Compound Name

SMILES String

CC(C)c1nccc(C)c1-n1c2nc(c(Cl)cc2c(nc1=O)N1C[C@@H](C)N(C[C@@H]1C)C(=O)C=C)-c1ccccc1F |r,wU:28.32,wD:24.27,(-2.79,-4.73,;-1.46,-5.5,;-1.46,-7.04,;-.12,-4.73,;.65,-6.07,;2.19,-6.07,;2.96,-4.73,;2.19,-3.4,;2.96,-2.07,;.65,-3.4,;-.12,-2.07,;.67,-.73,;2.21,-.73,;2.98,.6,;2.21,1.94,;2.98,3.27,;.67,1.94,;-.1,.6,;-1.64,.6,;-2.41,-.73,;-1.64,-2.07,;-2.41,-3.4,;-2.53,1.86,;-1.88,3.26,;-2.76,4.52,;-2.11,5.92,;-4.29,4.39,;-4.95,2.99,;-4.06,1.73,;-4.71,.33,;-5.18,5.65,;-4.53,7.04,;-6.71,5.51,;-7.6,6.77,;4.52,.6,;5.29,-.73,;6.83,-.73,;7.6,.6,;6.83,1.94,;5.29,1.94,;4.52,3.27,)|

CC(C)c1nccc(C)c1-n1c2nc(c(Cl)cc2c(nc1=O)N1C[C@@H](C)N(C[C@@H]1C)C(=O)C=C)-c1c(O)cccc1F |r,wU:28.32,wD:24.27,(-5.82,-7.11,;-5.05,-5.78,;-5.82,-4.44,;-3.51,-5.78,;-3.51,-7.31,;-2.18,-8.08,;-.85,-7.31,;-.85,-5.78,;.49,-5,;-2.18,-5,;-2.18,-3.47,;-.85,-2.69,;.49,-3.47,;1.82,-2.69,;1.82,-1.15,;3.16,-.38,;.49,-.38,;-.85,-1.15,;-2.18,-.38,;-3.51,-1.15,;-3.51,-2.69,;-4.85,-3.47,;-2.18,1.15,;-.85,1.93,;-.85,3.47,;.49,4.23,;-2.18,4.23,;-3.51,3.47,;-3.51,1.93,;-4.85,1.15,;-2.18,5.78,;-3.51,6.54,;-.85,6.54,;-.85,8.08,;3.16,-3.47,;3.16,-5,;1.82,-5.78,;4.49,-5.78,;5.82,-5,;5.82,-3.47,;4.49,-2.69,;4.49,-1.15,)|

CC(C)c1nccc(C)c1-n1c2nc(c(Cl)cc2c(nc1=O)N1C[C@@H](C)N(C[C@@H]1C)C(=O)C=C)-c1c(N)cccc1F |r,wU:28.32,wD:24.27,(-5.82,-7.11,;-5.05,-5.78,;-5.82,-4.44,;-3.51,-5.78,;-3.51,-7.31,;-2.18,-8.08,;-.85,-7.31,;-.85,-5.78,;.49,-5,;-2.18,-5,;-2.18,-3.47,;-.85,-2.69,;.49,-3.47,;1.82,-2.69,;1.82,-1.15,;3.16,-.38,;.49,-.38,;-.85,-1.15,;-2.18,-.38,;-3.51,-1.15,;-3.51,-2.69,;-4.85,-3.47,;-2.18,1.15,;-.85,1.93,;-.85,3.47,;.49,4.23,;-2.18,4.23,;-3.51,3.47,;-3.51,1.93,;-4.85,1.15,;-2.18,5.78,;-3.51,6.54,;-.85,6.54,;-.85,8.08,;3.16,-3.47,;3.16,-5,;1.82,-5.78,;4.49,-5.78,;5.82,-5,;5.82,-3.47,;4.49,-2.69,;4.49,-1.15,)|

CC(C)c1nccc(C)c1-n1c2nc(c(F)cc2c(nc1=O)N1C[C@@H](C)N(C[C@@H]1C)C(=O)C=C)-c1ccccc1F |r,wU:28.32,wD:24.27,(-5.82,-7.11,;-5.05,-5.78,;-5.82,-4.44,;-3.51,-5.78,;-3.51,-7.31,;-2.18,-8.08,;-.85,-7.31,;-.85,-5.78,;.49,-5,;-2.18,-5,;-2.18,-3.47,;-.85,-2.69,;.49,-3.47,;1.82,-2.69,;1.82,-1.15,;3.16,-.38,;.49,-.38,;-.85,-1.15,;-2.18,-.38,;-3.51,-1.15,;-3.51,-2.69,;-4.85,-3.47,;-2.18,1.15,;-.85,1.93,;-.85,3.47,;.49,4.23,;-2.18,4.23,;-3.51,3.47,;-3.51,1.93,;-4.85,1.15,;-2.18,5.78,;-3.51,6.54,;-.85,6.54,;-.85,8.08,;3.16,-3.47,;3.16,-5,;4.49,-5.78,;5.82,-5,;5.82,-3.47,;4.49,-2.69,;4.49,-1.15,)|

CC(C)c1nccc(C)c1-n1c2nc(c(F)cc2c(nc1=O)N1C[C@@H](C)N(C[C@@H]1C)C(=O)C=C)-c1c(O)cccc1F |r,wU:28.32,wD:24.27,(-5.82,-7.11,;-5.05,-5.78,;-5.82,-4.44,;-3.51,-5.78,;-3.51,-7.31,;-2.18,-8.08,;-.85,-7.31,;-.85,-5.78,;.49,-5,;-2.18,-5,;-2.18,-3.47,;-.85,-2.69,;.49,-3.47,;1.82,-2.69,;1.82,-1.15,;3.16,-.38,;.49,-.38,;-.85,-1.15,;-2.18,-.38,;-3.51,-1.15,;-3.51,-2.69,;-4.85,-3.47,;-2.18,1.15,;-.85,1.93,;-.85,3.47,;.49,4.23,;-2.18,4.23,;-3.51,3.47,;-3.51,1.93,;-4.85,1.15,;-2.18,5.78,;-3.51,6.54,;-.85,6.54,;-.85,8.08,;3.16,-3.47,;3.16,-5,;1.82,-5.78,;4.49,-5.78,;5.82,-5,;5.82,-3.47,;4.49,-2.69,;4.49,-1.15,)|

CC(C)c1nccc(C)c1-n1c2nc(c(F)cc2c(nc1=O)N1C[C@@H](C)N(C[C@@H]1C)C(=O)C=C)-c1c(N)cccc1F |r,wU:28.32,wD:24.27,(-6.23,-7.11,;-5.46,-5.78,;-6.23,-4.44,;-3.92,-5.78,;-3.92,-7.32,;-2.58,-8.08,;-1.25,-7.32,;-1.25,-5.78,;.08,-5.01,;-2.58,-5.01,;-2.58,-3.47,;-1.25,-2.7,;.08,-3.47,;1.42,-2.7,;1.42,-1.16,;2.75,-.39,;.08,-.39,;-1.25,-1.16,;-2.58,-.39,;-3.92,-1.16,;-3.92,-2.7,;-5.25,-3.47,;-2.58,1.15,;-1.25,1.92,;-1.25,3.46,;.08,4.23,;-2.58,4.23,;-3.92,3.46,;-3.92,1.92,;-5.25,1.15,;-2.58,5.77,;-3.92,6.54,;-1.25,6.54,;-1.25,8.08,;3.56,-3.93,;3.56,-5.47,;2.23,-6.24,;4.89,-6.24,;6.23,-5.47,;6.23,-3.93,;4.89,-3.16,;4.89,-1.62,)|

CC(C)c1ncnc(C(C)C)c1-n1c2nc(c(Cl)cc2c(nc1=O)N1C[C@@H](C)N(C[C@@H]1C)C(=O)C=C)-c1ccccc1F |r,wU:30.34,wD:26.29,(2,-5.78,;.67,-5.01,;2.15,-4.61,;-.67,-5.78,;-.67,-7.32,;-2,-8.08,;-3.33,-7.32,;-3.33,-5.78,;-4.67,-5.01,;-6,-5.78,;-6,-4.24,;-2,-5.01,;-2,-3.47,;-.67,-2.7,;.67,-3.47,;2,-2.7,;2,-1.16,;3.33,-.39,;.67,-.39,;-.67,-1.16,;-2,-.39,;-3.33,-1.16,;-3.33,-2.7,;-4.67,-3.47,;-2,1.15,;-.67,1.92,;-.67,3.46,;.67,4.23,;-2,4.23,;-3.33,3.46,;-3.33,1.92,;-4.67,1.15,;-2,5.77,;-.67,6.54,;-3.33,6.54,;-3.33,8.08,;3.33,-3.47,;3.33,-5.01,;4.67,-5.78,;6,-5.01,;6,-3.47,;4.67,-2.7,;4.67,-1.16,)|

CC(C)c1ncnc(C(C)C)c1-n1c2nc(c(Cl)cc2c(nc1=O)N1C[C@@H](C)N(C[C@@H]1C)C(=O)C=C)-c1c(O)cccc1F |r,wU:30.34,wD:26.29,(1.8,-5.01,;.26,-5.01,;1.35,-3.92,;-1.07,-5.78,;-1.07,-7.32,;-2.4,-8.08,;-3.74,-7.32,;-3.74,-5.78,;-5.07,-5.01,;-6.41,-5.78,;-6.41,-4.24,;-2.4,-5.01,;-2.4,-3.47,;-1.07,-2.7,;.26,-3.47,;1.6,-2.7,;1.6,-1.16,;2.93,-.39,;.26,-.39,;-1.07,-1.16,;-2.4,-.39,;-3.74,-1.16,;-3.74,-2.7,;-5.07,-3.47,;-2.4,1.15,;-1.07,1.92,;-1.07,3.46,;.26,4.23,;-2.4,4.23,;-3.74,3.46,;-3.74,1.92,;-5.07,1.15,;-2.4,5.77,;-1.07,6.54,;-3.74,6.54,;-3.74,8.08,;3.74,-3.93,;3.74,-5.47,;2.4,-6.24,;5.07,-6.24,;6.41,-5.47,;6.41,-3.93,;5.07,-3.16,;5.07,-1.62,)|

CC(C)c1ncnc(C(C)C)c1-n1c2nc(c(Cl)cc2c(nc1=O)N1C[C@@H](C)N(C[C@@H]1C)C(=O)C=C)-c1c(N)cccc1F |r,wU:30.34,wD:26.29,(1.8,-5.01,;.26,-5.01,;1.35,-3.92,;-1.07,-5.78,;-1.07,-7.32,;-2.4,-8.08,;-3.74,-7.32,;-3.74,-5.78,;-5.07,-5.01,;-6.41,-5.78,;-6.41,-4.24,;-2.4,-5.01,;-2.4,-3.47,;-1.07,-2.7,;.26,-3.47,;1.6,-2.7,;1.6,-1.16,;2.93,-.39,;.26,-.39,;-1.07,-1.16,;-2.4,-.39,;-3.74,-1.16,;-3.74,-2.7,;-5.07,-3.47,;-2.4,1.15,;-1.07,1.92,;-1.07,3.46,;.26,4.23,;-2.4,4.23,;-3.74,3.46,;-3.74,1.92,;-5.07,1.15,;-2.4,5.77,;-1.07,6.54,;-3.74,6.54,;-3.74,8.08,;3.74,-3.93,;3.74,-5.47,;2.4,-6.24,;5.07,-6.24,;6.41,-5.47,;6.41,-3.93,;5.07,-3.16,;5.07,-1.62,)|

CC(C)c1ncnc(C(C)C)c1-n1c2nc(c(F)cc2c(nc1=O)N1C[C@@H](C)N(C[C@@H]1C)C(=O)C=C)-c1ccccc1F |r,wU:30.34,wD:26.29,(-3.41,-4.94,;-1.93,-5.33,;-2.69,-6.67,;-.38,-5.33,;.38,-6.67,;1.93,-6.67,;2.69,-5.33,;1.93,-4,;2.69,-2.67,;4.23,-2.67,;3.09,-1.18,;.38,-4,;-.38,-2.67,;.38,-1.33,;1.93,-1.33,;2.69,,;1.93,1.33,;2.69,2.67,;.38,1.33,;-.38,,;-1.93,,;-2.69,-1.33,;-1.93,-2.67,;-2.69,-4,;-2.69,1.33,;-1.93,2.67,;-2.69,4,;-1.93,5.33,;-4.23,4,;-5,2.67,;-4.23,1.33,;-5,,;-5,5.33,;-4.23,6.67,;-6.54,5.33,;-7.31,6.67,;4.23,,;5.01,-1.33,;6.55,-1.33,;7.31,,;6.55,1.33,;5.01,1.33,;4.24,2.67,)|

CC(C)c1ncnc(C(C)C)c1-n1c2nc(c(F)cc2c(nc1=O)N1C[C@@H](C)N(C[C@@H]1C)C(=O)C=C)-c1c(N)cccc1F |r,wU:30.34,wD:26.29,(1.8,-5.01,;.26,-5.01,;1.35,-3.92,;-1.07,-5.78,;-1.07,-7.32,;-2.4,-8.08,;-3.74,-7.32,;-3.74,-5.78,;-5.07,-5.01,;-6.41,-5.78,;-6.41,-4.24,;-2.4,-5.01,;-2.4,-3.47,;-1.07,-2.7,;.26,-3.47,;1.6,-2.7,;1.6,-1.16,;2.93,-.39,;.26,-.39,;-1.07,-1.16,;-2.4,-.39,;-3.74,-1.16,;-3.74,-2.7,;-5.07,-3.47,;-2.4,1.15,;-1.07,1.92,;-1.07,3.46,;.26,4.23,;-2.4,4.23,;-3.74,3.46,;-3.74,1.92,;-5.07,1.15,;-2.4,5.77,;-1.07,6.54,;-3.74,6.54,;-3.74,8.08,;3.74,-3.93,;3.74,-5.47,;2.4,-6.24,;5.07,-6.24,;6.41,-5.47,;6.41,-3.93,;5.07,-3.16,;5.07,-1.62,)|

CC(C)c1nccc(C)c1-n1c2nc(c(Cl)cc2c(nc1=O)N1C[C@H](C)N([C@H](C)C1)C(=O)C=C)-c1ccccc1F |r,wD:27.30,24.27,(-2.28,-4.43,;-.95,-5.2,;-.95,-6.74,;.39,-4.43,;1.16,-5.77,;2.7,-5.77,;3.47,-4.43,;2.7,-3.1,;3.47,-1.77,;1.16,-3.1,;.39,-1.77,;1.16,-.43,;2.7,-.43,;3.47,.9,;2.7,2.23,;3.47,3.57,;1.16,2.23,;.39,.9,;-1.15,.9,;-1.92,-.43,;-1.15,-1.77,;-1.92,-3.1,;-2.24,1.99,;-3.73,1.59,;-4.82,2.68,;-6.31,2.28,;-4.42,4.17,;-2.93,4.57,;-2.53,6.05,;-1.84,3.48,;-5.51,5.26,;-5.11,6.74,;-7,4.86,;-8.09,5.95,;5.01,.9,;5.78,-.43,;7.32,-.43,;8.09,.9,;7.32,2.23,;5.78,2.23,;5.01,3.57,)|

CC(C)c1nccc(C)c1-n1c2nc(c(Cl)cc2c(nc1=O)N1C[C@H](C)N([C@H](C)C1)C(=O)C=C)-c1c(O)cccc1F |r,wD:27.30,24.27,(-6.23,-7.11,;-5.46,-5.78,;-6.23,-4.44,;-3.92,-5.78,;-3.92,-7.32,;-2.58,-8.08,;-1.25,-7.32,;-1.25,-5.78,;.08,-5.01,;-2.58,-5.01,;-2.58,-3.47,;-1.25,-2.7,;.08,-3.47,;1.42,-2.7,;1.42,-1.16,;2.75,-.39,;.08,-.39,;-1.25,-1.16,;-2.58,-.39,;-3.92,-1.16,;-3.92,-2.7,;-5.25,-3.47,;-2.58,1.15,;-3.92,1.92,;-3.92,3.46,;-5.25,4.23,;-2.58,4.23,;-1.25,3.46,;.08,4.23,;-1.25,1.92,;-2.58,5.77,;-3.92,6.54,;-1.25,6.54,;-1.25,8.08,;3.56,-3.93,;3.56,-5.47,;2.23,-6.24,;4.89,-6.24,;6.23,-5.47,;6.23,-3.93,;4.89,-3.16,;4.89,-1.62,)|

CC(C)c1nccc(C)c1-n1c2nc(c(Cl)cc2c(nc1=O)N1C[C@H](C)N([C@H](C)C1)C(=O)C=C)-c1c(N)cccc1F |r,wD:27.30,24.27,(-6.23,-7.11,;-5.46,-5.78,;-6.23,-4.44,;-3.92,-5.78,;-3.92,-7.32,;-2.58,-8.08,;-1.25,-7.32,;-1.25,-5.78,;.08,-5.01,;-2.58,-5.01,;-2.58,-3.47,;-1.25,-2.7,;.08,-3.47,;1.42,-2.7,;1.42,-1.16,;2.75,-.39,;.08,-.39,;-1.25,-1.16,;-2.58,-.39,;-3.92,-1.16,;-3.92,-2.7,;-5.25,-3.47,;-2.58,1.15,;-3.92,1.92,;-3.92,3.46,;-5.25,4.23,;-2.58,4.23,;-1.25,3.46,;.08,4.23,;-1.25,1.92,;-2.58,5.77,;-3.92,6.54,;-1.25,6.54,;-1.25,8.08,;3.56,-3.93,;3.56,-5.47,;2.23,-6.24,;4.89,-6.24,;6.23,-5.47,;6.23,-3.93,;4.89,-3.16,;4.89,-1.62,)|

CC(C)c1nccc(C)c1-n1c2nc(c(F)cc2c(nc1=O)N1C[C@H](C)N([C@H](C)C1)C(=O)C=C)-c1ccccc1F |r,wD:27.30,24.27,(-6.23,-7.11,;-5.46,-5.78,;-6.23,-4.44,;-3.92,-5.78,;-3.92,-7.32,;-2.58,-8.08,;-1.25,-7.32,;-1.25,-5.78,;.08,-5.01,;-2.58,-5.01,;-2.58,-3.47,;-1.25,-2.7,;.08,-3.47,;1.42,-2.7,;1.42,-1.16,;2.75,-.39,;.08,-.39,;-1.25,-1.16,;-2.58,-.39,;-3.92,-1.16,;-3.92,-2.7,;-5.25,-3.47,;-2.58,1.15,;-3.92,1.92,;-3.92,3.46,;-5.25,4.23,;-2.58,4.23,;-1.25,3.46,;.08,4.23,;-1.25,1.92,;-2.58,5.77,;-3.92,6.54,;-1.25,6.54,;-1.25,8.08,;3.56,-3.93,;3.56,-5.47,;4.89,-6.24,;6.23,-5.47,;6.23,-3.93,;4.89,-3.16,;4.89,-1.62,)|

CC(C)c1nccc(C)c1-n1c2nc(c(F)cc2c(nc1=O)N1C[C@H](C)N([C@H](C)C1)C(=O)C=C)-c1c(O)cccc1F |r,wD:27.30,24.27,(-6.23,-7.11,;-5.46,-5.78,;-6.23,-4.44,;-3.92,-5.78,;-3.92,-7.32,;-2.58,-8.08,;-1.25,-7.32,;-1.25,-5.78,;.08,-5.01,;-2.58,-5.01,;-2.58,-3.47,;-1.25,-2.7,;.08,-3.47,;1.42,-2.7,;1.42,-1.16,;2.75,-.39,;.08,-.39,;-1.25,-1.16,;-2.58,-.39,;-3.92,-1.16,;-3.92,-2.7,;-5.25,-3.47,;-2.58,1.15,;-3.92,1.92,;-3.92,3.46,;-5.25,4.23,;-2.58,4.23,;-1.25,3.46,;.08,4.23,;-1.25,1.92,;-2.58,5.77,;-3.92,6.54,;-1.25,6.54,;-1.25,8.08,;3.56,-3.93,;3.56,-5.47,;2.23,-6.24,;4.89,-6.24,;6.23,-5.47,;6.23,-3.93,;4.89,-3.16,;4.89,-1.62,)|

CC(C)c1nccc(C)c1-n1c2nc(c(F)cc2c(nc1=O)N1C[C@H](C)N([C@H](C)C1)C(=O)C=C)-c1c(N)cccc1F |r,wD:27.30,24.27,(-6.23,-7.11,;-5.46,-5.78,;-6.23,-4.44,;-3.92,-5.78,;-3.92,-7.32,;-2.58,-8.08,;-1.25,-7.32,;-1.25,-5.78,;.08,-5.01,;-2.58,-5.01,;-2.58,-3.47,;-1.25,-2.7,;.08,-3.47,;1.42,-2.7,;1.42,-1.16,;2.75,-.39,;.08,-.39,;-1.25,-1.16,;-2.58,-.39,;-3.92,-1.16,;-3.92,-2.7,;-5.25,-3.47,;-2.58,1.15,;-3.92,1.92,;-3.92,3.46,;-5.25,4.23,;-2.58,4.23,;-1.25,3.46,;.08,4.23,;-1.25,1.92,;-2.58,5.77,;-3.92,6.54,;-1.25,6.54,;-1.25,8.08,;3.56,-3.93,;3.56,-5.47,;2.23,-6.24,;4.89,-6.24,;6.23,-5.47,;6.23,-3.93,;4.89,-3.16,;4.89,-1.62,)|

CC(C)c1ncnc(C(C)C)c1-n1c2nc(c(Cl)cc2c(nc1=O)N1C[C@H](C)N([C@H](C)C1)C(=O)C=C)-c1ccccc1F |r,wD:29.32,26.29,(2,-5.78,;.67,-5.01,;2.15,-4.61,;-.67,-5.78,;-.67,-7.32,;-2,-8.08,;-3.33,-7.32,;-3.33,-5.78,;-4.67,-5.01,;-6,-5.78,;-6,-4.24,;-2,-5.01,;-2,-3.47,;-.67,-2.7,;.67,-3.47,;2,-2.7,;2,-1.16,;3.33,-.39,;.67,-.39,;-.67,-1.16,;-2,-.39,;-3.33,-1.16,;-3.33,-2.7,;-4.67,-3.47,;-2,1.15,;-3.33,1.92,;-3.33,3.46,;-4.67,4.23,;-2,4.23,;-.67,3.46,;.67,4.23,;-.67,1.92,;-2,5.77,;-.67,6.54,;-3.33,6.54,;-3.33,8.08,;3.33,-3.47,;3.33,-5.01,;4.67,-5.78,;6,-5.01,;6,-3.47,;4.67,-2.7,;4.67,-1.16,)|

CC(C)c1ncnc(C(C)C)c1-n1c2nc(c(Cl)cc2c(nc1=O)N1C[C@H](C)N([C@H](C)C1)C(=O)C=C)-c1c(O)cccc1F |r,wD:29.32,26.29,(2.21,-5.01,;.67,-5.01,;1.76,-3.92,;-.67,-5.78,;-.67,-7.32,;-2,-8.08,;-3.33,-7.32,;-3.33,-5.78,;-4.67,-5.01,;-6,-5.78,;-6,-4.24,;-2,-5.01,;-2,-3.47,;-.67,-2.7,;.67,-3.47,;2,-2.7,;2,-1.16,;3.33,-.39,;.67,-.39,;-.67,-1.16,;-2,-.39,;-3.33,-1.16,;-3.33,-2.7,;-4.67,-3.47,;-2,1.15,;-3.33,1.92,;-3.33,3.46,;-4.67,4.23,;-2,4.23,;-.67,3.46,;.67,4.23,;-.67,1.92,;-2,5.77,;-.67,6.54,;-3.33,6.54,;-3.33,8.08,;3.33,-3.47,;3.33,-5.01,;2,-5.78,;4.67,-5.78,;6,-5.01,;6,-3.47,;4.67,-2.7,;4.67,-1.16,)|

CC(C)c1ncnc(C(C)C)c1-n1c2nc(c(Cl)cc2c(nc1=O)N1C[C@H](C)N([C@H](C)C1)C(=O)C=C)-c1c(N)cccc1F |r,wD:29.32,26.29,(2.21,-5.01,;.67,-5.01,;1.76,-3.92,;-.67,-5.78,;-.67,-7.32,;-2,-8.08,;-3.33,-7.32,;-3.33,-5.78,;-4.67,-5.01,;-6,-5.78,;-6,-4.24,;-2,-5.01,;-2,-3.47,;-.67,-2.7,;.67,-3.47,;2,-2.7,;2,-1.16,;3.33,-.39,;.67,-.39,;-.67,-1.16,;-2,-.39,;-3.33,-1.16,;-3.33,-2.7,;-4.67,-3.47,;-2,1.15,;-3.33,1.92,;-3.33,3.46,;-4.67,4.23,;-2,4.23,;-.67,3.46,;.67,4.23,;-.67,1.92,;-2,5.77,;-.67,6.54,;-3.33,6.54,;-3.33,8.08,;3.33,-3.47,;3.33,-5.01,;2,-5.78,;4.67,-5.78,;6,-5.01,;6,-3.47,;4.67,-2.7,;4.67,-1.16,)|

CC(C)c1ncnc(C(C)C)c1-n1c2nc(c(F)cc2c(nc1=O)N1C[C@H](C)N([C@H](C)C1)C(=O)C=C)-c1ccccc1F |r,wD:29.32,26.29,(2,-5.78,;.67,-5.01,;2.15,-4.61,;-.67,-5.78,;-.67,-7.32,;-2,-8.08,;-3.33,-7.32,;-3.33,-5.78,;-4.67,-5.01,;-6,-5.78,;-6,-4.24,;-2,-5.01,;-2,-3.47,;-.67,-2.7,;.67,-3.47,;2,-2.7,;2,-1.16,;3.33,-.39,;.67,-.39,;-.67,-1.16,;-2,-.39,;-3.33,-1.16,;-3.33,-2.7,;-4.67,-3.47,;-2,1.15,;-3.33,1.92,;-3.33,3.46,;-4.67,4.23,;-2,4.23,;-.67,3.46,;.67,4.23,;-.67,1.92,;-2,5.77,;-.67,6.54,;-3.33,6.54,;-3.33,8.08,;3.33,-3.47,;3.33,-5.01,;4.67,-5.78,;6,-5.01,;6,-3.47,;4.67,-2.7,;4.67,-1.16,)|

CC(C)c1ncnc(C(C)C)c1-n1c2nc(c(F)cc2c(nc1=O)N1C[C@H](C)N([C@H](C)C1)C(=O)C=C)-c1c(O)cccc1F |r,wD:29.32,26.29,(2.21,-5.01,;.67,-5.01,;1.76,-3.92,;-.67,-5.78,;-.67,-7.32,;-2,-8.08,;-3.33,-7.32,;-3.33,-5.78,;-4.67,-5.01,;-6,-5.78,;-6,-4.24,;-2,-5.01,;-2,-3.47,;-.67,-2.7,;.67,-3.47,;2,-2.7,;2,-1.16,;3.33,-.39,;.67,-.39,;-.67,-1.16,;-2,-.39,;-3.33,-1.16,;-3.33,-2.7,;-4.67,-3.47,;-2,1.15,;-3.33,1.92,;-3.33,3.46,;-4.67,4.23,;-2,4.23,;-.67,3.46,;.67,4.23,;-.67,1.92,;-2,5.77,;-.67,6.54,;-3.33,6.54,;-3.33,8.08,;3.33,-3.47,;3.33,-5.01,;2,-5.78,;4.67,-5.78,;6,-5.01,;6,-3.47,;4.67,-2.7,;4.67,-1.16,)|

CC(C)c1ncnc(C(C)C)c1-n1c2nc(c(F)cc2c(nc1=O)N1C[C@H](C)N([C@H](C)C1)C(=O)C=C)-c1c(N)cccc1F |r,wD:29.32,26.29,(2.21,-5.01,;.67,-5.01,;1.76,-3.92,;-.67,-5.78,;-.67,-7.32,;-2,-8.08,;-3.33,-7.32,;-3.33,-5.78,;-4.67,-5.01,;-6,-5.78,;-6,-4.24,;-2,-5.01,;-2,-3.47,;-.67,-2.7,;.67,-3.47,;2,-2.7,;2,-1.16,;3.33,-.39,;.67,-.39,;-.67,-1.16,;-2,-.39,;-3.33,-1.16,;-3.33,-2.7,;-4.67,-3.47,;-2,1.15,;-3.33,1.92,;-3.33,3.46,;-4.67,4.23,;-2,4.23,;-.67,3.46,;.67,4.23,;-.67,1.92,;-2,5.77,;-.67,6.54,;-3.33,6.54,;-3.33,8.08,;3.33,-3.47,;3.33,-5.01,;2,-5.78,;4.67,-5.78,;6,-5.01,;6,-3.47,;4.67,-2.7,;4.67,-1.16,)|

CC(C)c1nccc(C)c1-n1c2nc(c(Cl)cc2c(nc1=O)N1CCN(C[C@@H]1C)C(=O)CCl)-c1ccccc1F |r,wU:27.31,(-10.31,.84,;-9.54,2.18,;-10.31,3.51,;-8,2.18,;-8,.64,;-6.67,-.13,;-5.33,.64,;-5.33,2.18,;-4,2.95,;-6.67,2.95,;-6.67,4.49,;-5.33,5.26,;-4,4.49,;-2.67,5.26,;-2.67,6.8,;-1.33,7.57,;-4,7.57,;-5.33,6.8,;-6.67,7.57,;-8,6.8,;-8,5.26,;-9.33,4.49,;-6.67,9.11,;-5.33,9.88,;-5.33,11.42,;-6.67,12.24,;-8,11.42,;-8,9.88,;-9.33,9.11,;-6.67,13.78,;-8,14.55,;-5.33,14.55,;-5.33,16.09,;-1.33,4.49,;-1.33,2.95,;0,2.18,;1.34,2.95,;1.34,4.49,;0,5.26,;0,6.8,)|

CC(C)c1nccc(C)c1-n1c2nc(c(Cl)cc2c(nc1=O)N1CCN(C[C@@H]1C)C(=O)C(C)=O)-c1ccccc1F |r,wU:27.31,(-10.31,.84,;-9.54,2.18,;-10.31,3.51,;-8,2.18,;-8,.64,;-6.67,-.13,;-5.33,.64,;-5.33,2.18,;-4,2.95,;-6.67,2.95,;-6.67,4.49,;-5.33,5.26,;-4,4.49,;-2.67,5.26,;-2.67,6.8,;-1.33,7.57,;-4,7.57,;-5.33,6.8,;-6.67,7.57,;-8,6.8,;-8,5.26,;-9.33,4.49,;-6.67,9.11,;-5.33,9.88,;-5.33,11.42,;-6.67,12.24,;-8,11.42,;-8,9.88,;-9.33,9.11,;-6.67,13.78,;-8,14.55,;-5.33,14.55,;-5.33,16.09,;-4,13.78,;-1.33,4.49,;-1.33,2.95,;0,2.18,;1.34,2.95,;1.34,4.49,;0,5.26,;0,6.8,)|

CC(C)c1nccc(C)c1-n1c2nc(c(Cl)cc2c(nc1=O)N1CCN(C[C@@H]1C)C(=O)C=O)-c1ccccc1F |r,wU:27.31,(5.87,-15.07,;6.26,-16.56,;5.17,-17.64,;7.76,-16.96,;7.75,-18.5,;9.08,-19.28,;10.42,-18.5,;10.42,-16.97,;11.76,-16.2,;9.09,-16.2,;9.1,-14.66,;10.43,-13.89,;11.77,-14.67,;13.1,-13.89,;13.1,-12.34,;14.43,-11.57,;11.76,-11.58,;10.44,-12.35,;9.11,-11.58,;7.77,-12.34,;7.76,-13.88,;6.43,-14.64,;9.13,-10.03,;10.47,-9.28,;10.48,-7.74,;9.16,-6.96,;7.82,-7.72,;7.8,-9.26,;6.46,-10.02,;9.17,-5.42,;10.52,-4.66,;7.85,-4.63,;7.86,-3.09,;14.43,-14.66,;14.43,-16.2,;15.77,-16.97,;17.1,-16.2,;17.09,-14.65,;15.76,-13.89,;15.75,-12.35,)|

COC(=O)\C=C\C(=O)N1CCN([C@@H](C)C1)c1nc(=O)n(-c2c(C)ccnc2C(C)C)c2nc(c(Cl)cc12)-c1ccccc1F |r,wU:12.12,(17.95,-4.58,;19.28,-5.36,;20.62,-4.61,;20.64,-3.07,;21.95,-5.39,;23.29,-4.63,;24.61,-5.42,;25.96,-4.66,;24.6,-6.96,;25.92,-7.74,;25.91,-9.28,;24.57,-10.03,;23.24,-9.26,;21.9,-10.02,;23.26,-7.72,;24.55,-11.58,;23.21,-12.34,;23.2,-13.88,;21.86,-14.64,;24.54,-14.67,;24.53,-16.2,;25.86,-16.97,;27.19,-16.2,;25.86,-18.51,;24.52,-19.28,;23.19,-18.5,;23.19,-16.96,;21.7,-16.56,;21.31,-15.07,;20.61,-17.64,;25.87,-13.9,;27.21,-14.67,;28.54,-13.89,;28.54,-12.34,;29.87,-11.57,;27.2,-11.58,;25.88,-12.35,;29.87,-14.66,;29.87,-16.2,;31.2,-16.97,;32.54,-16.2,;32.53,-14.65,;31.2,-13.89,;31.19,-12.35,)|

CC(C)c1nccc(C)c1-n1c2nc(c(Cl)cc2c(nc1=O)N1CCN(C[C@@H]1C)C(=O)COc1ccccc1)-c1ccccc1F |r,wU:27.31,(-1.34,-17.09,;-.57,-15.76,;-1.34,-14.42,;.97,-15.76,;.97,-17.3,;2.31,-18.07,;3.64,-17.3,;3.64,-15.76,;4.98,-14.99,;2.31,-14.99,;2.31,-13.45,;3.64,-12.68,;4.98,-13.45,;6.31,-12.68,;6.31,-11.14,;7.64,-10.37,;4.98,-10.37,;3.64,-11.14,;2.31,-10.37,;.97,-11.14,;.97,-12.68,;-.36,-13.45,;2.31,-8.83,;3.64,-8.06,;3.64,-6.52,;2.31,-5.75,;.97,-6.52,;.97,-8.06,;-.36,-8.83,;2.31,-4.21,;3.64,-3.44,;.97,-3.44,;-.36,-4.21,;-1.69,-3.44,;-1.69,-1.9,;-3.03,-1.13,;-4.36,-1.9,;-4.36,-3.44,;-3.03,-4.21,;7.64,-13.45,;7.64,-14.99,;8.98,-15.76,;10.31,-14.99,;10.31,-13.45,;8.98,-12.68,;8.98,-11.14,)|

CC(C)c1nccc(C)c1-n1c2nc(c(Cl)cc2c(nc1=O)N1CCN(C[C@@H]1C)C(=O)COc1c(Cl)cccc1Cl)-c1ccccc1F |r,wU:27.31,(-1.34,-16,;-.57,-14.67,;-1.34,-13.33,;.97,-14.67,;.97,-16.21,;2.31,-16.98,;3.64,-16.21,;3.64,-14.67,;4.98,-13.9,;2.31,-13.9,;2.31,-12.36,;3.64,-11.59,;4.98,-12.36,;6.31,-11.59,;6.31,-10.05,;7.64,-9.28,;4.98,-9.28,;3.64,-10.05,;2.31,-9.28,;.97,-10.05,;.97,-11.59,;-.36,-12.36,;2.31,-7.74,;3.64,-6.97,;3.64,-5.43,;2.31,-4.66,;.97,-5.43,;.97,-6.97,;-.36,-7.74,;2.31,-3.12,;3.64,-2.35,;.97,-2.35,;-.36,-3.12,;-1.69,-2.35,;-1.69,-.81,;-.36,-.04,;-3.03,-.04,;-4.36,-.81,;-4.36,-2.35,;-3.03,-3.12,;-3.03,-4.66,;7.64,-12.36,;7.64,-13.9,;8.98,-14.67,;10.31,-13.9,;10.31,-12.36,;8.98,-11.59,;8.98,-10.05,)|

CC(C)c1nccc(C)c1-n1c2nc(c(Cl)cc2c(nc1=O)N1CCN(C[C@@H]1C)C(=O)COc1c(F)cccc1F)-c1ccccc1F |r,wU:27.31,(-1.34,-16,;-.57,-14.67,;-1.34,-13.33,;.97,-14.67,;.97,-16.21,;2.31,-16.98,;3.64,-16.21,;3.64,-14.67,;4.98,-13.9,;2.31,-13.9,;2.31,-12.36,;3.64,-11.59,;4.98,-12.36,;6.31,-11.59,;6.31,-10.05,;7.64,-9.28,;4.98,-9.28,;3.64,-10.05,;2.31,-9.28,;.97,-10.05,;.97,-11.59,;-.36,-12.36,;2.31,-7.74,;3.64,-6.97,;3.64,-5.43,;2.31,-4.66,;.97,-5.43,;.97,-6.97,;-.36,-7.74,;2.31,-3.12,;3.64,-2.35,;.97,-2.35,;-.36,-3.12,;-1.69,-2.35,;-1.69,-.81,;-.36,-.04,;-3.03,-.04,;-4.36,-.81,;-4.36,-2.35,;-3.03,-3.12,;-3.03,-4.66,;7.64,-12.36,;7.64,-13.9,;8.98,-14.67,;10.31,-13.9,;10.31,-12.36,;8.98,-11.59,;8.98,-10.05,)|

CC(C)c1nccc(C)c1-n1c2nc(c(Cl)cc2c(nc1=O)N1CCN(C[C@@H]1C)C(=O)COc1c(F)c(F)cc(F)c1F)-c1ccccc1F |r,wU:27.31,(-1.34,-17.1,;-.57,-15.77,;-1.34,-14.43,;.97,-15.77,;.97,-17.31,;2.31,-18.08,;3.64,-17.31,;3.64,-15.77,;4.98,-15,;2.31,-15,;2.31,-13.46,;3.64,-12.69,;4.98,-13.46,;6.31,-12.69,;6.31,-11.15,;7.64,-10.38,;4.98,-10.38,;3.64,-11.15,;2.31,-10.38,;.97,-11.15,;.97,-12.69,;-.36,-13.46,;2.31,-8.84,;3.64,-8.07,;3.64,-6.53,;2.31,-5.76,;.97,-6.53,;.97,-8.07,;-.36,-8.84,;2.31,-4.22,;3.64,-3.45,;.97,-3.45,;-.36,-4.22,;-1.69,-3.45,;-1.69,-1.91,;-.36,-1.14,;-3.03,-1.14,;-3.03,.4,;-4.36,-1.91,;-4.36,-3.45,;-5.69,-4.22,;-3.03,-4.22,;-3.03,-5.76,;7.64,-13.46,;7.64,-15,;8.98,-15.77,;10.31,-15,;10.31,-13.46,;8.98,-12.69,;8.98,-11.15,)|

CC(C)c1nccc(C)c1-n1c2nc(c(Cl)cc2c(nc1=O)N1CCN(C[C@@H]1C)C(=O)COc1cc(F)cc(F)c1F)-c1ccccc1F |r,wU:27.31,(-1.34,-17.1,;-.57,-15.77,;-1.34,-14.43,;.97,-15.77,;.97,-17.31,;2.31,-18.08,;3.64,-17.31,;3.64,-15.77,;4.98,-15,;2.31,-15,;2.31,-13.46,;3.64,-12.69,;4.98,-13.46,;6.31,-12.69,;6.31,-11.15,;7.64,-10.38,;4.98,-10.38,;3.64,-11.15,;2.31,-10.38,;.97,-11.15,;.97,-12.69,;-.36,-13.46,;2.31,-8.84,;3.64,-8.07,;3.64,-6.53,;2.31,-5.76,;.97,-6.53,;.97,-8.07,;-.36,-8.84,;2.31,-4.22,;3.64,-3.45,;.97,-3.45,;-.36,-4.22,;-1.69,-3.45,;-3.03,-4.22,;-4.36,-3.45,;-5.69,-4.22,;-4.36,-1.91,;-3.03,-1.14,;-3.03,.4,;-1.69,-1.91,;-.36,-1.14,;7.64,-13.46,;7.64,-15,;8.98,-15.77,;10.31,-15,;10.31,-13.46,;8.98,-12.69,;8.98,-11.15,)|

CC(C)c1nccc(C)c1-n1c2nc(c(Cl)cc2c(nc1=O)N1CCN(C[C@@H]1C)C(=O)COc1c(F)cc(F)cc1F)-c1ccccc1F |r,wU:27.31,(-1.34,-15.34,;-.57,-14.01,;-1.34,-12.68,;.97,-14.01,;.97,-15.55,;2.31,-16.32,;3.64,-15.55,;3.64,-14.01,;4.98,-13.24,;2.31,-13.24,;2.31,-11.7,;3.64,-10.93,;4.98,-11.7,;6.31,-10.93,;6.31,-9.39,;7.64,-8.62,;4.98,-8.62,;3.64,-9.39,;2.31,-8.62,;.97,-9.39,;.97,-10.93,;-.36,-11.7,;2.31,-7.08,;3.64,-6.31,;3.64,-4.77,;2.31,-4,;.97,-4.77,;.97,-6.31,;-.36,-7.08,;2.31,-2.46,;3.64,-1.69,;.97,-1.69,;-.36,-2.46,;-1.69,-1.69,;-1.69,-.15,;-.36,.62,;-3.03,.62,;-4.36,-.15,;-5.69,.62,;-4.36,-1.69,;-3.03,-2.46,;-3.03,-4,;7.64,-11.7,;7.64,-13.24,;8.98,-14.01,;10.31,-13.24,;10.31,-11.7,;8.98,-10.93,;8.98,-9.39,)|

CC(C)c1nccc(C)c1-n1c2nc(c(Cl)cc2c(nc1=O)N1CCN(C[C@@H]1C)C(=O)COc1cccc(F)c1F)-c1ccccc1F |r,wU:27.31,(-1.34,-15.22,;-.57,-13.88,;-1.34,-12.55,;.97,-13.88,;.97,-15.42,;2.31,-16.19,;3.64,-15.42,;3.64,-13.88,;4.98,-13.11,;2.31,-13.11,;2.31,-11.57,;3.64,-10.8,;4.98,-11.57,;6.31,-10.8,;6.31,-9.26,;7.64,-8.49,;4.98,-8.49,;3.64,-9.26,;2.31,-8.49,;.97,-9.26,;.97,-10.8,;-.36,-11.57,;2.31,-6.95,;3.64,-6.18,;3.64,-4.64,;2.31,-3.87,;.97,-4.64,;.97,-6.18,;-.36,-6.95,;2.31,-2.33,;3.64,-1.56,;.97,-1.56,;-.36,-2.33,;-1.69,-1.56,;-1.69,-.02,;-3.03,.75,;-4.36,-.02,;-4.36,-1.56,;-5.69,-2.33,;-3.03,-2.33,;-3.03,-3.87,;7.64,-11.57,;7.64,-13.11,;8.98,-13.88,;10.31,-13.11,;10.31,-11.57,;8.98,-10.8,;8.98,-9.26,)|

CC(C)c1nccc(C)c1-n1c2nc(c(Cl)cc2c(nc1=O)N1CCN(C[C@@H]1C)C(=O)C=[N+]=[N-])-c1ccccc1F |r,wU:27.31,(-10.31,6.5,;-9.54,7.84,;-10.31,9.17,;-8,7.84,;-8,6.3,;-6.67,5.53,;-5.33,6.3,;-5.33,7.84,;-4,8.61,;-6.67,8.61,;-6.67,10.15,;-5.33,10.92,;-4,10.15,;-2.67,10.92,;-2.67,12.46,;-1.33,13.23,;-4,13.23,;-5.33,12.46,;-6.67,13.23,;-8,12.46,;-8,10.92,;-9.33,10.15,;-6.67,14.77,;-5.33,15.54,;-5.33,17.08,;-6.67,17.9,;-8,17.08,;-8,15.54,;-9.33,14.77,;-6.67,19.44,;-8,20.21,;-5.33,20.21,;-4.09,19.31,;-2.84,18.4,;-1.33,10.15,;-1.33,8.61,;0,7.84,;1.34,8.61,;1.34,10.15,;0,10.92,;0,12.46,)|

CC(C)c1nccc(C)c1-n1c2nc(c(Cl)cc2c(nc1=O)N1CCN(C[C@@H]1C)C(=O)[C@H]1CN1)-c1ccccc1F |r,wU:27.31,31.34,(-10.31,6.5,;-9.54,7.84,;-10.31,9.17,;-8,7.84,;-8,6.3,;-6.67,5.53,;-5.33,6.3,;-5.33,7.84,;-4,8.61,;-6.67,8.61,;-6.67,10.15,;-5.33,10.92,;-4,10.15,;-2.67,10.92,;-2.67,12.46,;-1.33,13.23,;-4,13.23,;-5.33,12.46,;-6.67,13.23,;-8,12.46,;-8,10.92,;-9.33,10.15,;-6.67,14.77,;-5.33,15.54,;-5.33,17.08,;-6.67,17.9,;-8,17.08,;-8,15.54,;-9.33,14.77,;-6.67,19.44,;-8,20.21,;-5.33,20.21,;-4.56,21.55,;-3.79,20.21,;-1.33,10.15,;-1.33,8.61,;0,7.84,;1.34,8.61,;1.34,10.15,;0,10.92,;0,12.46,)|

CC(C)c1nccc(C)c1-n1c2nc(c(Cl)cc2c(nc1=O)N1CCN(C[C@@H]1C)C(=O)[C@@H]1CO1)-c1ccccc1F |r,wU:27.31,wD:31.34,(-10.31,6.5,;-9.54,7.84,;-10.31,9.17,;-8,7.84,;-8,6.3,;-6.67,5.53,;-5.33,6.3,;-5.33,7.84,;-4,8.61,;-6.67,8.61,;-6.67,10.15,;-5.33,10.92,;-4,10.15,;-2.67,10.92,;-2.67,12.46,;-1.33,13.23,;-4,13.23,;-5.33,12.46,;-6.67,13.23,;-8,12.46,;-8,10.92,;-9.33,10.15,;-6.67,14.77,;-5.33,15.54,;-5.33,17.08,;-6.67,17.9,;-8,17.08,;-8,15.54,;-9.33,14.77,;-6.67,19.44,;-8,20.21,;-5.33,20.21,;-4.56,21.55,;-3.79,20.21,;-1.33,10.15,;-1.33,8.61,;0,7.84,;1.34,8.61,;1.34,10.15,;0,10.92,;0,12.46,)|

CC(C)c1nccc(C)c1-n1c2nc(c(Cl)cc2c(nc1=O)N1CCN(C[C@@H]1C)C(=O)[C@H]1CO1)-c1ccccc1F |r,wU:27.31,wD:31.34,(35.42,-15.01,;35.81,-16.5,;34.72,-17.58,;37.3,-16.9,;37.3,-18.44,;38.63,-19.22,;39.97,-18.44,;39.97,-16.91,;41.31,-16.14,;38.64,-16.14,;38.65,-14.6,;39.98,-13.83,;41.32,-14.6,;42.65,-13.83,;42.65,-12.28,;43.98,-11.51,;41.31,-11.52,;39.99,-12.29,;38.66,-11.51,;37.32,-12.28,;37.31,-13.82,;35.97,-14.58,;38.68,-9.97,;40.02,-9.21,;40.03,-7.68,;38.71,-6.89,;37.37,-7.65,;37.35,-9.2,;36.01,-9.96,;38.72,-5.35,;40.07,-4.6,;37.4,-4.57,;36.65,-3.23,;35.86,-4.56,;43.98,-14.6,;43.98,-16.14,;45.32,-16.91,;46.65,-16.14,;46.64,-14.59,;45.31,-13.83,;45.3,-12.29,)|

CC(C)c1nccc(C)c1-n1c2nc(c(Cl)cc2c(nc1=O)N1CCN(C[C@@H]1C)C(=O)[C@H]1O[C@@H]1C)-c1ccccc1F |r,wU:27.31,33.38,wD:31.34,(-10.31,6.5,;-9.54,7.84,;-10.31,9.17,;-8,7.84,;-8,6.3,;-6.67,5.53,;-5.33,6.3,;-5.33,7.84,;-4,8.61,;-6.67,8.61,;-6.67,10.15,;-5.33,10.92,;-4,10.15,;-2.67,10.92,;-2.67,12.46,;-1.33,13.23,;-4,13.23,;-5.33,12.46,;-6.67,13.23,;-8,12.46,;-8,10.92,;-9.33,10.15,;-6.67,14.77,;-5.33,15.54,;-5.33,17.08,;-6.67,17.9,;-8,17.08,;-8,15.54,;-9.33,14.77,;-6.67,19.44,;-8,20.21,;-5.33,20.21,;-3.79,20.21,;-4.56,21.55,;-4.56,23.09,;-1.33,10.15,;-1.33,8.61,;0,7.84,;1.34,8.61,;1.34,10.15,;0,10.92,;0,12.46,)|

CCOC(=O)[C@H]1O[C@@H]1C(=O)N1CCN([C@@H](C)C1)c1nc(=O)n(-c2c(C)ccnc2C(C)C)c2nc(c(Cl)cc12)-c1ccccc1F |r,wU:14.15,7.8,wD:5.4,(-4.98,-1.79,;-3.44,-1.79,;-2.67,-.45,;-1.13,-.45,;-.36,.88,;-.36,-1.79,;-.36,-3.33,;.97,-2.56,;2.31,-3.33,;3.64,-2.56,;2.31,-4.87,;3.64,-5.64,;3.64,-7.18,;2.31,-7.95,;.97,-7.18,;-.36,-7.95,;.97,-5.64,;2.31,-9.49,;.97,-10.26,;.97,-11.8,;-.36,-12.57,;2.31,-12.57,;2.31,-14.11,;3.64,-14.88,;4.98,-14.11,;3.64,-16.42,;2.31,-17.19,;.97,-16.42,;.97,-14.88,;-.57,-14.88,;-1.34,-16.21,;-1.34,-13.54,;3.64,-11.8,;4.98,-12.57,;6.31,-11.8,;6.31,-10.26,;7.64,-9.49,;4.98,-9.49,;3.64,-10.26,;7.64,-12.57,;7.64,-14.11,;8.98,-14.88,;10.31,-14.11,;10.31,-12.57,;8.98,-11.8,;8.98,-10.26,)|

CCOC(=O)[C@@H]1O[C@H]1C(=O)N1CCN([C@@H](C)C1)c1nc(=O)n(-c2c(C)ccnc2C(C)C)c2nc(c(Cl)cc12)-c1ccccc1F |r,wU:14.15,5.4,wD:7.8,(17.67,-21.83,;19,-22.61,;20.34,-21.86,;21.67,-22.64,;23.01,-21.89,;21.65,-24.18,;20.86,-25.51,;22.4,-25.52,;23.73,-26.31,;25.07,-25.55,;23.71,-27.85,;25.04,-28.63,;25.02,-30.17,;23.68,-30.93,;22.35,-30.15,;21.01,-30.91,;22.37,-28.61,;23.67,-32.47,;22.32,-33.23,;22.32,-34.77,;20.98,-35.53,;23.65,-35.56,;23.65,-37.09,;24.97,-37.86,;26.31,-37.09,;24.97,-39.4,;23.63,-40.17,;22.3,-39.39,;22.31,-37.85,;20.81,-37.45,;20.42,-35.96,;19.72,-38.54,;24.98,-34.79,;26.32,-35.56,;27.66,-34.79,;27.65,-33.23,;28.98,-32.46,;26.32,-32.47,;24.99,-33.24,;28.98,-35.55,;28.98,-37.09,;30.32,-37.86,;31.65,-37.09,;31.65,-35.54,;30.31,-34.78,;30.3,-33.24,)|

CC(C)c1nccc(C)c1-n1c2nc(c(Cl)cc2c(nc1=O)N1CCN(C[C@@H]1C)C(=O)[C@@H]1O[C@H]1CN1CCCCC1)-c1ccccc1F |r,wU:27.31,33.38,wD:31.34,(6.62,-17.99,;7.02,-19.48,;5.92,-20.56,;8.51,-19.88,;8.5,-21.42,;9.84,-22.2,;11.18,-21.42,;11.18,-19.89,;12.51,-19.12,;9.85,-19.12,;9.85,-17.58,;11.19,-16.81,;12.52,-17.58,;13.86,-16.81,;13.85,-15.26,;15.18,-14.49,;12.52,-14.5,;11.2,-15.27,;9.87,-14.49,;8.53,-15.25,;8.52,-16.8,;7.18,-17.56,;9.88,-12.95,;11.23,-12.19,;11.24,-10.66,;9.91,-9.87,;8.57,-10.63,;8.56,-12.18,;7.22,-12.94,;9.93,-8.33,;11.27,-7.58,;8.6,-7.55,;7.07,-7.53,;7.85,-6.21,;7.87,-4.67,;6.54,-3.88,;6.56,-2.34,;5.25,-1.55,;3.9,-2.3,;3.88,-3.84,;5.21,-4.64,;15.19,-17.58,;15.19,-19.12,;16.52,-19.89,;17.85,-19.12,;17.85,-17.57,;16.51,-16.81,;16.51,-15.27,)|

CC(C)c1nccc(C)c1-n1c2nc(c(Cl)cc2c(nc1=O)N1CCN(C[C@@H]1C)C(=O)[C@@H]1O[C@H]1CO)-c1ccccc1F |r,wU:27.31,33.38,wD:31.34,(19.81,-17.88,;20.21,-19.37,;19.12,-20.45,;21.7,-19.77,;21.7,-21.31,;23.03,-22.09,;24.37,-21.31,;24.37,-19.78,;25.7,-19.01,;23.04,-19.01,;23.05,-17.47,;24.38,-16.7,;25.71,-17.47,;27.05,-16.7,;27.05,-15.15,;28.38,-14.38,;25.71,-14.39,;24.39,-15.16,;23.06,-14.38,;21.72,-15.15,;21.71,-16.69,;20.37,-17.45,;23.08,-12.84,;24.42,-12.08,;24.43,-10.55,;23.11,-9.76,;21.76,-10.52,;21.75,-12.07,;20.41,-12.83,;23.12,-8.22,;24.46,-7.47,;21.8,-7.44,;20.26,-7.43,;21.04,-6.1,;21.06,-4.56,;19.73,-3.78,;28.38,-17.47,;28.38,-19.01,;29.71,-19.78,;31.05,-19.01,;31.04,-17.46,;29.71,-16.7,;29.7,-15.16,)|

CC(C)c1nccc(C)c1-n1c2nc(c(Cl)cc2c(nc1=O)N1CCN([C@@H](CC#N)C1)C(=O)C1CO1)-c1ccccc1F |r,wD:26.29,(-1.18,-19.62,;-.41,-18.29,;-1.18,-16.96,;1.13,-18.29,;1.13,-19.83,;2.47,-20.6,;3.8,-19.83,;3.8,-18.29,;5.13,-17.52,;2.47,-17.52,;2.47,-15.98,;3.8,-15.21,;5.13,-15.98,;6.47,-15.21,;6.47,-13.67,;7.8,-12.9,;5.13,-12.9,;3.8,-13.67,;2.47,-12.9,;1.13,-13.67,;1.13,-15.21,;-.2,-15.98,;2.47,-11.36,;3.8,-10.59,;3.8,-9.05,;2.47,-8.28,;1.13,-9.05,;-.2,-8.28,;-1.53,-9.05,;-2.87,-9.82,;1.13,-10.59,;2.47,-6.74,;3.8,-5.97,;1.13,-5.97,;.36,-4.64,;-.41,-5.97,;7.8,-15.98,;7.8,-17.52,;9.14,-18.29,;10.47,-17.52,;10.47,-15.98,;9.14,-15.21,;9.14,-13.67,)|

CC(C)c1nccc(C)c1-n1c2nc(c(Cl)cc2c(nc1=O)N1CC2(CN(C2)C(=O)C2CO2)C1)-c1ccccc1F |(-10.12,-2.05,;-9.35,-.71,;-10.12,.62,;-7.81,-.71,;-7.81,-2.25,;-6.48,-3.02,;-5.14,-2.25,;-5.14,-.71,;-3.81,.06,;-6.48,.06,;-6.48,1.6,;-5.14,2.37,;-3.81,1.6,;-2.48,2.37,;-2.48,3.91,;-1.14,4.68,;-3.81,4.68,;-5.14,3.91,;-6.48,4.68,;-7.81,3.91,;-7.81,2.37,;-9.15,1.6,;-6.48,6.22,;-5.39,7.31,;-6.48,8.39,;-7.57,9.48,;-6.48,10.57,;-5.39,9.48,;-6.48,12.11,;-7.81,12.88,;-5.15,12.88,;-4.24,14.13,;-3.61,12.72,;-7.57,7.31,;-1.14,1.6,;-1.14,.06,;.19,-.71,;1.52,.06,;1.52,1.6,;.19,2.37,;.19,3.91,)|

CC(C)c1nccc(C)c1-n1c2nc(c(Cl)cc2c(nc1=O)N1CCC2(CN(C2)C(=O)[C@H]2CO2)CC1)-c1ccccc1F |r,wD:31.34,(-5.82,-8.09,;-5.05,-6.76,;-5.82,-5.43,;-3.51,-6.76,;-3.51,-8.3,;-2.18,-9.07,;-.85,-8.3,;-.85,-6.76,;.49,-5.99,;-2.18,-5.99,;-2.18,-4.45,;-.85,-3.68,;.49,-4.45,;1.82,-3.68,;1.82,-2.14,;3.16,-1.37,;.49,-1.37,;-.85,-2.14,;-2.18,-1.37,;-3.51,-2.14,;-3.51,-3.68,;-4.85,-4.45,;-2.18,.17,;-.85,.94,;-.85,2.48,;-2.18,3.25,;-1.09,4.34,;-2.18,5.43,;-3.27,4.34,;-2.18,6.97,;-.82,7.72,;-3.51,7.74,;-4.28,9.07,;-5.05,7.74,;-3.51,2.48,;-3.51,.94,;3.16,-4.45,;3.16,-5.99,;4.49,-6.76,;5.82,-5.99,;5.82,-4.45,;4.49,-3.68,;4.49,-2.14,)|

CC(C)c1nccc(C)c1-n1c2nc(c(Cl)cc2c(nc1=O)N1CC[C@H](C1)NC(=O)C1CO1)-c1ccccc1F |r,wD:25.30,(-4.99,-6.12,;-4.22,-4.78,;-4.99,-3.45,;-2.68,-4.78,;-2.68,-6.32,;-1.34,-7.09,;-.01,-6.32,;-.01,-4.78,;1.33,-4.01,;-1.34,-4.01,;-1.34,-2.47,;-.01,-1.7,;1.33,-2.47,;2.66,-1.7,;2.66,-.16,;3.99,.61,;1.33,.61,;-.01,-.16,;-1.34,.61,;-2.68,-.16,;-2.68,-1.7,;-4.01,-2.47,;-1.34,2.15,;-.1,3.05,;-.57,4.52,;-2.11,4.52,;-2.59,3.05,;-3.02,5.76,;-4.56,5.76,;-5.33,7.09,;-5.33,4.43,;-6.66,3.66,;-5.33,2.89,;3.99,-2.47,;3.99,-4.01,;5.33,-4.78,;6.66,-4.01,;6.66,-2.47,;5.33,-1.7,;5.33,-.16,)|

CC(C)c1nccc(C)c1-n1c2nc(c(Cl)cc2c(nc1=O)N1CC(C1)NC(=O)C1CO1)-c1ccccc1F |(33.21,-16.07,;33.61,-17.56,;32.51,-18.65,;35.1,-17.97,;35.09,-19.5,;36.42,-20.28,;37.77,-19.51,;37.77,-17.97,;39.1,-17.2,;36.44,-17.2,;36.44,-15.67,;37.78,-14.9,;39.11,-15.67,;40.45,-14.9,;40.44,-13.35,;41.77,-12.57,;39.11,-12.58,;37.78,-13.35,;36.46,-12.58,;35.12,-13.34,;35.11,-14.88,;33.77,-15.65,;36.47,-11.04,;37.58,-9.96,;36.5,-8.86,;35.4,-9.94,;36.51,-7.32,;35.19,-6.54,;35.2,-5,;33.85,-7.3,;32.31,-7.28,;33.07,-8.62,;41.78,-15.66,;41.78,-17.21,;43.11,-17.97,;44.44,-17.2,;44.44,-15.65,;43.1,-14.89,;43.1,-13.35,)|

CC(C)c1nccc(C)c1-n1c2nc(c(Cl)cc2c(nc1=O)N1CCC2C1CN2C(=O)C1CO1)-c1ccccc1F |(-4.72,-6.4,;-3.95,-5.06,;-4.72,-3.73,;-2.41,-5.06,;-2.41,-6.6,;-1.08,-7.37,;.25,-6.6,;.25,-5.06,;1.59,-4.29,;-1.08,-4.29,;-1.08,-2.75,;.25,-1.98,;1.59,-2.75,;2.92,-1.98,;2.92,-.44,;4.26,.33,;1.59,.33,;.25,-.44,;-1.08,.33,;-2.41,-.44,;-2.41,-1.98,;-3.75,-2.75,;-1.08,1.87,;.17,2.77,;-.31,4.24,;-1.85,4.24,;-2.32,2.77,;-3.79,3.25,;-3.31,4.71,;-4.01,6.08,;-3.17,7.37,;-5.55,6.16,;-6.84,7,;-6.92,5.46,;4.26,-2.75,;4.26,-4.29,;5.59,-5.06,;6.92,-4.29,;6.92,-2.75,;5.59,-1.98,;5.59,-.44,)|

CC(C)c1nccc(C)c1-n1c2nc(c(Cl)cc2c(nc1=O)N(C)C1CN(C1)C(=O)C1CO1)-c1ccccc1F |(7.51,-37.67,;7.9,-39.16,;6.81,-40.25,;9.4,-39.57,;9.39,-41.1,;10.72,-41.88,;12.06,-41.11,;12.06,-39.57,;13.4,-38.8,;10.74,-38.8,;10.74,-37.27,;12.07,-36.5,;13.41,-37.27,;14.75,-36.5,;14.74,-34.95,;16.07,-34.17,;13.4,-34.18,;12.08,-34.95,;10.76,-34.18,;9.41,-34.94,;9.41,-36.48,;8.07,-37.25,;10.77,-32.64,;12.11,-31.88,;9.44,-31.85,;9.05,-30.37,;7.56,-30.75,;7.95,-32.24,;6.24,-29.97,;6.25,-28.43,;4.9,-30.73,;3.35,-30.72,;4.11,-32.06,;16.07,-37.26,;16.07,-38.8,;17.41,-39.57,;18.74,-38.8,;18.73,-37.25,;17.4,-36.49,;17.39,-34.95,)|

CC(C)c1nccc(C)c1-n1c2nc(c(Cl)cc2c(nc1=O)N(C)C1CN(C1)C(=O)[C@H]1CO1)-c1ccccc1F |r,wD:30.33,(-3.93,-3.06,;-3.16,-4.39,;-3.93,-5.73,;-1.62,-4.39,;-1.62,-5.93,;-.29,-6.7,;1.05,-5.93,;1.05,-4.39,;2.38,-3.62,;-.29,-3.62,;-.29,-2.08,;1.05,-1.31,;2.38,-2.08,;3.71,-1.31,;3.71,.23,;5.05,1,;2.38,1,;1.05,.23,;-.29,1,;-1.62,.23,;-1.62,-1.31,;-2.95,-2.08,;-.29,2.54,;1.05,3.31,;-1.62,3.31,;-2.02,4.79,;-3.51,4.39,;-3.11,2.91,;-4.84,5.16,;-4.84,6.7,;-6.17,4.39,;-7.71,4.39,;-6.94,3.06,;5.05,-2.08,;5.05,-3.62,;6.38,-4.39,;7.71,-3.62,;7.71,-2.08,;6.38,-1.31,;6.38,.23,)|

CC(C)c1nccc(C)c1-n1c2nc(c(Cl)cc2c(NC2CN(C2)C(=O)C2CO2)nc1=O)-c1ccccc1F |(-3.93,-3.06,;-3.16,-4.39,;-3.93,-5.73,;-1.62,-4.39,;-1.62,-5.93,;-.29,-6.7,;1.05,-5.93,;1.05,-4.39,;2.38,-3.62,;-.29,-3.62,;-.29,-2.08,;1.05,-1.31,;2.38,-2.08,;3.71,-1.31,;3.71,.23,;5.05,1,;2.38,1,;1.05,.23,;-.29,1,;-.29,2.54,;-1.62,3.31,;-2.02,4.79,;-3.51,4.39,;-3.11,2.91,;-4.84,5.16,;-4.84,6.7,;-6.17,4.39,;-7.71,4.39,;-6.94,3.06,;-1.62,.23,;-1.62,-1.31,;-2.95,-2.08,;5.05,-2.08,;5.05,-3.62,;6.38,-4.39,;7.71,-3.62,;7.71,-2.08,;6.38,-1.31,;6.38,.23,)|

CC(C)c1nccc(C)c1-n1c2nc(c(Cl)cc2c(N[C@@H]2CCN(C2)C(=O)C2CO2)nc1=O)-c1ccccc1F |r,wD:20.21,(-4.15,-3.43,;-3.38,-4.76,;-4.15,-6.09,;-1.84,-4.76,;-1.84,-6.3,;-.5,-7.07,;.83,-6.3,;.83,-4.76,;2.16,-3.99,;-.5,-3.99,;-.5,-2.45,;.83,-1.68,;2.16,-2.45,;3.5,-1.68,;3.5,-.14,;4.83,.63,;2.16,.63,;.83,-.14,;-.5,.63,;-.5,2.17,;-1.84,2.94,;-3.08,2.03,;-4.33,2.94,;-3.85,4.4,;-2.31,4.4,;-4.62,5.74,;-3.85,7.07,;-6.16,5.74,;-7.5,6.51,;-7.5,4.97,;-1.84,-.14,;-1.84,-1.68,;-3.17,-2.45,;4.83,-2.45,;4.83,-3.99,;6.16,-4.76,;7.5,-3.99,;7.5,-2.45,;6.16,-1.68,;6.16,-.14,)|

CC(C)c1nccc(C)c1-n1c2nc(c(Cl)cc2c(nc1=O)N1CCCC2C1CN2C(=O)C1CO1)-c1ccccc1F |(-4.18,-3.42,;-3.41,-4.75,;-4.18,-6.09,;-1.87,-4.75,;-1.87,-6.29,;-.53,-7.06,;.8,-6.29,;.8,-4.75,;2.14,-3.98,;-.53,-3.98,;-.53,-2.44,;.8,-1.67,;2.14,-2.44,;3.47,-1.67,;3.47,-.13,;4.8,.64,;2.14,.64,;.8,-.13,;-.53,.64,;-1.87,-.13,;-1.87,-1.67,;-3.2,-2.44,;-.53,2.18,;.8,2.95,;.8,4.49,;-.53,5.26,;-1.87,4.49,;-1.87,2.95,;-3.41,2.95,;-3.41,4.49,;-4.49,5.58,;-4.1,7.06,;-5.98,5.18,;-7.47,5.58,;-7.07,4.09,;4.8,-2.44,;4.8,-3.98,;6.14,-4.75,;7.47,-3.98,;7.47,-2.44,;6.14,-1.67,;6.14,-.13,)|

CC(C)c1nccc(C)c1-n1c2nc(c(Cl)cc2c(nc1=O)N1CCC[C@@H](C1)NC(=O)C1CO1)-c1ccccc1F |r,wU:26.31,(-4.21,-3.18,;-3.44,-4.52,;-4.21,-5.85,;-1.9,-4.52,;-1.9,-6.06,;-.56,-6.83,;.77,-6.06,;.77,-4.52,;2.1,-3.75,;-.56,-3.75,;-.56,-2.21,;.77,-1.44,;2.1,-2.21,;3.44,-1.44,;3.44,.1,;4.77,.87,;2.1,.87,;.77,.1,;-.56,.87,;-1.9,.1,;-1.9,-1.44,;-3.23,-2.21,;-.56,2.41,;.77,3.18,;.77,4.72,;-.56,5.49,;-1.9,4.72,;-1.9,3.18,;-3.23,5.49,;-4.56,4.72,;-4.56,3.18,;-5.9,5.49,;-7.44,5.49,;-6.67,6.83,;4.77,-2.21,;4.77,-3.75,;6.1,-4.52,;7.44,-3.75,;7.44,-2.21,;6.1,-1.44,;6.1,.1,)|

CC(C)c1nccc(C)c1-n1c2nc(c(Cl)cc2c(nc1=O)N1CC[C@@H](C1)NC(=O)C1CO1)-c1ccccc1F |r,wU:25.30,(-4.99,-3.45,;-4.22,-4.78,;-4.99,-6.12,;-2.68,-4.78,;-2.68,-6.32,;-1.34,-7.09,;-.01,-6.32,;-.01,-4.78,;1.33,-4.01,;-1.34,-4.01,;-1.34,-2.47,;-.01,-1.7,;1.33,-2.47,;2.66,-1.7,;2.66,-.16,;3.99,.61,;1.33,.61,;-.01,-.16,;-1.34,.61,;-2.68,-.16,;-2.68,-1.7,;-4.01,-2.47,;-1.34,2.15,;-.1,3.05,;-.57,4.52,;-2.11,4.52,;-2.59,3.05,;-3.02,5.76,;-4.56,5.76,;-5.33,7.09,;-5.33,4.43,;-6.66,3.66,;-5.33,2.89,;3.99,-2.47,;3.99,-4.01,;5.33,-4.78,;6.66,-4.01,;6.66,-2.47,;5.33,-1.7,;5.33,-.16,)|

CC(C)c1nccc(C)c1-n1c2nc(c(Cl)cc2c(nc1=O)N1C[C@@H](C)N(C[C@@H]1C)C(=O)[C@H]1CO1)-c1c(O)cccc1F |r,wU:28.32,wD:32.35,24.27,(22.49,-38.63,;22.88,-40.12,;21.79,-41.21,;24.38,-40.52,;24.37,-42.06,;25.7,-42.84,;27.04,-42.07,;27.04,-40.53,;28.38,-39.76,;25.72,-39.76,;25.72,-38.23,;27.06,-37.46,;28.39,-38.23,;29.73,-37.46,;29.72,-35.9,;31.05,-35.13,;28.39,-35.14,;27.06,-35.91,;25.74,-35.14,;24.39,-35.9,;24.39,-37.44,;23.05,-38.2,;25.75,-33.59,;27.09,-32.84,;27.11,-31.3,;28.45,-30.55,;25.78,-30.52,;24.44,-31.28,;24.42,-32.82,;23.08,-33.58,;25.8,-28.98,;27.14,-28.22,;24.47,-28.19,;23.72,-26.85,;22.93,-28.18,;31.06,-38.22,;31.06,-39.76,;29.72,-40.53,;32.39,-40.53,;33.72,-39.76,;33.72,-38.21,;32.38,-37.45,;32.37,-35.91,)|

CC(C)c1nccc(C)c1-n1c2nc(c(Cl)cc2c(nc1=O)N1C[C@@H](C)N(C[C@@H]1C)C(=O)[C@@H]1CO1)-c1c(O)cccc1F |r,wU:28.32,wD:24.27,32.35,(-10.31,.5,;-9.54,1.83,;-10.31,3.16,;-8,1.83,;-8,.29,;-6.67,-.48,;-5.33,.29,;-5.33,1.83,;-4,2.6,;-6.67,2.6,;-6.67,4.14,;-5.33,4.91,;-4,4.14,;-2.67,4.91,;-2.67,6.45,;-1.33,7.22,;-4,7.22,;-5.33,6.45,;-6.67,7.22,;-8,6.45,;-8,4.91,;-9.33,4.14,;-6.67,8.76,;-5.33,9.53,;-5.33,11.07,;-4,11.84,;-6.67,11.89,;-8,11.07,;-8,9.53,;-9.33,8.76,;-6.67,13.43,;-8,14.2,;-5.33,14.2,;-4.43,15.45,;-3.8,14.04,;-1.33,4.14,;-1.33,2.6,;-2.67,1.83,;0,1.83,;1.34,2.6,;1.34,4.14,;0,4.91,;0,6.45,)|