SMILES for Chromobox protein homolog 1

13 SMILES Strings for Chromobox protein homolog 1

Compound Name

SMILES String

CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccccc1)NC(=O)CCNC(=S)Nc1ccc(c(c1)C(O)=O)-c1c2ccc(O)cc2oc2cc(=O)ccc12)C(=O)N[C@@H](CCCC[N+](C)(C)C)C(=O)N[C@@H](CO)C(N)=O |r,wU:13.13,4.3,70.75,wD:8.8,58.63,(35.09,-7.72,;35.09,-9.26,;36.42,-10.04,;33.75,-10.04,;33.75,-11.58,;32.42,-12.34,;31.09,-11.58,;31.09,-10.04,;29.75,-12.34,;29.75,-13.89,;28.42,-11.58,;27.08,-12.34,;27.08,-13.89,;25.74,-11.58,;25.74,-10.04,;27.08,-9.26,;28.42,-10.04,;29.75,-9.27,;29.75,-7.72,;28.41,-6.96,;27.08,-7.73,;24.41,-12.34,;23.07,-11.58,;23.07,-10.04,;21.74,-12.34,;20.41,-11.58,;19.07,-12.34,;17.75,-11.57,;17.75,-10.04,;16.42,-12.34,;15.09,-11.57,;13.77,-12.34,;12.44,-11.57,;12.44,-10.03,;13.78,-9.27,;15.1,-10.04,;13.78,-7.73,;15.11,-6.97,;13.37,-6.24,;11.12,-9.26,;9.8,-10.02,;9.79,-11.55,;8.47,-12.31,;7.13,-11.54,;5.8,-12.3,;7.14,-10.01,;8.47,-9.25,;8.47,-7.71,;9.81,-6.95,;9.81,-5.44,;11.12,-4.68,;11.13,-3.14,;12.45,-5.44,;12.44,-6.97,;11.12,-7.72,;35.09,-12.34,;35.09,-13.89,;36.42,-11.58,;37.76,-12.34,;37.76,-13.89,;39.09,-14.66,;39.09,-16.2,;40.43,-16.97,;40.43,-18.51,;41.76,-19.28,;39.09,-19.28,;40.42,-20.04,;39.09,-11.58,;39.09,-10.04,;40.43,-12.34,;41.76,-11.58,;41.76,-10.04,;43.09,-9.26,;43.09,-12.34,;44.43,-11.58,;43.09,-13.89,)|

BDBM50538809

CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)CCNC(=S)Nc1ccc(c(c1)C(O)=O)-c1c2ccc(O)cc2oc2cc(=O)ccc12)C(=O)N[C@@H](CCCC[N+](C)(C)C)C(=O)N[C@@H](CO)C(N)=O |r,wU:13.13,4.3,81.87,wD:8.8,69.75,24.25,(37.52,-27.88,;37.52,-29.42,;38.86,-30.2,;36.18,-30.2,;36.18,-31.75,;34.84,-32.51,;33.5,-31.75,;33.5,-30.2,;32.16,-32.51,;32.16,-34.06,;30.82,-31.75,;29.48,-32.51,;29.48,-34.06,;28.14,-31.75,;28.14,-30.2,;29.48,-29.42,;30.82,-30.2,;32.16,-29.43,;32.16,-27.88,;30.81,-27.11,;29.48,-27.88,;26.8,-32.51,;25.46,-31.75,;25.46,-30.2,;24.12,-32.51,;24.12,-34.05,;25.45,-34.82,;25.44,-36.36,;26.77,-37.13,;28.11,-36.37,;28.11,-34.82,;26.78,-34.06,;22.79,-31.75,;21.46,-32.51,;21.46,-34.05,;20.13,-31.75,;18.79,-32.51,;17.46,-31.75,;16.13,-32.51,;16.13,-34.05,;14.8,-31.75,;13.47,-32.51,;13.47,-34.04,;12.14,-34.82,;10.8,-34.05,;10.8,-32.51,;12.13,-31.74,;9.47,-31.74,;9.47,-30.2,;8.69,-33.06,;9.47,-34.82,;9.48,-36.36,;10.8,-37.13,;10.81,-38.66,;9.47,-39.44,;9.47,-40.97,;8.14,-38.66,;8.14,-37.13,;6.8,-36.33,;6.81,-34.82,;5.49,-34.06,;5.49,-32.54,;4.15,-31.78,;6.81,-31.77,;8.13,-32.53,;8.13,-34.06,;37.52,-32.51,;37.52,-34.06,;38.86,-31.75,;40.2,-32.51,;40.2,-34.06,;41.54,-34.84,;41.54,-36.38,;42.88,-37.15,;42.88,-38.7,;44.22,-39.48,;41.54,-39.48,;42.86,-40.24,;41.54,-31.75,;41.54,-30.2,;42.88,-32.51,;44.22,-31.75,;44.22,-30.2,;45.55,-29.42,;45.55,-32.51,;46.89,-31.75,;45.55,-34.06,)|

BDBM50538814

CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(C)=O)C(=O)N[C@@H](CCCC[N+](C)(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCCCNC(=S)Nc1ccc(c(c1)C(O)=O)-c1c2ccc(O)cc2oc2cc(=O)ccc12)C(N)=O |r,wU:13.13,4.3,51.53,66.68,wD:8.8,39.41,57.59,24.25,(24.25,-45.3,;24.26,-46.84,;25.6,-47.6,;22.93,-47.61,;22.94,-49.16,;21.6,-49.94,;20.25,-49.17,;20.25,-47.62,;18.91,-49.95,;18.92,-51.49,;17.57,-49.18,;16.24,-49.96,;16.25,-51.5,;14.9,-49.19,;14.89,-47.64,;16.23,-46.86,;17.56,-47.64,;18.9,-46.86,;18.89,-45.31,;17.54,-44.55,;16.21,-45.32,;13.56,-49.97,;12.21,-49.2,;12.21,-47.65,;10.88,-49.98,;10.89,-51.52,;9.56,-52.3,;8.23,-51.53,;6.9,-52.3,;6.9,-53.84,;8.25,-54.6,;9.57,-53.83,;9.55,-49.22,;9.54,-47.68,;8.2,-46.91,;10.87,-46.9,;24.28,-49.93,;24.29,-51.47,;25.62,-49.15,;26.95,-49.92,;26.96,-51.46,;28.3,-52.24,;28.31,-53.78,;29.65,-54.55,;29.66,-56.1,;31,-56.87,;28.32,-56.88,;29.65,-57.64,;28.29,-49.14,;28.29,-47.59,;29.64,-49.91,;30.98,-49.13,;30.97,-47.58,;32.31,-46.8,;32.32,-49.9,;32.33,-51.44,;33.66,-49.12,;34.99,-49.89,;34.99,-51.43,;36.33,-52.2,;36.33,-53.74,;37.67,-54.51,;35,-54.51,;36.33,-49.12,;36.32,-47.58,;37.66,-49.89,;38.99,-49.12,;38.99,-47.58,;40.32,-46.8,;40.32,-45.26,;41.65,-44.49,;41.65,-42.95,;40.32,-42.18,;38.99,-42.96,;40.32,-40.64,;38.98,-39.88,;38.99,-38.34,;37.65,-37.57,;36.32,-38.34,;36.33,-39.89,;37.66,-40.65,;35,-40.66,;35,-42.2,;33.45,-40.65,;34.98,-37.57,;34.99,-36.03,;36.31,-35.26,;36.3,-33.72,;34.96,-32.96,;34.95,-31.43,;33.65,-33.74,;33.66,-35.27,;32.32,-36.03,;32.32,-37.56,;30.98,-38.33,;30.98,-39.87,;29.64,-40.64,;32.32,-40.65,;33.67,-39.89,;33.66,-38.34,;40.33,-49.88,;41.66,-49.11,;40.33,-51.42,)|

BDBM50009454

CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccccc1)NC(C)=O)C(=O)N[C@@H](CCCC[N+](C)(C)C)C(=O)N[C@@H](CO)C(N)=O |r|

BDBM50538810

CC(C)C[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](CCCC[N+](C)(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccc(Br)cc1)C(=O)N[C@@H](CCCCNC(=S)Nc1ccc(c(c1)C(O)=O)-c1c2ccc(O)cc2oc2cc(=O)ccc12)C(N)=O |r,wU:43.44,26.26,8.8,64.67,wD:38.39,14.14,4.3,(34.16,-23.45,;34.15,-21.92,;35.48,-21.15,;32.82,-21.15,;32.82,-19.62,;31.49,-18.85,;30.16,-19.62,;30.16,-21.17,;28.82,-18.86,;28.81,-17.32,;30.15,-16.54,;27.48,-19.63,;26.15,-18.87,;26.14,-17.33,;24.81,-19.64,;24.82,-21.19,;26.16,-21.96,;26.16,-23.5,;27.5,-24.26,;27.51,-25.8,;28.85,-26.58,;26.17,-26.59,;27.49,-27.35,;23.48,-18.88,;22.15,-19.65,;22.15,-21.2,;20.81,-18.89,;20.8,-17.35,;22.13,-16.57,;23.47,-17.35,;24.79,-16.57,;24.79,-15.02,;26.12,-14.25,;23.45,-14.26,;22.12,-15.04,;19.47,-19.67,;18.13,-18.9,;18.13,-17.36,;16.8,-19.67,;16.8,-21.22,;15.46,-18.91,;14.13,-19.68,;14.14,-21.23,;12.79,-18.92,;12.79,-17.38,;14.12,-16.6,;15.45,-17.38,;16.78,-16.6,;16.77,-15.05,;15.42,-14.29,;14.1,-15.07,;11.46,-19.7,;10.12,-18.93,;10.11,-17.39,;8.78,-19.71,;7.45,-18.94,;6.11,-19.71,;6.11,-21.26,;4.77,-22.03,;7.45,-22.03,;8.79,-21.26,;34.15,-18.85,;34.15,-17.31,;35.48,-19.61,;36.81,-18.85,;36.81,-17.31,;38.14,-16.54,;38.13,-15.01,;39.46,-14.24,;39.46,-12.7,;38.13,-11.94,;36.8,-12.71,;38.13,-10.4,;36.8,-9.64,;36.8,-8.1,;35.47,-7.34,;34.14,-8.11,;34.15,-9.65,;35.48,-10.41,;32.83,-10.42,;32.83,-11.96,;31.28,-10.41,;32.81,-7.34,;32.82,-5.8,;34.13,-5.03,;34.13,-3.5,;32.79,-2.75,;32.78,-1.21,;31.48,-3.52,;31.49,-5.04,;30.16,-5.8,;30.16,-7.33,;28.83,-8.1,;28.82,-9.64,;27.49,-10.4,;30.16,-10.41,;31.5,-9.65,;31.49,-8.11,;38.14,-19.61,;39.47,-18.84,;38.14,-21.15,)|

BDBM50155932

CC(C)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccc(Br)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCC[N+](C)(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCCCNC(=S)Nc1ccc(c(c1)C(O)=O)-c1c2ccc(O)cc2oc2cc(=O)ccc12)C(N)=O |r,wU:7.7,28.30,52.55,wD:3.2,40.43,58.61,67.70,(12.31,33.27,;13.38,33.88,;13.37,35.11,;14.71,33.11,;16.05,33.88,;16.05,35.42,;14.98,36.04,;17.38,36.19,;18.71,35.42,;18.71,33.88,;20.04,33.1,;20.03,31.56,;18.7,30.8,;17.37,31.57,;17.37,33.11,;17.38,37.73,;18.72,38.5,;19.79,37.89,;18.72,40.04,;20.05,40.82,;20.05,42.36,;18.72,43.12,;18.72,44.36,;17.39,42.35,;17.39,40.81,;14.71,31.57,;15.77,30.96,;13.37,30.8,;13.37,29.26,;14.7,28.49,;14.7,26.95,;16.03,26.17,;16.02,24.63,;14.69,23.87,;14.68,22.64,;13.36,24.64,;13.36,26.18,;12.04,28.49,;10.97,29.11,;12.03,26.95,;10.7,26.18,;9.36,26.95,;8.03,26.18,;6.7,26.95,;5.36,26.18,;4.03,26.95,;2.96,26.33,;2.96,27.56,;4.03,28.18,;10.7,24.64,;11.76,24.03,;9.36,23.87,;9.36,22.33,;10.69,21.56,;10.69,20.33,;8.03,21.56,;6.96,22.18,;8.02,20.02,;6.69,19.25,;5.35,20.02,;4.02,19.25,;2.68,20.02,;2.68,21.25,;1.62,19.4,;6.69,17.71,;7.75,17.09,;5.35,16.94,;5.35,15.4,;4.02,14.63,;4.01,13.09,;2.68,12.32,;2.68,10.78,;1.34,10.01,;1.34,8.47,;2.41,7.85,;0,7.7,;0,6.16,;-1.33,5.39,;-1.33,3.85,;0,3.08,;1.34,3.85,;1.34,5.39,;2.67,3.09,;2.68,2.06,;3.74,3.7,;,1.54,;-1.33,.77,;-2.67,1.54,;-4,.77,;-4,-.77,;-5.07,-1.39,;-2.67,-1.54,;-1.33,-.77,;,-1.54,;1.31,-.77,;2.67,-1.54,;4,-.77,;5.07,-1.39,;4,.77,;2.67,1.54,;1.31,.77,;6.68,14.63,;7.75,15.24,;6.68,13.4,)|

BDBM50194259

CCN(CC)CCCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccc(cc1)C(C)(C)C)C(=O)N[C@@H](CO)C(=O)OC |r|

BDBM50538813

CC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(C)=O)C(=O)N[C@@H](C1CCCC1)C(=O)N[C@@H](CCCC[N+](C)(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCCCNC(=S)Nc1ccc(c(c1)C(O)=O)-c1c2ccc(O)cc2oc2cc(=O)ccc12)C(N)=O |r,wU:6.6,32.34,53.56,68.71,wD:2.1,41.44,59.62,17.18,(15.82,-23.23,;17.15,-22.46,;17.15,-20.91,;15.8,-20.15,;14.48,-20.92,;14.48,-22.47,;13.13,-20.16,;13.13,-18.61,;14.46,-17.83,;15.79,-18.61,;17.13,-17.83,;17.12,-16.28,;15.77,-15.51,;14.45,-16.29,;11.8,-20.93,;10.45,-20.17,;10.45,-18.62,;9.12,-20.94,;9.13,-22.48,;7.8,-23.26,;6.47,-22.49,;5.14,-23.26,;5.15,-24.8,;6.5,-25.56,;7.82,-24.78,;7.79,-20.18,;7.78,-18.64,;6.44,-17.88,;9.11,-17.86,;18.48,-20.14,;18.48,-18.59,;19.83,-20.9,;21.16,-20.13,;21.16,-18.58,;22.4,-17.67,;21.92,-16.2,;20.37,-16.2,;19.9,-17.67,;22.51,-20.89,;22.51,-22.44,;23.84,-20.12,;25.18,-20.88,;25.19,-22.43,;26.53,-23.2,;26.53,-24.74,;27.88,-25.51,;27.88,-27.05,;29.23,-27.83,;26.55,-27.84,;27.87,-28.6,;26.52,-20.11,;26.51,-18.56,;27.86,-20.87,;29.2,-20.1,;29.19,-18.55,;30.53,-17.77,;30.54,-20.86,;30.55,-22.41,;31.88,-20.08,;33.21,-20.85,;33.21,-22.39,;34.55,-23.16,;34.55,-24.7,;35.88,-25.46,;33.22,-25.47,;34.54,-20.08,;34.54,-18.54,;35.87,-20.85,;37.21,-20.08,;37.2,-18.54,;38.54,-17.77,;38.53,-16.23,;39.86,-15.46,;39.86,-13.92,;38.53,-13.15,;37.2,-13.93,;38.53,-11.62,;37.19,-10.85,;37.2,-9.31,;35.87,-8.54,;34.53,-9.31,;34.54,-10.86,;35.87,-11.62,;33.21,-11.64,;33.22,-13.17,;31.67,-11.62,;33.2,-8.55,;33.21,-7,;34.52,-6.23,;34.52,-4.7,;33.18,-3.94,;33.17,-2.41,;31.87,-4.72,;31.88,-6.24,;30.54,-7,;30.54,-8.54,;29.21,-9.3,;29.2,-10.85,;27.87,-11.61,;30.54,-11.62,;31.89,-10.86,;31.88,-9.32,;38.54,-20.85,;39.87,-20.08,;38.54,-22.38,)|

BDBM50538812

CC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccc(Br)cc1)C(=O)N[C@@H](C1CCCC1)C(=O)N[C@@H](CCCC[N+](C)(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCCCNC(=S)Nc1ccc(c(c1)C(O)=O)-c1c2ccc(O)cc2oc2cc(=O)ccc12)C(N)=O |r,wU:6.6,27.29,48.51,63.66,wD:2.1,36.39,54.57,(19.36,-51.16,;20.69,-50.39,;20.68,-48.85,;19.34,-48.08,;18.02,-48.86,;18.02,-50.4,;16.68,-48.09,;16.67,-46.55,;18.01,-45.77,;19.33,-46.55,;20.66,-45.77,;20.66,-44.23,;19.31,-43.46,;17.99,-44.24,;15.34,-48.87,;14.01,-48.1,;14,-46.56,;12.67,-48.88,;11.33,-48.11,;10,-48.88,;10,-50.43,;8.66,-51.2,;11.34,-51.2,;12.68,-50.43,;22.02,-48.07,;22.01,-46.53,;23.36,-48.84,;24.69,-48.06,;24.68,-46.52,;25.92,-45.61,;25.44,-44.14,;23.9,-44.15,;23.43,-45.62,;26.03,-48.83,;26.03,-50.37,;27.36,-48.05,;28.69,-48.81,;28.7,-50.36,;30.04,-51.13,;30.05,-52.67,;31.38,-53.43,;31.39,-54.97,;32.73,-55.74,;30.06,-55.75,;31.38,-56.51,;30.03,-48.04,;30.02,-46.5,;31.37,-48.81,;32.7,-48.03,;32.7,-46.49,;34.03,-45.71,;34.04,-48.8,;34.05,-50.34,;35.37,-48.02,;36.7,-48.79,;36.71,-50.32,;38.04,-51.09,;38.04,-52.62,;39.37,-53.39,;36.71,-53.39,;38.03,-48.02,;38.03,-46.49,;39.36,-48.79,;40.69,-48.02,;40.69,-46.48,;42.01,-45.71,;42.01,-44.18,;43.34,-43.41,;43.34,-41.88,;42.01,-41.11,;40.68,-41.88,;42.01,-39.58,;40.68,-38.81,;40.68,-37.28,;39.35,-36.51,;38.03,-37.28,;38.03,-38.82,;39.36,-39.58,;36.71,-39.6,;36.71,-41.13,;35.17,-39.58,;36.69,-36.52,;36.7,-34.98,;38.02,-34.21,;38.01,-32.68,;36.67,-31.92,;36.66,-30.39,;35.36,-32.7,;35.37,-34.22,;34.04,-34.97,;34.04,-36.51,;32.71,-37.27,;32.7,-38.81,;31.37,-39.57,;34.04,-39.58,;35.38,-38.82,;35.37,-37.28,;42.02,-48.78,;43.35,-48.01,;42.02,-50.32,)|

BDBM50155893

CC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccc(Br)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCC[N+](C)(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCCCNC(=S)Nc1ccc(c(c1)C(O)=O)-c1c2ccc(O)cc2oc2cc(=O)ccc12)C(N)=O |r,wU:6.6,27.29,51.54,wD:2.1,39.42,57.60,66.69,(12.31,33.27,;13.38,33.88,;14.71,33.11,;16.05,33.88,;16.05,35.42,;14.98,36.04,;17.38,36.19,;18.71,35.42,;18.71,33.88,;20.04,33.1,;20.03,31.56,;18.7,30.8,;17.37,31.57,;17.37,33.11,;17.38,37.73,;18.72,38.5,;19.79,37.89,;18.72,40.04,;20.05,40.82,;20.05,42.36,;18.72,43.12,;18.72,44.36,;17.39,42.35,;17.39,40.81,;14.71,31.57,;15.77,30.96,;13.37,30.8,;13.37,29.26,;14.7,28.49,;14.7,26.95,;16.03,26.17,;16.02,24.63,;14.69,23.87,;14.68,22.64,;13.36,24.64,;13.36,26.18,;12.04,28.49,;10.97,29.11,;12.03,26.95,;10.7,26.18,;9.36,26.95,;8.03,26.18,;6.7,26.95,;5.36,26.18,;4.03,26.95,;2.96,26.33,;2.96,27.56,;4.03,28.18,;10.7,24.64,;11.76,24.03,;9.36,23.87,;9.36,22.33,;10.69,21.56,;10.69,20.33,;8.03,21.56,;6.96,22.18,;8.02,20.02,;6.69,19.25,;5.35,20.02,;4.02,19.25,;2.68,20.02,;2.68,21.25,;1.62,19.4,;6.69,17.71,;7.75,17.09,;5.35,16.94,;5.35,15.4,;4.02,14.63,;4.01,13.09,;2.68,12.32,;2.68,10.78,;1.34,10.01,;1.34,8.47,;2.41,7.85,;0,7.7,;0,6.16,;-1.33,5.39,;-1.33,3.85,;0,3.08,;1.34,3.85,;1.34,5.39,;2.67,3.09,;2.68,2.06,;3.74,3.7,;,1.54,;-1.33,.77,;-2.67,1.54,;-4,.77,;-4,-.77,;-5.07,-1.39,;-2.67,-1.54,;-1.33,-.77,;,-1.54,;1.31,-.77,;2.67,-1.54,;4,-.77,;5.07,-1.39,;4,.77,;2.67,1.54,;1.31,.77,;6.68,14.63,;7.75,15.24,;6.68,13.4,)|

BDBM50538811

CC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccc(Br)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCC[N+](C)(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCCCNC(=S)Nc1ccc(c(c1)C(O)=O)-c1c2ccc(O)cc2oc2cc(=O)ccc12)C(N)=O |r,wU:6.6,27.29,50.53,65.68,wD:2.1,38.41,56.59,(17.88,-23.34,;19.21,-22.57,;19.2,-21.02,;17.86,-20.26,;16.54,-21.04,;16.54,-22.58,;15.2,-20.27,;15.19,-18.73,;16.52,-17.95,;17.85,-18.73,;19.18,-17.95,;19.18,-16.4,;17.83,-15.64,;16.51,-16.42,;13.86,-21.04,;12.52,-20.28,;12.52,-18.74,;11.19,-21.05,;9.85,-20.29,;8.52,-21.06,;8.51,-22.61,;7.18,-23.38,;9.85,-23.38,;11.19,-22.61,;20.54,-20.25,;20.53,-18.71,;21.88,-21.01,;23.21,-20.24,;23.2,-18.7,;24.54,-17.92,;25.87,-18.7,;27.2,-17.92,;27.19,-16.37,;25.85,-15.61,;24.52,-16.39,;24.55,-21,;24.56,-22.55,;25.88,-20.23,;27.22,-20.99,;27.22,-22.54,;28.56,-23.31,;28.57,-24.85,;29.91,-25.61,;29.91,-27.16,;31.25,-27.93,;28.58,-27.94,;29.9,-28.7,;28.55,-20.22,;28.54,-18.68,;29.89,-20.98,;31.22,-20.21,;31.22,-18.67,;32.55,-17.89,;32.56,-20.97,;32.57,-22.52,;33.9,-20.2,;35.23,-20.97,;35.23,-22.5,;36.56,-23.27,;36.56,-24.8,;37.89,-25.57,;35.23,-25.57,;36.56,-20.2,;36.55,-18.66,;37.89,-20.96,;39.21,-20.2,;39.21,-18.66,;40.54,-17.89,;40.54,-16.36,;41.87,-15.59,;41.87,-14.05,;40.54,-13.29,;39.21,-14.06,;40.53,-11.75,;39.2,-10.99,;39.21,-9.45,;37.88,-8.69,;36.55,-9.46,;36.56,-11,;37.89,-11.76,;35.23,-11.77,;35.24,-13.31,;33.69,-11.76,;35.22,-8.69,;35.22,-7.15,;36.54,-6.38,;36.53,-4.85,;35.2,-4.1,;35.18,-2.56,;33.89,-4.87,;33.9,-6.39,;32.57,-7.15,;32.57,-8.68,;31.23,-9.44,;31.23,-10.99,;29.9,-11.75,;32.57,-11.76,;33.91,-11,;33.9,-9.46,;40.54,-20.96,;41.87,-20.19,;40.55,-22.5,)|

BDBM50009555

COC(=O)c1ccc(cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](C)C(=O)N[C@@H](C1CCCC1)C(=O)N[C@@H](CCCC[N+](C)(C)C)C(=O)NC(CO)CO |r|

BDBM50155931

C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccc(Br)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCC[N+](C)(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCCCNC(=S)Nc1ccc(c(c1)C(O)=O)-c1c2ccc(O)cc2oc2cc(=O)ccc12)C(N)=O |r,wU:5.5,26.28,50.53,wD:1.0,38.41,56.59,65.68,(13.64,33.73,;14.71,33.11,;16.05,33.88,;16.05,35.42,;14.98,36.04,;17.38,36.19,;18.71,35.42,;18.71,33.88,;20.04,33.1,;20.03,31.56,;18.7,30.8,;17.37,31.57,;17.37,33.11,;17.38,37.73,;18.72,38.5,;19.79,37.89,;18.72,40.04,;20.05,40.82,;20.05,42.36,;18.72,43.12,;18.72,44.36,;17.39,42.35,;17.39,40.81,;14.71,31.57,;15.77,30.96,;13.37,30.8,;13.37,29.26,;14.7,28.49,;14.7,26.95,;16.03,26.17,;16.02,24.63,;14.69,23.87,;14.68,22.64,;13.36,24.64,;13.36,26.18,;12.04,28.49,;10.97,29.11,;12.03,26.95,;10.7,26.18,;9.36,26.95,;8.03,26.18,;6.7,26.95,;5.36,26.18,;4.03,26.95,;2.96,26.33,;2.96,27.56,;4.03,28.18,;10.7,24.64,;11.76,24.03,;9.36,23.87,;9.36,22.33,;10.69,21.56,;10.69,20.33,;8.03,21.56,;6.96,22.18,;8.02,20.02,;6.69,19.25,;5.35,20.02,;4.02,19.25,;2.68,20.02,;2.68,21.25,;1.62,19.4,;6.69,17.71,;7.75,17.09,;5.35,16.94,;5.35,15.4,;4.02,14.63,;4.01,13.09,;2.68,12.32,;2.68,10.78,;1.34,10.01,;1.34,8.47,;2.41,7.85,;0,7.7,;0,6.16,;-1.33,5.39,;-1.33,3.85,;0,3.08,;1.34,3.85,;1.34,5.39,;2.67,3.09,;2.68,2.06,;3.74,3.7,;,1.54,;-1.33,.77,;-2.67,1.54,;-4,.77,;-4,-.77,;-5.07,-1.39,;-2.67,-1.54,;-1.33,-.77,;,-1.54,;1.31,-.77,;2.67,-1.54,;4,-.77,;5.07,-1.39,;4,.77,;2.67,1.54,;1.31,.77,;6.68,14.63,;7.75,15.24,;6.68,13.4,)|