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552 SMILES Strings for Melanocortin receptor 1

Compound NameSMILES String
BDBM82411 CCCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(C)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(C)C)C(N)=O |r,wU:66.68,55.56,45.45,111.116,4.4,14.23,wD:77.79,95.99,107.113,36.36,8.10,26.29,(-7.66,4.36,;-8.98,3.65,;-9.15,2.12,;-10.5,1.37,;-10.5,-.23,;-11.93,-.94,;-13.21,-.15,;-13.17,1.41,;-14.6,-.83,;-14.64,-2.37,;-13.43,-3.18,;-15.78,-.09,;-17.19,-.68,;-17.34,-2.22,;-18.55,.02,;-18.4,1.67,;-17.08,2.44,;-17.08,3.97,;-15.61,4.72,;-14.35,3.82,;-13,4.55,;-14.45,2.26,;-15.78,1.52,;-19.9,-.62,;-21.14,.17,;-21.14,1.73,;-22.53,-.62,;-22.53,-2.12,;-21.33,-2.88,;-23.81,.17,;-25.13,-.41,;-26.27,.45,;-25.2,-1.9,;-9.26,-1,;-9.3,-2.5,;-7.94,-.34,;-6.59,-1.15,;-6.59,-2.71,;-7.94,-3.46,;-7.94,-5,;-9.3,-5.6,;-6.63,-5.81,;-5.24,-.34,;-5.2,1.15,;-3.86,-1.11,;-2.57,-.23,;-2.57,1.26,;-1.19,2.05,;.1,1.47,;1.29,2.58,;.52,3.87,;-.97,3.65,;-1.19,-1,;-1.19,-2.5,;.1,-.3,;1.55,-1.15,;1.55,-2.65,;2.79,-3.4,;2.79,-4.89,;4.22,-5.7,;5.56,-4.89,;5.56,-3.4,;4.22,-2.65,;2.79,-.34,;2.79,1.2,;4.22,-1,;5.33,-.09,;5.29,1.47,;6.63,2.26,;6.53,3.82,;7.81,4.72,;7.81,6.13,;9.13,7.03,;6.46,6.92,;6.85,-.73,;7,-2.37,;8,.13,;9.35,-.41,;9.69,-2.07,;10.95,-2.71,;12.29,-1.9,;13.51,-2.99,;12.83,-4.36,;13.43,-5.81,;12.55,-7.03,;10.95,-6.77,;10.33,-5.43,;11.29,-4.21,;10.69,.41,;10.48,2.16,;12.04,-.41,;13.38,.3,;14.58,-.51,;14.47,-2.03,;15.99,.17,;17.25,-.68,;17.25,-2.26,;18.49,-3.08,;18.45,-4.57,;19.73,-5.55,;19.69,-7.03,;18.66,.02,;18.77,1.52,;20.01,-.68,;20.09,-2.22,;21.72,-2.54,;22.29,-1.11,;21.5,-.09,;21.78,1.47,;20.65,2.84,;23.32,1.64,;23.83,2.97,;23,4.19,;23.6,5.58,;21.5,4.04,;25.41,3.12,;26.03,4.44,;26.27,1.94,)|
BDBM50029747 CSCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(C)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(C)C)C(N)=O
BDBM50033130 CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCC[C@@H](NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)[C@H](Cc2cnc[nH]2)NC1=O)C(N)=O
BDBM50033131 CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCC[C@@H](NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](Cc2ccc(I)cc2)NC(=O)[C@H](Cc2cnc[nH]2)NC1=O)C(N)=O
BDBM50033133 CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCC[C@@H](NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](Cc2ccc(F)cc2)NC(=O)[C@H](Cc2cnc[nH]2)NC1=O)C(N)=O
BDBM50033134 CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCC[C@@H](NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](Cc2cnc[nH]2)NC1=O)C(N)=O
BDBM50034910 CC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O
BDBM50034912 CC(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O
BDBM50034922 CC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O |r,wU:4.3,14.14,25.26,wD:36.37,(-8.22,-36.2,;-8.22,-37.74,;-9.55,-38.51,;-6.89,-38.5,;-5.56,-37.74,;-5.56,-36.2,;-4.23,-35.43,;-2.82,-36.06,;-1.79,-34.91,;-2.55,-33.58,;-4.06,-33.9,;-4.22,-38.5,;-4.22,-40.05,;-2.89,-37.73,;-1.56,-38.5,;-1.56,-40.04,;-.23,-40.81,;1.1,-40.05,;2.44,-40.82,;2.44,-42.35,;1.1,-43.12,;-.23,-42.35,;-.22,-37.73,;-.22,-36.19,;1.11,-38.5,;2.45,-37.74,;2.45,-36.2,;3.78,-35.43,;3.78,-33.89,;5.11,-33.12,;5.11,-31.58,;3.78,-30.82,;6.45,-30.82,;3.78,-38.51,;3.78,-40.05,;5.11,-37.73,;6.44,-38.51,;6.44,-40.05,;7.77,-40.82,;9.18,-40.2,;10.21,-41.34,;9.43,-42.67,;9.91,-44.14,;8.88,-45.29,;7.37,-44.97,;6.9,-43.5,;7.93,-42.35,;7.77,-37.74,;9.1,-38.51,;7.77,-36.2,)|
BDBM50058958 CC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(N)=O
BDBM50058963 CC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(N)=O
BDBM50082006 C[C@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(C)=O)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(N)=O
BDBM50082007 CC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(N)=O
BDBM50082008 CC(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(N)=O
BDBM50082009 CC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](Cc1ccccc1)C(=O)NCC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(N)=O
BDBM50082010 NCCCC[C@H]1NC(=O)[C@H](Cc2c[nH]c3ccccc23)SCCN(CCc2ccccc2)C1=O
BDBM50082011 C[C@H](NC(=O)[C@@H](Cc1ccccc1)NC(C)=O)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(N)=O
BDBM50082012 CC(=O)N[C@H](Cc1ccccc1)C(=O)NCC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(N)=O
BDBM50082013 CC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(N)=O
BDBM50082014 CC(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(N)=O
BDBM50082015 O=C1[C@H]2CCCN2C(=O)C(Cc2ccc3ccccc3c2)SCCN1Cc1c[nH]c2ccccc12
BDBM50026884 CSCC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C)C(=O)NCC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(O)=O
BDBM50100751 CC(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O
BDBM50100752 CCCC[C@H](NC(C)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(C)C)C(N)=O
BDBM50100753 CCCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(C)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O
BDBM50100754 CC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O
BDBM50100755 CC(C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)CNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(C)=O)C(N)=O
BDBM50100756 CCCC[C@H](NC(C)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(N)=O
BDBM50100757 CCCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(C)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(=O)N[C@@H](CCCCN)C(N)=O
BDBM50100758 CCCC[C@H](NC(C)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O
BDBM50106532 C[C@@H]1NC(=O)[C@@H](CC(N)=O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CSSC[C@@H](NC(=O)[C@@H](Cc2ccccc2)NC1=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(O)=O)NC(=O)[C@@H](N)Cc1ccc(O)cc1
BDBM50114733 CC(=O)N1Cc2ccccc2C[C@H]1C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O
BDBM50114734 CC(=O)N1Cc2ccccc2C[C@@H]1C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O
BDBM50114735 CC(=O)N[C@H](Cc1cnc[nH]1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O
BDBM50114736 CCCC[C@H](NC(C)=O)C(=O)N1[C@@H](CC(O)=O)C(=O)N[C@H](Cc2cnc[nH]2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@H](CCCNC(N)=N)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@H](CCCCN)C1=O
BDBM50114737 CC(=O)N[C@@H](Cc1ccc2ccccc2c1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O
BDBM50114738 CC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O
BDBM50114739 CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O
BDBM50114740 CC(=O)NC1(CCc2ccccc2C1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O
BDBM50114741 CC(=O)N[C@@H](Cc1ccncc1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O
BDBM50114742 CC(=O)N[C@@H](Cc1csc2ccccc12)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O
BDBM50114743 C[C@H](NC(C)=O)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O
BDBM50114744 CC(=O)N[C@H](Cc1ccc2ccccc2c1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O
BDBM50114745 CC(=O)Nc1cc2ccccc2cc1C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O
BDBM50114746 CC(=O)N[C@@H](Cc1cccnc1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O
BDBM50114747 CC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O
BDBM50115290 CC(C)C(NC(=O)C1CCCN1C(=O)C(CCCNC(N)=N)NC(=O)C1NC(=O)C(Cc2c[nH]c3ccccc23)NC(=O)C(CCCNC(N)=N)NC(=O)[C@H](Cc2ccccc2)NC(=O)C(Cc2cnc[nH]2)NC(=O)C(CCC(O)=O)NC(=O)C2S[Re-]3([O-])(SC(NC(=O)CN4CCN(CC(O)=O)CCN(CC(O)=O)CCN(CC(O)=O)CC4)C(=O)N23)S1)C(N)=O
BDBM50115291 CC(C)C(NC(=O)C1CCCN1C(=O)C(CCCCN)NC(=O)C1NC(=O)C(Cc2c[nH]c3ccccc23)NC(=O)C(CCCNC(N)=N)NC(=O)[C@H](Cc2ccccc2)NC(=O)C(Cc2cnc[nH]2)NC(=O)C(CCC(O)=O)NC(=O)C2S[Re-]3([O-])(SC(NC(=O)CN4CCN(CC(O)=O)CCN(CC(O)=O)CCN(CC(O)=O)CC4)C(=O)N23)S1)C(N)=O
BDBM50115292 CC(C)C(NC(=O)C1CCCN1C(=O)C(CCCNC(N)=N)NC(=O)C1NC(=O)C(Cc2c[nH]c3ccccc23)NC(=O)C(CCCNC(N)=N)NC(=O)[C@H](Cc2ccccc2)NC(=O)C(Cc2cnc[nH]2)NC(=O)C(CCC(O)=O)NC(=O)C2S[Re-]3([O-])(SC(NC(=O)CN4CCN(CC(O)=O)CCN(CC(O)=O)CCN(CC(O)=O)CC4)C(=O)N23)S1)C(=O)NC(CC(O)=O)C(O)=O
BDBM50115293 CC(C)C(NC(=O)C1CCCN1C(=O)C(CCCNC(N)=N)NC(=O)C1NC(=O)C(Cc2c[nH]c3ccccc23)NC(=O)C(CCCNC(N)=N)NC(=O)[C@H](Cc2ccccc2)NC(=O)C(Cc2cnc[nH]2)NC(=O)C(CCC(O)=O)NC(=O)C2S[Re-]3([O-])(SC(NC(=O)CN4CCN(CC(O)=O)CCN(CC(O)=O)CCN(CC(O)=O)CC4)C(=O)N23)S1)C(O)=O
BDBM50115294 CC(C)C(NC(=O)C1CCCN1C(=O)C(CCCCNC(=O)OCc1ccccc1)NC(=O)C1NC(=O)C(Cc2c[nH]c3ccccc23)NC(=O)C(CCCNC(N)=N)NC(=O)[C@H](Cc2ccccc2)NC(=O)C(Cc2cnc[nH]2)NC(=O)C(CCC(O)=O)NC(=O)C2S[Re-]3([O-])(SC(NC(=O)C(CCCCNC(=O)CN4CCN(CC(O)=O)CCN(CC(O)=O)CCN(CC(O)=O)CC4)NC(C)=O)C(=O)N23)S1)C(N)=O
BDBM50115360 CC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)NC1(CCc2ccccc2C1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O
BDBM50115361 C[C@H](NC(=O)[C@H](Cc1cnc[nH]1)NC(C)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O
BDBM50115362 CC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](Cc1ccc2ccccc2c1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O
BDBM50115363 CC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O
BDBM50115364 CC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O
BDBM50115365 CC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O)c1ccccc1
BDBM50115366 CC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O |r,wU:4.3,14.14,26.27,wD:37.38,(19.22,-37.32,;19.23,-38.86,;17.89,-39.63,;20.56,-39.63,;21.89,-38.86,;21.89,-37.32,;23.23,-36.54,;24.64,-37.17,;25.67,-36.02,;24.9,-34.69,;23.39,-35.01,;23.23,-39.63,;23.23,-41.17,;24.56,-38.86,;25.89,-39.63,;25.89,-41.17,;27.23,-41.94,;28.56,-41.16,;29.9,-41.93,;29.9,-43.48,;31.22,-44.24,;28.56,-44.25,;27.23,-43.47,;27.23,-38.86,;27.23,-37.32,;28.56,-39.63,;29.9,-38.86,;29.9,-37.32,;31.23,-36.54,;31.23,-35,;32.56,-34.23,;32.56,-32.69,;31.23,-31.92,;33.9,-31.92,;31.23,-39.63,;31.23,-41.17,;32.56,-38.86,;33.9,-39.63,;33.9,-41.17,;35.19,-42.01,;36.62,-41.45,;37.59,-42.66,;36.76,-43.94,;37.16,-45.43,;36.07,-46.52,;34.59,-46.12,;34.19,-44.63,;35.27,-43.54,;35.23,-38.86,;36.57,-39.63,;35.23,-37.32,)|
BDBM50115367 CC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1Cc2ccccc2CC1C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O
BDBM50115369 CC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccncc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O
BDBM50115370 CC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc2ccccc2c1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O
BDBM50115372 CC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](CCc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O
BDBM50115373 CC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](Cc1ccc(I)cc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O |r,wU:4.3,14.14,26.27,wD:37.38,(23.38,-8.66,;23.38,-10.2,;22.06,-10.96,;24.72,-10.97,;26.05,-10.21,;26.05,-8.66,;27.39,-7.89,;28.79,-8.52,;29.83,-7.38,;29.06,-6.04,;27.55,-6.36,;27.39,-10.97,;27.39,-12.51,;28.72,-10.21,;30.06,-10.97,;30.06,-12.51,;31.39,-13.29,;32.73,-12.51,;34.05,-13.29,;34.05,-14.83,;35.38,-15.6,;32.72,-15.59,;31.39,-14.82,;31.39,-10.21,;31.39,-8.66,;32.72,-10.97,;34.05,-10.2,;34.05,-8.67,;35.38,-7.89,;35.38,-6.36,;36.72,-5.59,;36.72,-4.06,;35.39,-3.28,;38.06,-3.28,;35.38,-10.97,;35.38,-12.52,;36.72,-10.21,;38.06,-10.98,;38.06,-12.52,;39.39,-13.3,;40.8,-12.67,;41.82,-13.82,;41.06,-15.15,;41.52,-16.62,;40.5,-17.76,;38.99,-17.44,;38.51,-15.97,;39.55,-14.83,;39.39,-10.22,;40.73,-10.98,;39.39,-8.68,)|
BDBM50115374 CC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1cccc2ccccc12)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O
BDBM50115375 CC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(cc1)-c1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O
BDBM50115376 CC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](Cc1cccc2ccccc12)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O
BDBM50115377 CC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](C(c1ccccc1)c1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O
BDBM50115378 CC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O)c1ccccc1
BDBM50115379 CC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1cccnc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O
BDBM50115380 CC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](C(c1ccccc1)c1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O
BDBM50115381 CC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](Cc1ccc(cc1)-c1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O
BDBM50115382 CC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O
BDBM50115383 CC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O
BDBM50115384 CC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CCc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O
BDBM50114748 CC(=O)N[C@@H](Cc1cccs1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O
BDBM50114749 CC(=O)N[C@H](Cc1ccccc1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O
BDBM50114750 CC(=O)N1CCC[C@H]1C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O
BDBM50122068 CC(NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(C)=O)C(N)=O
BDBM50122069 CC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
BDBM50122070 CC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(cc1)-c1ccccc1)C(N)=O
BDBM50122071 CC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@H](Cc1cnc[nH]1)C(N)=O
BDBM50122072 CC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@H](C(c1ccccc1)c1ccccc1)C(N)=O
BDBM50122073 CC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@H](Cc1cccc2ccccc12)C(N)=O
BDBM50122074 CC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@H](Cc1csc2ccccc12)C(N)=O
BDBM50122075 CC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@H](Cc1ccncc1)C(N)=O
BDBM50122076 CC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc2ccccc2c1)C(N)=O
BDBM50122058 CC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](C(c1ccccc1)c1ccccc1)C(N)=O
BDBM50122059 CC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)NC(Cc1c[nH]c2ccccc12)C(N)=O
BDBM50122061 CC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@H](Cc1ccccc1)C(N)=O
BDBM50122062 CC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)NC1(CCc2ccccc2C1)C(N)=O
BDBM50122063 CC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@H](Cc1ccc(cc1)-c1ccccc1)C(N)=O
BDBM50122065 CC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@H](Cc1cccs1)C(N)=O
BDBM50122066 CC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@H](Cc1ccc2ccccc2c1)C(N)=O
BDBM50122067 CC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1cccc2ccccc12)C(N)=O
BDBM50121900 CCCC[C@H](NC(=O)C(CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(C)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@@H]1C(=O)N[C@H](C(C)C)C(N)=O
BDBM50130011 CC(=O)N[C@@H](Cc1ccccc1)C(=O)N(CCCCN)C1CCC(CC1)N(CCc1c[nH]c2ccccc12)C(C)=O |wU:4.3,(14.76,-.51,;13.43,-1.29,;13.44,-2.84,;12.09,-.54,;10.76,-1.32,;10.76,-2.86,;11.54,-4.19,;10.76,-5.52,;11.51,-6.84,;13.03,-6.85,;13.8,-5.53,;13.05,-4.19,;9.41,-.57,;9.4,.97,;8.09,-1.36,;6.74,-.59,;6.72,.95,;5.39,1.71,;5.36,3.25,;4.02,4.01,;8.1,-2.91,;7.33,-4.26,;5.61,-3.63,;4.43,-4.05,;5.19,-2.7,;6.83,-3.33,;3.09,-3.28,;1.76,-4.05,;1.75,-5.6,;.41,-6.37,;-1,-5.73,;-2.03,-6.87,;-1.26,-8.21,;-1.75,-9.66,;-.72,-10.81,;.78,-10.5,;1.26,-9.03,;.24,-7.9,;3.09,-1.74,;1.76,-.97,;4.43,-.97,)|
BDBM50130012 CC(=O)N(CCCCNC(N)=N)C1CCC(CC1)N(CCc1c[nH]c2ccccc12)C(C)=O |(14.36,-.97,;13.01,-.22,;13,1.32,;11.7,-1,;10.35,-.24,;10.33,1.3,;9,2.05,;8.97,3.6,;7.63,4.36,;6.31,3.57,;4.96,4.33,;6.33,2.03,;11.7,-2.55,;10.93,-3.9,;9.22,-3.28,;8.04,-3.7,;8.8,-2.34,;10.44,-2.97,;6.71,-2.93,;5.38,-3.7,;5.37,-5.24,;4.02,-6.01,;2.62,-5.37,;1.59,-6.51,;2.36,-7.85,;1.88,-9.3,;2.89,-10.44,;4.4,-10.13,;4.88,-8.67,;3.86,-7.54,;6.71,-1.39,;5.38,-.61,;8.04,-.61,)|
BDBM50130013 CN(C1CCC(CC1)N(CCCCNC(N)=N)C(=O)[C@H](Cc1ccccc1)NC(C)=O)C(C)=O |wU:19.28,(-1.99,-5.9,;-.65,-5.13,;.68,-5.9,;1.43,-4.54,;3.07,-5.18,;4.33,-4.75,;3.59,-6.1,;1.86,-5.48,;4.33,-3.2,;2.99,-2.44,;2.98,-.9,;1.64,-.14,;1.62,1.4,;.27,2.17,;-1.05,1.38,;-2.4,2.14,;-1.04,-.16,;5.67,-2.42,;5.64,-.87,;7,-3.16,;7.02,-4.71,;7.79,-6.04,;9.31,-6.04,;10.06,-7.37,;9.29,-8.7,;7.76,-8.68,;7,-7.37,;8.33,-2.38,;9.68,-3.14,;11.01,-2.36,;9.69,-4.68,;-.65,-3.59,;-1.99,-2.81,;.68,-2.81,)|
BDBM50130014 CC(=O)N[C@H](Cc1ccccc1)C(=O)N(CCCCNC(N)=N)C1CCC(CC1)N(CCc1c[nH]c2ccccc12)C(C)=O |wD:4.3,(14.52,1.42,;13.19,.63,;13.2,-.91,;11.84,1.39,;10.51,.61,;10.53,-.94,;11.29,-2.27,;12.81,-2.27,;13.57,-3.59,;12.8,-4.92,;11.27,-4.91,;10.51,-3.59,;9.17,1.37,;9.15,2.91,;7.84,.58,;6.5,1.35,;6.48,2.89,;5.14,3.64,;5.13,5.18,;3.77,5.94,;2.46,5.16,;1.11,5.93,;2.46,3.62,;7.86,-.97,;7.09,-2.32,;5.36,-1.71,;4.19,-2.13,;4.94,-.77,;6.58,-1.39,;2.85,-1.36,;1.52,-2.13,;1.5,-3.67,;.17,-4.43,;-1.24,-3.8,;-2.28,-4.94,;-1.51,-6.27,;-1.99,-7.72,;-.97,-8.88,;.55,-8.57,;1.01,-7.11,;,-5.97,;2.85,.19,;1.52,.96,;4.19,.96,)|
BDBM50129178 NCCCCNC(=O)[C@H](CCc1ccccc1)NC(=O)NCc1ccccc1
BDBM50129180 NCCCCNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)NN1CCc2ccccc2C1
BDBM50129181 NCCCCNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)NC1CCN(Cc2ccccc2)CC1
BDBM50129182 CC1CCN(CNC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)NCc2ccccc2)CC1
BDBM50129183 Cc1cccc(CNC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)NCc2ccccc2)c1
BDBM50129184 NCCCNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)NCc1ccccc1
BDBM50129185 NCCCCNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)NN1CCC(Cc2ccccc2)CC1
BDBM50129186 NCCCCCNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)NCc1ccccc1
BDBM50129187 NCCCCCCNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)NCc1ccccc1
BDBM50129188 NCCCCNC(=O)[C@H](Cc1ccc(OCc2ccccc2)cc1)NC(=O)NCc1ccccc1
BDBM50129189 NCCCCNC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)NCc1ccccc1
BDBM50129191 NCCCCNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)NCc1ccccc1
BDBM50129192 NCCCCNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)NCCc1ccccc1
BDBM50136742 CC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N(CCCNC(N)=N)CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O
BDBM50136743 CC(=O)N(CC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O)Cc1ccccc1
BDBM50136745 CC(=O)N(CC(=O)N(CC(=O)N(CCCCNC(N)=N)CC(=O)N(CC(N)=O)Cc1cccc2ccccc12)Cc1ccccc1)Cc1ccccc1
BDBM50136746 CC(=O)N(CCc1cnc[nH]1)CC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O
BDBM50136747 CC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N(CC(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O)Cc1ccccc1
BDBM50136748 CC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N(CCc1c[nH]c2ccccc12)CC(N)=O
BDBM50136749 CC(=O)N(CCc1cnc[nH]1)CC(=O)N(CC(=O)N(CCCCN)CC(=O)N(CCc1c[nH]c2ccccc12)CC(N)=O)Cc1ccccc1
BDBM50136750 CC(=O)N(CCc1cnc[nH]1)CC(=O)N(CC(=O)N(CCCNC(N)=N)CC(=O)N(CCc1c[nH]c2ccccc12)CC(N)=O)Cc1ccccc1
BDBM50134495 CS(=O)(=O)N1CC2(CCN(CC2)C(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)[C@H]2Cc3ccccc3CN2)c2ccccc12
BDBM50138295 CS(=O)(=O)N(CC1CC1)c1ccccc1N1CCN(CC1)C(=O)[C@H](CC(=O)N1CCNCC1)Cc1ccc(Cl)cc1
BDBM50138296 CCN(C(C)c1ccccc1N1CCN(CC1)C(=O)[C@H](CC(=O)NC1CCC1)Cc1ccc(Cl)cc1)C(C)=O
BDBM50138299 CC(=O)N1CCN(CC1)C(=O)C[C@H](Cc1ccc(Cl)cc1)C(=O)N1CCN(CC1)c1ccccc1N(CC1CC1)S(C)(=O)=O
BDBM50138300 CCN(C(C)c1ccccc1N1CCN(CC1)C(=O)[C@H](CC(=O)N1CCC1)Cc1ccc(Cl)cc1)C(C)=O
BDBM50138304 CCN(C(C)c1ccccc1N1CCN(CC1)C(=O)[C@H](CC(=O)NCc1ccccc1F)Cc1ccc(Cl)cc1)C(C)=O
BDBM50138288 CCOC(=O)N1CCN(CC1)C(=O)C[C@H](Cc1ccc(Cl)cc1)C(=O)N1CCN(CC1)c1ccccc1N(CC1CC1)S(C)(=O)=O
BDBM50138292 CCCN1CCN(CC1)C(=O)C[C@H](Cc1ccc(Cl)cc1)C(=O)N1CCN(CC1)c1ccccc1N(CC1CC1)S(C)(=O)=O
BDBM50138293 CC(C)(C)CC(=O)N1CCN(CC1)C(=O)C[C@H](Cc1ccc(Cl)cc1)C(=O)N1CCN(CC1)c1ccccc1N(CC1CC1)S(C)(=O)=O
BDBM50138294 CC(C)(C)OC(=O)N1CCN(CC1)C(=O)C[C@H](Cc1ccc(Cl)cc1)C(=O)N1CCN(CC1)c1ccccc1N(CC1CC1)S(C)(=O)=O
BDBM50141027 C[C@H](O)[C@@H](NC(=O)[C@H]1CSSC[C@H](NC(=O)[C@H](N)Cc2ccccc2)C(=O)N[C@@H](Cc2cnc[nH]2)C(=O)N[C@@H](Cc2ccc(Cl)cc2)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)N1)C(N)=O
BDBM50141028 C[C@@H](O)[C@H](NC(=O)[C@H]1CCSSC[C@H](NC(=O)[C@@H](N)Cc2ccccc2)C(=O)N[C@@H](Cc2cnc[nH]2)C(=O)N[C@H](Cc2ccccc2)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)N1)C(N)=O
BDBM50141018 C[C@@H](O)[C@H](NC(=O)[C@H]1CCCCNC(=O)C[C@H](NC(=O)[C@@H](N)Cc2ccccc2)C(=O)N[C@@H](Cc2cnc[nH]2)C(=O)N[C@H](Cc2ccccc2)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)N1)C(N)=O
BDBM50141023 C[C@@H](O)[C@H](NC(=O)[C@H]1CSSC[C@H](NC(=O)[C@H](N)Cc2ccccc2)C(=O)N[C@H](Cc2cnc[nH]2)C(=O)N[C@H](Cc2ccccc2)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)N1)C(N)=O
BDBM50141019 C[C@@H](O)[C@H](NC(=O)[C@@H]1NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H](Cc2cnc[nH]2)NC(=O)[C@H](CSSC1(C)C)NC(=O)[C@H](N)Cc1ccccc1)C(N)=O
BDBM50141029 C[C@@H](O)[C@H](NC(=O)[C@H]1CSSC[C@H](NC(=O)[C@@H](N)Cc2ccccc2)C(=O)N[C@@H](Cc2cnc(C)[nH]2)C(=O)N[C@H](Cc2ccccc2)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)N1)C(N)=O
BDBM50141030 C[C@@H](O)[C@H](NC(=O)[C@H]1CSSC[C@H](NC(=O)[C@H](N)Cc2ccccc2)C(=O)N[C@@H](Cc2cnc[nH]2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N(CCCN)CC(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)N1)C(N)=O
BDBM50141026 C[C@@H](O)[C@H](NC(=O)[C@H]1CSSC[C@H](NC(=O)[C@H](N)Cc2ccccc2)C(=O)N[C@@H](Cc2cnc[nH]2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)N1)C(N)=O
BDBM50141034 C[C@@H](O)[C@H](NC(=O)[C@H]1CSSC[C@H](NC(=O)[C@H](N)Cc2ccccc2)C(=O)N[C@@H](Cc2ncc[nH]2)C(=O)N[C@H](Cc2cccc3ccccc23)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)N1)C(N)=O
BDBM50141035 C[C@@H](O)[C@H](NC(=O)[C@H]1CSSC[C@H](NC(=O)[C@@H](N)Cc2ccccc2)C(=O)N[C@@H](Cc2cnc[nH]2)C(=O)N[C@H](Cc2ccccc2)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)N1)C(N)=O
BDBM50144874 C[C@H]1NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H](CC(=O)NC(NC(=O)C(=O)[C@H](Cc2ccccc2)NC1=O)C(=O)NN[C@H](Cc1ccc(O)cc1)C(=O)C(O)=O)NC(=O)[C@H](Cc1ccc(O)cc1)NN
BDBM50144875 C[C@@H]1NC(=O)[C@@H](CC(N)=O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](Cc2cnc[nH]2)NC(=O)[C@@H](CC(=O)NC(NC(=O)[C@@H](Cc2ccccc2)NC1=O)C(=O)NN[C@@H](Cc1ccc(O)cc1)C(=O)C(O)=O)NN[C@H]1Cc2ccc(O)cc2NC1=O
BDBM50144878 C[C@@H]1NC(=O)[C@@H](CC(N)=O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(=O)NC(NC(=O)C(=O)[C@@H](Cc2ccccc2)NC1=O)C(=O)NN[C@H](Cc1ccc(O)cc1)C(=O)C(N)=O)NC(=O)[C@@H](N)Cc1ccc(O)cc1
BDBM50144879 C[C@H]1NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](CC(=O)NC(NC(=O)C(=O)[C@H](Cc2ccccc2)NC1=O)C(=O)NN[C@H](Cc1ccc(O)cc1)C(=O)C(O)=O)NC(=O)[C@@H](Cc1ccc(O)cc1)NN
BDBM50144880 C[C@@H]1NC(=O)[C@@H](CC(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](Cc2cnc[nH]2)NC(=O)[C@@H](CC(=O)NC(NC(=O)[C@@H](Cc2ccccc2)NC1=O)C(=O)NN[C@@H](Cc1ccc(O)cc1)C(=O)C(O)=O)NN[C@H]1Cc2ccc(O)cc2NC1=O
BDBM50144881 C[C@@H]1NC(=O)[C@@H](CC(N)=O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CC(=O)NC(NC(=O)C(=O)[C@@H](Cc2ccccc2)NC1=O)C(=O)NN[C@H](Cc1ccc(O)cc1)C(=O)C(O)=O)NC(=O)[C@H](Cc1ccc(O)cc1)NN
BDBM50144883 C[C@@H]1NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@@H](CSSSSC[C@@H](NC(=O)[C@@H](Cc2ccccc2)NC1=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)C(N)=O)NC(=O)[C@H](Cc1ccc(O)cc1)NN
BDBM50144869 C[C@@H]1NC(=O)[C@@H](CC(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H](Cc2cnc[nH]2)NC(=O)[C@@H](CC(=O)NC(NC(=O)[C@@H](Cc2ccccc2)NC1=O)C(=O)NN[C@@H](Cc1ccc(O)cc1)C(=O)C(O)=O)NN[C@H]1Cc2ccc(O)cc2NC1=O
BDBM50144870 C[C@@H]1NC(=O)[C@@H](CC(N)=O)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CC(=O)NC(NC(=O)C(=O)[C@@H](Cc2ccccc2)NC1=O)C(=O)NN[C@H](Cc1ccc(O)cc1)C(=O)C(O)=O)NC(=O)[C@H](Cc1ccc(O)cc1)NN
BDBM50144872 CNC(=O)C[C@H]1NC(=O)[C@H](C)NC(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(=O)NCC(NC(=O)C(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](C)NC1=O)C(=O)NC(Cc1ccc(O)cc1)C(N)=O)NC(=O)[C@H](Cc1ccc(O)cc1)NN
BDBM50144873 CC(C)C[C@H](NC(C)=O)C(=O)N[C@H]1CC(=O)ONCCCC[C@@H](NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2cnc[nH]2)NC1=O)C(N)=O
BDBM50155865 [H][C@@]12[#6]-[#6]-[#6]-[#7]1-[#6](=O)-[#6@@H](-[#6]-[#6](-[#8])=O)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6])-[#7]-[#6](=O)-[#6@H](-[#7])-[#6]-[#16]-[#16]-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccc(-[#8])cc1)-[#7]-[#6](=O)[C@@]1([H])[#6]-[#16]-[#16]-[#6][C@]([H])([#7]-[#6](=O)-[#6@@H](-[#6]-c3ccc(-[#8])cc3)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6])-[#7]-[#6](=O)[C@@]([H])([#7]-[#6](=O)-[#6@@H](-[#6])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6])-[#7]-[#6]2=O)[#6@@H](-[#6])-[#8])[#6](=O)-[#7]-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-c2ccccc2)-[#6](=O)-[#7]-[#6@H](-[#6]-c2ccccc2)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#7])=O)-[#6](=O)-[#7]-[#6@H](-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-c2ccccc2)-[#6](=O)-[#7]1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#6])-[#6])-[#6](-[#8])=O
BDBM50158406 CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCC[C@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)C1CC(O)=O)C(N)=O |r,wU:39.41,50.52,21.80,12.11,wD:25.25,61.64,4.4,(29.19,-27.12,;27.85,-27.89,;26.52,-27.12,;25.19,-27.89,;23.86,-27.12,;22.52,-27.89,;22.52,-29.43,;21.19,-30.2,;23.86,-30.2,;23.86,-25.58,;25.18,-24.81,;22.48,-24.88,;22.48,-23.34,;21.24,-22.58,;19.81,-23.34,;19.81,-24.88,;18.47,-22.58,;18.62,-21.05,;17.36,-20.38,;17.37,-18.88,;18.67,-18.13,;18.73,-16.56,;20.05,-15.76,;21.28,-16.68,;21.28,-18.22,;22.59,-15.93,;22.59,-14.39,;21.26,-13.62,;19.85,-14.24,;18.82,-13.1,;19.59,-11.76,;19.11,-10.3,;20.14,-9.15,;21.65,-9.47,;22.13,-10.93,;21.1,-12.08,;23.88,-16.78,;25.15,-15.91,;25.15,-14.37,;26.41,-16.64,;26.41,-15.1,;27.75,-14.33,;27.75,-12.79,;29.08,-12.02,;29.08,-10.48,;27.75,-9.71,;30.41,-9.71,;27.75,-15.87,;29.06,-16.67,;30.39,-15.9,;29,-18.19,;30.33,-18.96,;31.65,-18.19,;33.01,-18.98,;34.33,-18.22,;34.33,-16.7,;33,-15.93,;31.67,-16.7,;28.58,-18.63,;27.75,-21.04,;29.24,-21.45,;26.85,-22.56,;27.89,-23.7,;29.39,-23.37,;30.01,-21.96,;31.55,-22.11,;31.9,-23.61,;30.56,-24.37,;25.33,-22.28,;24.81,-20.84,;25.8,-19.66,;23.29,-20.57,;21.89,-20.56,;20.54,-20.19,;20.18,-18.84,;19.54,-21.18,;17.44,-15.73,;16.11,-16.61,;17.44,-14.19,)|
BDBM50166133 CCCCCCCCCCCCC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O
BDBM50166134 CCCCCCCCCCCCCCC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O
BDBM50166122 CCCCCCCCCCCCCCCCCCN[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O
BDBM50166123 CCCCC(NC(C)=O)C(=O)N1[C@@H](CC(O)=O)C(=O)N[C@H](Cc2cnc[nH]2)C(=O)N[C@H](Cc2ccccc2)C(=O)N[C@H](CCCNC(N)=N)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@H](CCCCN)C1=O
BDBM50166124 N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O
BDBM50166125 CCCCCCCC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O
BDBM50166126 CCCCCCCCCCCCCCCC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O
BDBM50166127 CCCCCCCCCCC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O
BDBM50166128 CCCCCCCCCCCCN[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O
BDBM50166129 CCCCCCCCCC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O
BDBM50166130 CCCCCCCCC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O
BDBM50166131 CCCCCCCCCCCCCCCCC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O
BDBM50166132 CCCCCCCCCCCCCC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O
BDBM50184359 CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCC[C@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2cnc[nH]2)NC1=O)C(N)=O |r,wU:21.75,50.52,12.11,4.4,39.41,wD:25.25,61.64,(19.68,-11.7,;18.32,-10.97,;18.27,-9.43,;16.91,-8.71,;16.86,-7.17,;18.17,-6.36,;18.11,-4.82,;19.42,-4,;16.76,-4.09,;15.5,-6.44,;15.45,-4.9,;14.19,-7.26,;12.83,-6.53,;11.53,-7.35,;11.58,-8.88,;12.94,-9.61,;10.27,-9.7,;8.91,-8.97,;7.6,-9.79,;6.25,-9.06,;4.94,-9.87,;3.58,-9.15,;3.53,-7.61,;2.17,-6.88,;.86,-7.7,;2.12,-5.35,;.76,-4.62,;.71,-3.08,;1.93,-2.14,;1.41,-.69,;-.14,-.74,;-1.21,.35,;-2.69,-.02,;-3.1,-1.51,;-2.03,-2.6,;-.56,-2.22,;3.43,-4.53,;4.79,-5.26,;4.84,-6.8,;6.98,-5.22,;8.76,-4.36,;10.12,-5.08,;10.17,-6.62,;8.86,-7.43,;7.5,-6.71,;6.19,-7.52,;8.83,-5.93,;6.09,-4.44,;6.04,-2.9,;4.68,-2.18,;7.35,-2.09,;7.3,-.55,;5.94,.17,;5.89,1.71,;4.53,2.44,;3.23,1.62,;3.28,.07,;4.64,-.64,;8.71,-2.82,;10.02,-2,;9.96,-.46,;11.37,-2.73,;12.68,-1.91,;12.64,-.37,;13.86,.56,;13.35,2.01,;11.81,1.97,;11.37,.5,;11.42,-4.27,;12.78,-4.99,;14.09,-4.18,;2.27,-9.96,;.91,-9.24,;2.32,-11.5,)|
BDBM50217713 NC1CCC(CC2CCC(CC2)N(Cc2ccccc2Cl)C(=O)CCCc2c[nH]c3ccccc23)CC1 |(36.17,-32.76,;34.84,-33.54,;34.85,-35.08,;33.53,-35.86,;32.19,-35.09,;30.87,-35.88,;30.88,-37.42,;32.24,-38.18,;32.26,-39.73,;30.92,-40.52,;29.56,-39.77,;29.55,-38.21,;30.94,-42.08,;29.62,-42.87,;28.27,-42.12,;28.25,-40.58,;26.91,-39.83,;25.59,-40.62,;25.61,-42.17,;26.96,-42.91,;26.98,-44.45,;32.3,-42.84,;32.32,-44.39,;33.63,-42.04,;34.96,-42.77,;36.3,-42,;37.62,-42.77,;39.04,-42.1,;40.09,-43.22,;39.34,-44.57,;39.83,-46.01,;38.83,-47.17,;37.31,-46.87,;36.82,-45.42,;37.83,-44.26,;32.17,-33.56,;33.5,-32.78,)|
BDBM50217714 NC1CCC(CC2CCC(CC2)N(C2CCc3ccccc3C2)C(=O)CCCc2c[nH]c3ccccc23)CC1 |w:13.13,(14.28,-13.3,;12.96,-14.07,;12.97,-15.6,;11.65,-16.37,;10.32,-15.61,;9.01,-16.39,;9.02,-17.92,;10.37,-18.68,;10.39,-20.22,;9.06,-21.01,;7.7,-20.26,;7.7,-18.71,;9.08,-22.55,;7.65,-23.38,;7.67,-25.03,;6.23,-25.85,;4.8,-25.02,;3.37,-25.84,;1.95,-25.02,;1.95,-23.37,;3.38,-22.55,;4.8,-23.37,;6.23,-22.55,;10.43,-23.31,;10.45,-24.85,;11.75,-22.51,;13.08,-23.24,;14.4,-22.48,;15.72,-23.23,;17.12,-22.57,;18.18,-23.68,;17.42,-25.02,;17.91,-26.46,;16.92,-27.61,;15.41,-27.31,;14.92,-25.87,;15.93,-24.72,;10.31,-14.09,;11.62,-13.32,)|
BDBM50217715 NCCN(C1CCc2ccccc2C1)C(=O)Cc1ccc2ccccc2c1 |w:4.3|
BDBM50217738 NC1CCC(CC2CCC(CC2)N(Cc2c(Cl)cccc2Cl)C(=O)CCCc2c(Cc3ccc(O)cc3)[nH]c3ccccc23)CC1 |(16.09,-32.96,;14.76,-33.74,;14.77,-35.28,;13.45,-36.06,;12.1,-35.29,;10.78,-36.08,;10.8,-37.62,;12.15,-38.38,;12.17,-39.93,;10.83,-40.72,;9.47,-39.97,;9.46,-38.41,;10.86,-42.28,;9.5,-43.24,;9.52,-46,;10.86,-46.76,;12.19,-45.96,;10.9,-48.29,;9.58,-49.08,;8.23,-48.33,;8.2,-46.79,;6.86,-46.04,;12.21,-43.04,;12.24,-44.59,;13.54,-42.24,;14.88,-42.98,;16.22,-42.21,;17.54,-42.97,;18.95,-42.3,;19.71,-40.96,;21.25,-40.94,;22.03,-42.27,;23.57,-42.26,;24.33,-40.92,;25.87,-40.91,;23.54,-39.59,;22,-39.61,;20,-43.42,;19.25,-44.77,;19.75,-46.21,;18.74,-47.37,;17.23,-47.07,;16.74,-45.62,;17.75,-44.47,;12.09,-33.76,;13.42,-32.98,)|
BDBM50217739 NCCCN(Cc1ccc2ccccc2c1)C(=O)CCCc1c[nH]c2ccccc12
BDBM50217740 NCCCN(C\C=C\c1ccccc1)C(=O)C(=O)c1c[nH]c2ccccc12
BDBM50217658 NCCN(C1CCC2(CCCCC2)CC1)C(=O)[C@H](N)Cc1ccc(Cl)cc1
BDBM50217716 NCCN(Cc1ccc2ccccc2c1)C(=O)c1c[nH]c2ccccc12
BDBM50217741 NC1CCC(CC2CCC(CC2)N(Cc2ccccc2Br)C(=O)CCCc2c[nH]c3ccccc23)CC1 |(.31,-29.98,;-1.02,-30.76,;-1,-32.3,;-2.33,-33.08,;-3.67,-32.32,;-4.99,-33.1,;-4.98,-34.64,;-3.62,-35.4,;-3.6,-36.96,;-4.94,-37.75,;-6.3,-37,;-6.31,-35.43,;-4.92,-39.3,;-6.24,-40.09,;-7.58,-39.34,;-7.6,-37.8,;-8.95,-37.04,;-10.27,-37.84,;-10.24,-39.38,;-8.9,-40.13,;-8.88,-41.66,;-3.56,-40.06,;-3.54,-41.62,;-2.23,-39.26,;-.9,-40,;.44,-39.23,;1.79,-39.96,;3.19,-39.31,;4.23,-40.45,;3.48,-41.79,;3.97,-43.23,;2.97,-44.39,;1.45,-44.09,;.96,-42.64,;1.97,-41.49,;-3.68,-30.79,;-2.36,-30.01,)|
BDBM50217742 Cc1ccccc1CN(C1CCC(CC2CCC(N)CC2)CC1)C(=O)CCCc1c(Cc2ccc(O)cc2)[nH]c2ccccc12 |(-9.17,-24.42,;-9.19,-22.88,;-10.53,-22.13,;-10.56,-20.59,;-9.23,-19.8,;-7.89,-20.55,;-7.87,-22.1,;-6.52,-22.85,;-5.2,-22.05,;-5.23,-20.5,;-3.89,-19.71,;-3.91,-18.16,;-5.26,-17.39,;-5.28,-15.85,;-3.96,-15.07,;-2.62,-15.84,;-1.29,-15.06,;-1.3,-13.51,;.02,-12.73,;-2.65,-12.76,;-3.97,-13.54,;-6.6,-18.19,;-6.59,-19.75,;-3.85,-22.81,;-3.82,-24.37,;-2.52,-22.02,;-1.18,-22.75,;.15,-21.98,;1.5,-22.71,;2.9,-22.07,;3.61,-20.71,;5.16,-20.72,;5.91,-22.05,;7.46,-22.06,;8.23,-20.73,;9.77,-20.73,;7.46,-19.39,;5.92,-19.39,;3.95,-23.2,;3.19,-24.54,;3.68,-25.99,;2.68,-27.15,;1.16,-26.85,;.67,-25.4,;1.68,-24.24,)|
BDBM50217743 NCCCCCN(Cc1ccccc1)C(=O)[C@H](N)Cc1ccc2ccccc2c1
BDBM50217744 NC1CCC(CC2CCC(CC2)N(Cc2ccccc2F)C(=O)CCCc2c(Cc3ccc(O)cc3)[nH]c3ccccc23)CC1 |(17.94,-27.12,;16.6,-27.88,;16.58,-29.43,;15.25,-30.18,;13.92,-29.4,;12.58,-30.16,;12.58,-31.7,;13.92,-32.49,;13.92,-34.03,;12.57,-34.81,;11.22,-34.04,;11.23,-32.48,;12.57,-36.36,;11.24,-37.13,;9.9,-36.36,;9.91,-34.82,;8.58,-34.05,;7.24,-34.82,;7.25,-36.37,;8.58,-37.13,;8.58,-38.67,;13.91,-37.14,;13.91,-38.7,;15.25,-36.36,;16.59,-37.13,;17.92,-36.36,;19.26,-37.12,;19.84,-35.7,;19.02,-34.39,;19.75,-33.03,;21.29,-32.99,;22.01,-31.63,;21.19,-30.32,;21.91,-28.96,;19.65,-30.38,;18.93,-31.74,;21.37,-35.8,;21.75,-37.3,;23.09,-38.02,;23.14,-39.55,;21.84,-40.37,;20.48,-39.64,;20.44,-38.11,;13.92,-27.87,;15.27,-27.11,)|
BDBM50217745 NC(N)=NC1CCC(CC2CCC(CC2)N(C\C=C\c2ccccc2)C(=O)CCCc2c[nH]c3ccccc23)CC1 |(19.74,5.3,;21.07,4.52,;22.4,5.28,;21.06,2.98,;19.76,2.15,;19.83,.61,;18.54,-.22,;17.17,.49,;15.88,-.34,;15.95,-1.88,;17.32,-2.58,;17.4,-4.12,;16.11,-4.95,;14.73,-4.26,;14.66,-2.71,;16.19,-6.49,;14.86,-7.43,;13.39,-6.75,;12.06,-7.68,;10.64,-6.88,;10.64,-5.26,;9.23,-4.45,;7.83,-5.28,;7.84,-6.91,;9.26,-7.71,;17.52,-7.23,;17.55,-8.76,;18.84,-6.44,;20.19,-7.19,;21.51,-6.4,;22.85,-7.14,;22.75,-8.68,;24.17,-9.25,;25.16,-8.07,;26.68,-8.01,;27.4,-6.66,;26.58,-5.36,;25.05,-5.42,;24.34,-6.77,;17.09,2.02,;18.39,2.86,)|
BDBM50217746 NCCCN(C1CCc2ccccc2C1)C(=O)\C=C\c1c[nH]c2ccccc12 |w:5.4|
BDBM50217747 NCCN(Cc1ccc2ccccc2c1)C(=O)Cc1c[nH]c2ccccc12
BDBM50217696 COc1cc(Br)c(CN([C@@H]2CC[C@H](C[C@@H]3CC[C@H](N)CC3)CC2)C(=O)CCCc2c[nH]c3ccccc23)cc1OC |wU:14.13,17.17,wD:9.8,12.12,(-.08,-7.23,;-.01,-8.89,;1.47,-9.65,;1.54,-11.32,;3.01,-12.08,;3.08,-13.72,;4.39,-11.18,;5.9,-11.87,;7.26,-10.92,;7.23,-9.37,;5.87,-8.62,;5.86,-7.06,;7.2,-6.27,;7.18,-4.73,;8.5,-3.95,;9.83,-4.72,;11.16,-3.94,;11.14,-2.4,;12.46,-1.63,;9.8,-1.65,;8.49,-2.43,;8.55,-7.03,;8.56,-8.58,;8.6,-11.67,;8.63,-13.22,;9.93,-10.88,;11.27,-11.61,;12.59,-10.84,;13.91,-11.6,;15.32,-10.94,;16.38,-12.05,;15.62,-13.39,;16.11,-14.84,;15.11,-15.99,;13.61,-15.69,;13.12,-14.24,;14.12,-13.09,;4.33,-9.53,;2.86,-8.76,;2.79,-7.1,;1.33,-6.33,)|
BDBM50217697 NCCCCCN(C\C=C/c1ccccc1)C(=O)CCc1c(Cc2ccc(O)cc2)[nH]c2ccccc12
BDBM50217698 NCCCCCCCN(Cc1ccccc1)C(=O)CCCc1c[nH]c2ccccc12
BDBM50217699 NCCCCCN(CCCc1ccccc1)C(=O)CCCc1c[nH]c2ccccc12
BDBM50217700 C\C(CN(CCCCCN)C(=O)CCCc1c[nH]c2ccccc12)=C\c1ccccc1
BDBM50217701 N[C@@H]1CCCC[C@H]1N(C\C=C\c1ccccc1)C(=O)CCCc1c[nH]c2ccccc12
BDBM50217702 NC1CCCC(C1)NC(=O)N[C@H]1CC[C@@H](CC1)N(Cc1ccccc1)C(=O)CCCc1c[nH]c2ccccc12 |wU:11.11,wD:14.18,(4.98,-7.56,;4.96,-9.1,;6.29,-9.88,;6.27,-11.42,;4.93,-12.17,;3.61,-11.39,;3.62,-9.85,;2.27,-12.15,;.94,-11.37,;.95,-9.83,;-.4,-12.13,;-.41,-13.67,;.92,-14.46,;.91,-15.99,;-.42,-16.76,;-1.76,-15.98,;-1.75,-14.44,;-.43,-18.3,;-1.76,-19.06,;-3.08,-18.28,;-3.06,-16.75,;-4.38,-15.98,;-5.72,-16.74,;-5.72,-18.28,;-4.4,-19.04,;.9,-19.07,;.9,-20.61,;2.24,-18.3,;3.57,-19.08,;4.91,-18.31,;6.24,-19.09,;7.5,-18.18,;8.75,-19.1,;8.25,-20.57,;9.02,-21.9,;8.23,-23.23,;6.69,-23.22,;5.94,-21.88,;6.71,-20.56,)|
BDBM50217703 NCCCN1CCN(CCCN(C\C(Cl)=C\c2ccccc2)C(=O)CCCc2c[nH]c3ccccc23)CC1
BDBM50217704 NCc1ccc(CN(C\C=C\c2ccccc2)C(=O)CCCc2c[nH]c3ccccc23)cc1
BDBM50217717 COC(=O)c1ccc(CN(C2CCC(CC3CCC(N)CC3)CC2)C(=O)CCCc2c[nH]c3ccccc23)cc1 |(25.03,-34.28,;26.37,-35.05,;27.7,-34.28,;27.7,-32.74,;29.04,-35.05,;30.37,-34.28,;31.7,-35.05,;31.7,-36.59,;33.03,-37.36,;34.36,-36.59,;34.36,-35.03,;35.71,-34.26,;35.72,-32.71,;34.37,-31.93,;34.38,-30.39,;35.71,-29.62,;37.04,-30.41,;38.38,-29.65,;38.39,-28.11,;39.73,-27.35,;37.06,-27.33,;35.72,-28.09,;33.02,-32.7,;33.01,-34.26,;35.71,-37.37,;35.71,-38.92,;37.05,-36.59,;38.38,-37.36,;39.72,-36.58,;41.05,-37.35,;41.63,-35.93,;43.17,-36.03,;43.54,-37.53,;44.89,-38.25,;44.94,-39.78,;43.63,-40.6,;42.28,-39.87,;42.23,-38.33,;30.37,-37.36,;29.04,-36.59,)|
BDBM50217718 NCCCN(C\C=C\c1ccccc1)C(=O)c1c[nH]c2ccccc12
BDBM50217776 COc1cc(Br)c(\C=C\CN(C2CCC(CC3CCC(N)CC3)CC2)C(=O)CCCc2c[nH]c3ccccc23)cc1OC |(-9.73,-19.07,;-9.7,-20.61,;-8.36,-21.36,;-8.33,-22.91,;-6.99,-23.65,;-6.96,-25.19,;-5.68,-22.86,;-4.33,-23.61,;-3.01,-22.83,;-1.66,-23.58,;-.34,-22.79,;-.37,-21.23,;.97,-20.44,;.95,-18.89,;-.4,-18.13,;-.42,-16.59,;.9,-15.8,;2.24,-16.57,;3.57,-15.79,;3.56,-14.25,;4.88,-13.47,;2.22,-13.49,;.89,-14.27,;-1.74,-18.92,;-1.73,-20.48,;1.01,-23.55,;1.04,-25.1,;2.34,-22.75,;3.68,-23.48,;5.01,-22.71,;6.34,-23.47,;7.75,-22.8,;8.8,-23.93,;8.05,-25.27,;8.54,-26.72,;7.54,-27.88,;6.03,-27.58,;5.54,-26.13,;6.55,-24.97,;-5.69,-21.32,;-7.04,-20.57,;-7.06,-19.03,;-5.73,-18.24,)|
BDBM50217777 NCCN(C1CCc2ccccc2C1)C(=O)Cc1c[nH]c2ccccc12 |w:4.3|
BDBM50217778 NCC1CCC(CN(Cc2ccccc2)C(=O)CCCc2c[nH]c3ccccc23)CC1 |(13.72,-1.64,;13.74,-3.18,;12.41,-3.97,;12.42,-5.51,;11.1,-6.29,;9.76,-5.53,;8.44,-6.32,;8.46,-7.86,;7.1,-8.75,;5.65,-8.01,;5.57,-6.39,;4.12,-5.65,;2.76,-6.54,;2.85,-8.17,;4.3,-8.9,;9.76,-8.66,;9.73,-10.18,;11.11,-7.92,;12.43,-8.72,;13.78,-7.98,;14.76,-8.24,;15.42,-9.64,;16.94,-9.44,;17.23,-7.93,;18.53,-7.14,;18.5,-5.61,;17.15,-4.87,;15.85,-5.66,;15.88,-7.19,;9.73,-4,;11.07,-3.21,)|
BDBM50217719 NCCCCCN(CCCc1ccccc1)C(=O)Cc1c[nH]c2ccccc12
BDBM50217720 NCCCN(C1CCc2ccccc2C1)C(=O)Cc1c[nH]c2ccccc12 |w:5.4|
BDBM50217721 NCCCCCCN(Cc1ccccc1)C(=O)CCCc1c[nH]c2ccccc12
BDBM50217722 COc1ccccc1\C=C\CN(C1CCC(CC2CCC(N)CC2)CC1)C(=O)CCCc1c[nH]c2ccccc12 |(6.92,-42.53,;8.24,-41.74,;8.21,-40.2,;6.86,-39.46,;6.83,-37.91,;8.16,-37.12,;9.5,-37.87,;9.52,-39.41,;10.87,-40.16,;12.19,-39.36,;13.53,-40.11,;14.85,-39.32,;14.83,-37.77,;16.17,-36.98,;16.15,-35.42,;14.8,-34.66,;14.78,-33.12,;16.1,-32.34,;17.44,-33.1,;18.77,-32.32,;18.75,-30.78,;20.08,-30,;17.41,-30.03,;16.09,-30.81,;13.46,-35.45,;13.47,-37.02,;16.21,-40.08,;16.23,-41.64,;17.54,-39.28,;18.88,-40.02,;20.21,-39.25,;21.56,-39.98,;22.96,-39.33,;24.01,-40.47,;23.25,-41.81,;23.74,-43.26,;22.74,-44.41,;21.22,-44.11,;20.73,-42.66,;21.74,-41.51,)|
BDBM50217723 NC(N)=NCCCCN(Cc1ccc2ccccc2c1)C(=O)Cc1c[nH]c2ccccc12 |(6.81,-1.12,;6.81,-2.66,;8.14,-3.42,;5.48,-3.43,;5.48,-4.97,;4.14,-5.73,;4.13,-7.27,;5.46,-8.05,;5.45,-9.59,;4.25,-10.29,;3.03,-9.59,;1.63,-10.4,;.23,-9.59,;.23,-7.96,;-1.17,-7.14,;-1.16,-5.52,;.25,-4.71,;1.65,-5.53,;1.64,-7.15,;3.02,-8.08,;6.67,-10.29,;6.66,-11.69,;7.88,-9.59,;9.09,-10.3,;10.23,-9.51,;11.35,-10.35,;10.89,-11.67,;11.55,-12.89,;10.82,-14.09,;9.43,-14.05,;8.76,-12.82,;9.49,-11.64,)|
BDBM50217724 CCOc1cc(CN(C2CCC(CC3CCC(N)CC3)CC2)C(=O)CCCc2c[nH]c3ccccc23)ccc1OC |(8.74,-14.13,;8.74,-15.67,;10.07,-16.44,;10.07,-17.98,;11.4,-18.75,;11.4,-20.29,;12.73,-21.06,;14.06,-20.29,;14.06,-18.74,;15.41,-17.97,;15.42,-16.42,;14.07,-15.63,;14.08,-14.09,;15.41,-13.33,;16.74,-14.11,;18.08,-13.36,;18.09,-11.82,;19.43,-11.06,;16.76,-11.04,;15.42,-11.8,;12.72,-16.41,;12.71,-17.97,;15.41,-21.07,;15.41,-22.63,;16.75,-20.29,;18.08,-21.06,;19.42,-20.29,;20.75,-21.06,;21.33,-19.63,;22.87,-19.73,;23.24,-21.23,;24.59,-21.96,;24.64,-23.49,;23.33,-24.3,;21.98,-23.57,;21.93,-22.04,;10.07,-21.06,;8.74,-20.3,;8.74,-18.75,;7.4,-17.98,;7.4,-16.44,)|
BDBM50217725 NCCN(C\C=C\c1ccccc1)C(=O)CCc1c[nH]c2ccccc12
BDBM50217726 NC1CCC(CC2CCC(CC2)N(C\C=C\c2ccccc2)C(=O)CCCc2c[nH]c3ccccc23)CC1 |(20.39,-31.41,;19.06,-32.18,;19.08,-33.72,;17.76,-34.5,;16.42,-33.73,;15.1,-34.51,;15.12,-36.05,;16.47,-36.81,;16.49,-38.36,;15.15,-39.14,;13.8,-38.4,;13.79,-36.84,;15.18,-40.69,;13.83,-41.65,;12.32,-40.96,;10.96,-41.92,;9.49,-41.15,;9.43,-39.49,;7.96,-38.73,;6.56,-39.62,;6.64,-41.28,;8.11,-42.04,;16.53,-41.45,;16.55,-43,;17.85,-40.66,;19.19,-41.39,;20.52,-40.62,;21.83,-41.38,;23.24,-40.71,;24.3,-41.83,;23.55,-43.17,;24.03,-44.61,;23.04,-45.77,;21.53,-45.47,;21.04,-44.02,;22.05,-42.87,;16.41,-32.21,;17.73,-31.43,)|
BDBM50217727 NC1CCC(CC2CCC(CC2)N(Cc2c(Cl)cccc2Cl)C(=O)CCCc2c[nH]c3ccccc23)CC1 |(.88,-32.97,;-.45,-33.74,;-.44,-35.29,;-1.76,-36.07,;-3.1,-35.3,;-4.43,-36.08,;-4.41,-37.62,;-3.06,-38.39,;-3.03,-39.94,;-4.38,-40.73,;-5.74,-39.98,;-5.75,-38.42,;-4.35,-42.28,;-5.71,-43.25,;-5.68,-46.01,;-4.34,-46.76,;-3.02,-45.97,;-4.31,-48.29,;-5.62,-49.09,;-6.98,-48.34,;-7,-46.8,;-8.35,-46.05,;-3,-43.04,;-2.97,-44.6,;-1.67,-42.25,;-.33,-42.98,;1.01,-42.21,;2.33,-42.97,;3.74,-42.3,;4.8,-43.43,;4.05,-44.77,;4.54,-46.22,;3.54,-47.38,;2.02,-47.08,;1.53,-45.63,;2.54,-44.47,;-3.12,-33.77,;-1.79,-32.99,)|
BDBM50217728 NCc1cccc(CN(Cc2ccc3ccccc3c2)C(=O)CCCc2c[nH]c3ccccc23)c1
BDBM50217729 N[C@H]1CC[C@H](C[C@H]2CC[C@@H](CC2)N(C\C(Cl)=C\c2ccccc2)C(=O)CCCc2c[nH]c3ccccc23)CC1 |wU:6.5,4.4,wD:9.12,1.0,(13.39,-.93,;12.07,-1.7,;10.74,-.95,;9.41,-1.73,;9.43,-3.25,;8.11,-4.03,;8.13,-5.56,;9.48,-6.32,;9.5,-7.87,;8.16,-8.65,;6.81,-7.91,;6.8,-6.35,;8.19,-10.2,;6.84,-11.16,;5.33,-10.47,;5.32,-8.8,;3.98,-11.43,;2.51,-10.66,;2.45,-9.01,;.98,-8.24,;-.43,-9.13,;-.34,-10.79,;1.12,-11.55,;9.54,-10.96,;9.56,-12.51,;10.86,-10.17,;12.19,-10.9,;13.52,-10.13,;14.84,-10.89,;16.25,-10.22,;17.31,-11.34,;16.55,-12.68,;17.04,-14.12,;16.04,-15.27,;14.53,-14.97,;14.04,-13.53,;15.05,-12.38,;10.76,-4.01,;12.08,-3.24,)|
BDBM50217730 N[C@H]1CC[C@@H](CC1)N(C\C(Cl)=C\c1ccccc1)C(=O)CCCc1c[nH]c2ccccc12 |wU:4.7,wD:1.0,(10.93,-6.88,;10.94,-8.42,;9.62,-9.21,;9.63,-10.75,;10.98,-11.5,;12.3,-10.71,;12.28,-9.18,;11.01,-13.04,;9.64,-13.93,;8.19,-13.19,;8.18,-11.55,;6.83,-14.08,;5.38,-13.34,;5.41,-11.72,;4.02,-10.89,;2.6,-11.68,;2.58,-13.31,;3.97,-14.14,;12.3,-13.84,;12.27,-15.36,;13.66,-13.1,;14.97,-13.9,;16.32,-13.16,;17.64,-13.96,;18.87,-14.89,;20.13,-14.01,;19.67,-12.54,;20.46,-11.23,;19.72,-9.89,;18.18,-9.86,;17.4,-11.18,;18.14,-12.51,)|
BDBM50217731 COc1cc(Cl)c(CN(C2CCC(CC3CCC(N)CC3)CC2)C(=O)CCCc2c(Cc3ccc(O)cc3)[nH]c3ccccc23)cc1OC |(7.75,-.95,;7.77,-2.49,;9.12,-3.24,;9.14,-4.78,;10.49,-5.53,;10.51,-7.07,;11.8,-4.74,;13.15,-5.49,;14.47,-4.69,;14.45,-3.14,;15.79,-2.35,;15.77,-.8,;14.41,-.03,;14.4,1.51,;15.72,2.29,;17.06,1.52,;18.39,2.3,;18.37,3.85,;19.7,4.62,;17.03,4.6,;15.7,3.82,;13.08,-.83,;13.09,-2.39,;15.83,-5.45,;15.85,-7.01,;17.16,-4.66,;18.49,-5.39,;19.83,-4.62,;21.15,-5.38,;22.57,-4.71,;23.33,-3.37,;24.87,-3.36,;25.64,-4.69,;27.18,-4.68,;27.94,-3.34,;29.48,-3.32,;27.15,-2,;25.62,-2.02,;23.62,-5.84,;22.87,-7.18,;23.36,-8.63,;22.36,-9.79,;20.84,-9.49,;20.35,-8.04,;21.36,-6.88,;11.78,-3.2,;10.44,-2.45,;10.42,-.91,;11.74,-.12,)|
BDBM50217779 Cc1ccc(CN(C2CCC(CC3CCC(N)CC3)CC2)C(=O)CCCc2c(Cc3ccc(O)cc3)[nH]c3ccccc23)cc1 |(27.65,-19.83,;28.99,-20.58,;30.32,-19.79,;31.66,-20.54,;31.68,-22.09,;33.03,-22.84,;34.35,-22.05,;34.32,-20.49,;35.66,-19.7,;35.64,-18.15,;34.29,-17.39,;34.27,-15.85,;35.59,-15.06,;36.93,-15.83,;38.26,-15.05,;38.25,-13.51,;39.57,-12.72,;36.9,-12.75,;35.58,-13.53,;32.95,-18.18,;32.96,-19.74,;35.7,-22.81,;35.73,-24.36,;37.03,-22.01,;38.37,-22.74,;39.7,-21.97,;41.05,-22.7,;42.45,-22.06,;43.16,-20.71,;44.71,-20.71,;45.46,-22.05,;47.01,-22.05,;47.78,-20.72,;49.32,-20.72,;47.01,-19.38,;45.47,-19.38,;43.5,-23.19,;42.74,-24.54,;43.23,-25.98,;42.23,-27.14,;40.71,-26.84,;40.23,-25.39,;41.23,-24.23,;30.36,-22.87,;29.02,-22.13,)|
BDBM50217780 NCCCN(C\C=C\c1ccccc1)C(=O)Cc1ccc2ccccc2c1
BDBM50217781 COc1ccc2n(C(=O)c3ccc(Cl)cc3)c(C)c(CC(=O)N(CCCCN)C34CC5CC(CC(C5)C3)C4)c2c1 |TLB:31:32:36:30.35.29,THB:33:32:35.34.36:29|
BDBM50217782 NC1CCCC(C1)NC(=O)NC1CCCC(C1)N(C\C(Cl)=C\c1ccccc1)C(=O)CCCc1c[nH]c2ccccc12
BDBM50217783 C\C(CN(CCCN)C(=O)c1c[nH]c2ccccc12)=C/c1ccccc1
BDBM50217668 CC(C)N(CCCCN)C(=O)c1c[nH]c2ccccc12
BDBM50217748 NC1CCC(CC2CCC(CC2)N(Cc2c(F)cccc2Cl)C(=O)CCCc2c(Cc3ccc(O)cc3)[nH]c3ccccc23)CC1 |(-.47,-12.98,;-1.8,-13.76,;-1.79,-15.3,;-3.11,-16.08,;-4.46,-15.31,;-5.78,-16.1,;-5.76,-17.64,;-4.41,-18.4,;-4.39,-19.95,;-5.73,-20.74,;-7.09,-19.99,;-7.1,-18.43,;-5.7,-22.3,;-7.44,-23.11,;-7.47,-25.29,;-8.81,-26.05,;-10.14,-25.28,;-8.81,-27.59,;-7.47,-28.37,;-6.14,-27.59,;-6.14,-26.05,;-5.25,-24.71,;-4.35,-23.06,;-4.32,-24.62,;-3.02,-22.26,;-1.68,-23,;-.34,-22.23,;.98,-22.99,;2.39,-22.32,;3.15,-20.98,;4.69,-20.96,;5.47,-22.29,;7.01,-22.28,;7.77,-20.94,;9.31,-20.93,;6.98,-19.61,;5.44,-19.63,;3.44,-23.44,;2.7,-24.79,;3.19,-26.23,;2.18,-27.39,;.67,-27.09,;.18,-25.64,;1.19,-24.49,;-4.47,-13.78,;-3.14,-13,)|
BDBM50217784 NCCCCCN(C\C=C\c1ccccc1)C(=O)CCc1c[nH]c2ccccc12
BDBM50217670 COc1ccc(CN(C2CCC(CC3CCC(N)CC3)CC2)C(=O)CCCc2c(Cc3ccc(O)cc3)[nH]c3ccccc23)cc1OC |(-10.93,-16.01,;-10.93,-17.55,;-9.6,-18.32,;-9.59,-19.87,;-8.26,-20.64,;-6.94,-19.87,;-5.6,-20.64,;-4.27,-19.87,;-4.27,-18.31,;-2.92,-17.54,;-2.92,-15.99,;-4.26,-15.2,;-4.25,-13.66,;-2.92,-12.9,;-1.59,-13.69,;-.25,-12.93,;-.24,-11.39,;1.1,-10.63,;-1.57,-10.61,;-2.92,-11.37,;-5.61,-15.98,;-5.62,-17.54,;-2.93,-20.64,;-2.93,-22.2,;-1.58,-19.87,;-.25,-20.63,;1.08,-19.86,;2.42,-20.63,;3,-19.2,;2.18,-17.9,;2.91,-16.54,;4.45,-16.49,;5.17,-15.13,;4.35,-13.82,;5.08,-12.46,;2.81,-13.88,;2.09,-15.24,;4.53,-19.31,;4.91,-20.81,;6.25,-21.53,;6.31,-23.06,;5,-23.87,;3.64,-23.14,;3.6,-21.61,;-6.93,-18.32,;-8.26,-17.55,;-8.26,-16.01,;-9.59,-15.24,)|
BDBM50217671 CC1CC(CC2CCC(C(C)C2)N(C\C(Cl)=C\c2ccccc2)C(=O)CCCc2c[nH]c3ccccc23)CCC1N |w:8.12,5.4,3.3,9.9,39.44,1.0|
BDBM50217672 NC(N)=NCCN(Cc1ccc2ccccc2c1)C(=O)Cc1c[nH]c2ccccc12 |(3.44,-1.47,;4.98,-1.47,;5.75,-.15,;5.75,-2.81,;5.83,-4.35,;7.2,-5.05,;7.28,-6.58,;5.95,-7.52,;4.55,-6.7,;3.15,-7.51,;1.74,-6.7,;1.75,-5.07,;.35,-4.25,;.35,-2.63,;1.77,-1.82,;3.17,-2.64,;3.16,-4.27,;4.56,-5.08,;8.61,-7.33,;8.64,-8.85,;9.86,-6.58,;11.14,-7.29,;12.33,-6.46,;13.5,-7.35,;13.02,-8.72,;13.71,-10,;12.95,-11.25,;11.49,-11.21,;10.79,-9.92,;11.56,-8.69,)|
BDBM50217749 NC(N)=NC1CCC(CC2CCC(CC2)N(C\C(Cl)=C\c2ccccc2)C(=O)CCCc2c[nH]c3ccccc23)CC1 |(37.75,-39.73,;39.09,-40.5,;40.42,-39.74,;39.08,-42.05,;37.77,-42.88,;37.84,-44.42,;36.55,-45.24,;35.19,-44.53,;33.89,-45.37,;33.97,-46.9,;35.34,-47.61,;35.41,-49.14,;34.12,-49.98,;32.75,-49.28,;32.68,-47.74,;34.21,-51.51,;32.88,-52.45,;31.47,-51.64,;31.48,-50.01,;30.06,-52.44,;28.66,-51.62,;28.67,-50,;27.27,-49.18,;25.86,-49.99,;25.85,-51.62,;27.26,-52.43,;35.53,-52.26,;35.56,-53.78,;36.85,-51.47,;38.21,-52.22,;39.52,-51.42,;40.86,-52.17,;40.76,-53.71,;42.19,-54.29,;43.17,-53.1,;44.7,-53.04,;45.42,-51.69,;44.59,-50.39,;43.07,-50.45,;42.36,-51.8,;35.11,-43,;36.41,-42.17,)|
BDBM50217750 NCCCCCN(C1C2CC3CC(C2)CC1C3)C(=O)CCCc1c[nH]c2ccccc12 |TLB:6:7:13:9.10.11,16:15:13:9.10.11,THB:6:7:9.16.10:14.12.13,16:10:7.15.14:13,11:10:7:14.12.13,11:12:7:9.16.10,(31.53,-9.45,;32.86,-10.22,;32.85,-11.76,;34.2,-12.54,;34.2,-14.1,;32.85,-14.85,;32.85,-16.41,;31.52,-17.19,;29.92,-16.49,;29.93,-15.08,;29.13,-13.88,;27.69,-14.38,;27.61,-15.89,;28.52,-17,;29.13,-16.45,;30.62,-15.91,;30.68,-14.4,;34.2,-17.19,;34.2,-18.74,;35.53,-16.41,;36.87,-17.18,;38.2,-16.4,;39.54,-17.17,;40.15,-18.58,;41.68,-18.45,;42.02,-16.95,;43.36,-16.21,;43.38,-14.67,;42.06,-13.89,;40.73,-14.63,;40.7,-16.16,)|
BDBM50217751 NC(N)=NCCN(Cc1ccc2ccccc2c1)C(=O)CCc1c[nH]c2ccccc12 |(-7.05,-14.19,;-5.51,-14.2,;-4.74,-12.87,;-4.74,-15.54,;-4.66,-17.07,;-3.29,-17.77,;-3.21,-19.31,;-4.54,-20.25,;-5.94,-19.43,;-7.34,-20.24,;-8.75,-19.43,;-8.74,-17.79,;-10.14,-16.98,;-10.14,-15.36,;-8.72,-14.55,;-7.32,-15.37,;-7.33,-16.99,;-5.93,-17.81,;-1.88,-20.05,;-1.85,-21.58,;-.56,-19.26,;.79,-20.01,;2.11,-19.22,;2.71,-17.8,;4.24,-17.89,;4.54,-19.4,;5.85,-20.13,;5.88,-21.64,;4.58,-22.41,;3.27,-21.68,;3.25,-20.17,)|
BDBM50217752 CC(C)N(CCCCN)C(=O)c1c(Cc2ccc(O)cc2)[nH]c2ccccc12
BDBM50217785 NCCCCCCN(Cc1ccccc1)C(=O)CCCc1c(Cc2ccc(O)cc2)[nH]c2ccccc12
BDBM50217786 NC1CCC(CC2CCC(CC2)N(Cc2ccccc2F)C(=O)CCCc2c[nH]c3ccccc23)CC1 |(1.33,-26.36,;-.01,-27.12,;-.02,-28.66,;-1.35,-29.42,;-2.68,-28.63,;-4.02,-29.4,;-4.03,-30.94,;-2.68,-31.72,;-2.69,-33.27,;-4.04,-34.05,;-5.38,-33.27,;-5.38,-31.71,;-4.04,-35.6,;-5.37,-36.37,;-6.7,-35.6,;-6.7,-34.06,;-8.03,-33.29,;-9.36,-34.06,;-9.36,-35.61,;-8.03,-36.37,;-8.02,-37.91,;-2.69,-36.38,;-2.69,-37.93,;-1.35,-35.6,;-.02,-36.37,;1.32,-35.59,;2.65,-36.36,;3.23,-34.94,;4.77,-35.04,;5.14,-36.54,;6.49,-37.26,;6.54,-38.79,;5.23,-39.61,;3.88,-38.88,;3.83,-37.35,;-2.68,-27.1,;-1.34,-26.34,)|
BDBM50217787 NCCCCCCCCN(C\C=C\c1ccccc1)C(=O)CCc1c[nH]c2ccccc12
BDBM50217673 NCCN(C\C(Cl)=C\c1ccccc1)C(=O)CCCc1c[nH]c2ccccc12
BDBM50217753 CCOc1cc(CN(C2CCC(CC3CCC(N)CC3)CC2)C(=O)CCCc2c(Cc3ccc(O)cc3)[nH]c3ccccc23)ccc1OC |(26.76,-14.17,;26.76,-15.71,;28.09,-16.48,;28.09,-18.02,;29.42,-18.79,;29.42,-20.33,;30.75,-21.1,;32.08,-20.33,;32.08,-18.78,;33.43,-18,;33.44,-16.46,;32.09,-15.67,;32.1,-14.13,;33.44,-13.37,;34.77,-14.15,;36.1,-13.4,;36.11,-11.85,;37.45,-11.09,;34.78,-11.08,;33.44,-11.84,;30.74,-16.45,;30.74,-18.01,;33.43,-21.11,;33.43,-22.67,;34.77,-20.33,;36.1,-21.1,;37.44,-20.33,;38.77,-21.09,;39.35,-19.67,;38.54,-18.36,;39.26,-17,;40.8,-16.96,;41.52,-15.6,;40.71,-14.29,;41.43,-12.93,;39.16,-14.35,;38.44,-15.71,;40.89,-19.77,;41.26,-21.27,;42.61,-21.99,;42.66,-23.52,;41.35,-24.34,;40,-23.61,;39.95,-22.08,;28.09,-21.1,;26.76,-20.34,;26.76,-18.79,;25.42,-18.02,;25.43,-16.48,)|
BDBM50217754 NC(N)=NCCCCN(Cc1ccc2ccccc2c1)C(=O)CCc1c[nH]c2ccccc12 |(-8.45,-40,;-6.91,-40,;-6.13,-38.68,;-6.14,-41.34,;-6.06,-42.88,;-7.35,-43.72,;-7.27,-45.26,;-5.9,-45.95,;-5.81,-47.49,;-7.14,-48.43,;-8.55,-47.61,;-9.95,-48.42,;-11.36,-47.61,;-11.36,-45.98,;-12.75,-45.16,;-12.75,-43.54,;-11.34,-42.73,;-9.93,-43.55,;-9.94,-45.17,;-8.56,-46.09,;-4.48,-48.24,;-4.46,-49.76,;-3.16,-47.45,;-1.82,-48.19,;-.5,-47.4,;.07,-48.84,;1.61,-48.74,;1.99,-47.24,;3.34,-46.54,;3.4,-45,;2.1,-44.18,;.75,-44.9,;.69,-46.42,)|
BDBM50217755 NCCCCCN(Cc1ccccc1)C(=O)[C@H](N)Cc1ccc(cc1)[N+]([O-])=O
BDBM50217788 NCC1CCC(CN(C\C(Cl)=C\c2ccccc2)C(=O)CCCc2c[nH]c3ccccc23)CC1 |(12.03,-2.53,;12.05,-4.06,;10.73,-4.84,;10.75,-6.37,;9.43,-7.16,;8.08,-6.41,;6.75,-7.19,;6.77,-8.73,;5.41,-9.62,;3.96,-8.88,;3.95,-7.24,;2.6,-9.77,;1.15,-9.03,;1.07,-7.41,;-.38,-6.67,;-1.74,-7.56,;-1.65,-9.19,;-.2,-9.92,;8.07,-9.53,;8.04,-11.05,;9.42,-8.79,;10.74,-9.59,;12.09,-8.85,;13.07,-9.11,;13.73,-10.51,;15.25,-10.32,;15.54,-8.8,;16.85,-8.01,;16.82,-6.48,;15.47,-5.74,;14.16,-6.54,;14.2,-8.06,;8.06,-4.87,;9.39,-4.08,)|
BDBM50217789 C\C(CN(CCCN)C(=O)C(=O)c1c[nH]c2ccccc12)=C/c1ccccc1
BDBM50217674 NC1CCC(CC2CCC(CC2)N(C\C(Cl)=C\c2ccccc2)C(=O)CCCc2c[nH]c3ccccc23)CC1 |(20.39,5.04,;19.05,4.28,;19.03,2.74,;17.7,1.99,;16.37,2.77,;15.03,2.01,;15.03,.47,;16.37,-.32,;16.37,-1.87,;15.02,-2.64,;13.67,-1.87,;13.68,-.31,;15.02,-4.19,;13.69,-4.96,;12.35,-4.19,;12.35,-2.65,;11.02,-4.96,;9.69,-4.19,;9.69,-2.66,;8.36,-1.89,;7.03,-2.66,;7.03,-4.2,;8.36,-4.97,;16.36,-4.97,;16.36,-6.53,;17.7,-4.19,;19.04,-4.96,;20.37,-4.19,;21.71,-4.96,;22.29,-3.53,;23.82,-3.63,;24.2,-5.13,;25.54,-5.86,;25.59,-7.39,;24.29,-8.2,;22.93,-7.47,;22.89,-5.94,;16.37,4.3,;17.72,5.06,)|
BDBM50217675 NC(N)=NCCCN(Cc1ccc2ccccc2c1)C(=O)Cc1c[nH]c2ccccc12 |(4.63,-1.88,;5.96,-2.65,;7.3,-1.9,;5.96,-4.2,;4.59,-4.92,;4.55,-6.46,;5.92,-7.16,;6,-8.7,;4.68,-9.64,;3.27,-8.82,;1.87,-9.63,;.47,-8.82,;.47,-7.18,;-.94,-6.37,;-.93,-4.74,;.49,-3.94,;1.89,-4.75,;1.88,-6.38,;3.25,-7.31,;7.34,-9.44,;7.37,-10.97,;8.66,-8.65,;10,-9.4,;11.13,-8.61,;12.26,-9.46,;11.8,-10.78,;12.46,-12,;11.73,-13.2,;10.33,-13.16,;9.66,-11.93,;10.4,-10.74,)|
BDBM50217676 COc1ccc(CN(C2CCC(CC3CCC(N)CC3)CC2)C(=O)CCCc2c[nH]c3ccccc23)cc1OC |(26.01,.19,;26.01,-1.35,;27.35,-2.12,;27.35,-3.67,;28.68,-4.43,;30.01,-3.66,;31.34,-4.44,;32.68,-3.67,;32.68,-2.11,;34.02,-1.34,;34.03,.21,;32.68,1,;32.69,2.54,;34.03,3.3,;35.36,2.51,;36.69,3.27,;36.7,4.81,;38.04,5.57,;35.37,5.59,;34.03,4.83,;31.33,.22,;31.33,-1.34,;34.02,-4.44,;34.02,-6,;35.36,-3.67,;36.7,-4.43,;38.03,-3.66,;39.36,-4.43,;39.94,-3,;41.48,-3.11,;41.85,-4.61,;43.2,-5.33,;43.25,-6.86,;41.94,-7.67,;40.59,-6.94,;40.54,-5.41,;30.02,-2.12,;28.68,-1.35,;28.69,.19,;27.35,.96,)|
BDBM50217677 NCCCCCCN(C\C(Cl)=C\c1ccccc1)C(=O)CCCc1c[nH]c2ccccc12
BDBM50217756 CSc1ccc(CN(C2CCC(CC3CCC(N)CC3)CC2)C(=O)CCCc2c[nH]c3ccccc23)cc1 |(8.78,-49.29,;8.78,-50.83,;10.11,-51.6,;11.45,-50.83,;12.78,-51.6,;12.77,-53.14,;14.1,-53.91,;15.44,-53.14,;15.44,-51.59,;16.79,-50.82,;16.79,-49.27,;15.45,-48.48,;15.45,-46.94,;16.79,-46.18,;18.12,-46.96,;19.45,-46.21,;19.47,-44.67,;20.81,-43.91,;18.14,-43.89,;16.79,-44.65,;14.1,-49.26,;14.09,-50.82,;16.78,-53.92,;16.78,-55.48,;18.12,-53.14,;19.46,-53.91,;20.79,-53.14,;22.13,-53.9,;22.71,-52.48,;24.24,-52.58,;24.61,-54.08,;25.96,-54.8,;26.01,-56.33,;24.7,-57.15,;23.35,-56.42,;23.31,-54.89,;11.45,-53.91,;10.12,-53.15,)|
BDBM50217757 NC(N)=NC1CCC(CC2CCC(CC2)N(Cc2ccccc2)C(=O)CCCc2c[nH]c3ccccc23)CC1 |(-.94,5.23,;.39,4.45,;1.73,5.21,;.38,2.91,;-.91,2.08,;-.85,.54,;-2.14,-.29,;-3.5,.42,;-4.8,-.41,;-4.72,-1.95,;-3.35,-2.65,;-3.27,-4.19,;-4.57,-5.02,;-5.94,-4.33,;-6.01,-2.78,;-4.48,-6.56,;-5.81,-7.5,;-7.22,-6.68,;-7.2,-5.05,;-8.61,-4.23,;-10.02,-5.04,;-10.02,-6.67,;-8.62,-7.49,;-3.15,-7.3,;-3.13,-8.83,;-1.83,-6.51,;-.49,-7.26,;.83,-6.47,;2.18,-7.21,;2.07,-8.75,;3.5,-9.32,;4.48,-8.14,;6.01,-8.08,;6.73,-6.73,;5.91,-5.43,;4.38,-5.49,;3.67,-6.84,;-3.59,1.95,;-2.28,2.79,)|
BDBM50217758 NCCCCCN(Cc1ccccc1)C(=O)[C@H](N)Cc1c[nH]c2ccccc12
BDBM50217759 NCCCCCN(Cc1ccc2OCOc2c1)C(=O)CCCc1c[nH]c2ccccc12
BDBM50217790 NCCN(CCCc1ccccc1)C(=O)CCc1c[nH]c2ccccc12
BDBM50217630 CSc1ccc(CN(C2CCC(CC3CCC(N)CC3)CC2)C(=O)CCCc2c(Cc3ccc(O)cc3)[nH]c3ccccc23)cc1 |(27.71,-48.95,;27.71,-50.49,;29.04,-51.26,;30.38,-50.49,;31.71,-51.26,;31.7,-52.8,;33.04,-53.58,;34.37,-52.81,;34.37,-51.25,;35.72,-50.48,;35.72,-48.93,;34.38,-48.14,;34.39,-46.6,;35.72,-45.84,;37.05,-46.63,;38.39,-45.87,;38.4,-44.33,;39.74,-43.57,;37.07,-43.55,;35.72,-44.31,;33.03,-48.92,;33.02,-50.48,;35.71,-53.58,;35.71,-55.14,;37.06,-52.81,;38.39,-53.57,;39.72,-52.8,;41.06,-53.57,;41.64,-52.14,;40.82,-50.84,;41.55,-49.48,;43.09,-49.43,;43.81,-48.07,;42.99,-46.76,;43.72,-45.4,;41.45,-46.82,;40.73,-48.18,;43.17,-52.25,;43.55,-53.75,;44.89,-54.47,;44.95,-56,;43.64,-56.81,;42.28,-56.08,;42.24,-54.55,;30.38,-53.57,;29.05,-52.81,)|
BDBM50217791 COC(=O)c1ccc(CN(C2CCC(CC3CCC(N)CC3)CC2)C(=O)CCCc2c(Cc3ccc(O)cc3)[nH]c3ccccc23)cc1 |(-12.32,-50.61,;-10.98,-51.38,;-9.64,-50.61,;-9.64,-49.07,;-8.31,-51.38,;-6.98,-50.61,;-5.65,-51.38,;-5.65,-52.92,;-4.32,-53.69,;-2.99,-52.92,;-2.99,-51.37,;-1.64,-50.59,;-1.63,-49.04,;-2.98,-48.26,;-2.97,-46.72,;-1.63,-45.96,;-.3,-46.74,;1.03,-45.98,;1.04,-44.44,;2.38,-43.68,;-.29,-43.66,;-1.63,-44.43,;-4.33,-49.04,;-4.33,-50.6,;-1.64,-53.7,;-1.64,-55.26,;-.3,-52.92,;1.03,-53.69,;2.37,-52.92,;3.7,-53.68,;4.28,-52.26,;3.47,-50.95,;4.19,-49.59,;5.73,-49.54,;6.45,-48.19,;5.64,-46.88,;6.36,-45.52,;4.09,-46.94,;3.37,-48.3,;5.82,-52.36,;6.19,-53.86,;7.54,-54.58,;7.59,-56.11,;6.28,-56.93,;4.93,-56.2,;4.88,-54.67,;-6.98,-53.69,;-8.31,-52.93,)|
BDBM50217792 NCCCCCN(Cc1ccc2ccccc2c1)C(=O)Cc1c[nH]c2ccccc12
BDBM50217793 CCN(CC)c1ccc(CN(CCCCCN)C(=O)CCCc2c[nH]c3ccccc23)cc1
BDBM50217631 NCc1cccc(CN(Cc2ccccc2)C(=O)CCCc2c[nH]c3ccccc23)c1
BDBM50217632 NCCCCN(C\C(Cl)=C\c1ccccc1)C(=O)CCCc1c[nH]c2ccccc12
BDBM50217633 NCCCN(C\C=C\c1ccccc1)C(=O)Cc1c[nH]c2ccccc12
BDBM50217634 NC1CCC(CC2CCC(CC2)N(C\C(Cl)=C\c2ccccc2)C(=O)COc2ccc3ccccc3c2)CC1 |(15.37,-1.47,;14.05,-2.25,;14.06,-3.78,;12.74,-4.56,;11.4,-3.8,;10.08,-4.58,;10.1,-6.12,;11.45,-6.88,;11.47,-8.42,;10.13,-9.21,;8.78,-8.46,;8.77,-6.91,;10.16,-10.76,;8.83,-11.56,;7.47,-10.8,;7.45,-9.25,;6.14,-11.6,;4.79,-10.84,;4.77,-9.29,;3.42,-8.54,;2.09,-9.33,;2.11,-10.89,;3.47,-11.64,;11.51,-11.52,;11.54,-13.07,;12.84,-10.72,;14.17,-11.46,;15.5,-10.69,;16.82,-11.46,;18.16,-10.7,;18.15,-9.16,;19.48,-8.39,;19.48,-6.85,;18.14,-6.08,;16.81,-6.86,;16.82,-8.39,;15.49,-9.16,;11.39,-2.27,;12.71,-1.5,)|
BDBM50217635 NCCCN(C1CCc2ccccc2C1)C(=O)c1cc2cc(OCc3ccccc3)ccc2[nH]1 |w:5.4|
BDBM50217636 N[C@H]1CC[C@@H](CC1)NC(=O)NC1CCCC(C1)N(Cc1ccccc1)C(=O)CCCc1c[nH]c2ccccc12 |wU:4.7,wD:1.0,(16.63,-2.49,;15.28,-3.23,;13.96,-2.42,;12.6,-3.16,;12.58,-4.7,;13.89,-5.5,;15.24,-4.77,;11.23,-5.44,;9.91,-4.64,;9.94,-3.1,;8.56,-5.38,;7.21,-6.11,;5.89,-5.31,;4.53,-6.04,;4.5,-7.59,;5.82,-8.38,;7.16,-7.65,;5.83,-9.93,;4.47,-10.82,;3.02,-10.08,;2.94,-8.46,;1.49,-7.72,;.13,-8.61,;.22,-10.24,;1.67,-10.97,;7.13,-10.73,;7.1,-12.25,;8.48,-9.99,;9.8,-10.79,;11.15,-10.05,;12.13,-10.31,;12.79,-11.71,;14.31,-11.51,;14.6,-10,;15.91,-9.21,;15.87,-7.67,;14.52,-6.94,;13.22,-7.73,;13.26,-9.26,)|
BDBM50217637 COc1ccc2n(C(=O)c3ccc(Cl)cc3)c(C)c(CC(=O)N(CCCCN)C\C(C)=C\c3ccccc3)c2c1
BDBM50217638 Cc1ccccc1CN(C1CCC(CC2CCC(N)CC2)CC1)C(=O)CCCc1c[nH]c2ccccc12 |(31.04,-6.55,;31.01,-5.01,;29.67,-4.27,;29.64,-2.72,;30.97,-1.93,;32.32,-2.69,;32.33,-4.23,;33.68,-4.98,;35,-4.19,;34.97,-2.63,;36.31,-1.84,;36.29,-.29,;34.94,.47,;34.92,2.01,;36.24,2.8,;37.58,2.03,;38.91,2.81,;38.9,4.35,;40.22,5.13,;37.56,5.11,;36.23,4.33,;33.6,-.32,;33.61,-1.88,;36.35,-4.95,;36.38,-6.5,;37.68,-4.15,;39.02,-4.89,;40.35,-4.12,;41.68,-4.88,;43.09,-4.21,;44.14,-5.33,;43.39,-6.68,;43.88,-8.12,;42.88,-9.28,;41.37,-8.98,;40.88,-7.53,;41.89,-6.37,)|
BDBM50217639 CC(N(CCCN)C(=O)CCCc1c[nH]c2ccccc12)c1csc2ccccc12 |w:1.0|
BDBM50217640 CC(N(CCCCCN)C(=O)Cc1c[nH]c2ccccc12)c1ccc(cc1)C(F)(F)F |w:1.0|
BDBM50217641 N[C@H]1CC[C@@H](CC1)N(Cc1ccccc1)C(=O)CCCc1c[nH]c2ccccc12 |wU:1.0,wD:4.7,(8.26,-5.32,;8.28,-6.87,;9.62,-7.63,;9.64,-9.17,;8.32,-9.96,;6.96,-9.21,;6.94,-7.66,;8.34,-11.51,;7.01,-12.27,;5.68,-11.49,;5.7,-9.96,;4.38,-9.19,;3.05,-9.95,;3.04,-11.49,;4.37,-12.26,;9.64,-12.31,;9.61,-13.84,;11,-11.57,;12.32,-12.37,;13.68,-11.63,;14.67,-11.89,;15.32,-13.29,;16.86,-13.1,;17.14,-11.58,;18.46,-10.78,;18.43,-9.24,;17.07,-8.5,;15.76,-9.3,;15.79,-10.83,)|
BDBM50217642 CC(CN(CCCCCCN)C(=O)c1cc2cc(O)ccc2[nH]1)Cc1ccccc1 |w:1.0|
BDBM50217643 NCCCN(Cc1ccc2ccccc2c1)C(=O)Cc1c[nH]c2ccccc12
BDBM50217644 COc1cc(Cl)c(CN(C2CCC(CC3CCC(N)CC3)CC2)C(=O)CCCc2c[nH]c3ccccc23)cc1OC |(20.46,-54,;20.49,-55.54,;21.83,-56.29,;21.86,-57.84,;23.2,-58.58,;23.23,-60.12,;24.52,-57.79,;25.87,-58.54,;27.19,-57.75,;27.16,-56.19,;28.5,-55.4,;28.48,-53.85,;27.13,-53.09,;27.11,-51.55,;28.44,-50.76,;29.78,-51.53,;31.1,-50.75,;31.09,-49.21,;32.42,-48.42,;29.75,-48.45,;28.42,-49.23,;25.79,-53.88,;25.8,-55.44,;28.54,-58.51,;28.57,-60.06,;29.87,-57.71,;31.21,-58.44,;32.55,-57.67,;33.9,-58.4,;35.3,-57.76,;36.34,-58.89,;35.59,-60.24,;36.08,-61.68,;35.08,-62.84,;33.56,-62.54,;33.07,-61.09,;34.08,-59.93,;24.5,-56.25,;23.16,-55.5,;23.14,-53.96,;24.46,-53.17,)|
BDBM50217645 NCCCN(CCc1ccccc1)C(=O)CCCc1c[nH]c2ccccc12
BDBM50217646 NCc1ccc(CN(Cc2ccc3ccccc3c2)C(=O)CCCc2c[nH]c3ccccc23)cc1
BDBM50217647 CC1CC(CC2CCC(C(C)C2)N(Cc2ccccc2)C(=O)CCCc2c[nH]c3ccccc23)CCC1N |w:8.12,5.4,3.3,9.9,36.41,1.0|
BDBM50217648 NCCCN(C\C(Cl)=C\c1ccccc1)C(=O)CCCc1c[nH]c2ccccc12
BDBM50217649 NCCCCCN(Cc1ccc2ccccc2c1)C(=O)CCCc1c[nH]c2ccccc12
BDBM50217650 NC1CCC(CC2CCC(CC2)N(Cc2ccccc2)C(=O)CCCc2c[nH]c3ccccc23)CC1 |(34.29,-13.78,;32.97,-14.56,;32.98,-16.09,;31.66,-16.87,;30.32,-16.11,;29,-16.89,;29.02,-18.43,;30.37,-19.19,;30.39,-20.73,;29.05,-21.52,;27.7,-20.77,;27.69,-19.21,;29.08,-23.07,;27.64,-23.9,;26.22,-23.07,;26.22,-21.41,;24.79,-20.58,;23.36,-21.4,;23.36,-23.07,;24.79,-23.89,;30.43,-23.83,;30.46,-25.38,;31.75,-23.03,;33.09,-23.77,;34.42,-23,;35.74,-23.76,;37.15,-23.09,;38.2,-24.21,;37.45,-25.55,;37.94,-26.99,;36.94,-28.15,;35.43,-27.85,;34.94,-26.4,;35.95,-25.25,;30.31,-14.58,;31.63,-13.81,)|
BDBM50217651 NCCCCCN(Cc1ccc2ccccc2c1)C(=O)CCc1c[nH]c2ccccc12
BDBM50217652 NCC1CCCC(CN(Cc2ccccc2)C(=O)CCCc2c[nH]c3ccccc23)C1 |w:6.6,2.1|
BDBM50217653 NC1CCC(CC2CCC(CC2)N(Cc2c(F)cccc2F)C(=O)CCCc2c[nH]c3ccccc23)CC1 |(39.45,-34.23,;38.12,-35,;38.13,-36.55,;36.81,-37.33,;35.47,-36.56,;34.14,-37.34,;34.16,-38.88,;35.51,-39.65,;35.54,-41.2,;34.19,-41.99,;32.83,-41.24,;32.82,-39.68,;34.22,-43.54,;32.86,-44.51,;32.89,-47.27,;31.57,-48.06,;30.22,-47.31,;31.59,-49.6,;32.95,-50.35,;34.26,-49.55,;34.23,-48.02,;35.55,-47.23,;35.57,-44.3,;35.6,-45.86,;36.9,-43.51,;38.24,-44.24,;39.58,-43.47,;40.9,-44.23,;42.31,-43.56,;43.37,-44.69,;42.62,-46.03,;43.11,-47.48,;42.11,-48.64,;40.59,-48.34,;40.1,-46.89,;41.11,-45.73,;35.45,-35.03,;36.78,-34.25,)|
BDBM50217654 NCCCN(Cc1ccc2ccccc2c1)C(=O)Cc1ccc2ccccc2c1
BDBM50217655 NC(N)=NCCCN(Cc1ccc2ccccc2c1)C(=O)CCCc1c[nH]c2ccccc12 |(12.1,-27.56,;13.64,-27.56,;14.41,-26.24,;14.41,-28.9,;13.11,-29.73,;13.19,-31.27,;14.56,-31.97,;14.64,-33.51,;13.31,-34.45,;11.91,-33.63,;10.51,-34.44,;9.1,-33.62,;9.11,-31.99,;7.71,-31.18,;7.71,-29.56,;9.13,-28.75,;10.53,-29.57,;10.52,-31.19,;11.9,-32.11,;15.97,-34.25,;16,-35.78,;17.29,-33.46,;18.64,-34.21,;19.96,-33.42,;21.3,-34.16,;21.2,-35.7,;22.62,-36.27,;23.61,-35.09,;25.14,-35.03,;25.85,-33.68,;25.03,-32.38,;23.51,-32.44,;22.8,-33.79,)|
BDBM50217656 NCCCN(C\C(Cl)=C\c1ccccc1)C(=O)C(=O)c1c[nH]c2ccccc12
BDBM50217678 NC1CCC(CC2CCC(CC2)N(CC(Br)=C)C(=O)CCCc2c[nH]c3ccccc23)CC1 |(20.22,4.36,;18.9,3.59,;18.91,2.05,;17.59,1.27,;16.25,2.03,;14.92,1.25,;14.94,-.29,;16.29,-1.05,;16.31,-2.61,;14.97,-3.39,;13.61,-2.65,;13.61,-1.08,;15,-4.95,;13.64,-5.91,;12.13,-5.21,;12.12,-3.54,;10.77,-6.18,;16.35,-5.71,;16.38,-7.26,;17.68,-4.91,;19.02,-5.65,;20.36,-4.88,;21.68,-5.64,;23.09,-4.97,;24.14,-6.09,;23.39,-7.44,;23.88,-8.88,;22.88,-10.04,;21.37,-9.74,;20.88,-8.29,;21.89,-7.13,;16.23,3.56,;17.56,4.34,)|
BDBM50217679 NCCCN1CCN(CCCN(Cc2ccccc2)C(=O)CCCc2c[nH]c3ccccc23)CC1
BDBM50217680 NC1CCC(CC2CCC(CC2)N(Cc2ccncc2)C(=O)CCCc2c[nH]c3ccccc23)CC1 |(.66,-30.67,;-.67,-31.45,;-.66,-32.99,;-1.99,-33.77,;-3.33,-33.01,;-4.65,-33.79,;-4.64,-35.33,;-3.28,-36.09,;-3.26,-37.65,;-4.6,-38.44,;-5.96,-37.69,;-5.97,-36.12,;-4.58,-40,;-5.9,-40.79,;-7.25,-40.04,;-7.27,-38.5,;-8.61,-37.75,;-9.94,-38.54,;-9.91,-40.08,;-8.56,-40.83,;-3.22,-40.76,;-3.19,-42.31,;-1.89,-39.96,;-.55,-40.69,;.79,-39.92,;2.11,-40.68,;3.52,-40.01,;4.57,-41.14,;3.83,-42.49,;4.32,-43.93,;3.32,-45.09,;1.8,-44.79,;1.31,-43.34,;2.32,-42.18,;-3.34,-31.47,;-2.02,-30.69,)|
BDBM50217681 COc1cc(O)ccc1\C=C\CN(C1CCC(CC2CCC(N)CC2)CC1)C(=O)CCCc1c[nH]c2ccccc12 |(13.67,-7.89,;14.99,-7.1,;14.96,-5.56,;13.62,-4.82,;13.59,-3.27,;12.24,-2.52,;14.91,-2.48,;16.26,-3.23,;16.27,-4.77,;17.62,-5.52,;18.94,-4.73,;20.29,-5.49,;21.61,-4.69,;21.58,-3.14,;22.92,-2.35,;22.9,-.8,;21.55,-.03,;21.53,1.51,;22.85,2.29,;24.19,1.52,;25.52,2.3,;25.51,3.85,;26.83,4.62,;24.16,4.6,;22.84,3.82,;20.21,-.83,;20.22,-2.39,;22.96,-5.45,;22.99,-7.01,;24.29,-4.66,;25.63,-5.39,;26.96,-4.62,;28.28,-5.38,;29.7,-4.71,;30.75,-5.84,;30,-7.18,;30.49,-8.63,;29.49,-9.79,;27.97,-9.49,;27.48,-8.04,;28.5,-6.88,)|
BDBM50217682 NCCN(C1CCC2(CCCCC2)CC1)C(=O)COc1ccc2ccccc2c1
BDBM50217794 NC1CCCC(C1)N(C\C(Cl)=C\c1ccccc1)C(=O)CCCc1c[nH]c2ccccc12 |w:5.7,1.0|
BDBM50217657 COc1cc(Br)c(CN([C@@H]2CC[C@H](C[C@H]3CC[C@H](N)CC3)CC2)C(=O)CCCc2c(Cc3ccc(O)cc3)[nH]c3ccccc23)cc1OC |wU:14.13,wD:9.8,12.12,17.17,(-3.88,-4.51,;-3.8,-6.14,;-2.36,-6.89,;-2.28,-8.53,;-.83,-9.28,;-.76,-10.9,;.53,-8.4,;2.01,-9.08,;3.34,-8.14,;3.26,-6.6,;1.89,-5.91,;1.82,-4.36,;3.11,-3.53,;3.04,-1.99,;4.33,-1.15,;4.35,.38,;5.7,1.12,;7.03,.33,;8.37,1.07,;6.99,-1.21,;5.65,-1.96,;4.48,-4.23,;4.56,-5.76,;4.67,-8.88,;4.7,-10.41,;5.97,-8.1,;7.29,-8.82,;8.6,-8.07,;9.89,-8.81,;11.28,-8.16,;12.04,-6.82,;13.58,-6.81,;14.36,-8.13,;15.89,-8.12,;16.66,-6.78,;18.2,-6.77,;15.87,-5.45,;14.33,-5.47,;12.36,-9.25,;11.58,-10.57,;12.06,-12,;11.07,-13.13,;9.59,-12.83,;9.1,-11.41,;10.1,-10.28,;.47,-6.77,;-.97,-6.02,;-1.04,-4.39,;-2.49,-3.63,)|
BDBM50217760 NCCCCN(Cc1ccc2ccccc2c1)C(=O)c1c[nH]c2ccccc12
BDBM50217761 CCC(N(CCCCN)C(=O)CCc1c[nH]c2ccccc12)c1ccccc1 |w:2.1|
BDBM50217762 CC(N(CCN)C(=O)Cc1c[nH]c2ccccc12)c1ccc2ccccc2c1 |w:1.0|
BDBM50217763 C\C(CN(CCCCCCN)C(=O)c1cc2cc(O)ccc2[nH]1)=C/c1ccccc1
BDBM50217764 NCCCCCN(Cc1ccccc1)C(=O)[C@@H](N)Cc1ccc2ccccc2c1
BDBM50217765 COc1ccc(CN(C2CCC(CC3CCC(N)CC3)CC2)C(=O)CCCc2c[nH]c3ccccc23)cc1Br |(6.83,-52,;6.86,-53.54,;8.2,-54.29,;9.53,-53.5,;10.87,-54.25,;10.89,-55.79,;12.24,-56.54,;13.56,-55.75,;13.53,-54.19,;14.87,-53.4,;14.85,-51.85,;13.5,-51.09,;13.48,-49.55,;14.8,-48.76,;16.14,-49.53,;17.47,-48.75,;17.46,-47.21,;18.78,-46.42,;16.11,-46.45,;14.79,-47.23,;12.16,-51.88,;12.17,-53.44,;14.91,-56.51,;14.94,-58.06,;16.24,-55.71,;17.58,-56.45,;18.91,-55.68,;20.26,-56.4,;21.66,-55.76,;22.71,-56.89,;21.95,-58.24,;22.44,-59.68,;21.44,-60.84,;19.92,-60.54,;19.43,-59.09,;20.44,-57.93,;9.58,-56.58,;8.23,-55.84,;6.91,-56.63,)|
BDBM50217766 NC1CCC(CC2CCC(CC2)N(Cc2ccccc2Cl)C(=O)CCCc2c(Cc3ccc(O)cc3)[nH]c3ccccc23)CC1 |(1.1,-44.55,;-.22,-45.33,;-.21,-46.87,;-1.54,-47.65,;-2.88,-46.88,;-4.2,-47.67,;-4.18,-49.21,;-2.83,-49.97,;-2.81,-51.52,;-4.15,-52.31,;-5.51,-51.56,;-5.52,-50,;-4.12,-53.87,;-5.44,-54.66,;-6.8,-53.91,;-6.81,-52.37,;-8.16,-51.62,;-9.48,-52.41,;-9.45,-53.96,;-8.11,-54.7,;-8.08,-56.24,;-2.77,-54.63,;-2.74,-56.18,;-1.44,-53.83,;-.1,-54.56,;1.23,-53.79,;2.56,-54.55,;3.97,-53.88,;4.73,-52.54,;6.27,-52.53,;7.05,-53.86,;8.59,-53.85,;9.35,-52.51,;10.89,-52.49,;8.56,-51.18,;7.02,-51.19,;5.02,-55.01,;4.27,-56.35,;4.76,-57.8,;3.76,-58.96,;2.25,-58.66,;1.76,-57.21,;2.77,-56.05,;-2.89,-45.35,;-1.56,-44.57,)|
BDBM50217659 Cc1ccc(CN(C2CCC(CC3CCC(N)CC3)CC2)C(=O)CCCc2c[nH]c3ccccc23)cc1 |(11.51,-19.5,;12.85,-20.25,;14.18,-19.46,;15.53,-20.21,;15.54,-21.75,;16.89,-22.5,;18.21,-21.71,;18.18,-20.16,;19.52,-19.37,;19.5,-17.81,;18.15,-17.05,;18.13,-15.51,;19.45,-14.73,;20.79,-15.49,;22.12,-14.71,;22.11,-13.17,;23.43,-12.39,;20.77,-12.42,;19.44,-13.2,;16.81,-17.84,;16.82,-19.41,;19.56,-22.47,;19.59,-24.03,;20.89,-21.68,;22.23,-22.41,;23.56,-21.64,;24.92,-22.37,;26.32,-21.73,;27.36,-22.86,;26.6,-24.2,;27.09,-25.65,;26.09,-26.8,;24.58,-26.5,;24.09,-25.05,;25.09,-23.9,;14.22,-22.54,;12.88,-21.79,)|
BDBM50217660 NCCCCCCCN(C\C(Cl)=C\c1ccccc1)C(=O)CCCc1c[nH]c2ccccc12
BDBM50217661 NCCCN(C\C=C\c1ccccc1)C(=O)CCc1c[nH]c2ccccc12
BDBM50217662 NCCCCCN(C1CCC2(CCC=CC2)CC1)C(=O)COc1ccc2ccccc2c1 |c:13,(-5.33,5.59,;-4,4.82,;-4,3.28,;-2.66,2.5,;-2.66,.94,;-4,.18,;-4,-1.37,;-5.34,-2.13,;-5.36,-3.67,;-6.69,-4.43,;-8.02,-3.65,;-9.34,-2.88,;-10.67,-3.66,;-10.67,-5.2,;-9.34,-5.96,;-8.02,-5.2,;-8.02,-2.12,;-6.67,-1.35,;-2.66,-2.15,;-2.66,-3.7,;-1.32,-1.37,;.02,-2.14,;1.35,-1.36,;1.34,.17,;2.66,.94,;4.01,.18,;5.33,.95,;6.67,.19,;6.67,-1.36,;5.34,-2.13,;4.01,-1.37,;2.68,-2.14,)|
BDBM50217663 NCCCCCN(\C=C\Cc1ccc2ccccc2c1)C(=O)CCCc1c[nH]c2ccccc12
BDBM50217664 NC(N)=NCCN(Cc1ccc2ccccc2c1)C(=O)CCCc1c[nH]c2ccccc12 |(10.65,-14.59,;12.19,-14.6,;12.96,-13.27,;12.95,-15.93,;13.03,-17.47,;14.4,-18.17,;14.49,-19.71,;13.16,-20.64,;11.75,-19.83,;10.35,-20.63,;8.95,-19.82,;8.95,-18.19,;7.56,-17.38,;7.56,-15.76,;8.97,-14.95,;10.38,-15.77,;10.37,-17.39,;11.77,-18.2,;15.81,-20.45,;15.84,-21.97,;17.14,-19.66,;18.48,-20.41,;19.8,-19.62,;21.14,-20.36,;21.04,-21.9,;22.46,-22.47,;23.45,-21.29,;24.97,-21.23,;25.69,-19.88,;24.87,-18.58,;23.34,-18.64,;22.63,-19.99,)|
BDBM50217665 N[C@H]1CC[C@@H](CC1)NC(=O)N[C@H]1CC[C@@H](CC1)N(Cc1ccccc1)C(=O)CCCc1c[nH]c2ccccc12 |wU:11.11,4.7,wD:14.18,1.0,(9.15,-8.14,;7.81,-8.9,;6.48,-8.11,;5.14,-8.87,;5.13,-10.41,;6.46,-11.19,;7.79,-10.44,;3.79,-11.17,;2.47,-10.39,;2.48,-8.85,;1.13,-11.15,;1.12,-12.69,;2.44,-13.47,;2.44,-15.01,;1.1,-15.77,;-.24,-15,;-.22,-13.45,;1.09,-17.31,;-.23,-18.07,;-1.56,-17.29,;-1.54,-15.76,;-2.86,-14.99,;-4.19,-15.75,;-4.2,-17.29,;-2.87,-18.06,;2.43,-18.09,;2.42,-19.63,;3.76,-17.32,;5.09,-18.09,;6.43,-17.33,;7.76,-18.1,;9.02,-17.2,;10.27,-18.12,;9.77,-19.59,;10.54,-20.92,;9.76,-22.25,;8.21,-22.24,;7.46,-20.9,;8.23,-19.58,)|
BDBM50217666 NC1CCCC(C1)NC(=O)NC1CCCC(C1)N(Cc1ccccc1)C(=O)CCCc1c(Cc2ccc(O)cc2)[nH]c2ccccc12
BDBM50217667 NCCCCN(Cc1ccccc1)C(=O)CCCc1c[nH]c2ccccc12
BDBM50217683 C\C(CN(CCCCCN)C(=O)\C=C\c1c[nH]c2ccccc12)=C\c1ccccc1
BDBM50217705 NC1CCC(CC2CCC(CC2)N(Cc2ccc(cc2)C#N)C(=O)CCCc2c(Cc3ccc(O)cc3)[nH]c3ccccc23)CC1 |(42.09,-14.04,;40.77,-14.81,;40.78,-16.35,;39.45,-17.14,;38.11,-16.37,;36.79,-17.15,;36.81,-18.69,;38.16,-19.46,;38.18,-21.01,;36.84,-21.8,;35.48,-21.05,;35.47,-19.49,;36.87,-23.35,;35.55,-24.14,;34.2,-23.4,;34.27,-21.86,;32.97,-21.04,;31.6,-21.75,;31.55,-23.3,;32.85,-24.11,;30.3,-20.93,;29,-20.11,;38.22,-24.11,;38.25,-25.67,;39.55,-23.32,;40.89,-24.05,;42.22,-23.28,;43.54,-24.04,;44.96,-23.37,;45.72,-22.03,;47.26,-22.02,;48.04,-23.35,;49.57,-23.34,;50.34,-22,;51.88,-21.98,;49.55,-20.66,;48.01,-20.68,;46.01,-24.5,;45.26,-25.84,;45.75,-27.29,;44.75,-28.45,;43.23,-28.14,;42.75,-26.69,;43.76,-25.54,;38.1,-14.84,;39.42,-14.06,)|
BDBM50217706 NCCCCN(Cc1ccccc1)C(=O)CCCc1c(Cc2ccc(O)cc2)[nH]c2ccccc12
BDBM50217707 NCCCCCN(C\C=C/c1ccccc1)C(=O)CCCc1c[nH]c2ccccc12
BDBM50217767 NCCCCN(Cc1ccc2ccccc2c1)C(=O)Cc1c[nH]c2ccccc12
BDBM50217768 NCCCN(C1CCc2ccccc2C1)C(=O)c1c[nH]c2ccccc12 |w:5.4|
BDBM50217769 Cc1cccc(CN(C2CCC(CC3CCC(N)CC3)CC2)C(=O)CCCc2c(Cc3ccc(O)cc3)[nH]c3ccccc23)c1 |(6.6,-5.03,;7.92,-4.24,;7.9,-2.69,;9.22,-1.9,;10.57,-2.65,;10.59,-4.2,;11.93,-4.95,;13.25,-4.16,;13.23,-2.6,;14.57,-1.81,;14.55,-.26,;13.19,.5,;13.18,2.04,;14.5,2.83,;15.84,2.06,;17.16,2.84,;17.15,4.38,;18.48,5.15,;15.81,5.14,;14.48,4.36,;11.86,-.29,;11.86,-1.85,;14.61,-4.92,;14.63,-6.47,;15.94,-4.12,;17.27,-4.86,;18.61,-4.09,;19.93,-4.85,;21.35,-4.18,;22.07,-2.82,;23.61,-2.82,;24.37,-4.16,;25.91,-4.16,;26.69,-2.83,;28.22,-2.83,;25.91,-1.49,;24.37,-1.49,;22.4,-5.3,;21.65,-6.65,;22.14,-8.09,;21.14,-9.25,;19.62,-8.95,;19.13,-7.5,;20.14,-6.34,;9.27,-4.98,)|
BDBM50217684 NCC1CCCC(CN(C\C(Cl)=C\c2ccccc2)C(=O)CCCc2c[nH]c3ccccc23)C1 |w:6.6,2.1|
BDBM50217685 NC1CCCC(C1)NC(=O)NC1CCCC(C1)N(Cc1ccccc1)C(=O)CCCc1c[nH]c2ccccc12
BDBM50217686 NC1CCC(CC2CCC(CC2)N(Cc2ccc(cc2)C#N)C(=O)CCCc2c[nH]c3ccccc23)CC1 |(23.5,-13.29,;22.17,-14.06,;22.18,-15.6,;20.86,-16.39,;19.51,-15.62,;18.19,-16.4,;18.21,-17.94,;19.56,-18.71,;19.58,-20.26,;18.24,-21.05,;16.88,-20.3,;16.87,-18.74,;18.27,-22.61,;16.95,-23.4,;15.6,-22.65,;15.67,-21.11,;14.37,-20.29,;13,-21,;12.95,-22.55,;14.25,-23.37,;11.7,-20.18,;10.4,-19.36,;19.62,-23.37,;19.65,-24.92,;20.95,-22.57,;22.29,-23.3,;23.63,-22.53,;24.95,-23.29,;26.36,-22.62,;27.42,-23.75,;26.67,-25.1,;27.16,-26.54,;26.16,-27.7,;24.64,-27.4,;24.15,-25.95,;25.16,-24.79,;19.5,-14.09,;20.83,-13.31,)|
BDBM50217687 COc1ccc(CN(C2CCC(CC3CCC(N)CC3)CC2)C(=O)CCCc2c(Cc3ccc(O)cc3)[nH]c3ccccc23)cc1Br |(22.87,-50.12,;22.89,-51.66,;24.24,-52.41,;25.56,-51.62,;26.91,-52.36,;26.93,-53.91,;28.27,-54.66,;29.59,-53.87,;29.57,-52.31,;30.91,-51.52,;30.89,-49.97,;29.53,-49.21,;29.52,-47.67,;30.84,-46.88,;32.18,-47.65,;33.51,-46.87,;33.49,-45.33,;34.82,-44.55,;32.15,-44.57,;30.83,-45.35,;28.2,-50,;28.21,-51.56,;30.95,-54.63,;30.97,-56.18,;32.28,-53.83,;33.61,-54.56,;34.95,-53.79,;36.27,-54.55,;37.69,-53.88,;38.45,-52.54,;39.99,-52.53,;40.76,-53.86,;42.3,-53.85,;43.06,-52.51,;44.6,-52.49,;42.27,-51.18,;40.74,-51.19,;38.74,-55.01,;37.99,-56.35,;38.48,-57.8,;37.48,-58.96,;35.96,-58.66,;35.47,-57.21,;36.48,-56.05,;25.62,-54.7,;24.27,-53.96,;22.95,-54.75,)|
BDBM50217688 NCCCCCN(Cc1ccccc1)C(=O)[C@H](N)Cc1ccc(cc1)-c1ccccc1
BDBM50217689 NCCCCN(C\C=C\c1ccccc1)C(=O)CCc1c[nH]c2ccccc12
BDBM50217690 NC1CCC(CC2CCC(CC2)N(C\C(Cl)=C\c2ccccc2)C(=O)c2cc3cc(OCc4ccccc4)ccc3[nH]2)CC1 |(15.07,2.38,;13.75,1.6,;13.76,.07,;12.44,-.71,;11.1,.05,;9.78,-.73,;9.8,-2.26,;11.15,-3.03,;11.17,-4.57,;9.83,-5.36,;8.48,-4.61,;8.47,-3.05,;9.86,-6.91,;8.5,-7.87,;7,-7.18,;6.99,-5.51,;5.64,-8.14,;4.17,-7.37,;4.11,-5.71,;2.64,-4.95,;1.24,-5.84,;1.31,-7.5,;2.78,-8.26,;11.21,-7.67,;11.23,-9.22,;12.53,-6.87,;13.45,-8.13,;14.88,-7.64,;16.2,-8.42,;17.53,-7.66,;18.85,-8.44,;18.84,-9.98,;20.16,-10.76,;20.15,-12.29,;21.47,-13.07,;22.81,-12.31,;22.81,-10.77,;21.49,-10,;17.54,-6.12,;16.22,-5.36,;14.89,-6.11,;13.43,-5.62,;11.09,1.58,;12.41,2.35,)|
BDBM50217691 C\C(CN(CCCN)C(=O)Cc1c[nH]c2ccccc12)=C/c1ccccc1
BDBM50217692 NCCN(Cc1ccccc1)C(=O)CCCc1c[nH]c2ccccc12
BDBM50217693 NCCCCCN(Cc1ccccc1)C(=O)[C@@H](N)Cc1c[nH]c2ccccc12
BDBM50217694 C\C(CN(CCCN)C(=O)CCCc1cccs1)=C/c1ccccc1
BDBM50217695 NCCCN(CCCc1ccccc1)C(=O)Cc1c[nH]c2ccccc12
BDBM50217708 NC1CCC(CC2CCC(CC2)N(CCc2c(F)cccc2Cl)C(=O)CCCc2c[nH]c3ccccc23)CC1 |(40.94,4.39,;39.61,3.61,;39.63,2.07,;38.3,1.29,;36.96,2.06,;35.64,1.27,;35.66,-.27,;37.01,-1.03,;37.03,-2.58,;35.69,-3.37,;34.33,-2.62,;34.32,-1.06,;35.71,-4.93,;34.39,-5.72,;34.42,-7.26,;33.1,-8.05,;31.76,-7.3,;31.74,-5.76,;30.44,-8.09,;30.46,-9.63,;31.82,-10.38,;33.13,-9.58,;34.48,-10.32,;37.07,-5.69,;37.09,-7.24,;38.4,-4.89,;39.74,-5.63,;41.07,-4.86,;42.39,-5.62,;43.81,-4.95,;44.86,-6.07,;44.11,-7.42,;44.6,-8.86,;43.6,-10.02,;42.08,-9.72,;41.59,-8.27,;42.61,-7.11,;36.95,3.59,;38.27,4.37,)|
BDBM50217709 NCCCCCN(C\C(Cl)=C/c1ccccc1)C(=O)CCCc1c[nH]c2ccccc12
BDBM50217732 NC(N)=NCCCCN(Cc1ccc2ccccc2c1)C(=O)CCCc1c[nH]c2ccccc12 |(10.89,-42.06,;12.43,-42.07,;13.21,-40.74,;13.2,-43.4,;13.28,-44.94,;11.99,-45.78,;12.07,-47.32,;13.44,-48.01,;13.52,-49.55,;12.2,-50.49,;10.79,-49.67,;9.39,-50.48,;7.99,-49.67,;7.99,-48.03,;6.59,-47.22,;6.59,-45.6,;8.01,-44.79,;9.41,-45.61,;9.4,-47.23,;10.78,-48.15,;14.85,-50.29,;14.88,-51.82,;16.17,-49.5,;17.51,-50.25,;18.84,-49.47,;20.17,-50.2,;20.08,-51.74,;21.5,-52.31,;22.48,-51.13,;24.01,-51.07,;24.73,-49.72,;23.9,-48.42,;22.38,-48.48,;21.67,-49.83,)|
BDBM50217669 NCCCCCN(Cc1ccccc1)C(=O)CCCc1c[nH]c2ccccc12
BDBM50217710 NCCCN(Cc1ccccc1)C(=O)CCCc1c[nH]c2ccccc12
BDBM50217733 NCCCCCN(Cc1ccccc1)C(=O)CCCc1c(Cc2ccc(O)cc2)[nH]c2ccccc12
BDBM50217734 NCCCCCN(C1CCCCCC1)C(=O)Cc1c[nH]c2ccccc12
BDBM50217770 NC1CCC(CC2CCC(CC2)N(Cc2ccccn2)C(=O)CCCc2c[nH]c3ccccc23)CC1 |(-.44,-44.44,;-1.76,-45.23,;-1.75,-46.77,;-3.08,-47.55,;-4.42,-46.78,;-5.74,-47.57,;-5.72,-49.11,;-4.37,-49.87,;-4.35,-51.42,;-5.69,-52.21,;-7.05,-51.46,;-7.06,-49.9,;-5.66,-53.77,;-6.98,-54.56,;-8.33,-53.81,;-8.35,-52.27,;-9.69,-51.52,;-11.02,-52.31,;-10.99,-53.86,;-9.64,-54.6,;-4.31,-54.52,;-4.28,-56.08,;-2.98,-53.73,;-1.64,-54.46,;-.31,-53.69,;1.05,-54.42,;2.45,-53.78,;3.49,-54.91,;2.73,-56.25,;3.22,-57.7,;2.22,-58.86,;.71,-58.56,;.22,-57.11,;1.22,-55.95,;-4.43,-45.25,;-3.1,-44.47,)|
BDBM50217771 NCCCN(C1CCc2ccccc2C1)C(=O)CCc1c[nH]c2ccccc12 |w:5.4|
BDBM50217772 NCCCCCN(CCc1ccc2ccccc2c1)C(=O)Cc1c[nH]c2ccccc12
BDBM50217773 NCCN(C1CCC2(CCCCC2)CC1)C(=O)CCCc1c[nH]c2ccccc12
BDBM50217774 CCCCCN(Cc1ccc(cc1)N(CC)CC)C(=O)CCCc1c[nH]c2ccccc12
BDBM50217775 NC1CCC(CC2CCC(CC2)N(Cc2c(F)cccc2F)C(=O)CCCc2c(Cc3ccc(O)cc3)[nH]c3ccccc23)CC1 |(-.63,5.55,;-1.96,4.77,;-1.94,3.23,;-3.27,2.45,;-4.61,3.22,;-5.93,2.43,;-5.92,.89,;-4.56,.13,;-4.54,-1.42,;-5.88,-2.21,;-7.25,-1.46,;-7.25,.1,;-5.86,-3.77,;-7.22,-4.73,;-7.19,-7.49,;-8.51,-8.28,;-9.86,-7.53,;-8.49,-9.82,;-7.13,-10.57,;-5.82,-9.78,;-5.85,-8.24,;-4.53,-7.45,;-4.5,-4.53,;-4.48,-6.08,;-3.17,-3.73,;-1.84,-4.47,;-.5,-3.7,;.82,-4.46,;2.24,-3.79,;3,-2.45,;4.54,-2.43,;5.31,-3.76,;6.85,-3.75,;7.61,-2.41,;9.15,-2.4,;6.82,-1.08,;5.29,-1.1,;3.29,-4.91,;2.54,-6.26,;3.03,-7.7,;2.03,-8.86,;.51,-8.56,;.02,-7.11,;1.03,-5.95,;-4.63,4.75,;-3.3,5.53,)|
BDBM50217711 Cc1cccc(CN(C2CCC(CC3CCC(N)CC3)CC2)C(=O)CCCc2c[nH]c3ccccc23)c1 |(-10.54,-4.79,;-9.23,-4,;-9.25,-2.45,;-7.93,-1.66,;-6.58,-2.42,;-6.56,-3.96,;-5.22,-4.71,;-3.9,-3.92,;-3.92,-2.36,;-2.58,-1.57,;-2.6,-.02,;-3.96,.74,;-3.97,2.28,;-2.65,3.07,;-1.31,2.3,;.02,3.08,;0,4.62,;1.33,5.41,;-1.34,5.38,;-2.67,4.6,;-5.29,-.05,;-5.29,-1.61,;-2.54,-4.68,;-2.52,-6.23,;-1.21,-3.88,;.12,-4.61,;1.46,-3.84,;2.81,-4.57,;4.21,-3.93,;5.25,-5.06,;4.5,-6.41,;4.99,-7.85,;3.99,-9.01,;2.47,-8.71,;1.98,-7.26,;2.99,-6.1,;-7.88,-4.74,)|
BDBM50217712 NCCCCCN(C\C(Cl)=C/c1ccccc1)C(=O)\C=C\c1c[nH]c2ccccc12
BDBM50217735 COc1cc(Br)c(\C=C\CN(C2CCC(CC3CCC(N)CC3)CC2)C(=O)CCCc2c(Cc3ccc(O)cc3)[nH]c3ccccc23)cc1OC |(15.88,-19.42,;15.9,-20.96,;17.24,-21.71,;17.27,-23.26,;18.62,-24,;18.64,-25.54,;19.93,-23.21,;21.27,-23.96,;22.6,-23.18,;23.94,-23.93,;25.26,-23.14,;25.23,-21.58,;26.58,-20.79,;26.56,-19.24,;25.2,-18.48,;25.18,-16.94,;26.51,-16.15,;27.85,-16.92,;29.17,-16.14,;29.16,-14.6,;30.49,-13.82,;27.82,-13.84,;26.49,-14.62,;23.87,-19.27,;23.87,-20.83,;26.61,-23.9,;26.64,-25.45,;27.94,-23.1,;29.28,-23.83,;30.62,-23.06,;31.94,-23.82,;33.35,-23.15,;34.12,-21.81,;35.66,-21.8,;36.43,-23.13,;37.97,-23.12,;38.73,-21.78,;40.27,-21.76,;37.94,-20.45,;36.41,-20.46,;34.41,-24.28,;33.66,-25.62,;34.15,-27.07,;33.15,-28.23,;31.63,-27.93,;31.14,-26.48,;32.15,-25.32,;19.91,-21.67,;18.57,-20.92,;18.55,-19.38,;19.87,-18.59,)|
BDBM50217736 NC1CCCC(C1)N(Cc1ccccc1)C(=O)CCCc1c[nH]c2ccccc12 |w:1.0,5.7|
BDBM50217737 NC(N)=NCCCN(Cc1ccc2ccccc2c1)C(=O)CCc1c[nH]c2ccccc12 |(-5.99,-28.17,;-4.45,-28.18,;-3.68,-26.85,;-3.69,-29.52,;-4.98,-30.35,;-4.9,-31.89,;-3.53,-32.58,;-3.45,-34.12,;-4.78,-35.06,;-6.18,-34.24,;-7.58,-35.05,;-8.99,-34.24,;-8.99,-32.61,;-10.38,-31.79,;-10.38,-30.17,;-8.96,-29.36,;-7.56,-30.18,;-7.57,-31.8,;-6.19,-32.72,;-2.12,-34.87,;-2.09,-36.39,;-.8,-34.08,;.55,-34.82,;1.89,-34.08,;2.46,-35.51,;3.99,-35.42,;4.37,-33.92,;5.73,-33.22,;5.8,-31.68,;4.5,-30.86,;3.15,-31.57,;3.08,-33.1,)|
BDBM50252892 CC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](Cc1ccc(N)cc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O |r,wU:4.3,14.14,26.27,wD:37.38,(-9.08,-14.73,;-7.74,-13.96,;-7.74,-12.42,;-6.41,-14.74,;-5.07,-13.96,;-5.07,-12.42,;-3.74,-11.65,;-2.33,-12.28,;-1.31,-11.15,;-2.07,-9.8,;-3.57,-10.12,;-3.74,-14.74,;-3.74,-16.27,;-2.41,-13.97,;-1.07,-14.74,;-1.07,-16.28,;.25,-17.05,;1.59,-16.28,;2.93,-17.05,;2.92,-18.59,;4.25,-19.37,;1.58,-19.36,;.24,-18.58,;.25,-13.97,;.25,-12.43,;1.6,-14.74,;2.93,-13.97,;2.93,-12.43,;4.26,-11.66,;4.26,-10.12,;5.6,-9.35,;5.6,-7.81,;4.26,-7.05,;6.93,-7.04,;4.26,-14.75,;4.26,-16.29,;5.59,-13.97,;6.93,-14.74,;6.93,-16.28,;8.26,-17.06,;9.67,-16.43,;10.69,-17.58,;9.92,-18.91,;10.39,-20.39,;9.36,-21.53,;7.86,-21.2,;7.38,-19.74,;8.42,-18.59,;8.26,-13.98,;9.59,-14.75,;8.26,-12.44,)|
BDBM50252894 CC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](Cc1ccc(cc1)C(C)(C)C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O |r,wU:4.3,14.14,29.30,wD:40.41,(-9.83,-42.4,;-8.51,-41.63,;-8.5,-40.1,;-7.18,-42.4,;-5.85,-41.63,;-5.85,-40.09,;-4.51,-39.32,;-3.1,-39.95,;-2.08,-38.81,;-2.84,-37.47,;-4.35,-37.78,;-4.51,-42.41,;-4.51,-43.94,;-3.18,-41.63,;-1.84,-42.41,;-1.84,-43.94,;-.52,-44.71,;-.52,-46.25,;.82,-47.02,;2.15,-46.26,;2.15,-44.72,;.82,-43.95,;3.48,-47.04,;4.8,-47.8,;2.71,-48.37,;4.27,-45.71,;-.52,-41.64,;-.52,-40.1,;.83,-42.41,;2.16,-41.64,;2.16,-40.09,;3.49,-39.32,;3.49,-37.79,;4.83,-37.02,;4.83,-35.48,;3.49,-34.72,;6.16,-34.71,;3.49,-42.41,;3.49,-43.95,;4.82,-41.64,;6.16,-42.41,;6.16,-43.95,;7.49,-44.72,;8.9,-44.1,;9.92,-45.24,;9.15,-46.58,;9.62,-48.05,;8.59,-49.19,;7.08,-48.87,;6.61,-47.4,;7.65,-46.26,;7.49,-41.65,;8.82,-42.42,;7.49,-40.11,)|
BDBM50252895 CC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](Cc1ccc(Cc2ccccc2)cc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O |r,wU:14.14,32.34,4.3,wD:43.45,(18.98,-39.67,;18.98,-41.21,;17.64,-41.98,;20.31,-41.98,;21.64,-41.22,;21.64,-39.67,;22.97,-38.9,;24.38,-39.53,;25.41,-38.39,;24.64,-37.05,;23.14,-37.37,;22.98,-41.99,;22.98,-43.52,;24.31,-41.22,;25.64,-41.98,;25.64,-43.52,;26.98,-44.29,;26.97,-45.83,;28.31,-46.6,;29.64,-45.84,;30.98,-46.6,;30.98,-48.14,;29.65,-48.91,;29.65,-50.45,;30.99,-51.22,;32.32,-50.44,;32.31,-48.9,;29.64,-44.3,;28.31,-43.52,;26.98,-41.21,;26.98,-39.67,;28.31,-41.98,;29.64,-41.21,;29.64,-39.67,;30.98,-38.91,;30.98,-37.37,;32.31,-36.59,;32.31,-35.06,;30.97,-34.3,;33.65,-34.29,;30.98,-41.98,;30.98,-43.53,;32.3,-41.22,;33.64,-41.99,;33.64,-43.54,;34.98,-44.3,;36.38,-43.67,;37.41,-44.83,;36.64,-46.16,;37.11,-47.62,;36.08,-48.77,;34.58,-48.45,;34.1,-46.98,;35.13,-45.83,;34.98,-41.22,;36.31,-42,;34.98,-39.69,)|
BDBM50252896 CC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](Cc1ccc(cc1)C#N)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O |r,wU:4.3,14.14,27.28,wD:38.39,(-9.52,-5.84,;-9.53,-7.38,;-10.86,-8.14,;-8.2,-8.15,;-6.87,-7.38,;-6.87,-5.83,;-5.53,-5.06,;-4.12,-5.7,;-3.09,-4.56,;-3.86,-3.22,;-5.37,-3.53,;-5.54,-8.15,;-5.54,-9.69,;-4.2,-7.38,;-2.87,-8.15,;-2.87,-9.69,;-1.54,-10.46,;-1.54,-12,;-.21,-12.77,;1.13,-12.01,;1.13,-10.46,;-.2,-9.69,;2.46,-12.77,;3.79,-13.54,;-1.53,-7.38,;-1.53,-5.85,;-.2,-8.15,;1.13,-7.38,;1.13,-5.84,;2.47,-5.07,;2.47,-3.53,;3.81,-2.76,;3.81,-1.23,;2.47,-.46,;5.15,-.46,;2.47,-8.16,;2.47,-9.7,;3.8,-7.39,;5.14,-8.16,;5.14,-9.7,;6.47,-10.47,;7.88,-9.85,;8.9,-10.99,;8.13,-12.33,;8.61,-13.8,;7.57,-14.94,;6.07,-14.62,;5.59,-13.15,;6.62,-12.01,;6.47,-7.39,;7.81,-8.16,;6.47,-5.85,)|
BDBM50252903 CC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](Cc1ccc(Cl)c(Cl)c1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O |r,wU:4.3,14.14,27.28,wD:38.39,(3.65,-11.03,;3.65,-12.58,;2.34,-13.34,;4.99,-13.35,;6.32,-12.59,;6.32,-11.04,;7.66,-10.26,;9.06,-10.9,;10.1,-9.75,;9.33,-8.42,;7.82,-8.73,;7.66,-13.35,;7.66,-14.89,;8.99,-12.59,;10.33,-13.35,;10.33,-14.89,;11.66,-15.66,;13,-14.89,;14.33,-15.67,;14.32,-17.21,;15.65,-17.98,;12.99,-17.97,;12.99,-19.51,;11.66,-17.2,;11.66,-12.58,;11.66,-11.04,;12.99,-13.34,;14.33,-12.59,;14.33,-11.05,;15.66,-10.27,;15.66,-8.73,;17,-7.97,;17,-6.43,;15.67,-5.65,;18.34,-5.65,;15.66,-13.35,;15.66,-14.9,;17,-12.58,;18.34,-13.36,;18.34,-14.9,;19.66,-15.67,;21.08,-15.04,;22.09,-16.19,;21.34,-17.53,;21.8,-18.99,;20.77,-20.15,;19.27,-19.82,;18.79,-18.36,;19.83,-17.2,;19.66,-12.59,;21,-13.36,;19.66,-11.05,)|
BDBM50252904 CC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](Cc1cccc(Cl)c1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O |r,wU:4.3,14.14,26.27,wD:37.38,(16.09,-4.44,;16.09,-5.98,;14.77,-6.74,;17.43,-6.75,;18.76,-5.99,;18.76,-4.44,;20.1,-3.67,;21.5,-4.3,;22.54,-3.16,;21.77,-1.82,;20.26,-2.14,;20.1,-6.75,;20.1,-8.29,;21.43,-5.99,;22.76,-6.75,;22.76,-8.29,;24.09,-9.07,;25.44,-8.29,;26.76,-9.07,;26.76,-10.61,;25.43,-11.37,;25.43,-12.9,;24.1,-10.6,;24.1,-5.99,;24.1,-4.44,;25.43,-6.75,;26.76,-5.99,;26.76,-4.45,;28.09,-3.67,;28.09,-2.14,;29.43,-1.37,;29.43,.16,;28.1,.94,;30.77,.94,;28.09,-6.75,;28.09,-8.3,;29.43,-5.99,;30.77,-6.76,;30.77,-8.3,;32.1,-9.08,;33.51,-8.45,;34.53,-9.6,;33.77,-10.93,;34.23,-12.4,;33.21,-13.54,;31.7,-13.22,;31.22,-11.75,;32.26,-10.61,;32.1,-6,;33.44,-6.76,;32.1,-4.46,)|
BDBM50252893 CC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](Cc1ccc(C)cc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O |r,wU:4.3,14.14,26.27,wD:37.38,(21.31,-12.53,;21.31,-14.07,;19.98,-14.83,;22.64,-14.84,;23.97,-14.07,;23.97,-12.52,;25.31,-11.75,;26.72,-12.38,;27.75,-11.24,;26.99,-9.9,;25.47,-10.22,;25.3,-14.84,;25.3,-16.38,;26.64,-14.07,;27.98,-14.84,;27.98,-16.38,;29.31,-17.15,;30.64,-16.38,;31.98,-17.15,;31.98,-18.7,;33.31,-19.48,;30.64,-19.46,;29.3,-18.69,;29.31,-14.07,;29.31,-12.54,;30.65,-14.85,;31.99,-14.07,;31.99,-12.53,;33.32,-11.75,;33.32,-10.22,;34.66,-9.44,;34.66,-7.91,;33.32,-7.14,;36,-7.14,;33.32,-14.85,;33.32,-16.39,;34.66,-14.07,;35.99,-14.85,;35.99,-16.39,;37.32,-17.16,;38.73,-16.54,;39.75,-17.68,;38.98,-19.02,;39.45,-20.49,;38.42,-21.63,;36.92,-21.32,;36.45,-19.84,;37.48,-18.7,;37.32,-14.07,;38.66,-14.85,;37.32,-12.54,)|
BDBM50252897 CC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](Cc1ccc(cc1)[N+]([O-])=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O |r,wU:14.14,28.29,4.3,wD:39.40,(17.99,-6.74,;17.98,-8.28,;16.65,-9.04,;19.31,-9.05,;20.64,-8.28,;20.64,-6.74,;21.98,-5.97,;23.38,-6.6,;24.42,-5.46,;23.65,-4.12,;22.14,-4.44,;21.97,-9.05,;21.97,-10.59,;23.31,-8.29,;24.64,-9.05,;24.64,-10.59,;25.97,-11.37,;25.97,-12.91,;27.3,-13.68,;28.64,-12.91,;28.64,-11.37,;27.31,-10.6,;29.98,-13.68,;29.97,-15.21,;31.31,-12.91,;25.97,-8.29,;25.97,-6.75,;27.31,-9.06,;28.64,-8.28,;28.64,-6.75,;29.98,-5.98,;29.98,-4.44,;31.31,-3.67,;31.31,-2.13,;29.98,-1.37,;32.66,-1.36,;29.98,-9.06,;29.98,-10.6,;31.3,-8.29,;32.65,-9.06,;32.65,-10.6,;33.98,-11.37,;35.38,-10.75,;36.41,-11.89,;35.64,-13.23,;36.11,-14.7,;35.08,-15.84,;33.58,-15.52,;33.1,-14.05,;34.13,-12.91,;33.98,-8.29,;35.31,-9.06,;33.98,-6.76,)|
BDBM50252898 CC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](Cc1ccc(F)cc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O |r,wU:4.3,14.14,26.27,wD:37.38,(-9.03,-31.03,;-9.03,-32.57,;-10.36,-33.34,;-7.69,-33.35,;-6.36,-32.58,;-6.36,-31.03,;-5.02,-30.26,;-3.62,-30.89,;-2.58,-29.75,;-3.35,-28.41,;-4.86,-28.73,;-5.02,-33.35,;-5.02,-34.89,;-3.69,-32.58,;-2.36,-33.35,;-2.36,-34.88,;-1.03,-35.66,;.31,-34.89,;1.65,-35.66,;1.64,-37.2,;2.97,-37.97,;.31,-37.97,;-1.02,-37.2,;-1.03,-32.58,;-1.03,-31.04,;.31,-33.34,;1.65,-32.58,;1.65,-31.04,;2.98,-30.27,;2.98,-28.73,;4.32,-27.96,;4.32,-26.43,;2.99,-25.66,;5.66,-25.65,;2.98,-33.35,;2.98,-34.9,;4.32,-32.58,;5.65,-33.35,;5.65,-34.9,;6.98,-35.67,;8.39,-35.04,;9.42,-36.19,;8.65,-37.52,;9.12,-38.99,;8.09,-40.13,;6.58,-39.81,;6.11,-38.34,;7.14,-37.2,;6.98,-32.59,;8.32,-33.36,;6.98,-31.05,)|
BDBM50252899 CC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](Cc1ccc(Cl)cc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O |r,wU:4.3,14.14,26.27,wD:37.38,(16.37,-31.04,;16.37,-32.58,;15.05,-33.35,;17.71,-33.36,;19.04,-32.59,;19.04,-31.04,;20.38,-30.27,;21.79,-30.9,;22.82,-29.76,;22.05,-28.42,;20.54,-28.74,;20.38,-33.36,;20.38,-34.9,;21.71,-32.59,;23.05,-33.36,;23.05,-34.89,;24.37,-35.67,;25.72,-34.9,;27.05,-35.67,;27.04,-37.21,;28.38,-37.99,;25.71,-37.98,;24.38,-37.21,;24.38,-32.59,;24.38,-31.05,;25.71,-33.35,;27.05,-32.59,;27.05,-31.05,;28.38,-30.28,;28.38,-28.74,;29.72,-27.97,;29.72,-26.44,;28.39,-25.67,;31.06,-25.66,;28.38,-33.36,;28.38,-34.91,;29.72,-32.59,;31.06,-33.36,;31.06,-34.91,;32.38,-35.68,;33.8,-35.05,;34.82,-36.2,;34.05,-37.53,;34.52,-39,;33.49,-40.15,;31.98,-39.82,;31.51,-38.36,;32.54,-37.21,;32.38,-32.6,;33.72,-33.37,;32.38,-31.06,)|
BDBM50252900 CC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](Cc1ccc(Br)cc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O |r,wU:4.3,14.14,26.27,wD:37.38,(-7.46,-7.95,;-7.46,-9.5,;-8.78,-10.26,;-6.12,-10.26,;-4.79,-9.5,;-4.79,-7.96,;-3.45,-7.18,;-2.05,-7.82,;-1.01,-6.67,;-1.78,-5.34,;-3.29,-5.65,;-3.46,-10.27,;-3.46,-11.8,;-2.12,-9.5,;-.79,-10.27,;-.79,-11.8,;.54,-12.58,;1.89,-11.81,;3.21,-12.58,;3.21,-14.13,;4.54,-14.89,;1.88,-14.89,;.55,-14.12,;.55,-9.5,;.55,-7.96,;1.88,-10.26,;3.21,-9.5,;3.21,-7.96,;4.54,-7.19,;4.54,-5.65,;5.88,-4.88,;5.88,-3.35,;4.55,-2.58,;7.22,-2.57,;4.54,-10.27,;4.54,-11.81,;5.88,-9.5,;7.22,-10.27,;7.22,-11.82,;8.55,-12.59,;9.96,-11.96,;10.98,-13.11,;10.22,-14.44,;10.68,-15.91,;9.66,-17.06,;8.15,-16.73,;7.67,-15.27,;8.71,-14.12,;8.55,-9.51,;9.89,-10.28,;8.55,-7.98,)|
BDBM50252901 CC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](Cc1ccc(cc1)C(F)(F)F)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O |r,wU:4.3,14.14,29.30,wD:40.41,(-8.35,-34.02,;-8.35,-35.57,;-9.68,-36.33,;-7.02,-36.34,;-5.68,-35.57,;-5.68,-34.03,;-4.35,-33.25,;-2.94,-33.89,;-1.9,-32.74,;-2.67,-31.41,;-4.18,-31.72,;-4.35,-36.34,;-4.35,-37.88,;-3.01,-35.57,;-1.68,-36.34,;-1.68,-37.88,;-.35,-38.66,;-.35,-40.19,;.99,-40.96,;2.31,-40.2,;2.32,-38.66,;.99,-37.88,;3.65,-40.97,;4.97,-41.74,;2.88,-42.3,;4.43,-39.64,;-.35,-35.58,;-.35,-34.03,;.99,-36.34,;2.32,-35.57,;2.32,-34.04,;3.65,-33.26,;3.65,-31.73,;4.99,-30.96,;4.99,-29.42,;3.66,-28.65,;6.33,-28.65,;3.65,-36.34,;3.65,-37.89,;4.99,-35.58,;6.33,-36.35,;6.33,-37.89,;7.66,-38.66,;9.07,-38.03,;10.09,-39.18,;9.32,-40.52,;9.79,-41.98,;8.77,-43.13,;7.26,-42.81,;6.78,-41.34,;7.82,-40.2,;7.66,-35.58,;9,-36.35,;7.66,-34.05,)|
BDBM50252902 CC(=O)N[C@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc2ccccc2c1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O |r,wU:4.3,29.31,wD:14.14,40.42,(4.17,-10.81,;2.84,-10.04,;2.84,-8.5,;1.5,-10.81,;1.5,-12.35,;.17,-13.12,;-1.16,-12.35,;-1.31,-10.85,;-2.79,-10.52,;-3.53,-11.84,;-2.51,-12.96,;2.84,-13.12,;2.84,-14.66,;4.17,-12.35,;5.5,-13.12,;5.5,-14.66,;6.83,-15.42,;8.16,-14.65,;9.48,-15.41,;9.48,-16.95,;10.82,-17.73,;10.82,-19.27,;9.46,-20.04,;8.14,-19.26,;8.14,-17.72,;6.82,-16.95,;6.83,-12.35,;6.83,-10.81,;8.17,-13.1,;9.51,-12.34,;9.51,-10.8,;10.84,-10.03,;10.84,-8.49,;12.17,-7.72,;12.17,-6.18,;10.85,-5.4,;13.5,-5.41,;10.84,-13.1,;10.84,-14.64,;12.17,-12.33,;13.5,-13.11,;13.5,-14.65,;14.84,-15.42,;16.27,-14.7,;17.32,-15.82,;16.59,-17.17,;17.09,-18.64,;16.08,-19.79,;14.56,-19.51,;14.06,-18.04,;15.07,-16.88,;14.84,-12.34,;16.17,-13.11,;14.84,-10.8,)|
BDBM50141021 C[C@@H](O)[C@H](NC(=O)[C@H]1CSSC(C)(C)[C@H](NC(=O)[C@H](N)Cc2ccccc2)C(=O)N[C@@H](Cc2c[nH]cn2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CCCN)C(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)N1)C(N)=O
BDBM50027084 CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCC[C@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2cnc[nH]2)NC1=O)C(N)=O |r|
BDBM50310314 NC(=O)CN1CCNC(=O)CCCCC(=O)N(Cc2ccccc2)CC(=O)N(Cc2ccccc2)CC(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C1=O |r,wU:39.41,wD:50.52,(34.73,-38.76,;33.39,-39.53,;33.4,-41.07,;32.06,-38.76,;30.73,-39.54,;29.4,-38.77,;29.36,-37.17,;28.02,-36.41,;28.01,-34.87,;29.34,-34.09,;26.67,-34.1,;25.34,-34.88,;24,-34.12,;22.68,-34.9,;22.69,-36.44,;24.03,-37.2,;21.36,-37.22,;20.02,-36.46,;20.01,-34.92,;21.34,-34.15,;21.33,-32.61,;19.99,-31.85,;18.66,-32.63,;18.68,-34.17,;21.37,-38.76,;20.04,-39.54,;18.7,-38.78,;20.05,-41.08,;18.72,-41.85,;17.38,-41.09,;17.39,-39.55,;16.05,-38.78,;14.72,-39.56,;14.73,-41.1,;16.06,-41.86,;21.39,-41.86,;22.73,-41.09,;22.73,-39.55,;24.06,-41.86,;25.4,-41.09,;25.4,-42.63,;24.07,-43.4,;24.07,-44.94,;22.73,-45.71,;22.73,-47.25,;21.4,-48.02,;24.07,-48.02,;26.73,-41.86,;26.73,-43.4,;28.06,-41.09,;29.4,-41.86,;29.4,-43.4,;30.73,-44.17,;31.97,-43.23,;33.23,-44.11,;32.79,-45.59,;33.58,-46.9,;32.84,-48.24,;31.3,-48.27,;30.51,-46.96,;31.25,-45.61,;30.74,-41.08,;32.07,-41.84,)|
BDBM50310315 NC(=O)CN1CCNC(=O)CCCCC(=O)N[C@@H](Cc2ccccc2)C(=O)N(Cc2ccccc2)CC(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C1=O |r,wU:17.17,39.41,wD:50.52,(10.47,-37.67,;9.13,-38.44,;9.14,-39.98,;7.8,-37.67,;6.47,-38.45,;5.14,-37.68,;5.1,-36.08,;3.76,-35.32,;3.75,-33.78,;5.08,-33,;2.41,-33.02,;1.08,-33.8,;-.25,-33.03,;-1.58,-33.81,;-1.57,-35.35,;-.23,-36.11,;-2.9,-36.13,;-2.89,-37.67,;-4.23,-36.9,;-4.24,-35.36,;-2.91,-34.59,;-2.92,-33.05,;-4.26,-32.28,;-5.59,-33.07,;-5.57,-34.61,;-4.22,-38.45,;-5.56,-37.69,;-4.21,-39.99,;-5.54,-40.76,;-6.88,-40,;-6.87,-38.46,;-8.21,-37.69,;-9.54,-38.47,;-9.53,-40.02,;-8.2,-40.78,;-2.86,-40.77,;-1.53,-40,;-1.53,-38.46,;-.2,-40.77,;1.14,-40,;1.14,-41.54,;-.19,-42.31,;-.19,-43.85,;-1.53,-44.62,;-1.53,-46.16,;-2.86,-46.93,;-.19,-46.93,;2.47,-40.77,;2.47,-42.31,;3.8,-40,;5.14,-40.77,;5.14,-42.31,;6.47,-43.08,;7.71,-42.15,;8.97,-43.02,;8.53,-44.5,;9.32,-45.81,;8.58,-47.15,;7.04,-47.18,;6.25,-45.87,;6.99,-44.52,;6.48,-39.99,;7.81,-40.75,)|
BDBM50310316 NC(=O)CN1CCNC(=O)CCCC(=O)N(Cc2ccccc2)CC(=O)N(Cc2ccccc2)CC(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C1=O |r,wU:38.40,wD:49.51,(10.15,-18.94,;8.82,-19.71,;8.82,-21.25,;7.48,-18.95,;6.15,-19.72,;4.82,-18.95,;4.81,-17.41,;3.43,-15.05,;2.09,-14.29,;2.08,-12.75,;.77,-15.07,;-.57,-14.31,;-1.9,-15.08,;-1.89,-16.62,;-.55,-17.39,;-3.22,-17.4,;-4.56,-16.64,;-4.57,-15.1,;-3.23,-14.33,;-3.24,-12.79,;-4.58,-12.03,;-5.92,-12.82,;-5.9,-14.35,;-3.21,-18.94,;-4.54,-19.72,;-5.88,-18.96,;-4.53,-21.26,;-5.86,-22.04,;-7.19,-21.27,;-7.19,-19.73,;-8.53,-18.97,;-9.86,-19.74,;-9.85,-21.29,;-8.52,-22.05,;-3.18,-22.04,;-1.85,-21.27,;-1.85,-19.73,;-.52,-22.04,;.82,-21.27,;.82,-22.81,;-.51,-23.58,;-.51,-25.12,;-1.84,-25.89,;-1.84,-27.43,;-3.18,-28.2,;-.51,-28.2,;2.15,-22.04,;2.15,-23.58,;3.49,-21.27,;4.82,-22.04,;4.82,-23.58,;6.16,-24.35,;7.39,-23.42,;8.65,-24.3,;8.21,-25.77,;9,-27.08,;8.26,-28.42,;6.72,-28.46,;5.93,-27.14,;6.67,-25.8,;6.16,-21.26,;7.5,-22.02,)|
BDBM50310317 NC(=O)CN1CCNC(=O)CCCC(=O)N[C@@H](Cc2ccccc2)C(=O)N(Cc2ccccc2)CC(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C1=O |r,wU:16.16,38.40,wD:49.51,(33.33,.48,;32,-.29,;32,-1.83,;30.67,.48,;29.34,-.3,;28,.47,;28,2.01,;26.62,4.37,;25.28,5.13,;25.27,6.67,;23.95,4.35,;22.61,5.12,;21.28,4.34,;21.29,2.8,;22.63,2.04,;19.97,2.02,;19.98,.48,;18.64,1.25,;18.63,2.79,;19.96,3.56,;19.95,5.1,;18.61,5.87,;17.28,5.08,;17.29,3.54,;18.65,-.3,;17.31,.46,;18.66,-1.84,;17.33,-2.61,;15.99,-1.85,;15.99,-.31,;14.66,.46,;13.33,-.32,;13.33,-1.87,;14.67,-2.63,;20,-2.62,;21.34,-1.85,;21.34,-.31,;22.67,-2.62,;24.01,-1.85,;24.01,-3.39,;22.67,-4.16,;22.67,-5.7,;21.34,-6.47,;21.34,-8.01,;20.01,-8.78,;22.67,-8.78,;25.34,-2.62,;25.34,-4.16,;26.67,-1.85,;28,-2.62,;28,-4.16,;29.34,-4.93,;30.57,-4,;31.84,-4.87,;31.39,-6.35,;32.19,-7.66,;31.45,-9,;29.91,-9.03,;29.11,-7.72,;29.86,-6.37,;29.34,-1.84,;30.68,-2.6,)|
BDBM50310318 NC(=O)CN1CCNC(=O)CCCC(=O)N(Cc2ccccc2)CC(=O)N[C@H](Cc2ccccc2)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C1=O |r,wU:27.28,38.40,wD:49.51,(8.11,-.38,;6.78,-1.16,;6.78,-2.7,;5.44,-.39,;4.12,-1.16,;2.78,-.4,;2.77,1.14,;1.39,3.51,;.06,4.27,;.05,5.81,;-1.27,3.49,;-2.61,4.25,;-3.94,3.47,;-3.93,1.93,;-2.59,1.17,;-5.26,1.15,;-6.6,1.92,;-6.61,3.46,;-5.27,4.23,;-5.28,5.77,;-6.62,6.53,;-7.96,5.74,;-7.94,4.21,;-5.25,-.39,;-6.58,-1.16,;-7.91,-.4,;-6.56,-2.7,;-5.22,-3.48,;-5.24,-5.02,;-6.58,-5.77,;-7.9,-4.98,;-9.24,-5.73,;-9.26,-7.27,;-7.93,-8.06,;-6.59,-7.3,;-3.89,-2.71,;-3.89,-1.17,;-2.55,-3.48,;-1.21,-2.71,;-1.21,-4.25,;-2.55,-5.02,;-2.55,-6.56,;-3.88,-7.33,;-3.88,-8.87,;-5.22,-9.64,;-2.55,-9.64,;.11,-3.48,;.11,-5.02,;1.45,-2.71,;2.78,-3.48,;2.78,-5.02,;4.12,-5.79,;5.35,-4.86,;6.62,-5.74,;6.17,-7.21,;6.96,-8.52,;6.23,-9.86,;4.68,-9.9,;3.89,-8.58,;4.63,-7.24,;4.12,-2.7,;5.46,-3.47,)|
BDBM50310319 NC(=O)CN1CCNC(=O)CCC(=O)N(Cc2ccccc2)CC(=O)N(Cc2ccccc2)CC(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C1=O |r,wU:37.39,wD:48.50,(37.65,-41.43,;36.31,-42.2,;36.32,-43.74,;34.98,-41.43,;33.66,-42.2,;32.32,-41.43,;32.31,-39.89,;28.27,-39.09,;28.26,-37.55,;29.59,-36.77,;26.92,-36.78,;25.59,-37.57,;25.6,-39.11,;26.94,-39.86,;24.27,-39.88,;22.94,-39.13,;22.93,-37.59,;24.26,-36.81,;24.25,-35.27,;22.91,-34.5,;21.58,-35.3,;21.59,-36.83,;24.28,-41.43,;22.95,-42.21,;21.62,-41.44,;22.96,-43.75,;21.64,-44.52,;20.3,-43.75,;20.3,-42.22,;18.96,-41.44,;17.63,-42.22,;17.64,-43.77,;18.97,-44.53,;24.31,-44.53,;25.65,-43.76,;25.65,-42.22,;26.98,-44.53,;28.32,-43.76,;28.32,-45.3,;26.99,-46.07,;26.99,-47.61,;25.65,-48.38,;25.65,-49.92,;24.31,-50.69,;26.99,-50.69,;29.65,-44.53,;29.65,-46.07,;30.98,-43.76,;32.32,-44.53,;32.32,-46.07,;33.66,-46.83,;34.89,-45.9,;36.16,-46.79,;35.71,-48.26,;36.5,-49.57,;35.76,-50.91,;34.22,-50.94,;33.42,-49.63,;34.17,-48.28,;33.66,-43.74,;34.99,-44.51,)|
BDBM50310320 NC(=O)CN1CCNC(=O)CCC(=O)N[C@@H](Cc2ccccc2)C(=O)N(Cc2ccccc2)CC(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C1=O |r,wU:15.15,37.39,wD:48.50,(10.67,-40.67,;9.34,-41.45,;9.34,-42.99,;8,-40.68,;6.68,-41.45,;5.34,-40.68,;5.34,-39.14,;1.3,-38.33,;1.29,-36.79,;2.61,-36.02,;-.05,-36.03,;-1.38,-36.81,;-1.37,-38.35,;-.03,-39.11,;-2.7,-39.13,;-2.69,-40.67,;-4.03,-39.89,;-4.04,-38.35,;-2.71,-37.59,;-2.72,-36.05,;-4.06,-35.28,;-5.39,-36.07,;-5.37,-37.61,;-4.02,-41.45,;-5.36,-40.69,;-4.01,-43,;-5.34,-43.77,;-6.68,-43,;-6.68,-41.46,;-8.01,-40.7,;-9.35,-41.47,;-9.34,-43.02,;-8,-43.78,;-2.67,-43.77,;-1.33,-43.01,;-1.33,-41.46,;.01,-43.77,;1.35,-43.01,;1.35,-44.55,;.01,-45.31,;.01,-46.85,;-1.33,-47.63,;-1.33,-49.17,;-2.66,-49.94,;.01,-49.94,;2.67,-43.77,;2.67,-45.31,;4.01,-43.01,;5.34,-43.77,;5.34,-45.31,;6.68,-46.09,;7.92,-45.15,;9.18,-46.03,;8.73,-47.5,;9.53,-48.81,;8.79,-50.16,;7.24,-50.19,;6.45,-48.87,;7.2,-47.53,;6.68,-42.99,;8.02,-43.75,)|
BDBM50310321 NC(=O)CN1CCNC(=O)CCC(=O)N(Cc2ccccc2)CC(=O)N[C@H](Cc2ccccc2)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C1=O |r,wU:26.27,37.39,wD:48.50,(41.43,-22.54,;40.1,-23.3,;40.1,-24.84,;38.77,-22.54,;37.44,-23.31,;36.1,-22.54,;36.09,-21,;32.06,-20.2,;32.05,-18.66,;33.38,-17.87,;30.7,-17.89,;29.37,-18.67,;29.39,-20.21,;30.73,-20.97,;28.05,-20.99,;26.72,-20.23,;26.71,-18.69,;28.05,-17.92,;28.04,-16.38,;26.69,-15.61,;25.36,-16.4,;25.38,-17.94,;28.07,-22.54,;26.74,-23.31,;25.4,-22.55,;26.75,-24.85,;28.09,-25.64,;28.08,-27.17,;26.74,-27.92,;25.41,-27.13,;24.07,-27.88,;24.05,-29.43,;25.38,-30.21,;26.72,-29.46,;29.43,-24.86,;29.43,-23.32,;30.76,-25.64,;32.11,-24.86,;32.11,-26.4,;30.77,-27.18,;30.77,-28.72,;29.43,-29.49,;29.43,-31.03,;28.1,-31.8,;30.77,-31.8,;33.43,-25.64,;33.43,-27.18,;34.77,-24.86,;36.1,-25.64,;36.1,-27.18,;37.44,-27.94,;38.67,-27.01,;39.94,-27.89,;39.49,-29.36,;40.29,-30.68,;39.55,-32.02,;38,-32.05,;37.21,-30.74,;37.95,-29.39,;37.44,-24.85,;38.78,-25.62,)|
BDBM50310322 CC(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N(CC(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(N)=O)Cc1ccccc1 |r,wU:23.23,8.7,wD:34.34,(23.52,-9.64,;24.85,-10.41,;24.85,-11.95,;26.18,-9.64,;27.52,-10.41,;28.85,-9.64,;28.85,-8.1,;30.18,-10.41,;31.52,-9.64,;31.52,-8.09,;30.75,-6.75,;31.53,-5.42,;30.77,-4.08,;29.22,-4.07,;28.44,-5.42,;29.22,-6.75,;32.85,-10.41,;32.85,-11.95,;34.19,-9.64,;35.52,-10.41,;36.85,-9.64,;36.85,-8.1,;38.19,-10.41,;39.52,-9.64,;39.52,-8.1,;40.85,-7.33,;40.85,-5.79,;42.19,-5.02,;42.19,-3.48,;43.52,-2.71,;40.85,-2.71,;40.85,-10.41,;40.85,-11.95,;42.19,-9.64,;43.52,-10.41,;43.52,-11.95,;44.86,-12.72,;46.09,-11.78,;47.36,-12.66,;46.91,-14.13,;47.7,-15.44,;46.97,-16.79,;45.42,-16.82,;44.63,-15.5,;45.37,-14.16,;44.86,-9.64,;44.86,-8.1,;46.19,-10.41,;47.52,-9.64,;48.86,-10.41,;50.19,-9.64,;48.86,-11.95,;34.18,-8.09,;34.94,-6.75,;36.48,-6.75,;37.24,-5.41,;36.46,-4.08,;34.92,-4.09,;34.16,-5.43,)|
BDBM50310323 CC(=O)NCC(=O)N(CC(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(N)=O)Cc1ccccc1 |r,wU:23.23,12.11,wD:34.34,(-10.03,-9.43,;-8.69,-10.2,;-8.69,-11.74,;-7.36,-9.43,;-6.02,-10.2,;-4.69,-9.43,;-4.69,-7.89,;-3.35,-10.2,;-2.02,-9.43,;-.69,-10.2,;-.69,-11.74,;.64,-9.43,;1.98,-10.2,;1.98,-11.74,;3.31,-12.51,;3.31,-14.06,;4.64,-14.82,;5.98,-14.06,;5.97,-12.51,;4.64,-11.74,;3.31,-9.43,;3.31,-7.89,;4.65,-10.2,;5.98,-9.43,;5.98,-7.89,;7.31,-7.1,;7.29,-5.56,;5.95,-4.81,;5.93,-3.29,;4.58,-2.53,;7.25,-2.5,;7.32,-10.2,;7.32,-11.74,;8.65,-9.43,;9.98,-10.2,;9.98,-11.74,;11.32,-12.51,;12.55,-11.58,;13.82,-12.46,;13.38,-13.93,;14.16,-15.24,;13.43,-16.59,;11.89,-16.62,;11.09,-15.3,;11.84,-13.96,;11.32,-9.43,;11.32,-7.89,;12.65,-10.2,;13.99,-9.43,;15.32,-10.2,;16.65,-9.43,;15.32,-11.74,;-3.35,-11.74,;-4.69,-12.51,;-6.02,-11.73,;-7.35,-12.5,;-7.35,-14.05,;-6.01,-14.81,;-4.68,-14.04,)|
BDBM50310324 N[C@@H](Cc1ccccc1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O |r,wU:34.35,wD:1.0,12.12,23.24,(-11.51,1.41,;-10.19,.63,;-10.2,-.91,;-8.88,-1.7,;-8.89,-3.23,;-7.56,-4.02,;-6.22,-3.26,;-6.21,-1.72,;-7.54,-.94,;-8.85,1.38,;-8.83,2.93,;-7.52,.6,;-6.18,1.36,;-6.16,2.9,;-4.82,3.66,;-4.81,5.2,;-3.47,5.96,;-2.14,5.17,;-2.16,3.63,;-3.5,2.88,;-4.85,.58,;-4.87,-.96,;-3.51,1.33,;-2.19,.55,;-2.2,-.99,;-.88,-1.77,;-.89,-3.31,;.44,-4.1,;.43,-5.63,;1.75,-6.42,;-.91,-6.39,;-.84,1.31,;-.82,2.85,;.48,.52,;1.83,1.28,;1.85,2.83,;3.18,3.58,;4.44,2.69,;5.67,3.61,;5.18,5.07,;5.93,6.41,;5.15,7.75,;3.61,7.73,;2.86,6.38,;3.64,5.05,;3.15,.51,;4.5,1.26,;3.14,-1.04,)|
BDBM50310325 NC(=O)CN1CCNC(=O)CCCCC(=O)N(Cc2ccccc2)CC(=O)N[C@H](Cc2ccccc2)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C1=O |r,wU:28.29,39.41,wD:50.52,(33.21,-20.02,;31.88,-20.79,;31.88,-22.33,;30.54,-20.03,;29.22,-20.8,;27.88,-20.04,;27.87,-18.5,;26.54,-17.73,;26.49,-16.13,;27.82,-15.35,;25.16,-15.37,;23.83,-16.15,;22.49,-15.39,;21.16,-16.17,;21.17,-17.71,;22.51,-18.47,;19.84,-18.48,;18.5,-17.72,;18.49,-16.18,;19.83,-15.41,;19.82,-13.87,;18.48,-13.11,;17.14,-13.9,;17.16,-15.43,;19.85,-20.02,;18.52,-20.8,;17.18,-20.04,;18.53,-22.34,;19.88,-23.12,;19.86,-24.66,;18.52,-25.41,;17.2,-24.62,;15.86,-25.37,;15.84,-26.91,;17.17,-27.7,;18.51,-26.94,;21.21,-22.35,;21.21,-20.81,;22.55,-23.12,;23.88,-22.35,;23.88,-23.89,;22.55,-24.66,;22.55,-26.2,;21.22,-26.97,;21.22,-28.51,;19.88,-29.28,;22.55,-29.28,;25.21,-23.12,;25.21,-24.66,;26.55,-22.35,;27.88,-23.12,;27.88,-24.66,;29.22,-25.43,;30.45,-24.5,;31.71,-25.38,;31.27,-26.85,;32.06,-28.16,;31.32,-29.5,;29.78,-29.54,;28.99,-28.22,;29.73,-26.88,;29.22,-22.34,;30.56,-23.11,)|
BDBM50310326 CC(=O)NCC(=O)N(CC(=O)N(CC(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(N)=O)Cc1ccccc1)Cc1ccccc1 |r,wU:16.15,wD:27.26,(-7.77,-25.68,;-6.43,-26.44,;-6.43,-27.98,;-5.1,-25.68,;-3.76,-26.44,;-2.43,-25.68,;-2.43,-24.14,;-1.09,-26.44,;.24,-25.68,;1.57,-26.44,;1.57,-27.98,;2.91,-25.68,;4.24,-26.44,;5.58,-25.68,;5.58,-24.14,;6.91,-26.44,;8.25,-25.68,;8.25,-24.14,;9.58,-23.36,;9.58,-21.82,;10.91,-21.05,;10.91,-19.51,;12.25,-18.74,;9.58,-18.74,;9.58,-26.44,;9.58,-27.98,;10.91,-25.68,;12.25,-26.44,;12.25,-27.98,;13.59,-28.76,;14.82,-27.82,;16.09,-28.7,;15.64,-30.18,;16.43,-31.49,;15.7,-32.83,;14.15,-32.87,;13.36,-31.55,;14.11,-30.2,;13.58,-25.68,;13.58,-24.14,;14.92,-26.44,;16.25,-25.68,;17.59,-26.44,;18.92,-25.68,;17.59,-27.98,;2.91,-24.14,;1.57,-23.36,;1.57,-21.82,;.25,-21.05,;-1.09,-21.82,;-1.08,-23.37,;.25,-24.13,;-1.09,-27.98,;-2.43,-28.76,;-3.76,-27.98,;-5.1,-28.75,;-5.1,-30.29,;-3.75,-31.06,;-2.42,-30.29,)|
BDBM50301130 NC(N)=NCCC[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)C=Cc1cccc(c1)C(F)(F)F)C(N)=O |r,w:32.33,wU:22.30,7.7,wD:11.19,(9.88,-27.18,;8.54,-26.42,;8.55,-24.87,;7.21,-27.19,;5.87,-26.42,;4.54,-27.19,;3.21,-26.42,;3.21,-24.88,;1.87,-24.11,;.54,-24.88,;.54,-26.42,;-.79,-24.11,;-.79,-22.57,;-2.13,-21.8,;-2.13,-20.26,;-3.46,-19.49,;-4.79,-20.26,;-4.79,-21.8,;-3.46,-22.57,;-2.13,-24.88,;-2.12,-26.42,;-.78,-27.19,;-3.45,-27.19,;-4.78,-26.42,;-6.12,-27.19,;-7.52,-26.56,;-8.55,-27.71,;-7.78,-29.04,;-6.28,-28.72,;-3.46,-28.73,;-2.12,-29.49,;-.79,-28.72,;-2.12,-31.03,;-3.46,-31.8,;-3.46,-33.34,;-4.8,-34.1,;-4.8,-35.64,;-3.46,-36.41,;-2.12,-35.63,;-2.13,-34.1,;-.79,-36.4,;-.78,-37.94,;.54,-35.62,;.54,-37.17,;4.54,-24.11,;5.87,-24.88,;4.54,-22.57,)|
BDBM50301125 NC(N)=NCCC[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)C=Cc1ccccc1)C(N)=O |r,w:32.33,wU:22.30,7.7,wD:11.19,(13.44,-24.45,;12.1,-23.69,;12.11,-22.15,;10.77,-24.45,;9.42,-23.7,;8.1,-24.47,;6.76,-23.7,;6.76,-22.16,;5.43,-21.39,;4.1,-22.16,;4.1,-23.7,;2.77,-21.38,;2.77,-19.84,;1.43,-19.08,;1.43,-17.54,;.1,-16.76,;-1.24,-17.54,;-1.24,-19.08,;.1,-19.84,;1.43,-22.15,;1.44,-23.69,;2.78,-24.46,;.11,-24.46,;-1.22,-23.69,;-2.55,-24.46,;-3.95,-23.83,;-4.99,-24.98,;-4.22,-26.31,;-2.72,-25.99,;.1,-26,;1.44,-26.76,;2.77,-25.99,;1.44,-28.3,;.11,-29.07,;.11,-30.61,;-1.24,-31.37,;-1.24,-32.91,;.1,-33.68,;1.44,-32.9,;1.43,-31.36,;8.1,-21.39,;9.42,-22.16,;8.1,-19.85,)|
BDBM50301126 NC(N)=NCCC[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)C=Cc1ccccc1F)C(N)=O |r,w:32.33,wU:22.30,7.7,wD:11.19,(36.25,-25.56,;34.9,-24.8,;34.92,-23.26,;33.57,-25.56,;32.22,-24.81,;30.9,-25.58,;29.56,-24.81,;29.56,-23.27,;28.23,-22.5,;26.9,-23.27,;26.9,-24.81,;25.57,-22.49,;25.57,-20.95,;24.23,-20.19,;24.23,-18.65,;22.9,-17.87,;21.56,-18.65,;21.56,-20.19,;22.9,-20.95,;24.23,-23.26,;24.24,-24.8,;25.58,-25.57,;22.91,-25.57,;21.58,-24.8,;20.25,-25.57,;18.85,-24.94,;17.81,-26.09,;18.58,-27.42,;20.08,-27.1,;22.9,-27.11,;24.24,-27.87,;25.58,-27.1,;24.24,-29.41,;22.91,-30.18,;22.91,-31.72,;21.56,-32.48,;21.56,-34.02,;22.9,-34.79,;24.24,-34.01,;24.23,-32.47,;25.56,-31.7,;30.9,-22.5,;32.22,-23.27,;30.9,-20.96,)|
BDBM50301127 COc1ccccc1C=CC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@H](CCCN=C(N)N)C(N)=O |r,w:9.10,wU:13.13,34.36,wD:23.24,(7.6,-51.86,;6.26,-51.1,;4.93,-51.87,;4.94,-53.41,;3.6,-54.19,;2.26,-53.41,;2.26,-51.87,;3.6,-51.12,;3.6,-49.58,;4.94,-48.8,;4.94,-47.26,;6.27,-46.5,;3.6,-46.51,;3.61,-44.97,;2.27,-44.2,;.94,-44.97,;-.46,-44.34,;-1.49,-45.49,;-.73,-46.82,;.78,-46.5,;4.94,-44.2,;6.28,-44.97,;4.93,-42.66,;6.26,-41.89,;6.26,-40.35,;4.93,-39.58,;4.93,-38.04,;3.6,-37.27,;2.26,-38.04,;2.26,-39.58,;3.6,-40.35,;7.59,-42.66,;7.59,-44.2,;8.93,-41.89,;10.26,-42.67,;10.26,-44.21,;11.6,-44.97,;12.92,-44.21,;14.26,-44.96,;15.6,-44.2,;16.94,-44.95,;15.61,-42.65,;11.6,-41.89,;12.92,-42.67,;11.6,-40.35,)|
BDBM50301131 NC(N)=NCCC[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)C=Cc1cccc(O)c1)C(N)=O |r,w:32.33,wU:22.30,7.7,wD:11.19,(33.78,-29.06,;32.45,-28.29,;32.46,-26.75,;31.12,-29.06,;29.78,-28.3,;28.45,-29.07,;27.11,-28.3,;27.11,-26.76,;25.78,-25.99,;24.45,-26.75,;24.45,-28.29,;23.12,-25.98,;23.12,-24.44,;21.78,-23.67,;21.78,-22.13,;20.45,-21.36,;19.12,-22.13,;19.12,-23.67,;20.45,-24.44,;21.78,-26.75,;21.79,-28.29,;23.13,-29.06,;20.46,-29.06,;19.12,-28.29,;17.79,-29.06,;16.39,-28.43,;15.36,-29.58,;16.13,-30.91,;17.63,-30.59,;20.45,-30.6,;21.79,-31.36,;23.12,-30.59,;21.79,-32.9,;20.45,-33.67,;20.45,-35.21,;19.11,-35.98,;19.11,-37.51,;20.45,-38.29,;21.78,-37.51,;23.12,-38.27,;21.78,-35.97,;28.45,-25.99,;29.78,-26.76,;28.45,-24.45,)|
BDBM50301132 NC(N)=NCCC[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CCc1cccc(O)c1)C(N)=O |r,wU:22.30,7.7,wD:11.19,(19.41,-46.1,;18.08,-45.33,;18.08,-43.79,;16.74,-46.1,;15.41,-45.34,;14.08,-46.11,;12.74,-45.34,;12.74,-43.8,;11.41,-43.03,;10.07,-43.79,;10.07,-45.33,;8.74,-43.02,;8.74,-41.48,;7.41,-40.71,;7.41,-39.17,;6.08,-38.4,;4.74,-39.17,;4.74,-40.71,;6.08,-41.48,;7.41,-43.79,;7.42,-45.33,;8.75,-46.1,;6.09,-46.1,;4.75,-45.33,;3.42,-46.1,;2.01,-45.47,;.98,-46.62,;1.75,-47.95,;3.26,-47.63,;6.08,-47.64,;7.41,-48.4,;8.75,-47.63,;7.41,-49.94,;6.08,-50.71,;6.08,-52.25,;4.74,-53.02,;4.74,-54.56,;6.07,-55.33,;7.41,-54.55,;8.75,-55.31,;7.41,-53.01,;14.08,-43.03,;15.41,-43.8,;14.08,-41.49,)|
BDBM50301133 NC(N)=NCCC[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)c1cc2cc(O)ccc2[nH]1)C(N)=O |r,wU:22.30,7.7,wD:11.19,(10.17,-5.81,;8.83,-5.04,;8.84,-3.5,;7.49,-5.81,;6.15,-5.05,;4.83,-5.82,;3.49,-5.05,;3.49,-3.51,;2.16,-2.74,;.83,-3.51,;.83,-5.05,;-.5,-2.74,;-.5,-1.2,;-1.84,-.43,;-1.84,1.11,;-3.17,1.88,;-4.51,1.11,;-4.51,-.43,;-3.17,-1.2,;-1.84,-3.51,;-1.83,-5.05,;-.49,-5.81,;-3.16,-5.81,;-4.49,-5.05,;-5.82,-5.81,;-7.23,-5.19,;-8.26,-6.33,;-7.49,-7.66,;-5.99,-7.34,;-3.17,-7.35,;-1.83,-8.12,;-.5,-7.34,;-1.83,-9.66,;-3.08,-10.57,;-2.6,-12.03,;-3.37,-13.36,;-2.6,-14.69,;-3.37,-16.02,;-1.06,-14.68,;-.3,-13.36,;-1.06,-12.03,;-.59,-10.57,;4.83,-2.74,;6.15,-3.51,;4.83,-1.2,)|
BDBM50301134 NC(N)=NCCC[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)C=Cc1ccc(Cl)cc1)C(N)=O |r,w:32.33,wU:22.30,7.7,wD:11.19,(35.53,-5.75,;34.19,-4.99,;34.2,-3.45,;32.85,-5.76,;31.51,-5,;30.19,-5.77,;28.85,-5,;28.85,-3.46,;27.52,-2.69,;26.19,-3.46,;26.19,-5,;24.86,-2.68,;24.86,-1.14,;23.52,-.38,;23.52,1.16,;22.19,1.94,;20.85,1.16,;20.85,-.38,;22.19,-1.14,;23.52,-3.45,;23.53,-4.99,;24.87,-5.76,;22.2,-5.76,;20.87,-4.99,;19.54,-5.76,;18.14,-5.13,;17.1,-6.28,;17.87,-7.61,;19.37,-7.29,;22.19,-7.3,;23.53,-8.06,;24.86,-7.29,;23.53,-9.6,;24.85,-10.37,;24.85,-11.9,;23.52,-12.66,;23.52,-14.19,;24.85,-14.96,;24.85,-16.49,;26.18,-14.18,;26.17,-12.65,;30.19,-2.69,;31.52,-3.46,;30.19,-1.15,)|
BDBM50301135 NC(N)=NCCC[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)C=Cc1ccc(O)cc1)C(N)=O |r,w:32.33,wU:22.30,7.7,wD:11.19,(10.53,-27.66,;9.19,-26.89,;9.2,-25.35,;7.86,-27.66,;6.51,-26.91,;5.19,-27.67,;3.85,-26.91,;3.85,-25.37,;2.52,-24.59,;1.19,-25.36,;1.19,-26.9,;-.14,-24.59,;-.14,-23.05,;-1.48,-22.28,;-1.48,-20.74,;-2.81,-19.97,;-4.14,-20.74,;-4.14,-22.28,;-2.81,-23.05,;-1.47,-25.36,;-1.46,-26.9,;-.13,-27.66,;-2.79,-27.66,;-4.13,-26.9,;-5.46,-27.66,;-6.86,-27.04,;-7.9,-28.18,;-7.13,-29.51,;-5.62,-29.2,;-2.81,-29.2,;-1.47,-29.97,;-.14,-29.19,;-1.47,-31.51,;-.14,-32.27,;-.14,-33.81,;-1.48,-34.56,;-1.48,-36.1,;-.15,-36.86,;-.15,-38.4,;1.18,-36.09,;1.18,-34.56,;5.19,-24.59,;6.52,-25.37,;5.19,-23.05,)|
BDBM50301136 NC(N)=NCCC[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CCc1ccc(O)cc1)C(N)=O |r,wU:22.30,7.7,wD:11.19,(32.3,-28.05,;30.96,-27.29,;30.97,-25.74,;29.63,-28.05,;28.28,-27.3,;26.96,-28.06,;25.63,-27.3,;25.63,-25.76,;24.29,-24.98,;22.96,-25.75,;22.96,-27.29,;21.63,-24.98,;21.63,-23.44,;20.29,-22.67,;20.29,-21.13,;18.96,-20.36,;17.63,-21.13,;17.63,-22.67,;18.96,-23.44,;20.3,-25.75,;20.31,-27.29,;21.64,-28.06,;18.98,-28.06,;17.64,-27.29,;16.31,-28.06,;14.91,-27.43,;13.87,-28.57,;14.64,-29.9,;16.15,-29.59,;18.96,-29.6,;20.3,-30.36,;21.64,-29.58,;20.3,-31.9,;21.63,-32.66,;21.63,-34.2,;20.29,-34.96,;20.29,-36.49,;21.62,-37.25,;21.62,-38.79,;22.95,-36.48,;22.95,-34.95,;26.96,-24.98,;28.29,-25.76,;26.96,-23.44,)|
BDBM50301137 COc1ccc(C=CC(=O)N[C@@H](Cc2cnc[nH]2)C(=O)N[C@H](Cc2ccccc2)C(=O)N[C@H](CCCN=C(N)N)C(N)=O)cc1 |r,w:7.7,wU:11.10,32.33,wD:21.21,(10.35,-58.71,;9.02,-57.94,;9.02,-56.41,;7.69,-55.64,;7.69,-54.11,;9.03,-53.35,;9.03,-51.82,;7.7,-51.05,;7.7,-49.51,;9.04,-48.74,;6.36,-48.75,;6.38,-47.21,;5.04,-46.44,;3.71,-47.21,;2.31,-46.58,;1.27,-47.73,;2.04,-49.06,;3.55,-48.74,;7.71,-46.44,;9.04,-47.21,;7.7,-44.9,;9.03,-44.13,;9.03,-42.59,;7.69,-41.83,;7.69,-40.29,;6.36,-39.51,;5.03,-40.29,;5.03,-41.83,;6.36,-42.59,;10.36,-44.91,;10.36,-46.45,;11.69,-44.14,;13.03,-44.91,;13.03,-46.45,;14.36,-47.22,;15.69,-46.45,;17.03,-47.21,;18.36,-46.44,;19.7,-47.2,;18.37,-44.9,;14.36,-44.14,;15.69,-44.91,;14.36,-42.6,;10.35,-54.11,;10.35,-55.63,)|
BDBM50301138 NC(N)=NCCC[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)C=Cc1ccc(cc1)[N+]([O-])=O)C(N)=O |r,w:32.33,wU:22.30,7.7,wD:11.19,(30.91,-4.51,;29.58,-3.74,;29.58,-2.2,;28.24,-4.51,;26.91,-3.75,;25.59,-4.52,;24.25,-3.75,;24.25,-2.21,;22.91,-1.44,;21.58,-2.21,;21.58,-3.75,;20.25,-1.44,;20.25,.1,;18.91,.87,;18.91,2.41,;17.58,3.18,;16.24,2.41,;16.24,.87,;17.58,.1,;18.91,-2.2,;18.92,-3.74,;20.25,-4.52,;17.59,-4.52,;16.25,-3.74,;14.92,-4.52,;13.52,-3.88,;12.48,-5.04,;13.25,-6.37,;14.76,-6.05,;17.58,-6.06,;18.91,-6.82,;20.25,-6.05,;18.91,-8.36,;17.58,-9.13,;17.58,-10.67,;16.24,-11.43,;16.24,-12.97,;17.57,-13.74,;18.91,-12.96,;18.91,-11.43,;17.58,-15.29,;16.25,-16.06,;18.92,-16.06,;25.59,-1.44,;26.91,-2.21,;25.59,.1,)|
BDBM50301139 NC(N)=NCCC[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)c1ccc2cc(O)ccc2c1)C(N)=O |r,wU:22.30,7.7,wD:11.19,(33.19,-5.01,;31.86,-4.24,;31.86,-2.69,;30.53,-5.01,;29.19,-4.24,;27.87,-5.02,;26.53,-4.24,;26.53,-2.7,;25.2,-1.93,;23.86,-2.7,;23.86,-4.24,;22.53,-1.93,;22.53,-.39,;21.19,.38,;21.19,1.92,;19.86,2.69,;18.53,1.92,;18.53,.38,;19.86,-.39,;21.19,-2.7,;21.2,-4.24,;22.54,-5.01,;19.87,-5.01,;18.53,-4.24,;17.2,-5.01,;15.8,-4.38,;14.77,-5.53,;15.53,-6.86,;17.04,-6.54,;19.86,-6.55,;21.2,-7.31,;22.53,-6.54,;21.2,-8.85,;19.86,-9.62,;19.86,-11.16,;21.2,-11.92,;21.21,-13.46,;22.54,-14.23,;22.55,-15.77,;23.88,-13.44,;23.87,-11.91,;22.53,-11.15,;22.53,-9.62,;27.87,-1.94,;29.19,-2.7,;27.87,-.4,)|
BDBM50301140 NC(N)=NCCC[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)C=Cc1ccc2OCOc2c1)C(N)=O |r,w:32.33,wU:22.30,7.7,wD:11.19,(29.56,-2.79,;28.23,-2.02,;28.23,-.48,;26.89,-2.79,;25.56,-2.03,;24.23,-2.8,;22.89,-2.03,;22.89,-.49,;21.56,.28,;20.22,-.49,;20.22,-2.03,;18.89,.28,;18.89,1.82,;17.56,2.59,;17.56,4.13,;16.23,4.9,;14.89,4.13,;14.89,2.59,;16.23,1.82,;17.56,-.49,;17.57,-2.03,;18.9,-2.8,;16.24,-2.8,;14.9,-2.03,;13.57,-2.8,;12.16,-2.16,;11.13,-3.32,;11.9,-4.64,;13.41,-4.33,;16.23,-4.34,;17.56,-5.1,;18.9,-4.33,;17.56,-6.64,;16.23,-7.41,;16.23,-8.95,;17.56,-9.71,;17.57,-11.25,;16.23,-12.02,;15.92,-13.53,;14.38,-13.7,;13.75,-12.3,;14.89,-11.26,;14.9,-9.71,;24.23,.28,;25.56,-.49,;24.23,1.82,)|
BDBM50301141 NC(N)=NCCC[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CCc1cccc2OCOc12)C(N)=O |r,wU:22.30,7.7,wD:11.19,(32.56,-30.51,;31.22,-29.74,;31.23,-28.2,;29.89,-30.51,;28.55,-29.75,;27.22,-30.52,;25.89,-29.75,;25.89,-28.21,;24.55,-27.44,;23.22,-28.21,;23.22,-29.75,;21.89,-27.44,;21.89,-25.9,;20.55,-25.13,;20.55,-23.59,;19.22,-22.82,;17.89,-23.59,;17.89,-25.13,;19.22,-25.9,;20.55,-28.21,;20.56,-29.75,;21.9,-30.52,;19.23,-30.52,;17.9,-29.75,;16.56,-30.52,;15.16,-29.89,;14.13,-31.04,;14.9,-32.36,;16.4,-32.05,;19.22,-32.06,;20.56,-32.82,;21.89,-32.05,;20.56,-34.36,;19.22,-35.13,;19.22,-36.67,;20.55,-37.43,;20.56,-38.96,;19.22,-39.74,;17.88,-38.97,;16.41,-39.45,;15.51,-38.2,;16.41,-36.95,;17.88,-37.42,;27.22,-27.44,;28.55,-28.21,;27.22,-25.9,)|
BDBM50301142 NC(N)=NCCC[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)C=Cc1ccc(F)cc1F)C(N)=O |r,w:32.33,wU:22.30,7.7,wD:11.19,(33.25,-4.16,;31.92,-3.39,;31.93,-1.84,;30.59,-4.16,;29.25,-3.39,;27.93,-4.17,;26.59,-3.39,;26.59,-1.85,;25.26,-1.08,;23.92,-1.85,;23.92,-3.39,;22.59,-1.08,;22.59,.46,;21.25,1.23,;21.25,2.77,;19.92,3.54,;18.59,2.77,;18.59,1.23,;19.92,.46,;21.25,-1.85,;21.26,-3.39,;22.6,-4.16,;19.93,-4.16,;18.59,-3.39,;17.26,-4.16,;15.86,-3.53,;14.83,-4.68,;15.59,-6.01,;17.1,-5.69,;19.92,-5.7,;21.26,-6.46,;22.59,-5.69,;21.26,-8,;19.92,-8.77,;19.92,-10.31,;18.58,-11.07,;18.58,-12.61,;19.92,-13.39,;19.92,-14.93,;21.26,-12.6,;21.25,-11.07,;22.58,-10.3,;27.93,-1.09,;29.25,-1.85,;27.93,.45,)|
BDBM50301143 NC(N)=NCCC[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CCc1cccnc1)C(N)=O |r,wU:22.30,7.7,wD:11.19,(10.33,-5.78,;8.99,-5.04,;9,-3.49,;7.65,-5.79,;6.3,-5.04,;4.99,-5.8,;3.64,-5.04,;3.64,-3.5,;2.31,-2.73,;.98,-3.49,;.98,-5.03,;-.35,-2.72,;-.35,-1.18,;-1.69,-.42,;-1.69,1.13,;-3.02,1.9,;-4.35,1.13,;-4.35,-.42,;-3.02,-1.18,;-1.69,-3.49,;-1.68,-5.03,;-.33,-5.79,;-3,-5.79,;-4.34,-5.03,;-5.67,-5.79,;-7.07,-5.16,;-8.1,-6.32,;-7.34,-7.64,;-5.83,-7.32,;-3.02,-7.33,;-1.67,-8.08,;-.34,-7.32,;-1.67,-9.62,;-3.01,-10.4,;-3.01,-11.94,;-4.34,-12.69,;-4.34,-14.23,;-3.01,-15,;-1.68,-14.23,;-1.68,-12.69,;4.99,-2.73,;6.31,-3.5,;4.99,-1.19,)|
BDBM50301144 NC(N)=NCCC[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CCc1cnc[nH]1)C(N)=O |r,wU:22.30,7.7,wD:11.19,(33.71,-6.59,;32.38,-5.81,;32.38,-4.27,;31.05,-6.59,;29.71,-5.82,;28.39,-6.59,;27.05,-5.82,;27.05,-4.28,;25.72,-3.51,;24.38,-4.28,;24.38,-5.82,;23.05,-3.51,;23.05,-1.97,;21.71,-1.2,;21.71,.34,;20.38,1.11,;19.04,.34,;19.04,-1.2,;20.38,-1.97,;21.71,-4.27,;21.72,-5.81,;23.06,-6.59,;20.39,-6.59,;19.05,-5.81,;17.72,-6.59,;16.32,-5.95,;15.29,-7.11,;16.05,-8.44,;17.56,-8.12,;20.38,-8.13,;21.72,-8.89,;23.05,-8.12,;21.72,-10.43,;20.38,-11.2,;20.38,-12.74,;21.62,-13.63,;21.15,-15.1,;19.61,-15.1,;19.13,-13.63,;28.39,-3.51,;29.71,-4.28,;28.39,-1.97,)|
BDBM50301145 NC(N)=NCCC[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)C(F)=Cc1ccccc1)C(N)=O |r,w:34.36,wU:22.30,7.7,wD:11.19,(10.55,-27.38,;9.21,-26.62,;9.22,-25.08,;7.87,-27.38,;6.53,-26.63,;5.2,-27.4,;3.87,-26.63,;3.87,-25.09,;2.54,-24.32,;1.2,-25.09,;1.2,-26.63,;-.13,-24.32,;-.13,-22.78,;-1.47,-22.01,;-1.47,-20.47,;-2.79,-19.7,;-4.13,-20.47,;-4.13,-22.01,;-2.79,-22.78,;-1.46,-25.09,;-1.45,-26.63,;-.11,-27.39,;-2.78,-27.39,;-4.12,-26.63,;-5.45,-27.39,;-6.85,-26.76,;-7.88,-27.92,;-7.12,-29.25,;-5.61,-28.92,;-2.8,-28.93,;-1.45,-29.69,;-.12,-28.92,;-1.45,-31.23,;-.13,-31.99,;-2.79,-32,;-2.79,-33.54,;-4.13,-34.3,;-4.13,-35.84,;-2.8,-36.61,;-1.46,-35.83,;-1.46,-34.3,;5.2,-24.32,;6.53,-25.09,;5.2,-22.78,)|
BDBM50301146 NC(N)=NCCC[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)C(=Cc1ccc(O)cc1)C#N)C(N)=O |r,w:33.35,wU:22.30,7.7,wD:11.19,(35.44,-28.28,;34.1,-27.52,;34.11,-25.98,;32.76,-28.28,;31.41,-27.53,;30.09,-28.3,;28.75,-27.53,;28.75,-25.99,;27.42,-25.22,;26.09,-25.99,;26.09,-27.53,;24.76,-25.21,;24.76,-23.67,;23.42,-22.91,;23.42,-21.37,;22.09,-20.59,;20.75,-21.37,;20.75,-22.91,;22.09,-23.67,;23.43,-25.98,;23.44,-27.52,;24.77,-28.29,;22.11,-28.29,;20.77,-27.52,;19.44,-28.29,;18.04,-27.66,;17,-28.81,;17.77,-30.14,;19.27,-29.82,;22.09,-29.83,;23.43,-30.59,;24.77,-29.82,;23.43,-32.13,;22.1,-32.9,;22.1,-34.44,;20.76,-35.2,;20.76,-36.74,;22.09,-37.51,;22.09,-39.04,;23.43,-36.73,;23.42,-35.19,;24.76,-32.88,;26.09,-33.65,;30.09,-25.22,;31.42,-25.99,;30.09,-23.68,)|
BDBM50301147 CC(=O)NC(=Cc1ccccc1)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@H](CCCN=C(N)N)C(N)=O |r,w:5.5,wU:15.15,36.38,wD:25.26,(11.42,-50.05,;10.09,-49.3,;10.08,-47.76,;8.76,-50.07,;7.44,-49.31,;6.1,-50.09,;6.1,-51.63,;4.76,-52.39,;4.76,-53.92,;6.1,-54.7,;7.44,-53.92,;7.43,-52.38,;7.44,-47.77,;8.77,-47.01,;6.1,-47.02,;6.11,-45.48,;4.77,-44.71,;3.44,-45.48,;2.04,-44.85,;1.01,-46,;1.77,-47.33,;3.28,-47.01,;7.44,-44.71,;8.78,-45.48,;7.43,-43.17,;8.76,-42.4,;8.76,-40.86,;7.43,-40.09,;7.43,-38.55,;6.1,-37.78,;4.76,-38.55,;4.76,-40.09,;6.1,-40.86,;10.09,-43.17,;10.09,-44.71,;11.43,-42.4,;12.76,-43.18,;12.76,-44.72,;14.1,-45.48,;15.42,-44.72,;16.76,-45.47,;18.1,-44.71,;19.44,-45.46,;18.11,-43.16,;14.1,-42.4,;15.42,-43.18,;14.1,-40.86,)|
BDBM50301148 NC(N)=NCCC[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)C\C=C\c1ccccc1)C(N)=O |r,wU:22.30,7.7,wD:11.19,(10.27,-4.36,;8.93,-3.61,;8.94,-2.07,;7.59,-4.37,;6.25,-3.62,;4.93,-4.38,;3.59,-3.62,;3.59,-2.08,;2.26,-1.31,;.92,-2.07,;.92,-3.61,;-.41,-1.3,;-.41,.24,;-1.74,1.01,;-1.74,2.55,;-3.07,3.32,;-4.41,2.55,;-4.41,1.01,;-3.07,.24,;-1.74,-2.07,;-1.73,-3.61,;-.39,-4.38,;-3.06,-4.38,;-4.4,-3.61,;-5.73,-4.38,;-7.13,-3.75,;-8.16,-4.9,;-7.4,-6.23,;-5.89,-5.91,;-3.07,-5.92,;-1.73,-6.67,;-.4,-5.91,;-1.73,-8.21,;-3.07,-8.99,;-3.07,-10.53,;-4.4,-11.29,;-5.73,-10.52,;-7.06,-11.29,;-7.06,-12.83,;-5.72,-13.6,;-4.4,-12.82,;4.93,-1.31,;6.25,-2.08,;4.93,.23,)|
BDBM50301149 NC(N)=NCCC[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CCC(=O)c1ccccc1)C(N)=O |r,wU:22.30,7.7,wD:11.19,(33.24,-4.13,;31.9,-3.38,;31.91,-1.83,;30.56,-4.14,;29.22,-3.39,;27.89,-4.15,;26.56,-3.39,;26.56,-1.85,;25.22,-1.07,;23.89,-1.84,;23.89,-3.38,;22.56,-1.07,;22.56,.47,;21.22,1.24,;21.22,2.78,;19.89,3.55,;18.56,2.78,;18.56,1.24,;19.89,.47,;21.23,-1.84,;21.24,-3.38,;22.57,-4.15,;19.91,-4.15,;18.57,-3.38,;17.24,-4.15,;15.84,-3.52,;14.8,-4.67,;15.57,-6,;17.08,-5.68,;19.89,-5.69,;21.23,-6.44,;22.57,-5.68,;21.23,-7.98,;19.9,-8.76,;19.9,-10.3,;21.23,-11.06,;18.57,-11.06,;17.24,-10.29,;15.91,-11.05,;15.91,-12.6,;17.25,-13.37,;18.57,-12.59,;27.89,-1.07,;29.22,-1.85,;27.89,.47,)|
BDBM50301150 NC(N)=NCCC[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CCC(=O)c1ccc(F)cc1)C(N)=O |r,wU:22.30,7.7,wD:11.19,(11.74,-24.83,;10.41,-24.06,;10.42,-22.52,;9.07,-24.83,;7.73,-24.07,;6.41,-24.84,;5.07,-24.07,;5.07,-22.53,;3.74,-21.76,;2.4,-22.53,;2.4,-24.07,;1.08,-21.76,;1.08,-20.22,;-.26,-19.45,;-.26,-17.91,;-1.59,-17.14,;-2.92,-17.91,;-2.92,-19.45,;-1.59,-20.22,;-.26,-22.53,;-.25,-24.07,;1.09,-24.83,;-1.58,-24.83,;-2.91,-24.07,;-4.24,-24.83,;-5.65,-24.2,;-6.68,-25.36,;-5.91,-26.69,;-4.4,-26.36,;-1.59,-26.37,;-.25,-27.13,;1.08,-26.36,;-.25,-28.67,;-1.59,-29.44,;-1.59,-30.98,;-.25,-31.75,;-2.92,-31.75,;-4.25,-30.97,;-5.58,-31.75,;-5.58,-33.29,;-6.92,-34.06,;-4.24,-34.05,;-2.91,-33.28,;6.41,-21.76,;7.73,-22.53,;6.41,-20.22,)|
BDBM50301151 NC(N)=NCCC[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)C=CC=Cc1ccccc1)C(N)=O |r,w:32.33,34.35,wU:22.30,7.7,wD:11.19,(35.06,-24.82,;33.72,-24.06,;33.73,-22.52,;32.39,-24.83,;31.05,-24.07,;29.73,-24.84,;28.39,-24.07,;28.39,-22.53,;27.06,-21.76,;25.72,-22.53,;25.72,-24.07,;24.39,-21.75,;24.39,-20.21,;23.06,-19.45,;23.06,-17.91,;21.73,-17.13,;20.39,-17.91,;20.39,-19.45,;21.73,-20.21,;23.06,-22.52,;23.07,-24.06,;24.41,-24.83,;21.74,-24.83,;20.4,-24.06,;19.07,-24.83,;17.67,-24.2,;16.64,-25.35,;17.4,-26.68,;18.91,-26.36,;21.73,-26.37,;23.06,-27.13,;24.4,-26.36,;23.06,-28.67,;21.73,-29.44,;21.73,-30.98,;20.39,-31.75,;20.4,-33.28,;19.08,-34.04,;19.09,-35.57,;20.41,-36.34,;21.74,-35.56,;21.73,-34.03,;29.73,-21.76,;31.05,-22.53,;29.73,-20.22,)|
BDBM50301152 NC(N)=NCCC[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)C=CC=Cc1ccc2OCOc2c1)C(N)=O |r,w:32.33,34.35,wU:22.30,7.7,wD:11.19,(19.61,-41.63,;18.27,-40.87,;18.28,-39.33,;16.93,-41.64,;15.59,-40.88,;14.27,-41.65,;12.93,-40.88,;12.93,-39.34,;11.6,-38.57,;10.27,-39.34,;10.27,-40.88,;8.94,-38.56,;8.94,-37.02,;7.6,-36.25,;7.6,-34.71,;6.27,-33.94,;4.93,-34.71,;4.93,-36.25,;6.27,-37.02,;7.6,-39.33,;7.61,-40.87,;8.95,-41.64,;6.28,-41.64,;4.95,-40.87,;3.62,-41.64,;2.22,-41.01,;1.18,-42.16,;1.95,-43.49,;3.45,-43.17,;6.27,-43.18,;7.61,-43.94,;8.94,-43.17,;7.61,-45.48,;6.27,-46.25,;6.27,-47.79,;4.94,-48.56,;4.94,-50.09,;6.27,-50.84,;6.28,-52.37,;4.95,-53.15,;4.64,-54.65,;3.11,-54.81,;2.49,-53.41,;3.62,-52.38,;3.63,-50.86,;14.27,-38.57,;15.6,-39.34,;14.27,-37.03,)|
BDBM50301128 COc1ccc(C=CC(=O)N[C@@H](Cc2cnc[nH]2)C(=O)N[C@H](Cc2ccccc2)C(=O)N[C@H](CCCN=C(N)N)C(N)=O)cc1 |r,w:7.7,wU:11.10,32.33,wD:21.21,(27.52,-11.06,;26.19,-10.29,;24.86,-11.06,;24.86,-12.6,;23.52,-13.37,;22.19,-12.59,;20.86,-13.36,;19.53,-12.59,;19.53,-11.05,;20.86,-10.28,;18.19,-10.29,;18.19,-8.75,;16.85,-7.98,;15.52,-8.75,;14.12,-8.12,;13.08,-9.27,;13.85,-10.59,;15.36,-10.28,;19.52,-7.98,;20.85,-8.75,;19.51,-6.44,;20.85,-5.67,;20.85,-4.13,;19.51,-3.36,;19.51,-1.82,;18.18,-1.05,;16.84,-1.82,;16.84,-3.36,;18.18,-4.13,;22.17,-6.44,;22.17,-7.98,;23.51,-5.67,;24.84,-6.44,;24.84,-7.98,;26.18,-8.75,;27.51,-7.98,;28.85,-8.74,;30.18,-7.97,;31.51,-8.74,;30.18,-6.43,;26.18,-5.67,;27.51,-6.44,;26.18,-4.13,;22.19,-11.07,;23.51,-10.29,)|
BDBM50301153 NC(N)=NCCC[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CCCCc1ccc2OCOc2c1)C(N)=O |r,wU:22.30,7.7,wD:11.19,(11.19,-6.85,;9.85,-6.09,;9.86,-4.54,;8.51,-6.86,;7.17,-6.1,;5.85,-6.87,;4.51,-6.1,;4.51,-4.56,;3.18,-3.79,;1.85,-4.56,;1.85,-6.1,;.52,-3.78,;.52,-2.24,;-.82,-1.47,;-.82,.07,;-2.15,.84,;-3.49,.07,;-3.49,-1.47,;-2.15,-2.24,;-.82,-4.55,;-.81,-6.09,;.53,-6.86,;-2.14,-6.86,;-3.47,-6.09,;-4.8,-6.86,;-6.2,-6.23,;-7.24,-7.38,;-6.47,-8.71,;-4.97,-8.39,;-2.15,-8.4,;-.81,-9.16,;.52,-8.39,;-.81,-10.7,;-2.15,-11.47,;-2.15,-13.01,;-3.48,-13.78,;-3.48,-15.31,;-2.15,-16.06,;-2.14,-17.59,;-3.47,-18.37,;-3.78,-19.87,;-5.31,-20.03,;-5.93,-18.63,;-4.8,-17.6,;-4.79,-16.08,;5.85,-3.79,;7.18,-4.56,;5.85,-2.25,)|
BDBM50301154 NC(N)=NCCC[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)c1ccc2OCOc2c1)C(N)=O |r,wU:22.30,7.7,wD:11.19,(33.59,-9.4,;32.25,-8.63,;32.26,-7.09,;30.92,-9.4,;29.57,-8.64,;28.25,-9.41,;26.92,-8.64,;26.92,-7.1,;25.58,-6.33,;24.25,-7.1,;24.25,-8.64,;22.92,-6.33,;22.92,-4.79,;21.58,-4.02,;21.58,-2.48,;20.25,-1.71,;18.92,-2.48,;18.92,-4.02,;20.25,-4.79,;21.59,-7.1,;21.6,-8.64,;22.93,-9.4,;20.27,-9.4,;18.93,-8.64,;17.6,-9.4,;16.2,-8.78,;15.16,-9.93,;15.93,-11.25,;17.44,-10.93,;20.25,-10.94,;21.59,-11.71,;22.93,-10.93,;21.59,-13.25,;22.92,-14.01,;22.92,-15.54,;21.59,-16.32,;21.27,-17.83,;19.74,-18,;19.11,-16.59,;20.25,-15.56,;20.24,-14.01,;28.25,-6.33,;29.58,-7.1,;28.25,-4.79,)|
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BDBM50301156 NC(N)=NCCC[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CCCc1ccccc1)C(N)=O |r,wU:22.30,7.7,wD:11.19,(44.12,-6.81,;42.78,-6.03,;42.79,-4.5,;41.46,-6.82,;40.13,-6.04,;38.8,-6.82,;37.46,-6.04,;37.46,-4.51,;36.14,-3.73,;34.81,-4.5,;34.81,-6.04,;33.48,-3.73,;33.48,-2.19,;32.14,-1.42,;32.14,.11,;30.82,.89,;29.48,.11,;29.48,-1.42,;30.82,-2.19,;32.14,-4.49,;32.15,-6.03,;33.49,-6.81,;30.83,-6.81,;29.49,-6.03,;28.16,-6.81,;26.76,-6.18,;25.73,-7.33,;26.49,-8.65,;28,-8.34,;30.81,-8.35,;32.15,-9.11,;33.48,-8.34,;32.15,-10.64,;33.48,-11.42,;33.48,-12.95,;34.81,-13.73,;34.81,-15.27,;36.14,-16.04,;37.48,-15.27,;37.48,-13.72,;36.14,-12.95,;38.8,-3.73,;40.13,-4.5,;38.8,-2.2,)|
BDBM50301129 NC(N)=NCCC[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)C=Cc1cccc(Cl)c1)C(N)=O |r,w:32.33,wU:22.30,7.7,wD:11.19,(35.35,-6.6,;34.01,-5.84,;34.02,-4.29,;32.68,-6.61,;31.34,-5.84,;30.01,-6.61,;28.68,-5.84,;28.68,-4.3,;27.34,-3.53,;26.01,-4.3,;26.01,-5.84,;24.68,-3.53,;24.68,-1.99,;23.34,-1.22,;23.34,.32,;22.02,1.09,;20.68,.32,;20.68,-1.22,;22.02,-1.99,;23.35,-4.3,;23.35,-5.84,;24.69,-6.61,;22.02,-6.61,;20.69,-5.84,;19.35,-6.61,;17.95,-5.98,;16.92,-7.13,;17.69,-8.46,;19.2,-8.14,;22.01,-8.15,;23.35,-8.91,;24.68,-8.14,;23.35,-10.45,;22.02,-11.22,;22.02,-12.76,;20.68,-13.52,;20.68,-15.06,;22.01,-15.83,;23.35,-15.05,;24.68,-15.82,;23.34,-13.52,;30.01,-3.53,;31.35,-4.3,;30.01,-1.99,)|
BDBM50326435 CC(C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CS)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CS)NC(=O)[C@H](CS)NC(=O)[C@H](CCCCN)NC(=O)C[C@@H]1NC(=O)[C@H](CCCN=C(N)N)NC(=O)CNC(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc2ccc(O)cc2)NC1=O)C(N)=O |r,wU:127.132,112.117,135.140,108.112,14.22,7.6,3.3,98.108,45.55,67.78,86.93,25.28,56.67,wD:92.99,31.44,77.87,(57.47,-18.55,;56.13,-17.78,;54.8,-18.56,;56.13,-16.24,;57.46,-15.46,;57.45,-13.46,;56.12,-12.7,;58.79,-12.68,;60.09,-13.53,;61.21,-12.26,;60.34,-10.82,;58.7,-11.18,;56.97,-10.17,;55.63,-10.95,;56.97,-8.63,;58.3,-7.87,;58.3,-6.33,;59.64,-5.54,;59.65,-4,;58.31,-3.23,;56.97,-4,;58.31,-1.69,;55.63,-7.87,;55.63,-6.32,;56.97,-5.54,;54.3,-5.54,;54.3,-4,;55.63,-3.23,;52.97,-6.32,;51.64,-5.54,;51.64,-4,;50.31,-6.32,;50.31,-7.86,;51.64,-8.63,;52.89,-7.73,;54.13,-8.64,;53.66,-10.1,;54.43,-11.44,;53.64,-12.78,;52.1,-12.78,;51.34,-11.43,;52.11,-10.1,;48.97,-5.54,;47.64,-6.32,;47.64,-7.87,;46.31,-5.54,;46.31,-4,;47.64,-3.24,;47.64,-1.7,;48.98,-.93,;48.98,.61,;47.65,1.39,;50.33,1.39,;44.98,-6.31,;43.65,-5.53,;43.65,-3.99,;42.32,-6.31,;42.32,-7.85,;43.65,-8.62,;44.98,-7.86,;46.32,-8.62,;46.31,-10.17,;44.98,-10.94,;43.64,-10.16,;40.98,-5.54,;39.64,-6.32,;39.64,-7.86,;38.3,-5.54,;38.3,-4,;39.64,-3.23,;41.1,-3.75,;42.04,-2.53,;41.18,-1.25,;39.69,-1.69,;36.96,-6.3,;35.63,-5.52,;35.63,-3.98,;34.3,-6.29,;34.3,-7.84,;32.96,-8.61,;32.96,-10.15,;34.28,-10.91,;31.62,-10.92,;32.96,-5.53,;32.96,-3.99,;34.3,-3.23,;31.63,-3.22,;31.63,-1.68,;32.96,-.9,;30.29,-3.97,;28.94,-3.21,;28.94,-1.67,;27.61,-3.98,;27.61,-5.52,;28.94,-6.29,;26.28,-3.21,;24.96,-4,;24.96,-5.54,;23.62,-3.23,;23.62,-1.69,;24.96,-.91,;24.96,.63,;26.29,1.4,;26.28,2.96,;22.28,-3.99,;21,-3.29,;20.97,-1.82,;19.75,-4.05,;18.46,-3.35,;18.43,-1.88,;17.14,-1.18,;15.89,-1.94,;17.11,.29,;18.36,1.05,;18.32,2.51,;19.57,3.27,;19.54,4.73,;20.79,5.49,;20.75,6.95,;22.07,4.79,;15.82,.99,;15.79,2.46,;17.04,3.22,;14.5,3.16,;13.25,2.4,;13.28,.94,;14.57,.23,;12.03,.17,;10.74,.87,;10.71,2.34,;9.42,3.04,;11.96,3.1,;12.06,-1.3,;14.7,-5.64,;13.46,-6.4,;15.99,-6.34,;16.03,-7.8,;14.78,-8.56,;13.49,-7.86,;12.23,-8.62,;12.27,-10.09,;11.02,-10.85,;13.56,-10.79,;14.81,-10.02,;17.25,-5.57,;17.21,-4.11,;15.93,-3.4,;54.79,-15.47,;53.46,-16.24,;54.78,-13.93,)|
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BDBM50354717 CCCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)CN1CCN(CC(O)=O)CCN(CC(O)=O)CCN(CC(O)=O)CC1)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(C)C)C(N)=O |r,wU:26.29,8.10,4.4,101.104,119.124,135.141,wD:14.23,60.61,69.70,79.81,90.93,131.138,(18.92,-28.29,;18.93,-29.83,;17.6,-30.6,;17.6,-32.14,;16.26,-32.92,;14.93,-32.14,;13.59,-32.92,;13.59,-34.45,;12.25,-32.14,;12.25,-30.6,;13.59,-29.83,;10.92,-32.92,;9.58,-32.14,;9.58,-30.6,;8.25,-32.92,;8.25,-34.45,;9.58,-35.23,;10.91,-34.46,;12.24,-35.22,;12.24,-36.77,;13.58,-37.54,;10.91,-37.54,;9.58,-36.76,;6.92,-32.14,;5.57,-32.92,;5.57,-34.45,;4.24,-32.14,;4.24,-30.6,;2.91,-29.83,;2.91,-32.92,;1.57,-32.15,;1.57,-30.61,;.24,-32.92,;-1.09,-32.16,;.38,-31.8,;.38,-30.27,;-1.12,-29.93,;-.04,-28.83,;-.45,-27.35,;-1.93,-26.96,;.64,-26.26,;-1.48,-28.45,;-3.03,-28.45,;-3.37,-29.93,;-4.47,-28.83,;-5.96,-29.23,;-7.04,-28.15,;-6.35,-30.72,;-4.84,-30.29,;-4.83,-31.81,;-3.32,-32.14,;-4.42,-33.23,;-4.03,-34.72,;-2.55,-35.12,;-5.12,-35.8,;-2.97,-33.65,;-1.43,-33.65,;16.26,-34.45,;14.93,-35.23,;17.6,-35.23,;17.6,-36.77,;16.26,-37.54,;16.26,-39.08,;14.93,-39.86,;13.59,-39.08,;14.93,-41.39,;18.93,-37.54,;20.27,-36.77,;18.93,-39.08,;20.27,-39.86,;20.27,-41.39,;18.93,-42.17,;18.77,-43.7,;17.27,-44.02,;16.5,-42.69,;17.53,-41.54,;21.6,-39.08,;21.6,-37.54,;22.94,-39.86,;24.27,-39.08,;24.27,-37.54,;25.61,-36.77,;26.94,-37.54,;28.28,-36.76,;28.28,-35.23,;26.94,-34.45,;25.61,-35.23,;25.61,-39.86,;25.61,-41.39,;26.95,-39.08,;28.28,-39.86,;28.28,-41.39,;29.62,-42.17,;29.62,-43.71,;30.96,-44.48,;30.96,-46.02,;29.62,-46.8,;32.29,-46.8,;29.62,-39.08,;29.62,-37.54,;30.96,-39.86,;32.29,-39.08,;32.29,-37.54,;33.63,-36.77,;35.03,-37.39,;36.07,-36.25,;35.3,-34.91,;35.78,-33.45,;34.75,-32.3,;33.24,-32.62,;32.76,-34.09,;33.79,-35.23,;33.63,-39.86,;33.63,-41.39,;34.97,-39.08,;36.3,-39.86,;37.63,-39.08,;37.63,-37.54,;38.97,-39.86,;40.3,-39.08,;40.3,-37.54,;38.97,-36.77,;38.97,-35.23,;40.3,-34.45,;40.3,-32.92,;41.64,-39.86,;42.98,-39.08,;41.64,-41.39,;40.39,-42.31,;40.87,-43.77,;42.41,-43.77,;42.89,-42.31,;44.19,-41.48,;44.2,-39.94,;45.52,-42.26,;46.86,-41.49,;46.87,-39.95,;48.21,-39.2,;45.54,-39.17,;48.19,-42.28,;48.17,-43.82,;49.53,-41.52,)|
BDBM50354718 CCCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NCCCCCCN=[N+]=[N-])C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(C)C)C(N)=O |r,wU:26.29,8.10,4.4,83.85,101.105,117.122,wD:14.23,42.42,51.51,61.62,72.74,113.119,(18.25,-8.83,;18.25,-10.37,;16.92,-11.14,;16.92,-12.68,;15.59,-13.46,;14.26,-12.68,;12.92,-13.46,;12.92,-14.99,;11.58,-12.68,;11.58,-11.14,;12.92,-10.37,;10.25,-13.46,;8.92,-12.68,;8.92,-11.14,;7.58,-13.46,;7.58,-14.99,;8.92,-15.77,;10.25,-15,;11.57,-15.76,;11.57,-17.31,;12.9,-18.08,;10.24,-18.08,;8.92,-17.3,;6.25,-12.68,;4.91,-13.46,;4.91,-14.99,;3.58,-12.68,;3.58,-11.14,;2.25,-10.37,;2.25,-13.46,;.91,-12.69,;-.41,-13.46,;-1.75,-12.7,;-3.08,-13.47,;-4.4,-12.71,;-5.73,-13.48,;-7.06,-12.72,;-8.6,-12.71,;-10.14,-12.7,;15.59,-14.99,;14.26,-15.77,;16.92,-15.77,;16.92,-17.3,;15.59,-18.08,;15.59,-19.61,;14.26,-20.39,;12.92,-19.61,;14.26,-21.93,;18.25,-18.08,;19.59,-17.3,;18.25,-19.61,;19.59,-20.39,;19.59,-21.93,;18.25,-22.7,;18.1,-24.23,;16.59,-24.55,;15.82,-23.22,;16.86,-22.07,;20.93,-19.61,;20.93,-18.08,;22.26,-20.39,;23.59,-19.61,;23.59,-18.08,;24.93,-17.3,;26.26,-18.08,;27.59,-17.3,;27.59,-15.77,;26.26,-14.99,;24.93,-15.77,;24.93,-20.39,;24.93,-21.93,;26.27,-19.61,;27.6,-20.39,;27.6,-21.93,;28.93,-22.7,;28.93,-24.24,;30.27,-25.01,;30.27,-26.55,;28.93,-27.33,;31.6,-27.33,;28.93,-19.61,;28.93,-18.08,;30.27,-20.39,;31.6,-19.61,;31.6,-18.08,;32.94,-17.3,;34.34,-17.93,;35.38,-16.79,;34.61,-15.45,;35.09,-13.99,;34.06,-12.84,;32.55,-13.16,;32.07,-14.62,;33.1,-15.77,;32.94,-20.39,;32.94,-21.93,;34.28,-19.61,;35.61,-20.39,;36.94,-19.61,;36.94,-18.08,;38.28,-20.39,;39.61,-19.61,;39.61,-18.08,;38.28,-17.3,;38.28,-15.77,;39.61,-14.99,;39.61,-13.46,;40.95,-20.39,;42.28,-19.61,;40.95,-21.93,;39.7,-22.84,;40.17,-24.3,;41.71,-24.3,;42.2,-22.84,;43.49,-22.01,;43.5,-20.47,;44.82,-22.79,;46.16,-22.03,;46.17,-20.49,;47.51,-19.73,;44.84,-19.71,;47.49,-22.81,;47.47,-24.35,;48.83,-22.05,)|
BDBM50354719 CCCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](N)CO)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(C)C)C(N)=O |r,wU:26.27,8.10,4.4,74.76,92.96,108.113,wD:14.23,33.33,42.42,52.53,63.65,104.110,(10.67,7.94,;10.68,6.4,;9.35,5.63,;9.35,4.09,;8.01,3.31,;6.68,4.09,;5.35,3.31,;5.35,1.78,;4.01,4.09,;4.01,5.63,;5.35,6.4,;2.68,3.31,;1.35,4.09,;1.35,5.63,;.01,3.31,;.01,1.78,;1.35,1,;2.67,1.77,;4,1.01,;4,-.54,;5.33,-1.31,;2.67,-1.31,;1.35,-.53,;-1.32,4.09,;-2.66,3.31,;-2.66,1.78,;-3.99,4.09,;-5.32,3.31,;-3.99,5.63,;-5.32,6.4,;8.01,1.78,;6.68,1,;9.35,1,;9.35,-.53,;8.01,-1.31,;8.01,-2.84,;6.68,-3.62,;5.35,-2.84,;6.68,-5.15,;10.68,-1.31,;12.02,-.53,;10.68,-2.84,;12.02,-3.62,;12.02,-5.15,;10.68,-5.93,;10.52,-7.46,;9.02,-7.78,;8.25,-6.45,;9.28,-5.3,;13.35,-2.84,;13.35,-1.31,;14.68,-3.62,;16.02,-2.84,;16.02,-1.31,;17.36,-.53,;18.68,-1.3,;20.02,-.53,;20.02,1,;18.68,1.78,;17.36,1,;17.36,-3.62,;17.36,-5.15,;18.69,-2.84,;20.02,-3.62,;20.02,-5.15,;21.35,-5.93,;21.35,-7.46,;22.69,-8.24,;22.69,-9.77,;21.35,-10.55,;24.02,-10.55,;21.35,-2.84,;21.35,-1.31,;22.69,-3.62,;24.02,-2.84,;24.02,-1.31,;25.36,-.53,;26.76,-1.16,;27.79,-.02,;27.03,1.32,;27.5,2.78,;26.48,3.93,;24.97,3.61,;24.49,2.15,;25.52,1,;25.36,-3.62,;25.36,-5.15,;26.7,-2.84,;28.03,-3.62,;29.36,-2.84,;29.36,-1.31,;30.69,-3.62,;32.03,-2.84,;32.03,-1.31,;30.69,-.53,;30.69,1,;32.03,1.78,;32.03,3.31,;33.37,-3.62,;34.7,-2.84,;33.37,-5.15,;32.11,-6.07,;32.59,-7.53,;34.13,-7.53,;34.61,-6.06,;35.91,-5.24,;35.92,-3.7,;37.24,-6.01,;38.58,-5.25,;38.58,-3.72,;39.92,-2.96,;37.26,-2.94,;39.9,-6.04,;39.89,-7.58,;41.24,-5.28,)|
BDBM50374673 NC(=O)CN1CCNC(=O)CCC(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@H](Cc2ccccc2)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C1=O |wU:26.27,wD:15.15,48.50,37.39,(3.62,2.67,;2.29,1.89,;.96,2.65,;2.3,.35,;.97,-.43,;.99,1.1,;-.35,1.87,;-.35,3.41,;-1.68,4.18,;-1.68,5.72,;-3.01,3.41,;-3.01,1.87,;-4.35,1.1,;-5.68,1.87,;-4.35,-.44,;-5.68,-1.21,;-7.01,-.44,;-8.35,-1.21,;-9.68,-.43,;-11.01,-1.19,;-11.01,-2.74,;-9.67,-3.51,;-8.34,-2.73,;-5.68,-2.75,;-7.01,-3.52,;-4.35,-3.52,;-4.35,-5.06,;-5.68,-5.83,;-5.68,-7.37,;-7.02,-8.13,;-7.02,-9.67,;-5.69,-10.44,;-4.35,-9.66,;-4.36,-8.12,;-3.01,-5.83,;-3.01,-7.37,;-1.68,-5.06,;-.35,-5.83,;-.35,-7.37,;.99,-8.14,;.99,-9.68,;2.32,-10.45,;2.32,-11.99,;3.65,-12.76,;.99,-12.76,;.99,-5.06,;2.32,-5.83,;.99,-3.52,;2.32,-2.75,;3.65,-3.52,;4.99,-2.75,;5.16,-1.2,;6.66,-.89,;7.42,-2.23,;8.92,-2.56,;9.39,-4.03,;8.35,-5.17,;6.85,-4.84,;6.38,-3.37,;2.32,-1.21,;3.65,-.44,)|
BDBM50374669 NC(=O)CN1CCNC(=O)CCCC(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@H](Cc2ccccc2)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C1=O |wU:27.28,wD:16.16,49.51,38.40,(13.37,-36.69,;12.04,-35.93,;12.04,-34.39,;10.72,-36.69,;10.72,-38.22,;8.06,-38.19,;8.05,-36.66,;9.38,-35.89,;9.37,-34.36,;10.7,-33.58,;8.04,-33.6,;6.71,-34.37,;6.71,-35.91,;5.38,-36.68,;4.04,-35.91,;5.38,-38.22,;4.04,-38.99,;2.71,-38.22,;1.37,-38.99,;.04,-38.21,;-1.29,-38.98,;-1.29,-40.52,;.05,-41.29,;1.38,-40.52,;4.04,-40.53,;2.71,-41.3,;5.38,-41.3,;5.38,-42.84,;4.04,-43.61,;4.04,-45.15,;2.7,-45.91,;2.7,-47.45,;4.04,-48.22,;5.38,-47.44,;5.37,-45.91,;6.71,-43.61,;6.71,-45.15,;8.04,-42.84,;9.38,-43.61,;9.38,-45.15,;10.71,-45.92,;10.71,-47.46,;12.05,-48.23,;12.05,-49.77,;13.38,-50.54,;10.71,-50.54,;10.71,-42.84,;12.05,-43.61,;10.71,-41.3,;12.05,-40.53,;13.38,-41.3,;14.72,-40.53,;14.88,-38.98,;16.39,-38.67,;17.14,-40.02,;18.64,-40.35,;19.12,-41.81,;18.08,-42.95,;16.57,-42.62,;16.11,-41.15,;12.05,-38.99,;13.38,-38.22,)|
BDBM50374114 Clc1ccc2c(c1)N(Cc1ccc3ccccc3c1)C(=O)C(Cc1c[nH]c3ccccc13)NC2=O |w:21.24|
BDBM50374115 Clc1ccc2c(c1)N(Cc1ccc3ccccc3c1)C(=O)C(Cc1ccccc1)NC2=O |w:21.24|
BDBM50374116 NCCCCC1NC(=O)c2ccc(Cl)cc2N(Cc2ccccc2)C1=O |w:5.4|
BDBM50374117 O=C1NC(Cc2ccccc2)C(=O)N(Cc2ccccc2)c2ccccc12 |w:3.3|
BDBM50374119 Cc1cccc2c1N(Cc1ccccc1)C(=O)C(Cc1cn(Cc3ccccc3)c3ccccc13)NC2=O |w:17.19|
BDBM50374121 [#7]\[#6](-[#7])=[#7]\[#6]-[#6]-[#6]-[#6]-1-[#7]-[#6](=O)-c2ccccc2-[#7](-[#6]-c2ccccc2)-[#6]-1=O
BDBM50374122 CCCN1c2ccccc2C(=O)NC(Cc2ccccc2)C1=O |w:13.14|
BDBM50374123 O=C1NC(Cc2ccccc2)C(=O)N(Cc2ccccc2-c2ccccc2)c2ccccc12 |w:3.3|
BDBM50374124 [#7]\[#6](-[#7])=[#7]\[#6]-[#6]-[#6]-[#6]-1-[#7]-[#6](=O)-c2ccc(Cl)cc2-[#7](-[#6]-c2ccccc2)-[#6]-1=O
BDBM50374125 NCCCCC1NC(=O)c2ccc(Cl)cc2N(Cc2ccc3ccccc3c2)C1=O |w:5.4|
BDBM50374670 NC(=O)CN1CCNC(=O)c2ccccc2C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@H](Cc2ccccc2)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C1=O |wU:30.32,wD:52.55,19.20,41.44,(6.67,-17.07,;5.13,-17.07,;4.36,-15.74,;4.37,-18.41,;2.83,-18.41,;2.05,-17.08,;.51,-17.09,;-.25,-18.42,;-1.79,-18.43,;-2.56,-19.76,;-2.57,-17.1,;-1.81,-15.76,;-2.59,-14.43,;-4.14,-14.45,;-4.89,-15.78,;-4.11,-17.1,;-4.87,-18.43,;-6.41,-18.44,;-4.1,-19.76,;-5.43,-20.54,;-6.76,-19.76,;-8.09,-20.54,;-9.42,-19.75,;-10.76,-20.53,;-10.76,-22.07,;-9.41,-22.83,;-8.09,-22.06,;-5.43,-22.08,;-6.76,-22.84,;-4.1,-22.84,;-4.1,-24.38,;-5.43,-25.16,;-5.43,-26.7,;-6.77,-27.46,;-6.77,-28.99,;-5.43,-29.77,;-4.1,-28.99,;-4.1,-27.45,;-2.76,-25.16,;-2.76,-26.7,;-1.42,-24.38,;-.09,-25.16,;-.09,-26.7,;1.24,-27.46,;1.24,-29,;2.58,-29.78,;2.58,-31.32,;3.91,-32.08,;1.24,-32.08,;1.24,-24.38,;2.58,-25.16,;1.24,-22.84,;2.58,-22.08,;3.91,-22.84,;5.24,-22.08,;5.41,-20.53,;6.91,-20.22,;7.67,-21.56,;9.18,-21.89,;9.64,-23.36,;8.6,-24.49,;7.1,-24.16,;6.63,-22.7,;2.06,-19.75,;.52,-19.75,)|
BDBM50374671 NC(=O)CN1CCCNC(=O)CCC(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@H](Cc2ccccc2)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C1=O |wU:27.28,wD:16.16,49.51,38.40,(28.48,-20.35,;27.16,-19.57,;27.17,-18.03,;25.81,-20.32,;25.8,-21.86,;23.64,-21.92,;23.15,-20.32,;24.48,-19.55,;24.48,-18.01,;23.15,-17.24,;23.15,-15.7,;21.81,-18.01,;21.81,-19.55,;20.48,-20.32,;19.15,-19.55,;20.48,-21.86,;19.15,-22.63,;17.81,-21.86,;16.48,-22.63,;15.15,-21.85,;13.82,-22.62,;13.81,-24.16,;15.16,-24.93,;16.48,-24.16,;19.15,-24.17,;17.81,-24.94,;20.48,-24.94,;20.48,-26.48,;19.15,-27.25,;19.15,-28.79,;17.81,-29.56,;17.8,-31.09,;19.14,-31.87,;20.48,-31.09,;20.47,-29.55,;21.81,-27.25,;21.81,-28.79,;23.15,-26.48,;24.48,-27.25,;24.48,-28.79,;25.81,-29.56,;25.81,-31.1,;27.15,-31.87,;27.15,-33.41,;28.48,-34.18,;25.81,-34.18,;25.81,-26.48,;27.15,-27.25,;25.81,-24.94,;27.15,-24.17,;28.48,-24.94,;29.82,-24.17,;29.98,-22.63,;31.49,-22.31,;32.24,-23.66,;33.75,-23.99,;34.21,-25.46,;33.18,-26.59,;31.67,-26.26,;31.21,-24.8,;27.15,-22.63,;28.48,-21.86,)|
BDBM50374672 NC(=O)CN1CCCNC(=O)CCCCC(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@H](Cc2ccccc2)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C1=O |wU:29.30,wD:51.53,18.18,40.42,(30.64,-.68,;29.3,.09,;29.31,1.63,;27.97,-.68,;26.64,.1,;26.64,1.64,;27.98,2.4,;27.98,3.94,;25.3,3.95,;23.96,4.72,;23.96,6.26,;22.63,3.95,;21.3,4.72,;19.96,3.95,;19.96,2.41,;18.63,1.64,;17.29,2.41,;18.63,.1,;17.29,-.67,;15.96,.1,;14.63,-.67,;13.3,.11,;11.96,-.66,;11.96,-2.2,;13.31,-2.97,;14.63,-2.2,;17.29,-2.21,;15.96,-2.98,;18.63,-2.98,;18.63,-4.52,;17.29,-5.29,;17.29,-6.83,;15.95,-7.59,;15.95,-9.13,;17.29,-9.9,;18.63,-9.12,;18.62,-7.59,;19.96,-5.29,;19.96,-6.83,;21.3,-4.52,;22.63,-5.29,;22.63,-6.83,;23.96,-7.6,;23.96,-9.14,;25.3,-9.91,;25.3,-11.45,;26.63,-12.22,;23.96,-12.22,;23.96,-4.52,;25.3,-5.29,;23.96,-2.98,;25.3,-2.21,;26.63,-2.98,;28.17,-2.98,;29.08,-1.72,;30.54,-2.19,;30.53,-3.74,;31.67,-4.77,;31.35,-6.28,;29.88,-6.75,;28.74,-5.71,;29.07,-4.21,;25.3,-.67,;23.97,.1,)|
BDBM50404043 NCc1ccc(NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)NCc2ccccc2)cc1
BDBM50410393 C[C@@H]1NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H](CC(=O)N([C@@H](Cc2ccc(O)cc2)C(N)=O)C(C)(NC(=O)[C@@H](Cc2ccccc2)NC1=O)C(O)=O)NC(=O)[C@@H](N)Cc1ccc(O)cc1
BDBM50410394 C[C@@H]1NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc2ccc(cc2)-c2ccccc2)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H](CC(=O)N([C@@H](Cc2ccc(O)cc2)C(N)=O)C(C)(NC(=O)[C@H](Cc2ccccc2)NC1=O)C(O)=O)NC(=O)[C@@H](N)Cc1ccc(O)cc1
BDBM50410395 C[C@@H]1NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H](CC(=O)N([C@@H](Cc2ccc(O)cc2)C(N)=O)C(C)(NC(=O)[C@H](Cc2ccccc2)NC1=O)C(O)=O)NC(=O)[C@@H](N)Cc1ccc(O)cc1
BDBM50410396 C[C@@H]1NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H](CC(=O)N([C@@H](Cc2ccc(O)cc2)C(N)=O)C(C)(NC(=O)[C@H](Cc2ccccc2)NC1=O)C(O)=O)NC(=O)[C@@H](N)Cc1ccc(O)cc1
BDBM50410397 C[C@@H]1NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H](CC(=O)N([C@@H](Cc2ccc(O)cc2)C(N)=O)C(C)(NC(=O)[C@H](Cc2ccccc2)NC1=O)C(O)=O)NC(=O)[C@@H](N)Cc1ccc(O)cc1
BDBM50410398 C[C@@H]1NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](C)NC(=O)[C@H](CC(=O)N([C@@H](Cc2ccc(O)cc2)C(N)=O)C(C)(NC(=O)[C@H](Cc2ccccc2)NC1=O)C(O)=O)NC(=O)[C@@H](N)Cc1ccc(O)cc1
BDBM50410399 CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CC(=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2cnc[nH]2)NC1=O
BDBM50410400 C[C@@H]1NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](Cc2cccc3ccccc23)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H](CC(=O)N([C@@H](Cc2ccc(O)cc2)C(N)=O)C(C)(NC(=O)[C@H](Cc2ccccc2)NC1=O)C(O)=O)NC(=O)[C@@H](N)Cc1ccc(O)cc1
BDBM50410401 C[C@@H]1NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](Cc2ccc(cc2)-c2ccccc2)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H](CC(=O)N([C@@H](Cc2ccc(O)cc2)C(N)=O)C(C)(NC(=O)[C@H](Cc2ccccc2)NC1=O)C(O)=O)NC(=O)[C@@H](N)Cc1ccc(O)cc1
BDBM50410402 C[C@@H]1NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H](CC(=O)N([C@@H](Cc2ccc(O)cc2)C(N)=O)C(C)(NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](C)NC(=O)[C@H](CC(N)=O)NC1=O)C(O)=O)NC(=O)[C@@H](N)Cc1ccc(O)cc1
BDBM50410403 C[C@@H]1NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H](CC(=O)N([C@@H](Cc2ccc(O)cc2)C(N)=O)C(C)(NC(=O)[C@H](Cc2ccccc2)NC1=O)C(O)=O)NC(=O)[C@@H](N)Cc1ccc(O)cc1
BDBM50410404 C[C@@H]1NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H]2Cc3ccccc3CN2C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H](CC(=O)N([C@@H](Cc2ccc(O)cc2)C(N)=O)C(C)(NC(=O)[C@H](Cc2ccccc2)NC1=O)C(O)=O)NC(=O)[C@@H](N)Cc1ccc(O)cc1
BDBM50410405 C[C@@H]1NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H](CC(=O)N([C@@H](Cc2ccc(O)cc2)C(N)=O)C(C)(NC(=O)[C@H](Cc2ccccc2)NC1=O)C(O)=O)NC(=O)[C@@H](N)Cc1ccc(O)cc1
BDBM50410406 C[C@@H]1NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](C)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H](CC(=O)N([C@@H](Cc2ccc(O)cc2)C(N)=O)C(C)(NC(=O)[C@H](Cc2ccccc2)NC1=O)C(O)=O)NC(=O)[C@@H](N)Cc1ccc(O)cc1
BDBM50410407 C[C@@H]1NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)C2(CCc3ccccc3C2)NC(=O)[C@H](CC(=O)N([C@@H](Cc2ccc(O)cc2)C(N)=O)C(C)(NC(=O)[C@H](Cc2ccccc2)NC1=O)C(O)=O)NC(=O)[C@@H](N)Cc1ccc(O)cc1
BDBM50410408 C[C@@H]1NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H](CC(=O)N([C@@H](Cc2ccc(O)cc2)C(N)=O)C(C)(NC(=O)[C@H](Cc2ccccc2)NC1=O)C(O)=O)NC(=O)[C@@H](N)Cc1ccc(O)cc1
BDBM50410409 C[C@@H]1NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](Cc2ccc(I)cc2)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H](CC(=O)N([C@@H](Cc2ccc(O)cc2)C(N)=O)C(C)(NC(=O)[C@H](Cc2ccccc2)NC1=O)C(O)=O)NC(=O)[C@@H](N)Cc1ccc(O)cc1
BDBM50410410 CCCC[C@@H](NC(C)=O)C(=O)N[C@@H]1CC(=O)NCCCC[C@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](Cc2cnc[nH]2)NC1=O)C(N)=O
BDBM50410411 C[C@@H]1NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H](CC(=O)N([C@@H](Cc2ccc(O)cc2)C(N)=O)C(C)(NC(=O)[C@H](Cc2ccccc2)NC1=O)C(O)=O)NC(=O)[C@@H](N)Cc1ccc(O)cc1
BDBM50410412 C[C@@H]1NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CC(=O)N([C@@H](Cc2ccc(O)cc2)C(N)=O)C(C)(NC(=O)[C@H](Cc2ccccc2)NC1=O)C(O)=O)NC(=O)[C@@H](N)Cc1ccc(O)cc1
BDBM50410413 C[C@@H]1NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H](CC(=O)N([C@@H](Cc2ccc(O)cc2)C(N)=O)C(C)(NC(=O)[C@H](Cc2ccccc2)NC1=O)C(O)=O)NC(=O)[C@@H](N)Cc1ccc(O)cc1
BDBM50410414 C[C@@H]1NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CC(=O)N([C@@H](Cc2ccc(O)cc2)C(N)=O)C(C)(NC(=O)[C@H](Cc2ccccc2)NC1=O)C(O)=O)NC(=O)[C@@H](N)Cc1ccc(O)cc1
BDBM50410415 C[C@@H]1NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](C)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H](CC(=O)N([C@@H](Cc2ccc(O)cc2)C(N)=O)C(C)(NC(=O)[C@H](Cc2ccccc2)NC1=O)C(O)=O)NC(=O)[C@@H](N)Cc1ccc(O)cc1
BDBM50410195 C[C@@H]1NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CSSC[C@H](NC(=O)[C@H](Cc2ccccc2)NC1=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)NC(=O)[C@@H](N)Cc1ccc(O)cc1
BDBM50409673 CC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N1Cc2ccccc2C[C@@H]1C(N)=O
BDBM50409674 CC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N1Cc2ccccc2C[C@H]1C(N)=O
BDBM50427687 C[C@@H]1NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)N2C[C@H](CCCN=C(N)N)NC(=O)[C@@H](CSCC2=O)NC(=O)[C@@H](Cc2ccc(I)cc2)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H](CSSC[C@H](NC(=O)[C@H](Cc2ccccc2)NC1=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)NC(=O)[C@@H](N)Cc1ccc(O)cc1 |r,wU:91.97,77.82,5.5,58.62,37.38,13.13,wD:106.114,68.110,73.94,46.49,26.28,1.0,(20.58,-54.64,;21.92,-55.4,;23.25,-54.63,;24.59,-55.39,;24.59,-56.93,;25.92,-54.61,;27.26,-55.38,;27.26,-56.92,;28.59,-57.68,;25.93,-57.69,;25.91,-53.08,;27.25,-52.3,;28.58,-53.07,;27.26,-50.74,;28.59,-49.98,;29.88,-50.83,;31.31,-50.3,;32.26,-51.51,;31.41,-52.79,;31.79,-54.27,;30.7,-55.34,;29.21,-54.93,;28.84,-53.45,;29.93,-52.37,;25.92,-49.98,;25.93,-48.45,;24.59,-47.68,;25.93,-46.92,;27.26,-47.69,;28.59,-46.93,;29.92,-47.7,;31.26,-46.94,;32.59,-47.71,;31.26,-45.39,;24.6,-46.16,;23.27,-45.38,;23.28,-43.84,;21.93,-46.14,;21.93,-47.68,;23.26,-48.44,;23.27,-49.99,;24.6,-50.76,;24.61,-52.3,;20.61,-45.37,;19.27,-46.14,;17.92,-45.35,;19.27,-47.68,;17.94,-48.45,;16.58,-47.66,;15.23,-48.45,;13.87,-47.67,;13.87,-46.09,;12.51,-45.3,;15.22,-45.31,;16.59,-46.1,;20.6,-48.45,;15.29,-50.04,;16.56,-50.8,;13.9,-50.81,;12.55,-50.03,;10.98,-50.07,;10.08,-51.36,;8.58,-50.91,;8.54,-49.34,;10.03,-48.82,;13.91,-52.35,;12.58,-53.13,;11.24,-52.36,;12.59,-54.67,;13.92,-55.43,;13.92,-56.97,;15.26,-57.74,;15.27,-59.28,;16.6,-60.04,;17.94,-59.26,;19.27,-60.03,;19.27,-61.57,;20.6,-59.25,;21.93,-60.02,;21.94,-61.56,;20.61,-62.33,;20.62,-63.87,;21.96,-64.63,;23.29,-63.85,;23.28,-62.32,;20.6,-57.72,;21.92,-56.94,;23.26,-57.71,;16.61,-61.58,;17.95,-62.35,;15.28,-62.36,;15.29,-63.89,;16.62,-64.66,;16.63,-66.2,;15.29,-66.97,;15.3,-68.51,;16.64,-69.27,;16.64,-70.81,;17.97,-68.49,;17.96,-66.96,;13.95,-64.67,;13.96,-66.21,;12.62,-63.9,;11.25,-55.44,;11.26,-56.98,;12.6,-57.75,;9.93,-57.75,;8.59,-56.99,;9.93,-59.29,;8.6,-60.07,;7.27,-59.31,;5.93,-60.08,;5.94,-61.62,;4.6,-62.39,;7.27,-62.4,;8.61,-61.62,)|
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BDBM50427693 C[C@@H]1NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)N2C[C@H](CCCN=C(N)N)NC(=O)[C@@H](CSCC2=O)NC(=O)[C@@H](Cc2ccc(cc2)-c2ccccc2)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H](CSSC[C@H](NC(=O)[C@H](Cc2ccccc2)NC1=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)NC(=O)[C@@H](N)Cc1ccc(O)cc1 |r,wU:96.103,82.88,5.5,63.68,37.38,13.13,wD:111.120,73.116,78.100,46.49,26.28,1.0,(24.22,-12.49,;25.56,-13.25,;26.88,-12.48,;28.22,-13.24,;28.23,-14.78,;29.55,-12.46,;30.89,-13.23,;30.89,-14.77,;32.23,-15.53,;29.56,-15.54,;29.55,-10.93,;30.88,-10.15,;32.21,-10.92,;30.9,-8.59,;32.22,-7.83,;33.51,-8.68,;34.95,-8.15,;35.9,-9.36,;35.04,-10.64,;35.42,-12.12,;34.33,-13.19,;32.85,-12.78,;32.48,-11.3,;33.56,-10.22,;29.55,-7.83,;29.56,-6.3,;28.22,-5.53,;29.56,-4.77,;30.9,-5.54,;32.22,-4.78,;33.56,-5.55,;34.89,-4.79,;36.23,-5.56,;34.9,-3.24,;28.23,-4.01,;26.91,-3.23,;26.92,-1.7,;25.56,-3.99,;25.57,-5.53,;26.9,-6.29,;26.9,-7.84,;28.24,-8.61,;28.24,-10.15,;24.25,-3.23,;22.91,-3.99,;21.55,-3.2,;22.91,-5.53,;21.57,-6.3,;20.22,-5.51,;18.87,-6.3,;17.51,-5.52,;17.5,-3.94,;18.86,-3.16,;20.23,-3.95,;16.14,-3.15,;16.15,-1.58,;14.79,-.79,;13.43,-1.57,;13.43,-3.15,;14.79,-3.93,;24.24,-6.3,;18.93,-7.89,;20.2,-8.65,;17.54,-8.66,;16.19,-7.88,;14.62,-7.92,;13.72,-9.21,;12.22,-8.76,;12.18,-7.19,;13.66,-6.67,;17.55,-10.2,;16.21,-10.98,;14.88,-10.21,;16.22,-12.52,;17.56,-13.28,;17.56,-14.82,;18.89,-15.59,;18.9,-17.13,;20.24,-17.89,;21.57,-17.11,;22.91,-17.88,;22.91,-19.42,;24.23,-17.1,;25.57,-17.87,;25.58,-19.41,;24.25,-20.18,;24.25,-21.72,;25.59,-22.48,;26.92,-21.7,;26.91,-20.17,;24.23,-15.56,;25.56,-14.79,;26.89,-15.56,;20.25,-19.43,;21.58,-20.2,;18.91,-20.2,;18.92,-21.74,;20.26,-22.51,;20.27,-24.05,;18.93,-24.82,;18.94,-26.36,;20.27,-27.12,;20.28,-28.66,;21.61,-26.34,;21.6,-24.81,;17.59,-22.52,;17.6,-24.06,;16.25,-21.75,;14.89,-13.29,;14.9,-14.83,;16.23,-15.59,;13.56,-15.6,;12.23,-14.84,;13.57,-17.14,;12.24,-17.92,;10.9,-17.16,;9.57,-17.93,;9.58,-19.47,;8.24,-20.24,;10.91,-20.24,;12.25,-19.46,)|
BDBM50427694 C[C@@H]1NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)N2C[C@H](CCCN=C(N)N)NC(=O)[C@@H](CSCC2=O)NC(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H](CSSC[C@H](NC(=O)[C@H](Cc2ccccc2)NC1=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)NC(=O)[C@@H](N)Cc1ccc(O)cc1 |r,wU:94.101,80.86,5.5,61.66,37.38,13.13,wD:109.118,71.114,76.98,46.49,26.28,1.0,(34.6,-27.15,;35.95,-27.92,;37.27,-27.15,;38.61,-27.91,;38.62,-29.45,;39.94,-27.13,;41.28,-27.9,;41.28,-29.44,;42.61,-30.2,;39.95,-30.21,;39.93,-25.59,;41.27,-24.82,;42.6,-25.58,;41.28,-23.26,;42.61,-22.5,;43.9,-23.35,;45.33,-22.82,;46.28,-24.03,;45.43,-25.31,;45.81,-26.78,;44.72,-27.85,;43.24,-27.45,;42.86,-25.96,;43.95,-24.89,;39.94,-22.5,;39.95,-20.97,;38.61,-20.2,;39.95,-19.44,;41.28,-20.21,;42.61,-19.44,;43.95,-20.22,;45.28,-19.45,;46.61,-20.23,;45.29,-17.91,;38.62,-18.68,;37.29,-17.9,;37.3,-16.36,;35.95,-18.66,;35.95,-20.2,;37.29,-20.96,;37.29,-22.51,;38.62,-23.28,;38.63,-24.82,;34.63,-17.89,;33.3,-18.65,;31.94,-17.87,;33.3,-20.19,;31.96,-20.96,;30.6,-20.18,;29.25,-20.96,;27.9,-20.19,;27.89,-18.61,;26.54,-17.83,;26.54,-16.27,;27.9,-15.48,;29.25,-16.27,;29.25,-17.83,;30.61,-18.62,;34.62,-20.97,;29.31,-22.55,;30.59,-23.32,;27.93,-23.33,;26.58,-22.55,;25.01,-22.58,;24.11,-23.88,;22.61,-23.42,;22.57,-21.85,;24.05,-21.34,;27.94,-24.87,;26.6,-25.65,;25.27,-24.88,;26.61,-27.18,;27.95,-27.95,;27.95,-29.48,;29.28,-30.25,;29.29,-31.79,;30.63,-32.55,;31.96,-31.78,;33.3,-32.55,;33.3,-34.08,;34.62,-31.77,;35.96,-32.54,;35.97,-34.08,;34.63,-34.85,;34.64,-36.38,;35.98,-37.15,;37.31,-36.37,;37.3,-34.83,;34.62,-30.23,;35.95,-29.45,;37.28,-30.22,;30.64,-34.09,;31.97,-34.86,;29.3,-34.87,;29.31,-36.41,;30.65,-37.18,;30.65,-38.72,;29.32,-39.49,;29.32,-41.02,;30.66,-41.79,;30.66,-43.32,;31.99,-41,;31.98,-39.47,;27.98,-37.18,;27.99,-38.72,;26.64,-36.42,;25.28,-27.95,;25.29,-29.5,;26.62,-30.26,;23.95,-30.27,;22.62,-29.51,;23.96,-31.81,;22.63,-32.58,;21.29,-31.82,;19.96,-32.59,;19.97,-34.13,;18.63,-34.91,;21.3,-34.91,;22.63,-34.13,)|
BDBM50427678 C[C@@H]1NC(=O)[C@H](CSSC[C@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)N2C[C@H](CCCN=C(N)N)NC(=O)[C@@H](CSCC2=O)NC(=O)[C@@H](Cc2ccccc2)NC1=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)NC(=O)[C@@H](N)Cc1ccc(O)cc1 |r,wU:85.90,14.14,30.31,1.0,62.64,38.39,wD:100.107,5.103,10.87,71.75,51.54,25.26,(29.25,-18.72,;30.6,-19.49,;30.61,-21.03,;29.27,-21.81,;27.94,-21.04,;29.28,-23.35,;30.62,-24.11,;30.62,-25.65,;31.96,-26.42,;31.97,-27.96,;33.3,-28.73,;34.64,-27.95,;35.97,-28.72,;35.98,-30.26,;37.3,-27.94,;38.64,-28.71,;38.65,-30.25,;37.31,-31.02,;37.32,-32.56,;38.66,-33.33,;39.99,-32.54,;39.98,-31.01,;37.3,-26.4,;38.63,-25.62,;39.96,-26.39,;38.63,-24.08,;37.28,-23.32,;39.96,-23.31,;41.29,-24.08,;41.3,-25.62,;42.63,-23.3,;43.96,-24.07,;43.96,-25.61,;45.3,-26.37,;42.64,-26.38,;42.62,-21.76,;43.95,-20.98,;45.29,-21.75,;43.97,-19.42,;45.3,-18.66,;46.59,-19.51,;48.02,-18.98,;48.98,-20.19,;48.12,-21.48,;48.5,-22.95,;47.41,-24.02,;45.92,-23.62,;45.55,-22.13,;46.64,-21.06,;42.63,-18.66,;42.64,-17.13,;41.3,-16.36,;42.63,-15.6,;43.97,-16.37,;45.3,-15.6,;46.63,-16.38,;47.97,-15.61,;49.31,-16.39,;47.98,-14.07,;41.3,-14.84,;39.98,-14.06,;39.99,-12.52,;38.63,-14.82,;38.63,-16.36,;39.97,-17.12,;39.97,-18.67,;41.31,-19.44,;41.31,-20.98,;37.31,-14.05,;35.98,-14.81,;34.65,-14.04,;35.98,-16.35,;34.64,-17.12,;33.3,-16.35,;33.31,-14.81,;31.99,-14.03,;30.64,-14.8,;30.65,-16.35,;31.98,-17.12,;37.3,-17.13,;31.99,-18.72,;33.26,-19.48,;33.31,-30.27,;34.65,-31.04,;31.98,-31.04,;31.98,-32.58,;33.32,-33.35,;33.33,-34.89,;31.99,-35.67,;32,-37.2,;33.34,-37.97,;33.34,-39.51,;34.67,-37.19,;34.66,-35.65,;30.65,-33.36,;30.66,-34.9,;29.31,-32.59,;27.95,-24.12,;27.96,-25.67,;29.29,-26.43,;26.62,-26.44,;25.28,-25.68,;26.63,-27.98,;25.29,-28.76,;23.96,-28,;22.63,-28.77,;22.63,-30.31,;21.29,-31.08,;23.96,-31.09,;25.3,-30.31,)|
BDBM50427679 C[C@@H]1NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc2ccc(cc2)-c2ccccc2)N2C[C@H](CCCN=C(N)N)NC(=O)[C@@H](CSCC2=O)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H](CSSC[C@H](NC(=O)[C@H](Cc2ccccc2)NC1=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)NC(=O)[C@@H](N)Cc1ccc(O)cc1 |r,wU:93.99,79.84,5.5,60.64,40.41,13.13,wD:108.116,70.112,75.96,49.52,29.31,1.0,(17.31,-55.49,;18.65,-56.25,;19.97,-55.48,;21.31,-56.24,;21.32,-57.78,;22.64,-55.47,;23.97,-56.24,;23.98,-57.77,;25.31,-58.54,;22.65,-58.54,;22.63,-53.93,;23.97,-53.15,;25.3,-53.92,;23.98,-51.6,;25.31,-50.84,;26.66,-51.63,;26.65,-53.19,;28.01,-53.98,;29.37,-53.2,;29.37,-51.62,;28.01,-50.84,;30.72,-53.98,;30.72,-55.55,;32.08,-56.33,;33.44,-55.55,;33.43,-53.97,;32.08,-53.19,;22.64,-50.84,;22.65,-49.31,;21.31,-48.54,;22.65,-47.78,;23.98,-48.55,;25.31,-47.79,;26.64,-48.56,;27.97,-47.8,;29.31,-48.57,;27.98,-46.25,;21.32,-47.02,;19.99,-46.25,;20,-44.71,;18.65,-47,;18.65,-48.54,;19.99,-49.3,;19.99,-50.85,;21.32,-51.62,;21.33,-53.16,;17.34,-46.24,;16,-47,;14.64,-46.21,;16,-48.54,;14.67,-49.3,;13.31,-48.52,;11.96,-49.31,;10.6,-48.53,;10.6,-46.95,;11.95,-46.17,;13.32,-46.96,;17.33,-49.31,;12.02,-50.89,;13.29,-51.66,;10.63,-51.67,;9.29,-50.89,;7.72,-50.92,;6.82,-52.22,;5.32,-51.76,;5.28,-50.2,;6.76,-49.68,;10.64,-53.21,;9.31,-53.98,;7.97,-53.22,;9.32,-55.52,;10.65,-56.28,;10.65,-57.82,;11.99,-58.59,;12,-60.13,;13.33,-60.89,;14.66,-60.11,;16,-60.88,;16,-62.42,;17.32,-60.1,;18.66,-60.87,;18.67,-62.41,;17.34,-63.18,;17.34,-64.72,;18.68,-65.48,;20.01,-64.7,;20,-63.17,;17.32,-58.57,;18.65,-57.79,;19.98,-58.56,;13.34,-62.43,;14.67,-63.19,;12.01,-63.2,;12.02,-64.74,;13.35,-65.51,;13.36,-67.05,;12.02,-67.82,;12.03,-69.35,;13.37,-70.11,;13.37,-71.65,;14.7,-69.33,;14.69,-67.8,;10.68,-65.52,;10.69,-67.05,;9.35,-64.75,;7.99,-56.29,;7.99,-57.84,;9.33,-58.6,;6.66,-58.6,;5.33,-57.84,;6.67,-60.14,;5.34,-60.92,;4,-60.16,;2.67,-60.93,;2.68,-62.47,;1.34,-63.24,;4.01,-63.24,;5.34,-62.46,)|
BDBM50427680 C[C@@H]1NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](Cc2ccc3ccccc3c2)N2C[C@H](CCCN=C(N)N)NC(=O)[C@@H](CSCC2=O)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H](CSSC[C@H](NC(=O)[C@H](Cc2ccccc2)NC1=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)NC(=O)[C@@H](N)Cc1ccc(O)cc1 |r,wU:91.97,77.82,5.5,58.62,38.39,wD:106.114,68.110,73.94,47.50,27.29,13.13,1.0,(34.2,-28.89,;35.54,-29.65,;36.87,-28.88,;38.2,-29.64,;38.21,-31.18,;39.54,-28.86,;40.87,-29.63,;40.87,-31.17,;42.21,-31.93,;39.55,-31.94,;39.53,-27.33,;40.86,-26.55,;42.2,-27.32,;40.88,-25,;42.2,-24.23,;43.56,-25.02,;43.55,-26.59,;44.9,-27.38,;46.26,-26.59,;47.62,-27.38,;48.98,-26.59,;48.98,-25.01,;47.62,-24.23,;46.26,-25.02,;44.91,-24.24,;39.54,-24.23,;39.54,-22.7,;38.21,-21.94,;39.54,-21.18,;40.88,-21.94,;42.2,-21.18,;43.54,-21.96,;44.87,-21.19,;46.2,-21.97,;44.88,-19.65,;38.21,-20.42,;36.89,-19.64,;36.9,-18.1,;35.55,-20.4,;35.55,-21.93,;36.88,-22.7,;36.88,-24.25,;38.22,-25.01,;38.22,-26.55,;34.23,-19.63,;32.9,-20.39,;31.54,-19.61,;32.9,-21.93,;31.56,-22.7,;30.2,-21.92,;28.86,-22.7,;27.5,-21.92,;27.49,-20.35,;28.85,-19.57,;30.22,-20.36,;34.22,-22.71,;28.92,-24.29,;30.19,-25.05,;27.53,-25.07,;26.18,-24.28,;24.61,-24.32,;23.71,-25.61,;22.21,-25.16,;22.18,-23.59,;23.66,-23.07,;27.54,-26.6,;26.21,-27.38,;24.87,-26.61,;26.21,-28.92,;27.55,-29.68,;27.55,-31.22,;28.88,-31.99,;28.89,-33.52,;30.23,-34.28,;31.56,-33.51,;32.89,-34.28,;32.9,-35.81,;34.22,-33.5,;35.55,-34.27,;35.56,-35.81,;34.23,-36.58,;34.24,-38.11,;35.58,-38.88,;36.91,-38.09,;36.9,-36.56,;34.22,-31.96,;35.54,-31.19,;36.88,-31.95,;30.24,-35.82,;31.57,-36.59,;28.9,-36.6,;28.91,-38.14,;30.25,-38.9,;30.26,-40.44,;28.92,-41.21,;28.93,-42.75,;30.26,-43.51,;30.27,-45.05,;31.59,-42.73,;31.58,-41.2,;27.58,-38.91,;27.59,-40.45,;26.24,-38.14,;24.88,-29.69,;24.89,-31.23,;26.22,-31.99,;23.56,-32,;22.22,-31.24,;23.57,-33.54,;22.23,-34.31,;20.9,-33.56,;19.57,-34.33,;19.57,-35.86,;18.24,-36.64,;20.9,-36.64,;22.24,-35.86,)|
BDBM50427681 C[C@@H]1NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc2ccc3ccccc3c2)N2C[C@H](CCCN=C(N)N)NC(=O)[C@@H](CSCC2=O)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H](CSSC[C@H](NC(=O)[C@H](Cc2ccccc2)NC1=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)NC(=O)[C@@H](N)Cc1ccc(O)cc1 |r,wU:91.97,77.82,5.5,58.62,38.39,13.13,wD:106.114,68.110,73.94,47.50,27.29,1.0,(18.43,-11.75,;19.77,-12.51,;21.1,-11.75,;22.43,-12.51,;22.44,-14.04,;23.77,-11.73,;25.1,-12.5,;25.1,-14.04,;26.44,-14.8,;23.78,-14.81,;23.76,-10.19,;25.09,-9.42,;26.42,-10.19,;25.11,-7.86,;26.43,-7.1,;27.79,-7.89,;27.78,-9.46,;29.13,-10.24,;30.49,-9.46,;31.85,-10.24,;33.21,-9.46,;33.21,-7.88,;31.85,-7.1,;30.49,-7.88,;29.14,-7.1,;23.76,-7.1,;23.77,-5.57,;22.44,-4.8,;23.77,-4.04,;25.11,-4.81,;26.43,-4.05,;27.77,-4.82,;29.1,-4.06,;30.43,-4.83,;29.11,-2.51,;22.44,-3.28,;21.12,-2.51,;21.13,-.97,;19.78,-3.26,;19.78,-4.8,;21.11,-5.57,;21.11,-7.11,;22.45,-7.88,;22.45,-9.42,;18.46,-2.5,;17.13,-3.26,;15.77,-2.47,;17.13,-4.8,;15.79,-5.57,;14.43,-4.78,;13.09,-5.57,;11.73,-4.79,;11.72,-3.21,;13.08,-2.44,;14.44,-3.22,;18.45,-5.57,;13.14,-7.16,;14.42,-7.92,;11.76,-7.93,;10.41,-7.15,;8.84,-7.19,;7.94,-8.48,;6.44,-8.03,;6.41,-6.46,;7.89,-5.94,;11.77,-9.47,;10.43,-10.25,;9.1,-9.48,;10.44,-11.78,;11.78,-12.55,;11.78,-14.08,;13.11,-14.85,;13.12,-16.39,;14.46,-17.15,;15.79,-16.37,;17.12,-17.14,;17.13,-18.68,;18.45,-16.37,;19.78,-17.13,;19.79,-18.67,;18.46,-19.44,;18.47,-20.98,;19.81,-21.74,;21.14,-20.96,;21.13,-19.43,;18.45,-14.83,;19.77,-14.05,;21.11,-14.82,;14.47,-18.69,;15.8,-19.46,;13.13,-19.46,;13.14,-21,;14.48,-21.77,;14.48,-23.31,;13.15,-24.08,;13.15,-25.61,;14.49,-26.38,;14.5,-27.91,;15.82,-25.59,;15.81,-24.06,;11.81,-21.78,;11.82,-23.32,;10.47,-21.01,;9.11,-12.55,;9.12,-14.1,;10.45,-14.86,;7.79,-14.87,;6.45,-14.11,;7.8,-16.4,;6.46,-17.18,;5.13,-16.42,;3.8,-17.19,;3.8,-18.73,;2.46,-19.5,;5.13,-19.51,;6.47,-18.73,)|
BDBM50427682 C[C@@H]1NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)N2C[C@H](CCCN=C(N)N)NC(=O)[C@@H](CSCC2=O)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H](CSSC[C@H](NC(=O)[C@H](Cc2ccccc2)NC1=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)NC(=O)[C@@H](N)Cc1ccc(O)cc1 |r,wU:81.85,67.70,5.5,48.50,28.27,13.13,wD:96.102,58.98,63.82,37.38,17.17,1.0,(20.98,-56.13,;22.32,-56.89,;23.65,-56.12,;24.98,-56.88,;24.99,-58.42,;26.32,-56.11,;27.65,-56.88,;27.65,-58.41,;28.99,-59.18,;26.33,-59.18,;26.31,-54.57,;27.64,-53.79,;28.98,-54.56,;27.66,-52.23,;28.99,-51.47,;26.32,-51.47,;26.33,-49.94,;24.99,-49.18,;26.32,-48.42,;27.66,-49.18,;28.99,-48.42,;30.32,-49.19,;31.65,-48.43,;32.99,-49.2,;31.66,-46.88,;24.99,-47.65,;23.67,-46.88,;23.68,-45.34,;22.33,-47.63,;22.33,-49.17,;23.66,-49.94,;23.66,-51.49,;25,-52.25,;25,-53.79,;21.01,-46.87,;19.67,-47.63,;18.32,-46.84,;19.67,-49.17,;18.34,-49.94,;16.98,-49.15,;15.63,-49.94,;14.27,-49.16,;14.27,-47.58,;15.62,-46.81,;16.99,-47.59,;21,-49.94,;15.69,-51.53,;16.96,-52.29,;14.3,-52.31,;12.95,-51.52,;11.38,-51.56,;10.49,-52.85,;8.98,-52.4,;8.95,-50.83,;10.43,-50.31,;14.31,-53.84,;12.98,-54.62,;11.64,-53.85,;12.99,-56.16,;14.32,-56.92,;14.32,-58.46,;15.66,-59.23,;15.67,-60.77,;17,-61.53,;18.34,-60.75,;19.67,-61.52,;19.67,-63.06,;21,-60.74,;22.33,-61.51,;22.34,-63.05,;21.01,-63.82,;21.02,-65.36,;22.35,-66.12,;23.69,-65.34,;23.68,-63.81,;21,-59.21,;22.32,-58.43,;23.66,-59.2,;17.01,-63.07,;18.35,-63.84,;15.68,-63.84,;15.69,-65.38,;17.02,-66.15,;17.03,-67.69,;15.69,-68.46,;15.7,-70,;17.04,-70.76,;17.04,-72.3,;18.37,-69.98,;18.36,-68.45,;14.35,-66.16,;14.36,-67.7,;13.02,-65.39,;11.65,-56.93,;11.66,-58.48,;13,-59.24,;10.33,-59.24,;8.99,-58.48,;10.34,-60.78,;9,-61.56,;7.67,-60.8,;6.34,-61.57,;6.34,-63.11,;5,-63.88,;7.67,-63.89,;9.01,-63.11,)|
BDBM50427683 C[C@@H]1NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)[C@]23CCCN2C(=O)[C@@H](CSCC3=O)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H](CSSC[C@H](NC(=O)[C@H](Cc2ccccc2)NC1=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)NC(=O)[C@@H](N)Cc1ccc(O)cc1 |r|
BDBM50427684 C[C@@H]1NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)N2C[C@H](CCCCN=C(N)N)NC(=O)[C@@H](CSCC2=O)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H](CSSC[C@H](NC(=O)[C@H](Cc2ccccc2)NC1=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)NC(=O)[C@@H](N)Cc1ccc(O)cc1 |r,wU:91.97,77.82,5.5,58.62,38.39,13.13,wD:106.114,68.110,73.94,47.50,26.28,1.0,(17.32,-11.76,;18.66,-12.52,;19.99,-11.75,;21.32,-12.52,;21.33,-14.06,;22.66,-11.74,;23.99,-12.51,;23.99,-14.05,;25.33,-14.81,;22.67,-14.82,;22.65,-10.2,;23.98,-9.42,;25.32,-10.19,;24,-7.87,;25.33,-7.11,;26.62,-7.96,;28.05,-7.43,;29,-8.64,;28.15,-9.92,;28.53,-11.39,;27.44,-12.46,;25.95,-12.06,;25.58,-10.57,;26.67,-9.5,;22.66,-7.11,;22.67,-5.57,;21.33,-4.81,;22.66,-4.05,;24.02,-4.84,;25.38,-4.06,;26.74,-4.86,;28.1,-4.08,;29.46,-4.87,;30.82,-4.1,;29.45,-6.45,;21.33,-3.28,;20.01,-2.51,;20.02,-.97,;18.67,-3.26,;18.67,-4.8,;20,-5.57,;20,-7.12,;21.34,-7.89,;21.34,-9.42,;17.35,-2.5,;16.01,-3.26,;14.66,-2.47,;16.01,-4.8,;14.68,-5.57,;13.32,-4.78,;11.97,-5.57,;10.61,-4.79,;10.61,-3.21,;11.96,-2.44,;13.33,-3.22,;17.34,-5.58,;12.03,-7.16,;13.3,-7.92,;10.64,-7.94,;9.29,-7.16,;7.72,-7.19,;6.82,-8.48,;5.32,-8.03,;5.28,-6.46,;6.77,-5.94,;10.65,-9.48,;9.32,-10.25,;7.98,-9.49,;9.32,-11.79,;10.66,-12.55,;10.66,-14.09,;12,-14.86,;12.01,-16.4,;13.34,-17.16,;14.68,-16.39,;16.01,-17.16,;16.01,-18.69,;17.34,-16.38,;18.67,-17.15,;18.68,-18.69,;17.35,-19.46,;17.36,-20.99,;18.69,-21.76,;20.03,-20.98,;20.02,-19.44,;17.34,-14.84,;18.66,-14.06,;20,-14.83,;13.35,-18.7,;14.69,-19.47,;12.02,-19.48,;12.02,-21.02,;13.36,-21.79,;13.37,-23.33,;12.03,-24.1,;12.04,-25.63,;13.38,-26.4,;13.38,-27.94,;14.71,-25.61,;14.7,-24.08,;10.69,-21.8,;10.7,-23.33,;9.35,-21.03,;7.99,-12.56,;8,-14.11,;9.33,-14.87,;6.66,-14.88,;5.33,-14.12,;6.67,-16.42,;5.34,-17.19,;4.01,-16.43,;2.67,-17.2,;2.68,-18.74,;1.34,-19.52,;4.01,-19.52,;5.35,-18.74,)|
BDBM50422954 [#6]-[#6](-[#6])-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6])-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccc(-[#8])cc1)-[#7]-[#6](=O)-[#6@@H]-1-[#6]-[#16]-[#16]-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-c2ccc(-[#8])cc2)-[#7]-[#6](=O)-[#6@H](-[#6])-[#7]-[#6](=O)-[#6@@H](-[#7]-[#6](=O)-[#6@H](-[#6])-[#7]-[#6](=O)-[#6@H](-[#6])-[#7]-[#6](=O)-[#6@@H]-2-[#6]-[#6]-[#6]-[#7]-2-[#6](=O)-[#6@@H](-[#7])-[#6]-[#6](-[#8])=O)-[#6@@H](-[#6])-[#8])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-[#6@H](-[#6]-c2ccccc2)-[#6](=O)-[#7]-[#6@@H](-[#6]-c2ccccc2)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#7])=O)-[#6](=O)-[#7]-[#6@@H](-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-c2ccccc2)-[#6](=O)-[#7]-1)-[#6](-[#8])=O |r|
BDBM50422955 CC(C)C[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](N)CC(O)=O)[C@@H](C)O)C(=O)N[C@H](CCCNC(N)=N)C(=O)N[C@H](Cc2ccccc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc2ccccc2)C(=O)N1)C(O)=O |r|
BDBM50422956 CC(C)C[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](N)CC(O)=O)[C@@H](C)O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@H](Cc2ccccc2)C(=O)N[C@H](Cc2ccccc2)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc2ccccc2)C(=O)N1)C(O)=O |r|
BDBM50422957 CC(C)C[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](N)CC(O)=O)[C@@H](C)O)C(=O)N[C@H](CCCNC(N)=N)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc2ccccc2)C(=O)N1)C(O)=O |r|
BDBM50422958 CC(C)C[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](N)CC(O)=O)[C@@H](C)O)C(=O)N[C@H](CCCNC(N)=N)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@H](Cc2ccccc2)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc2ccccc2)C(=O)N1)C(O)=O |r|
BDBM50017128 CC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](Cc1ccc(I)cc1)C(=O)N1Cc2ccccc2CC1C(=O)N[C@H](Cc1ccc(cc1)[N+]([O-])=O)C(N)=O |r|
BDBM50017130 CC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](Cc1ccc(I)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(I)cc1)C(N)=O |r|
BDBM50017131 CC(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@H](Cc1ccc(I)cc1)C(=O)N1Cc2ccccc2CC1C(=O)N[C@H](Cc1ccc(cc1)[N+]([O-])=O)C(N)=O |r|
BDBM50017132 CC(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@H](Cc1ccc(I)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(I)cc1)C(N)=O |r|
BDBM50017134 CC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](Cc1ccc(Cl)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(I)cc1)C(N)=O |r|
BDBM50017136 CC(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@H](Cc1ccc(Cl)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(I)cc1)C(N)=O |r|
BDBM50017133 CC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](Cc1ccc(Cl)cc1)C(=O)N1Cc2ccccc2CC1C(=O)N[C@H](Cc1ccc(cc1)[N+]([O-])=O)C(N)=O |r|
BDBM50017135 CC(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@H](Cc1ccc(Cl)cc1)C(=O)N1Cc2ccccc2CC1C(=O)N[C@H](Cc1ccc(cc1)[N+]([O-])=O)C(N)=O |r|
BDBM50017181 CCCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(C)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(C)C)C(N)=O |r|
BDBM50031470 CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CCc2cn(CC[C@H](NC(=O)[C@H](Cc3c[nH]c4ccccc34)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](Cc3ccccc3)NC(=O)[C@H](Cc3cnc[nH]3)NC1=O)C(N)=O)nn2 |r|
BDBM50031469 CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CCn2cc(CC[C@H](NC(=O)[C@H](Cc3c[nH]c4ccccc34)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](Cc3ccccc3)NC(=O)[C@H](Cc3cnc[nH]3)NC1=O)C(N)=O)nn2 |r|
BDBM50031471 CCCC[C@H](NC(C)=O)C(=O)N[C@H]1Cn2cc(CCCC[C@H](NC(=O)[C@H](Cc3c[nH]c4ccccc34)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](Cc3ccccc3)NC(=O)[C@H](Cc3cnc[nH]3)NC1=O)C(N)=O)nn2 |r|
BDBM50031473 CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CCn2cc(CCC[C@H](NC(=O)[C@H](Cc3c[nH]c4ccccc34)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](Cc3ccccc3)NC(=O)[C@H](Cc3cnc[nH]3)NC1=O)C(N)=O)nn2 |r|
BDBM50031476 CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CCCn2cc(CC[C@H](NC(=O)[C@H](Cc3c[nH]c4ccccc34)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](Cc3ccccc3)NC(=O)[C@H](Cc3cnc[nH]3)NC1=O)C(N)=O)nn2 |r|
BDBM50031477 CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CCCCn2cc(C[C@H](NC(=O)[C@H](Cc3c[nH]c4ccccc34)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](Cc3ccccc3)NC(=O)[C@H](Cc3cnc[nH]3)NC1=O)C(N)=O)nn2 |r|
BDBM50031479 CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CCCc2cn(CC[C@H](NC(=O)[C@H](Cc3c[nH]c4ccccc34)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](Cc3ccccc3)NC(=O)[C@H](Cc3cnc[nH]3)NC1=O)C(N)=O)nn2 |r|
BDBM50031486 CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CCc2cn(CCC[C@H](NC(=O)[C@H](Cc3c[nH]c4ccccc34)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](Cc3ccccc3)NC(=O)[C@H](Cc3cnc[nH]3)NC1=O)C(N)=O)nn2 |r|
BDBM50031487 CCCC[C@H](NC(C)=O)C(=O)N[C@H]1Cc2cn(CCCC[C@H](NC(=O)[C@H](Cc3c[nH]c4ccccc34)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](Cc3ccccc3)NC(=O)[C@H](Cc3cnc[nH]3)NC1=O)C(N)=O)nn2 |r|
BDBM50031488 CCCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCN=[N+]=[N-])NC(=O)[C@H](CCCC)NC(C)=O)C(N)=O |r|
BDBM50031490 CCCCCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CN=[N+]=[N-])NC(=O)[C@H](CCCC)NC(C)=O)C(N)=O |r|
BDBM50031492 CCCCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCN=[N+]=[N-])NC(=O)[C@H](CCCC)NC(C)=O)C(N)=O |r|
BDBM50031493 CCCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCN=[N+]=[N-])NC(=O)[C@H](CCCC)NC(C)=O)C(N)=O |r|
BDBM50031494 CCCC[C@H](NC(C)=O)C(=O)N[C@@H](CCCCN=[N+]=[N-])C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC#C)C(N)=O |r|
BDBM50031495 CCCCCC[C@H](NC(=O)[C@H](CCCC)NC(C)=O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CN=[N+]=[N-])C(N)=O |r|
BDBM50031496 CCCCC[C@H](NC(=O)[C@H](CCCC)NC(C)=O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCN=[N+]=[N-])C(N)=O |r|
BDBM50031497 CCCC[C@H](NC(C)=O)C(=O)N[C@@H](CCCC)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCN=[N+]=[N-])C(N)=O |r|
BDBM50031498 CCCC[C@H](NC(C)=O)C(=O)N[C@@H](CC#C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCCN=[N+]=[N-])C(N)=O |r|
BDBM50031499 CC(C)C[C@H](NC(C)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCCNC(C)=O)C(N)=O |r|
BDBM50031500 CCCC[C@H](NC(C)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCCN)C(N)=O |wU:52.54,12.12,4.3,66.70,wD:20.20,30.31,41.43,(28.22,-.04,;26.88,-.81,;25.55,-.04,;24.22,-.81,;22.88,-.04,;22.88,1.5,;24.22,2.27,;25.55,1.5,;24.22,3.81,;21.55,-.81,;21.55,-2.35,;20.22,-.04,;18.88,-.81,;18.88,-2.35,;17.55,-3.12,;16.21,-2.35,;17.55,-4.66,;17.55,-.04,;17.55,1.5,;16.21,-.81,;14.88,-.04,;14.88,1.5,;13.55,2.27,;12.14,1.64,;11.11,2.78,;11.88,4.12,;13.39,3.8,;13.55,-.81,;13.55,-2.35,;12.21,-.04,;10.88,-.81,;10.88,-2.35,;9.55,-3.12,;9.55,-4.66,;8.21,-5.43,;6.88,-4.66,;6.88,-3.12,;8.21,-2.35,;9.55,-.04,;9.55,1.5,;8.21,-.81,;6.88,-.04,;6.88,1.5,;8.21,2.27,;8.21,3.81,;9.55,4.58,;9.55,6.12,;8.21,6.89,;10.88,6.89,;5.55,-.81,;5.55,-2.35,;4.21,-.04,;2.88,-.81,;2.88,-2.35,;1.54,-3.12,;.14,-2.5,;-.89,-3.64,;-.12,-4.98,;-.6,-6.44,;.43,-7.58,;1.94,-7.26,;2.41,-5.8,;1.38,-4.66,;1.54,-.04,;1.54,1.5,;.21,-.81,;-1.12,-.04,;-2.46,-.81,;-3.79,-.04,;-5.12,-.81,;-6.46,-.04,;-7.79,-.81,;-1.12,1.5,;-2.46,2.27,;.21,2.27,)|
BDBM50089397 [H][C@@]12CCCN1C(=O)[C@@]1([H])CCCN1C(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@]([H])(NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@]([H])(NC(=O)[C@H](Cc1ccc(O)cc1)NC2=O)[C@@H](C)O)[C@@H](C)O |r|
BDBM50106531 [#6]-[#6@@H]-1-[#7]-[#6](=O)-[#6@@H](-[#6]-[#6](-[#7])=O)-[#7]-[#6](=O)-[#6@H](-[#6]-c2ccccc2)-[#7]-[#6](=O)-[#6@@H](-[#6]-c2ccccc2)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](=O)-[#7]-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@@H](-[#6]-c2ccccc2)-[#7]-[#6]-1=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccc(-[#8])cc1)-[#6](-[#8])=O)-[#7]-[#6](=O)-[#6@@H](-[#7])-[#6]-c1ccc(-[#8])cc1
BDBM50106534 [#6]-[#6@@H]-1-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#7])=O)-[#7]-[#6](=O)-[#6@H](-[#6]-c2ccccc2)-[#7]-[#6](=O)-[#6@H](-[#6]-c2ccccc2)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6](=O)-[#7]-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-c2ccccc2)-[#7]-[#6]-1=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccc(-[#8])cc1)-[#6](-[#7])=O)-[#7]-[#6](=O)-[#6@@H](-[#7])-[#6]-c1ccc(-[#8])cc1
BDBM50031478 CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CCCCc2cn(C[C@H](NC(=O)[C@H](Cc3c[nH]c4ccccc34)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](Cc3ccccc3)NC(=O)[C@H](Cc3cnc[nH]3)NC1=O)C(N)=O)nn2 |r|
BDBM50031489 CCCC[C@H](NC(C)=O)C(=O)N[C@@H](CCCC)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCN=[N+]=[N-])C(N)=O |r|
BDBM50080576 CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCC[C@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](Cc2c[nH]cn2)NC1=O)C(N)=O |r|
BDBM50080577 CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](Cc1ccc(I)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@H](Cc1ccc2ccccc2c1)C(N)=O |r|
BDBM50080578 CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](Cc1ccc(I)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc2ccccc2c1)C(N)=O |r|
BDBM50080579 CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](Cc1ccc(I)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r|
BDBM50080580 CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](Cc1ccc(I)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1Cc2ccccc2C[C@H]1C(N)=O |r|
BDBM50080581 CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](Cc1ccc(I)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1csc2ccccc12)C(N)=O |r|
BDBM50080582 CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](Cc1ccc(I)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(cc1)-c1ccccc1)C(N)=O |r|
BDBM50080583 CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](Cc1ccc(I)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O |r|
BDBM50106533 [#6]-[#6@@H]-1-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#7])=O)-[#7]-[#6](=O)-[#6@H](-[#6]-c2ccccc2)-[#7]-[#6](=O)-[#6@H](-[#6]-c2ccccc2)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#7]-[#6](=O)-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-c2ccccc2)-[#7]-[#6]-1=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccc(-[#8])cc1)-[#6](-[#7])=O)-[#7]-[#6](=O)-[#6@@H](-[#7])-[#6]-c1ccc(-[#8])cc1
BDBM50089398 [H][C@@]12CCCN1C(=O)[C@@]1([H])CCCN1C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCNC(N)=N)NC2=O |r|
BDBM50089399 [H][C@@]12CCCN1C(=O)[C@@]1([H])CCCN1C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccc(cc1)-c1ccccc1)NC(=O)[C@H](CCCNC(N)=N)NC2=O |r|
BDBM50089400 [H][C@@]12CCCN1C(=O)[C@@]1([H])CCCN1C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)C1Cc3ccccc3CN1C(=O)[C@H](CCCNC(N)=N)NC2=O |r|
BDBM50089401 [H][C@@]12CCCN1C(=O)[C@@]1([H])CCCN1C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)C(NC(=O)[C@H](CCCNC(N)=N)NC2=O)c1ccccc1 |r|
BDBM50089403 [H][C@@]12CCCN1C(=O)[C@@]1([H])CCCN1C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)c1cc3ccccc3cc1NC(=O)[C@H](CCCNC(N)=N)NC2=O |r|
BDBM50089404 [H][C@@]12CCCN1C(=O)[C@@]1([H])CCCN1C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)C(Cc1cccc3ccccc13)NC(=O)[C@H](CCCNC(N)=N)NC2=O |r|
BDBM50089406 [H][C@@]12CCCN1C(=O)[C@@]1([H])CCCN1C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc1ccc(cc1)-c1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCNC(N)=N)NC2=O |r|
BDBM50089407 [H][C@@]12CCCN1C(=O)[C@@]1([H])CCCN1C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](C)NC(=O)[C@H](CC(N)=O)NC(=O)C1Cc3ccccc3CN1C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCNC(N)=N)NC2=O |r|
BDBM50089408 [H][C@@]12CCCN1C(=O)[C@@]1([H])CCCN1C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](C)NC(=O)[C@H](CC(N)=O)NC(=O)C(NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCNC(N)=N)NC2=O)c1ccccc1 |r|
BDBM50089409 [H][C@@]12CCCN1C(=O)[C@@]1([H])CCCN1C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](C)NC(=O)[C@H](CC(N)=O)NC(=O)C(CCc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCNC(N)=N)NC2=O |r|
BDBM50089411 [H][C@@]12CCCN1C(=O)[C@@]1([H])CCCN1C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](C)NC(=O)[C@H](CC(N)=O)NC(=O)C(Cc1cccc3ccccc13)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCNC(N)=N)NC2=O |r|
BDBM50089412 [H][C@@]12CCCN1C(=O)[C@@]1([H])CCCN1C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](C)NC(=O)[C@H](CC(N)=O)NC(=O)C(Cc1ccc3ccccc3c1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCNC(N)=N)NC2=O |r|
BDBM50089417 [H][C@@]12CCCN1C(=O)[C@@]1([H])CCCN1C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCNC(N)=N)NC2=O |r|
BDBM50089419 C[C@@H](O)[C@H](NC(O)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H]1CSSC[C@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CCCNC(N)=N)NC1=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(N)=N)C(N)=O |r|
BDBM50089420 C[C@@H](O)[C@H](NC(C)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H]1CSSC[C@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CCCNC(N)=N)NC1=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(N)=N)C(N)=O |r|
BDBM50089421 C[C@@H](O)[C@H](NC(C)=O)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H]1CSSC[C@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CCCNC(N)=N)NC1=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCCNC(N)=N)C(N)=O |r|
BDBM50089422 [H][C@]12CSSC[C@@]([H])(NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@H](C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@H](CCCNC(N)=N)NC1=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CSSC[C@H](NC(=O)[C@@H](NC(C)=O)[C@@H](C)O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N2)C(=O)N[C@@H](CCCNC(N)=N)C(N)=O |r|
BDBM50089424 [H][C@@]12CCCN1C(=O)[C@@]1([H])CCCN1C(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccc(O)cc1)NC2=O |r|
BDBM50092133 CC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@H](CC(N)=O)Cc1c[nH]c2ccccc12 |r|
BDBM50092134 CC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O |r|
BDBM50092136 CC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@H](CC(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O)Cc1ccccc1 |r|
BDBM50092135 CC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CC(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O)Cc1ccccc1 |r|
BDBM50089402 [H][C@@]12CCCN1C(=O)[C@@]1([H])CCCN1C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)C(CCc1ccccc1)NC(=O)[C@H](CCCNC(N)=N)NC2=O |r|
BDBM50089405 [H][C@@]12CCCN1C(=O)[C@@]1([H])CCCN1C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)C(Cc1ccc3ccccc3c1)NC(=O)[C@H](CCCNC(N)=N)NC2=O |r|
BDBM50089410 [H][C@@]12CCCN1C(=O)[C@@]1([H])CCCN1C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](C)NC(=O)[C@H](CC(N)=O)NC(=O)c1cc3ccccc3cc1NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCNC(N)=N)NC2=O |r|
BDBM50089418 [H][C@@]12CCCN1C(=O)[C@@]1([H])CCCN1C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](C)NC(=O)[C@H](CCCCNC(N)=N)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCNC(N)=N)NC2=O |r|
BDBM50128358 CCCCC(NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(C)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(C)C)C(N)=O |r|
BDBM50128359 CC[C@H](C)[C@H](NC(=O)[C@H](CCC(O)=O)NC(C)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H]([C@@H](C)O)C(=O)NCC(=O)N[C@@H]([C@@H](C)CC)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(C)C)C(N)=O |r|
BDBM50164802 CC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](Cc1ccc2ccccc2c1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCCCOCCOCCOCCCNC(=O)COCC(N)=O |r|
BDBM50164803 CC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCCCOCCOCCOCCCNC(=O)COCC(=O)NCCCOCCOCCOCCCNC(=O)COCC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O |r|
BDBM50164804 CC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCCCOCCOCCOCCCNC(=O)COCC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O |r|
BDBM50164805 CC(=O)NC(Cc1cnc[nH]1)C(=O)NC(Cc1ccccc1)C(=O)NC(CCCNC(N)=N)C(=O)NC(Cc1c[nH]c2ccccc12)C(=O)N1CCCC1C(=O)NCC(=O)N1CCCC1C(=O)NCC(=O)N1CCCC1C(=O)NCC(=O)N1CCCC1C(=O)NCC(=O)N1CCCC1C(=O)NCC(=O)N1CCCC1C(=O)NCC(N)=O
BDBM50164797 CC(=O)NC(Cc1cnc[nH]1)C(=O)NC(Cc1ccccc1)C(=O)NC(CCCNC(N)=N)C(=O)NC(Cc1c[nH]c2ccccc12)C(=O)N1CCCC1C(=O)NCC(=O)N1CCCC1C(=O)NCC(=O)N1CCCC1C(=O)NCC(=O)N1CCCC1C(=O)NCC(=O)N1CCCC1C(=O)NCC(=O)N1CCCC1C(=O)NCC(=O)NC(Cc1cnc[nH]1)C(=O)NC(Cc1ccccc1)C(=O)NC(CCCNC(N)=N)C(=O)NC(Cc1c[nH]c2ccccc12)C(N)=O
BDBM50164799 CC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCCCOCCOCCOCCCNC(=O)COCC(N)=O |r|
BDBM50164806 NCCCOCCOCCOCCCNC(=O)COCC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O |r|
BDBM50164798 NC(=N)NCCC[C@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@@H]1CCCN1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O |r|
BDBM50164800 CC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](Cc1ccc2ccccc2c1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCCCOCCOCCOCCCNC(=O)COCC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](Cc1ccc2ccccc2c1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O |r|
BDBM50164801 NCCCOCCOCCOCCCNC(=O)COCC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](Cc1ccc2ccccc2c1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O |r|
BDBM50223719 CCCC[C@H](N)C(=O)N[C@H]1CC(=O)NCCCC[C@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]cn2)NC1=O)C(O)=O |wU:22.22,58.61,36.38,4.3,wD:9.8,18.72,47.49,(-2.84,-13.67,;-1.44,-13.06,;-.19,-13.98,;1.22,-13.36,;2.45,-14.28,;2.29,-15.82,;3.87,-13.67,;5.11,-14.58,;4.05,-12.14,;5.46,-11.52,;6.26,-12.84,;7.39,-13.9,;6.5,-15.16,;8.75,-14.6,;10.25,-14.91,;11.79,-14.81,;13.26,-14.29,;14.51,-13.41,;15.48,-12.21,;16.1,-10.8,;16.3,-9.27,;17.84,-9.27,;16.1,-7.75,;17.58,-7.33,;18.66,-6.24,;18.4,-4.7,;19.77,-3.99,;20.87,-5.08,;22.4,-4.98,;23.27,-6.26,;22.57,-7.64,;21.03,-7.74,;20.17,-6.46,;15.48,-6.34,;14.51,-5.13,;15.56,-4.01,;13.26,-4.25,;13.95,-2.87,;15.49,-2.82,;16.21,-1.44,;17.75,-1.37,;18.45,-.01,;19.98,.06,;17.62,1.3,;11.79,-3.73,;10.25,-3.63,;10.16,-2.1,;8.75,-3.94,;8.23,-2.49,;9.23,-1.31,;10.76,-1.59,;11.76,-.43,;11.23,1.02,;9.72,1.3,;8.72,.13,;7.39,-4.66,;6.26,-5.7,;5.06,-4.73,;5.46,-7.02,;4.05,-6.4,;3.87,-4.87,;5.01,-3.84,;4.36,-2.43,;2.84,-2.61,;2.54,-4.11,;5.04,-8.51,;5.04,-10.04,;3.52,-10.25,;16.79,-13.01,;18.14,-12.28,;16.76,-14.55,)|