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177 SMILES Strings for Replication protein A 70 kDa DNA-binding subunit

Compound NameSMILES String
BDBM50006679 CC(C)C[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(O)=O)NC(=S)Nc1ccc(c(c1)C(O)=O)-c1c2ccc(O)cc2oc2cc(=O)ccc12)[C@@H](C)O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](C)C(N)=O |r,wU:16.16,29.29,4.3,116.123,44.45,78.84,93.98,wD:84.89,8.8,33.33,102.107,24.24,127.135,(45.14,-14.1,;43.8,-13.34,;43.8,-11.8,;42.46,-14.1,;42.46,-15.64,;41.13,-16.41,;39.8,-15.64,;39.8,-14.1,;38.47,-16.41,;38.47,-17.95,;39.8,-18.71,;41.13,-17.95,;39.8,-20.26,;37.13,-15.63,;35.81,-16.4,;35.81,-17.95,;34.47,-15.64,;34.47,-14.09,;35.81,-13.33,;37.13,-14.09,;35.81,-11.79,;33.14,-16.41,;31.8,-15.63,;31.8,-14.09,;30.47,-16.41,;30.47,-17.95,;29.14,-15.63,;27.8,-16.4,;27.8,-17.94,;26.47,-15.63,;25.15,-16.4,;23.81,-15.62,;23.81,-14.09,;22.47,-16.4,;22.47,-17.94,;23.81,-18.7,;23.8,-20.24,;25.12,-21.02,;26.45,-20.25,;26.45,-18.71,;25.13,-17.94,;21.14,-15.62,;19.81,-16.4,;19.81,-17.93,;18.48,-15.62,;18.48,-14.08,;19.81,-13.31,;21.15,-14.08,;19.81,-11.78,;17.14,-16.4,;15.82,-15.61,;15.84,-14.07,;14.47,-16.36,;13.15,-15.58,;11.82,-16.32,;10.49,-15.53,;10.51,-13.99,;11.86,-13.24,;13.19,-14.03,;12.27,-11.76,;13.76,-11.37,;11.19,-10.66,;9.18,-13.2,;7.85,-13.94,;7.83,-15.48,;6.47,-16.23,;5.15,-15.44,;3.79,-16.19,;5.18,-13.9,;6.52,-13.15,;6.54,-11.61,;7.9,-10.87,;7.92,-9.32,;9.26,-8.57,;9.28,-7.01,;10.59,-9.37,;10.56,-10.9,;9.21,-11.66,;26.47,-14.09,;25.15,-13.32,;27.8,-13.32,;43.8,-16.41,;43.8,-17.96,;45.13,-15.64,;46.46,-16.42,;46.46,-17.96,;47.8,-18.72,;47.8,-20.27,;46.45,-21.04,;49.12,-21.04,;47.8,-15.65,;47.8,-14.11,;49.13,-16.42,;50.46,-15.65,;50.46,-14.11,;51.79,-13.35,;51.79,-11.81,;50.46,-11.04,;53.14,-11.04,;51.79,-16.42,;51.79,-17.97,;53.13,-15.65,;54.46,-16.43,;54.46,-17.97,;55.79,-18.73,;57.19,-18.12,;58.22,-19.26,;57.46,-20.59,;57.92,-22.06,;56.9,-23.21,;55.39,-22.88,;54.91,-21.42,;55.95,-20.27,;55.79,-15.66,;55.79,-14.12,;57.12,-16.43,;58.46,-15.66,;58.46,-14.12,;59.79,-13.36,;59.79,-11.82,;61.13,-11.05,;62.46,-11.82,;62.46,-13.36,;61.12,-14.13,;59.79,-16.43,;59.79,-17.98,;61.12,-15.66,;62.45,-16.44,;62.45,-17.98,;63.79,-15.67,;65.13,-16.44,;63.79,-14.13,)|
BDBM45821 OC(=O)c1cc(n[nH]1)-c1ccc(F)cc1
BDBM61188 Cc1ccc(cc1)C1=NN(C(C1)c1cn(nc1-c1ccc(C)cc1)-c1ccccc1)C(=O)CCC(O)=O |t:8|
BDBM50006655 CC(C)C[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(O)=O)NC(C)=O)[C@@H](C)O)C(=O)N[C@@H](C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(N)=O |r|
BDBM50006657 CC(C)C[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(O)=O)NC(C)=O)[C@@H](C)O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(N)=O |r|
BDBM50006661 CC(C)C[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(O)=O)NC(C)=O)[C@@H](C)O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(N)=O |r|
BDBM50006659 CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(O)=O)NC(C)=O)[C@@H](C)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(N)=O |r|
BDBM50006664 CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(O)=O)NC(C)=O)[C@@H](C)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(N)=O |r|
BDBM50006666 CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(C)=O)[C@@H](C)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(N)=O |r|
BDBM50006668 CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(O)=O)NC(C)=O)[C@@H](C)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(N)=O |r|
BDBM50006656 CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(O)=O)NC(C)=O)[C@@H](C)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(N)=O |r|
BDBM50006654 CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](C)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(O)=O)NC(C)=O)[C@@H](C)O)[C@@H](C)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(N)=O |r|
BDBM50006670 CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(O)=O)NC(C)=O)[C@@H](C)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(N)=O |r|
BDBM50006658 CC(C)C[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(O)=O)NC(C)=O)[C@@H](C)O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(N)=O |r|
BDBM50006660 CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(O)=O)NC(C)=O)[C@@H](C)O)[C@@H](C)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(N)=O |r|
BDBM50006662 CC(C)C[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(O)=O)NC(C)=O)[C@@H](C)O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(N)=O |r|
BDBM50006663 CC(C)C[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(O)=O)NC(C)=O)[C@@H](C)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(N)=O |r|
BDBM50006674 CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](C)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=S)Nc1ccc(c(c1)C(O)=O)-c1c2ccc(O)cc2oc2cc(=O)ccc12)[C@@H](C)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(N)=O |r,wU:93.97,138.146,52.55,13.13,4.3,78.81,127.136,38.41,68.71,wD:133.141,73.76,43.46,8.8,60.63,24.25,82.85,(69.07,-15.6,;67.73,-14.82,;67.73,-13.28,;66.38,-15.6,;66.38,-17.14,;65.04,-17.91,;63.71,-17.14,;63.71,-15.6,;62.38,-17.9,;62.38,-19.45,;61.04,-17.13,;59.71,-17.9,;59.71,-19.45,;58.37,-17.13,;58.37,-15.59,;59.71,-14.81,;59.71,-13.28,;61.04,-12.51,;62.38,-13.28,;62.38,-14.82,;61.04,-15.59,;57.04,-17.9,;55.69,-17.13,;55.69,-15.59,;54.36,-17.89,;54.36,-19.44,;55.69,-20.21,;57.1,-19.59,;58.13,-20.74,;57.35,-22.08,;57.83,-23.54,;56.8,-24.68,;55.3,-24.36,;54.82,-22.9,;55.85,-21.75,;53.02,-17.12,;51.69,-17.89,;51.69,-19.44,;50.35,-17.12,;50.35,-15.58,;49.02,-17.89,;47.68,-17.12,;47.68,-15.58,;46.34,-17.88,;46.34,-19.43,;47.68,-20.2,;47.68,-21.75,;46.34,-22.52,;49.01,-22.52,;45,-17.11,;43.67,-17.88,;43.67,-19.43,;42.33,-17.11,;42.33,-15.57,;43.67,-14.79,;43.67,-13.25,;45,-15.57,;40.99,-17.88,;39.65,-17.11,;39.65,-15.57,;38.33,-17.87,;38.33,-19.42,;39.65,-20.19,;40.99,-19.42,;39.65,-21.74,;36.99,-17.1,;35.64,-17.87,;35.64,-19.42,;34.3,-17.1,;34.3,-15.56,;32.98,-17.87,;31.64,-17.1,;31.64,-15.56,;30.3,-17.86,;30.3,-19.41,;28.96,-17.09,;27.64,-17.86,;27.64,-19.41,;26.3,-17.09,;24.95,-17.86,;23.62,-17.09,;23.62,-15.55,;22.29,-17.85,;22.29,-19.4,;23.62,-20.17,;23.62,-21.72,;24.94,-22.49,;26.29,-21.72,;26.29,-20.18,;24.95,-19.4,;20.95,-17.09,;19.61,-17.85,;19.61,-19.4,;18.28,-17.09,;18.28,-15.54,;19.61,-14.76,;20.95,-15.54,;19.61,-13.22,;16.94,-17.85,;15.63,-17.07,;15.65,-15.53,;14.29,-17.82,;12.97,-17.04,;11.64,-17.78,;10.32,-16.99,;10.34,-15.45,;11.68,-14.71,;13,-15.5,;12.09,-13.23,;13.58,-12.84,;11.01,-12.13,;9.01,-14.66,;7.68,-15.41,;7.66,-16.94,;6.31,-17.68,;5,-16.9,;3.63,-17.64,;5.02,-15.36,;6.36,-14.61,;6.38,-13.08,;7.73,-12.34,;7.75,-10.8,;9.1,-10.05,;9.11,-8.5,;10.41,-10.84,;10.38,-12.38,;9.04,-13.13,;26.3,-15.55,;24.95,-14.78,;27.64,-14.77,;67.73,-17.91,;67.73,-19.46,;69.06,-17.14,;70.39,-17.91,;70.39,-19.46,;71.73,-17.15,;71.73,-15.61,;73.07,-17.92,;74.4,-17.15,;74.4,-15.61,;75.74,-14.83,;75.74,-17.92,;77.07,-17.15,;75.74,-19.47,)|
BDBM50006667 CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(O)=O)NC(C)=O)[C@@H](C)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(N)=O |r|
BDBM50006727 CC[C@H](C)[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCSC)NC(C)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N1CCC[C@H]1C(N)=O |r|
BDBM50006729 CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(O)=O)NC(C)=O)[C@@H](C)O)[C@@H](C)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(N)=O |r|
BDBM50006733 CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(O)=O)NC(C)=O)[C@@H](C)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(N)=O |r|
BDBM50006669 CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(O)=O)NC(C)=O)[C@@H](C)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(N)=O |r|
BDBM50006737 CC(C)C[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(O)=O)NC(C)=O)[C@@H](C)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(O)=O |r|
BDBM50006678 CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(O)=O)NC(=S)Nc1ccc(c(c1)C(O)=O)-c1c2ccc(O)cc2oc2cc(=O)ccc12)[C@@H](C)O)C(N)=O |r,wU:38.41,100.104,13.13,56.59,85.88,4.3,72.75,134.143,wD:89.92,8.8,24.25,64.67,80.83,47.50,(70,-11.58,;70,-13.12,;71.33,-13.88,;68.66,-13.88,;68.66,-15.42,;67.34,-16.19,;66,-15.42,;66,-13.88,;64.67,-16.19,;64.67,-17.73,;63.34,-15.41,;62,-16.18,;62,-17.73,;60.67,-15.41,;60.67,-13.87,;62,-13.11,;62.01,-11.57,;63.35,-10.8,;64.68,-11.57,;64.68,-13.11,;63.35,-13.88,;59.34,-16.18,;58.01,-15.41,;58.01,-13.87,;56.67,-16.18,;56.67,-17.72,;58.01,-18.48,;59.41,-17.87,;60.45,-19.01,;59.67,-20.34,;60.15,-21.81,;59.11,-22.96,;57.6,-22.63,;57.14,-21.17,;58.16,-20.02,;55.34,-15.4,;54.02,-16.17,;54.02,-17.72,;52.68,-15.4,;52.68,-13.86,;54.02,-13.1,;54.02,-11.56,;52.69,-10.79,;55.35,-10.79,;51.35,-16.17,;50.01,-15.4,;50.01,-13.86,;48.68,-16.17,;48.68,-17.71,;50.01,-18.47,;50.01,-20.01,;48.68,-20.79,;51.34,-20.79,;47.35,-15.39,;46.02,-16.16,;46.02,-17.71,;44.69,-15.39,;44.69,-13.85,;46.02,-13.09,;47.36,-13.85,;46.02,-11.55,;43.36,-16.16,;42.02,-15.39,;42.02,-13.85,;40.69,-16.16,;40.69,-17.7,;42.02,-18.47,;43.35,-17.7,;42.02,-20,;39.36,-15.39,;38.03,-16.16,;38.03,-17.7,;36.69,-15.39,;36.69,-13.84,;38.03,-13.08,;39.36,-13.84,;38.03,-11.54,;35.37,-16.16,;34.03,-15.38,;34.03,-13.84,;32.7,-16.15,;32.7,-17.7,;31.36,-15.38,;30.03,-16.15,;30.03,-17.69,;28.7,-15.38,;27.37,-16.15,;26.04,-15.37,;26.04,-13.84,;24.71,-16.15,;24.71,-17.69,;26.04,-18.45,;27.37,-17.69,;28.7,-18.46,;28.7,-20,;27.36,-20.77,;26.03,-19.99,;23.38,-15.37,;22.04,-16.15,;22.04,-17.68,;20.7,-15.37,;20.7,-13.83,;22.04,-13.07,;23.38,-13.83,;22.04,-11.53,;19.38,-16.14,;18.06,-15.36,;18.08,-13.82,;16.72,-16.11,;15.4,-15.33,;14.07,-16.07,;12.74,-15.28,;12.76,-13.74,;14.1,-12.99,;15.43,-13.78,;14.51,-11.51,;16,-11.12,;13.43,-10.41,;11.43,-12.94,;10.09,-13.69,;10.07,-15.23,;8.71,-15.97,;7.4,-15.19,;6.03,-15.93,;7.42,-13.65,;8.77,-12.9,;8.78,-11.36,;10.14,-10.62,;10.16,-9.07,;11.51,-8.32,;11.52,-6.76,;12.83,-9.12,;12.8,-10.65,;11.46,-11.41,;28.7,-13.84,;27.37,-13.08,;30.03,-13.08,;70,-16.19,;71.33,-15.42,;70,-17.74,)|
BDBM50006673 CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(O)=O)NC(C)=O)[C@@H](C)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(N)=O |r|
BDBM50006665 CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(O)=O)NC(=S)Nc1ccc(c(c1)C(O)=O)-c1c2ccc(O)cc2oc2cc(=O)ccc12)[C@@H](C)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(N)=O |r,wU:100.104,85.88,72.75,56.59,134.143,4.3,38.41,13.13,145.153,wD:64.67,80.83,140.148,89.92,8.8,47.50,24.25,(64.07,-11.82,;62.73,-11.04,;62.73,-9.51,;61.4,-11.82,;61.4,-13.36,;60.06,-14.12,;58.73,-13.36,;58.73,-11.82,;57.39,-14.12,;57.39,-15.67,;56.06,-13.36,;54.72,-14.12,;54.72,-15.66,;53.39,-13.35,;53.39,-11.82,;54.72,-11.04,;54.73,-9.5,;56.06,-8.74,;57.4,-9.5,;57.4,-11.04,;56.06,-11.82,;52.05,-14.12,;50.71,-13.35,;50.71,-11.81,;49.38,-14.11,;49.38,-15.66,;50.71,-16.43,;52.12,-15.8,;53.13,-16.95,;52.36,-18.29,;52.85,-19.75,;51.81,-20.91,;50.3,-20.58,;49.84,-19.12,;50.87,-17.97,;48.05,-13.35,;46.71,-14.11,;46.71,-15.65,;45.38,-13.34,;45.38,-11.81,;46.71,-11.03,;46.71,-9.49,;45.38,-8.73,;48.05,-8.72,;44.04,-14.11,;42.71,-13.34,;42.71,-11.8,;41.37,-14.1,;41.37,-15.65,;42.71,-16.42,;42.71,-17.97,;41.37,-18.73,;44.04,-18.73,;40.03,-13.34,;38.7,-14.1,;38.7,-15.64,;37.37,-13.33,;37.37,-11.8,;38.7,-11.02,;40.03,-11.8,;38.7,-9.48,;36.03,-14.1,;34.69,-13.33,;34.69,-11.79,;33.37,-14.09,;33.37,-15.64,;34.69,-16.41,;36.03,-15.64,;34.69,-17.96,;32.03,-13.33,;30.7,-14.09,;30.7,-15.63,;29.35,-13.33,;29.35,-11.79,;30.7,-11.01,;32.03,-11.79,;30.7,-9.47,;28.03,-14.09,;26.69,-13.32,;26.69,-11.78,;25.36,-14.08,;25.36,-15.63,;24.01,-13.32,;22.69,-14.08,;22.69,-15.62,;21.35,-13.32,;20.02,-14.08,;18.68,-13.31,;18.68,-11.77,;17.35,-14.07,;17.35,-15.62,;18.68,-16.4,;18.67,-17.94,;19.99,-18.71,;21.33,-17.95,;21.33,-16.41,;20,-15.62,;16.01,-13.31,;14.67,-14.07,;14.67,-15.62,;13.34,-13.31,;13.34,-11.77,;14.68,-10.99,;16.01,-11.77,;14.68,-9.45,;12.01,-14.07,;10.69,-13.29,;10.71,-11.76,;9.36,-14.04,;8.04,-13.26,;6.72,-14,;5.39,-13.21,;5.41,-11.67,;6.75,-10.93,;8.07,-11.72,;7.16,-9.45,;8.65,-9.06,;6.08,-8.36,;4.08,-10.88,;2.75,-11.63,;2.73,-13.16,;1.38,-13.9,;.07,-13.12,;-1.29,-13.86,;.09,-11.58,;1.44,-10.84,;1.45,-9.3,;2.8,-8.57,;2.82,-7.03,;4.17,-6.27,;4.18,-4.72,;5.48,-7.07,;5.45,-8.6,;4.11,-9.35,;21.35,-11.78,;20.02,-11,;22.69,-11,;62.73,-14.13,;62.73,-15.67,;64.07,-13.37,;65.4,-14.13,;65.4,-15.68,;66.74,-13.37,;66.74,-11.83,;68.07,-14.13,;69.41,-13.37,;69.41,-11.83,;70.74,-11.05,;70.74,-14.14,;72.07,-13.38,;70.74,-15.68,)|
BDBM50006671 CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(O)=O)NC(C)=O)[C@@H](C)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(N)=O |r|
BDBM50006672 CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](C)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(O)=O)NC(C)=O)[C@@H](C)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(N)=O |r|
BDBM50006676 CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(O)=O)NC(=S)Nc1ccc(c(c1)C(O)=O)-c1c2ccc(O)cc2oc2cc(=O)ccc12)[C@@H](C)O)C(=O)N[C@@H](C)C(N)=O |r,wU:38.41,4.3,134.143,13.13,56.59,100.104,72.75,85.88,wD:64.67,140.148,8.8,80.83,24.25,47.50,89.92,(65.98,-14.77,;65.98,-16.31,;67.32,-17.08,;64.64,-17.08,;64.64,-18.61,;63.31,-19.39,;61.97,-18.61,;61.97,-17.07,;60.65,-19.38,;60.65,-20.92,;59.3,-18.61,;57.98,-19.38,;57.98,-20.92,;56.65,-18.6,;56.65,-17.07,;57.98,-16.3,;59.31,-17.07,;60.65,-16.31,;60.65,-14.77,;59.31,-13.99,;57.99,-14.76,;55.32,-19.37,;53.98,-18.6,;53.98,-17.06,;52.65,-19.37,;52.65,-20.91,;53.98,-21.68,;55.38,-21.06,;56.41,-22.21,;55.64,-23.54,;56.12,-25,;55.09,-26.15,;53.58,-25.83,;53.1,-24.36,;54.13,-23.21,;51.31,-18.6,;49.98,-19.37,;49.98,-20.91,;48.64,-18.59,;48.64,-17.06,;49.98,-16.29,;49.98,-14.75,;48.65,-13.98,;51.32,-13.98,;47.32,-19.36,;45.98,-18.59,;45.98,-17.05,;44.65,-19.36,;44.65,-20.9,;45.98,-21.67,;45.98,-23.21,;44.64,-23.99,;47.31,-23.98,;43.31,-18.59,;41.98,-19.36,;41.98,-20.9,;40.65,-18.58,;40.65,-17.05,;41.98,-16.28,;41.98,-14.74,;43.32,-17.05,;39.31,-19.35,;37.99,-18.58,;37.99,-17.04,;36.66,-19.35,;36.66,-20.89,;37.99,-21.66,;39.31,-20.89,;37.99,-23.2,;35.32,-18.58,;33.99,-19.35,;33.99,-20.89,;32.65,-18.58,;32.65,-17.04,;33.99,-16.27,;35.33,-17.04,;33.99,-14.73,;31.32,-19.34,;29.98,-18.58,;29.98,-17.03,;28.65,-19.35,;28.65,-20.88,;27.32,-18.57,;25.99,-19.35,;25.99,-20.89,;24.65,-18.57,;23.32,-19.34,;21.99,-18.57,;21.99,-17.03,;20.66,-19.34,;20.66,-20.88,;21.99,-21.65,;23.31,-20.89,;24.64,-21.66,;24.63,-23.2,;23.29,-23.97,;21.98,-23.19,;19.32,-18.57,;17.99,-19.34,;17.99,-20.88,;16.66,-18.57,;16.66,-17.02,;18,-16.26,;19.32,-17.03,;18,-14.72,;15.33,-19.34,;14.01,-18.55,;14.03,-17.01,;12.67,-19.3,;11.34,-18.52,;10.01,-19.26,;8.69,-18.47,;8.7,-16.93,;10.05,-16.18,;11.38,-16.97,;10.46,-14.7,;11.95,-14.31,;9.38,-13.6,;7.37,-16.14,;6.04,-16.88,;6.02,-18.42,;4.66,-19.17,;3.34,-18.38,;1.98,-19.13,;3.37,-16.84,;4.71,-16.09,;4.73,-14.55,;6.09,-13.81,;6.11,-12.26,;7.46,-11.51,;7.47,-9.95,;8.78,-12.31,;8.75,-13.84,;7.4,-14.6,;24.65,-17.03,;23.32,-16.26,;25.99,-16.26,;65.98,-19.39,;65.98,-20.93,;67.31,-18.62,;68.64,-19.39,;68.64,-20.93,;69.97,-18.62,;71.31,-19.4,;69.97,-17.08,)|
BDBM50006681 CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@]1(C)CCC\C=C/CCC[C@@](C)(NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CC(O)=O)NC(=S)Nc2ccc(c(c2)C(O)=O)-c2c3ccc(O)cc3oc3cc(=O)ccc23)[C@@H](C)O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(O)=O)C(=O)N1)C(O)=O |r,wU:58.61,4.3,48.51,38.41,73.77,107.116,121.129,13.13,wD:24.25,53.56,129.137,8.8,62.65,113.121,c:46,(75.65,-17.81,;74.32,-17.04,;74.32,-15.51,;72.98,-17.81,;72.98,-19.34,;71.66,-20.11,;70.33,-19.34,;70.33,-17.81,;69,-20.11,;69,-21.65,;67.67,-19.33,;66.34,-20.1,;66.34,-21.65,;65.01,-19.33,;65.01,-17.8,;66.34,-17.03,;67.67,-17.81,;69.01,-17.04,;69.01,-15.51,;67.68,-14.73,;66.35,-15.5,;63.67,-20.1,;62.34,-19.33,;62.34,-17.8,;61.01,-20.1,;61.01,-21.64,;62.34,-22.4,;63.75,-21.78,;64.77,-22.92,;64,-24.26,;64.48,-25.72,;63.45,-26.86,;61.94,-26.54,;61.47,-25.07,;62.5,-23.93,;59.69,-19.32,;58.36,-20.09,;58.36,-21.63,;57.02,-19.32,;58.11,-18.22,;56.25,-17.98,;57.01,-16.65,;56.25,-15.32,;57.01,-13.99,;56.25,-12.66,;43.32,-15.92,;42.93,-17.41,;41.45,-17.81,;41.06,-19.3,;40.28,-17.96,;39.74,-20.08,;38.4,-19.3,;38.4,-17.77,;37.07,-20.07,;37.07,-21.61,;35.74,-19.29,;34.41,-20.07,;34.41,-21.6,;33.07,-19.29,;31.75,-20.06,;30.42,-19.29,;30.42,-17.76,;29.09,-20.06,;29.09,-21.6,;30.42,-22.36,;31.74,-21.6,;33.07,-22.37,;33.07,-23.9,;31.74,-24.67,;30.42,-23.9,;27.76,-19.28,;26.42,-20.06,;26.42,-21.59,;25.09,-19.28,;25.09,-17.75,;26.42,-16.99,;27.77,-17.75,;26.42,-15.45,;23.76,-20.06,;22.38,-19.24,;22.4,-17.62,;20.97,-20.02,;19.58,-19.2,;18.19,-19.98,;16.8,-19.15,;16.82,-17.53,;18.23,-16.75,;19.62,-17.58,;18.66,-15.2,;20.22,-14.79,;17.53,-14.05,;15.42,-16.7,;14.02,-17.49,;14,-19.1,;12.58,-19.88,;11.2,-19.06,;9.76,-19.84,;11.22,-17.44,;12.63,-16.65,;12.65,-15.04,;14.07,-14.27,;14.09,-12.64,;15.51,-11.85,;15.52,-10.22,;16.89,-12.69,;16.86,-14.3,;15.45,-15.09,;33.07,-17.76,;31.75,-17,;34.41,-17,;42.39,-20.08,;42.39,-21.61,;43.72,-19.3,;45.05,-20.08,;45.05,-21.62,;46.38,-22.39,;47.71,-21.62,;46.38,-23.92,;46.38,-19.31,;46.38,-17.78,;47.71,-20.09,;49.04,-19.31,;49.04,-17.78,;50.37,-17.01,;51.7,-17.78,;50.37,-15.48,;50.37,-20.09,;50.37,-21.62,;51.7,-19.31,;53.04,-20.09,;53.04,-21.63,;54.36,-22.39,;54.36,-23.93,;53.03,-24.7,;55.69,-24.7,;54.36,-19.32,;54.36,-17.79,;55.7,-20.09,;74.32,-20.11,;75.64,-19.34,;74.32,-21.66,)|
BDBM50006725 CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccc(Cl)c(Cl)c1)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@]1(C)CCC\C=C/CCC[C@@](C)(NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CC(N)=O)NC(=S)Nc2ccc(c(c2)C(O)=O)-c2c3ccc(O)cc3oc3cc(=O)ccc23)[C@@H](C)O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(O)=O)C(=O)N1)C(O)=O |r,wU:50.53,40.43,109.118,123.131,60.63,75.79,13.13,4.3,wD:8.8,26.27,55.58,115.123,64.67,131.139,c:48,(73.25,-15.83,;71.91,-15.06,;71.91,-13.53,;70.58,-15.83,;70.58,-17.36,;69.25,-18.13,;67.93,-17.36,;67.93,-15.83,;66.6,-18.13,;66.6,-19.67,;65.26,-17.35,;63.94,-18.12,;63.94,-19.67,;62.6,-17.35,;62.6,-15.82,;63.94,-15.05,;65.27,-15.83,;66.6,-15.06,;66.6,-13.52,;67.94,-12.76,;65.27,-12.74,;65.27,-11.21,;63.94,-13.52,;61.26,-18.12,;59.93,-17.35,;59.93,-15.82,;58.6,-18.12,;58.6,-19.66,;59.93,-20.42,;61.34,-19.81,;62.36,-20.94,;61.59,-22.28,;62.08,-23.74,;61.04,-24.88,;59.53,-24.56,;59.07,-23.09,;60.09,-21.96,;57.28,-17.34,;55.95,-18.11,;55.95,-19.66,;54.61,-17.34,;55.7,-16.24,;53.84,-16,;54.6,-14.67,;53.84,-13.34,;54.6,-12.01,;53.83,-10.68,;40.9,-13.94,;40.51,-15.42,;39.03,-15.83,;38.64,-17.32,;37.86,-15.98,;37.32,-18.1,;35.98,-17.32,;35.98,-15.79,;34.65,-18.09,;34.65,-19.63,;33.32,-17.31,;31.99,-18.09,;31.99,-19.62,;30.65,-17.31,;29.33,-18.08,;28,-17.31,;28,-15.78,;26.67,-18.08,;26.67,-19.62,;28,-20.39,;28,-21.92,;29.32,-22.69,;30.65,-21.92,;30.65,-20.39,;29.32,-19.62,;25.34,-17.3,;24,-18.08,;24,-19.61,;22.67,-17.3,;22.67,-15.77,;24,-15.01,;25.34,-15.77,;24,-13.47,;21.34,-18.08,;19.95,-17.26,;19.97,-15.64,;18.54,-18.04,;17.16,-17.22,;15.76,-18,;14.37,-17.17,;14.39,-15.55,;15.8,-14.77,;17.19,-15.6,;16.23,-13.22,;17.8,-12.8,;15.1,-12.06,;12.99,-14.72,;11.59,-15.51,;11.57,-17.12,;10.15,-17.9,;8.77,-17.08,;7.33,-17.86,;8.79,-15.46,;10.2,-14.67,;10.22,-13.06,;11.65,-12.28,;11.66,-10.66,;13.08,-9.87,;13.1,-8.24,;14.47,-10.71,;14.43,-12.32,;13.02,-13.11,;30.65,-15.78,;29.33,-15.02,;31.99,-15.02,;39.97,-18.1,;39.97,-19.63,;41.3,-17.32,;42.64,-18.1,;42.64,-19.64,;43.96,-20.41,;45.29,-19.64,;43.96,-21.94,;43.96,-17.33,;43.96,-15.8,;45.3,-18.11,;46.63,-17.33,;46.63,-15.8,;47.96,-15.03,;47.96,-13.5,;49.29,-15.8,;47.96,-18.11,;47.96,-19.64,;49.29,-17.33,;50.62,-18.11,;50.62,-19.65,;51.95,-20.41,;51.95,-21.95,;50.62,-22.72,;53.28,-22.72,;51.95,-17.34,;51.95,-15.81,;53.29,-18.12,;71.91,-18.13,;73.24,-17.36,;71.91,-19.68,)|
BDBM50006732 CC(C)C[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](CC(O)=O)NC(C)=O)[C@@H](C)O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(N)=O |r|
BDBM50006723 CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@]1(C)CCC\C=C/CCC[C@@](C)(NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CC(O)=O)NC(=S)Nc2ccc(c(c2)C(O)=O)-c2c3ccc(O)cc3oc3cc(=O)ccc23)[C@@H](C)O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(O)=O)C(=O)N1)C(O)=O |r,wU:73.77,38.41,13.13,121.129,107.116,58.61,4.3,48.51,wD:62.65,113.121,24.25,129.137,53.56,8.8,c:46,(64.25,-11.74,;62.92,-10.98,;62.92,-9.45,;61.58,-11.74,;61.58,-13.27,;60.26,-14.04,;58.93,-13.27,;58.93,-11.74,;57.61,-14.04,;57.61,-15.58,;56.27,-13.27,;54.95,-14.03,;54.95,-15.58,;53.61,-13.26,;53.61,-11.74,;54.95,-10.96,;54.95,-9.44,;56.28,-8.66,;57.61,-9.44,;57.61,-10.97,;56.28,-11.74,;52.29,-14.03,;50.94,-13.26,;50.94,-11.73,;49.62,-14.03,;49.62,-15.57,;50.94,-16.33,;52.35,-15.72,;53.38,-16.85,;52.6,-18.19,;53.09,-19.65,;52.05,-20.79,;50.55,-20.47,;50.08,-19,;51.1,-17.86,;48.29,-13.26,;46.96,-14.02,;46.96,-15.57,;45.63,-13.25,;46.72,-12.15,;44.86,-11.91,;45.62,-10.58,;44.86,-9.25,;45.62,-7.92,;44.85,-6.6,;31.93,-9.85,;31.54,-11.33,;30.06,-11.74,;29.67,-13.23,;28.89,-11.9,;28.35,-14.01,;27.02,-13.23,;27.02,-11.7,;25.68,-14,;25.68,-15.54,;24.35,-13.22,;23.02,-14,;23.02,-15.53,;21.69,-13.22,;20.36,-14,;19.04,-13.22,;19.04,-11.69,;17.71,-13.99,;17.71,-15.53,;19.04,-16.3,;20.36,-15.53,;21.69,-16.3,;21.69,-17.83,;20.36,-18.6,;19.03,-17.83,;16.38,-13.22,;15.05,-13.99,;15.05,-15.52,;13.71,-13.22,;13.71,-11.68,;15.05,-10.92,;16.38,-11.68,;15.05,-9.38,;12.38,-13.99,;11,-13.17,;11.02,-11.56,;9.59,-13.96,;8.21,-13.13,;6.81,-13.91,;5.42,-13.09,;5.44,-11.47,;6.85,-10.69,;8.24,-11.52,;7.28,-9.13,;8.84,-8.72,;6.15,-7.98,;4.04,-10.64,;2.64,-11.42,;2.62,-13.03,;1.2,-13.82,;-.19,-12.99,;-1.61,-13.77,;-.15,-11.37,;1.26,-10.59,;1.27,-8.97,;2.7,-8.2,;2.72,-6.58,;4.13,-5.79,;4.15,-4.16,;5.52,-6.63,;5.48,-8.24,;4.08,-9.03,;21.69,-11.69,;20.36,-10.93,;23.02,-10.93,;31,-14.01,;31,-15.55,;32.33,-13.24,;33.66,-14.01,;33.66,-15.55,;34.99,-16.31,;36.32,-15.55,;34.99,-17.85,;34.99,-13.24,;34.99,-11.71,;36.32,-14.02,;37.65,-13.24,;37.65,-11.71,;38.98,-10.94,;40.32,-11.71,;38.98,-9.42,;38.98,-14.02,;38.98,-15.56,;40.31,-13.25,;41.64,-14.03,;41.64,-15.56,;42.97,-16.32,;42.97,-17.86,;41.64,-18.63,;44.3,-18.63,;42.97,-13.25,;42.97,-11.72,;44.3,-14.02,;62.92,-14.05,;64.24,-13.28,;62.92,-15.59,)|
BDBM50006731 CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](C)NC(C)=O)[C@@H](C)O)[C@@H](C)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(N)=O |r|
BDBM50006680 CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccc(Cl)c(Cl)c1)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(O)=O)NC(=S)Nc1ccc(c(c1)C(O)=O)-c1c2ccc(O)cc2oc2cc(=O)ccc12)[C@@H](C)O)C(N)=O |r,wU:74.77,87.90,13.13,136.145,102.106,40.43,58.61,4.3,wD:26.27,8.8,91.94,82.85,66.69,49.52,(61.33,-8.28,;61.33,-9.81,;62.67,-10.58,;60,-10.58,;60,-12.12,;58.67,-12.89,;57.33,-12.12,;57.33,-10.58,;55.99,-12.89,;55.99,-14.43,;54.66,-12.11,;53.33,-12.89,;53.33,-14.43,;51.99,-12.11,;51.99,-10.57,;53.33,-9.8,;54.67,-10.58,;56,-9.81,;56,-8.27,;57.34,-7.51,;54.67,-7.49,;54.68,-5.96,;53.33,-8.27,;50.66,-12.88,;49.33,-12.11,;49.33,-10.57,;48,-12.88,;48,-14.42,;49.33,-15.19,;50.73,-14.57,;51.76,-15.72,;50.99,-17.05,;51.46,-18.51,;50.43,-19.67,;48.92,-19.35,;48.44,-17.88,;49.49,-16.72,;46.66,-12.1,;45.32,-12.88,;45.32,-14.42,;43.99,-12.1,;43.99,-10.56,;45.32,-9.79,;45.32,-8.26,;43.99,-7.48,;46.66,-7.48,;42.66,-12.87,;41.32,-12.1,;41.32,-10.56,;39.98,-12.87,;39.98,-14.41,;41.32,-15.18,;41.32,-16.72,;39.98,-17.5,;42.65,-17.49,;38.65,-12.09,;37.32,-12.87,;37.32,-14.41,;35.98,-12.09,;35.98,-10.55,;37.32,-9.78,;37.32,-8.25,;38.66,-10.55,;34.64,-12.86,;33.31,-12.09,;33.31,-10.55,;31.98,-12.86,;31.98,-14.4,;33.31,-15.17,;34.64,-14.4,;33.31,-16.71,;30.64,-12.08,;29.31,-12.86,;29.31,-14.4,;27.98,-12.08,;27.98,-10.54,;29.31,-9.77,;30.65,-10.54,;29.31,-8.24,;26.63,-12.85,;25.29,-12.08,;25.29,-10.54,;23.96,-12.85,;23.96,-14.39,;22.63,-12.07,;21.3,-12.85,;21.3,-14.39,;19.96,-12.07,;18.63,-12.84,;17.3,-12.07,;17.3,-10.53,;15.96,-12.84,;15.96,-14.38,;17.3,-15.15,;18.62,-14.39,;19.94,-15.16,;19.93,-16.7,;18.6,-17.47,;17.29,-16.69,;14.64,-12.07,;13.3,-12.84,;13.3,-14.38,;11.96,-12.07,;11.96,-10.52,;13.3,-9.75,;14.63,-10.52,;13.3,-8.22,;10.62,-12.84,;9.31,-12.06,;9.33,-10.53,;7.97,-12.81,;6.66,-12.03,;5.33,-12.77,;4.01,-11.98,;4.03,-10.44,;5.37,-9.7,;6.69,-10.49,;5.78,-8.22,;7.26,-7.83,;4.7,-7.13,;2.7,-9.65,;1.37,-10.4,;1.35,-11.93,;0,-12.67,;-1.32,-11.89,;-2.67,-12.63,;-1.29,-10.35,;.06,-9.61,;.07,-8.07,;1.42,-7.34,;1.44,-5.8,;2.79,-5.05,;2.8,-3.5,;4.1,-5.84,;4.07,-7.37,;2.73,-8.12,;19.96,-10.53,;18.63,-9.77,;21.3,-9.76,;61.33,-12.9,;62.67,-12.12,;61.33,-14.44,)|
BDBM50006734 CC(C)C[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(O)=O)NC(C)=O)[C@@H](C)O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(N)=O |r|
BDBM50006682 CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@]1(C)CCC\C=C/CCC[C@@](C)(NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CC(N)=O)NC(=S)Nc2ccc(c(c2)C(O)=O)-c2c3ccc(O)cc3oc3cc(=O)ccc23)[C@@H](C)O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(O)=O)C(=O)N1)C(O)=O |r,wU:13.13,107.116,38.41,58.61,4.3,73.77,121.129,48.51,wD:53.56,62.65,113.121,24.25,129.137,8.8,c:46,(67.2,-15.63,;67.2,-17.16,;68.54,-17.92,;65.87,-17.92,;65.87,-19.45,;64.55,-20.22,;63.22,-19.45,;63.22,-17.92,;61.89,-20.22,;61.89,-21.76,;60.56,-19.45,;59.23,-20.22,;59.23,-21.76,;57.9,-19.44,;57.9,-17.92,;59.23,-17.15,;60.56,-17.92,;61.9,-17.15,;61.9,-15.62,;60.57,-14.84,;59.24,-15.62,;56.57,-20.21,;55.23,-19.44,;55.23,-17.91,;53.9,-20.21,;53.9,-21.75,;55.23,-22.51,;56.64,-21.9,;57.66,-23.03,;56.89,-24.37,;57.38,-25.83,;56.34,-26.97,;54.83,-26.65,;54.37,-25.18,;55.39,-24.05,;52.58,-19.44,;51.25,-20.2,;51.25,-21.75,;49.92,-19.43,;51.01,-18.33,;49.15,-18.09,;49.91,-16.76,;49.14,-15.44,;49.91,-14.11,;49.14,-12.78,;36.22,-16.04,;35.83,-17.51,;34.35,-17.92,;33.96,-19.41,;33.18,-18.08,;32.64,-20.19,;31.31,-19.41,;31.31,-17.88,;29.97,-20.18,;29.97,-21.72,;28.64,-19.41,;27.31,-20.18,;27.31,-21.72,;25.98,-19.4,;24.65,-20.18,;23.33,-19.4,;23.33,-17.87,;22,-20.18,;22,-21.71,;23.33,-22.48,;24.65,-21.71,;25.98,-22.48,;25.98,-24.01,;24.65,-24.78,;23.32,-24.01,;20.67,-19.4,;19.34,-20.18,;19.34,-21.71,;18,-19.4,;18,-17.86,;19.34,-17.1,;20.68,-17.86,;19.34,-15.57,;16.67,-20.18,;15.29,-19.36,;15.31,-17.74,;13.88,-20.14,;12.5,-19.32,;11.1,-20.1,;9.71,-19.27,;9.73,-17.66,;11.14,-16.87,;12.53,-17.7,;11.57,-15.32,;13.13,-14.91,;10.44,-14.17,;8.33,-16.82,;6.93,-17.61,;6.91,-19.22,;5.49,-20,;4.11,-19.18,;2.68,-19.96,;4.14,-17.56,;5.55,-16.77,;5.56,-15.16,;6.99,-14.39,;7.01,-12.77,;8.42,-11.98,;8.44,-10.34,;9.81,-12.81,;9.77,-14.42,;8.37,-15.21,;25.98,-17.87,;24.65,-17.12,;27.31,-17.11,;35.29,-20.19,;35.29,-21.73,;36.62,-19.42,;37.95,-20.2,;37.95,-21.73,;39.28,-22.49,;40.61,-21.73,;39.28,-24.03,;39.28,-19.42,;39.28,-17.89,;40.61,-20.2,;41.94,-19.42,;41.94,-17.9,;43.27,-17.12,;44.61,-17.9,;43.27,-15.6,;43.27,-20.2,;43.27,-21.74,;44.6,-19.43,;45.93,-20.21,;45.93,-21.74,;47.26,-22.5,;47.26,-24.04,;45.93,-24.81,;48.59,-24.81,;47.26,-19.43,;47.26,-17.9,;48.59,-20.2,;67.2,-20.23,;68.53,-19.46,;67.2,-21.77,)|
BDBM50006728 CC(C)C[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(O)=O)NC(=S)Nc1ccc(c(c1)C(O)=O)-c1c2ccc(O)cc2oc2cc(=O)ccc12)[C@@H](C)O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(N)=O |r,wU:110.115,125.130,138.143,26.26,8.8,55.55,70.71,104.110,42.42,wD:118.122,119.125,17.17,4.3,50.50,59.59,34.34,133.138,(59,-22.02,;59,-20.48,;60.33,-19.72,;57.67,-19.72,;57.67,-18.17,;56.33,-17.41,;55,-18.17,;55,-19.72,;53.66,-17.41,;53.66,-15.87,;55,-15.1,;55,-13.56,;53.66,-12.79,;56.33,-12.79,;52.34,-18.17,;51,-17.41,;51,-15.87,;49.66,-18.17,;49.66,-19.72,;51,-20.48,;51,-22.02,;49.66,-22.8,;52.34,-22.8,;48.33,-17.41,;47,-18.17,;47,-19.72,;45.66,-17.41,;45.66,-15.87,;47,-15.1,;47,-13.56,;48.33,-15.87,;44.33,-18.17,;43,-17.41,;43,-15.87,;41.66,-18.17,;41.66,-19.72,;43,-20.48,;44.33,-19.72,;43,-22.02,;40.33,-17.41,;38.99,-18.17,;38.99,-19.72,;37.67,-17.41,;37.67,-15.87,;38.99,-15.1,;40.33,-15.87,;38.99,-13.56,;36.32,-18.17,;35,-17.41,;35,-15.87,;33.66,-18.17,;33.66,-19.72,;32.33,-17.41,;31,-18.17,;31,-19.72,;29.65,-17.41,;28.33,-18.17,;26.99,-17.41,;26.99,-15.87,;25.66,-18.17,;25.66,-19.72,;26.99,-20.48,;28.32,-19.72,;29.64,-20.48,;29.64,-22.02,;28.32,-22.8,;26.99,-22.02,;24.33,-17.41,;23,-18.17,;23,-19.72,;21.66,-17.41,;21.66,-15.87,;23,-15.1,;24.33,-15.87,;23,-13.56,;20.32,-18.17,;19,-17.39,;19.02,-15.85,;17.66,-18.14,;16.34,-17.36,;15,-18.1,;13.68,-17.31,;13.69,-15.77,;15.04,-15.02,;16.37,-15.81,;15.45,-13.53,;16.95,-13.14,;14.37,-12.44,;12.36,-14.97,;11.03,-15.72,;11.01,-17.26,;9.65,-18.01,;8.33,-17.22,;6.96,-17.96,;8.36,-15.67,;9.7,-14.92,;9.72,-13.38,;11.08,-12.65,;11.1,-11.1,;12.45,-10.34,;12.46,-8.78,;13.77,-11.14,;13.74,-12.68,;12.39,-13.43,;29.65,-15.87,;28.33,-15.1,;31,-15.1,;59,-17.41,;59,-15.87,;60.33,-18.17,;61.67,-17.41,;61.67,-15.87,;63,-15.1,;64.34,-15.87,;63,-13.56,;63,-18.17,;63,-19.72,;64.34,-17.41,;65.66,-18.17,;65.66,-19.72,;64.34,-20.48,;67,-20.48,;67,-17.41,;67,-15.87,;68.33,-18.17,;69.66,-17.41,;69.66,-15.87,;71,-15.1,;71,-13.56,;72.34,-15.87,;71,-18.17,;71,-19.72,;72.34,-17.41,;73.67,-18.17,;73.67,-19.72,;75,-17.41,;75,-15.87,;76.33,-18.17,;77.67,-17.41,;77.67,-15.87,;79,-15.1,;79,-18.17,;80.34,-17.41,;79,-19.72,)|
BDBM50006724 CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@]1(C)CCC\C=C/CCC[C@@](C)(NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CC(N)=O)NC(=S)Nc2ccc(c(c2)C(O)=O)-c2c3ccc(O)cc3oc3cc(=O)ccc23)[C@@H](C)O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(O)=O)C(=O)N1)C(O)=O |r,wU:58.61,4.3,73.77,38.41,121.129,48.51,13.13,107.116,wD:113.121,24.25,53.56,8.8,129.137,62.65,c:46,(67.85,-15.26,;66.52,-14.5,;66.52,-12.97,;65.19,-15.26,;65.19,-16.8,;63.86,-17.57,;62.53,-16.8,;62.53,-15.27,;61.21,-17.56,;61.21,-19.11,;59.87,-16.79,;58.55,-17.56,;58.55,-19.1,;57.21,-16.79,;57.21,-15.26,;58.55,-14.49,;59.88,-15.27,;61.21,-14.5,;61.21,-12.97,;59.88,-12.19,;58.55,-12.96,;55.89,-17.56,;54.55,-16.79,;54.55,-15.26,;53.22,-17.55,;53.22,-19.1,;54.55,-19.85,;55.95,-19.24,;56.98,-20.37,;56.21,-21.71,;56.69,-23.17,;55.65,-24.31,;54.15,-24,;53.68,-22.53,;54.7,-21.39,;51.89,-16.78,;50.57,-17.55,;50.57,-19.09,;49.23,-16.78,;50.32,-15.68,;48.46,-15.44,;49.23,-14.11,;48.46,-12.78,;49.22,-11.45,;48.46,-10.12,;35.53,-13.38,;35.15,-14.86,;33.66,-15.26,;33.28,-16.76,;32.5,-15.42,;31.96,-17.53,;30.62,-16.75,;30.62,-15.23,;29.29,-17.53,;29.29,-19.06,;27.96,-16.75,;26.63,-17.53,;26.63,-19.06,;25.3,-16.75,;23.97,-17.52,;22.64,-16.74,;22.64,-15.22,;21.32,-17.52,;21.32,-19.05,;22.64,-19.82,;22.64,-21.36,;23.96,-22.13,;25.29,-21.36,;25.3,-19.83,;23.97,-19.06,;19.99,-16.74,;18.66,-17.52,;18.66,-19.05,;17.32,-16.74,;17.32,-15.21,;18.66,-14.45,;19.99,-15.21,;18.66,-12.91,;15.99,-17.52,;14.6,-16.69,;14.62,-15.08,;13.2,-17.48,;11.81,-16.66,;10.42,-17.44,;9.03,-16.61,;9.05,-14.99,;10.46,-14.21,;11.85,-15.04,;10.89,-12.66,;12.45,-12.25,;9.75,-11.51,;7.65,-14.16,;6.25,-14.95,;6.23,-16.55,;4.81,-17.34,;3.43,-16.52,;2,-17.3,;3.46,-14.9,;4.87,-14.11,;4.88,-12.5,;6.31,-11.73,;6.32,-10.11,;7.74,-9.31,;7.75,-7.68,;9.12,-10.15,;9.09,-11.76,;7.68,-12.55,;25.3,-15.22,;23.97,-14.46,;26.63,-14.46,;34.61,-17.54,;34.61,-19.07,;35.94,-16.76,;37.27,-17.54,;37.27,-19.07,;38.6,-19.83,;39.92,-19.07,;38.6,-21.38,;38.6,-16.76,;38.6,-15.24,;39.93,-17.54,;41.26,-16.77,;41.26,-15.24,;42.59,-14.47,;43.92,-15.24,;42.59,-12.94,;42.59,-17.55,;42.59,-19.08,;43.92,-16.77,;45.25,-17.55,;45.25,-19.08,;46.58,-19.84,;46.58,-21.39,;45.24,-22.16,;47.9,-22.15,;46.58,-16.77,;46.58,-15.25,;47.91,-17.55,;66.52,-17.57,;67.85,-16.8,;66.52,-19.11,)|
BDBM50006726 CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccc(Cl)c(Cl)c1)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@]1(C)CCC\C=C/CCC[C@@](C)(NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CC(N)=O)NC(=S)Nc2ccc(c(c2)C(O)=O)-c2c3ccc(O)cc3oc3cc(=O)ccc23)[C@@H](C)O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(O)=O)C(=O)N1)C(O)=O |r,wU:123.131,109.118,60.63,4.3,75.79,13.13,50.53,40.43,wD:115.123,131.139,64.67,55.58,26.27,8.8,c:48,(68.86,-13.3,;68.86,-14.83,;70.19,-15.6,;67.52,-15.6,;67.52,-17.13,;66.19,-17.9,;64.87,-17.12,;64.87,-15.59,;63.54,-17.89,;63.54,-19.44,;62.2,-17.12,;60.88,-17.89,;60.88,-19.43,;59.54,-17.12,;59.54,-15.59,;60.88,-14.82,;62.21,-15.59,;63.54,-14.82,;63.54,-13.29,;64.88,-12.53,;62.21,-12.51,;62.22,-10.97,;60.88,-13.29,;58.21,-17.88,;56.87,-17.11,;56.87,-15.58,;55.54,-17.88,;55.54,-19.42,;56.87,-20.19,;58.28,-19.57,;59.31,-20.71,;58.53,-22.04,;59.02,-23.51,;57.98,-24.65,;56.47,-24.33,;56.01,-22.86,;57.03,-21.72,;54.22,-17.11,;52.89,-17.88,;52.89,-19.42,;51.55,-17.11,;52.64,-16,;50.78,-15.76,;51.54,-14.43,;50.78,-13.1,;51.54,-11.77,;50.78,-10.44,;37.84,-13.7,;37.45,-15.18,;35.97,-15.6,;35.58,-17.08,;34.8,-15.75,;34.26,-17.86,;32.92,-17.08,;32.92,-15.55,;31.59,-17.86,;31.59,-19.39,;30.25,-17.08,;28.93,-17.85,;28.93,-19.39,;27.59,-17.07,;26.26,-17.85,;24.94,-17.07,;24.94,-15.54,;23.61,-17.85,;23.61,-19.38,;24.94,-20.15,;26.26,-19.39,;27.59,-20.16,;27.59,-21.69,;26.26,-22.46,;24.93,-21.69,;22.28,-17.07,;20.94,-17.85,;20.94,-19.38,;19.6,-17.07,;19.6,-15.53,;20.94,-14.77,;22.28,-15.53,;20.94,-13.23,;18.27,-17.85,;16.89,-17.02,;16.91,-15.41,;15.48,-17.81,;14.09,-16.99,;12.7,-17.77,;11.31,-16.94,;11.32,-15.32,;12.74,-14.54,;14.13,-15.37,;13.17,-12.98,;14.73,-12.57,;12.03,-11.83,;9.93,-14.49,;8.53,-15.27,;8.51,-16.88,;7.08,-17.67,;5.7,-16.84,;4.27,-17.63,;5.73,-15.22,;7.14,-14.44,;7.15,-12.82,;8.58,-12.05,;8.6,-10.43,;10.02,-9.63,;10.03,-8,;11.4,-10.47,;11.37,-12.08,;9.96,-12.87,;27.59,-15.54,;26.26,-14.78,;28.93,-14.78,;36.91,-17.86,;36.91,-19.4,;38.24,-17.09,;39.58,-17.87,;39.58,-19.4,;40.9,-20.17,;42.23,-19.4,;40.9,-21.71,;40.9,-17.09,;40.9,-15.56,;42.24,-17.87,;43.57,-17.09,;43.57,-15.57,;44.9,-14.79,;44.9,-13.27,;46.23,-15.57,;44.9,-17.88,;44.9,-19.41,;46.23,-17.1,;47.56,-17.88,;47.56,-19.41,;48.89,-20.17,;48.89,-21.72,;47.56,-22.49,;50.22,-22.49,;48.89,-17.1,;48.89,-15.57,;50.23,-17.88,;68.86,-17.9,;70.18,-17.13,;68.86,-19.44,)|
BDBM50006735 CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(O)=O)NC(C)=O)[C@@H](C)O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(N)=O |r|
BDBM50006736 CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](C)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(O)=O)NC(C)=O)[C@@H](C)O)[C@@H](C)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(N)=O |r|
BDBM50006738 CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(O)=O)NC(C)=O)[C@@H](C)O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(N)=O |r|
BDBM50424782 OC(=O)c1sc2cc(Cl)ccc2c1Cl
BDBM50424720 Cc1cccc2c(c([nH]c12)C(O)=O)-c1ccccc1
BDBM50443300 OC(=O)c1cc(-c2ccc(CNC(=S)c3ccc(cc3Cl)-c3ccc(o3)C(O)=O)cc2)n(n1)-c1ccc(Cl)c(Cl)c1
BDBM50443301 OC(=O)c1cc(-c2ccc(CNC(=O)c3ccc(cc3Cl)-c3ccc(o3)C(O)=O)cc2)n(n1)-c1ccc(Cl)c(Cl)c1
BDBM50443302 Cc1cccc(c1)-n1nc(cc1-c1ccc(OCc2ccc(cc2)-c2ccc(o2)C(O)=O)cc1)C(O)=O
BDBM50443303 CCc1c(O)nc2[nH]c3ccccc3n2c1=O
BDBM50443304 Cc1cccc(c1)-n1nc(cc1-c1ccccc1)C(O)=O
BDBM50443305 OC(=O)c1ccc(o1)-c1ccc(F)c(Cl)c1
BDBM50437275 OC(=O)c1sc2cc(ccc2c1Cl)-n1c(n[nH]c1=S)-c1ccc(Cl)c(Cl)c1
BDBM50437276 OC(=O)c1sc2cc(ccc2c1Cl)-n1c(n[nH]c1=S)-c1ccc(Br)c(Cl)c1
BDBM50437277 OC(=O)c1sc2cc(ccc2c1Cl)-n1c(n[nH]c1=S)-c1c[nH]c2ccccc12
BDBM50437278 OC(=O)c1cc2ccc(cc2s1)-n1c(n[nH]c1=S)-c1ccc(F)cc1
BDBM50437279 Cc1ccc(cc1)-c1n[nH]c(=S)n1-c1ccc2cc(sc2c1)C(O)=O
BDBM50437280 Cc1cccc(c1)-c1n[nH]c(=S)n1-c1ccc2cc(sc2c1)C(O)=O
BDBM50437281 Cc1ccccc1-c1n[nH]c(=S)n1-c1ccc2cc(sc2c1)C(O)=O
BDBM50437282 OC(=O)c1cc2ccc(cc2s1)-n1c(n[nH]c1=S)-c1ccccc1
BDBM50437299 Cc1ccc(cc1)-c1n[nH]c(=S)n1-c1ccc2c(Cl)c(sc2c1)C(O)=O
BDBM50437300 Cc1cccc(c1)-c1n[nH]c(=S)n1-c1ccc2c(Cl)c(sc2c1)C(O)=O
BDBM50437301 OC(=O)c1cc2ccc(cc2s1)-n1c(n[nH]c1=S)-c1ccc(Cl)cc1
BDBM50437302 OC(=O)c1cc2ccc(cc2s1)-n1c(n[nH]c1=S)-c1ccc(Br)cc1
BDBM50437303 Cc1ccccc1-c1n[nH]c(=S)n1-c1ccc2c(Cl)c(sc2c1)C(O)=O
BDBM50437304 OC(=O)c1sc2cc(ccc2c1Cl)-n1c(n[nH]c1=S)-c1cccc(Oc2ccccc2)c1
BDBM50437305 OC(=O)CSc1nnc(-c2cc3ccccc3s2)n1-c1ccc(Cl)c(Cl)c1
BDBM50437306 OC(=O)c1sc2cc(ccc2c1Cl)-n1c(n[nH]c1=S)-c1cccc(Br)c1
BDBM50437307 OC(=O)c1sc2cc(ccc2c1Cl)-n1c(n[nH]c1=S)-c1ccc(Cl)cc1
BDBM50437308 OC(=O)c1cc2ccc(cc2s1)-n1c(n[nH]c1=S)-c1cccc(Br)c1
BDBM50437309 Cc1cccc(-c2n[nH]c(=S)n2-c2ccc3c(Cl)c(sc3c2)C(O)=O)c1Br
BDBM50437310 OC(=O)CSc1nnc(-c2ccc3ccccc3c2)n1-c1ccc(Cl)c(Cl)c1
BDBM50437311 OC(=O)c1sc2cc(ccc2c1Cl)-n1c(n[nH]c1=S)-c1ccc(F)cc1
BDBM50437312 OC(=O)CSc1nnc(-c2sc3ccccc3c2Cl)n1-c1ccc(Cl)c(Cl)c1
BDBM50437313 OC(=O)c1sc2cc(ccc2c1Cl)-n1c(n[nH]c1=S)-c1ccc2ccccc2c1
BDBM50437314 OC(=O)c1sc2cc(ccc2c1Cl)-n1c(n[nH]c1=S)-c1ccc(Br)cc1
BDBM50437315 OC(=O)c1cc2ccc(cc2s1)-n1c(n[nH]c1=S)-c1cc(Cl)cc(Cl)c1
BDBM50437316 Cc1cc(ccc1Br)-c1n[nH]c(=S)n1-c1ccc2c(Cl)c(sc2c1)C(O)=O
BDBM50437317 OC(=O)c1sc2cc(ccc2c1Cl)-n1c(n[nH]c1=S)C1CCCCC1
BDBM50437318 OC(=O)c1cc2ccc(cc2s1)-n1c(n[nH]c1=S)-c1ccc(Cl)c(Cl)c1
BDBM50437319 CC(C)C1=C[C@]23CC[C@@H]4[C@](C)(CCC[C@@]4(C)C(O)=O)[C@H]2C[C@@H]1[C@H]([C@@H]3C(O)=O)C(O)=O |r,t:3,THB:1:3:19.20:22.23|
BDBM50437320 Cc1ccc2c(Cl)c(sc2c1)-c1nnc(SCC(O)=O)n1-c1ccc(Cl)c(Cl)c1
BDBM50437321 OC(=O)c1sc2cc(ccc2c1Cl)-n1c(n[nH]c1=S)-c1ccc(Cl)c(Br)c1
BDBM50437322 OC(=O)c1sc2cc(ccc2c1Cl)-n1c(n[nH]c1=S)-c1cc(Cl)cc(Cl)c1
BDBM50437323 OC(=O)c1cc2ccc(cc2s1)-n1c(n[nH]c1=S)-c1ccc(Br)c(Cl)c1
BDBM50437283 Clc1ccc(cc1)-c1nnn[nH]1
BDBM50437284 OC(=O)CSc1nnc(-c2ccc(F)cc2)n1-c1ccc(Cl)cc1
BDBM50437285 COc1ccc(cc1)-c1nnc(SCC(O)=O)n1-c1ccc(Cl)cc1
BDBM50437286 OC(=O)CSc1nnc(-c2ccc3ccccc3c2)n1-c1cccc(Cl)c1
BDBM50437287 COc1ccc(cc1)-c1nnc(SCC(O)=O)n1-c1cccc(Cl)c1
BDBM50437288 OC(=O)CSc1nnc(-c2ccc(F)cc2)n1-c1cccc(Cl)c1
BDBM50437289 OC(=O)CSc1nnc(-c2ccccc2Br)n1-c1cccc(Cl)c1
BDBM50437290 OC(=O)CSc1nnc(-c2ccccc2Cl)n1-c1cccc(Cl)c1
BDBM50437291 Cc1ccccc1-c1nnc(SCC(O)=O)n1-c1cccc(Cl)c1
BDBM50437292 OC(=O)CSc1nnc(-c2ccc(O)cc2)n1-c1ccc(Cl)c(Cl)c1
BDBM50437293 OC(=O)CSc1nnc(-c2ccc(cc2)[N+]([O-])=O)n1-c1ccc(Cl)c(Cl)c1
BDBM50437294 COc1ccc(cc1)-c1nnc(SCC(O)=O)n1-c1ccc(Cl)c(Cl)c1
BDBM50437295 OC(=O)CSc1nnc(-c2sc3ccccc3c2Cl)n1-c1ccccc1
BDBM50437296 OC(=O)c1sc2cc(ccc2c1Cl)-n1c(n[nH]c1=S)-c1ccccc1
BDBM50437297 Nc1ccc(cc1)-c1nnc(SCC(O)=O)n1-c1ccc(Cl)c(Cl)c1
BDBM50437298 OC(=O)c1cc2ccc(cc2s1)-n1c(n[nH]c1=S)-c1cccc(Oc2ccccc2)c1
BDBM50080584 OC(=O)c1cc(-c2ccc(CNC(=O)c3ccccc3)cc2)n(n1)-c1ccc(Cl)c(Cl)c1
BDBM50080769 Nc1ccc(cc1)-c1cc(nn1-c1ccc(Cl)c(Cl)c1)C(O)=O
BDBM50080783 COc1ccc(cc1)-c1cc(nn1-c1ccc(C)cc1)C(O)=O
BDBM50080817 COc1ccc(cc1)-n1nc(cc1-c1ccccc1)C(O)=O
BDBM50080819 OC(=O)c1cc(-c2ccccc2)n(n1)-c1ccccc1
BDBM50080823 OC(=O)c1cc(-c2ccc(CNC(=S)c3ccc(cc3)-c3nnn[nH]3)cc2)n(n1)-c1ccc(Cl)c(Cl)c1
BDBM50080828 OC(=O)c1cc(-c2ccc(cc2)C(=S)NCc2ccc(cc2Cl)-c2ccc(o2)C(O)=O)n(n1)-c1ccc(Cl)c(Cl)c1
BDBM50080855 OC(=O)c1cc(-c2ccc(cc2)C(=S)NCc2ccc(cc2)-c2ccc(o2)C(O)=O)n(n1)-c1ccc(Cl)c(Cl)c1
BDBM50080693 OC(=O)c1cc(Cc2ccc(O)cc2)n(n1)-c1ccc(Cl)c(Cl)c1
BDBM50080815 OC(=O)c1cc(-c2ccc(Cl)cc2)n(n1)-c1ccc(Cl)cc1Cl
BDBM50080673 COc1ccc(CNC(=O)c2ccc(cc2)-c2cc(nn2-c2ccc(Cl)c(Cl)c2)C(O)=O)cc1
BDBM50080674 OC(=O)c1cc(-c2ccc(cc2)C(=O)NCc2ccccc2)n(n1)-c1ccc(Cl)c(Cl)c1
BDBM50080767 OC(=O)c1cc(-c2ccco2)n(n1)-c1ccc(Cl)c(Cl)c1
BDBM50080768 OC(=O)c1cc(-c2ccc(O)cc2)n(n1)-c1ccc(Cl)c(Cl)c1
BDBM50080770 NCc1ccc(cc1)-c1cc(nn1-c1ccc(Cl)c(Cl)c1)C(O)=O
BDBM50080771 OC(=O)c1cc(-c2ccc(cc2)C#N)n(n1)-c1ccc(Cl)c(Cl)c1
BDBM50080772 OC(=O)c1cc(-c2ccc(cc2)C(O)=O)n(n1)-c1ccc(Cl)c(Cl)c1
BDBM50080773 OC(=O)c1cc(-c2cccc(c2)C(O)=O)n(n1)-c1ccc(Cl)c(Cl)c1
BDBM50080774 Cc1ccc(cc1)-c1cc(nn1-c1ccc(Cl)c(Cl)c1)C(O)=O
BDBM50080775 Cc1cccc(c1)-c1cc(nn1-c1ccc(Cl)c(Cl)c1)C(O)=O
BDBM50080776 OC(=O)c1cc(-c2ccccc2)n(n1)-c1ccc(Cl)c(Cl)c1
BDBM50080777 COc1ccc(cc1)-c1cc(nn1C1CCCCC1)C(O)=O
BDBM50080778 COc1ccc(cc1)-c1cc(nn1-c1ccc(Cl)c(Cl)c1)C(O)=O
BDBM50080779 COc1ccc(cc1)-c1cc(nn1-c1ccc(Cl)cc1)C(O)=O
BDBM50080780 COc1ccc(cc1)-c1cc(nn1-c1cccc(Cl)c1)C(O)=O
BDBM50080781 COc1ccc(cc1)-c1cc(nn1-c1ccc(Br)cc1)C(O)=O
BDBM50080782 COc1ccc(cc1)-c1cc(nn1-c1cccc(Br)c1)C(O)=O
BDBM50080784 COc1ccc(cc1)-c1cc(nn1-c1cccc(C)c1)C(O)=O
BDBM50080785 OC(=O)c1cc(-c2ccc(Cl)cc2)n(n1)-c1ccc(Cl)c(Cl)c1
BDBM50080816 OC(=O)c1cc(-c2ccc(Cl)cc2)n(n1)-c1ccc(Cl)cc1
BDBM50080820 OC(=O)c1ccc(o1)-c1ccc(C(=S)NCc2ccc(cc2)-c2ccnn2-c2ccc(Cl)c(Cl)c2)c(Cl)c1
BDBM50080822 OC(=O)c1cc(-c2ccc(CNC(=S)c3ccc(cc3)-c3nc(=O)o[nH]3)cc2)n(n1)-c1ccc(Cl)c(Cl)c1
BDBM50080824 NS(=O)(=O)c1ccc(cc1)C(=S)NCc1ccc(cc1)-c1cc(nn1-c1ccc(Cl)c(Cl)c1)C(O)=O
BDBM50080825 OC(=O)c1cc(-c2ccc(CN3CCc4cc(ccc4C3=S)-c3ccc(o3)C(O)=O)cc2)n(n1)-c1ccc(Cl)c(Cl)c1
BDBM50080829 OC(=O)c1cc(-c2ccc(cc2)C(=O)NCc2ccc(cc2Cl)-c2ccc(o2)C(O)=O)n(n1)-c1ccc(Cl)c(Cl)c1
BDBM50080853 OC(=O)c1cc(-c2ccc(CNC(=S)c3ccc(cc3)-c3ccc(o3)C(O)=O)cc2)n(n1)-c1ccc(Cl)c(Cl)c1
BDBM50080856 OC(=O)c1cc(-c2ccc(cc2)C(=S)NCc2cccc(c2)-c2ccc(o2)C(O)=O)n(n1)-c1ccc(Cl)c(Cl)c1
BDBM50080857 OC(=O)c1cc(-c2cccc(c2)C(=O)NCc2ccc(cc2)-c2ccc(o2)C(O)=O)n(n1)-c1ccc(Cl)c(Cl)c1
BDBM50080858 CC(=O)N(Cc1ccc(cc1)-c1ccc(o1)C(O)=O)Cc1cccc(c1)-c1cc(nn1-c1ccc(Cl)c(Cl)c1)C(O)=O
BDBM50080859 OC(=O)c1cc(-c2cccc(CNCc3ccc(cc3)-c3ccc(o3)C(O)=O)c2)n(n1)-c1ccc(Cl)c(Cl)c1
BDBM50080860 OC(=O)c1cc(-c2ccc(CNS(=O)(=O)c3ccc(OC(F)(F)F)cc3)cc2)n(n1)-c1ccc(Cl)c(Cl)c1
BDBM50080861 OC(=O)c1cc(-c2ccc(CNS(=O)(=O)c3ccccc3)cc2)n(n1)-c1ccc(Cl)c(Cl)c1
BDBM50080862 OC(=O)c1cc(-c2ccc(CNC(=S)c3ccc(Br)cc3)cc2)n(n1)-c1ccc(Cl)c(Cl)c1
BDBM50080863 COc1ccc(CNC(=S)c2ccc(cc2)-c2cc(nn2-c2ccc(Cl)c(Cl)c2)C(O)=O)cc1
BDBM50080864 OC(=O)c1cc(-c2ccc(cc2)C(=S)NCc2ccccc2)n(n1)-c1ccc(Cl)c(Cl)c1
BDBM50080865 OC(=O)c1cc(-c2ccc(CNC(=O)c3ccc(Br)cc3)cc2)n(n1)-c1ccc(Cl)c(Cl)c1
BDBM50080866 COc1ccc(cc1)C(=O)NCc1ccc(cc1)-c1cc(nn1-c1ccc(Cl)c(Cl)c1)C(O)=O
BDBM260646 CCOc1ccc2cc(C3CC(=NN3C(=O)CCC(O)=O)c3ccc(Br)cc3)c(Cl)nc2c1 |c:11|
BDBM260647 CCN(CC)c1ccc(cc1)C1CC(=NN1C(=O)CCC(O)=O)c1ccc(Br)cc1 |c:14|
BDBM260648 COc1ccc(cc1)C1=NN(C(C1)c1cn(nc1-c1ccc(C)cc1)-c1ccccc1)C(=O)CCC(O)=O |t:9|
BDBM260649 Cc1ccc(cc1)-c1nn(cc1C1CC(=NN1C(=O)CCC(O)=O)c1ccc(Br)cc1)-c1ccccc1 |c:16|
BDBM260650 COc1ccc(cc1)-c1nn(cc1C1CC(=NN1C(=O)CCC(O)=O)c1ccc(Br)cc1)-c1ccccc1 |c:17|
BDBM461270 CCOc1ccc2cc(C3CC(=NN3C(=O)CCCC(O)=O)c3ccc(Br)cc3)c(Cl)nc2c1 |c:11|
BDBM461287 CCOc1ccc2cc(C3CC(=NN3C(=O)CCCCC(O)=O)c3ccc(I)cc3)c(Cl)nc2c1 |c:11|
BDBM461255 COc1ccc(cc1OC)C1CC(=NN1C(=O)CCCC(O)=O)c1ccccc1 |c:13|
BDBM461259 COc1ccc(cc1OC)C1CC(=NN1C(=O)CCCC(O)=O)c1ccc(C)cc1 |c:13|
BDBM461269 COc1ccc(cc1)C1=NN(C(C1)c1ccccc1OC)C(=O)CCCC(O)=O |t:9|
BDBM461271 CCOc1ccc2cc(C3CC(=NN3C(=O)CCC(O)=O)c3ccc(C)cc3)c(Cl)nc2c1 |c:11|
BDBM461272 COc1ccc2cc(C3CC(=NN3C(=O)CCC(O)=O)c3ccc(Cl)cc3)c(Cl)nc2c1 |c:10|
BDBM461273 COc1ccc(cc1)C1=NN(C(C1)c1cc2ccc(OC)cc2nc1Cl)C(=O)CCC(O)=O |t:9|
BDBM461274 COc1ccc2cc(C3CC(=NN3C(=O)CCC(O)=O)c3ccc(OC)c(OC)c3)c(Cl)nc2c1 |c:10|
BDBM461275 COc1ccc2cc(C3CC(=NN3C(=O)CCCC(O)=O)c3ccc(C)cc3)c(Cl)nc2c1 |c:10|
BDBM461276 COc1ccc2cc(C3CC(=NN3C(=O)CCCC(O)=O)c3ccc(Cl)cc3)c(Cl)nc2c1 |c:10|
BDBM461277 COc1ccc2cc(C3CC(=NN3C(=O)CCCC(O)=O)c3ccc(OC)c(OC)c3)c(Cl)nc2c1 |c:10|
BDBM461278 OC(=O)CCCC(=O)N1N=C(CC1c1cc2cc3OCCOc3cc2nc1Cl)c1ccccc1 |c:9|
BDBM461280 COc1ccc2cc(C3CC(=NN3C(=O)CCCC(O)=O)c3ccc(Br)cc3)c(Cl)nc2c1 |c:10|
BDBM461281 COc1ccc2cc(C3CC(=NN3C(=O)CCCC(O)=O)c3ccc(F)cc3)c(Cl)nc2c1 |c:10|
BDBM461282 CCOc1ccc2cc(C3CC(=NN3C(=O)CCCCC(O)=O)c3ccc(Br)cc3)c(Cl)nc2c1 |c:11|
BDBM461283 COc1ccc2cc(C3CC(=NN3C(=O)CCCCC(O)=O)c3ccc(F)cc3)c(Cl)nc2c1 |c:10|
BDBM461285 COc1ccc2cc(C3CC(=NN3C(=O)CCCCC(O)=O)c3ccc(Br)cc3)c(Cl)nc2c1 |c:10|
BDBM461286 CC(C)Oc1ccc2cc(C3CC(=NN3C(=O)CCCCC(O)=O)c3ccc(Br)cc3)c(Cl)nc2c1 |c:12|
BDBM461288 CCOc1ccc2cc(C3CC(=NN3C(=O)CCCCC(O)=O)c3ccc(OC(F)(F)F)cc3)c(Cl)nc2c1 |c:11|
BDBM461289 CCOc1ccc2cc(C3CC(=NN3C(=O)CCCCC(O)=O)c3cccc(I)c3)c(Cl)nc2c1 |c:11|
BDBM461290 CCOc1ccc2cc(C3CC(=NN3c3cccc(c3)C(O)=O)c3ccc(I)cc3)c(Cl)nc2c1 |c:11|
BDBM461291 CCOc1ccc2cc(C3CC(=NN3c3ccc(cc3)C(O)=O)c3ccc(I)cc3)c(Cl)nc2c1 |c:11|
BDBM461292 COc1ccc2cc(C3CC(=NN3C(=O)CCCC(O)=O)c3ccc(I)cc3)c(Cl)nc2c1 |c:10|