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48 SMILES Strings for Luteinizing hormone/Choriogonadotropin receptor

Compound NameSMILES String
BDBM50230124 CCNC(=O)[C@H]1CCCN1C(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccccc1)N(C)C(=O)[C@@H]1CCC(=O)N1 |wU:89.95,63.79,45.57,31.44,23.28,5.4,wD:57.63,12.20,77.83,(27.09,-8.95,;27.47,-10.44,;28.96,-10.86,;30.04,-11.96,;31.53,-11.6,;29.61,-13.45,;30.56,-14.67,;29.69,-15.95,;28.21,-15.53,;28.16,-13.97,;26.88,-13.11,;26.98,-11.58,;25.49,-13.78,;25.38,-15.33,;26.66,-16.2,;26.55,-17.73,;27.83,-18.59,;27.72,-20.13,;29,-21,;26.33,-20.8,;24.22,-12.92,;22.82,-13.6,;22.72,-15.13,;21.54,-12.73,;21.65,-11.2,;23.05,-10.52,;23.15,-8.98,;24.32,-11.38,;20.15,-13.41,;18.89,-12.55,;18.99,-11.01,;17.49,-13.23,;17.39,-14.76,;18.14,-16.08,;19.64,-16.43,;19.78,-17.94,;18.38,-18.56,;17.91,-20.01,;16.43,-20.33,;15.39,-19.17,;15.88,-17.73,;17.36,-17.42,;16.22,-12.36,;14.83,-13.03,;14.71,-14.57,;13.55,-12.17,;13.66,-10.62,;15.04,-9.95,;16.32,-10.81,;17.71,-10.14,;17.82,-8.6,;19.2,-7.93,;16.54,-7.74,;15.16,-8.42,;12.16,-12.85,;10.88,-11.97,;10.99,-10.44,;9.49,-12.65,;9.39,-14.19,;10.67,-15.06,;8.21,-11.79,;6.83,-12.46,;6.71,-14.01,;5.54,-11.6,;5.65,-10.07,;7.05,-9.39,;8.58,-9.18,;8.85,-7.67,;7.49,-6.93,;7.12,-5.44,;5.63,-5,;4.53,-6.07,;4.89,-7.56,;6.37,-8,;4.17,-12.27,;2.88,-11.41,;3,-9.87,;1.49,-12.09,;1.38,-13.62,;2.15,-14.95,;1.37,-16.26,;2.12,-17.59,;3.65,-17.59,;4.41,-16.27,;3.66,-14.95,;.22,-11.23,;.31,-9.7,;-1.18,-11.9,;-1.28,-13.44,;-2.34,-11.11,;-2.34,-9.69,;-3.87,-9.46,;-4.55,-10.83,;-6.06,-11.09,;-3.45,-11.92,)|
BDBM50230120 CCNC(=O)[C@H]1CCCN1C(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)N(C)C(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@@H]1CCC(=O)N1 |wU:64.80,45.57,31.44,23.28,5.4,88.94,wD:78.91,12.20,57.61,(25.64,-6.44,;26.03,-7.92,;27.52,-8.34,;28.58,-9.43,;30.09,-9.08,;28.17,-10.92,;29.11,-12.14,;28.24,-13.43,;26.77,-13,;26.7,-11.45,;25.43,-10.59,;25.54,-9.05,;24.05,-11.27,;23.94,-12.8,;25.22,-13.67,;25.1,-15.21,;26.38,-16.06,;26.26,-17.6,;27.56,-18.46,;24.89,-18.28,;22.77,-10.4,;21.39,-11.07,;21.27,-12.61,;20.11,-10.2,;20.2,-8.67,;21.6,-7.99,;22.87,-8.85,;21.71,-6.46,;18.72,-10.89,;17.44,-10.03,;17.55,-8.48,;16.05,-10.7,;15.95,-12.23,;16.7,-13.56,;18.2,-13.91,;18.35,-15.42,;16.95,-16.04,;16.47,-17.49,;14.98,-17.81,;13.96,-16.65,;14.44,-15.21,;15.93,-14.9,;14.77,-9.83,;13.39,-10.5,;13.28,-12.05,;12.12,-9.64,;12.22,-8.11,;13.61,-7.44,;13.72,-5.9,;15.1,-5.21,;16.37,-6.08,;17.77,-5.41,;16.27,-7.62,;14.89,-8.3,;10.73,-10.31,;9.45,-9.46,;9.55,-7.9,;8.06,-10.13,;7.95,-11.66,;9.24,-12.54,;6.79,-9.27,;6.88,-7.74,;5.39,-9.94,;5.28,-11.48,;4.12,-9.08,;4.23,-7.54,;5.62,-6.87,;7.15,-6.65,;7.41,-5.14,;6.06,-4.41,;5.7,-2.91,;4.21,-2.48,;3.1,-3.55,;3.47,-5.05,;4.94,-5.48,;2.74,-9.75,;1.45,-8.89,;1.56,-7.34,;.08,-9.56,;-.04,-11.1,;1.24,-11.96,;1.28,-13.51,;2.77,-13.94,;3.63,-12.66,;2.68,-11.43,;-1.21,-8.71,;-2.59,-9.38,;-2.71,-10.92,;-3.76,-8.59,;-3.76,-7.16,;-5.29,-6.93,;-5.97,-8.31,;-7.49,-8.57,;-4.87,-9.39,)|
BDBM50230129 CC(C)C[C@H](NC(=O)[C@@H](Cc1ccc2ccccc2c1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)N(C)C(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@@H]1CCC(=O)N1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N1CCC[C@@H]1C(=O)NCC(O)=O |wU:42.57,23.34,8.21,4.4,89.97,66.71,wD:56.68,75.81,35.38,(22.87,-8.85,;21.6,-7.99,;21.71,-6.46,;20.2,-8.67,;20.11,-10.2,;18.72,-10.89,;17.44,-10.03,;17.55,-8.48,;16.05,-10.7,;15.95,-12.23,;16.7,-13.56,;18.23,-13.58,;19,-14.91,;18.21,-16.25,;18.95,-17.58,;18.18,-18.9,;16.64,-18.88,;15.89,-17.55,;16.68,-16.23,;15.91,-14.89,;14.77,-9.83,;13.39,-10.5,;13.28,-12.05,;12.12,-9.64,;12.22,-8.11,;13.61,-7.44,;14.89,-8.3,;16.27,-7.62,;16.37,-6.08,;17.77,-5.41,;15.1,-5.21,;13.72,-5.9,;10.73,-10.31,;9.45,-9.46,;9.55,-7.9,;8.06,-10.13,;7.95,-11.66,;9.24,-12.54,;6.79,-9.27,;6.88,-7.74,;5.39,-9.94,;5.28,-11.48,;4.12,-9.08,;4.23,-7.54,;5.62,-6.87,;7.15,-6.65,;7.41,-5.14,;6.06,-4.41,;5.7,-2.91,;4.21,-2.48,;3.1,-3.55,;3.47,-5.05,;4.94,-5.48,;2.74,-9.75,;1.45,-8.89,;1.56,-7.34,;.08,-9.56,;-.04,-11.1,;1.24,-11.96,;1.28,-13.51,;2.77,-13.94,;3.63,-12.66,;2.68,-11.43,;-1.21,-8.71,;-2.59,-9.38,;-2.71,-10.92,;-3.76,-8.59,;-3.76,-7.16,;-5.29,-6.93,;-5.97,-8.31,;-7.49,-8.57,;-4.87,-9.39,;21.39,-11.07,;21.27,-12.61,;22.77,-10.4,;24.05,-11.27,;23.94,-12.8,;25.22,-13.67,;25.1,-15.21,;26.38,-16.06,;26.26,-17.6,;27.56,-18.46,;24.89,-18.28,;25.43,-10.59,;25.54,-9.05,;26.7,-11.45,;26.77,-13,;28.24,-13.43,;29.11,-12.14,;28.17,-10.92,;28.58,-9.43,;30.09,-9.08,;27.52,-8.34,;26.03,-7.92,;25.64,-6.44,;24.17,-6.02,;26.73,-5.36,)|
BDBM50452577 CCNC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)[C@@H](N)Cc1c[nH]c2ccccc12 |wU:5.4,57.60,39.40,23.24,31.32,wD:51.53,12.13,(30.12,-15.49,;28.63,-15.1,;28.24,-13.6,;26.77,-13.21,;25.67,-14.29,;26.37,-11.71,;27.35,-10.52,;26.51,-9.24,;25.01,-9.62,;24.93,-11.16,;23.62,-10.39,;23.63,-8.86,;22.28,-11.16,;22.25,-12.7,;23.59,-13.49,;23.56,-15.03,;24.88,-15.81,;24.87,-17.35,;23.53,-18.08,;26.19,-18.12,;20.94,-10.36,;19.61,-11.16,;19.62,-12.7,;18.28,-10.39,;18.25,-8.86,;19.58,-8.09,;19.56,-6.55,;20.93,-8.82,;16.95,-11.18,;15.61,-10.43,;15.59,-8.89,;14.27,-11.19,;14.27,-12.73,;15.64,-13.5,;16.96,-12.72,;15.64,-15.04,;12.93,-10.43,;11.61,-11.23,;11.61,-12.77,;10.25,-10.46,;10.25,-8.92,;11.58,-8.14,;11.57,-6.6,;12.89,-5.81,;14.24,-6.58,;15.55,-5.8,;14.26,-8.12,;12.93,-8.89,;8.94,-11.23,;7.59,-10.49,;7.57,-8.95,;6.26,-11.28,;6.26,-12.8,;7.61,-13.57,;4.94,-10.51,;3.59,-11.29,;3.6,-12.83,;2.25,-10.52,;.93,-11.31,;2.24,-8.98,;.91,-8.24,;-.51,-8.86,;-1.56,-7.73,;-.79,-6.39,;-1.27,-4.91,;-.25,-3.76,;1.26,-4.08,;1.74,-5.54,;.72,-6.71,)|
BDBM50452578 CCNC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)\C=C\c1ccc(OC)cc1 |wU:5.4,31.32,45.48,23.24,wD:57.61,12.13,(32.42,-18.05,;30.95,-17.64,;30.56,-16.16,;29.08,-15.75,;27.97,-16.84,;28.67,-14.27,;29.66,-13.08,;28.82,-11.78,;27.33,-12.16,;27.23,-13.7,;25.91,-12.93,;25.94,-11.39,;24.59,-13.7,;24.57,-15.24,;25.88,-16.04,;25.85,-17.57,;27.2,-18.35,;27.17,-19.89,;25.84,-20.65,;28.5,-20.68,;23.24,-12.92,;21.91,-13.7,;21.94,-15.24,;20.58,-12.95,;20.56,-11.39,;21.88,-10.62,;23.22,-11.38,;21.88,-9.08,;19.25,-13.73,;17.9,-12.96,;17.9,-11.42,;16.59,-13.75,;16.59,-15.29,;17.93,-16.04,;19.34,-15.42,;20.37,-16.55,;19.62,-17.89,;20.11,-19.36,;19.09,-20.5,;17.57,-20.21,;17.09,-18.73,;18.09,-17.58,;15.24,-12.99,;13.91,-13.76,;13.92,-15.3,;12.55,-13.02,;12.55,-11.46,;13.88,-10.69,;15.23,-11.45,;16.55,-10.65,;16.54,-9.12,;17.87,-8.35,;15.21,-8.37,;13.86,-9.15,;11.23,-13.8,;9.89,-13.03,;9.89,-11.49,;8.57,-13.83,;8.57,-15.36,;9.92,-16.1,;7.22,-13.06,;5.88,-13.83,;5.91,-15.39,;4.55,-13.08,;3.22,-13.86,;1.89,-13.09,;.58,-13.86,;-.76,-13.11,;-.79,-11.55,;-2.11,-10.8,;-3.43,-11.58,;.56,-10.78,;1.89,-11.55,)|
BDBM50405774 [#6]-[#6]-[#7]-[#6](=O)-[#6@@H]-1-[#6]-[#6]-[#6]-[#7]-1-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#6])-[#6])-[#7]-[#6](=O)-[#6@@H](-[#6]-c1ccccc1)-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccc(-[#8])cc1)-[#7]-[#6](=O)-[#6@H](-[#6]-[#8])-[#7]-[#6](=O)-[#6]-c1cccc2ccccc12
BDBM50405771 [#6]-[#6]-[#7]-[#6](=O)-[#6@@H]-1-[#6]-[#6]-[#6]-[#7]-1-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#6])-[#6])-[#7]-[#6](=O)-[#6@@H](-[#6]-[#6](-[#6])-[#6])-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccc(-[#8])cc1)-[#7]-[#6](=O)-[#6@H](-[#6]-[#8])-[#7]-[#6](=O)\[#6]=[#6]\c1cccc2ccccc12
BDBM50405778 [#6]-[#6]-[#7]-[#6](=O)-[#6@@H]-1-[#6]-[#6]-[#6]-[#7]-1-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#6])-[#6])-[#7]-[#6](=O)-[#6@@H](-[#6]-[#6]-1-[#6]-[#6]-[#6]-[#6]-[#6]-1)-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccc(-[#8])cc1)-[#7]-[#6](=O)-[#6@H](-[#6]-[#8])-[#7]-[#6](=O)-[#6]-c1cccc2ccccc12
BDBM50405780 [#6]-[#6]-[#7]-[#6](=O)-[#6@@H]-1-[#6]-[#6]-[#6]-[#7]-1-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#6])-[#6])-[#7]-[#6](=O)-[#6@@H](-[#6]-[#6](-[#6])-[#6])-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccc(-[#8])cc1)-[#7]-[#6](=O)-[#6@H](-[#6]-[#8])-[#7]-[#6](=O)\[#6]=[#6]\c1cccnc1
BDBM50405773 [#6]-[#6]-[#7]-[#6](=O)-[#6@@H]-1-[#6]-[#6]-[#6]-[#7]-1-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#6])-[#6])-[#7]-[#6](=O)-[#6@@H](-[#6]-[#6](-[#6])-[#6])-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccc(-[#8])cc1)-[#7]-[#6](=O)-[#6@H](-[#6]-[#8])-[#7]-[#6](=O)-[#6]-[#6]-c1cccc2ccccc12
BDBM50405772 CCNC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)\C=C/c1ccc(OC)cc1 |wU:5.4,31.32,45.48,23.24,wD:57.61,12.13,(32.43,-18.06,;30.96,-17.65,;30.57,-16.16,;29.09,-15.76,;27.98,-16.85,;28.68,-14.27,;29.66,-13.08,;28.83,-11.78,;27.33,-12.17,;27.24,-13.7,;25.92,-12.93,;25.94,-11.4,;24.6,-13.7,;24.58,-15.24,;25.89,-16.05,;25.86,-17.57,;27.21,-18.35,;27.17,-19.89,;25.85,-20.65,;28.51,-20.68,;23.25,-12.92,;21.91,-13.7,;21.95,-15.24,;20.59,-12.96,;20.57,-11.4,;21.88,-10.63,;23.23,-11.38,;21.88,-9.09,;19.25,-13.74,;17.91,-12.97,;17.91,-11.43,;16.59,-13.76,;16.59,-15.3,;17.94,-16.05,;19.35,-15.43,;20.37,-16.56,;19.63,-17.89,;20.12,-19.37,;19.09,-20.5,;17.57,-20.21,;17.09,-18.74,;18.1,-17.58,;15.24,-13,;13.92,-13.77,;13.93,-15.31,;12.55,-13.02,;12.55,-11.46,;13.89,-10.69,;15.23,-11.45,;16.56,-10.66,;16.55,-9.12,;17.87,-8.35,;15.21,-8.37,;13.86,-9.15,;11.24,-13.8,;9.89,-13.03,;9.89,-11.49,;8.57,-13.83,;8.57,-15.36,;9.92,-16.11,;7.23,-13.06,;5.88,-13.83,;5.91,-15.39,;4.55,-13.08,;3.22,-13.86,;3.22,-15.4,;4.56,-16.14,;4.56,-17.68,;3.24,-18.47,;3.25,-19.99,;4.59,-20.76,;1.9,-17.71,;1.9,-16.17,)|
BDBM50405768 CCNC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)Cc1c[nH]c2ccccc12 |wU:5.4,39.40,23.24,31.32,wD:51.53,12.13,(33.09,-17.97,;31.6,-17.58,;31.21,-16.08,;29.74,-15.69,;28.64,-16.77,;29.34,-14.18,;30.31,-13,;29.48,-11.72,;27.97,-12.1,;27.9,-13.64,;26.58,-12.87,;26.59,-11.33,;25.25,-13.64,;25.22,-15.18,;26.55,-15.97,;26.53,-17.51,;27.84,-18.29,;27.83,-19.83,;26.5,-20.57,;29.16,-20.6,;23.9,-12.84,;22.58,-13.64,;22.59,-15.18,;21.24,-12.87,;21.21,-11.33,;22.54,-10.56,;23.89,-11.3,;22.52,-9.02,;19.91,-13.66,;18.57,-12.9,;18.55,-11.36,;17.23,-13.67,;17.25,-15.21,;18.58,-15.98,;19.86,-15.11,;18.76,-17.51,;15.88,-12.92,;14.57,-13.7,;14.57,-15.24,;13.21,-12.93,;13.21,-11.39,;14.54,-10.59,;14.53,-9.07,;15.85,-8.28,;17.2,-9.05,;18.51,-8.27,;17.22,-10.59,;15.88,-11.36,;11.9,-13.72,;10.55,-12.97,;10.53,-11.43,;9.21,-13.76,;9.24,-15.27,;10.56,-16.04,;7.89,-12.99,;6.54,-13.77,;6.55,-15.31,;5.21,-13,;3.88,-13.79,;3.76,-15.33,;2.29,-15.69,;1.45,-14.4,;-.03,-14.12,;-.57,-12.7,;.43,-11.51,;1.93,-11.78,;2.45,-13.22,)|
BDBM50405783 CCNC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)Cc1cccc2ccccc12 |wU:5.4,31.32,45.48,23.24,wD:57.61,12.13,(27.95,-13.77,;26.48,-13.39,;26.09,-11.88,;24.61,-11.5,;23.49,-12.58,;24.2,-9.99,;25.18,-8.8,;24.35,-7.52,;22.85,-7.9,;22.76,-9.44,;21.44,-8.67,;21.46,-7.13,;20.11,-9.44,;20.09,-10.98,;21.41,-11.77,;21.4,-13.31,;22.72,-14.09,;22.69,-15.63,;21.37,-16.37,;24.03,-16.4,;18.77,-8.64,;17.43,-9.44,;17.46,-10.98,;16.1,-8.67,;16.08,-7.13,;17.4,-6.36,;18.75,-7.1,;17.4,-4.82,;14.77,-9.46,;13.42,-8.7,;13.42,-7.16,;12.1,-9.47,;12.1,-11.01,;13.45,-11.78,;14.86,-11.14,;15.89,-12.29,;15.14,-13.61,;15.63,-15.09,;14.61,-16.24,;13.09,-15.94,;12.61,-14.48,;13.61,-13.31,;10.76,-8.73,;9.43,-9.51,;9.44,-11.05,;8.06,-8.74,;8.06,-7.2,;9.4,-6.42,;9.38,-4.88,;10.73,-4.09,;12.06,-4.85,;13.39,-4.07,;12.07,-6.39,;10.75,-7.16,;6.75,-9.53,;5.4,-8.77,;5.4,-7.23,;4.09,-9.56,;4.09,-11.08,;5.43,-11.85,;2.74,-8.79,;1.39,-9.57,;1.42,-11.11,;.06,-8.8,;-1.27,-9.59,;-1.25,-11.11,;-2.59,-11.88,;-3.94,-11.13,;-3.94,-9.59,;-5.25,-8.83,;-5.28,-7.29,;-3.94,-6.52,;-2.62,-7.28,;-2.6,-8.82,)|
BDBM50405787 CCNC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](CC1CCCCC1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)CCc1c[nH]c2ccccc12 |wU:5.4,42.44,31.32,23.24,wD:54.57,12.13,(27.82,-9.83,;26.35,-9.43,;25.96,-7.93,;24.48,-7.54,;23.37,-8.61,;24.07,-6.04,;25.05,-4.85,;24.22,-3.56,;22.72,-3.95,;22.63,-5.49,;21.31,-4.72,;21.33,-3.18,;19.99,-5.49,;19.96,-7.03,;21.28,-7.81,;21.27,-9.35,;22.6,-10.14,;22.56,-11.68,;21.24,-12.43,;23.9,-12.46,;18.64,-4.69,;17.3,-5.49,;17.33,-7.03,;15.98,-4.73,;15.95,-3.19,;17.27,-2.41,;17.27,-.87,;18.62,-3.15,;14.64,-5.5,;13.29,-4.75,;13.29,-3.21,;11.98,-5.53,;11.98,-7.07,;13.32,-7.83,;14.63,-7.04,;15.95,-7.8,;15.99,-9.34,;14.66,-10.12,;13.32,-9.35,;10.63,-4.76,;9.3,-5.55,;9.31,-7.09,;7.93,-4.79,;7.93,-3.24,;9.27,-2.45,;9.25,-.91,;10.6,-.14,;11.93,-.9,;13.26,-.11,;11.94,-2.44,;10.62,-3.22,;6.62,-5.56,;5.27,-4.81,;5.27,-3.27,;3.96,-5.59,;3.96,-7.13,;5.3,-7.89,;2.61,-4.82,;1.26,-5.61,;1.29,-7.16,;-.06,-4.85,;-.09,-3.32,;-1.41,-2.55,;-2.84,-3.19,;-3.87,-2.05,;-3.1,-.71,;-3.59,.76,;-2.57,1.91,;-1.06,1.6,;-.57,.15,;-1.59,-1.03,)|
BDBM50405765 CCNC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)c1c[nH]c2ccccc12 |wU:5.4,39.40,31.32,23.24,wD:51.53,12.13,(33.1,-17.97,;31.6,-17.59,;31.22,-16.08,;29.74,-15.69,;28.64,-16.77,;29.35,-14.19,;30.32,-13,;29.49,-11.72,;27.98,-12.1,;27.9,-13.64,;26.59,-12.87,;26.6,-11.33,;25.25,-13.64,;25.22,-15.18,;26.56,-15.97,;26.54,-17.51,;27.85,-18.29,;27.84,-19.83,;26.5,-20.57,;29.17,-20.6,;23.91,-12.84,;22.58,-13.64,;22.59,-15.18,;21.24,-12.87,;21.21,-11.33,;22.55,-10.56,;22.53,-9.02,;23.89,-11.3,;19.92,-13.66,;18.57,-12.9,;18.55,-11.36,;17.23,-13.67,;17.26,-15.21,;18.58,-15.98,;19.86,-15.12,;18.76,-17.51,;15.89,-12.93,;14.57,-13.71,;14.57,-15.25,;13.21,-12.94,;13.21,-11.4,;14.54,-10.59,;15.89,-11.36,;17.22,-10.59,;17.2,-9.06,;18.52,-8.27,;15.86,-8.29,;14.53,-9.08,;11.9,-13.73,;10.55,-12.97,;10.53,-11.43,;9.22,-13.76,;9.24,-15.28,;10.56,-16.05,;7.89,-12.99,;6.54,-13.77,;6.55,-15.31,;5.21,-13,;3.8,-13.64,;2.77,-12.52,;3.53,-11.17,;3.05,-9.73,;4.05,-8.57,;5.56,-8.9,;6.04,-10.36,;5.01,-11.49,)|
BDBM50405781 CCNC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)[C@@H](N)Cc1c[nH]c2ccccc12 |wU:5.4,31.32,63.68,45.48,23.24,wD:57.61,12.13,(30.12,-15.49,;28.62,-15.1,;28.24,-13.6,;26.76,-13.21,;25.66,-14.29,;26.37,-11.71,;27.34,-10.52,;26.51,-9.24,;25,-9.62,;24.93,-11.16,;23.61,-10.39,;23.62,-8.85,;22.28,-11.16,;22.25,-12.7,;23.58,-13.49,;23.56,-15.03,;24.87,-15.81,;24.86,-17.34,;23.53,-18.08,;26.19,-18.11,;20.93,-10.36,;19.61,-11.16,;19.62,-12.7,;18.27,-10.39,;18.24,-8.85,;19.58,-8.08,;19.56,-6.55,;20.92,-8.82,;16.95,-11.18,;15.6,-10.42,;15.58,-8.89,;14.27,-11.19,;14.29,-12.73,;15.61,-13.5,;17.02,-12.86,;18.07,-14,;17.31,-15.33,;17.79,-16.8,;16.77,-17.95,;15.26,-17.65,;14.78,-16.19,;15.8,-15.03,;12.92,-10.42,;11.61,-11.22,;11.61,-12.76,;10.25,-10.46,;10.25,-8.92,;11.58,-8.14,;11.57,-6.6,;12.89,-5.81,;14.24,-6.58,;15.55,-5.8,;14.26,-8.12,;12.92,-8.89,;8.94,-11.22,;7.59,-10.49,;7.57,-8.95,;6.26,-11.28,;6.26,-12.79,;7.6,-13.56,;4.93,-10.51,;3.59,-11.29,;3.6,-12.83,;2.25,-10.52,;.93,-11.31,;2.24,-8.98,;.91,-8.23,;-.51,-8.85,;-1.56,-7.73,;-.79,-6.39,;-1.27,-4.91,;-.25,-3.76,;1.26,-4.08,;1.74,-5.54,;.72,-6.71,)|
BDBM50405775 CCNC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)CCc1c[nH]c2ccccc12 |wU:5.4,42.44,31.32,23.24,wD:54.57,12.13,(27.82,-9.83,;26.35,-9.43,;25.96,-7.93,;24.48,-7.54,;23.37,-8.61,;24.07,-6.04,;25.05,-4.85,;24.22,-3.56,;22.72,-3.95,;22.63,-5.49,;21.31,-4.72,;21.33,-3.18,;19.99,-5.49,;19.96,-7.03,;21.28,-7.81,;21.27,-9.35,;22.6,-10.14,;22.56,-11.68,;21.24,-12.43,;23.9,-12.46,;18.64,-4.69,;17.3,-5.49,;17.33,-7.03,;15.98,-4.73,;15.95,-3.19,;17.27,-2.41,;17.27,-.87,;18.62,-3.15,;14.64,-5.5,;13.29,-4.75,;13.29,-3.21,;11.98,-5.53,;11.98,-7.07,;13.32,-7.83,;14.63,-7.04,;15.95,-7.8,;15.99,-9.34,;14.66,-10.12,;13.32,-9.35,;10.63,-4.76,;9.3,-5.55,;9.31,-7.09,;7.93,-4.79,;7.93,-3.24,;9.27,-2.45,;9.25,-.91,;10.6,-.14,;11.93,-.9,;13.26,-.11,;11.94,-2.44,;10.62,-3.22,;6.62,-5.56,;5.27,-4.81,;5.27,-3.27,;3.96,-5.59,;3.96,-7.13,;5.3,-7.89,;2.61,-4.82,;1.26,-5.61,;1.29,-7.16,;-.06,-4.85,;-.09,-3.32,;-1.41,-2.55,;-2.84,-3.19,;-3.87,-2.05,;-3.1,-.71,;-3.59,.76,;-2.57,1.91,;-1.06,1.6,;-.57,.15,;-1.59,-1.03,)|
BDBM50405762 CCNC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)Cc1ccc2ccccc2c1 |wU:5.4,31.32,45.48,23.24,wD:57.61,12.13,(28.66,-14.42,;27.18,-14.02,;26.8,-12.52,;25.31,-12.13,;24.2,-13.2,;24.91,-10.63,;25.87,-9.44,;25.06,-8.15,;23.56,-8.53,;23.46,-10.07,;22.15,-9.3,;22.17,-7.76,;20.82,-10.07,;20.8,-11.61,;22.12,-12.39,;22.1,-13.93,;23.43,-14.73,;23.4,-16.27,;22.07,-17.01,;24.74,-17.05,;19.47,-9.28,;18.14,-10.07,;18.17,-11.61,;16.81,-9.31,;16.79,-7.77,;18.11,-6.99,;19.45,-7.74,;18.11,-5.45,;15.47,-10.08,;14.13,-9.34,;14.13,-7.8,;12.81,-10.12,;12.81,-11.66,;14.16,-12.42,;15.57,-11.79,;16.6,-12.91,;15.85,-14.26,;16.34,-15.73,;15.31,-16.88,;13.8,-16.57,;13.31,-15.11,;14.32,-13.93,;11.46,-9.35,;10.14,-10.14,;10.15,-11.68,;8.77,-9.38,;8.77,-7.83,;10.11,-7.04,;11.45,-7.81,;12.78,-7.03,;12.77,-5.49,;14.1,-4.69,;11.43,-4.73,;10.08,-5.5,;7.45,-10.15,;6.11,-9.4,;6.11,-7.86,;4.79,-10.18,;4.79,-11.72,;6.14,-12.48,;3.44,-9.41,;2.1,-10.2,;2.13,-11.75,;.77,-9.44,;-.57,-10.21,;-.55,-11.75,;-1.88,-12.52,;-3.23,-11.75,;-4.54,-12.52,;-5.86,-11.77,;-5.87,-10.23,;-4.54,-9.46,;-3.23,-10.21,;-1.89,-9.44,)|
BDBM50405777 CCNC(=O)C1CCCN1C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](Cc1ccc2ccccc2c1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](COCc1ccccc1)NC(=O)Cc1cccc2ccccc12
BDBM50405779 CCNC(=O)C1CCCN1C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](COCc1ccccc1)NC(=O)Cc1cccc2ccccc12
BDBM50405782 CCNC(=O)C1CCCN1C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](Cc1ccc2ccccc2c1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)CCCc1c[nH]c2ccccc12
BDBM50405784 CCNC(=O)C1CCCN1C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](COCc1ccccc1)NC(=O)Cc1cccc2ccccc12
BDBM50405785 CCNC(=O)C1CCCN1C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](Cc1ccc2ccccc2c1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)Cc1cccc2ccccc12
BDBM50405786 CCNC(=O)C1CCCN1C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](Cc1ccc2ccccc2c1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)CCc1c[nH]c2ccccc12
BDBM50405789 CC(C)C[C@H](NC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](Cc1ccc(Cl)cc1)NC(=O)[C@@H](Cc1ccc(Cl)cc1)NC(C)=O)C(=O)N[C@H](CCCNC(N)=N)C(=O)N1CCC[C@@H]1C(=O)N[C@H](C)C(N)=O
BDBM50405763 CCNC(=O)C1CCCN1C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)COc1cccc2ccccc12
BDBM50405764 CCNC(=O)C1CCCN1C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](COCc1ccccc1)NC(=O)Cc1cccc2ccccc12
BDBM50405766 CCNC(=O)C1CCCN1C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](COCc1ccccc1)NC(=O)CCc1cccc2ccccc12
BDBM50405767 CCNC(=O)C1CCCN1C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)CC12CC3CC(CC(C3)C1)C2 |TLB:71:70:73:66.65.67,71:66:73:70.72.69,THB:69:68:65:70.72.71,69:70:65:68.73.67|
BDBM50405769 CCNC(=O)C1CCCN1C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)CCc1cccc2ccccc12
BDBM50405770 CCNC(=O)C1CCCN1C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](Cc1ccc2ccccc2c1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)CCc1cccc2ccccc12
BDBM50422274 CC(C)C[C@H](NC(=O)CNC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H]1CCC(=O)N1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)NCC(N)=O
BDBM50227965 [#6]-[#6]-[#7]-[#6](=O)-[#6]-1-[#6]-[#6]-[#6]-[#7]-1-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#6])-[#6])-[#7]-[#6](=O)-[#6@@H](-[#6]-[#6](-[#6])-[#6])-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccc(-[#8])cc1)-[#7]-[#6](=O)-[#6@H](-[#6]-[#8]-[#6]-c1ccccc1)-[#7]-[#6](=O)-[#6]-[#6]-c1cccc2ccccc12
BDBM50227959 CCNC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)CCc1c[nH]c2ccccc12 |wU:5.4,31.32,45.48,23.24,wD:57.61,12.13,(27.82,-9.83,;26.35,-9.43,;25.96,-7.93,;24.48,-7.54,;23.37,-8.61,;24.07,-6.04,;25.05,-4.85,;24.22,-3.56,;22.72,-3.95,;22.63,-5.49,;21.31,-4.72,;21.33,-3.18,;19.99,-5.49,;19.96,-7.03,;21.28,-7.81,;21.27,-9.35,;22.6,-10.14,;22.56,-11.68,;21.24,-12.43,;23.9,-12.46,;18.64,-4.69,;17.3,-5.49,;17.33,-7.03,;15.98,-4.73,;15.95,-3.19,;17.27,-2.41,;17.27,-.87,;18.62,-3.15,;14.64,-5.5,;13.29,-4.75,;13.29,-3.21,;11.98,-5.53,;11.98,-7.07,;13.32,-7.83,;14.74,-7.2,;15.76,-8.32,;15.01,-9.67,;15.51,-11.14,;14.48,-12.29,;12.96,-11.98,;12.48,-10.52,;13.48,-9.35,;10.63,-4.76,;9.3,-5.55,;9.31,-7.09,;7.93,-4.79,;7.93,-3.24,;9.27,-2.45,;9.25,-.91,;10.6,-.14,;11.93,-.9,;13.26,-.11,;11.94,-2.44,;10.62,-3.22,;6.62,-5.56,;5.27,-4.81,;5.27,-3.27,;3.96,-5.59,;3.96,-7.13,;5.3,-7.89,;2.61,-4.82,;1.26,-5.61,;1.29,-7.16,;-.06,-4.85,;-.09,-3.32,;-1.41,-2.55,;-2.84,-3.19,;-3.87,-2.05,;-3.1,-.71,;-3.59,.76,;-2.57,1.91,;-1.06,1.6,;-.57,.15,;-1.59,-1.03,)|
BDBM50230119 CCNC(=O)[C@H]1CCCN1C(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(Cl)cc1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@@H]1CCC(=O)N1 |wU:39.49,57.68,23.28,31.36,5.4,79.82,wD:51.55,69.79,12.20,(29.65,-8.55,;30.04,-10.04,;31.53,-10.45,;32.6,-11.55,;34.09,-11.18,;32.18,-13.04,;33.11,-14.25,;32.25,-15.54,;30.77,-15.11,;30.72,-13.57,;29.44,-12.71,;29.55,-11.16,;28.05,-13.38,;27.95,-14.92,;29.23,-15.78,;29.12,-17.32,;30.4,-18.18,;30.28,-19.72,;31.56,-20.59,;28.9,-20.4,;26.77,-12.51,;25.39,-13.18,;25.28,-14.73,;24.12,-12.32,;24.22,-10.79,;25.61,-10.11,;26.89,-10.97,;25.72,-8.57,;22.72,-12.99,;21.45,-12.14,;21.54,-10.6,;20.06,-12.81,;19.94,-14.34,;20.71,-15.68,;19.93,-17.01,;22.24,-15.69,;18.78,-11.95,;17.39,-12.62,;17.27,-14.16,;16.11,-11.76,;16.22,-10.22,;17.61,-9.55,;17.71,-8,;19.1,-7.33,;20.38,-8.19,;21.77,-7.51,;20.27,-9.73,;18.89,-10.41,;14.73,-12.44,;13.44,-11.57,;13.55,-10.02,;12.06,-12.24,;11.95,-13.78,;13.23,-14.64,;10.78,-11.38,;9.39,-12.06,;9.28,-13.6,;8.11,-11.18,;8.22,-9.65,;9.3,-8.56,;10.79,-8.95,;11.87,-7.86,;11.46,-6.37,;12.55,-5.28,;9.97,-5.98,;8.9,-7.09,;6.72,-11.86,;5.44,-11,;5.56,-9.46,;4.07,-11.67,;3.95,-13.22,;5.23,-14.08,;5.28,-15.62,;6.76,-16.05,;7.63,-14.78,;6.68,-13.55,;2.77,-10.81,;1.39,-11.48,;1.29,-13.03,;.22,-10.69,;.22,-9.28,;-1.3,-9.05,;-1.99,-10.42,;-3.5,-10.67,;-.9,-11.51,)|
BDBM50230121 CCNC(=O)[C@H]1CCCN1C(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCC(=O)N1 |wU:39.49,57.71,31.36,23.28,5.4,82.86,wD:51.55,71.83,12.20,(27.09,-8.95,;27.46,-10.44,;28.95,-10.86,;30.04,-11.96,;31.53,-11.6,;29.6,-13.45,;30.55,-14.67,;29.69,-15.94,;28.21,-15.52,;28.15,-13.97,;26.88,-13.11,;26.98,-11.58,;25.49,-13.78,;25.37,-15.33,;26.65,-16.2,;26.55,-17.73,;27.83,-18.59,;27.71,-20.12,;29,-21,;26.33,-20.8,;24.21,-12.92,;22.82,-13.6,;22.72,-15.13,;21.54,-12.73,;21.65,-11.2,;23.04,-10.52,;24.32,-11.38,;23.14,-8.97,;20.15,-13.41,;18.89,-12.55,;18.99,-11.01,;17.49,-13.23,;17.38,-14.76,;18.15,-16.1,;17.36,-17.42,;19.68,-16.11,;16.21,-12.36,;14.83,-13.03,;14.71,-14.57,;13.55,-12.17,;13.66,-10.62,;15.04,-9.95,;15.15,-8.42,;16.54,-7.74,;17.82,-8.6,;19.2,-7.93,;17.71,-10.14,;16.31,-10.81,;12.16,-12.85,;10.88,-11.97,;10.99,-10.44,;9.49,-12.64,;9.38,-14.19,;10.67,-15.06,;8.21,-11.79,;6.83,-12.46,;6.71,-14.01,;5.54,-11.6,;5.65,-10.07,;7.05,-9.39,;8.58,-9.18,;8.85,-7.67,;7.49,-6.93,;7.12,-5.44,;5.63,-5,;4.53,-6.07,;4.89,-7.56,;6.37,-8,;4.17,-12.27,;2.88,-11.41,;3,-9.87,;1.49,-12.09,;1.38,-13.62,;2.14,-14.94,;3.65,-14.94,;4.41,-16.27,;3.65,-17.59,;2.12,-17.58,;1.37,-16.26,;.22,-11.23,;-1.18,-11.9,;-1.28,-13.43,;-2.34,-11.11,;-2.34,-9.69,;-3.87,-9.45,;-4.55,-10.83,;-6.06,-11.09,;-3.45,-11.92,)|
BDBM50230122 CCNC(=O)[C@H]1CCCN1C(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(OC)cc1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@@H]1CCC(=O)N1 |wU:39.49,57.69,23.28,31.36,5.4,80.83,wD:51.55,70.80,12.20,(24.19,-10.58,;24.58,-12.06,;26.07,-12.48,;27.14,-13.57,;28.64,-13.22,;26.72,-15.06,;27.66,-16.28,;26.79,-17.57,;25.32,-17.14,;25.25,-15.59,;23.98,-14.73,;24.09,-13.19,;22.6,-15.41,;22.49,-16.94,;23.77,-17.81,;23.65,-19.35,;24.93,-20.21,;24.81,-21.75,;26.11,-22.61,;23.44,-22.42,;21.32,-14.54,;19.94,-15.21,;19.82,-16.75,;18.66,-14.34,;18.75,-12.81,;20.14,-12.13,;21.42,-12.99,;20.26,-10.6,;17.26,-15.03,;15.99,-14.17,;16.1,-12.62,;14.59,-14.84,;14.49,-16.37,;15.26,-17.71,;16.79,-17.72,;14.48,-19.03,;13.32,-13.97,;11.94,-14.64,;11.82,-16.19,;10.66,-13.78,;10.76,-12.25,;12.15,-11.57,;13.43,-12.43,;14.82,-11.76,;14.92,-10.22,;16.31,-9.55,;13.64,-9.34,;12.26,-10.03,;9.27,-14.45,;7.99,-13.59,;8.09,-12.05,;6.6,-14.27,;6.49,-15.8,;7.78,-16.68,;5.33,-13.41,;3.93,-14.08,;3.82,-15.62,;2.66,-13.22,;2.77,-11.68,;3.84,-10.59,;5.34,-10.97,;6.42,-9.88,;6.02,-8.39,;7.08,-7.32,;6.67,-5.84,;4.51,-8.01,;3.45,-9.11,;1.28,-13.89,;-.02,-13.03,;.1,-11.48,;-1.39,-13.7,;-1.5,-15.24,;-.22,-16.1,;-.18,-17.65,;1.31,-18.08,;2.17,-16.8,;1.22,-15.57,;-2.67,-12.84,;-4.06,-13.52,;-4.17,-15.06,;-5.23,-12.73,;-5.23,-11.3,;-6.75,-11.06,;-7.43,-12.45,;-8.96,-12.7,;-6.34,-13.53,)|
BDBM50230125 CCNC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)CN(C)C(C)=O |wU:39.49,57.71,31.36,23.28,wD:51.55,12.20,5.4,71.82,(26.08,-5.67,;26.47,-7.16,;27.96,-7.58,;29.03,-8.67,;30.53,-8.31,;28.61,-10.15,;29.55,-11.37,;28.68,-12.66,;27.21,-12.23,;27.15,-10.69,;25.87,-9.83,;25.98,-8.29,;24.49,-10.5,;24.38,-12.03,;25.66,-12.91,;25.54,-14.44,;26.82,-15.3,;26.7,-16.84,;28,-17.7,;25.33,-17.51,;23.21,-9.63,;21.83,-10.31,;21.71,-11.85,;20.55,-9.43,;20.65,-7.9,;22.04,-7.23,;23.31,-8.09,;22.15,-5.7,;19.16,-10.12,;17.88,-9.26,;17.99,-7.71,;16.49,-9.94,;16.39,-11.47,;17.14,-12.8,;18.67,-12.82,;16.37,-14.14,;15.21,-9.06,;13.84,-9.73,;13.72,-11.28,;12.56,-8.88,;12.66,-7.34,;14.05,-6.67,;15.33,-7.53,;16.71,-6.86,;16.81,-5.32,;18.21,-4.64,;15.54,-4.44,;14.16,-5.13,;11.17,-9.55,;9.89,-8.69,;9.99,-7.15,;8.5,-9.36,;8.39,-10.9,;9.68,-11.77,;7.23,-8.5,;5.83,-9.18,;5.72,-10.71,;4.56,-8.31,;4.67,-6.78,;6.06,-6.11,;7.59,-5.88,;7.85,-4.37,;6.5,-3.64,;6.14,-2.14,;4.65,-1.72,;3.54,-2.79,;3.91,-4.28,;5.39,-4.71,;3.18,-8.98,;1.89,-8.12,;2,-6.58,;.52,-8.8,;.4,-10.34,;1.68,-11.2,;1.73,-12.74,;3.21,-13.17,;4.07,-11.89,;3.12,-10.66,;-.77,-7.94,;-2.15,-8.61,;-2.27,-10.15,;-3.32,-7.82,;-4.43,-8.62,;-4.55,-10.15,;-5.52,-7.54,;-7,-7.95,;-5.13,-6.07,)|
BDBM50230126 CCNC(=O)[C@H]1CCCN1C(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@@H]1CCC(=O)N1 |wU:39.49,57.71,31.36,23.28,5.4,81.85,wD:51.55,71.82,12.20,(25.64,-6.44,;26.03,-7.92,;27.52,-8.34,;28.58,-9.43,;30.09,-9.08,;28.17,-10.92,;29.11,-12.14,;28.24,-13.43,;26.77,-13,;26.7,-11.45,;25.43,-10.59,;25.54,-9.05,;24.05,-11.27,;23.94,-12.8,;25.22,-13.67,;25.1,-15.21,;26.38,-16.06,;26.26,-17.6,;27.56,-18.46,;24.89,-18.28,;22.77,-10.4,;21.39,-11.07,;21.27,-12.61,;20.11,-10.2,;20.2,-8.67,;21.6,-7.99,;22.87,-8.85,;21.71,-6.46,;18.72,-10.89,;17.44,-10.03,;17.55,-8.48,;16.05,-10.7,;15.95,-12.23,;16.71,-13.56,;18.25,-13.58,;15.93,-14.89,;14.77,-9.83,;13.39,-10.5,;13.28,-12.05,;12.12,-9.64,;12.22,-8.11,;13.61,-7.44,;14.89,-8.3,;16.27,-7.62,;16.37,-6.08,;17.77,-5.41,;15.1,-5.21,;13.72,-5.9,;10.73,-10.31,;9.45,-9.46,;9.55,-7.9,;8.06,-10.13,;7.95,-11.66,;9.24,-12.54,;6.79,-9.27,;5.39,-9.94,;5.28,-11.48,;4.12,-9.08,;4.23,-7.54,;5.62,-6.87,;7.15,-6.65,;7.41,-5.14,;6.06,-4.41,;5.7,-2.91,;4.21,-2.48,;3.1,-3.55,;3.47,-5.05,;4.94,-5.48,;2.74,-9.75,;1.45,-8.89,;1.56,-7.34,;.08,-9.56,;-.04,-11.1,;1.24,-11.96,;1.28,-13.51,;2.77,-13.94,;3.63,-12.66,;2.68,-11.43,;-1.21,-8.71,;-2.59,-9.38,;-2.71,-10.92,;-3.76,-8.59,;-3.76,-7.16,;-5.29,-6.93,;-5.97,-8.31,;-7.49,-8.57,;-4.87,-9.39,)|
BDBM50230127 CCNC(=O)[C@H]1CCCN1C(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCC(=O)N1 |wU:45.57,31.44,63.79,23.28,5.4,88.94,wD:57.63,77.91,12.20,(27.09,-8.95,;27.47,-10.44,;28.96,-10.86,;30.04,-11.96,;31.53,-11.6,;29.61,-13.45,;30.56,-14.67,;29.69,-15.95,;28.21,-15.53,;28.16,-13.97,;26.88,-13.11,;26.98,-11.58,;25.49,-13.78,;25.38,-15.33,;26.66,-16.2,;26.55,-17.73,;27.83,-18.59,;27.72,-20.13,;29,-21,;26.33,-20.8,;24.22,-12.92,;22.82,-13.6,;22.72,-15.13,;21.54,-12.73,;21.65,-11.2,;23.05,-10.52,;24.32,-11.38,;23.15,-8.98,;20.15,-13.41,;18.89,-12.55,;18.99,-11.01,;17.49,-13.23,;17.39,-14.76,;18.14,-16.08,;19.64,-16.43,;19.78,-17.94,;18.38,-18.56,;17.91,-20.01,;16.43,-20.33,;15.39,-19.17,;15.88,-17.73,;17.36,-17.42,;16.22,-12.36,;14.83,-13.03,;14.71,-14.57,;13.55,-12.17,;13.66,-10.62,;15.04,-9.95,;15.16,-8.42,;16.54,-7.74,;17.82,-8.6,;19.2,-7.93,;17.71,-10.14,;16.32,-10.81,;12.16,-12.85,;10.88,-11.97,;10.99,-10.44,;9.49,-12.65,;9.39,-14.19,;10.67,-15.06,;8.21,-11.79,;6.83,-12.46,;6.71,-14.01,;5.54,-11.6,;5.65,-10.07,;7.05,-9.39,;8.58,-9.18,;8.85,-7.67,;7.49,-6.93,;7.12,-5.44,;5.63,-5,;4.53,-6.07,;4.89,-7.56,;6.37,-8,;4.17,-12.27,;2.88,-11.41,;3,-9.87,;1.49,-12.09,;1.38,-13.62,;2.15,-14.95,;3.66,-14.95,;4.41,-16.27,;3.65,-17.59,;2.12,-17.59,;1.37,-16.26,;.22,-11.23,;-1.18,-11.9,;-1.28,-13.44,;-2.34,-11.11,;-2.34,-9.69,;-3.87,-9.46,;-4.55,-10.83,;-6.06,-11.09,;-3.45,-11.92,)|
BDBM50230128 CCNC(=O)[C@H]1CCCN1C(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)N(C)C(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)CN(C)C(C)=O |wU:64.80,45.57,31.44,23.28,5.4,wD:12.20,78.91,57.61,(25.45,-7.16,;25.84,-8.64,;27.33,-9.06,;28.4,-10.16,;29.9,-9.79,;27.98,-11.65,;28.92,-12.86,;28.05,-14.15,;26.58,-13.71,;26.52,-12.17,;25.24,-11.31,;25.35,-9.77,;23.86,-11.99,;23.75,-13.53,;25.03,-14.39,;24.91,-15.92,;26.19,-16.78,;26.07,-18.33,;27.37,-19.2,;24.7,-19,;22.58,-11.11,;21.2,-11.79,;21.08,-13.34,;19.92,-10.93,;20.01,-9.39,;21.4,-8.72,;21.52,-7.18,;22.68,-9.58,;18.52,-11.6,;17.25,-10.74,;17.35,-9.21,;15.85,-11.41,;15.75,-12.95,;16.5,-14.29,;18,-14.62,;18.15,-16.15,;16.76,-16.76,;16.27,-18.2,;14.78,-18.52,;13.76,-17.38,;14.24,-15.92,;15.74,-15.62,;14.57,-10.56,;13.2,-11.23,;13.08,-12.76,;11.92,-10.37,;12.02,-8.83,;13.41,-8.14,;13.52,-6.61,;14.9,-5.93,;16.18,-6.79,;17.57,-6.12,;16.08,-8.34,;14.69,-9.01,;10.53,-11.04,;9.25,-10.18,;9.35,-8.63,;7.86,-10.85,;7.74,-12.39,;9.04,-13.25,;6.58,-9.99,;6.68,-8.46,;5.19,-10.66,;5.07,-12.2,;3.91,-9.79,;4.03,-8.26,;5.41,-7.58,;6.95,-7.37,;7.21,-5.85,;5.85,-5.12,;5.49,-3.63,;4,-3.19,;2.89,-4.26,;3.26,-5.76,;4.74,-6.19,;2.53,-10.46,;1.24,-9.6,;1.36,-8.07,;-.13,-10.28,;-.25,-11.83,;1.03,-12.68,;1.08,-14.23,;2.56,-14.66,;3.42,-13.38,;2.47,-12.16,;-1.42,-9.42,;-2.8,-10.09,;-2.92,-11.64,;-3.97,-9.3,;-5.09,-10.11,;-5.2,-11.65,;-6.18,-9.02,;-5.5,-7.65,;-7.71,-9.28,)|
BDBM50230130 CCNC(=O)[C@H]1CCCN1C(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)N(C)C(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@@H]1CCC(=O)N1 |wU:58.72,39.49,31.36,23.28,5.4,82.86,wD:72.83,12.20,51.53,(25.64,-6.44,;26.03,-7.92,;27.52,-8.34,;28.58,-9.43,;30.09,-9.08,;28.17,-10.92,;29.11,-12.14,;28.24,-13.43,;26.77,-13,;26.7,-11.45,;25.43,-10.59,;25.54,-9.05,;24.05,-11.27,;23.94,-12.8,;25.22,-13.67,;25.1,-15.21,;26.38,-16.06,;26.26,-17.6,;27.56,-18.46,;24.89,-18.28,;22.77,-10.4,;21.39,-11.07,;21.27,-12.61,;20.11,-10.2,;20.2,-8.67,;21.6,-7.99,;21.71,-6.46,;22.87,-8.85,;18.72,-10.89,;17.44,-10.03,;17.55,-8.48,;16.05,-10.7,;15.95,-12.23,;16.71,-13.56,;18.25,-13.58,;15.93,-14.89,;14.77,-9.83,;13.39,-10.5,;13.28,-12.05,;12.12,-9.64,;12.22,-8.11,;13.61,-7.44,;13.72,-5.9,;15.1,-5.21,;16.37,-6.08,;17.77,-5.41,;16.27,-7.62,;14.89,-8.3,;10.73,-10.31,;9.45,-9.46,;9.55,-7.9,;8.06,-10.13,;7.95,-11.66,;9.24,-12.54,;6.79,-9.27,;6.88,-7.74,;5.39,-9.94,;5.28,-11.48,;4.12,-9.08,;4.23,-7.54,;5.62,-6.87,;7.15,-6.65,;7.41,-5.14,;6.06,-4.41,;5.7,-2.91,;4.21,-2.48,;3.1,-3.55,;3.47,-5.05,;4.94,-5.48,;2.74,-9.75,;1.45,-8.89,;1.56,-7.34,;.08,-9.56,;-.04,-11.1,;1.24,-11.96,;1.28,-13.51,;2.77,-13.94,;3.63,-12.66,;2.68,-11.43,;-1.21,-8.71,;-2.59,-9.38,;-2.71,-10.92,;-3.76,-8.59,;-3.76,-7.16,;-5.29,-6.93,;-5.97,-8.31,;-7.49,-8.57,;-4.87,-9.39,)|
BDBM50230123 CCNC(=O)[C@H]1CCCN1C(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1cccc2ccccc12)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@@H]1CCC(=O)N1 |wU:39.49,57.72,31.36,23.28,5.4,82.86,wD:51.55,72.83,12.20,(29.65,-8.55,;30.04,-10.04,;31.53,-10.45,;32.6,-11.55,;34.09,-11.18,;32.18,-13.04,;33.11,-14.25,;32.25,-15.54,;30.77,-15.11,;30.72,-13.57,;29.44,-12.71,;29.55,-11.16,;28.05,-13.38,;27.95,-14.92,;29.23,-15.78,;29.12,-17.32,;30.4,-18.18,;30.28,-19.72,;31.56,-20.59,;28.9,-20.4,;26.77,-12.51,;25.39,-13.18,;25.28,-14.73,;24.12,-12.32,;24.22,-10.79,;25.61,-10.11,;26.89,-10.97,;25.72,-8.57,;22.72,-12.99,;21.45,-12.14,;21.54,-10.6,;20.06,-12.81,;19.94,-14.34,;20.71,-15.68,;22.24,-15.69,;19.93,-17.01,;18.78,-11.95,;17.39,-12.62,;17.27,-14.16,;16.11,-11.76,;16.22,-10.22,;17.61,-9.55,;17.71,-8,;19.1,-7.33,;20.38,-8.19,;21.77,-7.51,;20.27,-9.73,;18.89,-10.41,;14.73,-12.44,;13.44,-11.57,;13.55,-10.02,;12.06,-12.24,;11.95,-13.78,;13.23,-14.64,;10.78,-11.38,;9.39,-12.06,;9.28,-13.6,;8.11,-11.18,;8.22,-9.65,;9.3,-8.56,;10.79,-8.95,;11.87,-7.86,;11.46,-6.37,;9.97,-5.99,;9.56,-4.51,;8.07,-4.14,;7,-5.24,;7.42,-6.71,;8.9,-7.09,;6.72,-11.86,;5.44,-11,;5.56,-9.46,;4.07,-11.67,;3.95,-13.22,;5.23,-14.08,;5.28,-15.62,;6.76,-16.05,;7.63,-14.78,;6.68,-13.55,;2.77,-10.81,;1.39,-11.48,;1.29,-13.03,;.22,-10.69,;.22,-9.28,;-1.3,-9.05,;-1.99,-10.42,;-3.5,-10.67,;-.9,-11.51,)|
BDBM50227961 CCNC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)CCc1c[nH]c2ccccc12 |wU:5.4,39.40,31.32,23.24,wD:51.53,12.13,(30.15,-15.5,;28.66,-15.12,;28.27,-13.61,;26.8,-13.23,;25.69,-14.31,;26.4,-11.72,;27.37,-10.53,;26.54,-9.25,;25.03,-9.63,;24.96,-11.17,;23.64,-10.4,;23.65,-8.86,;22.31,-11.17,;22.27,-12.71,;23.61,-13.5,;23.59,-15.04,;24.9,-15.83,;24.89,-17.37,;23.56,-18.1,;26.22,-18.14,;20.96,-10.37,;19.63,-11.17,;19.64,-12.71,;18.3,-10.4,;18.26,-8.86,;19.6,-8.09,;20.95,-8.83,;19.58,-6.55,;16.97,-11.2,;15.62,-10.44,;15.6,-8.9,;14.29,-11.21,;14.31,-12.75,;15.63,-13.52,;16.92,-12.65,;15.81,-15.04,;12.94,-10.44,;11.62,-11.24,;11.62,-12.78,;10.26,-10.47,;10.26,-8.93,;11.59,-8.15,;11.58,-6.61,;12.91,-5.82,;14.25,-6.59,;15.57,-5.81,;14.27,-8.13,;12.94,-8.9,;8.95,-11.24,;7.6,-10.5,;7.58,-8.96,;6.27,-11.29,;6.27,-12.81,;7.61,-13.58,;4.94,-10.52,;3.59,-11.3,;3.6,-12.84,;2.26,-10.53,;2.25,-8.99,;.91,-8.24,;-.5,-8.89,;-1.53,-7.74,;-.77,-6.39,;-1.25,-4.95,;-.25,-3.82,;1.26,-4.12,;1.74,-5.58,;.72,-6.72,)|
BDBM50227962 [#6]-[#6]-[#7]-[#6](=O)-[#6@@H]-1-[#6]-[#6]-[#6]-[#7]-1-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#6])-[#6])-[#7]-[#6](=O)-[#6@@H](-[#6]-[#6](-[#6])-[#6])-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccc(-[#8])cc1)-[#7]-[#6](=O)-[#6@H](-[#6]-[#8])-[#7]-[#6](=O)-[#6]-[#6]-c1cccnc1
BDBM50227963 [#6]-[#6]-[#7]-[#6](=O)-[#6@@H]-1-[#6]-[#6]-[#6]-[#7]-1-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#6])-[#6])-[#7]-[#6](=O)-[#6@@H](-[#6]-[#6](-[#6])-[#6])-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccc(-[#8])cc1)-[#7]-[#6](=O)-[#6@H](-[#6]-[#8])-[#7]-[#6](=O)-c1cccc2ccccc12
BDBM50227964 CCNC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)CCCc1c[nH]c2ccccc12 |wU:5.4,39.40,23.24,31.32,wD:51.53,12.13,(33.1,-17.97,;31.61,-17.59,;31.22,-16.08,;29.75,-15.7,;28.64,-16.78,;29.35,-14.19,;30.32,-13,;29.49,-11.72,;27.98,-12.1,;27.91,-13.64,;26.59,-12.87,;26.6,-11.33,;25.25,-13.64,;25.22,-15.18,;26.56,-15.97,;26.54,-17.51,;27.85,-18.29,;27.84,-19.83,;26.51,-20.57,;29.17,-20.6,;23.91,-12.84,;22.58,-13.64,;22.59,-15.18,;21.25,-12.87,;21.21,-11.33,;22.55,-10.56,;22.53,-9.02,;23.9,-11.3,;19.92,-13.66,;18.57,-12.91,;18.55,-11.37,;17.24,-13.68,;17.26,-15.22,;18.58,-15.98,;18.76,-17.51,;19.87,-15.12,;15.89,-12.93,;14.57,-13.71,;14.57,-15.25,;13.22,-12.94,;13.22,-11.4,;14.54,-10.6,;15.89,-11.37,;17.23,-10.6,;17.2,-9.06,;18.52,-8.28,;15.86,-8.29,;14.53,-9.08,;11.9,-13.73,;10.55,-12.97,;10.53,-11.43,;9.22,-13.76,;9.24,-15.28,;10.56,-16.05,;7.89,-12.99,;6.54,-13.77,;6.55,-15.31,;5.21,-13,;3.88,-13.79,;2.54,-13.03,;1.22,-13.8,;1.1,-15.34,;-.38,-15.73,;-1.21,-14.41,;-2.72,-14.16,;-3.23,-12.71,;-2.23,-11.53,;-.73,-11.8,;-.21,-13.25,)|
BDBM50227966 [#6]-[#6]-[#7]-[#6](=O)-[#6@@H]-1-[#6]-[#6]-[#6]-[#7]-1-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#6])-[#6])-[#7]-[#6](=O)-[#6@@H](-[#6]-[#6](-[#6])-[#6])-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccc(-[#8])cc1)-[#7]-[#6](=O)-[#6@H](-[#6]-[#8])-[#7]-[#6](=O)-[#6]-c1cccc2ccccc12