6.84,;24.43,6.08,;23.09,6.84,;24.43,4.53,;23.09,3.76,;23.09,2.22,;21.76,1.45,;21.76,-.09,;20.42,-.87,;19.08,-.09,;19.08,1.45,;17.75,-.87,;16.42,-.09,;16.42,1.45,;17.75,2.21,;17.75,3.75,;16.42,4.53,;15.08,3.74,;15.09,2.21,;17.75,-2.41,;16.42,-3.18,;15.08,-2.41,;16.42,-4.72,;17.74,-5.49,;17.75,-7.03,;16.41,-7.8,;15.07,-7.03,;15.08,-5.49,;13.9,-7.78,;12.21,-7.8,;17.78,-10.11,;19.11,-9.34,;20.44,-10.11,;21.77,-9.34,;21.77,-7.81,;23.09,-7.04,;23.09,-5.5,;24.43,-4.72,;25.77,-5.5,;24.43,-3.18,;25.77,-2.41,;27.1,-3.18,;27.27,-4.71,;28.78,-5.03,;29.54,-3.7,;31.05,-3.38,;31.52,-1.92,;30.5,-.78,;29,-1.09,;28.52,-2.55,;23.09,-2.41,;23.09,-.87,;24.43,-.09,;24.42,-7.81,;25.75,-7.04,;24.42,-9.34,)|
BDBM50230819 NC(N)=NCCC[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H]2CCCN2C(=O)CCCNCCCC[C@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC1=O)C(N)=O |wU:22.27,41.43,7.6,11.11,wD:37.59,(33.9,-17.56,;32.57,-18.34,;31.24,-17.58,;32.58,-19.89,;31.24,-20.66,;31.25,-22.2,;29.91,-22.97,;29.92,-24.51,;28.59,-25.29,;27.26,-24.52,;27.25,-22.98,;25.92,-25.29,;25.93,-26.84,;27.27,-27.59,;27.22,-28.96,;28.6,-29.9,;30.01,-29.34,;29.92,-27.58,;28.6,-26.82,;24.59,-24.53,;23.46,-25.58,;23.81,-27.07,;22,-25.12,;21.5,-23.67,;19.96,-23.7,;19.5,-25.16,;20.76,-26.05,;20.77,-27.81,;19.63,-28.94,;24.23,-27.81,;25.82,-29.74,;25.8,-31.34,;27.18,-32.16,;28.58,-31.37,;29.89,-32.16,;31.23,-31.4,;31.25,-29.87,;32.58,-29.12,;32.59,-27.58,;33.92,-26.81,;35.26,-27.57,;33.92,-25.26,;35.25,-24.49,;36.59,-25.26,;36.76,-26.78,;38.26,-27.1,;39.02,-25.76,;40.51,-25.44,;41,-23.98,;39.95,-22.85,;38.46,-23.17,;38,-24.63,;32.58,-24.51,;31.26,-25.28,;31.27,-26.82,;33.89,-29.9,;35.24,-29.14,;33.88,-31.43,)|
BDBM50230820 NC(N)=NCCC[C@@H]1NC(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)c2nccnc2C(=O)NCCCC[C@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC1=O)C(N)=O |wU:43.46,7.6,wD:11.11,39.62,(1.05,-35.53,;-.28,-36.3,;-1.62,-35.53,;-.28,-37.84,;-1.62,-38.61,;-1.62,-40.15,;-2.95,-40.92,;-2.95,-42.46,;-4.29,-43.23,;-5.62,-42.46,;-5.62,-40.92,;-6.96,-43.23,;-8.29,-42.46,;-8.29,-40.92,;-6.95,-40.16,;-6.95,-38.62,;-8.28,-37.85,;-8.29,-36.3,;-9.65,-35.53,;-10.99,-36.33,;-10.97,-37.88,;-9.62,-38.64,;-9.62,-40.16,;-6.96,-44.78,;-8.29,-45.54,;-9.62,-44.78,;-8.29,-47.08,;-9.63,-47.85,;-9.63,-49.39,;-8.29,-50.16,;-6.96,-49.38,;-6.97,-47.85,;-5.64,-47.08,;-5.64,-45.55,;-4.31,-47.84,;-4.31,-49.38,;-5.64,-50.14,;-2.95,-51.69,;-2.98,-50.14,;-1.62,-49.4,;-1.62,-47.86,;-.28,-47.08,;1.05,-47.86,;-.28,-45.54,;1.05,-44.78,;2.38,-45.54,;2.55,-47.07,;4.06,-47.39,;4.82,-46.06,;6.32,-45.74,;6.8,-44.28,;5.77,-43.14,;4.27,-43.46,;3.79,-44.91,;-1.62,-44.78,;-1.62,-43.23,;-.28,-42.46,;-.29,-50.16,;1.03,-49.4,;-.29,-51.69,)|
BDBM50230821 NC(N)=NCCC[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)c2nccnc2C(=O)NCCCC[C@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC1=O)C(N)=O |wU:7.6,39.41,wD:11.11,35.57,(23.78,-12.89,;22.44,-13.66,;21.11,-12.89,;22.44,-15.2,;21.11,-15.97,;21.11,-17.51,;19.77,-18.28,;19.77,-19.82,;18.43,-20.6,;17.1,-19.82,;17.1,-18.28,;15.76,-20.6,;14.43,-19.82,;14.43,-18.28,;15.77,-17.52,;15.77,-15.98,;14.44,-15.21,;13.1,-15.99,;13.11,-17.52,;15.76,-22.14,;14.43,-22.9,;13.1,-22.14,;14.43,-24.44,;13.09,-25.21,;13.09,-26.75,;14.43,-27.52,;15.76,-26.75,;15.76,-25.21,;17.08,-24.44,;17.08,-22.91,;18.41,-25.21,;18.41,-26.74,;17.09,-27.51,;19.78,-29.06,;19.74,-27.5,;21.11,-26.76,;21.11,-25.22,;22.44,-24.44,;23.78,-25.22,;22.44,-22.9,;23.78,-22.14,;25.1,-22.9,;25.28,-24.43,;26.79,-24.75,;27.55,-23.43,;29.05,-23.1,;29.53,-21.64,;28.5,-20.5,;27,-20.82,;26.52,-22.28,;21.11,-22.14,;21.11,-20.6,;22.44,-19.82,;22.43,-27.53,;23.76,-26.76,;22.43,-29.06,)|
BDBM50230822 NC(N)=NCCC[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H]2CCCN2C(=O)C=CC(=O)NCCCC[C@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC1=O)C(N)=O |w:29.30,wU:22.27,42.44,7.6,11.11,wD:38.60,(29.44,-37.07,;28.12,-37.86,;26.79,-37.09,;28.13,-39.4,;26.79,-40.17,;26.8,-41.72,;25.46,-42.49,;25.47,-44.03,;24.14,-44.81,;22.8,-44.04,;22.79,-42.49,;21.46,-44.81,;21.47,-46.36,;22.81,-47.12,;22.76,-48.48,;24.14,-49.43,;25.55,-48.86,;25.47,-47.1,;24.15,-46.35,;20.13,-44.06,;19,-45.1,;19.34,-46.59,;17.53,-44.65,;17.02,-43.18,;15.48,-43.21,;15.02,-44.69,;16.3,-45.57,;16.3,-47.34,;17.83,-48.21,;14.77,-48.22,;14.77,-49.99,;16.31,-50.86,;16.31,-52.63,;22.72,-51.69,;24.12,-50.9,;25.44,-51.69,;26.78,-50.93,;26.8,-49.39,;28.12,-48.65,;28.14,-47.1,;29.47,-46.33,;30.81,-47.09,;29.46,-44.78,;30.8,-44.01,;32.14,-44.79,;32.32,-46.31,;33.82,-46.62,;34.58,-45.29,;36.07,-44.96,;36.56,-43.5,;35.51,-42.37,;34.02,-42.69,;33.55,-44.15,;28.13,-44.03,;26.81,-44.79,;26.82,-46.35,;29.44,-49.42,;30.78,-48.68,;29.43,-50.97,)|
BDBM50230823 N[C@H]1CCCCC(=O)CCC(=O)NCCCC[C@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](Cc2ccccc2)NC1=O)C(N)=O |wU:21.21,17.60,35.37,wD:46.48,1.0,(12.38,-45.7,;13.72,-44.93,;15.05,-45.7,;15.05,-47.24,;13.72,-48.01,;13.72,-49.55,;15.05,-50.32,;16.38,-49.55,;15.05,-51.85,;16.38,-52.62,;17.71,-51.85,;17.71,-50.32,;21.74,-52.65,;23.07,-51.88,;23.07,-50.34,;21.74,-49.57,;21.74,-48.03,;20.41,-47.27,;20.41,-45.72,;21.75,-44.94,;23.09,-45.72,;21.75,-43.39,;23.09,-42.63,;24.42,-43.39,;24.6,-44.93,;26.11,-45.25,;26.87,-43.92,;28.38,-43.6,;28.86,-42.13,;27.83,-40.99,;26.33,-41.31,;25.84,-42.76,;20.41,-42.63,;20.41,-41.08,;21.75,-40.3,;19.07,-40.3,;19.07,-38.76,;20.41,-37.99,;20.41,-36.44,;21.75,-35.66,;21.75,-34.12,;23.09,-33.35,;20.41,-33.35,;17.73,-41.08,;16.39,-40.3,;16.39,-38.76,;15.05,-41.08,;13.72,-40.3,;13.72,-38.76,;15.05,-37.99,;15.05,-36.45,;13.72,-35.67,;12.38,-36.46,;12.38,-38,;15.05,-42.63,;13.72,-43.39,;12.38,-42.63,;19.08,-48.03,;19.08,-49.57,;17.75,-47.27,)|
BDBM50230824 NC(=N)NCCC[C@@H]1NC(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)[C@@H]2CCCN2C(=O)c2ccccc2C(=O)CCCNCCCC[C@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC1=O)C(N)=O
BDBM50230826 NC(N)=NCCC[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H]2CCCN2C(=O)c2ccccc2C(=O)NCCCC[C@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC1=O)C(N)=O |wU:46.49,7.6,11.11,22.27,wD:42.65,(33.84,5.13,;32.52,4.36,;31.18,5.12,;32.52,2.81,;31.18,2.04,;31.19,.49,;29.85,-.28,;29.86,-1.82,;28.53,-2.6,;27.19,-1.83,;27.19,-.28,;25.86,-2.61,;25.87,-4.15,;27.21,-4.91,;27.2,-6.45,;28.54,-7.22,;29.95,-6.65,;29.86,-4.89,;28.54,-4.14,;24.53,-1.84,;23.47,-2.97,;23.92,-4.44,;21.98,-2.62,;21.37,-1.2,;19.83,-1.34,;19.49,-2.84,;20.81,-3.62,;20.95,-5.16,;22.34,-5.81,;19.69,-6.04,;18.3,-5.39,;17.03,-6.27,;17.17,-7.8,;18.57,-8.45,;19.82,-7.57,;21.4,-8.15,;21.36,-9.74,;26.99,-9.56,;28.51,-8.69,;29.83,-9.48,;31.17,-8.72,;31.19,-7.19,;32.53,-6.43,;32.54,-4.89,;33.87,-4.12,;35.22,-4.88,;33.87,-2.58,;35.2,-1.8,;36.54,-2.57,;36.72,-4.1,;38.22,-4.41,;38.97,-3.07,;40.47,-2.76,;40.95,-1.29,;39.91,-.16,;38.42,-.48,;37.95,-1.94,;32.53,-1.81,;31.2,-2.59,;31.21,-4.14,;33.84,-7.21,;35.19,-6.46,;33.83,-8.75,)|
BDBM50230827 N[C@H]1CCC(=O)NCCCC[C@H](NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](Cc2cnc[nH]2)NC1=O)C(N)=O |wU:15.15,11.70,1.0,wD:55.59,29.31,40.42,(27.17,-1.13,;27.07,-2.65,;28.33,-3.52,;29.72,-2.86,;30.99,-3.74,;30.88,-5.27,;34.1,-3.27,;34.1,-4.94,;32.82,-5.79,;32.91,-7.32,;31.62,-8.17,;31.71,-9.71,;30.43,-10.56,;29.05,-9.87,;28.96,-8.33,;27.77,-10.72,;27.85,-12.26,;29.23,-12.95,;30.52,-12.09,;31.55,-13.24,;31.01,-14.69,;31.57,-16.11,;30.62,-17.3,;29.09,-17.08,;28.54,-15.65,;29.5,-14.45,;26.39,-10.03,;25.1,-10.87,;25.19,-12.41,;23.31,-10.55,;22.46,-11.84,;23.15,-13.22,;22.31,-14.51,;22.98,-15.89,;22.14,-17.18,;22.82,-18.57,;20.6,-17.1,;23.48,-9.02,;22.63,-7.74,;24.03,-7.12,;21.38,-6.85,;19.97,-7.47,;19.82,-9.01,;21.06,-9.91,;20.91,-11.42,;19.5,-12.06,;19.36,-13.58,;17.96,-14.22,;16.7,-13.32,;16.85,-11.79,;18.26,-11.15,;18.41,-9.62,;21.5,-5.31,;22.89,-4.64,;24.16,-5.51,;23.01,-3.11,;21.74,-2.23,;20.35,-2.9,;20.06,-4.41,;18.55,-4.61,;17.87,-3.22,;18.99,-2.17,;24.4,-2.45,;25.68,-3.32,;25.55,-4.85,;33.09,-10.4,;33.18,-11.94,;34.38,-9.55,)|
BDBM50410264 CCCCN(CC(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@H](Cc1ccccc1)C(=O)N(CCCN=C(N)N)CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(N)=O)C(C)=O |wU:44.45,22.22,13.13,(26.98,-15.89,;25.8,-16.88,;24.35,-16.35,;23.17,-17.33,;21.72,-16.8,;20.54,-17.79,;19.1,-17.26,;18.83,-15.74,;17.91,-18.24,;16.47,-17.71,;15.28,-18.7,;15.55,-20.22,;13.84,-18.17,;12.66,-19.16,;12.92,-20.67,;14.36,-21.2,;14.63,-22.72,;16.07,-23.25,;16.34,-24.77,;11.21,-18.62,;11.89,-17.24,;10.03,-19.61,;8.58,-19.08,;8.32,-17.56,;9.5,-16.58,;9.24,-15.06,;10.42,-14.07,;11.87,-14.6,;12.13,-16.12,;10.95,-17.11,;7.4,-20.07,;7.66,-21.58,;5.95,-19.53,;5.69,-18.02,;6.87,-17.03,;6.61,-15.51,;5.17,-14.98,;3.98,-15.97,;2.54,-15.44,;4.25,-17.49,;4.77,-20.52,;3.33,-19.99,;3.06,-18.47,;2.14,-20.98,;.7,-20.45,;-.48,-21.43,;-1.93,-20.9,;-2.35,-19.42,;-3.89,-19.36,;-4.42,-20.81,;-5.85,-21.38,;-6.07,-22.9,;-4.86,-23.85,;-3.43,-23.28,;-3.21,-21.76,;.43,-18.93,;1.62,-17.94,;-1.01,-18.4,;-1.27,-16.88,;-2.72,-16.35,;-2.98,-14.83,;-3.9,-17.33,;21.46,-15.29,;20.02,-14.75,;22.64,-14.3,)|
BDBM50027084 CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCC[C@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2cnc[nH]2)NC1=O)C(N)=O |r|
BDBM50114079 CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCCC[C@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]cn2)NC1=O)C(N)=O |r|
BDBM50245413 CC(C)CC(=O)c1ccccc1N1CCN(CC1)C(=O)[C@@H](Cc1ccc(Cl)cc1Cl)NC(=O)CCN |r|
BDBM50245166 CCC(O)(CC)c1ccccc1N1CCN(CC1)C(=O)[C@@H](Cc1ccc(Cl)cc1Cl)NC(=O)CN(C)C |r|
BDBM50245484 CC(C)CC(O)c1ccccc1N1CCN(CC1)C(=O)[C@@H](Cc1ccc(Cl)cc1Cl)NC(=O)CCN |r|
BDBM50245486 CNCC(=O)N[C@H](Cc1ccc(Cl)cc1Cl)C(=O)N1CCN(CC1)c1ccccc1C(O)CC(C)C |r|
BDBM50245765 CC(C)CC(O)c1ccccc1N1CCN(CC1)C(=O)[C@@H](Cc1ccc(Cl)cc1Cl)NC(=O)CN(C)C |r|
BDBM50261195 CC(C)[C@H](NC(=O)CCN(C)C)c1cccc(F)c1N1CCN(CC1)C(=O)[C@H](C)Cc1ccc(Cl)cc1 |r|
BDBM50261197 CNCC(=O)N[C@@H](C(C)C)c1cc(Cl)ccc1N1CCN(CC1)C(=O)[C@H](C)Cc1ccc(Cl)cc1 |r|
BDBM50261199 CC(C)[C@H](NC(=O)C1CN(C)C1)c1cc(Cl)ccc1N1CCN(CC1)C(=O)[C@H](C)Cc1ccc(Cl)cc1 |r|
BDBM50261226 CNCC(=O)N[C@@H](C(C)C)c1cccc(F)c1N1CCN(CC1)C(=O)[C@H](C)Cc1ccc(Cl)cc1 |r|
BDBM50261227 CNCC(=O)N[C@@H](C(C)C)c1cccc(F)c1N1CCN(CC1)C(=O)[C@H](C)Cc1ccc(Cl)cc1OC |r|
BDBM50261228 CNCC(=O)N[C@@H](C(C)C)c1cc(Cl)ccc1N1CCN(CC1)C(=O)[C@H](C)Cc1ccc(Cl)cc1OC |r|
BDBM50261229 COc1cc(Cl)ccc1C[C@@H](C)C(=O)N1CCN(CC1)c1ccc(Cl)cc1[C@@H](NC(=O)[C@@H](C)N)C(C)C |r|
BDBM50261230 CC(C)[C@H](NC(=O)CCN(C)C)c1cc(Cl)ccc1N1CCN(CC1)C(=O)[C@H](C)Cc1ccc(Cl)cc1 |r|
BDBM50261670 NC([NH-])=[NH+]CCC[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)c2cc(ccc2SC[C@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC1=O)C(N)=O)[N+]([O-])=O |r,w:3.3|
BDBM50261671 N\C([NH-])=[NH+]/CCCC1NC(=O)C(Cc2ccccc2)NC(=O)C2(Cc3ccccc3C2)NC(=O)c2cc(ccc2SCC(NC(=O)C(Cc2c[nH]c3ccccc23)NC1=O)C(N)=O)[N+]([O-])=O
BDBM50261673 N\C([NH-])=[NH+]/CCCC1NC(=O)C(Cc2ccccc2)NC(=O)C(CC2CCCCC2)NC(=O)c2cc(ccc2SCC(NC(=O)C(Cc2c[nH]c3ccccc23)NC1=O)C(N)=O)[N+]([O-])=O
BDBM50261676 NC([NH-])=[NH+]CCC[C@@H]1NC(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)c2cc(ccc2SC[C@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC1=O)C(N)=O)[N+]([O-])=O |r,w:3.3|
BDBM50261677 NC([NH-])=[NH+]CCC[C@@H]1NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)c2cc(ccc2SC[C@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC1=O)C(N)=O)[N+]([O-])=O |r,w:3.3|
BDBM50261678 NC([NH-])=[NH+]CCC[C@@H]1NC(=O)[C@H](Cc2ccc(N)cc2)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)c2cc(ccc2SC[C@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC1=O)C(N)=O)[N+]([O-])=O |r,w:3.3|
BDBM50261679 NCCCC[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)c2cc(ccc2SC[C@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC1=O)C(N)=O)[N+]([O-])=O |r|
BDBM50261680 NC([NH-])=[NH+]CCC[C@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)c2cc(ccc2SC[C@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC1=O)C(N)=O)[N+]([O-])=O |r,w:3.3|
BDBM50261681 NC([NH-])=[NH+]CCC[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)c2cc(ccc2SC[C@H](NC(=O)[C@@H](Cc2ccc3ccccc3c2)NC1=O)C(N)=O)[N+]([O-])=O |r,w:3.3|
BDBM50261682 NC([NH-])=[NH+]CCC[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)c2cc(ccc2SC[C@H](NC(=O)[C@H](Cc2ccc3ccccc3c2)NC1=O)C(N)=O)[N+]([O-])=O |r,w:3.3|
BDBM50245511 CC(C)CC(N)c1ccccc1N1CCN(CC1)C(=O)[C@@H](Cc1ccc(Cl)cc1Cl)NC(=O)CCN |r|
BDBM50253658 CNC(=O)[C@H](Cc1ccc2ccccc2c1)N1CCN([C@@H](CCN(C)C)C1=O)C(=O)[C@H](N)Cc1ccc(F)cc1 |r|
BDBM50253659 CNC(=O)[C@H](Cc1ccc2ccccc2c1)N1CCN([C@@H](CCNc2ccccn2)C1=O)C(=O)[C@H](N)Cc1ccc(F)cc1 |r|
BDBM50253660 [#6]-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccc2ccccc2c1)-[#7]-1-[#6]-[#6]-[#7](-[#6@@H](-[#6]-[#6]=[#7]\[#7]=[#6](\[#7])-[#7])-[#6]-1=O)-[#6](=O)-[#6@H](-[#7])-[#6]-c1ccc(F)cc1 |r,w:22.23|
BDBM50253661 CNC(=O)[C@H](Cc1ccc2ccccc2c1)N1CCN([C@@H](CC=C)C1=O)C(=O)[C@H](N)Cc1ccc(F)cc1 |r|
BDBM50253695 CCC[C@@H]1N(CCN([C@@H](Cc2ccc3ccccc3c2)C(=O)NC)C1=O)C(=O)[C@H](N)Cc1ccc(F)cc1 |r|
BDBM50253696 CC[C@@H]1N(CCN([C@@H](Cc2ccc3ccccc3c2)C(=O)NC)C1=O)C(=O)[C@H](N)Cc1ccc(F)cc1 |r|
BDBM50253697 CNC(=O)[C@H](Cc1ccc2ccccc2c1)N1CCN([C@@H](C)C1=O)C(=O)[C@H](N)Cc1ccc(F)cc1 |r|
BDBM50253732 CNC(=O)[C@H](Cc1ccc2ccccc2c1)N1CCN([C@@H](C(C)C)C1=O)C(=O)[C@H](N)Cc1ccc(F)cc1 |r|
BDBM50253733 CCC[C@@H]1N(CCN([C@@H](Cc2ccc3ccccc3c2)C(=O)NC)C1=O)C(=O)[C@@H](Cc1ccc(F)cc1)NC(C)=O |r|
BDBM50253734 CCC[C@@H]1N(CCN([C@@H](Cc2ccc3ccccc3c2)C(=O)NC)C1=O)C(=O)[C@@H](Cc1ccc(F)cc1)NC(=O)C(C)(C)C |r|
BDBM50253735 CCC[C@@H]1N(CCN([C@@H](Cc2ccc3ccccc3c2)C(=O)NC)C1=O)C(=O)[C@@H](Cc1ccc(F)cc1)NC(=O)COC |r|
BDBM50253736 CCC[C@@H]1N(CCN([C@@H](Cc2ccc3ccccc3c2)C(=O)NC)C1=O)C(=O)[C@@H](Cc1ccc(F)cc1)NC(=O)C1CCC(=O)N1 |r|
BDBM50253737 CCC[C@@H]1N(CCN([C@@H](Cc2ccc3ccccc3c2)C(=O)NC)C1=O)C(=O)[C@@H](Cc1ccc(F)cc1)NC(=O)c1cscn1 |r|
BDBM50253738 CCC[C@@H]1N(CCN([C@@H](Cc2ccc3ccccc3c2)C(=O)NC)C1=O)C(=O)[C@@H](Cc1ccc(F)cc1)NC(=O)c1ccncc1 |r|
BDBM50253739 CCC[C@@H]1N(CCN([C@@H](Cc2ccc3ccccc3c2)C(=O)NC)C1=O)C(=O)[C@@H](Cc1ccc(F)cc1)NC(=O)c1cccnc1 |r|
BDBM50253740 CCC[C@@H]1N(CCN([C@@H](Cc2ccc3ccccc3c2)C(=O)NC)C1=O)C(=O)[C@@H](Cc1ccc(F)cc1)NC(=O)c1ccccn1 |r|
BDBM50253741 CCC[C@@H]1N(CCN([C@@H](Cc2ccc3ccccc3c2)C(=O)NC)C1=O)C(=O)[C@@H](Cc1ccc(F)cc1)NC(=O)C(C)(C)N |r|
BDBM50253742 CCC[C@@H]1N(CCN([C@@H](Cc2ccc3ccccc3c2)C(=O)NC)C1=O)C(=O)[C@@H](Cc1ccc(F)cc1)NC(=O)C1(N)CC1 |r|
BDBM50253743 CCC[C@@H]1N(CCN([C@@H](Cc2ccc3ccccc3c2)C(=O)NC)C1=O)C(=O)[C@@H](Cc1ccc(F)cc1)NC(=O)C1(N)CCC1 |r|
BDBM50253744 CCC[C@@H]1N(CCN([C@@H](Cc2ccc3ccccc3c2)C(=O)NC)C1=O)C(=O)[C@@H](Cc1ccc(F)cc1)NC(=O)C1(N)CCCC1 |r|
BDBM50253745 CCC[C@@H]1N(CCN([C@@H](Cc2ccc3ccccc3c2)C(=O)NC)C1=O)C(=O)[C@@H](Cc1ccc(F)cc1)NC(=O)CNC |r|
BDBM50253746 CCC[C@@H]1N(CCN([C@@H](Cc2ccc3ccccc3c2)C(=O)NC)C1=O)C(=O)[C@@H](Cc1ccc(F)cc1)NC(=O)[C@H](C)NC |r|
BDBM50253747 CCC[C@@H]1N(CCN([C@@H](Cc2ccc3ccccc3c2)C(=O)NC)C1=O)C(=O)[C@@H](Cc1ccc(F)cc1)NC(=O)[C@@H]1CCCN1 |r|
BDBM50253748 CCC[C@@H]1N(CCN([C@@H](Cc2ccc3ccccc3c2)C(=O)NC)C1=O)C(=O)[C@@H](Cc1ccc(F)cc1)NC(=O)[C@H]1CCCCN1 |r|
BDBM50253749 CCC[C@@H]1N(CCN([C@@H](Cc2ccc3ccccc3c2)C(=O)NC)C1=O)C(=O)[C@@H](Cc1ccc(F)cc1)NC(=O)C1CCNCC1 |r|
BDBM50253750 CCC[C@@H]1N(CCN([C@@H](Cc2ccc3ccccc3c2)C(=O)NC)C1=O)C(=O)[C@@H](Cc1ccc(F)cc1)NC(=O)[C@@H]1Cc2ccccc2CN1 |r|
BDBM50268792 CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCC[C@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2cnc[nH]2)NC1=O)C(N)=O |r|
BDBM50268793 CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCC[C@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H]2C[C@@H](CN2C(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2cnc[nH]2)NC1=O)N=C(N)N)C(N)=O |r,wU:46.49,21.76,12.11,41.72,4.4,39.45,wD:57.61,25.25,(17.82,-24,;16.46,-23.28,;16.41,-21.74,;15.05,-21.01,;15,-19.47,;16.31,-18.66,;16.26,-17.12,;17.56,-16.31,;14.9,-16.39,;13.64,-18.75,;13.59,-17.21,;12.33,-19.56,;10.98,-18.84,;9.67,-19.65,;9.72,-21.19,;11.08,-21.91,;8.41,-22,;7.05,-21.28,;5.75,-22.09,;4.39,-21.37,;3.08,-22.18,;1.72,-21.45,;1.67,-19.91,;.31,-19.19,;-1,-20,;.26,-17.65,;-1.1,-16.92,;-1.15,-15.39,;.08,-14.44,;-.45,-12.99,;-2,-13.05,;-3.06,-11.95,;-4.55,-12.33,;-4.96,-13.81,;-3.88,-14.9,;-2.41,-14.52,;1.57,-16.84,;2.22,-17.92,;2.54,-19.47,;2.93,-17.56,;3.55,-19.14,;5.08,-19.09,;5.51,-17.61,;4.23,-16.75,;4.18,-15.21,;2.82,-14.48,;5.49,-14.4,;5.44,-12.86,;4.08,-12.13,;4.03,-10.59,;2.68,-9.87,;1.37,-10.68,;1.42,-12.23,;2.78,-12.95,;6.85,-15.12,;8.16,-14.31,;8.11,-12.77,;9.51,-15.03,;10.82,-14.22,;10.78,-12.68,;12,-11.74,;11.49,-10.29,;9.95,-10.33,;9.51,-11.81,;9.57,-16.57,;10.92,-17.3,;12.23,-16.48,;6.03,-20.31,;7.52,-19.93,;8.28,-20.74,;8.13,-18.67,;.41,-22.27,;-.95,-21.54,;.46,-23.81,)|
BDBM50268794 CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCC[C@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H]2C[C@@H](CN2C(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2cnc[nH]2)NC1=O)N=C(N)N)C(N)=O |r,wU:46.49,21.76,12.11,41.72,4.4,wD:57.61,25.25,39.45,(20.33,-40.8,;18.97,-40.08,;18.92,-38.54,;17.56,-37.81,;17.51,-36.27,;18.82,-35.46,;18.77,-33.92,;20.08,-33.11,;17.41,-33.19,;16.15,-35.55,;16.1,-34.01,;14.85,-36.36,;13.49,-35.64,;12.18,-36.45,;12.23,-37.99,;13.59,-38.71,;10.92,-38.8,;9.56,-38.08,;8.26,-38.89,;6.9,-38.17,;5.59,-38.98,;4.23,-38.25,;4.18,-36.71,;2.82,-35.99,;1.52,-36.8,;2.77,-34.45,;1.41,-33.72,;1.36,-32.19,;2.59,-31.24,;2.06,-29.79,;.52,-29.85,;-.55,-28.75,;-2.04,-29.13,;-2.45,-30.61,;-1.37,-31.7,;.1,-31.32,;4.08,-33.64,;4.74,-34.72,;5.06,-36.27,;5.44,-34.36,;6.06,-35.94,;7.6,-35.89,;8.02,-34.41,;6.75,-33.55,;6.7,-32.01,;5.34,-31.28,;8,-31.2,;7.95,-29.66,;6.59,-28.93,;6.55,-27.39,;5.19,-26.67,;3.88,-27.48,;3.94,-29.03,;5.29,-29.75,;9.36,-31.92,;10.67,-31.11,;10.62,-29.57,;12.03,-31.83,;13.33,-31.02,;13.29,-29.48,;14.51,-28.54,;14,-27.09,;12.46,-27.13,;12.02,-28.61,;12.08,-33.37,;13.44,-34.1,;14.74,-33.28,;8.54,-37.11,;10.04,-36.73,;10.8,-37.54,;10.65,-35.47,;2.93,-39.07,;1.57,-38.34,;2.98,-40.61,)|
BDBM50268795 CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCC[C@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H]2C[C@H](CN2C1=O)N=C(N)N)C(N)=O |r,wU:4.4,50.52,63.72,12.11,21.76,wD:25.25,39.41,61.68,(21.05,-10.24,;19.69,-9.52,;19.64,-7.97,;18.28,-7.25,;18.23,-5.71,;19.54,-4.89,;19.48,-3.35,;20.79,-2.54,;18.13,-2.63,;16.87,-4.98,;16.82,-3.44,;15.56,-5.8,;14.2,-5.07,;12.89,-5.89,;12.94,-7.43,;14.3,-8.15,;11.63,-8.24,;10.27,-7.52,;8.96,-8.33,;7.6,-7.6,;6.29,-8.41,;4.93,-7.69,;4.88,-6.15,;3.52,-5.42,;2.21,-6.24,;3.47,-3.88,;2.1,-3.15,;.64,-3.65,;-.62,-2.76,;-1.85,-3.68,;-1.35,-5.15,;-2.08,-6.49,;-1.28,-7.8,;.26,-7.76,;.99,-6.41,;.19,-5.12,;4.78,-3.07,;6.1,-3.3,;7.43,-4.09,;4.73,-1.52,;3.37,-.8,;3.32,.74,;1.96,1.47,;1.91,3.01,;.54,3.73,;.5,5.28,;-.76,2.92,;6.03,-.71,;7.4,-1.43,;7.45,-2.98,;8.71,-.62,;8.66,.92,;7.3,1.65,;7.25,3.18,;5.89,3.91,;4.58,3.1,;4.63,1.55,;5.98,.83,;10.06,-1.35,;11.38,-.54,;11.33,1.01,;12.75,-1.27,;13.83,-.17,;15.32,-.56,;15.32,-2.1,;12.78,-2.79,;14.15,-3.53,;15.45,-2.72,;16.54,.37,;16.34,1.9,;14.92,2.5,;17.57,2.84,;3.63,-8.5,;2.26,-7.78,;3.67,-10.04,)|
BDBM50268796 CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCC[C@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H]2C[C@@H](CN2C1=O)N=C(N)N)C(N)=O |r,wU:4.4,50.52,12.11,21.76,wD:25.25,39.41,61.68,63.72,(20.34,-25.22,;18.98,-24.49,;18.93,-22.95,;17.57,-22.23,;17.52,-20.69,;18.83,-19.87,;18.78,-18.33,;20.08,-17.51,;17.42,-17.6,;16.16,-19.96,;16.11,-18.42,;14.85,-20.77,;13.49,-20.05,;12.18,-20.86,;12.24,-22.4,;13.59,-23.13,;10.92,-23.22,;9.56,-22.49,;8.26,-23.31,;6.89,-22.58,;5.58,-23.39,;4.23,-22.66,;4.17,-21.12,;2.82,-20.4,;1.5,-21.21,;2.76,-18.86,;1.39,-18.12,;-.07,-18.63,;-1.33,-17.73,;-2.56,-18.65,;-2.05,-20.13,;-2.79,-21.47,;-1.99,-22.78,;-.45,-22.73,;.28,-21.39,;-.52,-20.09,;4.07,-18.04,;5.39,-18.27,;6.72,-19.07,;4.02,-16.5,;2.66,-15.78,;2.61,-14.23,;1.25,-13.51,;1.2,-11.97,;-.17,-11.24,;-.21,-9.7,;-1.47,-12.06,;5.33,-15.69,;6.69,-16.41,;6.74,-17.95,;8,-15.6,;7.95,-14.06,;6.59,-13.33,;6.54,-11.79,;5.18,-11.07,;3.87,-11.88,;3.92,-13.43,;5.27,-14.15,;9.36,-16.32,;10.67,-15.52,;10.62,-13.97,;12.04,-16.25,;13.12,-15.14,;14.62,-15.54,;14.61,-17.08,;12.07,-17.77,;13.44,-18.51,;14.75,-17.69,;15.84,-14.61,;15.64,-13.08,;14.21,-12.48,;16.87,-12.14,;2.92,-23.48,;1.55,-22.75,;2.96,-25.02,)|
BDBM50268798 CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCC[C@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](Cc2cnc[nH]2)NC1=O)C(N)=O |r|
BDBM50268799 CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCC[C@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H]2C[C@@H](CN2C(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](Cc2cnc[nH]2)NC1=O)N=C(N)N)C(N)=O |r,wU:46.49,21.81,12.11,4.4,41.77,39.45,wD:61.66,25.25,(17.63,-10.54,;16.26,-9.83,;16.2,-8.29,;14.83,-7.58,;14.77,-6.04,;16.07,-5.21,;16,-3.68,;17.31,-2.85,;14.64,-2.96,;13.4,-5.33,;13.34,-3.79,;12.11,-6.15,;10.74,-5.44,;9.44,-6.27,;9.5,-7.81,;10.87,-8.52,;8.21,-8.64,;6.84,-7.92,;5.54,-8.75,;4.17,-8.03,;2.88,-8.86,;1.51,-8.15,;1.44,-6.61,;.08,-5.89,;-1.22,-6.72,;.01,-4.36,;-1.35,-3.64,;-1.42,-2.1,;-.2,-1.15,;-.74,.29,;-2.29,.23,;-3.36,1.32,;-4.84,.92,;-5.24,-.57,;-4.16,-1.64,;-2.69,-1.26,;1.32,-3.53,;1.98,-4.61,;2.31,-6.15,;2.67,-4.24,;3.31,-5.82,;4.85,-5.75,;5.26,-4.27,;3.98,-3.42,;3.91,-1.88,;2.55,-1.17,;5.21,-1.05,;5.15,.48,;3.78,1.2,;2.49,.37,;1.12,1.07,;1.05,2.62,;-.31,3.33,;-.37,4.87,;.93,5.7,;2.3,4.98,;2.36,3.44,;3.72,2.73,;6.58,-1.77,;7.88,-.94,;7.81,.6,;9.24,-1.65,;10.54,-.82,;10.49,.72,;11.7,1.66,;11.17,3.11,;9.64,3.06,;9.21,1.58,;9.31,-3.19,;10.67,-3.9,;11.98,-3.07,;5.79,-6.95,;7.3,-6.73,;8.06,-7.33,;7.86,-5.31,;.21,-8.97,;-1.16,-8.26,;.27,-10.51,)|
BDBM50268800 CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCC[C@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H]2C[C@H](CN2C(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](Cc2cnc[nH]2)NC1=O)N=C(N)N)C(N)=O |r,wU:46.49,21.81,12.11,4.4,39.45,wD:61.66,25.25,41.77,(17.08,-28.2,;15.72,-27.49,;15.65,-25.95,;14.29,-25.23,;14.22,-23.7,;15.52,-22.87,;15.46,-21.33,;16.76,-20.51,;14.09,-20.62,;12.85,-22.98,;12.79,-21.44,;11.56,-23.81,;10.19,-23.09,;8.89,-23.93,;8.95,-25.47,;10.32,-26.17,;7.66,-26.29,;6.29,-25.58,;4.99,-26.4,;3.62,-25.69,;2.33,-26.52,;.96,-25.8,;.9,-24.26,;-.47,-23.55,;-1.77,-24.38,;-.53,-22.01,;-1.9,-21.3,;-1.97,-19.76,;-.75,-18.81,;-1.29,-17.36,;-2.83,-17.43,;-3.91,-16.34,;-5.39,-16.73,;-5.79,-18.22,;-4.71,-19.3,;-3.24,-18.91,;.77,-21.19,;1.43,-22.26,;1.77,-23.81,;2.13,-21.9,;2.76,-23.47,;4.3,-23.41,;4.72,-21.93,;3.43,-21.07,;3.37,-19.54,;2,-18.82,;4.67,-18.71,;4.6,-17.17,;3.24,-16.46,;1.94,-17.29,;.57,-16.58,;.5,-15.04,;-.85,-14.32,;-.92,-12.79,;.39,-11.96,;1.75,-12.68,;1.81,-14.22,;3.17,-14.92,;6.03,-19.42,;7.33,-18.6,;7.26,-17.05,;8.7,-19.3,;10,-18.48,;9.94,-16.94,;11.15,-15.99,;10.63,-14.55,;9.09,-14.6,;8.66,-16.08,;8.76,-20.84,;10.13,-21.56,;11.43,-20.73,;5.25,-24.61,;6.76,-24.38,;7.52,-24.99,;7.32,-22.97,;-.34,-26.63,;-1.71,-25.91,;-.27,-28.17,)|
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BDBM50268804 CCCC[C@H](NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(C)=O)C(C)C)C(=O)NCC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(N)=O |r,wU:8.8,45.46,59.63,96.101,35.35,77.82,wD:4.4,12.21,63.66,85.90,(2.68,-6.73,;1.36,-7.52,;.01,-6.75,;-1.31,-7.53,;-2.65,-6.78,;-3.99,-7.57,;-3.97,-9.11,;-2.62,-9.86,;-5.3,-9.89,;-5.28,-11.43,;-6.61,-12.22,;-7.94,-11.46,;-6.59,-13.75,;-5.25,-14.51,;-3.92,-13.72,;-3.94,-12.19,;-2.61,-11.4,;-1.26,-12.16,;.06,-11.37,;-1.25,-13.71,;-2.58,-14.49,;-7.92,-14.54,;-7.92,-16.08,;-9.23,-16.86,;-6.56,-16.83,;-6.64,-9.14,;-6.65,-7.59,;-7.95,-9.92,;-2.67,-5.24,;-4.01,-4.49,;-1.35,-4.46,;-1.37,-2.92,;-.03,-2.13,;1.32,-2.89,;-.05,-.59,;1.27,.2,;1.26,1.73,;-.08,2.49,;-.25,4.02,;-1.77,4.33,;-2.52,2.99,;-1.48,1.85,;2.62,-.57,;2.64,-2.11,;3.94,.22,;5.29,-.54,;5.31,-2.09,;6.64,-2.84,;6.66,-4.39,;8,-5.15,;9.32,-4.36,;9.3,-2.82,;7.96,-2.06,;6.65,.17,;7.9,-.73,;6.72,1.71,;5.7,2.87,;6.48,4.19,;7.98,3.86,;8.13,2.32,;9.45,1.54,;9.44,-0,;10.8,2.29,;12.11,1.49,;12.1,-.05,;13.38,-.9,;14.82,-.37,;15.78,-1.58,;14.93,-2.86,;15.31,-4.35,;14.21,-5.43,;12.73,-5.02,;12.34,-3.52,;13.44,-2.45,;13.46,2.25,;13.47,3.79,;14.78,1.46,;16.13,2.22,;16.14,3.76,;17.48,4.52,;18.82,3.75,;17.5,6.06,;17.45,1.44,;17.43,-.1,;18.79,2.2,;20.11,1.4,;20.09,-.14,;21.42,-.92,;21.41,-2.46,;22.74,-3.24,;22.71,-4.78,;21.38,-5.53,;24.05,-5.55,;21.45,2.16,;21.46,3.7,;22.79,1.39,;24.13,2.15,;24.14,3.68,;25.48,4.44,;26.81,3.66,;28.16,4.41,;28.17,5.95,;26.84,6.74,;25.51,5.98,;25.46,1.36,;25.44,-.18,;26.8,2.12,;28.12,1.33,;29.46,2.09,;30.79,1.3,;29.47,3.63,)|
BDBM50268805 CCCC[C@H](NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(C)=O)C(C)C)C(=O)NCC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](Cc1ccccc1)C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(N)=O)N=C(N)N |r,wU:8.8,45.46,59.63,96.101,35.35,77.82,wD:4.4,57.117,12.21,63.66,85.90,(3.89,-26.77,;2.57,-27.55,;1.22,-26.79,;-.1,-27.57,;-1.45,-26.81,;-2.78,-27.6,;-2.76,-29.14,;-1.41,-29.89,;-4.09,-29.92,;-4.07,-31.46,;-5.4,-32.25,;-6.73,-31.49,;-5.38,-33.78,;-4.04,-34.54,;-2.72,-33.75,;-2.73,-32.22,;-1.4,-31.43,;-.06,-32.19,;1.27,-31.4,;-.04,-33.74,;-1.37,-34.52,;-6.71,-34.57,;-6.71,-36.11,;-8.02,-36.89,;-5.35,-36.86,;-5.43,-29.17,;-5.44,-27.63,;-6.74,-29.95,;-1.46,-25.28,;-2.8,-24.52,;-.14,-24.49,;-.16,-22.95,;1.17,-22.16,;2.52,-22.92,;1.16,-20.62,;2.48,-19.84,;2.46,-18.3,;1.13,-17.55,;.96,-16.02,;-.56,-15.71,;-1.31,-17.05,;-.27,-18.18,;3.82,-20.6,;3.85,-22.14,;5.15,-19.82,;6.5,-20.57,;6.51,-22.12,;7.85,-22.87,;7.87,-24.42,;9.21,-25.18,;10.53,-24.39,;10.51,-22.85,;9.17,-22.09,;7.86,-19.86,;9.11,-20.76,;7.93,-18.32,;6.9,-17.17,;7.69,-15.84,;9.19,-16.18,;9.34,-17.71,;10.66,-18.5,;10.65,-20.04,;12,-17.74,;13.32,-18.54,;13.31,-20.08,;14.59,-20.94,;16.03,-20.4,;16.98,-21.61,;16.14,-22.89,;16.51,-24.38,;15.41,-25.47,;13.93,-25.05,;13.55,-23.56,;14.65,-22.48,;14.67,-17.78,;14.68,-16.24,;15.99,-18.57,;17.33,-17.82,;17.34,-16.27,;18.68,-15.52,;20.02,-16.29,;18.7,-13.97,;18.66,-18.59,;18.64,-20.14,;20,-17.84,;21.32,-18.63,;21.3,-20.18,;22.62,-20.95,;22.61,-22.5,;23.94,-23.27,;23.91,-24.81,;22.59,-25.56,;25.26,-25.58,;22.66,-17.88,;22.67,-16.34,;23.99,-18.65,;25.33,-17.89,;25.35,-16.35,;26.69,-15.6,;28.02,-16.38,;29.36,-15.63,;29.38,-14.09,;28.05,-13.3,;26.71,-14.06,;26.66,-18.67,;26.64,-20.22,;28,-17.92,;29.32,-18.7,;30.66,-17.95,;31.99,-18.73,;30.68,-16.41,;7.08,-14.43,;7.99,-13.19,;7.38,-11.78,;9.52,-13.37,)|
BDBM50268806 CCCC[C@H](NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(C)=O)C(C)C)C(=O)NCC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(N)=O |r,wU:12.21,56.58,35.35,81.85,45.46,4.4,100.104,wD:67.69,8.8,89.93,(6.82,-32.01,;5.49,-32.78,;5.49,-34.31,;4.16,-35.09,;4.16,-36.62,;2.82,-37.38,;1.49,-36.61,;1.49,-35.08,;.16,-37.38,;-1.17,-36.62,;-2.5,-37.4,;-2.5,-38.94,;-3.83,-36.63,;-3.83,-35.09,;-2.49,-34.32,;-1.16,-35.09,;.18,-34.32,;.18,-32.78,;1.51,-32,;-1.15,-32.01,;-2.49,-32.78,;-5.18,-37.37,;-6.51,-36.6,;-7.85,-37.37,;-6.51,-35.06,;.16,-38.93,;1.49,-39.69,;-1.18,-39.7,;5.49,-37.39,;5.49,-38.94,;6.83,-36.63,;8.16,-37.4,;9.49,-36.63,;9.49,-35.09,;10.83,-37.4,;12.17,-36.64,;12.17,-35.1,;13.5,-34.33,;14.91,-34.96,;15.95,-33.81,;15.17,-32.48,;13.66,-32.79,;13.5,-37.41,;13.5,-38.95,;14.83,-36.63,;16.17,-37.4,;16.17,-38.95,;17.5,-39.71,;18.84,-38.95,;20.17,-39.72,;20.17,-41.26,;18.83,-42.03,;17.5,-41.26,;17.5,-36.63,;17.5,-35.1,;18.83,-37.4,;20.18,-36.65,;20.18,-35.11,;21.51,-34.34,;21.51,-32.81,;22.84,-32.03,;22.85,-30.49,;21.51,-29.71,;24.18,-29.72,;21.51,-37.42,;21.51,-38.97,;22.84,-36.64,;24.17,-37.41,;24.17,-38.95,;25.5,-39.72,;26.91,-39.1,;27.94,-40.24,;27.17,-41.58,;27.64,-43.04,;26.61,-44.18,;25.1,-43.86,;24.63,-42.39,;25.66,-41.25,;25.5,-36.64,;25.5,-35.1,;26.84,-37.41,;28.17,-36.64,;28.17,-35.11,;29.5,-34.34,;30.83,-35.11,;29.5,-32.8,;29.5,-37.42,;29.5,-38.96,;30.84,-36.64,;32.17,-37.41,;32.17,-38.96,;33.49,-39.72,;33.49,-41.27,;34.82,-42.04,;34.83,-43.58,;33.49,-44.35,;36.16,-44.35,;33.49,-36.64,;33.49,-35.11,;34.83,-37.41,;36.16,-36.64,;36.16,-35.1,;37.5,-34.34,;38.83,-35.11,;40.16,-34.34,;40.17,-32.8,;38.84,-32.03,;37.5,-32.79,;37.5,-37.42,;37.5,-38.95,;38.83,-36.64,;40.16,-37.41,;41.48,-36.64,;42.83,-37.42,;41.48,-35.11,)|
BDBM50314764 CC(=O)NC(C)(C)[C@@H]1CC2(CCN(CC2)C(=O)[C@@H]2CN(C[C@H]2c2ccc(F)cc2F)C(C)(C)C)c2cc(Cl)c(C)cc12 |r|
BDBM50315668 C[C@H]1CN(C[C@@H](C)[C@]1(O)c1ccccc1)C(=O)[C@H]1CN(C[C@@H]1c1ccc(F)cc1F)c1ncccn1 |r|
BDBM50315669 C[C@H]1CN(C[C@@H](C)[C@]1(O)c1ccccc1)C(=O)[C@H]1CN(C[C@@H]1c1ccc(F)cc1F)c1ccncn1 |r|
BDBM50315672 C[C@H]1CN(C[C@@H](C)[C@]1(O)c1ccccn1)C(=O)[C@H]1CN(C[C@@H]1c1ccc(F)cc1F)c1cccnn1 |r|
BDBM50315673 C[C@H]1CN(C[C@@H](C)[C@]1(O)c1ccccc1)C(=O)[C@H]1CN(C[C@@H]1c1ccc(F)cc1F)c1cccnn1 |r|
BDBM50315674 C[C@H]1CN(C[C@@H](C)[C@]1(O)c1ccccc1)C(=O)[C@H]1CN(C[C@@H]1c1ccc(F)cc1F)c1cccnc1 |r|
BDBM50315675 C[C@H]1CN(C[C@@H](C)[C@]1(O)c1ccccc1)C(=O)[C@H]1CN(C[C@@H]1c1ccc(F)cc1F)c1ccccn1 |r|
BDBM50315676 C[C@H]1CN(C[C@@H](C)[C@]1(O)c1ccccc1)C(=O)[C@H]1CN(C[C@@H]1c1ccc(F)cc1F)C1CCOCC1 |r|
BDBM50315677 C[C@H]1CN(C[C@@H](C)[C@]1(O)c1ccccc1)C(=O)[C@H]1CN(C[C@@H]1c1ccc(F)cc1F)C1CCC1 |r|
BDBM50315678 CCCCN1C[C@@H]([C@H](C1)c1ccc(F)cc1F)C(=O)N1C[C@H](C)[C@](O)([C@H](C)C1)c1ccccc1 |r|
BDBM50315679 C[C@H]1CN(C[C@@H](C)[C@]1(O)c1ccccc1)C(=O)[C@H]1CN(C[C@@H]1c1ccc(F)cc1F)C1CC1 |r|
BDBM50315680 C[C@H]1CN(C[C@@H](C)[C@]1(O)c1ccccc1)C(=O)[C@@H]1CNC[C@H]1c1ccc(F)cc1F |r|
BDBM50315681 CC(C)N1C[C@H]([C@@H](C1)c1ccc(F)cc1F)C(=O)N1C[C@H](C)[C@](O)([C@H](C)C1)c1ccccc1 |r|
BDBM50315682 CCN1C[C@H]([C@@H](C1)c1ccc(F)cc1F)C(=O)N1C[C@H](C)[C@](O)([C@H](C)C1)c1cccc(F)c1 |r|
BDBM50315683 C[C@H]1CN(C[C@@H](C)[C@]1(O)c1ccc(F)cc1)C(=O)[C@@H]1CN(C)C[C@H]1c1ccc(F)cc1F |r|
BDBM50315685 CCC[C@]1(O)[C@@H](C)CN(C[C@H]1C)C(=O)[C@@H]1CN(C[C@H]1c1ccc(F)cc1F)C(C)(C)C |r|
BDBM50315686 C[C@H]1CN(C[C@@H](C)[C@]1(O)c1ccccn1)C(=O)[C@@H]1CN(C[C@H]1c1ccc(F)cc1F)C(C)(C)C |r|
BDBM50315687 C[C@H]1CN(C[C@@H](C)[C@]1(O)c1ccc(F)cc1F)C(=O)[C@@H]1CN(C[C@H]1c1ccc(F)cc1F)C(C)(C)C |r|
BDBM50315688 C[C@H]1CN(C[C@@H](C)[C@]1(O)c1c(F)cccc1F)C(=O)[C@@H]1CN(C[C@H]1c1ccc(F)cc1F)C(C)(C)C |r|
BDBM50315689 C[C@H]1CN(C[C@@H](C)[C@]1(O)c1cccc(F)c1)C(=O)[C@@H]1CN(C[C@H]1c1ccc(F)cc1F)C(C)(C)C |r|
BDBM50315691 C[C@H]1CN(C[C@@H](C)[C@]1(O)c1ccc(Cl)cc1)C(=O)[C@@H]1CN(C[C@H]1c1ccc(F)cc1F)C(C)(C)C |r|
BDBM50315692 C[C@H]1CN(C[C@@H](C)[C@]1(O)c1ccccc1)C(=O)[C@@H]1CN(C[C@H]1c1ccc(F)cc1F)C(C)(C)C |r|
BDBM50318666 C[C@H]1Cc2c([nH]c3cc(Cl)c(F)cc23)[C@@]2(N1)C(=O)Nc1ccc(Cl)cc21 |r|
BDBM50323149 CC(C)N(CC(C1CCCCC1)N1CCN(CC1)C(=O)[C@@H]1CN(C[C@H]1c1ccc(F)cc1F)C(C)(C)C)C(=O)c1cccnn1 |r|
BDBM50323150 CC(C)N(CC(C1CCCCC1)N1CCN(CC1)C(=O)[C@@H]1CN(C[C@H]1c1ccc(F)cc1F)C(C)(C)C)S(C)(=O)=O |r|
BDBM50323151 CC(C)N(CC(C1CCCCC1)N1CCN(CC1)C(=O)[C@@H]1CN(C[C@H]1c1ccc(F)cc1F)C(C)(C)C)C(C)=O |r|
BDBM50323158 CC(C)CC(CN(C(C)C)S(C)(=O)=O)N1CCN(CC1)C(=O)[C@@H]1CN(C[C@H]1c1ccc(F)cc1F)C(C)(C)C |r|
BDBM50323159 CC(C)CC(CN(C(C)C)C(C)=O)N1CCN(CC1)C(=O)[C@@H]1CN(C[C@H]1c1ccc(F)cc1F)C(C)(C)C |r|
BDBM50323160 CC(C)N(CC(C1CCCCC1)N1CCN(CC1)C(=O)[C@@H]1CN(C[C@H]1c1ccc(F)cc1F)C(C)(C)C)C(=O)c1cnn(c1)C(C)C |r|
BDBM50323441 Cc1cc2[C@H](OC3(CCN(CC3)C(=O)[C@@H]3CN(C[C@H]3c3ccc(F)cc3F)C3CCOCC3)c2cc1Cl)C(C)(C)C#N |r|
BDBM50340458 C[C@H]1CN(C[C@@H](C)N1)C(=O)N[C@H](Cc1ccc(Cl)cc1)C(=O)N1CCC(CC1)(C1CCCCC1)C(=O)NC(C)(C)C |r|
BDBM50340459 C[C@@H]1CN(C[C@@H](C)N1)C(=O)N[C@H](Cc1ccc(F)cc1)C(=O)N1CCC(CC1)(C1CCCCC1)C(=O)NC(C)(C)C |r|
BDBM50340460 C[C@H]1CN(C[C@H](C)N1)C(=O)N[C@H](Cc1ccc(F)cc1)C(=O)N1CCC(CC1)(C1CCCCC1)C(=O)NC(C)(C)C |r|
BDBM50340461 CC[C@@H]1CN(C[C@@H](CC)N1)C(=O)N[C@H](Cc1ccc(F)cc1)C(=O)N1CCC(CC1)(C1CCCCC1)C(=O)NC(C)(C)C |r|
BDBM50337289 COCC(=O)N[C@H]1Cc2cc3COCOc3c(Cc3ccc(Oc4cccc(CN(CCCN5CCN(CCCN)CC5)C1=O)c4)cc3)c2 |r|
BDBM50337290 COCC(=O)N[C@H]1Cc2ccc(OC)c(Cc3ccc(Oc4cccc(CN(CCCN5CCN(CCCN)CC5)C1=O)c4)cc3)c2 |r|
BDBM50027432 CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCC[C@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](CC2=NC=NC2)NC1=O)C(N)=O |r,c:68,t:66|
BDBM50343650 C[C@@H]1NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCN=C(N)N)NC(=O)CC[C@H](NC(=O)[C@H](Cc2ccccc2)NC1=O)C(N)=O |r,wU:1.0,54.73,16.16,wD:27.28,5.5,58.61,41.44,(36.67,-5.33,;36.67,-6.88,;35.34,-7.64,;34,-6.88,;34,-5.33,;32.67,-7.64,;32.67,-9.18,;34,-9.96,;34,-11.5,;35.33,-12.27,;35.33,-13.82,;36.66,-14.59,;33.99,-14.59,;31.33,-6.88,;29.99,-7.64,;29.99,-9.18,;28.66,-6.88,;27.33,-7.66,;27.34,-9.2,;28.68,-9.95,;28.69,-11.49,;27.36,-12.28,;26.03,-11.52,;26.01,-9.97,;28.64,-5.33,;29.96,-4.55,;31.31,-5.31,;29.95,-3.01,;28.6,-2.25,;27.24,-2.97,;27.01,-4.49,;25.5,-4.75,;24.77,-3.39,;23.29,-3,;22.87,-1.52,;23.95,-.42,;25.44,-.8,;25.86,-2.28,;31.27,-2.23,;32.61,-2.98,;32.64,-4.52,;33.94,-2.2,;33.92,-.65,;35.25,.13,;35.23,1.67,;36.56,2.46,;36.55,4,;37.88,4.78,;35.2,4.75,;35.29,-2.96,;43.31,-2.98,;44.64,-2.2,;43.33,-4.53,;44.66,-5.29,;44.68,-6.82,;43.35,-7.61,;42.01,-6.85,;42,-5.31,;40.68,-7.63,;40.69,-9.17,;42.04,-9.93,;43.37,-9.15,;44.71,-9.91,;44.72,-11.45,;43.4,-12.23,;42.05,-11.48,;39.34,-6.88,;38.01,-7.64,;38.01,-9.18,;46.02,-7.58,;47.35,-6.81,;46.03,-9.12,)|
BDBM50343649 C[C@@H]1NC(=O)[C@@H](CCCN=C(N)N)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCN=C(N)N)NC(=O)CC[C@H](NC(=O)[C@H](Cc2ccccc2)NC1=O)C(N)=O |r,wU:5.5,1.0,54.73,wD:27.28,58.61,16.16,41.44,(34.32,-23.94,;34.32,-25.48,;32.99,-26.24,;31.66,-25.48,;31.66,-23.94,;30.33,-26.24,;30.33,-27.78,;31.66,-28.56,;31.65,-30.1,;30.32,-30.86,;30.32,-32.4,;28.98,-33.17,;31.65,-33.18,;28.99,-25.48,;27.65,-26.24,;27.65,-27.78,;26.32,-25.48,;24.99,-26.26,;25,-27.8,;26.34,-28.55,;26.35,-30.09,;25.02,-30.87,;23.69,-30.11,;23.67,-28.57,;26.3,-23.94,;27.62,-23.15,;28.97,-23.91,;27.61,-21.62,;26.27,-20.86,;24.9,-21.57,;24.68,-23.1,;23.16,-23.35,;22.44,-21.99,;20.95,-21.61,;20.54,-20.12,;21.62,-19.02,;23.11,-19.41,;23.52,-20.89,;28.93,-20.83,;30.27,-21.59,;30.29,-23.13,;31.6,-20.8,;31.58,-19.26,;32.91,-18.47,;32.89,-16.93,;34.22,-16.15,;34.2,-14.61,;35.52,-13.83,;32.85,-13.85,;32.94,-21.56,;40.96,-21.59,;42.28,-20.81,;40.97,-23.13,;42.31,-23.89,;42.33,-25.43,;41,-26.21,;39.66,-25.45,;39.65,-23.91,;38.33,-26.23,;38.34,-27.77,;39.69,-28.53,;41.02,-27.75,;42.36,-28.51,;42.37,-30.05,;41.04,-30.82,;39.7,-30.07,;36.99,-25.48,;35.66,-26.24,;35.66,-27.78,;43.67,-26.18,;44.99,-25.4,;43.68,-27.72,)|
BDBM50340462 C[C@H]1CN(C[C@@H](C)N1)C(=O)N[C@H](Cc1ccc(F)cc1)C(=O)N1CCC(CC1)(C1CCCCC1)C(=O)NC(C)(C)C |r|
BDBM50340463 CC[C@H]1CN(C[C@@H](CC)N1)C(=O)N[C@H](Cc1ccc(F)cc1)C(=O)N1CCC(CC1)(C1CCCCC1)C(=O)NC(C)(C)C |r|
BDBM50340464 C[C@H]1CN(C[C@@H](C)N1C)C(=O)N[C@H](Cc1ccc(F)cc1)C(=O)N1CCC(CC1)(C1CCCCC1)C(=O)NC(C)(C)C |r|
BDBM50373512 CC(C)[C@H](NC(=O)CCN(C)C)c1cc(C)ccc1N1CCN(CC1)C(=O)[C@@H]1CN(C[C@H]1c1ccc(Cl)cc1)C1CCOCC1
BDBM50373470 CC[C@H](NC(C)=O)c1cc(Cl)ccc1C1CCN(CC1)C(=O)[C@@H]1CN(C[C@H]1c1ccc2ccccc2c1)C(C)(C)C
BDBM50373472 CC[C@H](NC(C)=O)c1cc(Cl)ccc1C1CCN(CC1)C(=O)[C@@H]1CN(C[C@H]1c1ccc(Br)cc1F)C(C)(C)C
BDBM50373474 CC[C@H](NC(C)=O)c1cc(Cl)ccc1C1CCN(CC1)C(=O)[C@H]1CN(C[C@@H]1c1ccc(cc1)C(F)(F)F)C(C)(C)C
BDBM50373475 CC[C@H](NC(C)=O)c1cc(Cl)ccc1C1CCN(CC1)C(=O)[C@H]1CN(C[C@@H]1c1ccc(F)cc1F)C(C)(C)C
BDBM50373476 CC[C@H](NC(C)=O)c1cc(Cl)ccc1C1CCN(CC1)C(=O)[C@H]1CN(C[C@@H]1c1ccc(Br)cc1F)C(C)(C)C
BDBM50373479 CC[C@H](NC(C)=O)c1cc(Cl)ccc1C1CCN(CC1)C(=O)[C@H]1CN(C[C@@H]1c1ccc(Cl)cc1Cl)C(C)(C)C
BDBM50373485 CC[C@H](NC(C)=O)c1cc(Cl)ccc1C1CCN(CC1)C(=O)[C@@H]1CN(C[C@H]1c1ccc(OC)cc1F)C(C)(C)C
BDBM50373487 CC[C@H](NC(C)=O)c1cc(Cl)ccc1C1CCN(CC1)C(=O)[C@@H]1CN(C[C@H]1c1ccc(Cl)cc1F)C(C)(C)C
BDBM50373500 CC(C)[C@H](NC(=O)CCN(C)C)c1cc(C)ccc1N1CCN(CC1)C(=O)[C@H]1CN(C[C@@H]1c1ccc(Cl)cc1)C1CCOCC1
BDBM50372552 N[C@H](Cc1ccc(F)cc1)C(=O)NCCC(Cn1cncn1)C1CCCCC1 |w:15.15|
BDBM50372553 [#7]-[#6@H](-[#6]-c1ccc(F)cc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6]-[#6]-1
BDBM50372554 [#7]-[#6@H](-[#6]-c1ccc(F)cc1)-[#6](=O)-[#7]-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6]-c1ccccc1
BDBM50372555 N[C@H](Cc1ccc(Cl)cc1)C(=O)N1CCC(Cn2cncn2)(CC1)C1CCCCC1
BDBM50372556 [#7]-[#6@H](-[#6]-c1ccc(F)cc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6]-[#7]-1-[#6]-[#6]-[#6]-[#6]-[#6]-1
BDBM50372557 [#7]-[#6@H](-[#6]-c1ccc(F)cc1)-[#6](=O)-[#7]-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6]-[#6]-1-[#6]-[#6]-[#6]-[#6]-[#6]-1
BDBM50377916 N\C([NH-])=[NH+]/CCCC1NC(=O)C(Cc2ccccc2)NC(=O)C2CCCN2C(=O)c2cc(ccc2SCC(NC(=O)C(Cc2c[nH]c3ccccc23)NC1=O)C(N)=O)[N+]([O-])=O
BDBM50378743 C[C@H]1CN(C[C@@H](C)[C@]1(O)c1ccc(F)cc1)C(=O)[C@@H]1CN(C[C@H]1c1ccc(F)cc1F)C(C)(C)C |r|
BDBM50378746 C[C@H]1CN(C[C@@H](C)[C@]1(O)c1ccccc1)C(=O)[C@@H]1CN(C)C[C@H]1c1ccc(F)cc1F |r|
BDBM50378747 C[C@H]1CN(C[C@@H](C)[C@]1(O)C1CC1)C(=O)[C@H]1CN(C[C@@H]1c1ccc(F)cc1F)c1cccnn1 |r|
BDBM50378748 CCC[C@]1(O)[C@@H](C)CN(C[C@H]1C)C(=O)[C@H]1CN(C[C@@H]1c1ccc(F)cc1F)c1cccnn1 |r|
BDBM50389770 CCCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CO)NC(=O)CNC(C)=O)C(=O)N[C@H]1CCC(=O)NCCCC[C@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H]2C[C@@H](O)CN2C1=O)C(N)=O |r,wU:33.36,24.30,47.47,97.106,86.89,75.78,57.110,wD:14.21,8.10,4.4,61.62,99.103,(4.15,-11.82,;4.94,-10.5,;4.19,-9.15,;4.99,-7.83,;4.23,-6.48,;2.7,-6.46,;1.96,-5.12,;2.74,-3.8,;.41,-5.09,;-.38,-6.41,;-1.92,-6.38,;-.34,-3.74,;.46,-2.42,;2,-2.45,;-.29,-1.08,;-1.83,-1.06,;-2.62,-2.37,;-2.02,-3.79,;-3.18,-4.8,;-4.5,-4.01,;-4.16,-2.52,;.5,.24,;-.25,1.59,;-1.79,1.61,;.54,2.9,;2.08,2.88,;2.87,4.2,;4.41,4.17,;5.16,2.83,;5.2,5.49,;-.21,4.25,;.58,5.57,;2.12,5.55,;-.16,6.91,;.63,8.24,;2.16,8.22,;-1.7,6.94,;-2.45,8.29,;-1.66,9.61,;-3.99,8.32,;-4.74,9.67,;-3.94,10.99,;-4.69,12.33,;-2.4,10.95,;5.03,-5.17,;4.28,-3.82,;6.57,-5.19,;7.36,-3.88,;6.78,-2.45,;7.83,-.82,;7.81,7.48,;6.72,8.58,;29.78,7.54,;29.75,2.34,;28.41,1.59,;28.38,.05,;27.04,-.7,;27.02,-2.24,;25.67,-2.98,;24.35,-2.19,;24.37,-.66,;23.01,-2.95,;22.98,-4.49,;24.3,-5.27,;25.72,-4.67,;26.73,-5.83,;25.94,-7.15,;26.4,-8.62,;25.35,-9.75,;23.85,-9.41,;23.4,-7.94,;24.44,-6.81,;21.68,-2.16,;20.34,-2.91,;20.32,-4.45,;19.02,-2.12,;19.04,-.58,;20.38,.17,;20.41,1.71,;21.75,2.46,;21.77,3.99,;20.45,4.78,;23.12,4.75,;17.68,-2.87,;16.35,-2.09,;16.38,-.54,;15.01,-2.83,;14.99,-4.37,;16.31,-5.16,;17.65,-4.41,;18.97,-5.2,;18.95,-6.73,;17.61,-7.48,;16.29,-6.7,;13.69,-2.04,;12.35,-2.79,;12.32,-4.33,;11.03,-2,;11.13,-.45,;9.49,-.1,;8.81,1.43,;8.64,-1.54,;9.75,-2.81,;8.89,-4.09,;9.55,-5.47,;28.34,-3.03,;29.68,-2.28,;28.31,-4.56,)|
BDBM50389771 CCCCCCCCCCCCCCCC(=O)NCC(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCC)C(=O)N[C@H]1CCC(=O)NCCCC[C@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H]2C[C@@H](O)CN2C1=O)C(N)=O |r,wU:28.27,61.61,111.120,100.103,89.92,71.124,22.21,wD:37.36,47.47,53.53,75.76,113.117,(12.35,-13.87,;10.81,-13.85,;10.07,-12.5,;8.53,-12.47,;7.78,-11.13,;6.24,-11.1,;5.45,-12.42,;3.91,-12.39,;3.11,-13.71,;1.58,-13.68,;.83,-12.34,;-.71,-12.31,;-1.46,-10.96,;-3,-10.94,;-3.79,-12.26,;-3.04,-13.6,;-1.5,-13.63,;-3.84,-14.92,;-3.09,-16.27,;-1.55,-16.3,;-.76,-14.97,;-.8,-17.64,;.74,-17.67,;1.53,-16.35,;3.07,-16.37,;1.48,-19.01,;3.03,-19.04,;.69,-20.33,;1.44,-21.68,;2.98,-21.71,;3.78,-20.38,;5.31,-20.41,;6.06,-21.76,;6.11,-19.09,;.65,-23,;-.89,-22.97,;1.4,-24.35,;.61,-25.67,;-.93,-25.64,;-1.72,-26.96,;-1.12,-28.38,;-2.28,-29.39,;-3.6,-28.6,;-3.26,-27.1,;1.36,-27.01,;2.9,-27.04,;.57,-28.33,;1.32,-29.68,;.53,-31,;-1.02,-30.97,;2.86,-29.71,;3.64,-28.38,;3.6,-31.05,;5.14,-31.07,;5.89,-32.42,;5.09,-33.74,;5.84,-35.09,;5.05,-36.41,;5.93,-29.76,;5.18,-28.41,;7.48,-29.78,;8.26,-28.46,;7.69,-27.03,;8.73,-25.41,;8.72,-17.1,;7.63,-16.01,;30.7,-17.04,;30.67,-22.24,;29.33,-22.99,;29.3,-24.53,;27.96,-25.28,;27.94,-26.83,;26.59,-27.57,;25.27,-26.78,;25.29,-25.25,;23.93,-27.54,;23.9,-29.08,;25.22,-29.86,;26.63,-29.26,;27.65,-30.42,;26.86,-31.74,;27.32,-33.21,;26.27,-34.34,;24.77,-34,;24.32,-32.53,;25.36,-31.4,;22.6,-26.75,;21.26,-27.5,;21.23,-29.03,;19.93,-26.71,;19.95,-25.17,;21.3,-24.41,;21.33,-22.88,;22.66,-22.13,;22.69,-20.59,;21.37,-19.8,;24.03,-19.84,;18.59,-27.45,;17.26,-26.67,;17.29,-25.13,;15.92,-27.42,;15.9,-28.96,;17.22,-29.75,;18.57,-29,;19.89,-29.79,;19.86,-31.32,;18.52,-32.08,;17.2,-31.29,;14.6,-26.63,;13.26,-27.38,;13.23,-28.92,;11.94,-26.59,;12.04,-25.04,;10.4,-24.68,;9.72,-23.15,;9.55,-26.13,;10.66,-27.4,;9.79,-28.68,;10.46,-30.06,;29.26,-27.62,;30.6,-26.86,;29.23,-29.15,)|
BDBM50389772 CCCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN=C(N)N)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CO)NC(=O)CNC(C)=O)C(=O)N[C@H]1CCC(=O)NCCCC[C@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H]2C[C@@H](O)CN2C1=O)C(N)=O |r,wU:35.37,26.31,49.48,99.107,88.90,77.79,59.111,wD:14.22,8.10,4.4,63.63,101.104,(9.16,-60.72,;9.95,-59.4,;9.2,-58.05,;10,-56.73,;9.25,-55.38,;7.71,-55.36,;6.96,-54.02,;7.75,-52.69,;5.42,-53.99,;4.63,-55.3,;3.09,-55.28,;4.67,-52.64,;5.46,-51.32,;7.01,-51.35,;4.72,-49.98,;3.18,-49.95,;2.38,-51.27,;.85,-51.24,;.05,-52.56,;-1.49,-52.53,;-2.28,-53.85,;-3.82,-53.82,;-1.54,-55.2,;5.51,-48.66,;4.76,-47.3,;3.22,-47.28,;5.55,-45.99,;7.09,-46.02,;7.88,-44.69,;9.42,-44.72,;10.17,-46.06,;10.21,-43.4,;4.8,-44.64,;5.59,-43.32,;7.13,-43.34,;4.84,-41.98,;5.64,-40.65,;7.17,-40.68,;3.3,-41.95,;2.56,-40.6,;3.35,-39.28,;1.02,-40.58,;.27,-39.23,;1.06,-37.91,;.32,-36.56,;2.6,-37.94,;10.04,-54.06,;9.29,-52.72,;11.58,-54.09,;12.37,-52.77,;11.79,-51.34,;12.84,-49.71,;12.82,-41.4,;11.73,-40.32,;34.81,-41.35,;34.78,-46.55,;33.43,-47.3,;33.4,-48.84,;32.06,-49.59,;32.04,-51.13,;30.7,-51.88,;29.37,-51.09,;29.39,-49.56,;28.03,-51.84,;28.01,-53.39,;29.32,-54.17,;30.74,-53.57,;31.76,-54.72,;30.97,-56.04,;31.42,-57.51,;30.37,-58.65,;28.87,-58.31,;28.42,-56.84,;29.46,-55.71,;26.7,-51.06,;25.36,-51.81,;25.34,-53.34,;24.04,-51.02,;24.06,-49.48,;25.4,-48.72,;25.43,-47.19,;26.77,-46.43,;26.79,-44.9,;25.47,-44.11,;28.14,-44.15,;22.7,-51.76,;21.37,-50.98,;21.39,-49.44,;20.03,-51.73,;20.01,-53.27,;21.33,-54.06,;22.67,-53.31,;23.99,-54.1,;23.97,-55.63,;22.63,-56.38,;21.31,-55.59,;18.71,-50.94,;17.36,-51.69,;17.34,-53.22,;16.04,-50.9,;16.15,-49.34,;14.5,-48.99,;13.83,-47.46,;13.66,-50.43,;14.76,-51.7,;13.9,-52.98,;14.56,-54.37,;33.36,-51.92,;34.71,-51.17,;33.34,-53.46,)|
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BDBM50389784 CCCC[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)CNC(=O)COCCOCCNC(=O)CCCCCCCCCCCCCCCc1nnn[nH]1)C(=O)N[C@H]1CCC(=O)NCCCC[C@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H]2C[C@@H](O)CN2C1=O)C(N)=O |r,wU:35.40,26.31,81.81,131.140,120.123,109.112,91.144,wD:17.22,8.13,4.4,95.96,133.137,(2.22,-30.79,;3.01,-29.47,;2.26,-28.11,;3.06,-26.79,;2.31,-25.45,;.77,-25.45,;.03,-24.06,;.81,-22.76,;-1.52,-24.06,;-2.31,-25.37,;-1.57,-26.72,;-2.36,-28.04,;-3.9,-28.04,;-1.61,-29.39,;-2.28,-22.71,;-1.48,-21.39,;.07,-21.39,;-2.23,-20.04,;-3.77,-20.04,;-4.52,-18.64,;-6.06,-18.64,;-6.8,-17.29,;-6.85,-19.96,;-1.45,-18.72,;-2.19,-17.37,;-3.72,-17.37,;-1.39,-16.06,;.15,-16.06,;.95,-14.78,;2.48,-14.78,;3.23,-16.13,;3.28,-13.47,;-2.14,-14.71,;-1.36,-13.39,;.2,-13.39,;-2.11,-12.05,;-1.31,-10.72,;.24,-10.72,;1.03,-9.42,;2.57,-9.42,;-.31,-8.65,;-3.65,-12.05,;-4.39,-10.67,;-3.6,-9.35,;-5.93,-10.67,;-6.68,-9.3,;-5.88,-7.98,;-4.34,-7.98,;-6.63,-6.63,;-5.84,-5.31,;-4.3,-5.31,;-3.55,-6.69,;-2.01,-6.69,;-1.26,-8.06,;.28,-8.06,;1.08,-6.79,;2.62,-6.79,;3.36,-8.14,;3.41,-5.47,;4.95,-5.47,;5.7,-6.85,;7.24,-6.85,;7.98,-8.22,;9.52,-8.22,;10.27,-9.6,;11.81,-9.6,;12.55,-10.97,;14.09,-10.97,;14.89,-9.68,;14.14,-8.33,;14.93,-7.01,;14.19,-5.67,;14.98,-4.35,;14.23,-3,;12.7,-2.81,;12.41,-1.31,;13.75,-.55,;14.89,-1.61,;3.1,-24.13,;2.35,-22.79,;4.65,-24.13,;5.43,-22.84,;4.86,-21.41,;5.89,-19.78,;5.89,-11.47,;4.8,-10.38,;27.84,-11.47,;27.84,-16.62,;26.47,-17.37,;26.47,-18.91,;25.11,-19.66,;25.11,-21.2,;23.76,-21.95,;22.44,-21.16,;22.44,-19.62,;21.09,-21.91,;21.09,-23.45,;22.39,-24.24,;23.8,-23.63,;24.82,-24.79,;24.03,-26.11,;24.48,-27.58,;23.44,-28.71,;21.93,-28.37,;21.49,-26.9,;22.53,-25.77,;19.76,-21.12,;18.43,-21.87,;18.43,-23.41,;17.1,-21.08,;17.1,-19.54,;18.47,-18.79,;18.47,-17.25,;19.86,-16.5,;19.86,-14.96,;18.54,-14.18,;21.2,-14.21,;15.76,-21.83,;14.43,-21.05,;14.43,-19.5,;13.09,-21.79,;13.09,-23.34,;14.39,-24.12,;15.73,-23.37,;17.06,-24.16,;17.06,-25.7,;15.69,-26.45,;14.39,-25.66,;11.77,-21,;10.43,-21.75,;10.43,-23.29,;9.11,-20.96,;9.21,-19.41,;7.56,-19.06,;6.89,-17.52,;6.72,-20.5,;7.83,-21.77,;6.96,-23.05,;7.62,-24.43,;26.43,-21.99,;27.77,-21.24,;26.43,-23.53,)|
BDBM50389785 CCCC[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)CNC(=O)COCCOCCNC(=O)CCCCCCCCCCCCCCCc1nnn[nH]1)C(=O)N[C@H]1CCC(=O)NCCCC[C@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H]2C[C@@H](O)CN2C1=O)C(N)=O |r,wU:36.42,27.33,82.83,132.142,121.125,110.114,92.146,wD:17.24,8.13,4.4,96.98,134.139,(7.36,-58.21,;8.15,-56.89,;7.4,-55.54,;8.2,-54.22,;7.45,-52.88,;5.91,-52.88,;5.17,-51.48,;5.95,-50.19,;3.63,-51.48,;2.84,-52.8,;3.58,-54.15,;2.79,-55.46,;1.25,-55.46,;3.53,-56.82,;2.88,-50.13,;3.67,-48.81,;5.21,-48.81,;2.92,-47.47,;1.38,-47.47,;.59,-48.76,;-.95,-48.9,;-1.29,-50.4,;.03,-51.2,;1.19,-50.19,;3.71,-46.15,;2.96,-44.8,;1.42,-44.8,;3.75,-43.48,;5.29,-43.48,;6.09,-42.21,;7.62,-42.21,;8.37,-43.56,;8.42,-40.89,;3,-42.13,;3.79,-40.81,;5.34,-40.81,;3.05,-39.47,;3.84,-38.15,;5.38,-38.15,;6.17,-36.85,;7.71,-36.85,;4.83,-36.07,;1.51,-39.47,;.76,-38.1,;1.55,-36.77,;-.79,-38.1,;-1.54,-36.72,;-.74,-35.4,;.81,-35.4,;-1.49,-34.06,;-.7,-32.74,;.85,-32.74,;1.6,-34.11,;3.14,-34.11,;3.89,-35.49,;5.42,-35.49,;6.22,-34.22,;7.76,-34.22,;8.5,-35.57,;8.55,-32.9,;10.09,-32.9,;10.84,-34.27,;12.38,-34.27,;13.12,-35.65,;14.66,-35.65,;15.41,-37.02,;16.95,-37.02,;17.7,-38.4,;19.24,-38.4,;20.03,-37.1,;19.28,-35.76,;20.08,-34.44,;19.33,-33.09,;20.12,-31.77,;19.38,-30.42,;17.84,-30.24,;17.55,-28.73,;18.89,-27.98,;20.03,-29.04,;8.24,-51.56,;7.49,-50.21,;9.79,-51.56,;10.57,-50.27,;10,-48.84,;11.03,-47.21,;11.03,-38.9,;9.94,-37.81,;32.98,-38.9,;32.98,-44.04,;31.61,-44.8,;31.61,-46.33,;30.25,-47.09,;30.25,-48.63,;28.9,-49.37,;27.58,-48.58,;27.58,-47.05,;26.24,-49.34,;26.24,-50.88,;27.53,-51.66,;28.94,-51.06,;29.96,-52.22,;29.17,-53.54,;29.63,-55.01,;28.58,-56.14,;27.08,-55.8,;26.63,-54.33,;27.67,-53.2,;24.91,-48.55,;23.57,-49.3,;23.57,-50.84,;22.24,-48.51,;22.24,-46.97,;23.61,-46.21,;23.61,-44.68,;25,-43.93,;25,-42.39,;23.68,-41.6,;26.34,-41.64,;20.9,-49.26,;19.57,-48.48,;19.57,-46.93,;18.23,-49.22,;18.23,-50.76,;19.53,-51.55,;20.88,-50.8,;22.2,-51.59,;22.2,-53.13,;20.83,-53.88,;19.53,-53.09,;16.91,-48.43,;15.57,-49.18,;15.57,-50.72,;14.25,-48.39,;14.35,-46.84,;12.71,-46.48,;12.03,-44.95,;11.86,-47.93,;12.97,-49.2,;12.1,-50.48,;12.77,-51.86,;31.57,-49.42,;32.91,-48.66,;31.57,-50.95,)|
BDBM50410236 CCCC[C@H](NC(C)=O)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(N)=O
BDBM50410237 CCCC[C@H](NC(C)=O)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N(CCc1c[nH]c2ccccc12)CC(=O)NCC(N)=O
BDBM50410238 CCCC[C@H](NC(C)=O)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@H](Cc1ccccc1)C(=O)N(CCCNC(N)=N)CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(N)=O
BDBM50410239 CCCC[C@H](NC(C)=O)C(=O)NCC(=O)N(CCCCN)CC(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N(CC(=O)NCC(N)=O)Cc1c[nH]c2ccccc12
BDBM50410241 CCCCN(CC(=O)NCC(=O)N(CCCCN)CC(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(N)=O)C(C)=O
BDBM50410243 CCCC[C@H](NC(C)=O)C(=O)NCC(=O)N(CCCCN)CC(=O)N[C@H](Cc1ccccc1)C(=O)N(CCCNC(N)=N)CC(=O)N(CCc1c[nH]c2ccccc12)CC(=O)NCC(N)=O
BDBM50410244 CCCCN(CC(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@H](Cc1ccccc1)C(=O)N(CCCNC(N)=N)CC(=O)N(CC(=O)NCC(N)=O)Cc1c[nH]c2ccccc12)C(C)=O
BDBM50410245 CCCC[C@H](NC(C)=O)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@H](Cc1ccccc1)C(=O)N(CCCNC(N)=N)CC(=O)N(CC(=O)NCC(N)=O)Cc1c[nH]c2ccccc12
BDBM50410247 CCCC[C@H](NC(C)=O)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@H](Cc1ccccc1)C(=O)N(CCCCNC(N)=N)CC(=O)N(CCc1c[nH]c2ccccc12)CC(=O)NCC(N)=O
BDBM50410248 CCCC[C@H](NC(C)=O)C(=O)NCC(=O)N(CCCCN)CC(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCN)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(N)=O
BDBM50410249 CCCCN(CC(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(N)=O)C(C)=O
BDBM50410252 CCCC[C@H](NC(C)=O)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@H](Cc1ccccc1)C(=O)N(CCCNC(N)=N)CC(=O)N(CCc1c[nH]c2ccccc12)CC(=O)NCC(N)=O
BDBM50410254 CCCCN(CC(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N(CC(=O)NCC(N)=O)Cc1c[nH]c2ccccc12)C(C)=O
BDBM50410256 CCCCN(CC(=O)NCC(=O)N(CCCCN)CC(=O)N[C@H](Cc1ccccc1)C(=O)N(CCCNC(N)=N)CC(=O)N(CCc1c[nH]c2ccccc12)CC(=O)NCC(N)=O)C(C)=O
BDBM50410257 CCCCN(CC(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@H](Cc1ccccc1)C(=O)N(CCCNC(N)=N)CC(=O)N(CCc1c[nH]c2ccccc12)CC(=O)NCC(N)=O)C(C)=O
BDBM50410259 CCCC[C@H](NC(C)=O)C(=O)NCC(=O)N(CCCCN)CC(=O)N[C@H](Cc1ccccc1)C(=O)N(CCCNC(N)=N)CC(=O)N(CC(=O)NCC(N)=O)Cc1c[nH]c2ccccc12
BDBM50410260 CCCCN(CC(=O)NCC(=O)N(CCCCN)CC(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N(CC(=O)NCC(N)=O)Cc1c[nH]c2ccccc12)C(C)=O
BDBM50410261 CCCC[C@H](NC(C)=O)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N(CC(=O)NCC(N)=O)Cc1c[nH]c2ccccc12
BDBM50410263 CCCCN(CC(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N(CCc1c[nH]c2ccccc12)CC(=O)NCC(N)=O)C(C)=O
BDBM50017181 CCCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(C)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(C)C)C(N)=O |r|
BDBM50024351 [H][C@]12CC[C@]([H])(NC1)[C@@H](C2)C(=O)N[C@H](Cc1ccc(F)cc1)C(=O)N1CCC(CC1)(C1CCCCC1)C(=O)NC(C)(C)C
BDBM50024350 CC(C)(C)NC(=O)C1(CCN(CC1)C(=O)[C@@H](Cc1ccc(Cl)cc1)NC(=O)C1CCCc2ccccc2C1N)C1CCCCC1
BDBM50211375 [H][C@@]12CCCCN1C(=O)[C@H](Cc1ccc(cc1)-c1ccccc1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CC(=O)NCCCC[C@H](NC(=O)[C@H](Cc1c[nH]c3ccccc13)NC2=O)C(N)=O)NC(=O)[C@H](CCCC)NC(C)=O
BDBM50134947 CCCC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C)C(=O)NCC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@H](Cc1ccc2ccccc2c1)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(N)=O |wU:42.44,8.22,87.92,wD:79.84,32.33,64.67,98.103,12.13,53.56,4.3,(.12,-14.56,;-1.22,-13.8,;-1.21,-12.3,;-2.57,-11.56,;-2.54,-10.05,;-3.91,-9.29,;-5.27,-10.03,;-5.27,-11.53,;-6.6,-9.26,;-7.96,-10.02,;-9.3,-9.26,;-9.3,-7.76,;-10.66,-10,;-11.99,-9.23,;-10.69,-11.5,;-9.33,-12.24,;-9.33,-13.76,;-7.99,-14.51,;-6.64,-13.77,;-5.3,-14.54,;-6.63,-12.27,;-7.97,-11.52,;-6.6,-7.77,;-5.24,-7.04,;-7.94,-7.01,;-1.19,-9.31,;-1.18,-7.8,;.15,-10.05,;1.51,-9.32,;2.85,-10.08,;2.84,-11.59,;4.21,-9.34,;5.54,-10.08,;5.54,-11.6,;6.89,-12.35,;8.32,-11.76,;9.34,-12.89,;8.55,-14.17,;7.05,-13.86,;6.9,-9.36,;6.92,-7.86,;8.26,-10.13,;9.62,-9.37,;9.6,-7.87,;10.7,-6.81,;10.28,-5.37,;11.38,-4.29,;12.89,-4.68,;13.29,-6.13,;12.21,-7.19,;10.96,-10.11,;10.93,-11.6,;12.31,-9.37,;13.66,-10.13,;13.66,-11.63,;14.99,-12.38,;14.98,-13.88,;16.32,-14.65,;16.31,-16.15,;17.66,-16.91,;14.96,-16.89,;15.02,-9.37,;15.02,-7.89,;16.35,-10.14,;17.71,-9.4,;17.73,-7.87,;16.95,-6.53,;15.41,-6.53,;14.62,-5.19,;15.39,-3.84,;14.62,-2.5,;15.39,-1.14,;16.95,-1.14,;17.73,-2.5,;16.95,-3.84,;17.73,-5.17,;19.08,-10.14,;19.07,-11.64,;20.43,-9.4,;21.77,-10.17,;21.77,-11.67,;23.11,-12.43,;24.47,-11.67,;23.11,-13.93,;23.13,-9.43,;23.13,-7.93,;24.47,-10.19,;25.83,-9.43,;25.83,-7.94,;27.21,-7.21,;27.22,-5.7,;28.57,-4.97,;28.58,-3.46,;29.93,-2.72,;27.24,-2.7,;27.18,-10.2,;27.16,-11.7,;28.52,-9.46,;29.89,-10.22,;29.88,-11.73,;31.22,-12.48,;32.57,-11.75,;33.92,-12.49,;33.92,-14,;32.55,-14.74,;31.21,-13.97,;31.24,-9.48,;31.25,-7.98,;32.58,-10.22,;33.94,-9.51,;35.28,-10.25,;36.64,-9.51,;35.28,-11.76,)|
BDBM50080876 CC(=O)N[C@H]1Cc2c(CN([C@H](Cc3ccc(Br)cc3)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc3c[nH]c4ccccc34)C(N)=O)C1=O)[nH]c1ccccc21 |r|
BDBM50165926 CC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H]1CSSC[C@@H](NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)[C@@H](CCC(O)=O)NC1=O)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(O)=O)C(N)=O |wU:103.110,32.96,27.27,4.3,72.76,114.121,61.64,50.53,wD:110.118,94.99,16.16,123.130,36.37,82.87,(-1.2,-14.32,;-.65,-12.88,;.87,-12.64,;-1.63,-11.7,;-1.07,-10.25,;-2.62,-10.24,;-3.96,-9.47,;-5.2,-10.39,;-6.61,-9.78,;-6.79,-8.24,;-8.2,-7.63,;-5.55,-7.32,;-4.14,-7.93,;.45,-10.01,;1.41,-11.19,;.99,-8.56,;.02,-7.37,;1.51,-6.97,;3.03,-6.87,;3.9,-8.14,;5.44,-8.04,;6.29,-9.31,;7.83,-9.22,;5.61,-10.7,;-1.49,-7.62,;-2.04,-9.06,;-2.48,-6.43,;-1.91,-4.99,;-.42,-5.33,;1.11,-5.27,;2.58,-4.78,;3.85,-3.92,;4.85,-2.75,;5.49,-1.36,;5.74,.16,;7.28,.13,;5.56,1.69,;7.06,2.08,;8.14,3.18,;9.06,4.42,;10.51,3.93,;10.5,2.38,;11.63,1.35,;11.28,-.15,;9.82,-.62,;8.7,.44,;9.03,1.94,;4.98,3.11,;4.04,4.33,;5.12,5.43,;2.81,5.24,;3.54,6.6,;5.09,6.63,;5.82,7.98,;7.36,8,;8.1,9.36,;9.64,9.4,;7.3,10.67,;1.37,5.79,;-.16,5.95,;-.23,7.47,;-1.68,5.67,;-2.16,7.12,;-1.14,8.26,;.38,7.93,;1.39,9.08,;.91,10.56,;-.6,10.86,;-1.62,9.71,;-3.06,4.97,;-4.21,3.95,;-5.38,4.96,;-5.04,2.66,;-6.44,3.31,;-6.58,4.84,;-5.42,5.85,;-6.02,7.26,;-7.56,7.12,;-7.89,5.62,;-5.48,1.19,;-5.52,-.35,;-7.05,-.52,;-5.13,-1.84,;-6.56,-2.42,;-7.8,-1.48,;-9.21,-2.06,;-10.42,-1.11,;-9.42,-3.59,;-4.38,-3.17,;-3.27,-4.25,;-4.19,-5.49,;6.15,-3.59,;6.08,-5.12,;7.51,-2.88,;8.81,-3.7,;8.73,-5.24,;10.04,-6.07,;10.17,-3,;10.25,-1.46,;11.47,-3.71,;10.78,-2.02,;11.57,-.8,;12.9,-1.58,;12.83,-3.12,;14.14,-3.95,;14.07,-5.49,;15.34,-3.36,;14.94,-4.86,;15.22,-6.01,;16.72,-5.61,;16.79,-4.06,;18.17,-3.36,;18.22,-1.83,;19.46,-4.2,;20.82,-3.48,;20.9,-1.95,;22.25,-1.24,;22.33,.3,;23.7,1,;23.77,2.55,;22.11,-4.31,;22.04,-5.85,;23.49,-3.61,;24.79,-4.43,;24.71,-5.98,;26.01,-6.8,;27.51,-7.2,;25.94,-8.33,;26.15,-3.73,;27.45,-4.56,;26.22,-2.19,)|
BDBM50027178 [#6]-[#6]-[#6]-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@@H](-[#7]-[#6](=O)-[#6@@H](-[#7])-[#6]-c1ccc(-[#8])cc1)-[#6](-[#6])-[#6])-[#6](=O)-[#7]-[#6]-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6@H]-1-[#6](=O)-[#7]-[#6@H](-[#6]-c1ccc2ccccc2c1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6@H](-[#6]-c1ccc2ccccc2c1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#8])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccccc1)-[#6](=O)-[#7]-[#6]-[#6](=O)-[#8]-[#7]
BDBM50027179 CCCC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C)C(=O)NCC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(=O)ON
BDBM50134950 CCCC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C)C(=O)NCC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@H](Cc1ccc2ccccc2c1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@H](Cc1ccc2ccccc2c1)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(N)=O |wU:8.22,91.97,wD:83.89,32.33,42.44,68.72,102.108,12.13,57.61,4.3,(.36,-20.35,;-.98,-19.59,;-.98,-18.08,;-2.32,-17.35,;-2.31,-15.84,;-3.66,-15.08,;-5.02,-15.82,;-5.03,-17.32,;-6.35,-15.06,;-7.72,-15.79,;-9.06,-15.03,;-9.06,-13.54,;-10.42,-15.79,;-11.76,-15.03,;-10.43,-17.29,;-9.08,-18.04,;-7.73,-17.3,;-6.38,-18.05,;-6.41,-19.56,;-5.05,-20.32,;-7.75,-20.31,;-9.08,-19.56,;-6.35,-13.55,;-7.69,-12.79,;-5,-12.81,;-.96,-15.09,;-.95,-13.58,;.39,-15.85,;1.74,-15.11,;3.08,-15.87,;3.06,-17.39,;4.45,-15.14,;5.79,-15.89,;5.44,-17.36,;5.44,-18.84,;4.02,-19.45,;4.16,-20.93,;5.68,-21.27,;6.48,-19.97,;7.13,-15.15,;7.16,-13.64,;8.48,-15.9,;9.83,-15.17,;9.83,-13.63,;9.42,-12.13,;10.52,-11.02,;10.11,-9.54,;8.61,-9.15,;8.2,-7.65,;6.69,-7.27,;5.62,-8.38,;6.02,-9.86,;7.53,-10.26,;7.94,-11.75,;11.19,-15.9,;11.17,-17.4,;12.53,-15.17,;13.87,-15.92,;13.87,-17.43,;15.21,-18.19,;15.2,-19.68,;16.54,-20.46,;16.53,-21.95,;17.88,-22.7,;15.18,-22.7,;15.24,-15.18,;15.24,-13.69,;16.57,-15.93,;17.94,-15.21,;17.94,-13.67,;17.53,-12.17,;18.64,-11.07,;18.22,-9.57,;16.72,-9.18,;16.3,-7.68,;14.8,-7.3,;13.71,-8.41,;14.13,-9.89,;15.61,-10.3,;16.04,-11.78,;19.27,-15.96,;19.26,-17.46,;20.63,-15.23,;21.98,-15.98,;21.97,-17.49,;23.28,-18.25,;24.65,-17.49,;23.28,-19.74,;23.33,-15.24,;23.34,-13.74,;24.68,-15.99,;26.02,-15.25,;26.03,-13.75,;27.4,-13.02,;27.41,-11.51,;28.75,-10.76,;28.78,-9.27,;30.11,-8.52,;27.43,-8.49,;27.37,-16.02,;27.37,-17.52,;28.72,-15.26,;30.07,-16.04,;30.05,-17.53,;31.39,-18.29,;32.76,-17.56,;34.09,-18.32,;34.09,-19.82,;32.73,-20.55,;31.39,-19.8,;31.42,-15.29,;31.44,-13.78,;32.76,-16.05,;34.12,-15.31,;35.46,-16.08,;36.82,-15.32,;35.46,-17.58,)|
BDBM50134943 [#6]-[#6]-[#6]-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@@H](-[#7]-[#6](=O)-[#6@@H](-[#7])-[#6]-c1ccc(-[#8])cc1)-[#6](-[#6])-[#6])-[#6](=O)-[#7]-[#6]-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccccc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-[#6@H](-[#6]-c1ccc2ccccc2c1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#8])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccccc1)-[#6](=O)-[#7]-[#6]-[#6](-[#7])=O
BDBM50105882 CC(=O)N[C@@H]1CSSC[C@H](NC(=O)CNC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc2ccc(Cl)c(Cl)c2)NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)[C@@H](CCC(O)=O)NC1=O)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)[C@H](CCCCN)NC(=O)[C@@H](N)CC(O)=O |wU:80.86,87.94,4.3,55.58,42.44,99.106,31.33,wD:9.78,90.102,17.17,65.69,(.52,-47.47,;1.54,-48.61,;1.05,-50.07,;3.03,-48.31,;3.52,-46.84,;5.04,-47.16,;6.57,-47.1,;8.05,-46.66,;9.39,-45.89,;10.5,-44.84,;11.32,-43.53,;11.81,-42.07,;13.32,-42.38,;11.93,-40.54,;11.69,-39.02,;11.09,-37.6,;12.42,-36.83,;10.16,-36.37,;11.27,-35.3,;12.74,-35.72,;13.97,-34.78,;15.23,-35.65,;14.81,-37.13,;15.63,-38.43,;14.9,-39.79,;13.35,-39.84,;12.55,-38.53,;13.27,-37.18,;8.97,-35.39,;7.57,-34.73,;8.06,-33.27,;6.06,-34.41,;6.19,-32.88,;7.57,-32.23,;7.71,-30.69,;9.1,-30.03,;9.23,-28.49,;10.62,-27.83,;7.95,-27.62,;4.52,-34.48,;3.05,-34.9,;2.45,-33.5,;1.71,-35.69,;.79,-34.45,;.78,-32.92,;2.1,-32.13,;2.1,-30.6,;.75,-29.85,;.73,-28.31,;-.57,-30.63,;-1.91,-29.87,;-.55,-32.16,;.61,-36.74,;-.22,-38.05,;-1.62,-37.39,;-.71,-39.51,;-2.23,-39.21,;-2.7,-37.74,;-1.81,-36.49,;-2.72,-35.25,;-4.18,-35.74,;-4.18,-37.28,;-.83,-41.05,;-.58,-42.56,;-2.06,-43,;.02,-43.98,;-1.32,-44.75,;-2.65,-43.98,;-3.98,-44.75,;-5.32,-43.98,;-3.98,-46.29,;.94,-45.22,;2.14,-46.19,;1.31,-47.49,;11.69,-45.8,;11.44,-47.33,;13.14,-45.26,;13.04,-43.73,;14.49,-43.18,;15.44,-44.38,;14.62,-45.66,;15.16,-47.1,;14.2,-48.29,;16.69,-47.33,;16.61,-45.8,;18.04,-45.24,;19,-46.44,;18.17,-47.73,;18.93,-49.06,;18.16,-50.38,;20.47,-49.06,;21.24,-47.73,;20.47,-46.39,;21.24,-45.07,;20.47,-43.73,;21.25,-42.4,;21.23,-50.38,;22.77,-50.38,;23.54,-49.06,;23.53,-51.73,;25.07,-51.73,;22.75,-53.04,;23.52,-54.39,;22.75,-55.71,;25.06,-54.39,)|
BDBM50105887 CC(=O)N[C@@H]1CSSC[C@H](NC(=O)CNC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)[C@@H](CCC(O)=O)NC1=O)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)[C@H](CCCCN)NC(=O)[C@@H](N)CC(O)=O |wU:82.89,89.97,4.3,57.61,42.44,101.109,31.33,wD:9.81,92.105,17.17,67.72,(.52,-47.48,;1.54,-48.63,;1.05,-50.09,;3.04,-48.33,;3.52,-46.86,;5.04,-47.18,;6.57,-47.12,;8.06,-46.67,;9.39,-45.91,;10.5,-44.85,;11.33,-43.55,;11.81,-42.09,;13.33,-42.39,;11.93,-40.55,;11.7,-39.03,;11.09,-37.61,;12.42,-36.84,;10.16,-36.38,;11.28,-35.31,;12.75,-35.73,;13.97,-34.79,;15.24,-35.66,;14.82,-37.14,;15.63,-38.45,;14.9,-39.8,;13.35,-39.85,;12.55,-38.55,;13.27,-37.19,;8.97,-35.4,;7.58,-34.74,;8.06,-33.28,;6.06,-34.43,;6.19,-32.89,;7.58,-32.24,;7.71,-30.7,;9.11,-30.04,;9.23,-28.5,;10.62,-27.84,;7.95,-27.63,;4.53,-34.5,;3.05,-34.91,;2.45,-33.51,;1.71,-35.7,;.79,-34.46,;.78,-32.93,;2.1,-32.14,;2.1,-30.61,;.75,-29.86,;.73,-28.32,;-.61,-27.57,;-1.93,-28.36,;-1.91,-29.88,;-.57,-30.65,;-.55,-32.17,;.61,-36.75,;-.23,-38.06,;-1.62,-37.41,;-.71,-39.53,;-2.23,-39.22,;-2.7,-37.76,;-1.81,-36.5,;-2.72,-35.26,;-4.18,-35.75,;-4.18,-37.29,;-.83,-41.06,;-.58,-42.58,;-2.06,-43.01,;.02,-44,;-1.32,-44.76,;-2.65,-44,;-3.98,-44.76,;-5.32,-44,;-3.98,-46.3,;.94,-45.23,;2.14,-46.21,;1.31,-47.5,;11.7,-45.81,;11.44,-47.34,;13.14,-45.28,;13.05,-43.74,;14.49,-43.2,;15.45,-44.39,;14.62,-45.67,;15.17,-47.12,;14.2,-48.3,;16.7,-47.35,;16.61,-45.81,;18.05,-45.25,;19.01,-46.46,;18.17,-47.75,;18.94,-49.07,;18.16,-50.4,;20.48,-49.07,;21.25,-47.75,;20.48,-46.41,;21.25,-45.08,;20.48,-43.74,;21.26,-42.41,;21.24,-50.4,;22.77,-50.4,;23.55,-49.07,;23.54,-51.74,;25.08,-51.75,;22.76,-53.05,;23.53,-54.41,;22.76,-55.73,;25.06,-54.41,)|
BDBM50024372 COc1ccc(cc1)N1N=C(CC(CC[C@@H](C)NC(=O)[C@H]2CCNC[C@@H]2c2ccc(F)cc2)C1=O)Sc1ccc(Cl)cc1 |c:10|
BDBM50024374 COc1ccc(cc1)N1N=C(CC(CC[C@@H](C)NC(=O)[C@H]2CNC[C@@H]2c2ccc(F)cc2)C1=O)Sc1ccc(Cl)cc1 |c:10|
BDBM50410251 CCCC[C@H](NC(C)=O)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@H](Cc1ccccc1)C(=O)N(CCCCN=C(N)N)CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(N)=O |wU:48.49,25.25,16.16,wD:4.3,(27.31,-19.56,;25.86,-19.03,;24.68,-20.02,;23.23,-19.48,;22.05,-20.47,;22.31,-21.99,;23.76,-22.52,;24.94,-21.53,;24.02,-24.04,;20.61,-19.94,;20.34,-18.42,;19.42,-20.93,;17.98,-20.39,;16.79,-21.38,;17.06,-22.9,;15.35,-20.85,;14.17,-21.84,;14.43,-23.35,;15.88,-23.88,;16.14,-25.4,;17.58,-25.93,;17.85,-27.45,;12.72,-21.31,;13.4,-19.92,;11.54,-22.29,;10.09,-21.76,;9.83,-20.24,;11.01,-19.26,;10.75,-17.74,;11.93,-16.75,;13.38,-17.28,;13.64,-18.8,;12.46,-19.79,;8.91,-22.75,;9.17,-24.26,;7.46,-22.22,;7.2,-20.7,;5.76,-20.17,;5.49,-18.65,;4.05,-18.12,;3.79,-16.6,;4.97,-15.61,;4.71,-14.1,;6.41,-16.15,;6.28,-23.2,;4.84,-22.67,;4.57,-21.15,;3.65,-23.66,;2.21,-23.13,;1.03,-24.11,;-.42,-23.58,;-.84,-22.1,;-2.38,-22.04,;-2.91,-23.49,;-4.34,-24.06,;-4.56,-25.58,;-3.35,-26.54,;-1.92,-25.96,;-1.7,-24.44,;1.95,-21.61,;3.13,-20.62,;.5,-21.08,;.24,-19.56,;-1.21,-19.03,;-1.47,-17.51,;-2.39,-20.02,)|
BDBM50080875 CC(=O)N[C@H]1Cc2c(CN([C@H](Cc3ccc(F)cc3)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc3c[nH]c4ccccc34)C(N)=O)C1=O)[nH]c1ccccc21 |r|
BDBM50080877 CC(=O)N[C@H]1Cc2ccccc2CN([C@H](Cc2ccccc2)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(N)=O)C1=O |r|
BDBM50080878 CC(=O)N[C@H]1Cn2nncc2CN([C@H](Cc2ccccc2)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(N)=O)C1=O |r|
BDBM50080874 CC(=O)N[C@H]1Cc2c(CN([C@H](Cc3ccccc3)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc3c[nH]c4ccccc34)C(N)=O)C1=O)[nH]c1ccccc21 |r|
BDBM50112909 CCCC[C@@H](NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCC[C@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)N(C)C(=O)[C@H](CCCNC(N)=N)N(C)C(=O)[C@@H](Cc2ccc3ccccc3c2)N(C)C(=O)[C@H](Cc2cnc[nH]2)NC1=O)C(N)=O |r|
BDBM50112910 CCCC[C@@H](NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCC[C@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)N(C)C(=O)[C@H](CCCNC(N)=N)N(C)C(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](Cc2cnc[nH]2)N(C)C1=O)C(N)=O |r|
BDBM50112978 CCCC[C@@H](NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCC[C@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)N(C)C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](Cc2ccc3ccccc3c2)N(C)C(=O)[C@H](Cc2cnc[nH]2)N(C)C1=O)C(N)=O |r|
BDBM50112982 CCCC[C@@H](NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCC[C@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(N)=N)N(C)C(=O)[C@@H](Cc2ccc3ccccc3c2)N(C)C(=O)[C@H](Cc2cnc[nH]2)N(C)C1=O)C(N)=O |r|
BDBM50112983 CCCC[C@@H](NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCC[C@H](N(C)C(=O)[C@H](Cc2c[nH]c3ccccc23)N(C)C(=O)[C@H](CCCNC(N)=N)N(C)C(=O)[C@@H](Cc2ccc3ccccc3c2)N(C)C(=O)[C@H](Cc2cnc[nH]2)NC1=O)C(N)=O |r|
BDBM50112984 CCCC[C@@H](NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCC[C@H](N(C)C(=O)[C@H](Cc2c[nH]c3ccccc23)N(C)C(=O)[C@H](CCCNC(N)=N)N(C)C(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](Cc2cnc[nH]2)N(C)C1=O)C(N)=O |r|
BDBM50113052 CCCC[C@@H](NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCC[C@H](N(C)C(=O)[C@H](Cc2c[nH]c3ccccc23)N(C)C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](Cc2ccc3ccccc3c2)N(C)C(=O)[C@H](Cc2cnc[nH]2)N(C)C1=O)C(N)=O |r|
BDBM50113053 CCCC[C@@H](NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCC[C@H](N(C)C(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(N)=N)N(C)C(=O)[C@@H](Cc2ccc3ccccc3c2)N(C)C(=O)[C@H](Cc2cnc[nH]2)N(C)C1=O)C(N)=O |r|
BDBM50113226 CCCC[C@@H](NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCC[C@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)N(C)C(=O)[C@H](CCCNC(N)=N)N(C)C(=O)[C@@H](Cc2ccc3ccccc3c2)N(C)C(=O)[C@H](Cc2cnc[nH]2)N(C)C1=O)C(N)=O |r|
BDBM50113258 CCCC[C@@H](NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCC[C@H](N(C)C(=O)[C@H](Cc2c[nH]c3ccccc23)N(C)C(=O)[C@H](CCCNC(N)=N)N(C)C(=O)[C@@H](Cc2ccc3ccccc3c2)N(C)C(=O)[C@H](Cc2cnc[nH]2)N(C)C1=O)C(N)=O |r|
BDBM230656 NC(=N)NCCC[C@H]1N[C@@H](CNC(=O)c2ccc3ccccc3c2)CCN(CC(c2ccccc2)c2ccccc2)C1=O
BDBM230657 O=C(NC[C@H]1CCN(CC(c2ccccc2)c2ccccc2)C(=O)[C@@H](CCCN2CCCCC2)N1)c1ccc2ccccc2c1
BDBM230658 Clc1ccc(\C=C\C(=O)NC[C@H]2CCN(CC(c3ccccc3)c3ccccc3)C(=O)[C@@H](CCN3CCCCC3)N2)cc1
BDBM230659 CCC(CC)CN1CC[C@H](CNC(=O)\C=C\c2ccc(Cl)cc2)N[C@H](CCN2CCCCC2)C1=O
BDBM50112887 CCCC[C@@H](NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCC[C@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](Cc2cnc[nH]2)NC1=O)C(N)=O |r|
BDBM50112888 CCCC[C@@H](NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCC[C@H](N(C)C(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](Cc2cnc[nH]2)NC1=O)C(N)=O |r|
BDBM50112889 CCCC[C@@H](NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCC[C@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)N(C)C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](Cc2cnc[nH]2)NC1=O)C(N)=O |r|
BDBM50112890 CCCC[C@@H](NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCC[C@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(N)=N)N(C)C(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](Cc2cnc[nH]2)NC1=O)C(N)=O |r|
BDBM50112891 CCCC[C@@H](NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCC[C@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](Cc2ccc3ccccc3c2)N(C)C(=O)[C@H](Cc2cnc[nH]2)NC1=O)C(N)=O |r|
BDBM50112892 CCCC[C@@H](NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCC[C@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](Cc2cnc[nH]2)N(C)C1=O)C(N)=O |r|
BDBM50112893 CCCC[C@@H](NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCC[C@H](N(C)C(=O)[C@H](Cc2c[nH]c3ccccc23)N(C)C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](Cc2cnc[nH]2)NC1=O)C(N)=O |r|
BDBM50112894 CCCC[C@@H](NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCC[C@H](N(C)C(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(N)=N)N(C)C(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](Cc2cnc[nH]2)NC1=O)C(N)=O |r|
BDBM50112895 CCCC[C@@H](NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCC[C@H](N(C)C(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](Cc2ccc3ccccc3c2)N(C)C(=O)[C@H](Cc2cnc[nH]2)NC1=O)C(N)=O |r|
BDBM50112896 CCCC[C@@H](NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCC[C@H](N(C)C(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](Cc2cnc[nH]2)N(C)C1=O)C(N)=O |r|
BDBM50112897 CCCC[C@@H](NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCC[C@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)N(C)C(=O)[C@H](CCCNC(N)=N)N(C)C(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](Cc2cnc[nH]2)NC1=O)C(N)=O |r|
BDBM50112898 CCCC[C@@H](NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCC[C@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)N(C)C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](Cc2ccc3ccccc3c2)N(C)C(=O)[C@H](Cc2cnc[nH]2)NC1=O)C(N)=O |r|
BDBM50112900 CCCC[C@@H](NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCC[C@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(N)=N)N(C)C(=O)[C@@H](Cc2ccc3ccccc3c2)N(C)C(=O)[C@H](Cc2cnc[nH]2)NC1=O)C(N)=O |r|
BDBM50112902 CCCC[C@@H](NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCC[C@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](Cc2ccc3ccccc3c2)N(C)C(=O)[C@H](Cc2cnc[nH]2)N(C)C1=O)C(N)=O |r|
BDBM50112904 CCCC[C@@H](NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCC[C@H](N(C)C(=O)[C@H](Cc2c[nH]c3ccccc23)N(C)C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](Cc2ccc3ccccc3c2)N(C)C(=O)[C@H](Cc2cnc[nH]2)NC1=O)C(N)=O |r|
BDBM50112906 CCCC[C@@H](NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCC[C@H](N(C)C(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(N)=N)N(C)C(=O)[C@@H](Cc2ccc3ccccc3c2)N(C)C(=O)[C@H](Cc2cnc[nH]2)NC1=O)C(N)=O |r|
BDBM50112907 CCCC[C@@H](NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCC[C@H](N(C)C(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(N)=N)N(C)C(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](Cc2cnc[nH]2)N(C)C1=O)C(N)=O |r|
BDBM50112908 CCCC[C@@H](NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCC[C@H](N(C)C(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](Cc2ccc3ccccc3c2)N(C)C(=O)[C@H](Cc2cnc[nH]2)N(C)C1=O)C(N)=O |r|
BDBM50112899 CCCC[C@@H](NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCC[C@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)N(C)C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](Cc2cnc[nH]2)N(C)C1=O)C(N)=O |r|
BDBM50112901 CCCC[C@@H](NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCC[C@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(N)=N)N(C)C(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](Cc2cnc[nH]2)N(C)C1=O)C(N)=O |r|
BDBM50112903 CCCC[C@@H](NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCC[C@H](N(C)C(=O)[C@H](Cc2c[nH]c3ccccc23)N(C)C(=O)[C@H](CCCNC(N)=N)N(C)C(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](Cc2cnc[nH]2)NC1=O)C(N)=O |r|
BDBM50112905 CCCC[C@@H](NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCC[C@H](N(C)C(=O)[C@H](Cc2c[nH]c3ccccc23)N(C)C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](Cc2cnc[nH]2)N(C)C1=O)C(N)=O |r|