BindingDB logo
myBDB logout

456 SMILES Strings for Integrin alpha-V/beta-5

Compound NameSMILES String
BDBM50001758 COc1ccnc(NCCCOc2ccc(C[C@@H](CC(O)=O)NC(=O)c3ccc(OC(C)C)cc3)cc2)c1 |r|
BDBM50003851 [#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6]-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#8])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccccc1)-[#6](-[#8])=O |r|
BDBM50030034 [H][C@]12[#6]-[#6]-[#6]-[#7]1-[#6](=O)-[#6@H](-[#6]-[#6](-[#7])=O)-[#7]-[#6](=O)-[#6@H](-[#6])-[#16]-[#16]-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6@@H](-[#6]-c1ccc(-[#8]-[#6])cc1)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#8])=O)-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6]2=O)-[#6](-[#7])=O
BDBM50030072 [H][C@]12[#6]-[#6]-[#6]-[#7]1-[#6](=O)-[#6@H](-[#6]-[#6](-[#7])=O)-[#7]-[#6](=O)-[#6]C1([#6]-[#6]-[#6]-[#6]1)[#16]-[#16]-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6@@H](-[#6]-c1ccc(-[#8]-[#6])cc1)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#8])=O)-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6]2=O)-[#6](-[#7])=O
BDBM50030049 N[C@H]1CCCN=C(N)NC(=O)[C@H](N)C2(CCCCC2)SSC[C@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc2ccc(Cl)cc2)NC(=O)[C@H](CC(O)=O)NC(=O)CNC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](Cc2c[nH]cn2)NC(=O)CNC1=O)C(=O)N[C@@H](CCCN=C(N)N)C(O)=O |wU:22.89,72.74,1.0,wD:49.51,89.92,37.38,11.11,26.27,61.63,(-3.78,-2.69,;-2.48,-3.51,;-1.54,-2.28,;-.41,-1.23,;.88,-.39,;2.3,.23,;3.78,.59,;3.54,2.12,;5.32,.7,;6.85,.55,;7.13,2.07,;8.34,.14,;8.59,1.67,;9.74,-.51,;8.97,.81,;9.75,2.15,;11.28,2.14,;12.05,.81,;11.28,-.52,;11,-1.39,;12.1,-2.47,;13,-3.73,;13.66,-5.12,;14.1,-6.6,;14.28,-8.12,;15.81,-8.08,;14.18,-9.65,;15.71,-9.88,;16.83,-8.97,;18.26,-9.54,;19.48,-8.62,;20.9,-9.19,;22.13,-8.25,;21.11,-10.73,;13.84,-11.17,;13.25,-12.58,;14.61,-13.3,;12.42,-13.87,;13.65,-14.82,;15.18,-14.82,;15.94,-13.49,;17.48,-13.45,;18.26,-14.78,;19.81,-14.74,;17.52,-16.12,;15.99,-16.15,;11.39,-15.02,;10.17,-15.99,;11.02,-17.26,;8.81,-16.71,;9.43,-18.11,;10.96,-18.3,;11.87,-17.06,;11.57,-19.71,;7.36,-17.21,;5.83,-17.45,;5.94,-18.99,;4.3,-17.41,;2.78,-17.13,;1.33,-16.6,;.69,-18,;,-15.84,;-.88,-17.1,;-.22,-18.49,;-1.1,-19.76,;-.44,-21.15,;-1.33,-22.41,;-.68,-23.8,;-2.87,-22.28,;-1.18,-14.86,;-2.18,-13.67,;-3.44,-14.58,;-2.97,-12.36,;-4.36,-13.02,;-4.46,-14.56,;-3.29,-15.56,;-3.87,-16.99,;-5.41,-16.87,;-5.78,-15.37,;-3.53,-10.91,;-3.83,-9.41,;-5.37,-9.58,;-3.87,-7.86,;-3.66,-6.34,;-3.18,-4.88,;-4.61,-4.28,;15.11,-4.56,;16.3,-5.52,;15.35,-3.04,;16.78,-2.49,;17.98,-3.45,;19.42,-2.89,;20.61,-3.86,;22.05,-3.3,;23.26,-4.28,;24.68,-3.73,;23.02,-5.8,;17.02,-.97,;18.46,-.41,;15.81,.01,)|
BDBM50030029 CCCCOc1ccc(C[C@@H]2NC(=O)[C@H](CC(O)=O)NC(=O)CNC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](Cc3c[nH]cn3)NC(=O)CNC(=O)[C@@H](N)CCCN=C(N)NC(=O)[C@H](N)C3(CCCCC3)SSC[C@H](NC(=O)[C@H](CCCN=C(N)N)NC2=O)C(=O)N[C@@H](CCCN=C(N)N)C(O)=O)cc1 |wU:73.90,37.37,51.52,wD:14.14,91.93,10.9,62.63,77.79,26.26,(24.27,-15.51,;22.72,-15.55,;21.92,-14.23,;20.38,-14.29,;19.57,-12.98,;18.03,-13.03,;17.31,-14.38,;15.76,-14.44,;14.96,-13.12,;13.42,-13.12,;12.2,-12.18,;11.16,-13.33,;9.95,-14.27,;10.79,-15.57,;8.59,-15.01,;9.21,-16.42,;10.74,-16.58,;11.65,-15.34,;11.35,-18.01,;7.13,-15.49,;5.61,-15.73,;5.72,-17.27,;4.07,-15.72,;2.55,-15.44,;1.11,-14.9,;.46,-16.29,;-.22,-14.12,;-1.1,-15.4,;-.44,-16.79,;-1.33,-18.05,;-.67,-19.45,;-1.55,-20.71,;-.9,-22.1,;-3.09,-20.58,;-1.41,-13.14,;-2.41,-11.98,;-3.66,-12.86,;-3.2,-10.66,;-4.58,-11.33,;-4.68,-12.86,;-3.51,-13.85,;-4.09,-15.29,;-5.63,-15.18,;-6,-13.68,;-3.75,-9.22,;-4.05,-7.7,;-5.58,-7.89,;-4.09,-6.16,;-3.88,-4.65,;-3.41,-3.18,;-4.83,-2.57,;-2.7,-1.81,;-4,-.98,;-1.76,-.59,;-.63,.46,;.65,1.31,;2.07,1.93,;3.56,2.3,;3.32,3.83,;5.1,2.41,;6.63,2.24,;6.91,3.76,;8.11,1.83,;8.22,3.42,;9.5,1.18,;11.05,1.18,;11.82,2.5,;11.06,3.84,;9.52,3.84,;8.74,2.51,;10.77,.3,;11.87,-.78,;12.77,-2.04,;13.44,-3.41,;13.87,-4.89,;14.05,-6.42,;15.57,-6.39,;13.96,-7.96,;15.48,-8.18,;16.68,-7.31,;18.03,-8.02,;19.33,-7.19,;20.7,-7.89,;22.01,-7.07,;20.77,-9.44,;13.61,-9.46,;13.02,-10.88,;14.38,-11.59,;14.88,-2.87,;16.07,-3.83,;15.11,-1.33,;16.55,-.78,;17.75,-1.76,;19.19,-1.2,;20.39,-2.17,;21.82,-1.61,;23.03,-2.57,;24.45,-2.02,;22.79,-4.11,;16.79,.74,;18.23,1.3,;15.59,1.7,;15.67,-11.76,;17.21,-11.72,)|
BDBM50030069 N[C@H]1CCCN=C(N)NC(=O)[C@H](N)C2(CCCCC2)SSC[C@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc2ccc(I)cc2)NC(=O)[C@H](CC(O)=O)NC(=O)CNC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](Cc2c[nH]cn2)NC(=O)CNC1=O)C(=O)N[C@@H](CCCN=C(N)N)C(O)=O |wU:22.89,72.74,1.0,wD:49.51,89.92,37.38,11.11,26.27,61.63,(-3.53,-2.5,;-2.24,-3.33,;-1.3,-2.11,;-.17,-1.05,;1.11,-.21,;2.54,.41,;4.02,.77,;3.79,2.29,;5.55,.88,;7.09,.72,;7.37,2.24,;8.57,.31,;8.68,1.66,;9.96,-.32,;9.19,1.01,;9.96,2.36,;11.52,2.35,;12.29,1.01,;11.52,-.32,;11.23,-1.22,;12.33,-2.29,;13.23,-3.55,;13.9,-4.93,;14.32,-6.41,;14.51,-7.94,;16.03,-7.9,;14.42,-9.48,;15.94,-9.7,;17.12,-8.68,;18.54,-9.22,;19.75,-8.26,;21.19,-8.82,;22.38,-7.85,;21.43,-10.33,;14.07,-10.98,;13.47,-12.4,;14.83,-13.11,;12.66,-13.7,;13.88,-14.64,;15.44,-14.64,;16.16,-13.26,;17.69,-13.21,;18.51,-14.53,;20.05,-14.46,;17.79,-15.88,;16.25,-15.93,;11.62,-14.84,;10.4,-15.79,;11.25,-17.08,;9.05,-16.53,;9.66,-17.93,;11.2,-18.11,;12.12,-16.88,;11.81,-19.51,;7.59,-17.01,;6.07,-17.26,;6.18,-18.79,;4.53,-17.23,;3.02,-16.95,;1.57,-16.42,;.93,-17.81,;.24,-15.65,;-.63,-16.92,;.02,-18.3,;-.87,-19.57,;-.2,-20.97,;-1.09,-22.23,;-.44,-23.62,;-2.64,-22.1,;-.94,-14.66,;-1.94,-13.49,;-3.2,-14.4,;-2.74,-12.18,;-4.11,-12.84,;-4.22,-14.38,;-3.05,-15.37,;-3.63,-16.8,;-5.16,-16.69,;-5.53,-15.19,;-3.28,-10.73,;-3.59,-9.22,;-5.13,-9.4,;-3.63,-7.68,;-3.41,-6.16,;-2.94,-4.7,;-4.37,-4.1,;15.34,-4.39,;16.55,-5.35,;15.57,-2.86,;17.01,-2.3,;18.21,-3.28,;19.66,-2.72,;20.84,-3.68,;22.28,-3.13,;23.49,-4.1,;24.91,-3.54,;23.25,-5.63,;17.25,-.78,;18.69,-.23,;16.06,.18,)|
BDBM50030048 [H][C@]1(NC(=O)[C@@H](N)CCCN=C(N)NC(=O)[C@H](N)C2(CCCCC2)SSC[C@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc2ccc(OC)cc2)NC(=O)[C@H](CC(O)=O)NC(=O)CNC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](Cc2c[nH]cn2)NC1=O)C(=O)N[C@@H](CCCN=C(N)N)C(O)=O)[C@@H](C)CC |wU:27.91,78.80,5.5,1.0,wD:55.57,91.94,42.43,16.16,31.32,67.69,102.106,(-3.35,-7.68,;-2.17,-9.12,;-1.95,-7.6,;-1.48,-6.14,;-2.9,-5.55,;-.76,-4.77,;-2.07,-3.95,;.15,-3.54,;1.3,-2.49,;2.58,-1.65,;4,-1.03,;5.5,-.67,;5.26,.86,;7.04,-.56,;8.56,-.71,;8.85,.81,;10.06,-1.12,;10.13,.42,;11.45,-1.76,;10.68,-.43,;11.45,.9,;12.99,.89,;13.75,-.44,;12.99,-1.77,;12.71,-2.66,;13.81,-3.73,;14.71,-4.99,;15.38,-6.38,;15.82,-7.86,;15.99,-9.38,;17.52,-9.34,;15.9,-10.92,;17.43,-11.14,;18.88,-10.29,;20.27,-10.95,;21.53,-10.08,;22.92,-10.74,;24.2,-9.87,;23.03,-12.29,;15.56,-12.44,;14.96,-13.84,;16.33,-14.57,;14.13,-15.14,;15.36,-16.09,;15.75,-17.58,;14.53,-18.51,;14.73,-20.04,;16.14,-20.64,;16.36,-22.16,;17.77,-22.75,;17.38,-19.7,;17.18,-18.17,;13.1,-16.29,;11.88,-17.25,;12.73,-18.53,;10.53,-17.98,;11.14,-19.38,;10.74,-20.87,;11.83,-21.96,;9.25,-21.25,;9.06,-18.48,;7.55,-18.72,;7.65,-20.25,;6,-18.68,;4.49,-18.4,;3.04,-17.86,;2.39,-19.27,;1.71,-17.1,;.83,-18.36,;1.48,-19.75,;.6,-21.03,;1.26,-22.42,;.38,-23.68,;1.04,-25.07,;-1.16,-23.55,;.52,-16.12,;-.48,-14.94,;-1.72,-15.85,;-1.27,-13.62,;-2.65,-14.29,;-2.76,-15.83,;-1.59,-16.83,;-2.16,-18.25,;-3.7,-18.14,;-4.07,-16.64,;-1.82,-12.18,;-2.12,-10.68,;-3.65,-10.84,;16.82,-5.82,;18.02,-6.79,;17.06,-4.3,;18.49,-3.75,;19.7,-4.71,;21.14,-4.16,;22.34,-5.12,;23.77,-4.56,;24.97,-5.55,;26.42,-4.99,;24.73,-7.06,;18.73,-2.23,;20.17,-1.67,;17.54,-1.25,;-3.7,-9.05,;-4.4,-7.66,;-4.56,-10.32,;-6.09,-10.25,)|
BDBM50030066 [H][C@]12[#6]-[#6]-[#6]-[#7]1-[#6](=O)-[#6@H](-[#6]-[#6](-[#7])=O)-[#7]-[#6](=O)-[#6@H](-[#6]-[#16]-[#16]-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6@@H](-[#6]-c1ccc(-[#8]-[#6]-[#6]-[#6]-[#6])cc1)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#8])=O)-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6]2=O)-[#6](-[#7])=O)-[#7]-[#6](-[#6])=O
BDBM50030067 CC(C)C[C@H]1NC(=O)[C@H](CC(O)=O)NC(=O)CNC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](Cc2c[nH]cn2)NC(=O)CNC(=O)[C@@H](N)CCCN=C(N)NC(=O)[C@H](N)C2(CCCCC2)SSC[C@H](NC(=O)[C@H](CCCN=C(N)N)NC1=O)C(=O)N[C@@H](CCCN=C(N)N)C(O)=O |wU:67.84,31.31,4.3,45.46,wD:8.8,85.87,56.57,71.73,20.20,(16.96,-15.73,;16.78,-17.24,;18,-18.19,;15.35,-17.85,;14.12,-16.91,;13.09,-18.03,;11.88,-19,;12.72,-20.29,;10.51,-19.73,;11.14,-21.15,;12.67,-21.32,;13.58,-20.07,;13.27,-22.74,;9.07,-20.22,;7.53,-20.45,;7.65,-21.99,;5.99,-20.45,;4.48,-20.17,;3.04,-19.63,;2.38,-21.01,;1.7,-18.85,;.82,-20.13,;1.48,-21.52,;.61,-22.78,;1.26,-24.18,;.37,-25.44,;1.03,-26.84,;-1.16,-25.31,;.52,-17.87,;-.48,-16.71,;-1.72,-17.59,;-1.26,-15.39,;-2.65,-16.05,;-2.76,-17.59,;-1.58,-18.57,;-2.17,-20.01,;-3.7,-19.91,;-4.08,-18.41,;-1.82,-13.95,;-2.13,-12.42,;-3.65,-12.61,;-2.17,-10.88,;-1.95,-9.37,;-1.48,-7.9,;-2.91,-7.3,;-.76,-6.53,;-2.07,-5.71,;.16,-5.32,;1.29,-4.26,;2.59,-3.41,;3.99,-2.8,;5.5,-2.43,;5.25,-.91,;7.03,-2.31,;8.55,-2.48,;8.85,-.96,;10.04,-2.9,;10.57,-1.44,;11.44,-3.54,;10.67,-2.21,;11.46,-.88,;12.99,-.89,;13.75,-2.22,;12.98,-3.55,;12.7,-4.43,;13.81,-5.5,;14.7,-6.76,;15.37,-8.14,;15.81,-9.6,;15.98,-11.14,;17.52,-11.12,;15.89,-12.68,;17.43,-12.91,;18.68,-12.18,;19.87,-13.17,;21.32,-12.63,;22.5,-13.61,;23.94,-13.09,;22.24,-15.12,;15.56,-14.19,;14.96,-15.61,;16.31,-16.31,;16.81,-7.58,;18.01,-8.55,;17.05,-6.05,;18.5,-5.5,;19.69,-6.48,;21.13,-5.92,;22.33,-6.89,;23.76,-6.33,;24.96,-7.3,;26.39,-6.74,;24.72,-8.83,;18.72,-3.98,;20.17,-3.43,;17.54,-3.01,)|
BDBM50030047 N[C@H]1CCCN=C(N)NC(=O)[C@H](N)C2(CCCCC2)SSC[C@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CC(O)=O)NC(=O)CNC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](Cc2c[nH]cn2)NC(=O)CNC1=O)C(=O)N[C@@H](CCCN=C(N)N)C(O)=O |wU:22.88,71.73,1.0,wD:48.50,88.91,37.38,11.11,26.27,60.62,(-3.34,-2.71,;-2.05,-3.54,;-1.1,-2.32,;.01,-1.26,;1.3,-.43,;2.71,.2,;4.21,.55,;3.97,2.09,;5.74,.66,;7.28,.51,;7.56,2.03,;8.76,.1,;8.91,1.67,;10.17,-.54,;9.39,.79,;10.17,2.14,;11.72,2.13,;12.48,.79,;11.72,-.54,;11.43,-1.43,;12.52,-2.5,;13.42,-3.76,;14.09,-5.15,;14.52,-6.63,;14.7,-8.15,;16.24,-8.11,;14.61,-9.69,;16.13,-9.91,;17.39,-9.11,;18.68,-9.95,;20.04,-9.24,;21.34,-10.09,;22.72,-9.39,;21.25,-11.63,;14.26,-11.2,;13.67,-12.61,;15.03,-13.33,;12.85,-13.91,;14.07,-14.85,;15.55,-15.24,;16.63,-14.15,;18.12,-14.54,;18.53,-16.03,;17.44,-17.13,;15.94,-16.74,;11.81,-15.05,;10.59,-16.02,;11.44,-17.29,;9.24,-16.74,;9.85,-18.14,;11.39,-18.33,;12.3,-17.09,;12,-19.74,;7.78,-17.24,;6.26,-17.48,;6.37,-19.01,;4.73,-17.44,;3.21,-17.16,;1.76,-16.63,;1.12,-18.03,;.43,-15.87,;-.46,-17.13,;.19,-18.51,;-.68,-19.79,;-.03,-21.18,;-.9,-22.44,;-.25,-23.83,;-2.44,-22.31,;-.75,-14.89,;-1.75,-13.7,;-3.01,-14.61,;-2.55,-12.39,;-3.94,-13.05,;-4.03,-14.59,;-2.86,-15.59,;-3.44,-17.02,;-4.97,-16.9,;-5.34,-15.4,;-3.1,-10.94,;-3.4,-9.45,;-4.94,-9.61,;-3.44,-7.89,;-3.23,-6.37,;-2.75,-4.91,;-4.18,-4.32,;15.53,-4.6,;16.72,-5.56,;15.78,-3.08,;17.2,-2.52,;18.4,-3.49,;19.85,-2.93,;21.03,-3.89,;22.48,-3.34,;23.68,-4.32,;25.1,-3.76,;23.44,-5.84,;17.44,-1.01,;18.88,-.45,;16.24,-.02,)|
BDBM50030057 COc1ccc(C[C@@H]2NC(=O)[C@H](CC(O)=O)NC(=O)CNC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc3c[nH]cn3)NC(=O)CNC(=O)[C@@H](N)CCCN=C(N)NC(=O)[C@H](N)C3(CCCCC3)SSC[C@H](NC(=O)[C@H](CCCN=C(N)N)NC2=O)C(=O)N[C@@H](CCCN=C(N)N)C(O)=O)cc1 |wU:70.87,48.49,wD:11.11,34.34,88.90,7.6,59.60,74.76,23.23,(14.59,-21.07,;13.37,-20.14,;13.56,-18.6,;14.98,-18.01,;15.18,-16.49,;13.96,-15.55,;14.15,-14.03,;12.93,-13.09,;11.89,-14.24,;10.68,-15.19,;11.52,-16.48,;9.32,-15.92,;9.94,-17.33,;9.54,-18.81,;10.61,-19.89,;8.05,-19.19,;7.87,-16.41,;6.34,-16.65,;6.45,-18.19,;4.8,-16.62,;3.28,-16.35,;1.84,-15.81,;1.19,-17.2,;.51,-15.04,;-.37,-16.31,;.28,-17.7,;-.59,-18.96,;.06,-20.36,;-.83,-21.62,;-.17,-23.01,;-2.36,-21.49,;-.68,-14.06,;-1.68,-12.88,;-2.92,-13.79,;-2.46,-11.57,;-3.85,-12.24,;-3.96,-13.77,;-2.78,-14.76,;-3.36,-16.2,;-4.9,-16.09,;-5.27,-14.59,;-3.02,-10.13,;-3.33,-8.61,;-4.85,-8.79,;-3.36,-7.07,;-3.15,-5.55,;-2.68,-4.09,;-4.1,-3.49,;-1.96,-2.72,;-3.27,-1.89,;-1.03,-1.5,;.1,-.44,;1.39,.4,;2.8,1.02,;4.29,1.38,;4.05,2.91,;5.83,1.49,;7.36,1.33,;7.65,2.85,;8.85,.93,;8.97,2.5,;10.24,.28,;11.78,.27,;12.56,1.59,;11.79,2.94,;10.26,2.94,;9.48,1.6,;11.5,-.61,;12.61,-1.68,;13.5,-2.94,;14.17,-4.32,;14.61,-5.8,;14.78,-7.33,;16.32,-7.29,;14.69,-8.87,;16.22,-9.09,;17.72,-8.26,;18.91,-9.24,;20.35,-8.72,;21.54,-9.71,;22.98,-9.18,;21.27,-11.22,;14.35,-10.37,;13.75,-11.79,;15.11,-12.5,;15.61,-3.78,;16.81,-4.74,;15.85,-2.25,;17.29,-1.69,;18.48,-2.67,;19.93,-2.11,;21.12,-3.07,;22.55,-2.52,;23.76,-3.49,;25.18,-2.93,;23.52,-5.02,;17.52,-.17,;18.96,.38,;16.32,.8,;12.53,-16.15,;12.34,-17.68,)|
BDBM50030060 COc1ccc(C[C@@H]2NC(=O)[C@H](CC(O)=O)NC(=O)CNC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](Cc3c[nH]cn3)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](N)CCCN=C(N)NC(=O)[C@H](N)C3(CCCCC3)SSC[C@H](NC(=O)[C@H](CCCN=C(N)N)NC2=O)C(=O)N[C@@H](CCCN=C(N)N)C(O)=O)cc1 |wU:77.94,34.34,55.56,wD:11.11,95.97,7.6,66.67,44.45,81.83,23.23,(16.47,-21.72,;15.17,-20.91,;15.19,-19.36,;13.88,-18.57,;13.92,-17.02,;15.27,-16.29,;15.28,-14.75,;14.06,-13.8,;13.02,-14.95,;11.82,-15.9,;12.65,-17.19,;10.47,-16.64,;11.08,-18.04,;10.67,-19.53,;11.75,-20.61,;9.19,-19.91,;9,-17.12,;7.48,-17.36,;7.58,-18.9,;5.93,-17.34,;4.43,-17.06,;2.97,-16.52,;2.32,-17.92,;1.63,-15.75,;.76,-17.02,;1.41,-18.41,;.54,-19.68,;1.19,-21.08,;.3,-22.34,;.96,-23.73,;-1.22,-22.21,;.46,-14.77,;-.56,-13.6,;-1.8,-14.51,;-1.33,-12.28,;-2.74,-12.95,;-2.83,-14.49,;-1.65,-15.47,;-2.22,-16.91,;-3.76,-16.8,;-4.13,-15.3,;-1.89,-10.84,;-2.19,-9.32,;-3.72,-9.5,;-2.24,-7.78,;-3.78,-7.69,;-4.46,-6.3,;-6,-6.23,;-6.72,-4.85,;-5.87,-3.58,;-6.56,-2.19,;-4.32,-3.66,;-2.02,-6.26,;-1.56,-4.8,;-2.96,-4.19,;-.83,-3.43,;-2.13,-2.6,;.09,-2.2,;1.22,-1.15,;2.52,-.3,;3.93,.31,;5.43,.68,;5.19,2.2,;6.97,.79,;8.5,.63,;8.78,2.15,;9.98,.22,;10.52,1.67,;11.37,-.43,;10.6,.9,;11.38,2.24,;12.92,2.22,;13.68,.89,;12.91,-.43,;12.63,-1.32,;13.75,-2.39,;14.63,-3.65,;15.31,-5.03,;15.75,-6.51,;15.91,-8.04,;17.45,-8,;15.84,-9.58,;17.36,-9.8,;18.69,-9.02,;19.85,-10.04,;21.3,-9.56,;22.45,-10.58,;23.92,-10.08,;22.14,-12.08,;15.49,-11.08,;14.89,-12.5,;16.26,-13.21,;16.75,-4.48,;17.95,-5.45,;16.99,-2.95,;18.43,-2.4,;19.64,-3.37,;21.06,-2.82,;22.27,-3.78,;23.69,-3.22,;24.9,-4.19,;26.34,-3.64,;24.66,-5.72,;18.67,-.88,;20.1,-.32,;17.47,.09,;16.59,-17.1,;16.55,-18.62,)|
BDBM50030065 [H][C@@]12[#6]-[#6]-[#6]-[#7]1-[#6](=O)-[#6@@H](-[#6]-[#6](-[#7])=O)-[#7]-[#6](=O)-[#6@H](-[#6]-[#16]-[#16]-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]-[#7]-[#6](-[#7])=O)-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccc(-[#8]-[#6])cc1)-[#7]-[#6](=O)-[#6@@H](-[#6]-[#6](-[#8])=O)-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6]2=O)-[#6](-[#7])=O)-[#7]-[#6](-[#6])=O
BDBM50030061 [H][C@@]12[#6]-[#6]-[#6]-[#7]1-[#6](=O)-[#6@@H](-[#6]-[#6](-[#7])=O)-[#7]-[#6](=O)-[#6@H](-[#6]-[#16]-[#16]-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6])-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccc(-[#8]-[#6])cc1)-[#7]-[#6](=O)-[#6@@H](-[#6]-[#6](-[#8])=O)-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6]2=O)-[#6](-[#7])=O)-[#7]-[#6](-[#6])=O
BDBM50030041 [H][C@]12[#6]-[#6]-[#6]-[#7]1-[#6](=O)-[#6@H](-[#6]-[#6](-[#7])=O)-[#7]-[#6](=O)-[#6@H](-[#6]-[#16]-[#16]-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6@@H](-[#6]-c1ccc(-[#8]-[#6]-[#6])cc1)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#8])=O)-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6]2=O)-[#6](-[#7])=O)-[#7]-[#6](-[#6])=O
BDBM50030055 COc1ccc(C[C@@H]2NC(=O)[C@H](CC(O)=O)NC(=O)CNC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](Cc3c[nH]cn3)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](N)CCCN=C(N)NC(=O)[C@H](N)C3(CCCCC3)SSC[C@H](NC(=O)[C@H](CCCN=C(N)N)NC2=O)C(=O)N[C@@H](CCCN=C(N)N)C(O)=O)cc1 |wU:74.91,34.34,52.53,wD:44.45,11.11,92.94,7.6,63.64,78.80,23.23,(17.61,-21.38,;16.31,-20.56,;16.35,-19.01,;15.04,-18.21,;15.09,-16.68,;16.44,-15.94,;16.45,-14.4,;15.23,-13.46,;14.2,-14.6,;12.98,-15.57,;13.83,-16.84,;11.62,-16.29,;12.24,-17.69,;11.85,-19.18,;12.93,-20.27,;10.35,-19.56,;10.17,-16.79,;8.64,-17.03,;8.75,-18.56,;7.11,-16.99,;5.59,-16.71,;4.13,-16.18,;3.5,-17.58,;2.81,-15.42,;1.93,-16.68,;2.59,-18.06,;1.7,-19.34,;2.36,-20.73,;1.48,-21.99,;2.13,-23.38,;-.06,-21.86,;1.63,-14.44,;.63,-13.25,;-.62,-14.16,;-.16,-11.94,;-1.55,-12.6,;-1.65,-14.14,;-.48,-15.14,;-1.06,-16.57,;-2.59,-16.45,;-2.96,-14.96,;-.72,-10.49,;-1.02,-9,;-2.55,-9.16,;-1.06,-7.44,;-2.6,-7.37,;-3.29,-5.98,;-4.83,-5.9,;-2.9,-4.48,;-.85,-5.92,;-.37,-4.46,;-1.8,-3.87,;.34,-3.09,;-.96,-2.28,;1.28,-1.87,;2.41,-.81,;3.68,.02,;5.1,.65,;6.6,1,;6.35,2.54,;8.13,1.11,;9.66,.96,;9.95,2.48,;11.15,.56,;11.28,1.99,;12.55,-.09,;14.09,-.1,;14.87,1.23,;14.1,2.57,;12.56,2.58,;11.78,1.24,;13.81,-.98,;14.9,-2.05,;15.81,-3.31,;16.46,-4.7,;16.9,-6.18,;17.08,-7.7,;18.62,-7.66,;16.99,-9.24,;18.52,-9.46,;19.93,-8.53,;21.31,-9.2,;22.59,-8.35,;23.98,-9.03,;25.25,-8.16,;24.08,-10.57,;16.65,-10.75,;16.03,-12.16,;17.42,-12.88,;17.92,-4.15,;19.11,-5.11,;18.16,-2.63,;19.59,-2.07,;20.79,-3.04,;22.23,-2.48,;23.42,-3.44,;24.86,-2.89,;26.06,-3.87,;27.49,-3.31,;25.82,-5.39,;19.82,-.56,;21.27,,;18.63,.43,;17.76,-16.75,;17.7,-18.29,)|
BDBM50030074 [H][C@@]12[#6]-[#6]-[#6]-[#7]1-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@@H](-[#7])-[#6]-[#6]-[#6]-[#7]=[#6](-[#7])-[#7]-[#6](=O)-[#6@H](-[#7])C1([#6]-[#6]-[#6]-[#6]-[#6]1)[#16]-[#16]-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccc(-[#8]-[#6])cc1)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#8])=O)-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6]2=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](-[#8])=O
BDBM50030075 COc1ccc(C[C@@H]2NC(=O)[C@H](CC(O)=O)NC(=O)CNC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](Cc3c[nH]cn3)NC(=O)[C@H](CO)NC(=O)[C@@H](N)CCCN=C(N)NC(=O)[C@H](N)C3(CCCCC3)SSC[C@H](NC(=O)[C@H](CCCN=C(N)N)NC2=O)C(=O)N[C@@H](CCCN=C(N)N)C(O)=O)cc1 |wU:72.89,34.34,50.51,wD:11.11,90.92,7.6,61.62,44.45,76.78,23.23,(19.18,-21.75,;17.72,-21.29,;17.38,-19.79,;15.9,-19.33,;15.59,-17.83,;16.72,-16.77,;16.33,-15.29,;15.09,-14.35,;14.07,-15.5,;12.85,-16.44,;13.7,-17.73,;11.5,-17.18,;12.11,-18.59,;11.7,-20.07,;12.79,-21.14,;10.22,-20.46,;10.04,-17.66,;8.52,-17.9,;8.63,-19.44,;6.98,-17.88,;5.47,-17.61,;4.02,-17.07,;3.37,-18.46,;2.69,-16.29,;1.82,-17.57,;2.47,-18.96,;1.58,-20.21,;2.25,-21.62,;1.36,-22.88,;2,-24.27,;-.18,-22.75,;1.51,-15.31,;.51,-14.14,;-.75,-15.05,;-.29,-12.83,;-1.66,-13.5,;-2.84,-14.88,;-4.34,-14.51,;-5.16,-15.83,;-4.16,-17.01,;-2.73,-16.4,;-.85,-11.39,;-1.14,-9.87,;-2.68,-10.05,;-1.18,-8.33,;-2.71,-8.24,;-3.42,-6.87,;-.97,-6.82,;-.49,-5.35,;-1.92,-4.74,;.21,-3.98,;-1.09,-3.15,;1.15,-2.76,;2.28,-1.71,;3.56,-.86,;4.98,-.25,;6.46,.12,;6.24,1.64,;8,.23,;9.54,.07,;9.81,1.59,;11.02,-.34,;11.09,1.25,;12.42,-.99,;13.96,-.99,;14.74,.35,;13.96,1.68,;12.42,1.68,;11.65,.35,;13.68,-1.88,;14.77,-2.95,;15.68,-4.21,;16.35,-5.58,;16.77,-7.06,;16.96,-8.59,;18.49,-8.56,;16.87,-10.13,;18.4,-10.35,;19.36,-9.22,;20.77,-9.83,;22.01,-8.93,;23.42,-9.56,;24.66,-8.63,;23.58,-11.07,;16.51,-11.63,;15.92,-13.05,;17.29,-13.76,;17.79,-5.04,;18.99,-6,;18.03,-3.5,;19.46,-2.95,;20.66,-3.93,;22.1,-3.37,;23.29,-4.34,;24.73,-3.78,;25.93,-4.74,;27.36,-4.19,;25.69,-6.28,;19.7,-1.43,;21.14,-.88,;18.51,-.47,;18.18,-17.24,;18.51,-18.75,)|
BDBM50030053 COc1ccc(C[C@@H]2NC(=O)[C@H](CC(O)=O)NC(=O)CNC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](Cc3c[nH]cn3)NC(=O)CNC(=O)[C@@H](N)CCCN=C(N)NC(=O)[C@H](N)C3(CCCCC3)SSC[C@H](NC(=O)[C@H](CCCN=C(N)N)NC2=O)C(=O)N[C@@H](CCCN=C(N)N)C(O)=O)cc1 |wU:70.87,34.34,48.49,wD:11.11,88.90,7.6,59.60,74.76,23.23,(21.94,-12.33,;21.17,-13.66,;19.62,-13.66,;18.86,-15,;17.32,-14.99,;16.55,-13.66,;15,-13.66,;13.78,-12.72,;12.74,-13.87,;11.52,-14.83,;12.37,-16.11,;10.17,-15.55,;10.78,-16.96,;12.31,-17.14,;13.24,-15.9,;12.92,-18.55,;8.7,-16.05,;7.19,-16.29,;7.3,-17.83,;5.65,-16.26,;4.13,-15.98,;2.69,-15.44,;2.04,-16.85,;1.36,-14.68,;.49,-15.94,;1.14,-17.33,;.25,-18.61,;.91,-19.99,;.02,-21.25,;.67,-22.64,;-1.51,-21.12,;.17,-13.7,;-.83,-12.52,;-2.09,-13.42,;-1.62,-11.2,;-2.99,-11.87,;-3.1,-13.41,;-1.94,-14.4,;-2.51,-15.83,;-4.05,-15.72,;-4.42,-14.22,;-2.16,-9.76,;-2.47,-8.26,;-4.01,-8.43,;-2.51,-6.71,;-2.29,-5.19,;-1.83,-3.73,;-3.25,-3.13,;-1.12,-2.36,;-2.42,-1.54,;-.18,-1.14,;.95,-.08,;2.23,.75,;3.65,1.38,;5.13,1.73,;4.91,3.27,;6.67,1.84,;8.21,1.7,;8.48,3.21,;9.69,1.29,;9.8,2.7,;11.09,.64,;12.64,.64,;13.41,1.97,;12.65,3.33,;11.09,3.33,;10.31,1.98,;12.35,-.25,;13.44,-1.32,;14.35,-2.58,;15.02,-3.97,;15.44,-5.45,;15.63,-6.97,;17.16,-6.93,;15.53,-8.5,;17.07,-8.72,;18.27,-7.65,;19.74,-8.14,;20.9,-7.13,;22.36,-7.63,;23.51,-6.63,;22.64,-9.15,;15.18,-10.02,;14.59,-11.43,;15.96,-12.15,;16.46,-3.41,;17.66,-4.37,;16.7,-1.89,;18.12,-1.34,;19.33,-2.3,;20.75,-1.75,;21.96,-2.71,;23.4,-2.15,;24.6,-3.13,;26.03,-2.58,;24.36,-4.65,;18.37,.18,;19.81,.73,;17.18,1.16,;17.33,-12.33,;18.86,-12.33,)|
BDBM50030056 CC(C)C[C@H]1NC(=O)[C@H](CC(O)=O)NC(=O)CNC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](Cc2c[nH]cn2)NC(=O)CNC(=O)[C@@H](N)CCCN=C(N)NC(=O)[C@H](N)C2(CCCC2)SSC[C@H](NC(=O)[C@H](CCCN=C(N)N)NC1=O)C(=O)N[C@@H](CCCN=C(N)N)C(O)=O |wU:66.83,31.31,4.3,45.46,wD:8.8,84.86,56.57,70.72,20.20,(17.54,-15.06,;16.31,-14.11,;16.52,-12.59,;14.89,-14.72,;13.67,-13.78,;12.63,-14.91,;11.43,-15.87,;12.28,-17.17,;10.08,-16.61,;10.69,-18.02,;12.22,-18.18,;13.13,-16.94,;12.83,-19.61,;8.61,-17.09,;7.1,-17.33,;7.21,-18.87,;5.54,-17.31,;4.04,-17.04,;2.6,-16.5,;1.93,-17.89,;1.27,-15.72,;.38,-17,;1.02,-18.39,;.15,-19.65,;.8,-21.05,;-.07,-22.31,;.58,-23.7,;-1.6,-22.18,;.08,-14.74,;-.92,-13.57,;-2.18,-14.46,;-1.72,-12.26,;-3.1,-12.93,;-3.21,-14.46,;-2.03,-15.44,;-2.6,-16.89,;-4.14,-16.78,;-4.51,-15.28,;-2.27,-10.82,;-2.57,-9.3,;-4.1,-9.48,;-2.62,-7.76,;-2.4,-6.24,;-1.94,-4.78,;-3.34,-4.17,;-1.22,-3.41,;-2.51,-2.58,;-.29,-2.19,;.84,-1.14,;2.14,-.28,;3.54,.33,;5.04,.7,;4.8,2.22,;6.58,.81,;8.11,.64,;8.39,2.16,;9.6,.23,;10.13,1.68,;10.98,-.41,;10.35,.99,;11.5,2.02,;12.83,1.25,;12.52,-.25,;12.26,-1.3,;13.35,-2.38,;14.24,-3.63,;14.93,-5,;15.35,-6.49,;15.52,-8.02,;17.06,-7.98,;15.44,-9.56,;16.96,-9.78,;18.35,-9.15,;19.35,-10.32,;20.85,-10,;21.89,-11.17,;23.39,-10.87,;21.37,-12.63,;15.09,-11.06,;14.5,-12.48,;15.87,-13.19,;16.35,-4.47,;17.55,-5.43,;16.59,-2.93,;18.04,-2.38,;19.24,-3.36,;20.66,-2.8,;21.87,-3.76,;23.31,-3.21,;24.5,-4.17,;25.94,-3.62,;24.26,-5.71,;18.28,-.86,;19.7,-.3,;17.07,.1,)|
BDBM50030054 [H][C@@]12[#6]-[#6]-[#6]-[#7]1-[#6](=O)-[#6@@H](-[#6]-[#6](-[#7])=O)-[#7]-[#6](=O)-[#6@H](-[#6]-[#16]-[#16]-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccc(-[#8]-[#6])cc1)-[#7]-[#6](=O)-[#6@@H](-[#6]-[#6](-[#8])=O)-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6]2=O)-[#6](-[#7])=O)-[#7]-[#6](-[#6])=O
BDBM50030071 [H][C@@]12[#6]-[#6]-[#6]-[#7]1-[#6](=O)-[#6@@H](-[#6]-[#6](-[#7])=O)-[#7]-[#6](=O)-[#6@H](-[#6]-[#16]-[#16]-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccc(-[#8]-[#6]-[#6]-[#6]-[#6])cc1)-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccc(-[#8]-[#6])cc1)-[#7]-[#6](=O)-[#6@@H](-[#6]-[#6](-[#8])=O)-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6]2=O)-[#6](-[#7])=O)-[#7]-[#6](-[#6])=O
BDBM50030070 N[C@H]1CCCN=C(N)NC(=O)[C@H](N)C2(CCCCC2)SSC[C@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CCc2ccccc2)NC(=O)[C@H](CC(O)=O)NC(=O)CNC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](Cc2c[nH]cn2)NC(=O)CNC1=O)C(=O)N[C@@H](CCCN=C(N)N)C(O)=O |wU:22.89,72.74,1.0,wD:49.51,89.92,37.38,11.11,26.27,61.63,(-3.27,-3.25,;-1.96,-4.07,;-1.03,-2.85,;.1,-1.8,;1.39,-.95,;2.8,-.32,;4.3,.03,;4.06,1.55,;5.84,.14,;7.35,-.02,;7.65,1.5,;8.85,-.43,;8.87,1.07,;10.24,-1.06,;11.78,-1.07,;12.54,.25,;11.79,1.59,;10.25,1.59,;9.48,.26,;11.5,-1.96,;12.61,-3.04,;13.5,-4.29,;14.17,-5.67,;14.61,-7.15,;14.78,-8.67,;16.31,-8.64,;14.68,-10.22,;16.22,-10.44,;17.27,-9.46,;18.61,-10.2,;19.94,-9.45,;21.27,-10.2,;22.61,-9.43,;21.27,-11.75,;14.35,-11.72,;13.76,-13.14,;15.11,-13.85,;12.93,-14.44,;14.15,-15.38,;13.96,-16.9,;15.18,-17.84,;16.61,-17.24,;17.83,-18.16,;17.63,-19.7,;16.2,-20.29,;14.98,-19.36,;11.89,-15.58,;10.69,-16.53,;11.52,-17.82,;9.32,-17.27,;9.95,-18.68,;11.46,-18.85,;12.39,-17.62,;12.07,-20.27,;7.87,-17.76,;6.34,-18,;6.45,-19.53,;4.8,-17.97,;3.28,-17.69,;1.84,-17.16,;1.19,-18.55,;.51,-16.39,;-.36,-17.66,;.28,-19.05,;-.59,-20.31,;.06,-21.71,;-.83,-22.97,;-.16,-24.36,;-2.36,-22.84,;-.68,-15.41,;-1.68,-14.23,;-2.92,-15.14,;-2.46,-12.92,;-3.84,-13.59,;-3.95,-15.12,;-2.77,-16.11,;-3.36,-17.55,;-4.9,-17.44,;-5.27,-15.94,;-3.01,-11.48,;-3.33,-9.96,;-4.84,-10.14,;-3.36,-8.42,;-3.14,-6.9,;-2.68,-5.44,;-4.1,-4.84,;15.61,-5.13,;16.81,-6.09,;15.85,-3.6,;17.29,-3.04,;18.48,-4.02,;19.92,-3.46,;21.12,-4.42,;22.55,-3.87,;23.75,-4.84,;25.18,-4.28,;23.51,-6.37,;17.52,-1.52,;18.96,-.97,;16.33,-.56,)|
BDBM50030037 N[C@H]1CCCN=C(N)NC(=O)[C@H](N)C2(CCCCC2)SSC[C@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](NC(=O)[C@H](CC(O)=O)NC(=O)CNC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](Cc2c[nH]cn2)NC(=O)CNC1=O)c1ccccc1)C(=O)N[C@@H](CCCN=C(N)N)C(O)=O |wU:22.87,64.65,1.0,wD:41.42,87.90,37.80,11.11,26.27,53.54,(-.85,-3.75,;.46,-4.58,;1.39,-3.36,;2.52,-2.3,;3.8,-1.45,;5.22,-.84,;6.72,-.47,;6.48,1.05,;8.26,-.36,;9.79,-.52,;10.08,.99,;11.28,-.93,;11.51,.56,;12.67,-1.58,;14.21,-1.58,;14.97,-.27,;14.21,1.07,;12.67,1.07,;11.9,-.25,;13.93,-2.47,;15.03,-3.54,;15.93,-4.8,;16.6,-6.17,;17.04,-7.66,;17.21,-9.19,;18.74,-9.16,;17.12,-10.73,;18.65,-10.95,;19.85,-10.1,;21.23,-10.8,;22.52,-10.01,;23.87,-10.71,;25.19,-9.9,;23.93,-12.27,;16.78,-12.23,;16.18,-13.66,;17.55,-14.36,;15.35,-14.95,;14.32,-16.1,;13.1,-17.05,;13.95,-18.34,;11.75,-17.79,;12.36,-19.19,;13.89,-19.36,;14.82,-18.14,;14.51,-20.79,;10.29,-18.27,;8.77,-18.51,;8.87,-20.05,;7.22,-18.49,;5.71,-18.21,;4.27,-17.68,;3.61,-19.06,;2.93,-16.9,;2.06,-18.18,;2.7,-19.56,;1.82,-20.82,;2.48,-22.23,;1.6,-23.49,;2.26,-24.88,;.06,-23.36,;1.75,-15.92,;.74,-14.75,;-.5,-15.66,;-.05,-13.43,;-1.43,-14.1,;-1.54,-15.64,;-.36,-16.62,;-.94,-18.06,;-2.48,-17.95,;-2.85,-16.45,;-.59,-11.99,;-.9,-10.47,;-2.43,-10.66,;-.94,-8.93,;-.72,-7.41,;-.26,-5.95,;-1.68,-5.34,;16.58,-15.9,;16.38,-17.42,;17.61,-18.36,;19.03,-17.75,;19.23,-16.23,;18,-15.29,;18.04,-5.64,;19.24,-6.6,;18.28,-4.1,;19.71,-3.54,;20.92,-4.53,;22.36,-3.97,;23.56,-4.93,;24.99,-4.38,;26.19,-5.34,;27.63,-4.78,;25.95,-6.88,;19.95,-2.03,;21.39,-1.47,;18.76,-1.06,)|
BDBM50030033 [H][C@]12[#6]-[#6]-[#6]-[#7]1-[#6](=O)-[#6@H](-[#6]-[#6](-[#7])=O)-[#7]-[#6](=O)-[#6@H](-[#6]-[#16]-[#16]-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6@@H](-[#6]-c1ccc(cc1)-[#7+](-[#8-])=O)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#8])=O)-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6]2=O)-[#6](-[#7])=O)-[#7]-[#6](-[#6])=O
BDBM50030040 [H][C@@]12[#6]-[#6]-[#6]-[#7]1-[#6](=O)-[#6@@H](-[#6]-[#6](-[#7])=O)-[#7]-[#6](=O)-[#6@@H](-[#6]-[#16]-[#16]-[#6]-[#6@@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6](-[#8])=O)-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccc(-[#8]-[#6])cc1)-[#7]-[#6](=O)-[#6@@H](-[#6]-[#6](-[#8])=O)-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6]2=O)-[#6](-[#7])=O)-[#7]-[#6](-[#6])=O
BDBM50030042 CC(C)[C@H]1NC(=O)[C@H](CC(O)=O)NC(=O)CNC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](Cc2c[nH]cn2)NC(=O)CNC(=O)[C@@H](N)CCCN=C(N)NC(=O)[C@H](N)C2(CCCCC2)SSC[C@H](NC(=O)[C@H](CCCN=C(N)N)NC1=O)C(=O)N[C@@H](CCCN=C(N)N)C(O)=O |wU:66.83,30.30,3.2,44.45,wD:7.7,84.86,55.56,70.72,19.19,(11.97,-15.69,;12.16,-14.18,;13.58,-13.57,;10.94,-13.23,;9.9,-14.38,;8.7,-15.33,;9.53,-16.62,;7.33,-16.06,;7.96,-17.47,;9.48,-17.64,;10.4,-16.42,;10.09,-19.06,;5.89,-16.55,;4.35,-16.79,;4.46,-18.33,;2.81,-16.77,;1.3,-16.49,;-.15,-15.95,;-.8,-17.35,;-1.48,-15.18,;-2.35,-16.45,;-1.7,-17.84,;-2.57,-19.11,;-1.92,-20.51,;-2.83,-21.76,;-2.15,-23.15,;-4.35,-21.64,;-2.67,-14.2,;-3.66,-13.03,;-4.9,-13.94,;-4.44,-11.72,;-5.83,-12.38,;-5.95,-13.92,;-4.76,-14.9,;-5.35,-16.34,;-6.9,-16.23,;-7.27,-14.73,;-5,-10.27,;-5.31,-8.76,;-6.83,-8.94,;-5.35,-7.22,;-5.13,-5.7,;-4.66,-4.24,;-6.09,-3.63,;-3.94,-2.87,;-5.26,-2.04,;-3.02,-1.65,;-1.89,-.59,;-.59,.25,;.81,.88,;2.31,1.23,;2.07,2.76,;3.85,1.34,;5.37,1.18,;5.66,2.7,;6.87,.79,;6.93,2.36,;8.25,.13,;9.8,.12,;10.57,1.44,;9.82,2.78,;8.28,2.79,;7.5,1.46,;9.51,-.76,;10.62,-1.83,;11.51,-3.09,;12.18,-4.47,;12.62,-5.95,;12.79,-7.48,;14.32,-7.44,;12.7,-9.01,;14.23,-9.24,;15.55,-8.64,;16.71,-9.65,;18.17,-9.19,;19.32,-10.2,;20.78,-9.72,;19.01,-11.72,;12.36,-10.52,;11.77,-11.94,;13.12,-12.65,;13.62,-3.92,;14.82,-4.89,;13.86,-2.39,;15.29,-1.84,;16.49,-2.81,;17.93,-2.26,;19.14,-3.22,;20.56,-2.67,;21.76,-3.63,;23.19,-3.08,;21.52,-5.16,;15.53,-.32,;16.97,.23,;14.34,.65,)|
BDBM50030038 COc1ccc(C[C@@H]2NC(=O)[C@@H](CC(O)=O)NC(=O)CNC(=O)[C@@H](CCCN=C(N)N)NC(=O)[C@H](Cc3c[nH]cn3)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](N)CCCN=C(N)NC(=O)[C@H](N)C3(CCCCC3)SSC[C@H](NC(=O)[C@@H](CCCN=C(N)N)NC2=O)C(=O)N[C@@H](CCCN=C(N)N)C(O)=O)cc1 |wU:44.45,34.34,7.6,63.64,52.53,wD:74.91,11.11,92.94,78.80,23.23,(16.26,5.77,;17.15,4.51,;16.51,3.12,;14.98,2.97,;14.33,1.57,;15.22,.33,;14.46,-1.01,;13.24,-1.95,;12.21,-.8,;10.98,.14,;11.83,1.44,;9.63,.88,;10.24,2.31,;11.78,2.46,;12.39,3.87,;12.69,1.23,;8.17,1.36,;6.65,1.62,;6.76,3.14,;5.12,1.59,;3.6,1.31,;2.15,.79,;1.51,2.18,;.82,-.01,;-.07,1.27,;.6,2.68,;-.29,3.92,;.38,5.31,;1.89,5.44,;2.56,6.84,;2.78,4.18,;-.36,-.99,;-1.36,-2.15,;-2.62,-1.25,;-2.16,-3.47,;-3.55,-2.8,;-3.64,-1.27,;-2.47,-.27,;-3.05,1.16,;-4.58,1.05,;-4.95,-.45,;-2.71,-4.91,;-3.01,-6.43,;-4.55,-6.24,;-3.05,-7.97,;-4.58,-8.06,;-5.29,-9.43,;-6.82,-9.52,;-4.44,-10.71,;-2.84,-9.48,;-2.36,-10.95,;-3.79,-11.54,;-1.66,-12.32,;-2.96,-13.15,;-.72,-13.54,;.41,-14.59,;1.69,-15.44,;3.12,-16.06,;4.6,-16.43,;4.36,-17.94,;6.13,-16.54,;7.67,-16.37,;7.95,-17.89,;9.15,-15.96,;9.1,-17.4,;10.56,-15.32,;9.77,-16.65,;10.54,-17.98,;12.09,-18,;12.87,-16.66,;12.11,-15.31,;11.82,-14.43,;12.91,-13.35,;13.82,-12.09,;14.48,-10.71,;14.91,-9.24,;15.09,-7.71,;16.63,-7.74,;15,-6.17,;16.52,-5.95,;17.6,-4.86,;19.07,-5.24,;20.04,-4.06,;21.57,-4.28,;22.52,-3.08,;22.12,-5.71,;14.65,-4.67,;14.06,-3.25,;15.43,-2.54,;15.93,-11.26,;16.17,-12.8,;17.11,-10.3,;18.55,-10.85,;18.8,-12.37,;20.24,-12.93,;20.46,-14.45,;21.91,-15,;22.15,-16.54,;23.57,-17.07,;20.94,-17.5,;19.76,-9.89,;21.18,-10.45,;19.52,-8.37,;16.75,.46,;17.39,1.86,)|
BDBM50030031 [H][C@]12[#6]-[#6]-[#6]-[#7]1-[#6](=O)-[#6@H](-[#6]-[#6](-[#7])=O)-[#7]-[#6](=O)-[#6@@H](-[#7]-[#6](-[#6])=O)C1([#6]-[#6]-[#6]-[#6]-[#6]1)[#16]-[#16]-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6@@H](-[#6]-c1ccc(-[#8]-[#6])cc1)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#8])=O)-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6]2=O)-[#6](-[#7])=O
BDBM50030045 [H][C@]12[#6]-[#6]-[#6]-[#7]1-[#6](=O)-[#6@H](-[#6]-[#6](-[#7])=O)-[#7]-[#6](=O)-[#6@H](-[#6]-[#16]-[#16]-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#6])-[#6])-[#7]-[#6](=O)-[#6@@H](-[#6]-c1ccc(-[#8]-[#6])cc1)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#8])=O)-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6]2=O)-[#6](-[#7])=O)-[#7]-[#6](-[#6])=O
BDBM50030035 [H][C@]12[#6]-[#6]-[#6]-[#7]1-[#6](=O)-[#6@H](-[#6]-[#6](-[#7])=O)-[#7]-[#6](=O)-[#6@H](-[#6]-[#16]-[#16]-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6@@H](-[#6]-c1ccc(-[#8]-[#6])cc1)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#8])=O)-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6]2=O)-[#6](-[#7])=O)-[#7]-[#6](-[#6])=O
BDBM50030051 N[C@H]1CCCN=C(N)NC(=O)C(N)C2(CCCCC2)SSC[C@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CC(O)=O)NC(=O)CNC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](Cc2c[nH]cn2)NC(=O)CNC1=O)C(=O)N[C@@H](CCCN=C(N)N)C(O)=O |wU:22.89,72.74,1.0,wD:49.51,89.92,37.38,26.27,61.63,(-1.96,-3.24,;-.67,-4.05,;.28,-2.83,;1.41,-1.78,;2.7,-.94,;4.11,-.31,;5.61,.04,;5.37,1.57,;7.15,.15,;8.66,,;8.96,1.52,;10.16,-.41,;10.17,1.03,;11.55,-1.06,;10.78,.27,;11.56,1.6,;13.09,1.59,;13.85,.26,;13.08,-1.06,;12.81,-1.94,;13.92,-3.02,;14.81,-4.28,;15.48,-5.66,;15.92,-7.15,;16.09,-8.66,;17.62,-8.63,;15.99,-10.2,;17.53,-10.42,;18.55,-9.47,;19.99,-9.98,;21.16,-9,;22.62,-9.51,;23.79,-8.52,;22.89,-11.03,;15.66,-11.72,;15.07,-13.12,;16.42,-13.85,;14.24,-14.42,;15.46,-15.36,;16.99,-15.36,;17.49,-13.9,;18.99,-13.59,;20.01,-14.75,;21.53,-14.43,;19.54,-16.22,;18.03,-16.52,;13.2,-15.57,;12,-16.53,;12.83,-17.8,;10.63,-17.25,;11.25,-18.66,;12.77,-18.84,;13.7,-17.6,;13.38,-20.25,;9.18,-17.75,;7.65,-17.98,;7.76,-19.53,;6.11,-17.96,;4.59,-17.68,;3.15,-17.14,;2.5,-18.54,;1.81,-16.38,;.94,-17.64,;1.59,-19.03,;.72,-20.31,;1.37,-21.7,;.48,-22.95,;1.15,-24.34,;-1.06,-22.82,;.63,-15.4,;-.37,-14.22,;-1.61,-15.12,;-1.15,-12.9,;-2.54,-13.57,;-2.65,-15.11,;-1.46,-16.1,;-2.05,-17.53,;-3.59,-17.42,;-3.96,-15.92,;-1.7,-11.46,;-2.02,-9.96,;-3.54,-10.13,;-2.05,-8.4,;-1.83,-6.89,;-1.37,-5.42,;-2.8,-4.83,;16.92,-5.11,;18.12,-6.07,;17.16,-3.59,;18.6,-3.04,;19.79,-4,;21.23,-3.44,;22.44,-4.41,;23.86,-3.85,;25.06,-4.83,;26.51,-4.28,;24.82,-6.35,;18.83,-1.52,;20.27,-.96,;17.64,-.54,)|
BDBM50030030 CC(C)C[C@@H]1NC(=O)[C@@H](CC(O)=O)NC(=O)CNC(=O)[C@@H](CCCN=C(N)N)NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)CNC(=O)[C@H](N)CCCN=C(N)NC(=O)[C@H](N)C(C)(C)SSC[C@H](NC(=O)[C@@H](CCCN=C(N)N)NC1=O)C(=O)N[C@@H](CCCN=C(N)N)C(O)=O |wU:31.31,4.3,56.57,45.46,wD:64.80,8.8,82.83,68.69,20.20,(12.78,-1.91,;12.14,-.51,;13.05,.74,;10.61,-.36,;9.72,-1.61,;8.39,-.82,;6.96,-.27,;7.39,1.22,;5.44,.04,;5.63,1.57,;7.03,2.18,;7.21,3.71,;8.51,1.79,;3.91,.09,;2.39,-.14,;2.04,1.36,;.91,-.61,;-.44,-1.32,;-1.68,-2.25,;-2.7,-1.11,;-2.73,-3.38,;-3.94,-2.43,;-3.72,-.91,;-4.92,.05,;-4.71,1.57,;-3.29,2.14,;-3.07,3.68,;-2.07,1.2,;-3.57,-4.67,;-4.18,-6.08,;-5.65,-5.59,;-4.55,-7.58,;-6.07,-7.34,;-6.63,-5.89,;-5.79,-4.61,;-6.76,-3.41,;-8.2,-3.97,;-8.11,-5.5,;-4.66,-9.11,;-4.51,-10.64,;-6.02,-10.93,;-4.09,-12.13,;-3.44,-13.52,;-2.57,-14.79,;-3.75,-15.77,;-1.48,-15.88,;-2.48,-17.05,;-.23,-16.78,;1.15,-17.45,;2.63,-17.89,;4.16,-18.05,;5.7,-17.97,;5.92,-19.5,;7.2,-17.63,;8.63,-17.04,;9.34,-18.4,;9.92,-16.2,;10.85,-17.42,;11.07,-15.17,;11.51,-16.65,;12.57,-15.52,;12.01,-13.96,;12.74,-12.61,;13.23,-11.15,;13.48,-9.63,;13.46,-8.09,;13.18,-6.57,;14.66,-6.16,;12.64,-5.13,;14.03,-4.47,;14.43,-2.98,;15.91,-2.58,;16.33,-1.1,;17.83,-.75,;18.28,.73,;18.89,-1.86,;11.87,-3.79,;10.88,-2.61,;11.98,-1.52,;15.01,-9.74,;15.68,-11.11,;15.88,-8.46,;17.42,-8.57,;18.08,-9.95,;19.62,-10.06,;20.29,-11.45,;21.83,-11.56,;22.51,-12.94,;24.04,-13.05,;21.64,-14.22,;18.27,-7.29,;19.81,-7.4,;17.6,-5.9,)|
BDBM50030052 [#6]-[#8]-c1ccc(-[#6]-[#6@@H]-2-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#8])=O)-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-c3ccc(-[#8])cc3)-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@@H](-[#7])-[#6]-[#6]-[#6]-[#7]=[#6](-[#7])-[#7]-[#6](=O)-[#6@H](-[#7])C3([#6]-[#6]-[#6]-[#6]-[#6]3)[#16]-[#16]-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6]-2=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](-[#8])=O)cc1
BDBM50030043 N[C@H]1CCCN=C(N)NC(=O)[C@H](N)C2(CCCCC2)SSC[C@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CC(O)=O)NC(=O)CNC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](Cc2c[nH]cn2)NC(=O)CNC1=O)C(=O)N[C@@H](CCCN=C(N)N)C(O)=O |wU:22.93,75.78,1.0,wD:52.55,92.96,37.38,11.11,26.27,64.67,(-2.74,-1.35,;-1.44,-2.17,;-.51,-.95,;.62,.1,;1.9,.95,;3.32,1.57,;4.82,1.93,;4.58,3.46,;6.36,2.04,;7.9,1.88,;8.18,3.4,;9.38,1.48,;9.25,2.92,;10.77,.83,;12.31,.82,;13.07,2.14,;12.32,3.48,;10.79,3.48,;10.01,2.15,;12.03,-.06,;13.15,-1.14,;14.04,-2.4,;14.72,-3.78,;15.15,-5.26,;15.31,-6.79,;16.85,-6.75,;15.24,-8.33,;16.76,-8.55,;17.87,-7.52,;19.28,-8.15,;20.52,-7.27,;21.92,-7.91,;23.19,-7.01,;22.07,-9.44,;14.89,-9.84,;14.29,-11.26,;15.67,-11.97,;13.46,-12.55,;14.68,-13.5,;16.11,-12.9,;16.32,-11.37,;17.72,-10.77,;18.97,-11.71,;20.37,-11.11,;21.62,-12.05,;21.41,-13.57,;19.98,-14.18,;18.76,-13.24,;17.33,-13.83,;12.42,-13.7,;11.22,-14.66,;12.05,-15.94,;9.87,-15.39,;10.48,-16.8,;12,-16.98,;12.92,-15.74,;12.63,-18.39,;8.4,-15.88,;6.88,-16.12,;6.97,-17.66,;5.33,-16.09,;3.82,-15.81,;2.36,-15.28,;1.71,-16.68,;1.04,-14.51,;.15,-15.78,;.8,-17.17,;-.07,-18.44,;.58,-19.84,;-.29,-21.1,;.36,-22.49,;-1.83,-20.97,;-.14,-13.53,;-1.16,-12.35,;-2.4,-13.26,;-1.94,-11.03,;-3.33,-11.7,;-3.44,-13.24,;-2.25,-14.23,;-2.83,-15.67,;-4.37,-15.56,;-4.74,-14.05,;-2.5,-9.59,;-2.79,-8.08,;-4.33,-8.25,;-2.85,-6.53,;-2.63,-5.01,;-2.16,-3.55,;-3.57,-2.95,;16.15,-3.23,;17.35,-4.19,;16.39,-1.71,;17.83,-1.15,;19.04,-2.12,;20.47,-1.56,;21.67,-2.53,;23.12,-1.97,;24.3,-2.95,;25.75,-2.39,;24.06,-4.47,;18.08,.37,;19.5,.93,;16.87,1.35,)|
BDBM50030039 [H][C@]12[#6]-[#6]-[#6]-[#7]1-[#6](=O)-[#6@H](-[#6]-[#6](-[#7])=O)-[#7]-[#6](=O)-[#6@@H](-[#7]-[#6](-[#6])=O)C([#6])([#6])[#16]-[#16]-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6@@H](-[#6]-c1ccc(-[#8]-[#6])cc1)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#8])=O)-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6]2=O)-[#6](-[#7])=O
BDBM50030032 COc1ccc(C[C@@H]2NC(=O)[C@@H](CC(O)=O)NC(=O)CNC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@@H]3CCCN3C(=O)[C@@H](CC(N)=O)NC(=O)[C@@H](CSSC[C@@H](NC(=O)[C@@H](CCCCN)NC2=O)C(N)=O)NC(C)=O)cc1
BDBM50030036 CC(C)C[C@H]1NC(=O)[C@H](CC(O)=O)NC(=O)CNC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](Cc2cnc[nH]2)NC(=O)CNC(=O)CNC(=O)[C@H](N)C(C)(C)SSC[C@H](NC(=O)[C@H](CCCNC(N)=N)NC1=O)C(=O)N[C@@H](C)C(O)=O
BDBM50030044 CC[C@H](C)[C@H]1NC(=O)[C@@H](CSSC[C@@H](NC(=O)[C@@H](CCC[N-]C(N)=[NH2+])NC(=O)[C@H](Cc2ccc(cc2)[N+]([O-])=O)NC(=O)[C@@H](CC(O)=O)NC(=O)CNC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@@H]2CCCN2C1=O)C(N)=O)NC(C)=O
BDBM50030046 CC(C)C[C@H]1NC(=O)[C@H](CC(O)=O)NC(=O)CNC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](Cc2cnc[nH]2)NC(=O)CNC(=O)CC2(CCCCC2)SSC[C@H](NC(=O)[C@H](CCCNC(N)=N)NC1=O)C(=O)N[C@@H](C)C(O)=O
BDBM50030050 CC[C@H](C)[C@H]1NC(=O)[C@@H](CSSC[C@@H](NC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@H](Cc2ccc(OC)cc2)NC(=O)[C@@H](CC(O)=O)NC(=O)CNC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@@H]2CCCN2C1=O)C(N)=O)NC(C)=O
BDBM50030058 CC(C)C[C@@H]1NC(=O)[C@@H](CC(O)=O)NC(=O)CNC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)CNC(=O)[C@H](N)CCCN=C(N)NC(=O)[C@@H](N)C(C)(C)SSC[C@@H](NC(=O)[C@@H](CCCNC(N)=N)NC1=O)C(=O)N[C@@H](CCCNC(N)=N)C(O)=O |w:50.50|
BDBM50030059 CCCCOc1ccc(C[C@@H]2NC(=O)[C@@H](CC(O)=O)NC(=O)CNC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@@H]3CCCN3C(=O)[C@H](NC(=O)[C@@H](CSSC[C@@H](NC(=O)[C@@H](CCCNC(N)=N)NC2=O)C(N)=O)NC(C)=O)[C@@H](C)CC)cc1
BDBM50030062 CC[C@H](C)[C@H]1NC(=O)[C@H](NC(C)=O)C(C)(C)SSC[C@@H](NC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@H](Cc2ccc(OC)cc2)NC(=O)[C@@H](CC(O)=O)NC(=O)CNC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@@H]2CCCN2C1=O)C(N)=O
BDBM50030064 CC[C@H](C)[C@H]1NC(=O)[C@@H](CSSC[C@@H](NC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](CC(O)=O)NC(=O)CNC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@@H]2CCCN2C1=O)C(N)=O)NC(C)=O
BDBM50030068 CC[C@H](C)[C@H]1NC(=O)[C@@H](CSSC[C@@H](NC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H](CC(O)=O)NC(=O)CNC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@@H]2CCCN2C1=O)C(N)=O)NC(C)=O
BDBM50054481 N[C@@H](CCCNC(N)=N)C(=O)NCC(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)NCC(=O)N[C@@H](CC(O)=O)C(O)=O
BDBM50078714 OC(=O)C[C@@H]1Cc2ccc(OCCCNc3ccccn3)cc2Cc2ccccc12
BDBM50100144 NC(=N)NCCCCC(=O)NNC(=O)NC(CC(O)=O)c1ccccc1
BDBM50100174 Cc1ccnc(NCCCCC(=O)NNC(=O)CC(CC(O)=O)c2ccc(cc2)-c2ccccc2)c1
BDBM50107402 N[C@@H](CCCNC(N)=N)C(=O)NCC(=O)N[C@@H](CC(O)=O)C(O)=O
BDBM50110229 Cc1ccnc(NCCCCC(=O)NNC(=O)NC(CC(O)=O)c2cc(Cl)cc(Cl)c2)c1
BDBM50110230 CC(C)C1N(C)C(=O)[C@@H](Cc2ccccc2)NC(=O)C(CC(O)=O)NC(=O)CNC(=O)C(CCCNC(N)=N)NC1=O
BDBM50110231 OC(=O)CC(NC(=O)CNC(=O)CCCNc1ccccn1)c1cccc(c1)[N+]([O-])=O
BDBM50110232 OC(=O)CC(NC(=O)CNC(=O)CCCCNc1ccccn1)c1ccc(cc1)-c1ccccc1
BDBM50110233 CC(C)C1NC(=O)[C@@H](Cc2ccccc2)NC(=O)C(CC(O)=O)NC(=O)NNC(=O)C(CCCNC(N)=N)NC1=O
BDBM50110234 CC(C)C1N(C)C(=O)[C@@H](Cc2ccccc2)NC(=O)C(CC(O)=O)NC(=O)NNC(=O)C(CCCNC(N)=N)NC1=O
BDBM50110235 CC(C)[C@H]1NC(=O)C(Cc2ccccc2)NC(=O)C(CC(O)=O)NC(=O)NNC(=O)C(CCCNC(N)=N)NC1=O
BDBM50110236 Cc1ccnc(NCCCCC(=O)NCC(=O)NC(CC(O)=O)c2cc(Cl)cc(Cl)c2)c1
BDBM50110237 Cc1ccnc(NCCCCC(=O)NNC(=O)CC(CC(O)=O)c2cc(Cl)cc(Cl)c2)c1
BDBM50110225 Cc1ccnc(NCCCCCCC(=O)NC(CC(O)=O)c2cccc(c2)[N+]([O-])=O)c1
BDBM50110226 CC1N(C)C(=O)[C@@H](Cc2ccccc2)NC(=O)C(CC(O)=O)NC(=O)CNC(=O)C(CCCNC(N)=N)NC1=O
BDBM50110227 Cc1ccnc(NCCCC(=O)NCC(=O)NC(CC(O)=O)c2ccc(cc2)-c2cccc3ccccc23)c1
BDBM50110228 Cc1ccnc(NCCCC(=O)NCC(=O)NC(CC(O)=O)c2cccc(OC(F)(F)F)c2)c1
BDBM50122198 Cc1cn(C[C@H](NC(=O)OCc2ccccc2)C(O)=O)c(=O)nc1N1CCC(CNc2nc3ccccc3[nH]2)CC1
BDBM50122205 Cc1cn(C[C@@H](CC(O)=O)NC(=O)OCc2ccccc2)c(=O)nc1NCCCNc1nc2ccccc2[nH]1
BDBM50120515 OC(=O)CC1CC(CNC(=O)CCNc2ccccn2)=CCc2ccccc12 |c:20|
BDBM50120516 OC(=O)CC1CC(CNC(=O)CCCNc2ccccn2)=CCc2ccccc12 |c:21|
BDBM50120517 OC(=O)CC1CC(CNC(=O)CCCc2ccc3CCCNc3n2)=CCc2ccccc12 |c:25|
BDBM50120518 OC(=O)CC1CC(CNC(=O)CCCCNc2ccccn2)=CCc2ccccc12 |c:22|
BDBM50120519 OC(=O)CC1CC(CNC(=O)CCCNC2=NCCCN2)=CCc2ccccc12 |c:21,t:15|
BDBM50120520 OC(=O)CC1CC(CNC(=O)CCCNC2=NCCN2)=CCc2ccccc12 |c:20,t:15|
BDBM50120521 CN(CCCC(=O)NCC1=CCc2ccccc2C(CC(O)=O)C1)c1ccccn1 |t:9|
BDBM50120522 OC(=O)CC1CC(CNC(=O)CCCNc2nccs2)=CCc2ccccc12 |c:20|
BDBM50120523 OC(=O)CC1CC(CNC(=O)CCCNc2nc3ccccc3[nH]2)=CCc2ccccc12 |c:25|
BDBM50120524 OC(=O)CC1CC(CNC(=O)CCNCc2ccccn2)=CCc2ccccc12 |c:21|
BDBM50123247 [#6]-c1cc(-[#6])c(c(-[#6])c1)S(=O)(=O)[#7]-[#6@@H](-[#6]-[#7]-[#6](=O)-c1ccc(s1)-c1cccc(c1)\[#7]=[#6](\[#7])-[#7])-[#6](-[#8])=O
BDBM50123248 NC(=N)NCc1cccc(c1)-c1ccc(s1)C(=O)NC[C@H](NS(=O)(=O)c1ccccc1)C(O)=O
BDBM50123249 [#7]\[#6](-[#7])=[#7]\c1cccc(c1)-c1ccc(s1)-[#6](=O)-[#7]-[#6]-[#6@H](-[#7]S(=O)(=O)c1ccccc1)-[#6](-[#8])=O
BDBM50123251 [#7]\[#6](-[#7])=[#7]/[#6]-c1ccccc1-c1ccc(s1)-[#6](=O)-[#7]-[#6]-[#6@H](-[#7]S(=O)(=O)c1ccccc1)-[#6](-[#8])=O
BDBM50123253 Cc1cc(C)c(c(C)c1)S(=O)(=O)N[C@@H](CNC(=O)c1ccc(s1)-c1cccc(CNC(N)=N)c1)C(O)=O
BDBM50126594 OC(=O)CC(Cc1ccc(OCCCNc2ccccn2)cc1)c1ccccc1
BDBM50126595 OC(=O)C[C@H](Cc1ccc(OCCc2ccc3CCCNc3n2)cc1)c1ccccc1
BDBM50141309 [#7]\[#6](-[#7])=[#7]/c1cccc(c1)-[#6](=O)-[#7]-c1ccc(-[#6]-[#6](-[#7]S(=O)(=O)c2ccccc2)-[#6](-[#8])=O)cc1
BDBM50141310 [#6]S(=O)(=O)[#7]-[#6](-[#6]-c1ccc(-[#7]-[#6](=O)-c2cccc(c2)\[#7]=[#6](/[#7])-[#7])cc1)-[#6](-[#8])=O
BDBM50141311 Cc1cc(C=CC(O)=O)cc(C)c1NC(=O)c1cccc(NC2=NCCN2)c1 |w:5.5,t:23|
BDBM50141312 [#7]\[#6](-[#7])=[#7]/c1cccc(c1)-[#6](=O)-[#7]-c1ccc(-[#6]=[#6]-[#6](-[#8])=O)cc1 |w:18.19|
BDBM50141313 CC(C)OC(=O)NC(Cc1ccc(NC(=O)c2cccc(Nc3nc(O)c[nH]3)c2)cc1)C(O)=O
BDBM50141314 OC(=O)C1CC1c1ccc(NC(=O)c2cccc(NC3=NCCCN3)c2)cc1 |t:20|
BDBM50141316 [#6]-c1cc(-[#6]=[#6]-[#6](-[#8])=O)cc(-[#6])c1-[#7]-[#6](=O)-c1cccc(c1)\[#7]=[#6](/[#7])-[#7] |w:5.5|
BDBM50141318 [#7]\[#6](-[#7])=[#7]/c1cccc(c1)-[#6](=O)-[#7]-c1ccc(-[#8]-[#6]-[#6](-[#8])=O)cc1
BDBM50141320 [#7]\[#6](-[#7])=[#7]/c1cccc(c1)-[#6](=O)-[#7]-c1ccc(-[#6]-[#6]-[#6](-[#8])=O)cc1
BDBM50141322 OC(=O)C=Cc1ccc(NC(=O)c2cccc(NC3=NCCCN3)c2)cc1 |w:3.2,t:18|
BDBM50141323 [#7]\[#6](-[#7])=[#7]/c1cccc(c1)-[#6](=O)-[#7]-c1ccc(cc1)-[#6]-1-[#6]-[#6]-1-[#6](-[#8])=O
BDBM50141324 COc1cc(NC(=O)c2cccc(NC3=NCCCN3)c2)ccc1CC(NC(=O)OC(C)C)C(O)=O |t:14|
BDBM50141327 Cc1cc(C=CC(O)=O)ccc1NC(=O)c1cccc(NC2=NCCCN2)c1 |w:5.5,t:22|
BDBM50141328 COc1cc(NC(=O)c2cccc(NC3=NCCCN3)c2)ccc1CCC(O)=O |t:14|
BDBM50141329 OC(=O)C(Cc1ccc(NC(=O)c2cccc(NC3=NCCCN3)c2)cc1)NS(=O)(=O)c1ccccc1 |t:18|
BDBM50141330 [#6]-c1cc(-[#7]-[#6](=O)-c2cccc(c2)\[#7]=[#6](/[#7])-[#7])ccc1-[#6]=[#6]-[#6](-[#8])=O |w:21.23|
BDBM50141331 [#6]-[#8]-c1cc(-[#7]-[#6](=O)-c2cccc(c2)\[#7]=[#6](/[#7])-[#7])ccc1-[#8]-[#6]-[#6](-[#8])=O
BDBM50141333 [#6]C([#6])([#6])[#8]-[#6](=O)-[#7]-[#6](-[#6]-c1ccc(-[#7]-[#6](=O)-c2cccc(c2)\[#7]=[#6](/[#7])-[#7])cc1)-[#6](-[#8])=O
BDBM50141334 [#6]-[#6](-[#6])-[#8]-[#6](=O)-[#7]-[#6](-[#6]-c1ccc(-[#7]-[#6](=O)-c2cccc(c2)\[#7]=[#6](/[#7])-[#7])cc1)-[#6](-[#8])=O
BDBM50141339 [#6]C([#6])([#6])[#7]-[#6](=O)-[#7]-[#6](-[#6]-c1ccc(-[#7]-[#6](=O)-c2cccc(c2)\[#7]=[#6](/[#7])-[#7])cc1)-[#6](-[#8])=O
BDBM50141342 [#7]\[#6](-[#7])=[#7]/c1cccc(c1)-[#6](=O)-[#7]-c1ccc(-[#6]=[#6]-[#6](-[#8])=O)cc1F |w:18.19|
BDBM50141343 OC(=O)C=Cc1ccc(NC(=O)c2cccc(NC3=NCCCN3)c2)c(Cl)c1 |w:3.2,t:18|
BDBM50141344 [#7]\[#6](-[#7])=[#7]/c1cccc(c1)-[#6](=O)-[#7]-c1ccc(-[#6]=[#6]-[#6](-[#8])=O)cc1Cl |w:18.19|
BDBM50141346 OC(=O)C=Cc1ccc(NC(=O)c2cccc(NC3=NCCCN3)c2)cc1Cl |w:3.2,t:18|
BDBM50141350 [#6]-[#6](=O)-[#7]-[#6](-[#6]-c1ccc(-[#7]-[#6](=O)-c2cccc(c2)\[#7]=[#6](/[#7])-[#7])cc1)-[#6](-[#8])=O
BDBM50141354 COc1cc(NC(=O)c2cccc(NC3=NCCCN3)c2)ccc1OCC(O)=O |t:14|
BDBM50141355 [#6]-[#8]-c1cc(-[#7]-[#6](=O)-c2cccc(c2)\[#7]=[#6](/[#7])-[#7])ccc1-[#6]-[#6](-[#7]-[#6](=O)-[#8]-[#6](-[#6])-[#6])-[#6](-[#8])=O
BDBM50150956 NC(=N)NOCCOc1ccc2[nH]c(cc2c1)C(=O)NCC(NS(=O)(=O)c1ccccc1)C(O)=O
BDBM50150957 OC(=O)C(CNC(=O)c1cc2cc(OCCONC3=NCCN3)ccc2[nH]1)NS(=O)(=O)c1ccccc1 |t:18|
BDBM50153559 Cc1ncc(cn1)C(CC1CCN(CC1)C(=O)CCc1ccc2CCCNc2n1)CC(O)=O
BDBM50155806 OC(=O)C[C@@H](C1CCN(CC1)C(=O)CCCc1ccc2CCCNc2n1)c1cnc2ccccc2c1
BDBM50155807 CN1CC(Cc2ccccc12)C(CC1CCN(CC1)C(=O)CCc1ccc2CCCNc2n1)CC(O)=O
BDBM50155808 OC(=O)C[C@@H](C1CCN(CC1)C(=O)CCCc1ccc2CCCNc2n1)C1CNc2ccccc2C1
BDBM50155809 OC(=O)C[C@@H](CC1CCN(CC1)C(=O)CCc1ccc2CCCNc2n1)c1cnc2CCCCc2c1
BDBM50155810 COc1ccc(cn1)[C@H](CC1CCN(CC1)C(=O)CCc1ccc2CCCNc2n1)CC(O)=O
BDBM50155811 OC(=O)C[C@H](NC(=O)C1CCN(CC1)C(=O)CCCNC1=NCCN1)c1cnc2ccccc2c1 |t:21|
BDBM50155812 OC(=O)C[C@H](NC(=O)C1CCN(CC1)C(=O)CCc1ccc2CCCNc2n1)c1cnc2ccccc2c1
BDBM50155813 OC(=O)C[C@@H](CC1CCN(CC1)C(=O)CCc1ccc2CCCNc2n1)c1cnc2ccccc2c1
BDBM50155814 OC(=O)CC(CC1CCN(CC1)C(=O)CCc1ccc2CCCNc2n1)C1CNc2ccccc2C1
BDBM50161781 CNc1cccc(CCOc2ccc3c(CCC(O)=O)csc3c2)n1
BDBM50161782 CNc1cccc(CCOc2ccc3c(CCC(O)=O)coc3c2)n1
BDBM50161783 CNc1cccc(CCOc2ccc3n(CCC(O)=O)ccc3c2)n1
BDBM50161784 OC(=O)CCn1ccc2cc(OCCCNc3ccccn3)ccc12
BDBM50166678 OC(=O)CC(c1ccc2OCOc2c1)n1ccc2cc(OCCc3ccc4CCCNc4n3)ccc12
BDBM50166691 OC(=O)CC(c1ccccc1)n1ccc2cc(OCCc3ccc4CCCNc4n3)ccc12
BDBM50166693 OC(=O)CC(c1cccnc1)n1ccc2cc(OCCc3ccc4CCCNc4n3)ccc12
BDBM50177616 OC(=O)C[C@H](Cc1nc(CCCCNc2cc(ccn2)N2CCOCC2)no1)c1ccc2OCOc2c1
BDBM50177621 OC(=O)C[C@H](Cc1nc(CCCCNc2cc(ccn2)N2CCSCC2)no1)c1ccc2OCOc2c1
BDBM50177622 OC(=O)CC(Cc1nc(CCCc2ccc3CCCNc3n2)no1)c1cccnc1
BDBM50177624 OC(=O)CC(Cc1nc(CCCc2ccc3CCCNc3n2)no1)c1cccc(F)c1
BDBM50177628 OC(=O)C[C@H](Cc1nc(CCCc2ccc3CCCNc3n2)no1)c1ccc2OCOc2c1
BDBM50177629 OC(=O)CC(Cc1nc(CCCc2ccc3CCCNc3n2)no1)c1cnc(s1)C1CC1
BDBM50177630 CNc1cccc(CCCc2noc(CC(CC(O)=O)c3ccc4OCOc4c3)n2)n1
BDBM50177631 OC(=O)CC(Cc1nc(CCCc2ccc3CCCNc3n2)no1)C#C
BDBM50177878 [#7]\[#6](-[#7])=[#7]\[#6]-[#6]-[#6]-[#6@@H]-1-[#7]-[#6](=O)-[#6@H]-2-[#6]-[#6@H](-[#8])-[#6@H](-[#6]-2)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#8])=O)-[#7]-[#6](=O)-[#6]-[#7]-[#6]-1=O
BDBM50177879 [#7]\[#6](-[#7])=[#7]\[#6]-[#6]-[#6]-[#6@@H]-1-[#7]-[#6](=O)-[#6@@H]-2-[#6]-[#6]-[#6@H]-3-[#6]-[#6]-[#6]-[#6@@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#8])=O)-[#7]-[#6](=O)-[#6]-[#7]-[#6]-1=O)-[#6](=O)-[#7]-2-3
BDBM50177880 [#7]\[#6](-[#7])=[#7]\[#6]-[#6]-[#6]-[#6@@H]-1-[#7]-[#6](=O)-[#6@@H]-2-[#6]-[#6@H](-[#8])-[#6@H](-[#6]-2)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#8])=O)-[#7]-[#6](=O)-[#6]-[#7]-[#6]-1=O
BDBM50177881 [#7]\[#6](-[#7])=[#7]\[#6]-[#6]-[#6]-[#6@@H]-1-[#7]-[#6](=O)-[#6@H]-2-[#6]-[#6]-[#6@@H](-[#6]-2)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#8])=O)-[#7]-[#6](=O)-[#6]-[#7]-[#6]-1=O
BDBM50177882 [#7]\[#6](-[#7])=[#7]\[#6]-[#6]-[#6]-[#6@@H]-1-[#7]-[#6](=O)-[#6@H]-2-[#6]-[#6@@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#8])=O)-[#7]-[#6](=O)-[#6]-[#7]-[#6]-1=O)-[#6@H](-[#8])-[#6@@H]-2-[#8]
BDBM50177883 [#7]\[#6](-[#7])=[#7]\[#6]-[#6]-[#6]-[#6@@H]-1-[#7]-[#6](=O)-[#6@@H]-2-[#6]-[#6@@H](-[#8])-[#6@@H](-[#6]-2)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#8])=O)-[#7]-[#6](=O)-[#6]-[#7]-[#6]-1=O
BDBM50177884 [#7]\[#6](-[#7])=[#7]\[#6]-[#6]-[#6]-[#6@@H]-1-[#7]-[#6](=O)-[#6@H]-2-[#6]-[#6]-[#6@H](-[#6]-2)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#8])=O)-[#7]-[#6](=O)-[#6]-[#7]-[#6]-1=O
BDBM50177885 [#7]\[#6](-[#7])=[#7]\[#6]-[#6]-[#6]-[#6@@H]-1-[#7]-[#6](=O)-[#6@@H]-2-[#6]-[#6]-[#6@@H](-[#6]-2)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#8])=O)-[#7]-[#6](=O)-[#6]-[#7]-[#6]-1=O
BDBM50177887 [#7]\[#6](-[#7])=[#7]\[#6]-[#6]-[#6]-[#6@@H]-1-[#7]-[#6](=O)-[#6@@H]-2-[#6]-[#6]-[#6@H](-[#6]-2)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#8])=O)-[#7]-[#6](=O)-[#6]-[#7]-[#6]-1=O
BDBM50177888 [#7]\[#6](-[#7])=[#7]\[#6]-[#6]-[#6]-[#6@@H]-1-[#7]-[#6](=O)-[#6@@H]-2-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#8])=O)-[#7]-[#6](=O)-[#6]-[#7]-[#6]-1=O)-[#6@@H](-[#8])-[#6@@H]-2-[#8]
BDBM50177889 [#7]\[#6](-[#7])=[#7]\[#6]-[#6]-[#6]-[#6@@H]-1-[#7]-[#6](=O)-[#6@H]-2-[#6]-[#6@@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#8])=O)-[#7]-[#6](=O)-[#6]-[#7]-[#6]-1=O)-[#6@H](-[#8])-[#6@H]-2-[#8]
BDBM50177890 [#7]\[#6](-[#7])=[#7]\[#6]-[#6]-[#6]-[#6@@H]-1-[#7]-[#6](=O)-[#6@@H]-2-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#8])=O)-[#7]-[#6](=O)-[#6]-[#7]-[#6]-1=O)-[#6@@H](-[#8])-[#6@H]-2-[#8]
BDBM50183582 [#6]-[#7]1-[#6](=O)-[#6@@H](-[#6]-c2ccccc2)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#8])=O)-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)[C@@]1([#6]-c1ccccc1)C(F)(F)F
BDBM50183583 [#6]-[#6](-[#6])-[#6@@H]-1-[#7]-[#6](=O)-[#6@@H](-[#6]-c2ccccc2)-[#7]-[#6](=O)[C@]([#6]-[#6](-[#8])=O)([#7]-[#6]-[#6]-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6]-1=O)C(F)(F)F
BDBM50183584 [#6]-[#6](-[#6])[C@]1([#7]-[#6](=O)-[#6@@H](-[#6]-c2ccccc2)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#8])=O)-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6]1=O)C(F)(F)F
BDBM50183585 [#6]-[#7]-1-[#6@@H](-[#6]-c2ccccc2)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-[#6]-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#8])=O)-[#6](=O)-[#7]-[#6@H](-[#6]-c2ccccc2)-[#6]-1=O
BDBM50183586 [#6]-[#7]1-[#6](=O)-[#6@@H](-[#6]-c2ccccc2)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#8])=O)-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)[C@]1([#6]-c1ccccc1)C(F)(F)F
BDBM50183587 [#7]\[#6](-[#7])=[#7]\[#6]-[#6]-[#6]-[#6@@H]-1-[#7]-[#6](=O)C([#6]-c2ccccc2)([#7]-[#6](=O)-[#6@@H](-[#6]-c2ccccc2)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#8])=O)-[#7]-[#6](=O)-[#6]-[#7]-[#6]-1=O)[#6](F)F
BDBM50183588 [#6]-[#6](-[#6])-[#6@@H]-1-[#7]-[#6](=O)-[#6@@H](-[#6]-c2ccccc2)-[#7]-[#6](=O)[C@@]([#6]-[#6](-[#8])=O)([#7]-[#6]-[#6]-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6]-1=O)C(F)(F)F
BDBM50183589 [#7]\[#6](-[#7])=[#7]\[#6]-[#6]-[#6]-[#6@@H]-1-[#7]-[#6](=O)[C@@]([#6]-c2ccccc2)([#7]-[#6](=O)-[#6@@H](-[#6]-c2ccccc2)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#8])=O)-[#7]-[#6](=O)-[#6]-[#7]-[#6]-1=O)C(F)(F)F
BDBM50183590 [#7]\[#6](-[#7])=[#7]\[#6]-[#6]-[#6]-[#6@@H]-1-[#7]-[#6](=O)-[#6@H](-[#6]-c2ccccc2)-[#7]-[#6](=O)-[#6@@H](-[#6]-c2ccccc2)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#8])=O)-[#7]-[#6](=O)-[#6]-[#7]-[#6]-1=O
BDBM50183591 [#7]\[#6](-[#7])=[#7]\[#6]-[#6]-[#6]-[#6@@H]-1-[#7]-[#6](=O)-[#6@H](-[#6]-c2ccccc2)-[#7]-[#6](=O)[C@@]([#6]-c2ccccc2)([#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#8])=O)-[#7]-[#6](=O)-[#6]-[#7]-[#6]-1=O)C(F)(F)F
BDBM50183593 [#6]-[#6](-[#6])-[#6@@H]-1-[#7]-[#6](=O)[C@]([#6]-c2ccccc2)([#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#8])=O)-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6]-1=O)C(F)(F)F
BDBM50183594 [#6]-[#6](-[#6])[C@@]1([#7]-[#6](=O)-[#6@@H](-[#6]-c2ccccc2)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#8])=O)-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6]1=O)C(F)(F)F
BDBM50185450 Cn1nc(CC(CC(O)=O)c2ccc3OCOc3c2)cc1OCCc1ccc2CCCNc2n1
BDBM50185451 CNc1cccc(CCOc2cc(CC(CC(O)=O)c3ccc4OCOc4c3)on2)n1
BDBM50185452 OC(=O)CC(Cc1cc(OCCc2ccc3CCCNc3n2)n[nH]1)c1ccc2OCOc2c1
BDBM50185453 Cn1nc(CC(CC(O)=O)c2cnc(s2)-c2ccc(Cl)cc2)cc1OCCc1ccc2CCCNc2n1
BDBM50185456 Cn1nc(CC(CC(O)=O)c2ccc3OCOc3c2)cc1S(=O)(=O)CCc1ccc2CCCNc2n1
BDBM50185457 OC(=O)CC(Cc1cc(OCCc2ccc3CCCNc3n2)n(Cc2ccccc2)n1)c1ccc2OCOc2c1
BDBM50185458 CNc1cccc(CCOc2cc(CC(CC(O)=O)c3ccc4OCOc4c3)nn2C)n1
BDBM50185459 [#8]-[#6](=O)-[#6]-[#6](-[#6]-c1cc(-[#8]-[#6]-[#6]-[#6]\[#7]=[#6]-2\[#7]-[#6]-[#6]-[#7]-2)no1)-c1ccc2-[#8]-[#6]-[#8]-c2c1
BDBM50185462 Cn1nc(CC(CC(O)=O)c2ccc3OCOc3c2)cc1SCCc1ccc2CCCNc2n1
BDBM50185463 OC(=O)CC(Cc1cc(OCCc2ccc3CCCNc3n2)n(n1)-c1ccccc1)c1ccc2OCOc2c1
BDBM50185464 OC(=O)CC(Cc1cc(OCCc2ccc3CCCNc3n2)no1)c1ccc2OCOc2c1
BDBM50185467 CCCCn1nc(CC(CC(O)=O)c2ccc3OCOc3c2)cc1OCCc1ccc2CCCNc2n1
BDBM50185468 CN1CCNc2nc(CCOc3cc(CC(CC(O)=O)c4ccc5OCOc5c4)nn3C)ccc12
BDBM50185469 CN1CCNc2nc(CCOc3cc(CC(CC(O)=O)c4ccc5OCOc5c4)on3)ccc12
BDBM50185470 OC(=O)CC(Cc1cc(OCCc2ccc3CCCNc3n2)n(CC(F)(F)F)n1)c1ccc2OCOc2c1
BDBM50201115 OC(=O)CC(c1ccccc1)n1ccc2cc(CCCc3ccc4CCCNc4n3)ccc12 |w:4.3|
BDBM50201116 OC(=O)CC(c1cccnc1)n1ccc2c(CCc3ccc4CCCNc4n3)cccc12 |w:4.3|
BDBM50201117 OC(=O)CC(c1cccnc1)n1ccc2c(NCc3ccc4CCCNc4n3)cccc12 |w:4.3|
BDBM50201118 OC(=O)CC(c1ccccc1)n1ccc2c(CCc3ccc4CCCNc4n3)cccc12 |w:4.3|
BDBM50209132 OC(=O)CC1CC1c1ccc(OCCc2ccc3CCCNc3n2)c(F)c1 |w:6.7,4.3|
BDBM50209119 CC(CC(O)=O)Cc1ccc(OCCCNc2ccccn2)cc1 |w:1.0|
BDBM50209120 OC(=O)CC1CC1c1ccc(OCCc2ccc3CCCNc3n2)c(O)c1 |w:6.7,4.3|
BDBM50209121 OC(=O)CC1CC1c1ccc(OCCc2ccc3CCCNc3n2)cc1 |w:6.7,4.3|
BDBM50209122 OC(=O)CC1C(c2ccc(OCCc3ccc4CCCNc4n3)cc2)C1(Br)Br |w:5.5,4.3|
BDBM50209124 CC1(C)C(CC(O)=O)C1c1ccc(OCCc2ccc3CCCNc3n2)cc1 |w:8.9,3.3|
BDBM50217422 COc1ccnc(NC[C@@H]2C[C@H](CN2C(=O)CC(C)(C)C)OCC(=O)NC[C@H](NS(=O)(=O)c2c(C)cc(C)cc2C)C(O)=O)c1
BDBM50217423 CC1(CCCCC1)C(=O)N[C@@H](CNC(=O)CO[C@@H]1C[C@@H](CNc2ccccn2)N(C1)C(=O)OCc1ccccc1)C(O)=O
BDBM50217425 COc1ccnc(NC[C@@H]2C[C@H](CN2C(=O)OCc2ccccc2)OCC(=O)NC[C@H](NC(=O)C2(C)CCCCC2)C(O)=O)c1
BDBM50217430 Cc1cc(C)c(c(C)c1)S(=O)(=O)N[C@@H](CNC(=O)CO[C@@H]1C[C@@H](CNc2ccccn2)N(C1)C(=O)CC(C)(C)C)C(O)=O
BDBM50217431 OC(=O)[C@H](CNC(=O)CO[C@@H]1C[C@@H](CNc2ccccn2)N(C1)C(=O)OCc1ccccc1)NS(=O)(=O)c1ccccc1
BDBM50217432 Cc1cc(C)c(C(=O)N[C@@H](CNC(=O)CO[C@@H]2C[C@@H](CNc3ccccn3)N(C2)C(=O)CC(C)(C)C)C(O)=O)c(C)c1
BDBM50217434 Cc1cc(C)c(C(=O)N[C@@H](CNC(=O)CO[C@@H]2C[C@@H](CNc3ccccn3)N(C2)C(=O)OCc2ccccc2)C(O)=O)c(C)c1
BDBM50217435 COc1ccnc(NC[C@@H]2C[C@H](CN2C(=O)OCc2ccccc2)OCC(=O)NC[C@H](NS(=O)(=O)c2c(C)cc(C)cc2C)C(O)=O)c1
BDBM50217426 COc1ccnc(NC[C@@H]2C[C@H](CN2C(=O)CC(C)(C)C)OCC(=O)NC[C@H](NC(=O)C2(C)CCCCC2)C(O)=O)c1
BDBM50217427 CC(C)(C)CC(=O)N1C[C@@H](C[C@H]1CNc1ccccn1)OCC(=O)NC[C@H](NC(=O)C1(C)CCCCC1)C(O)=O
BDBM50217428 COc1ccnc(NC[C@@H]2C[C@H](CN2C(=O)OCc2ccccc2)OCC(=O)NC[C@H](NC(=O)c2c(C)cc(C)cc2C)C(O)=O)c1
BDBM50217419 COc1ccnc(NC[C@@H]2C[C@H](CN2C(=O)CC(C)(C)C)OCC(=O)NC[C@H](NC(=O)c2c(C)cc(C)cc2C)C(O)=O)c1
BDBM50217420 Cc1cc(C)c(c(C)c1)S(=O)(=O)N[C@@H](CNC(=O)CO[C@@H]1C[C@@H](CNc2ccccn2)N(C1)C(=O)OCc1ccccc1)C(O)=O
BDBM50222360 [#6]-[#6](-[#6])-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#8])=O)-[#7]-[#6](-[#6])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#8])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#8])-[#6](-[#8])=O
BDBM50235980 [#6]-[#6](-[#6])-[#6@@H]-1-[#7](-[#6])-[#6](=O)-[#6@@H](-[#6]-c2ccccc2)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#8])=O)-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6]-1=O |r|
BDBM50237601 [#6]-[#6](-[#6])-[#6@@H]-1-[#7]-[#6](=O)-[#6@@H](-[#6]-c2ccccc2)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#8])=O)-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6]-1=O |r|
BDBM50308725 [#6]-[#6][C@@]1([#8])[#6](=O)-[#8]-[#6]-c2c1cc1-c3nc4ccccc4c(\[#6]=[#7]\[#8]-[#6]-[#6]-[#7]-[#6](=O)-[#6]-[#6]-[#6](=O)-[#7]-[#6]-c4ccc(-[#6]-[#6@@H]-5-[#7]-[#6](=O)-[#6@@H](-[#6]-c6ccccc6)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#8])=O)-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6]-5=O)cc4)c3-[#6]-n1c2=O |r|
BDBM50308722 [#6]-[#6][C@@]1([#8])[#6](=O)-[#8]-[#6]-c2c1cc1-c3nc4ccccc4c(-[#6]-[#6]-[#6]=[#7]-[#7]-[#6](=O)-[#6]-[#8]-[#6]-[#6]-[#8]-[#6]-[#6]-[#8]-[#6]-[#6](=O)-[#7]-[#6]-c4ccc(-[#6]-[#6@@H]-5-[#7]-[#6](=O)-[#6@@H](-[#6]-c6ccccc6)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#8])=O)-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6]-5=O)cc4)c3-[#6]-n1c2=O |r,w:24.26|
BDBM50308726 [#6]-[#6][C@@]1([#8])[#6](=O)-[#8]-[#6]-c2c1cc1-c3nc4ccccc4c(\[#6]=[#7]/[#8]-[#6]-[#6]-[#7]-[#6](=O)-[#6]-[#6]-[#6]-[#6@@H]-4-[#7]-[#6](=O)-[#6@@H](-[#6]-c5ccccc5)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#8])=O)-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6]-4=O)c3-[#6]-n1c2=O |r|
BDBM50308727 [#7]-[#7]-[#6](=O)-[#6]-[#8]-[#6]-[#6]-[#8]-[#6]-[#6]-[#8]-[#6]-[#6](=O)-[#7]-[#6]-c1ccc(cc1)-[#6@@H]-1-[#7]-[#6](=O)-[#6@@H](-[#6]-c2ccccc2)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#8])=O)-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6]-1=O |r|
BDBM50308728 [#7]\[#6](-[#7])=[#7]\[#6]-[#6]-[#6]-[#6@@H]-1-[#7]-[#6](=O)-[#6](-[#7]-[#6](=O)-[#6@@H](-[#6]-c2ccccc2)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#8])=O)-[#7]-[#6](=O)-[#6]-[#7]-[#6]-1=O)-c1ccc(-[#6]-[#7]-[#6](=O)-[#6]-[#8]-[#6]-[#6]-[#8]-[#6]-[#6]-[#8]-[#6]-[#6](-[#8])=O)cc1 |r|
BDBM50308729 [#7]\[#6](-[#7])=[#7]\[#6]-[#6]-[#6]-[#6@@H]-1-[#7]-[#6](=O)-[#6@@H](-[#7]-[#6](=O)-[#6@@H](-[#6]-c2ccccc2)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#8])=O)-[#7]-[#6](=O)-[#6]-[#7]-[#6]-1=O)-c1ccc(-[#6]-[#7]-[#6](=O)-[#6]-[#6]-[#6](-[#8])=O)cc1 |r|
BDBM50308730 [#7]\[#6](-[#7])=[#7]\[#6]-[#6]-[#6]-[#6@@H]-1-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]-[#6](-[#8])=O)-[#7]-[#6](=O)-[#6@@H](-[#6]-c2ccccc2)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#8])=O)-[#7]-[#6](=O)-[#6]-[#7]-[#6]-1=O |r|
BDBM50308723 [#6]-[#6][C@@]1([#8])[#6](=O)-[#8]-[#6]-c2c1cc1-c3nc4ccccc4c(-[#6]=[#7]-[#7]-[#6](=O)-[#6]-[#8]-[#6]-[#6]-[#8]-[#6]-[#6]-[#8]-[#6]-[#6](=O)-[#7]-[#6]-c4ccc(-[#6]-[#6@@H]-5-[#7]-[#6](=O)-[#6@@H](-[#6]-c6ccccc6)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#8])=O)-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6]-5=O)cc4)c3-[#6]-n1c2=O |r,w:22.24|
BDBM50308724 [#6]-[#6][C@@]1([#8])[#6](=O)-[#8]-[#6]-c2c1cc1-c3nc4ccccc4c(\[#6]=[#7]\[#8]-[#6]-[#6]-[#7]-[#6](=O)-[#6]-[#8]-[#6]-[#6]-[#8]-[#6]-[#6]-[#8]-[#6]-[#6](=O)-[#7]-[#6]-c4ccc(-[#6]-[#6@@H]-5-[#7]-[#6](=O)-[#6@@H](-[#6]-c6ccccc6)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#8])=O)-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6]-5=O)cc4)c3-[#6]-n1c2=O |r|
BDBM50327742 [#7]\[#6](-[#7])=[#7]\[#6]-c1cn(-[#6]-[#6](=O)-[#7](-[#6]-[#6](-[#8])=O)-c2ccccc2)nn1
BDBM50327743 [#7]\[#6](-[#7])=[#7]\[#6]-[#6]-c1cn(-[#6]-[#6](=O)-[#7](-[#6]-[#6](-[#8])=O)-c2ccccc2)nn1
BDBM50327744 [#7]\[#6](-[#7])=[#7]\[#6]-[#6]-[#6]-c1cn(-[#6]-[#6](=O)-[#7](-[#6]-[#6](-[#8])=O)-c2ccccc2)nn1
BDBM50327745 NC(=N)N1CCN(CCc2cn(CC(=O)N(CC(O)=O)c3ccccc3)nn2)CC1
BDBM50327746 [#7]\[#6](-[#7])=[#7]\[#6]-c1cn(-[#6]-[#6](=O)-[#7]-[#6@H](-[#6](-[#8])=O)-c2ccccc2)nn1 |r|
BDBM50327747 [#7]\[#6](-[#7])=[#7]\[#6]-[#6]-c1cn(-[#6]-[#6](=O)-[#7]-[#6@H](-[#6](-[#8])=O)-c2ccccc2)nn1 |r|
BDBM50327748 [#7]\[#6](-[#7])=[#7]\[#6]-[#6]-[#6]-c1cn(-[#6]-[#6](=O)-[#7]-[#6@H](-[#6](-[#8])=O)-c2ccccc2)nn1 |r|
BDBM50327749 [#7]\[#6](-[#7])=[#7]\[#6]-c1cn(-[#6]-[#6](=O)-[#7]-[#6@@H](-[#6](-[#8])=O)-c2ccccc2)nn1 |r|
BDBM50327750 [#7]\[#6](-[#7])=[#7]\[#6]-[#6]-c1cn(-[#6]-[#6](=O)-[#7]-[#6@@H](-[#6](-[#8])=O)-c2ccccc2)nn1 |r|
BDBM50327751 [#7]\[#6](-[#7])=[#7]\[#6]-[#6]-[#6]-c1cn(-[#6]-[#6](=O)-[#7]-[#6@@H](-[#6](-[#8])=O)-c2ccccc2)nn1 |r|
BDBM50327752 NC(=N)N1CCN(Cc2cn(CC(=O)N[C@H](C(O)=O)c3ccccc3)nn2)CC1 |r|
BDBM50327753 NC(=N)N1CCN(CCc2cn(CC(=O)N[C@H](C(O)=O)c3ccccc3)nn2)CC1 |r|
BDBM50327754 NC(=N)N1CCN(Cc2cn(CC(=O)N[C@@H](C(O)=O)c3ccccc3)nn2)CC1 |r|
BDBM50327755 NC(=N)N1CCN(CCc2cn(CC(=O)N[C@@H](C(O)=O)c3ccccc3)nn2)CC1 |r|
BDBM50376404 [#7]\[#6](-[#7])=[#7]\[#6]-[#6]-[#6]-[#6@@H]-1-[#7]-[#6](=O)[C@]23[#6]-[#6]-[#6]-[#7]2-[#6](=O)-[#6@@H](-[#6]3)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#8])=O)-[#7]-[#6](=O)-[#6]-[#7]-[#6]-1=O
BDBM50376405 [#7]\[#6](-[#7])=[#7]\[#6]-[#6]-[#6]-[#6@@H]-1-[#7]-[#6](=O)[C@@]23[#6]-[#6]-[#6]-[#7]2-[#6](=O)-[#6@H](-[#6]3)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#8])=O)-[#7]-[#6](=O)-[#6]-[#7]-[#6]-1=O
BDBM50372588 [#7]\[#6](-[#7])=[#7]\[#6]-[#6]-[#6]-[#6@@H]-1-[#7]-[#6](=O)-[#6@@H]-2-[#6]-[#6@H](-[#6]-[#7]-2)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#8])=O)-[#7]-[#6](=O)-[#6]-[#7]-[#6]-1=O
BDBM50372589 [#7]\[#6](-[#7])=[#7]\[#6]-[#6]-[#6]-[#6@@H]-1-[#7]-[#6](=O)-[#6@@H]-2-[#6]-[#6@@H](-[#6]-[#7]-2)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#8])=O)-[#7]-[#6](=O)-[#6]-[#7]-[#6]-1=O
BDBM50372591 [#7]\[#6](-[#7])=[#7]\[#6]-[#6]-[#6]-[#6@@H]-1-[#7]-[#6](=O)-[#6@@H]-2-[#6]-[#6@H](-[#6]-[#7]-2-[#6](=O)-c2ccccc2)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#8])=O)-[#7]-[#6](=O)-[#6]-[#7]-[#6]-1=O
BDBM50372592 [#7]\[#6](-[#7])=[#7]\[#6]-[#6]-[#6]-[#6@@H]-1-[#7]-[#6](=O)-[#6@@H]-2-[#6]-[#6@@H](-[#6]-[#7]-2-[#6](=O)-c2ccccc2)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#8])=O)-[#7]-[#6](=O)-[#6]-[#7]-[#6]-1=O
BDBM50372593 [#6]-[#6]-[#6](=O)-[#7]-1-[#6]-[#6@@H]-2-[#6]-[#6@H]-1-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-[#6]-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#8])=O)-[#6](=O)-[#7]-2
BDBM50372594 [#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#7]-1-[#6]-[#6@@H]-2-[#6]-[#6@H]-1-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-[#6]-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#8])=O)-[#6](=O)-[#7]-2
BDBM50372595 NC1CC(=O)N[C@@H]2CN[C@H](C2)C(=O)NC(N)=NCCC[C@H](NC(=O)CNC1=O)C(O)=O |w:16.17|
BDBM50372596 [#7]\[#6](-[#7])=[#7]\[#6]-[#6]-[#6]-[#6@@H]-1-[#7]-[#6](=O)-[#6@H]-2-[#6]-[#6@H](-[#6]-[#7]-2)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#8])=O)-[#7]-[#6](=O)-[#6]-[#7]-[#6]-1=O
BDBM50370689 [#7]\[#6](-[#7])=[#7]\[#6]-[#6]-[#6]-[#6@@H]-1-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@@H](-[#6]-[#6](-[#8])=O)-[#7]-[#6@H]-2-[#6]-[#6]-[#6]-[#6@H]-3-[#6]-[#6]-[#6@@H](-[#7]-3-[#6]-2=O)-[#6]-1=O
BDBM50392275 [#6]-[#6]-c1c2-[#6]-n3c(cc4c(-[#6]-[#8]-[#6](=O)[C@]4([#8])[#6]-[#6])c3=O)-c2nc2ccc(-[#8]-[#6](=O)-[#7]-3-[#6]-[#6]-[#7](-[#6]-[#6]-3)-[#6](=O)-c3ccc(-[#6]-[#8]-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6](=O)-[#7]-4-[#6]-[#6]-[#7](-[#6]-[#6]-4)-c4cccc(c4)\[#7]=[#6]-4/[#7]-[#6]-[#6]-[#6]-[#7]-4)-[#6](-[#8])=O)cc3)cc12 |r|
BDBM50392276 [#6]-[#6][C@@]1([#8])[#6](=O)-[#8]-[#6]-c2c1cc1-c3nc4ccc(-[#8]-[#6](=O)-[#7]-5-[#6]-[#6]-[#7](-[#6]-[#6]-5)-[#6](=O)-c5ccc(-[#6]-[#8]-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6](=O)-[#7]-6-[#6]-[#6]-[#7](-[#6]-[#6]-6)-c6cccc(c6)\[#7]=[#6]-6/[#7]-[#6]-[#6]-[#6]-[#7]-6)-[#6](-[#8])=O)cc5)cc4cc3-[#6]-n1c2=O |r|
BDBM50392277 [#6]-[#6][C@@]1([#8])[#6](=O)-[#8]-[#6]-c2c1cc1-c3nc4ccc(-[#8]-[#6](=O)-[#7]-5-[#6]-[#6]-[#7](-[#6]-[#6]-5)-[#6](=O)-c5ccc(-[#6]-[#8]-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6](=O)-[#7]-6-[#6]-[#6]-[#7](-[#6]-[#6]-6)-c6cccc(c6)\[#7]=[#6]-6/[#7]-[#6]-[#6]-[#6]-[#7]-6)-[#6](-[#8])=O)cc5)cc4c(\[#6]=[#7]\[#8]C([#6])([#6])[#6])c3-[#6]-n1c2=O |r|
BDBM50392278 [#6]-[#6][C@@]1([#8])[#6](=O)-[#8]-[#6]-c2c1cc1-c3nc4ccc(-[#8]-[#6](=O)-[#7]-5-[#6]-[#6]-[#7](-[#6]-[#6]-5)-[#6](=O)-c5ccc(-[#6]-[#8]-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6](=O)-[#7]-6-[#6]-[#6]-[#7](-[#6]-[#6]-6)-c6cccc(c6)\[#7]=[#6]-6/[#7]-[#6]-[#6]-[#6]-[#7]-6)-[#6](-[#8])=O)cc5)c(-[#6]-[#7](-[#6])-[#6])c4cc3-[#6]-n1c2=O |r|
BDBM50392279 [#8]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6](=O)-[#7]-1-[#6]-[#6]-[#7](-[#6]-[#6]-1)-c1cccc(c1)\[#7]=[#6]-1/[#7]-[#6]-[#6]-[#6]-[#7]-1)-[#7]-[#6](=O)-[#8]-[#6]-c1ccc(cc1)-[#6](-[#8])=O |r|
BDBM50399913 [#7]\[#6](-[#7])=[#7]\[#6]-[#6]-[#6]-[#6@@H]-1-[#7]-[#6](=O)-[#6]-[#6@@H]-2-[#7](-[#6]-c3ccccc3)-[#6](=O)-[#6@@H](-[#6]-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#8])=O)-[#7]-[#6](=O)-[#6]-[#7]-[#6]-1=O)-[#7]-[#6]-2=O |r|
BDBM50399914 [#7]\[#6](-[#7])=[#7]\[#6]-[#6]-[#6]-[#6@@H]-1-[#7]-[#6](=O)-[#6]-[#6@H]-2-[#7]-[#6](=O)-[#6@H](-[#6]-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#8])=O)-[#7]-[#6](=O)-[#6]-[#7]-[#6]-1=O)-[#7](-[#6]-c1ccccc1)-[#6]-2=O |r|
BDBM50399915 [#7]\[#6](-[#7])=[#7]\[#6]-[#6]-[#6]-[#6@@H]-1-[#7]-[#6](=O)-[#6]-[#6@@H]-2-[#7]-[#6](=O)-[#6@@H](-[#6]-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#8])=O)-[#7]-[#6](=O)-[#6]-[#7]-[#6]-1=O)-[#7](-[#6]-c1ccccc1)-[#6]-2=O |r|
BDBM50399916 [#7]\[#6](-[#7])=[#7]\[#6]-[#6]-[#6]-[#6@@H]-1-[#7]-[#6](=O)-[#6]-[#6@@H]-2-[#7](-[#6]-c3ccc(-[#6]-[#7]-[#6](=O)-[#6]-[#6]-[#6](-[#8])=O)cc3)-[#6](=O)-[#6@@H](-[#6]-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#8])=O)-[#7]-[#6](=O)-[#6]-[#7]-[#6]-1=O)-[#7]-[#6]-2=O |r|
BDBM50399917 [#7]-[#6]-c1ccc(-[#6]-[#7]-2-[#6@H]-3-[#6]-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#8])=O)-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6]-[#6@@H](-[#7]-[#6]-3=O)-[#6]-2=O)cc1 |r|
BDBM50399918 CC(=O)O[C@@H]1C2=C(C)[C@H](C[C@@](O)([C@@H](OC(=O)c3ccccc3)[C@@H]3[C@@]4(CO[C@@H]4C[C@H](O)[C@@]3(C)C1=O)OC(C)=O)C2(C)C)OC(=O)[C@H](OC(=O)CCC(=O)NCc1ccc(CN2[C@@H]3CC(=O)N[C@@H](CCCN=C(N)N)C(=O)NCC(=O)N[C@@H](CC(O)=O)C(=O)NC[C@H](NC3=O)C2=O)cc1)[C@@H](NC(=O)c1ccccc1)c1ccccc1 |r,wU:65.70,80.85,22.23,26.26,4.3,10.10,30.33,28.30,89.94,wD:97.105,12.12,8.45,23.37,44.49,60.64,c:5,(43.79,-26.11,;43.75,-24.57,;42.4,-23.84,;45.06,-23.78,;46.41,-24.49,;46.47,-27.53,;46.5,-29.07,;45.17,-29.85,;47.85,-29.83,;49.16,-29.04,;49.14,-27.51,;50.49,-28.25,;50.46,-26.71,;51.81,-27.46,;51.83,-29.01,;50.51,-29.78,;53.17,-29.74,;54.48,-28.95,;55.83,-29.69,;55.85,-31.24,;54.53,-32.04,;53.2,-31.28,;50.43,-25.18,;51.74,-24.38,;53.29,-24.36,;53.26,-22.82,;51.72,-22.83,;50.37,-22.09,;49.04,-22.9,;48.99,-21.35,;49.08,-24.44,;49.5,-25.89,;47.73,-23.7,;47.69,-22.16,;52.16,-25.86,;53.51,-26.6,;54.83,-25.81,;53.53,-28.16,;47.8,-26.75,;46.98,-25.44,;48.54,-25.4,;47.86,-31.36,;46.54,-32.15,;45.21,-31.39,;46.56,-33.68,;47.9,-34.44,;49.23,-33.66,;49.22,-32.12,;50.57,-34.42,;51.9,-33.64,;53.23,-34.4,;53.24,-35.94,;54.56,-33.62,;55.9,-34.39,;57.23,-33.61,;58.57,-34.38,;59.89,-33.6,;59.88,-32.06,;61.21,-31.28,;62.55,-32.04,;63.87,-31.25,;63.86,-29.71,;65.18,-28.92,;65.16,-27.38,;66.53,-29.67,;67.85,-28.88,;67.82,-27.34,;66.48,-26.59,;66.46,-25.05,;65.11,-24.3,;65.09,-22.76,;63.74,-22.01,;66.41,-21.97,;69.19,-29.63,;70.51,-28.84,;69.22,-31.17,;70.56,-31.92,;70.58,-33.46,;71.93,-34.21,;69.26,-34.25,;69.28,-35.79,;70.63,-36.54,;70.65,-38.08,;69.33,-38.87,;72,-38.83,;67.96,-36.58,;67.98,-38.12,;65.3,-36.62,;63.89,-35.88,;63.89,-34.34,;65.22,-33.56,;65.21,-32.02,;66.54,-31.25,;62.56,-33.58,;61.22,-34.35,;58.54,-31.3,;57.21,-32.08,;45.23,-34.46,;43.89,-33.73,;42.57,-34.49,;42.6,-36.05,;41.24,-33.76,;41.22,-32.21,;39.87,-31.47,;38.55,-32.26,;38.58,-33.8,;39.92,-34.56,;45.26,-36,;46.61,-36.74,;46.63,-38.29,;45.3,-39.08,;43.96,-38.32,;43.94,-36.79,)|
BDBM50399919 CC(=O)O[C@@H]1C2=C(C)[C@H](C[C@@](O)([C@@H](OC(=O)c3ccccc3)[C@@H]3[C@@]4(CO[C@@H]4C[C@H](O)[C@@]3(C)C1=O)OC(C)=O)C2(C)C)OC(=O)[C@H](OC(=O)CCC(=O)NCc1ccc(CN2[C@H]3CC(=O)N[C@@H](CCCN=C(N)N)C(=O)NCC(=O)N[C@@H](CC(O)=O)C(=O)NC[C@@H](NC3=O)C2=O)cc1)[C@@H](NC(=O)c1ccccc1)c1ccccc1 |r,wU:65.70,80.85,22.23,26.26,4.3,10.10,30.33,28.30,60.64,wD:97.105,12.12,8.45,23.37,44.49,89.94,c:5,(3.53,-26.48,;3.49,-24.94,;2.14,-24.21,;4.81,-24.14,;6.16,-24.86,;6.22,-27.9,;6.24,-29.43,;4.92,-30.22,;7.59,-30.2,;8.91,-29.4,;8.88,-27.87,;10.23,-28.61,;10.21,-27.08,;11.56,-27.82,;11.57,-29.38,;10.26,-30.14,;12.91,-30.11,;14.22,-29.31,;15.57,-30.05,;15.6,-31.61,;14.28,-32.4,;12.94,-31.65,;10.17,-25.54,;11.49,-24.75,;13.04,-24.72,;13.01,-23.19,;11.46,-23.19,;10.11,-22.45,;8.78,-23.26,;8.73,-21.72,;8.82,-24.8,;9.24,-26.26,;7.47,-24.06,;7.43,-22.52,;11.9,-26.23,;13.25,-26.97,;14.58,-26.18,;13.27,-28.52,;7.54,-27.11,;6.72,-25.81,;8.29,-25.76,;7.6,-31.72,;6.28,-32.51,;4.95,-31.76,;6.3,-34.04,;7.64,-34.8,;8.97,-34.03,;8.96,-32.49,;10.31,-34.79,;11.64,-34.01,;12.98,-34.77,;12.99,-36.31,;14.31,-33.99,;15.65,-34.75,;16.97,-33.97,;18.31,-34.74,;19.64,-33.97,;19.63,-32.42,;20.96,-31.64,;22.3,-32.4,;23.61,-31.62,;23.6,-30.08,;24.92,-29.29,;24.9,-27.75,;26.27,-30.04,;27.59,-29.25,;27.57,-27.71,;26.22,-26.96,;26.2,-25.42,;24.86,-24.67,;24.83,-23.13,;23.49,-22.38,;26.15,-22.34,;28.94,-30,;30.26,-29.21,;28.96,-31.54,;30.3,-32.29,;30.33,-33.83,;31.67,-34.58,;29,-34.62,;29.03,-36.16,;30.37,-36.91,;30.4,-38.45,;29.07,-39.24,;31.74,-39.2,;27.71,-36.95,;27.73,-38.49,;25.04,-36.99,;23.64,-36.24,;23.63,-34.7,;24.96,-33.93,;24.95,-32.39,;26.29,-31.61,;22.3,-33.94,;20.97,-34.72,;18.28,-31.66,;16.96,-32.44,;4.97,-34.83,;3.63,-34.09,;2.32,-34.86,;2.34,-36.42,;.98,-34.13,;.96,-32.57,;-.39,-31.83,;-1.7,-32.63,;-1.69,-34.16,;-.35,-34.92,;5,-36.36,;6.35,-37.1,;6.37,-38.66,;5.04,-39.45,;3.7,-38.69,;3.68,-37.16,)|
BDBM50399920 CC(=O)O[C@@H]1C2=C(C)[C@H](C[C@@](O)([C@@H](OC(=O)c3ccccc3)[C@@H]3[C@@]4(CO[C@@H]4C[C@H](O)[C@@]3(C)C1=O)OC(C)=O)C2(C)C)OC(=O)[C@H](OC(=O)CCC(=O)NCc1ccc(CN2[C@H]3CNC(=O)[C@H](CC(O)=O)NC(=O)CNC(=O)[C@H](CCCN=C(N)N)NC(=O)C[C@@H](NC3=O)C2=O)cc1)[C@@H](NC(=O)c1ccccc1)c1ccccc1 |r,wU:22.23,26.26,4.3,10.10,30.33,28.30,89.94,77.82,65.70,wD:97.105,12.12,8.45,23.37,44.49,60.64,c:5,(45,-3.57,;44.96,-2.03,;43.6,-1.29,;46.27,-1.23,;47.62,-1.94,;47.68,-4.99,;47.71,-6.52,;46.38,-7.31,;49.05,-7.28,;50.37,-6.49,;50.35,-4.96,;51.7,-5.7,;51.67,-4.17,;53.02,-4.91,;53.03,-6.46,;51.72,-7.23,;54.37,-7.2,;55.69,-6.4,;57.04,-7.14,;57.06,-8.7,;55.74,-9.49,;54.41,-8.73,;51.63,-2.63,;52.95,-1.84,;54.5,-1.81,;54.47,-.28,;52.92,-.28,;51.57,.47,;50.24,-.35,;50.19,1.2,;50.28,-1.89,;50.71,-3.35,;48.93,-1.15,;48.89,.4,;53.36,-3.31,;54.71,-4.05,;56.04,-3.27,;54.73,-5.61,;49.01,-4.2,;48.19,-2.9,;49.75,-2.85,;49.07,-8.81,;47.75,-9.6,;46.41,-8.84,;47.77,-11.13,;49.11,-11.89,;50.43,-11.11,;50.42,-9.57,;51.77,-11.87,;53.1,-11.09,;54.44,-11.86,;54.45,-13.4,;55.77,-11.08,;57.11,-11.84,;58.44,-11.06,;59.77,-11.83,;61.1,-11.05,;61.09,-9.51,;62.42,-8.73,;63.76,-9.49,;63.76,-11.03,;62.43,-11.81,;62.44,-13.35,;63.78,-15.65,;62.45,-16.42,;65.11,-16.41,;65.12,-17.95,;63.79,-18.73,;62.45,-17.96,;63.8,-20.27,;66.44,-15.63,;67.78,-16.4,;67.79,-17.94,;69.11,-15.62,;69.1,-14.08,;70.43,-13.31,;71.77,-14.07,;70.43,-11.77,;71.76,-10.99,;71.75,-9.45,;73.08,-8.67,;73.07,-7.13,;74.41,-6.36,;74.4,-4.82,;75.74,-7.12,;69.09,-11,;69.08,-9.46,;70.41,-8.69,;67.75,-8.7,;66.42,-9.47,;66.43,-11.02,;65.09,-11.79,;65.1,-13.33,;65.08,-8.71,;65.06,-7.17,;59.74,-8.75,;58.42,-9.53,;46.43,-11.91,;45.1,-11.18,;43.78,-11.95,;43.8,-13.5,;42.44,-11.21,;42.42,-9.66,;41.07,-8.92,;39.76,-9.72,;39.79,-11.25,;41.13,-12.01,;46.47,-13.45,;47.82,-14.19,;47.83,-15.74,;46.51,-16.53,;45.16,-15.78,;45.14,-14.24,)|
BDBM50399921 CC(=O)O[C@@H]1C2=C(C)[C@H](C[C@@](O)([C@@H](OC(=O)c3ccccc3)[C@@H]3[C@@]4(CO[C@@H]4C[C@H](O)[C@@]3(C)C1=O)OC(C)=O)C2(C)C)OC(=O)[C@H](OC(=O)CCC(=O)NCc1ccc(CN2[C@@H]3CNC(=O)[C@H](CC(O)=O)NC(=O)CNC(=O)[C@H](CCCN=C(N)N)NC(=O)C[C@H](NC3=O)C2=O)cc1)[C@@H](NC(=O)c1ccccc1)c1ccccc1 |r,wU:22.23,26.26,4.3,10.10,30.33,28.30,60.64,77.82,65.70,wD:97.105,12.12,8.45,23.37,44.49,89.94,c:5,(5.81,-4.11,;5.77,-2.57,;4.42,-1.84,;7.09,-1.78,;8.43,-2.49,;8.5,-5.53,;8.52,-7.06,;7.19,-7.85,;9.87,-7.83,;11.18,-7.03,;11.16,-5.5,;12.51,-6.24,;12.48,-4.71,;13.83,-5.45,;13.85,-7.01,;12.53,-7.77,;15.19,-7.74,;16.5,-6.94,;17.85,-7.69,;17.88,-9.24,;16.55,-10.03,;15.22,-9.28,;12.45,-3.18,;13.76,-2.38,;15.31,-2.35,;15.29,-.82,;13.74,-.82,;12.39,-.08,;11.06,-.89,;11.01,.66,;11.1,-2.43,;11.52,-3.89,;9.75,-1.69,;9.71,-.15,;14.18,-3.86,;15.53,-4.6,;16.86,-3.81,;15.55,-6.16,;9.82,-4.74,;9,-3.44,;10.56,-3.39,;9.88,-9.35,;8.56,-10.14,;7.23,-9.39,;8.58,-11.67,;9.92,-12.44,;11.25,-11.66,;11.24,-10.12,;12.59,-12.42,;13.92,-11.64,;15.26,-12.4,;15.27,-13.94,;16.59,-11.62,;17.92,-12.38,;19.25,-11.6,;20.59,-12.37,;21.92,-11.6,;21.91,-10.05,;23.23,-9.27,;24.57,-10.03,;24.58,-11.57,;23.25,-12.35,;23.25,-13.89,;24.59,-16.19,;23.26,-16.97,;25.93,-16.95,;25.94,-18.49,;24.61,-19.27,;23.27,-18.51,;24.61,-20.81,;27.26,-16.18,;28.6,-16.94,;28.6,-18.48,;29.93,-16.17,;29.92,-14.63,;31.25,-13.85,;32.59,-14.62,;31.24,-12.31,;32.57,-11.54,;32.57,-10,;33.9,-9.22,;33.89,-7.68,;35.22,-6.9,;35.21,-5.36,;36.56,-7.67,;29.91,-11.55,;29.9,-10.01,;31.23,-9.23,;28.56,-9.24,;27.23,-10.02,;27.24,-11.56,;25.91,-12.33,;25.92,-13.87,;25.89,-9.25,;25.88,-7.71,;20.56,-9.29,;19.24,-10.08,;7.25,-12.46,;5.91,-11.72,;4.59,-12.49,;4.62,-14.05,;3.26,-11.76,;3.24,-10.21,;1.89,-9.46,;.58,-10.26,;.6,-11.79,;1.94,-12.55,;7.28,-13.99,;8.63,-14.74,;8.65,-16.29,;7.32,-17.08,;5.98,-16.32,;5.96,-14.79,)|
BDBM50399912 [#7]\[#6](-[#7])=[#7]\[#6]-[#6]-[#6]-[#6@@H]-1-[#7]-[#6](=O)-[#6]-[#6@H]-2-[#7](-[#6]-c3ccccc3)-[#6](=O)-[#6@H](-[#6]-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#8])=O)-[#7]-[#6](=O)-[#6]-[#7]-[#6]-1=O)-[#7]-[#6]-2=O |r|
BDBM50429464 NC(N)=NCCC[C@@H]1NC(=O)CNC(=O)C[C@H](NC(=O)[C@H](NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC1=O)c1ccccc1)C(O)=O |r,wU:16.47,7.6,wD:20.40,24.24,(29.78,-44.54,;28.45,-45.31,;27.11,-44.54,;28.45,-46.85,;27.11,-47.62,;27.11,-49.16,;25.77,-49.94,;25.77,-51.48,;24.44,-52.25,;23.1,-51.48,;23.1,-49.94,;21.77,-52.25,;21.79,-53.77,;23.13,-54.53,;24.46,-53.74,;23.15,-56.07,;24.49,-56.81,;24.51,-58.37,;25.85,-59.12,;27.18,-58.34,;25.87,-60.66,;27.21,-61.42,;29.78,-53.78,;31.12,-54.55,;29.77,-52.24,;31.08,-51.47,;32.4,-52.23,;32.56,-53.73,;34.05,-54.04,;34.8,-52.73,;36.28,-52.41,;36.75,-50.97,;35.72,-49.84,;34.24,-50.16,;33.78,-51.6,;28.45,-51.48,;27.11,-52.25,;27.11,-53.79,;24.54,-61.45,;23.2,-60.68,;21.87,-61.47,;21.89,-63.02,;23.25,-63.77,;24.56,-62.98,;25.82,-56.03,;27.16,-56.79,;25.8,-54.49,)|
BDBM50429470 [#7]-[#6]-[#6]-[#6]-[#6]-[#6@H]-1-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#7]-[#6]-1=O)-c1ccccc1)-[#6](-[#8])=O |r|
BDBM50429471 [#7]-[#6]-[#6]-[#6]-[#6]-[#6@@H]-1-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#7]-[#6]-1=O)-c1ccccc1)-[#6](-[#8])=O |r|
BDBM50429476 [#7]\[#6](-[#7])=[#7]\[#6]-[#6]-[#6]-[#6@@H]-1-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#7]-[#6](=O)-[#6]-[#7]-[#6]-1=O)-c1ccccc1)-[#6](-[#8])=O |r|
BDBM50429459 [#7]-[#6]-[#6]-[#6]-[#6]-[#6@@H]-1-[#7]-[#6](=O)-[#6@@H](-[#6]-c2ccccc2)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#8])=O)-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6]-1=O |r|
BDBM50423719 Cc1ccnc(NCc2cccc(c2)-c2ccc(CC(NC(=O)c3c(C)cc(C)cc3C)C(O)=O)cc2)c1
BDBM50423720 Cc1ccnc(NCc2ccc(cc2)-c2ccc(CC(NC(=O)c3c(C)cc(C)cc3C)C(O)=O)cc2)c1
BDBM50423721 Cc1ccnc(NCC2CCN(CC2)c2ccc(CC(NC(=O)c3c(C)cc(C)cc3C)C(O)=O)cc2)c1
BDBM50423722 Cc1ccnc(NCc2sccc2-c2ccc(C[C@H](NC(=O)c3c(C)cc(C)cc3C)C(O)=O)cc2)c1 |r|
BDBM50423723 Cc1ccnc(NCc2csc(c2)-c2ccc(C[C@H](NC(=O)c3c(C)cc(C)cc3C)C(O)=O)cc2)c1 |r|
BDBM50423724 Cc1ccnc(NCc2cc(on2)-c2ccc(C[C@H](NC(=O)c3c(C)cc(C)cc3C)C(O)=O)cc2)c1 |r|
BDBM50423725 Cc1ccnc(NCc2coc(c2)-c2ccc(C[C@H](NC(=O)c3c(C)cc(C)cc3C)C(O)=O)cc2)c1 |r|
BDBM50423726 Cc1ccnc(NCc2cn(nn2)-c2ccc(C[C@H](NC(=O)c3c(C)cc(C)cc3C)C(O)=O)cc2)c1 |r|
BDBM50423727 Cc1ccnc(NCc2cnc(s2)-c2ccc(C[C@H](NC(=O)c3c(C)cc(C)cc3C)C(O)=O)cc2)c1 |r|
BDBM50423728 Cc1ccnc(NCC2CN(C(=O)C2)c2ccc(C[C@H](NC(=O)c3c(C)cc(C)cc3C)C(O)=O)cc2)c1 |r|
BDBM50423731 CCc1cc(F)cc(C)c1C(=O)N[C@H](Cc1ccc(cc1)N1CCC(CNc2ccccn2)CC1)C(O)=O |r|
BDBM50423732 CCc1cc(F)cc(C)c1C(=O)N[C@@H](Cc1ccc(cc1)N1CCC(CNc2ccccn2)CC1)C(O)=O |r|
BDBM50423733 OC(=O)[C@H](Cc1ccc(cc1)N1CCC(CNc2ccccn2)CC1)NC(=O)c1ccccc1 |r|
BDBM50423734 OC(=O)[C@H](Cc1ccc(cc1)N1CCC(CNc2ccccn2)CC1)N1Cc2ccccc2C1=O |r|
BDBM50423735 Cc1cc(C)c(C(=O)NC(Cc2ccc(cc2)N2CCC(CNc3ccccn3)CC2)C(O)=O)c(C)c1
BDBM50423736 COc1ccnc(NCC2CCN(CC2)c2ccc(CC(NC(=O)c3c(C)cc(C)cc3C)C(O)=O)cc2)c1
BDBM50423737 Cc1cccc(C)c1C(=O)NC(Cc1ccc(cc1)N1CCC(CNc2ccccn2)CC1)C(O)=O
BDBM50423738 CCc1cccc(C)c1C(=O)NC(Cc1ccc(cc1)N1CCC(CNc2ccccn2)CC1)C(O)=O
BDBM50423739 Cc1cc(F)cc(C)c1C(=O)NC(Cc1ccc(cc1)N1CCC(CNc2ccccn2)CC1)C(O)=O
BDBM50423717 Cc1cc(C)c(C(=O)N[C@@H](CNC(=O)CO[C@H]2C[C@H](CNc3ccccn3)N(C2)C(=O)CC(C)(C)C)C(O)=O)c(C)c1 |r|
BDBM50439683 [#6]-[#6@@H](-[#8])-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#8])=O)-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6]-[#7])-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6@H]-1-[#6](-[#8])=O |r|
BDBM50021393 [O-]C(=O)C(F)(F)F.[NH3+]Cc1ccc(NC(=O)N2C(CC(O)=O)CC2=O)cc1
BDBM50021394 [O-]C(=O)C(F)(F)F.[NH3+]Cc1ccc(NC(=O)N2C(CC(=O)NCC(O)=O)CC2=O)cc1
BDBM50021395 [O-]C(=O)C(F)(F)F.[NH3+]Cc1ccc(NC(=O)N2[C@@H](CC2=O)C(O)=O)cc1 |r|
BDBM50023182 N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)NCC(=O)N[C@@H](CC(O)=O)C(O)=O |r|
BDBM50199195 NC(=N)NCCCCC(=O)Nc1ccc(C[C@H](NC(=O)[C@@H]2CCCN2S(=O)(=O)c2ccccc2)C(O)=O)cc1 |r|
BDBM50199196 OC(=O)[C@H](Cc1ccc(NC(=O)CCCNc2ccccn2)cc1)NC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccccc1 |r|
BDBM50199399 NC(=N)NCCCC(=O)Nc1ccc(C[C@H](NC(=O)[C@@H]2CCCCN2S(=O)(=O)c2ccccc2)C(O)=O)cc1 |r|
BDBM50199197 OC(=O)[C@H](Cc1ccc(NC(=O)CCCCNC2=NCCN2)cc1)NC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccccc1 |r,t:17|
BDBM50199345 NC(=N)Nc1cccc(c1)C(=O)Nc1ccc(C[C@H](NC(=O)[C@@H]2CCCN2S(=O)(=O)c2ccccc2)C(O)=O)cc1 |r|
BDBM50199398 NC(=N)NCCCCC(=O)Nc1ccc(C[C@H](NC(=O)[C@@H]2CCCCN2S(=O)(=O)c2ccccc2)C(O)=O)cc1 |r|
BDBM279565 OC1CNC(Nc2cc(O)cc(c2)C(=O)NCC(=O)N[C@@H](CC(O)=O)c2cc(Cl)cc(Br)c2)=NC1 |r,c:34|
BDBM279566 OC1CNC(Nc2cncc(c2)C(=O)NCC(=O)N[C@@H](CC(O)=O)c2cc(Cl)cc(c2)C(F)(F)F)=NC1 |r,c:36|
BDBM279567 OC1CNC(Nc2cncc(c2)C(=O)NCC(=O)N[C@@H](CC(O)=O)c2cc(Cl)cc(Br)c2)=NC1 |r,c:33|
BDBM279568 OC1CNC(Nc2cncc(c2)C(=O)NCC(=O)N[C@@H](CC(O)=O)c2cc(Br)cc(c2)C(F)(F)F)=NC1 |r,c:36|
BDBM279560 OC1CNC(Nc2cc(O)cc(c2)C(=O)NCC(=O)N[C@@H](CC(O)=O)c2cc(Br)cc(Br)c2)=NC1 |r,c:34|
BDBM279569 OC1CNC(Nc2cc(O)cc(c2)C(=O)NCC(=O)N[C@@H](CC(O)=O)c2cc(cc(c2)C(F)(F)F)C(F)(F)F)=NC1 |r,c:40|
BDBM279570 Cc1cc(Br)cc(c1)[C@H](CC(O)=O)NC(=O)CNC(=O)c1cc(O)cc(NC2=NCC(O)CN2)c1 |r,t:28|
BDBM279571 Cc1cc(Cl)cc(c1)[C@H](CC(O)=O)NC(=O)CNC(=O)c1cc(O)cc(NC2=NCC(O)CN2)c1 |r,t:28|
BDBM279572 OC1CNC(Nc2cc(O)cc(c2)C(=O)NCC(=O)N[C@@H](CC(O)=O)c2cc(F)cc(Br)c2)=NC1 |r,c:34|
BDBM279573 OC1CNC(Nc2cncc(c2)C(=O)NCC(=O)N[C@@H](CC(O)=O)c2cc(Br)cc(Br)c2)=NC1 |r,c:33|
BDBM279561 OC1CNC(Nc2cc(O)cc(c2)C(=O)NCC(=O)N[C@@H](CC(O)=O)c2cc(Br)cc(c2)C(F)(F)F)=NC1 |r,c:37|
BDBM279575 OC1CNC(Nc2cc(O)cc(c2)C(=O)NCC(=O)N[C@@H](CC(O)=O)c2cc(Cl)cc(OC(F)(F)F)c2)=NC1 |r,c:38|
BDBM279576 OC1CNC(Nc2cc(O)cc(c2)C(=O)NCC(=O)N[C@@H](CC(O)=O)c2cc(Br)cc(OC(F)(F)F)c2)=NC1 |r,c:38|
BDBM279574 OC1CNC(Nc2cc(O)cc(c2)C(=O)NCC(=O)N[C@@H](CC(O)=O)c2cc(Cl)cc(Cl)c2)=NC1 |r,c:34|
BDBM279562 OC1CNC(Nc2cc(O)cc(c2)C(=O)NCC(=O)N[C@@H](CC(O)=O)c2cc(Cl)cc(c2)C(F)F)=NC1 |r,c:36|
BDBM279563 OC1CNC(Nc2cc(O)cc(c2)C(=O)NCC(=O)N[C@@H](CC(O)=O)c2cc(Br)cc(c2)C(F)F)=NC1 |r,c:36|
BDBM279564 OC1CNC(Nc2cc(O)cc(c2)C(=O)NCC(=O)N[C@@H](CC(O)=O)c2cc(Cl)cc(c2)C(F)(F)F)=NC1 |r,c:37|
BDBM50233958 NCCN1C[C@@H]2C[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(=O)NCC(=O)N[C@@H](CC(O)=O)C(=O)N2 |r|
BDBM50239153 CC(C)C[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)CNC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(O)=O)NC(=O)CNC(=O)[C@H](CCCNC(N)=N)NC(=O)CNC(=O)CNC(=O)CNC(=O)CN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H]([C@@H](C)O)C(=O)NCC(=O)NCC(=O)N[C@@H](CO)C(O)=O |r|
BDBM50239154 CC(C)C[C@@H]1NC(=O)[C@H](CC(O)=O)NC(=O)CNC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(O)=O)NC(=O)CNC(=O)[C@H](CCCNC(N)=N)NC(=O)CNC(=O)CNC(=O)CNC(=O)CNC(=O)[C@@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H]2CCCN2C1=O)[C@@H](C)O |r|
BDBM50239155 CC(C)C[C@@H]1NC(=O)[C@H](CC(O)=O)NC(=O)CNC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(O)=O)NC(=O)CNC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(O)=O)NC(=O)CNC(=O)[C@H](CCCNC(N)=N)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H]2CCCN2C1=O)[C@@H](C)O |r|
BDBM50239156 CC(C)C[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)CNC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(O)=O)NC(=O)CNC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(O)=O)NC(=O)CNC(=O)[C@H](CCCNC(N)=N)NC(=O)CN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H]([C@@H](C)O)C(=O)NCC(=O)NCC(=O)N[C@@H](CO)C(O)=O |r|
BDBM50239157 CC(C)[C@H]1N(C)C(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CC(O)=O)NC(=O)CNC(=O)[C@H](CCCNC(N)=N)NC1=O |r|
BDBM50239158 CC(C)C[C@@H]1NC(=O)[C@H](CC(O)=O)NC(=O)CNC(=O)[C@H](CCCNC(N)=N)NC(=O)CNC(=O)CNC(=O)CNC(=O)CNC(=O)CNC(=O)CNC(=O)CNC(=O)NC(=O)[C@@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H]2CCCN2C1=O)[C@@H](C)O |r|
BDBM50239159 CC(C)C[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)CNC(=O)[C@H](CCCNC(N)=N)NC(=O)CNC(=O)CNC(=O)CNC(=O)CNC(=O)CNC(=O)CNC(=O)CN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H]([C@@H](C)O)C(=O)NCC(=O)NCC(=O)N[C@@H](CO)C(O)=O |r|
BDBM50464114 Cc1cnn(c1)-c1cccc(c1)[C@@H](CN1CC[C@@H](CCc2ccc3CCCNc3n2)C1)CC(O)=O |r|
BDBM50464103 Cc1cn(C)c(n1)-c1cccc(c1)[C@@H](CN1CC[C@@H](CCc2ccc3CCCNc3n2)C1)CC(O)=O |r|
BDBM50464104 OC(=O)C[C@H](CN1CC[C@@H](CCc2ccc3CCCNc3n2)C1)c1cccc(c1)C1CCOC1 |r|
BDBM50464105 OC(=O)C[C@H](CN1CC[C@@H](CCc2ccc3CCCNc3n2)C1)c1cccc(c1)-n1cnnc1 |r|
BDBM50464106 OC(=O)C[C@H](CN1CC[C@@H](CCc2ccc3CCCNc3n2)C1)c1cccc(OC2COC2)c1 |r|
BDBM50464107 Cc1cc([nH]n1)-c1cccc(c1)[C@@H](CN1CC[C@@H](CCc2ccc3CCCNc3n2)C1)CC(O)=O |r|
BDBM50464108 Cc1cc(C)n(n1)-c1cccc(c1)[C@@H](CN1CC[C@@H](CCc2ccc3CCCNc3n2)C1)CC(O)=O |r|
BDBM50464109 OC(=O)CC(CN1CC[C@@H](CCc2ccc3CCCNc3n2)C1)c1cccc(c1)-n1ccnc1 |r|
BDBM50464110 OC(=O)C[C@H](CN1CC[C@@H](CCc2ccc3CCCNc3n2)C1)c1cccc(c1)N1CCOCC1 |r|
BDBM50464111 Cc1cnn(C)c1-c1cccc(c1)[C@@H](CN1CC[C@@H](CCc2ccc3CCCNc3n2)C1)CC(O)=O |r|
BDBM50464112 OC(=O)C[C@H](CN1CC[C@@H](CCc2ccc3CCCNc3n2)C1)c1cc(cc(c1)N1CCOCC1)C1CC1 |r|
BDBM50464113 OC(=O)C[C@H](CN1CC[C@@H](CCc2ccc3CCCNc3n2)C1)c1cccc(O[C@@H]2CCOC2)c1 |r|
BDBM50464116 OC(=O)C[C@H](CN1CC[C@@H](CCc2ccc3CCCNc3n2)C1)c1cccc(Br)c1 |r|
BDBM50464117 Cc1cc(C)n(n1)-c1cccc(c1)[C@H](CN1CC[C@@H](CCc2ccc3CCCNc3n2)C1)CC(O)=O |r|
BDBM50464118 OC(=O)C[C@H](CN1CC[C@@H](CCc2ccc3CCCNc3n2)C1)c1cccc(O[C@H]2CCOC2)c1 |r|
BDBM50464119 OC(=O)C[C@H](CN1CC[C@@H](CCc2ccc3CCCNc3n2)C1)c1cccc(c1)-n1ccnn1 |r|
BDBM50464120 Cc1nncn1-c1cccc(c1)[C@@H](CN1CC[C@@H](CCc2ccc3CCCNc3n2)C1)CC(O)=O |r|
BDBM50464121 OC(=O)C[C@@H](CN1CC[C@@H](CCc2ccc3CCCNc3n2)C1)c1cccc(c1)N1CCOCC1 |r|
BDBM50464122 OC(=O)C[C@@H](CN1CC[C@@H](CCc2ccc3CCCNc3n2)C1)c1cccc(c1)C1CC1 |r|
BDBM50464123 Cc1cc(C)n(n1)-c1cc(cc(c1)N1CCOCC1)[C@@H](CN1CC[C@@H](CCc2ccc3CCCNc3n2)C1)CC(O)=O |r|
BDBM50464124 Cc1nc(C)c([nH]1)-c1cccc(c1)[C@@H](CN1CC[C@@H](CCc2ccc3CCCNc3n2)C1)CC(O)=O |r|
BDBM50464097 Cc1nc(C)n(n1)-c1cccc(c1)[C@@H](CN1CC[C@@H](CCc2ccc3CCCNc3n2)C1)CC(O)=O |r|
BDBM50464098 OC(=O)C[C@H](CN1CC[C@@H](CCc2ccc3CCCNc3n2)C1)c1cccc(c1)C1CC1 |r|
BDBM50464099 OC(=O)C[C@H](CN1CC[C@@H](CCc2ccc3CCCNc3n2)C1)c1cccc(c1)-n1cncn1 |r|
BDBM50464100 Cc1ccnn1-c1cccc(c1)[C@@H](CN1CC[C@@H](CCc2ccc3CCCNc3n2)C1)CC(O)=O |r|
BDBM50464101 OC(=O)C[C@H](CN1CC[C@@H](CCc2ccc3CCCNc3n2)C1)c1cccc(OC2CCOCC2)c1 |r|
BDBM50464102 OC(=O)C[C@H](CN1CC[C@@H](CCc2ccc3CCCNc3n2)C1)c1cccc(c1)-n1cccn1 |r|
BDBM50464115 Cc1ccn(n1)-c1cccc(c1)[C@@H](CN1CC[C@@H](CCc2ccc3CCCNc3n2)C1)CC(O)=O |r|
BDBM50497605 COc1cccc(c1)C(CC(O)=O)NC(=O)CCCCc1ccc2CCCNc2n1
BDBM50497611 OC(=O)CC(NC(=O)CCCCc1ccc2CCCNc2n1)c1ccccc1F
BDBM50497612 OC(=O)CC(NC(=O)CCCCc1ccc2CCCNc2n1)c1cccc(F)c1
BDBM50497615 OC(=O)CC(NC(=O)CCCCc1ccc2CCCNc2n1)c1ccc(cc1)C(F)(F)F
BDBM50497616 OC(=O)C[C@@H](NC(=O)CCCCc1ccc2CCCNc2n1)c1cccc(c1)C(F)(F)F |r|
BDBM50497617 OC(=O)CC(NC(=O)CCCCc1ccc2CCCNc2n1)c1ccc(cc1)C#N
BDBM50497618 Cc1ccccc1C(CC(O)=O)NC(=O)CCCCc1ccc2CCCNc2n1
BDBM50497619 Cc1cc(C)cc(c1)C(CC(O)=O)NC(=O)CCCCc1ccc2CCCNc2n1
BDBM50497620 OC(=O)CC(NC(=O)CCCCc1ccc2CCCNc2n1)c1cccc(OC(F)(F)F)c1
BDBM50497621 OC(=O)CC(NC(=O)CCCCc1ccc2CCCNc2n1)c1ccc(F)cc1
BDBM50497608 OC(=O)CC(NC(=O)CCCCc1ccc2CCCNc2n1)c1cccc(Cl)c1
BDBM50497609 OC(=O)CC(NC(=O)CCCCc1ccc2CCCNc2n1)c1ccc(cc1)-c1ccccc1
BDBM50497610 OC(=O)CC(NC(=O)CCCCc1ccc2CCCNc2n1)c1ccc2CCCc2c1
BDBM50497622 OC(=O)CC(NC(=O)CCCCc1ccc2CCCNc2n1)c1ccc(Cl)c(c1)C(F)(F)F
BDBM50497624 Cc1ccc(cc1)C(CC(O)=O)NC(=O)CCCCc1ccc2CCCNc2n1
BDBM50497625 OC(=O)CC(NC(=O)CCCCc1ccc2CCCNc2n1)c1ccc(Cl)cc1
BDBM50497626 COc1ccccc1C(CC(O)=O)NC(=O)CCCCc1ccc2CCCNc2n1
BDBM50497627 OC(=O)CC(NC(=O)CCCCc1ccc2CCCNc2n1)c1ccccc1
BDBM50497631 CS(=O)(=O)c1ccc(cc1)C(CC(O)=O)NC(=O)CCCCc1ccc2CCCNc2n1
BDBM50497632 OC(=O)C[C@H](NC(=O)CCCCc1ccc2CCCNc2n1)c1cccc(c1)C(F)(F)F |r|
BDBM50497633 Cc1ccc(cc1C)C(CC(O)=O)NC(=O)CCCCc1ccc2CCCNc2n1
BDBM50497634 OC(=O)CC(NC(=O)CCCCc1ccc2CCCNc2n1)c1ccc2OCOc2c1
BDBM50497635 OC(=O)CC(NC(=O)CCCCc1ccc2CCCNc2n1)c1cccc(c1)C#N
BDBM50497636 OC(=O)CC(NC(=O)CCCCc1ccc2CCCNc2n1)c1cccc(c1)C(F)(F)F
BDBM50497637 OC(=O)CC(NC(=O)CCCCc1ccc2CCCNc2n1)c1cc(Cl)cc(Cl)c1
BDBM50497714 COc1ccc(cc1)S(=O)(=O)N[C@@H](CNc1nc(C)nc(N2CCC(CC2)c2ccc3CCCNc3n2)c1C)C(O)=O |r|
BDBM50497715 [#6]-c1cc(-[#6])c(c(-[#6])c1)S(=O)(=O)[#7]-[#6@@H](-[#6]-[#7]-[#6](=O)-c1ccc(s1)-c1cccc(-[#6]\[#7]=[#6](\[#7])-[#7])c1)-[#6](-[#8])=O
BDBM50497716 CC(C)(C)c1cc(Br)cc(c1)[C@H](CC(O)=O)NC(=O)CNC(=O)c1cc(O)cc(NC2=NCC(O)CN2)c1 |r,t:31|
BDBM50497717 NC(=N)NCCCc1cn(CC(=O)N[C@@H](CC(O)=O)c2ccccc2)nn1 |r|
BDBM50497718 OC(=O)[C@H](CNC(=O)c1ccc(CN(Cc2nc3ccccc3[nH]2)C(=O)NC2CCCCC2)cc1)NC(=O)OCc1ccccc1 |r|
BDBM50497719 NC(=N)NCCCCC(=O)NCC(=O)NC(CC(O)=O)c1cccnc1
BDBM432092 OC1CNC(Nc2cc(O)cc(c2)C(=O)NCC(=O)N[C@@H](CC(O)=O)c2cc(Cl)cc(Br)c2O)=NC1 |r,c:35|
BDBM432093 OC1CNC(Nc2cc(O)cc(c2)C(=O)NCC(=O)N[C@@H](CC(O)=O)c2ccccc2)=NC1 |r,c:32|
BDBM432094 OC1CNC(Nc2cc(O)cc(c2)C(=O)NCC(=O)NC(CC(O)=O)c2cc(Cl)cc(Cl)c2O)=NC1 |c:35|
BDBM432095 Cc1cc(C)cc(c1)C(CC(O)=O)NC(=O)CNC(=O)c1cccc(NC(N)=N)c1
BDBM432096 NC(=N)Nc1cccc(c1)C(=O)NCC(=O)NC(CC(O)=O)c1ccccc1
BDBM432097 Cc1ccc(O)c(c1)C(CC(O)=O)NC(=O)CNC(=O)c1cc(O)cc(NC2=NCC(O)CN2)c1 |t:28|
BDBM432098 OC1CNC(Nc2cc(O)cc(c2)C(=O)NCC(=O)NC(CC(O)=O)c2cc(Br)cc(Br)c2O)=NC1 |c:35|
BDBM432099 Cc1ccc(O)c(c1)C(CC(O)=O)NC(=O)CNC(=O)c1cccc(NC(N)=N)c1
BDBM432100 NC(=N)Nc1cccc(c1)C(=O)NCC(=O)NC(CC(O)=O)c1cc(F)cc(c1)C(F)(F)F
BDBM432101 Cc1cc(Cl)cc([C@@H](CC(O)=O)NC(=O)CNC(=O)c2cc(O)cc(NC3=NCC(O)CN3)c2)c1O |r,t:26|
BDBM432102 Cc1cc(Cl)cc([C@@H](CC(O)=O)NC(=O)CNC(=O)c2cccc(NC3=NCCN3)c2)c1O |r,t:25|
BDBM50497606 COc1ccc(cc1)C(CC(O)=O)NC(=O)CCCCc1ccc2CCCNc2n1
BDBM50497607 COc1ccc(cc1OC)C(CC(O)=O)NC(=O)CCCCc1ccc2CCCNc2n1
BDBM50497613 OC(=O)CC(NC(=O)CCCCc1ccc2CCCNc2n1)c1cccc(Cl)c1Cl
BDBM50497614 OC(=O)CC(NC(=O)CCCCc1ccc2CCCNc2n1)c1ccc(Cl)c(Cl)c1
BDBM50497628 OC(=O)CC(NC(=O)CCCCc1ccc2CCCNc2n1)c1ccccc1Cl
BDBM50497629 Cc1cccc(c1)C(CC(O)=O)NC(=O)CCCCc1ccc2CCCNc2n1
BDBM50497630 OC(=O)CC(NC(=O)CCCCc1ccc2CCCNc2n1)c1ccc(OC(F)(F)F)cc1
BDBM50505772 Cc1ccccc1NC(=O)N1C(CC(O)=O)CC1=O
BDBM50505779 OC(=O)CC1CC(=O)N1
BDBM50505781 Cc1ccccc1NC(=O)N1[C@@H](CC1=O)C(O)=O |r|
BDBM50505782 Cc1ccccc1NC(=O)N1C(CC(=O)NCC(O)=O)CC1=O
BDBM50519159 C[N+]1(C[C@@H](CC([O-])=O)c2cccc(O[C@@H]3CCOC3)c2)CC[C@@H](CCc2ccc3CCCNc3n2)C1 |r|
BDBM50519160 Cc1cc(C)n(n1)-c1cccc(c1)[C@H](CC([O-])=O)C[N@@+]1(C)CC[C@@H](CCc2ccc3CCCNc3n2)C1 |r|
BDBM50519162 Cc1cc(C)n(n1)-c1cccc(c1)[C@H](CC([O-])=O)C[N@+]1(C)CC[C@@H](CCc2ccc3CCCNc3n2)C1 |r|
BDBM50519164 C[N+]1(C[C@@H](CC([O-])=O)c2cccc(c2)N2CCOCC2)CC[C@@H](CCc2ccc3CCCNc3n2)C1 |r|
BDBM50519165 CC[N@+]1(C[C@@H](CC([O-])=O)c2cccc(c2)-n2nc(C)cc2C)CC[C@@H](CCc2ccc3CCCNc3n2)C1 |r|
BDBM50519163 Cc1ccnn1-c1cccc(c1)[C@H](CC([O-])=O)C[N+]1(C)CC[C@@H](CCc2ccc3CCCNc3n2)C1 |r|
BDBM50530090 CC(C)C[C@@H]1NC(=O)CNC(=O)[C@H](CCCCNC(=O)CCCCCNC(=O)CCc2ccc3C=C4C(C)=CC(C)=[N+]4[B-](F)(F)n23)N(C)C(=O)[C@H]2CCCN2C(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(O)=O)NC(=O)CNC(=O)[C@H](CCCNC(N)=N)NC1=O |r,c:37,40,t:34|
BDBM50530099 CC(C)C[C@@H]1NC(=O)[C@H](CC(O)=O)NC(=O)CNC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CCCCN)N(C)C(=O)[C@H]2CCCN2C(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](C)NC1=O |r|
BDBM50530103 CC(C)C[C@@H]1NC(=O)CNC(=O)[C@@H]2CCCN2C(=O)[C@H]2CCCN2C(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(O)=O)NC(=O)CNC(=O)[C@H](CCCNC(N)=N)NC1=O |r|
BDBM50530110 CC(C)C[C@@H]1NC(=O)[C@H](CC(O)=O)NC(=O)CNC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](C)NC(=O)[C@@H]2CCCN2C(=O)[C@H]2CCCN2C(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](C)NC1=O |r|
BDBM50519161 OC(=O)C[C@H](CN1CC[C@@](F)(CCc2ccc3CCCNc3n2)C1)c1cccc(c1)N1CCOCC1 |r|
BDBM50530086 CC(C)C[C@@H]1NC(=O)CNC(=O)[C@H](CCCCNC(C)=O)N(C)C(=O)[C@H]2CCCN2C(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(O)=O)NC(=O)CNC(=O)[C@H](CCCNC(N)=N)NC1=O |r|
BDBM472699 NC(=N)Nc1cc(NC(=O)CCCNC(=O)C23CC4CC(CC(C4)C2)C3)cc(c1)C(=O)NCC(=O)NC[C@H](NC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccccc1)C(O)=O |r,TLB:19:20:24:23.17.18,23:22:25:19.17.18,23:18:25:24.22.21,THB:19:18:24:25.20.21|
BDBM50545180 OC(=O)C(F)(F)F.NC(=N)NCCC[C@@H]1NC(=O)CC2(CCCCC2)CNC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](CC(O)=O)NC(=O)CNC1=O |r|
BDBM50545183 [#8]-[#6](=O)C(F)(F)F.[H][C@]12[#6][Si;v4]([#6])([#6])[#6]-[#7]1-[#6](=O)-[#6@@H](-[#6]-c1ccccc1)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#8])=O)-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]-[#7]-[#6](-[#7])=[#7])-[#7]-[#6]2=O |r|
BDBM50545184 OC(=O)C(F)(F)F.NC(=N)NCCC[C@@H]1NC(=O)C2(CCCCC2)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](CC(O)=O)NC(=O)CNC1=O |r|
BDBM50545181 OC(=O)C(F)(F)F.CC1(C)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](CC(O)=O)NC(=O)CNC(=O)[C@H](CCCNC(N)=N)NC1=O |r|
BDBM50545182 OC(=O)C(F)(F)F.COc1c2NC(=O)[C@@H](Cc3ccccc3)NC(=O)[C@H](CC(O)=O)NC(=O)CNC(=O)[C@H](CCCNC(N)=N)NC(=O)c1ccc2 |r|
BDBM50550222 OC(=O)C(F)(F)F.Nc1ccc(CNC(=O)N2[C@@H](CC2=O)C(O)=O)cc1 |r|
BDBM50550223 OC(=O)C(F)(F)F.Nc1ccc(CNC(=O)N2C(CC(O)=O)CC2=O)cc1
BDBM50550224 OC(=O)C(F)(F)F.NCc1ccc(NC(=O)N2C(CC(=O)NCCC(O)=O)CC2=O)cc1
BDBM50550225 Cc1ccccc1NC(=O)N1C(CC(=O)NCCC(O)=O)CC1=O
BDBM50550226 OC(=O)C(F)(F)F.Nc1ccc(CNC(=O)N2C(CC(=O)NCCC(O)=O)CC2=O)cc1
BDBM50550227 OC(=O)CC1CC(=O)N1C(=O)NCc1ccccc1
BDBM50550228 Cc1ccccc1NC(=O)N1[C@@H](CC1=O)C(=O)NCCC(O)=O |r|
BDBM50555989 OC(=O)C[C@H](C(=O)N1CCCC(CCc2ccc3CCCNc3n2)C1)c1ccccc1 |r|
BDBM50555990 OC(=O)C[C@H](C(=O)N1CC[C@@H](CCc2ccc3CCCNc3n2)C1)c1ccccc1Br |r|
BDBM50555991 OC(=O)C[C@H](C(=O)N1CC[C@@H](CCc2ccc3CCCNc3n2)C1)c1cccc(Br)c1 |r|
BDBM50555993 OC(=O)C[C@@H](C(=O)N1CC[C@@H](CCc2ccc3CCCNc3n2)C1)c1cccc(Br)c1 |r|
BDBM50555985 OC(=O)C[C@H](C(=O)N1CC[C@@H](CCc2ccc3CCCNc3n2)C1)c1ccccc1 |r|
BDBM50555986 CN(CCCCc1ccc2CCCNc2n1)C(=O)[C@@H](CC(O)=O)c1ccccc1 |r|
BDBM50555987 OC(=O)C[C@H](C(=O)N1CC(CCc2ccc3CCCNc3n2)C1)c1ccccc1 |r|
BDBM50555988 OC(=O)C[C@H](C(=O)N1CC(CCCc2ccc3CCCNc3n2)C1)c1ccccc1 |r|
BDBM50555992 OC(=O)C[C@H](C(=O)N1CC[C@@H](CCc2ccc3CCCNc3n2)C1)c1ccc(Br)cc1 |r|
BDBM50555994 OC(=O)C[C@H](C(=O)N1CC[C@@H](CCc2ccc3CCCNc3n2)C1)c1cccc(O)c1 |r|
BDBM50555995 CC(=C)c1cccc(c1)[C@H](CC(O)=O)C(=O)N1CC[C@@H](CCc2ccc3CCCNc3n2)C1 |r|
BDBM50555996 OC(=O)C[C@H](C(=O)N1CC[C@@H](CCc2ccc3CCCNc3n2)C1)c1cccc(c1)C(F)(F)F |r|
BDBM50555997 OC(=O)C[C@H](C(=O)N1CC[C@@H](CCc2ccc3CCCNc3n2)C1)c1cccc(Cl)c1 |r|
BDBM50555998 OC(=O)C[C@H](C(=O)N1CC[C@@H](CCc2ccc3CCCNc3n2)C1)c1cccc(c1)C#N |r|
BDBM50555999 OC(=O)C[C@H](C(=O)N1CC[C@@H](CCc2ccc3CCCNc3n2)C1)c1cccc(c1)N1CCNCC1 |r|
BDBM50556000 CN1CCN(CC1)c1cccc(c1)[C@H](CC(O)=O)C(=O)N1CC[C@@H](CCc2ccc3CCCNc3n2)C1 |r|
BDBM50556004 OC(=O)C[C@H](C(=O)N1CC[C@@H](CCc2ccc3CCCNc3n2)C1)c1cccc(c1)C1CC1 |r|
BDBM50554030 NC(=N)Nc1cc(NC(=O)CNC(=O)C23CC4CC(CC(C4)C2)C3)cc(c1)C(=O)NCC(=O)NC[C@H](NC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccccc1)C(O)=O |r,TLB:12:14:17.16.21:19,THB:15:16:19:23.14.22,15:14:17.16.21:19,12:14:17:21.20.19,22:14:17:21.20.19,22:20:17:23.15.14|
BDBM50554031 NC(=N)Nc1cc(NC(=O)CCNC(=O)C23CC4CC(CC(C4)C2)C3)cc(c1)C(=O)NCC(=O)NC[C@H](NC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccccc1)C(O)=O |r,TLB:13:15:18:22.20.21,THB:20:19:16:22.21.23,20:21:18.19.24:16,23:21:18:24.15.16,23:15:18:22.20.21|
BDBM50556006 OC(=O)C[C@H](C(=O)N1CC[C@@H](CCc2ccc3CCCNc3n2)C1)c1cccc(c1)C1CCCC1 |r|
BDBM50556007 OC(=O)C[C@H](C(=O)N1CC[C@@H](CCc2ccc3CCCNc3n2)C1)c1cc(Br)cc(Br)c1 |r|
BDBM50556008 Cc1cc(C)cc(c1)[C@H](CC(O)=O)C(=O)N1CC[C@@H](CCc2ccc3CCCNc3n2)C1 |r|
BDBM50554032 NC(=N)Nc1cc(NC(=O)CCCC(=O)NC23CC4CC(CC(C4)C2)C3)cc(c1)C(=O)NCC(=O)NC[C@H](NC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccccc1)C(O)=O |r,TLB:15:16:19.18.23:21,THB:17:18:21:25.16.24,17:16:19.18.23:21,15:16:19:23.22.21,24:16:19:23.22.21,24:22:19:25.17.16|
BDBM50554033 NC(=N)Nc1cc(NC(=O)CCCCNC(=O)C23CC4CC(CC(C4)C2)C3)cc(c1)C(=O)NCC(=O)NC[C@H](NC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccccc1)C(O)=O |r,TLB:15:17:20:24.22.23,THB:22:21:18:24.23.25,22:23:20.21.26:18,25:23:20:26.17.18,25:17:20:24.22.23|
BDBM50556001 OC(=O)C[C@H](C(=O)N1CC[C@@H](CCc2ccc3CCCNc3n2)C1)c1cccc(c1)N1CCOCC1 |r|
BDBM50556002 OC(=O)C[C@H](C(=O)N1CC[C@@H](CCc2ccc3CCCNc3n2)C1)c1cccc(c1)-c1ccccc1 |r|
BDBM50556003 Cc1cccc(c1)[C@H](CC(O)=O)C(=O)N1CC[C@@H](CCc2ccc3CCCNc3n2)C1 |r|
BDBM50556005 OC(=O)C[C@H](C(=O)N1CC[C@@H](CCc2ccc3CCCNc3n2)C1)c1cccc(c1)C1=CCCC1 |r,t:34|
BDBM50556009 OC(=O)C[C@H](C(=O)N1CC[C@@H](CCc2ccc3CCCNc3n2)C1)c1cccs1 |r|
BDBM50556010 OC(=O)C[C@H](C(=O)N1CC[C@@H](CCc2ccc3CCCNc3n2)C1)c1ccsc1 |r|
BDBM50556011 OC(=O)C[C@H](C(=O)N1CC[C@@H](CCc2ccc3CCCNc3n2)C1)c1cc(Br)cs1 |r|
BDBM50556012 OC(=O)C[C@H](C(=O)N1CC[C@@H](CCc2ccc3CCCNc3n2)C1)c1ccc(Br)s1 |r|
BDBM50556013 Cc1ccc(s1)[C@H](CC(O)=O)C(=O)N1CC[C@@H](CCc2ccc3CCCNc3n2)C1 |r|
BDBM50556014 Cc1csc(c1)[C@H](CC(O)=O)C(=O)N1CC[C@@H](CCc2ccc3CCCNc3n2)C1 |r|
BDBM50589353 CC(C)C[C@@H]1NC(=O)[C@@H]2CSSC[C@H](OC(=O)CNC(=O)CNC(=O)CNC(=O)[C@@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H]3CCCN3C1=O)[C@H](C)O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)NCC(=O)N[C@@H](CC(O)=O)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](C(C)C)C(=O)N2 |r|
BDBM50589354 CC(C)C[C@@H]1NC(=O)[C@@H]2CSCc3cc4CSC[C@H](NC(=O)CNC(=O)CNC(=O)CNC(=O)[C@@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H]5CCCN5C1=O)[C@H](C)O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)NCC(=O)N[C@@H](CC(O)=O)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CSCc(c4)c3)C(=O)N[C@@H](CCCNC(N)=N)C(=O)NCC(=O)N[C@H](CC(O)=O)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@H](C(C)C)C(=O)N2 |r|
BDBM50589355 CC(C)C[C@@H]1NC(=O)[C@@H]2CSSC[C@@H]3NC(=O)[C@H](CSSC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](Cc4ccccc4)NC(=O)[C@H](CC(O)=O)NC(=O)CNC(=O)[C@H](CCCNC(N)=N)NC3=O)C(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)NCC(=O)N[C@@H](CC(O)=O)C(=O)N[C@H](Cc3ccccc3)C(=O)N[C@@H](C(C)C)C(=O)N2)NC(=O)CNC(=O)CNC(=O)[C@@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H]2CCCN2C1=O)[C@@H](C)O |r|