SMILES for Cyclin-dependent kinase 2/G1/S-specific cyclin-E1/G1/S-specific cyclin-E2

N[C@H]1CC[C@@H](CC1)Nc1nc(NCc2ccc(cc2)-c2ccccc2)c2ncn(C3CCCC3)c2n1 |r,wU:4.7,wD:1.0,(-2.35,-19.99,;-2.35,-18.45,;-1.02,-17.67,;-1.02,-16.13,;-2.36,-15.36,;-3.69,-16.14,;-3.68,-17.67,;-2.36,-13.82,;-1.03,-13.05,;-1.03,-11.51,;.29,-10.74,;.29,-9.2,;-1.05,-8.43,;-2.38,-9.21,;-2.37,-10.76,;-3.71,-11.53,;-5.04,-10.76,;-5.04,-9.22,;-3.71,-8.45,;-6.38,-11.53,;-7.71,-10.76,;-9.04,-11.52,;-9.04,-13.07,;-7.7,-13.84,;-6.37,-13.06,;1.63,-11.49,;3.09,-11.01,;4,-12.24,;3.11,-13.49,;3.9,-14.81,;3.31,-16.22,;4.47,-17.23,;5.79,-16.44,;5.44,-14.94,;1.65,-13.03,;.31,-13.81,)|

BDBM50378212

CC(C)n1cnc2c(NCc3ccc(cc3)-c3ccccc3)nc(N[C@H]3CC[C@H](N)CC3)nc12 |r,wU:25.26,wD:28.30,(15.79,-2.71,;16.81,-1.56,;18.32,-1.86,;16.32,-.1,;17.21,1.15,;16.3,2.39,;14.84,1.9,;13.51,2.66,;13.5,4.2,;12.16,4.96,;10.83,4.19,;10.84,2.64,;9.51,1.87,;8.17,2.64,;8.16,4.17,;9.49,4.95,;6.85,1.87,;5.51,2.63,;4.18,1.86,;4.18,.31,;5.51,-.46,;6.85,.32,;12.18,1.88,;12.18,.35,;10.85,-.43,;10.86,-1.97,;12.19,-2.73,;12.19,-4.28,;10.86,-5.05,;10.86,-6.59,;9.52,-4.28,;9.52,-2.74,;13.52,-.42,;14.85,.37,)|

BDBM50378213

COc1cccc(c1)-c1ccc(CNc2nc(N[C@H]3CC[C@H](N)CC3)nc3n(cnc23)C(C)C)cc1 |r,wU:18.18,wD:21.22,(16.24,-19.66,;16.24,-21.2,;17.57,-21.97,;17.57,-23.51,;18.91,-24.28,;20.24,-23.51,;20.24,-21.98,;18.91,-21.2,;21.57,-21.21,;22.91,-21.98,;24.24,-21.21,;24.24,-19.66,;25.57,-18.88,;26.9,-19.65,;26.91,-21.19,;25.58,-21.95,;25.59,-23.49,;24.26,-24.27,;24.26,-25.81,;25.6,-26.57,;25.6,-28.12,;24.26,-28.89,;24.26,-30.43,;22.93,-28.12,;22.93,-26.59,;26.92,-24.26,;28.26,-23.47,;29.72,-23.93,;30.61,-22.68,;29.7,-21.45,;28.25,-21.94,;30.52,-25.25,;32.06,-25.23,;29.77,-26.6,;22.9,-18.89,;21.57,-19.66,)|

BDBM50378214

CCC(=O)N[C@H]1CC[C@@H](CC1)Nc1nc(NCc2ccc(cc2)-c2ccccc2)c2ncn(C(C)C)c2n1 |r,wU:8.11,wD:5.4,(22.59,-6.26,;21.26,-5.49,;19.93,-6.26,;19.93,-7.8,;18.59,-5.49,;18.59,-3.95,;19.93,-3.18,;19.93,-1.63,;18.59,-.86,;17.26,-1.64,;17.26,-3.18,;18.59,.68,;19.92,1.45,;19.91,2.99,;21.24,3.76,;21.23,5.3,;19.9,6.06,;18.57,5.29,;18.57,3.74,;17.24,2.97,;15.9,3.74,;15.9,5.28,;17.23,6.05,;14.57,2.97,;13.24,3.74,;11.9,2.97,;11.9,1.43,;13.24,.66,;14.57,1.43,;22.58,3,;24.03,3.49,;24.94,2.26,;24.05,1.01,;24.85,-.31,;24.1,-1.66,;26.39,-.29,;22.59,1.47,;21.25,.68,)|

BDBM50378215

CC(C)n1cnc2c(NCc3ccc(cc3)-c3ccccc3)nc(N[C@H]3CC[C@@H](CC3)NS(C)(=O)=O)nc12 |r,wU:25.26,wD:28.33,(23.12,-18.44,;23.87,-17.09,;25.41,-17.07,;23.07,-15.77,;23.96,-14.53,;23.05,-13.29,;21.6,-13.78,;20.26,-13.03,;20.25,-11.49,;18.92,-10.72,;17.59,-11.5,;17.59,-13.05,;16.26,-13.82,;14.92,-13.05,;14.92,-11.5,;16.25,-10.73,;13.59,-13.82,;12.26,-13.04,;10.92,-13.81,;10.92,-15.35,;12.26,-16.12,;13.59,-15.35,;18.93,-13.8,;18.94,-15.33,;17.61,-16.11,;17.61,-17.65,;18.95,-18.42,;18.95,-19.96,;17.61,-20.73,;16.28,-19.96,;16.28,-18.43,;17.61,-22.27,;18.95,-23.04,;20.27,-23.81,;19.72,-21.71,;18.19,-24.38,;20.27,-16.1,;21.61,-15.31,)|

BDBM50378216

CC(C)n1cnc2c(NCc3ccc(cc3)-c3cccc(C)c3)nc(N[C@H]3CC[C@H](N)CC3)nc12 |r,wU:26.27,wD:29.31,(25.55,.35,;24.01,.33,;23.27,-1.02,;23.22,1.65,;24.11,2.9,;23.2,4.13,;21.74,3.64,;20.41,4.4,;20.4,5.94,;19.07,6.7,;17.73,5.93,;17.74,4.38,;16.4,3.6,;15.07,4.37,;15.07,5.92,;16.4,6.69,;13.74,3.61,;13.74,2.07,;12.41,1.3,;11.07,2.07,;11.07,3.61,;9.74,4.38,;12.4,4.38,;19.08,3.63,;19.08,2.09,;17.75,1.31,;17.76,-.23,;19.1,-.99,;19.1,-2.54,;17.76,-3.31,;17.76,-4.85,;16.43,-2.54,;16.43,-1,;20.42,1.32,;21.76,2.11,)|

BDBM50378217

CC(C)n1cnc2c(NCc3ccc(cc3)-c3ccc(C)cc3)nc(N[C@H]3CC[C@H](N)CC3)nc12 |r,wU:26.27,wD:29.31,(6.47,-13.54,;4.93,-13.56,;4.19,-14.91,;4.14,-12.24,;5.03,-10.99,;4.12,-9.76,;2.67,-10.25,;1.33,-9.5,;1.32,-7.96,;-.01,-7.19,;-1.34,-7.97,;-1.34,-9.52,;-2.68,-10.29,;-4.01,-9.52,;-4.01,-7.97,;-2.68,-7.2,;-5.34,-10.29,;-6.67,-9.51,;-8.01,-10.28,;-8.01,-11.82,;-9.34,-12.59,;-6.67,-12.59,;-5.34,-11.82,;,-10.26,;.01,-11.8,;-1.33,-12.58,;-1.32,-14.12,;.02,-14.88,;.02,-16.43,;-1.32,-17.2,;-1.32,-18.74,;-2.65,-16.43,;-2.65,-14.9,;1.34,-12.57,;2.68,-11.78,)|

BDBM50378218

CC(C)n1cnc2c(NCc3ccc(cc3)-c3cc(C)cc(C)c3)nc(N[C@H]3CC[C@H](N)CC3)nc12 |r,wU:27.28,wD:30.32,(25.07,-35.6,;23.53,-35.63,;22.78,-36.98,;22.74,-34.31,;23.63,-33.06,;22.72,-31.83,;21.26,-32.32,;19.93,-31.56,;19.92,-30.02,;18.58,-29.26,;17.25,-30.03,;17.26,-31.58,;15.92,-32.35,;14.59,-31.58,;14.59,-30.04,;15.92,-29.27,;13.26,-32.35,;11.92,-31.58,;10.59,-32.35,;9.26,-31.57,;10.59,-33.89,;11.93,-34.66,;11.93,-36.2,;13.26,-33.89,;18.6,-32.33,;18.6,-33.87,;17.27,-34.64,;17.28,-36.18,;18.62,-36.95,;18.61,-38.49,;17.28,-39.27,;17.28,-40.81,;15.95,-38.49,;15.95,-36.96,;19.94,-34.64,;21.28,-33.85,)|

BDBM50378219

CC(C)n1cnc2c(NCc3ccc(cc3)-c3ccc(C)c(C)c3)nc(N[C@H]3CC[C@H](N)CC3)nc12 |r,wU:27.28,wD:30.32,(19.5,-13.9,;17.96,-13.92,;17.21,-15.27,;17.17,-12.6,;18.06,-11.35,;17.15,-10.12,;15.69,-10.61,;14.36,-9.85,;14.35,-8.31,;13.01,-7.55,;11.68,-8.32,;11.69,-9.87,;10.35,-10.65,;9.02,-9.87,;9.02,-8.33,;10.35,-7.56,;7.69,-10.64,;7.69,-12.18,;6.36,-12.95,;5.02,-12.18,;3.68,-12.95,;5.02,-10.64,;3.69,-9.87,;6.35,-9.87,;13.03,-10.62,;13.03,-12.16,;11.7,-12.94,;11.71,-14.48,;13.05,-15.24,;13.05,-16.79,;11.71,-17.56,;11.71,-19.1,;10.38,-16.79,;10.38,-15.25,;14.37,-12.93,;15.71,-12.14,)|

BDBM50378220

CCCCN[C@H]1CC[C@@H](CC1)Nc1nc(NCc2ccc(cc2)-c2ccccc2)c2ncn(C(C)C)c2n1 |r,wU:8.11,wD:5.4,(16.08,-9.64,;16.08,-8.1,;17.41,-7.33,;17.41,-5.79,;18.75,-5.02,;18.75,-3.48,;20.08,-2.71,;20.09,-1.16,;18.75,-.4,;17.42,-1.18,;17.42,-2.71,;18.74,1.14,;20.07,1.92,;20.07,3.46,;21.4,4.22,;21.39,5.76,;20.05,6.53,;18.72,5.75,;18.73,4.2,;17.39,3.43,;16.06,4.2,;16.06,5.75,;17.39,6.52,;14.73,3.43,;13.39,4.21,;12.06,3.44,;12.06,1.9,;13.4,1.13,;14.73,1.9,;22.73,3.47,;24.19,3.96,;25.1,2.73,;24.21,1.48,;25,.16,;24.25,-1.19,;26.54,.18,;22.75,1.94,;21.41,1.15,)|

BDBM50378208

CC(C)n1cnc2c(NCc3ccc(cc3)-c3ccccc3)nc(N[C@H]3CC[C@@H](CC3)NCC3CC3)nc12 |r,wU:25.26,wD:28.33,(3.5,-19.95,;4.25,-18.6,;5.79,-18.58,;3.46,-17.28,;4.35,-16.03,;3.44,-14.8,;1.98,-15.29,;.64,-14.54,;.64,-13,;-.7,-12.23,;-2.03,-13.01,;-2.02,-14.56,;-3.36,-15.33,;-4.69,-14.56,;-4.69,-13.01,;-3.36,-12.24,;-6.03,-15.33,;-7.36,-14.55,;-8.69,-15.32,;-8.69,-16.86,;-7.35,-17.63,;-6.02,-16.86,;-.68,-15.3,;-.68,-16.84,;-2.01,-17.62,;-2.01,-19.16,;-.67,-19.92,;-.67,-21.47,;-2,-22.24,;-3.33,-21.47,;-3.34,-19.94,;-2,-23.78,;-3.34,-24.55,;-3.34,-26.09,;-4.1,-27.43,;-2.56,-27.43,;.66,-17.61,;2,-16.82,)|

BDBM50378221

CC(C)n1cnc2c(NCc3ccc(cc3)-c3ccccc3)nc(N[C@H]3CC[C@@H](CC3)NC(C)=O)nc12 |r,wU:25.26,wD:28.33,(4.35,-1.61,;5.1,-.26,;6.64,-.24,;4.31,1.06,;5.2,2.31,;4.28,3.54,;2.83,3.05,;1.49,3.8,;1.49,5.34,;.15,6.11,;-1.18,5.33,;-1.18,3.78,;-2.51,3.01,;-3.85,3.78,;-3.84,5.33,;-2.52,6.1,;-5.18,3.01,;-6.51,3.79,;-7.84,3.02,;-7.85,1.48,;-6.5,.71,;-5.18,1.48,;.16,3.04,;.17,1.5,;-1.16,.72,;-1.16,-.82,;.18,-1.58,;.18,-3.13,;-1.15,-3.9,;-2.49,-3.13,;-2.49,-1.6,;-1.15,-5.44,;.18,-6.21,;1.51,-5.44,;.18,-7.75,;1.51,.73,;2.84,1.52,)|

BDBM50378222

CC(C)n1cnc2c(NCc3ccc(cc3)-c3ccccc3)nc(N[C@H]3CC[C@@H](CC3)NC(=O)CC3CC3)nc12 |r,wU:25.26,wD:28.33,(3.88,-17.86,;4.63,-16.51,;6.17,-16.49,;3.84,-15.19,;4.73,-13.94,;3.82,-12.71,;2.36,-13.2,;1.03,-12.44,;1.02,-10.9,;-.32,-10.14,;-1.65,-10.91,;-1.64,-12.46,;-2.98,-13.24,;-4.31,-12.46,;-4.31,-10.92,;-2.98,-10.15,;-5.64,-13.23,;-6.98,-12.46,;-8.31,-13.23,;-8.31,-14.77,;-6.97,-15.54,;-5.64,-14.77,;-.3,-13.21,;-.3,-14.75,;-1.63,-15.53,;-1.62,-17.07,;-.28,-17.83,;-.29,-19.38,;-1.62,-20.15,;-2.95,-19.38,;-2.95,-17.84,;-1.62,-21.69,;-.29,-22.46,;-.29,-24,;1.05,-21.69,;2.38,-22.46,;3.15,-23.78,;3.92,-22.45,;1.04,-15.52,;2.38,-14.73,)|

BDBM50378223

CC(C)n1cnc2c(NCc3ccc(cc3)-c3ccccc3)nc(NCCCN)nc12

BDBM50378225

CC(C)n1cnc2c(NC(C)c3ccc(cc3)-c3ccccc3)nc(N[C@H]3CC[C@H](N)CC3)nc12 |r,wU:26.27,wD:29.31,(26.81,-28.42,;25.27,-28.44,;24.52,-29.79,;24.47,-27.12,;25.36,-25.87,;24.45,-24.64,;23,-25.13,;21.66,-24.37,;21.65,-22.83,;20.32,-22.07,;20.31,-20.53,;18.99,-22.84,;18.99,-24.39,;17.66,-25.17,;16.32,-24.4,;16.32,-22.85,;17.65,-22.08,;14.99,-25.16,;13.66,-24.39,;12.32,-25.16,;12.32,-26.7,;13.66,-27.47,;14.99,-26.7,;20.33,-25.14,;20.34,-26.68,;19.01,-27.46,;19.01,-29,;20.35,-29.76,;20.35,-31.31,;19.01,-32.08,;19.01,-33.62,;17.68,-31.31,;17.68,-29.77,;21.67,-27.45,;23.01,-26.66,)|

BDBM50378228

CC(C)n1cnc2c(NCc3ccc(cc3)-c3ccccc3)nc(nc12)N1CCC(CC1)C(N)=O

BDBM50378229

CC(C)n1cnc2c(NCc3ccc(cc3)-c3ccccc3)nc(N[C@H]3CC[C@@H](CC3)NS(=O)(=O)C(F)(F)F)nc12 |r,wU:25.26,wD:28.33,(2.02,-34.46,;2.77,-33.12,;4.31,-33.09,;1.98,-31.8,;2.87,-30.55,;1.96,-29.32,;.5,-29.8,;-.83,-29.05,;-.84,-27.51,;-2.18,-26.74,;-3.51,-27.52,;-3.5,-29.07,;-4.84,-29.84,;-6.17,-29.07,;-6.17,-27.53,;-4.84,-26.75,;-7.5,-29.84,;-8.84,-29.07,;-10.17,-29.83,;-10.17,-31.37,;-8.83,-32.15,;-7.5,-31.37,;-2.16,-29.82,;-2.16,-31.36,;-3.49,-32.13,;-3.48,-33.67,;-2.14,-34.44,;-2.14,-35.98,;-3.48,-36.75,;-4.81,-35.98,;-4.81,-34.45,;-3.48,-38.29,;-2.15,-39.07,;-1.38,-37.73,;-2.91,-40.4,;-.82,-39.83,;-.83,-41.37,;.51,-39.06,;-1.91,-40.92,;-.82,-32.12,;.52,-31.34,)|

BDBM50378205

CC(C)n1cnc2c(NCc3ccc(cc3)-c3ccccc3)nc(N[C@@H]3CCCC[C@@H]3N)nc12 |r|

BDBM50378230

CC(C)n1cnc2c(NCc3ccc(cc3)-c3ccccc3)nc(N[C@H]3CC[C@H](O)CC3)nc12 |r,wU:25.26,wD:28.30,(3.63,-15.66,;4.38,-14.31,;5.92,-14.29,;3.59,-12.99,;4.48,-11.74,;3.57,-10.51,;2.11,-11,;.78,-10.24,;.77,-8.7,;-.57,-7.94,;-1.9,-8.71,;-1.89,-10.26,;-3.23,-11.03,;-4.56,-10.26,;-4.56,-8.72,;-3.23,-7.95,;-5.89,-11.03,;-7.23,-10.26,;-8.56,-11.03,;-8.56,-12.57,;-7.22,-13.34,;-5.89,-12.57,;-.55,-11.01,;-.55,-12.55,;-1.88,-13.32,;-1.87,-14.86,;-.53,-15.63,;-.53,-17.18,;-1.87,-17.95,;-1.87,-19.49,;-3.2,-17.18,;-3.2,-15.64,;.79,-13.32,;2.13,-12.53,)|

BDBM50378231

CCCN[C@H]1CC[C@@H](CC1)Nc1nc(NCc2ccc(cc2)-c2ccccc2)c2ncn(C(C)C)c2n1 |r,wU:7.10,wD:4.3,(-5.06,-9.09,;-3.73,-8.32,;-3.73,-6.78,;-2.39,-6.01,;-2.39,-4.47,;-1.06,-3.7,;-1.05,-2.15,;-2.39,-1.39,;-3.72,-2.16,;-3.72,-3.7,;-2.4,.15,;-1.07,.93,;-1.07,2.47,;.26,3.24,;.25,4.78,;-1.09,5.54,;-2.42,4.77,;-2.41,3.22,;-3.75,2.44,;-5.08,3.22,;-5.08,4.76,;-3.75,5.53,;-6.41,2.45,;-7.75,3.22,;-9.08,2.45,;-9.08,.91,;-7.74,.14,;-6.41,.91,;1.59,2.48,;3.05,2.97,;3.96,1.74,;3.07,.49,;3.86,-.83,;3.11,-2.18,;5.4,-.81,;1.61,.95,;.27,.16,)|

BDBM50378232

CC(C)n1cnc2c(NCc3ccc(cc3)-c3cccc(Cl)c3)nc(N[C@H]3CC[C@H](N)CC3)nc12 |r,wU:26.27,wD:29.31,(27.59,-44.35,;26.05,-44.38,;25.3,-45.73,;25.26,-43.06,;26.15,-41.81,;25.24,-40.58,;23.78,-41.07,;22.45,-40.31,;22.44,-38.77,;21.1,-38.01,;19.77,-38.78,;19.78,-40.33,;18.44,-41.1,;17.11,-40.33,;17.11,-38.79,;18.44,-38.02,;15.78,-41.1,;15.78,-42.64,;14.45,-43.41,;13.11,-42.64,;13.11,-41.1,;11.78,-40.32,;14.44,-40.33,;21.12,-41.08,;21.12,-42.62,;19.79,-43.39,;19.8,-44.93,;21.14,-45.7,;21.13,-47.24,;19.8,-48.02,;19.8,-49.56,;18.47,-47.24,;18.47,-45.71,;22.46,-43.39,;23.8,-42.6,)|

BDBM50378233

CC(C)n1cnc2c(NCc3ccc(cc3)-c3ccc(F)cc3)nc(N[C@H]3CC[C@H](N)CC3)nc12 |r,wU:26.27,wD:29.31,(8.18,-27.85,;6.64,-27.87,;5.89,-29.22,;5.85,-26.55,;6.74,-25.31,;5.82,-24.07,;4.37,-24.56,;3.03,-23.81,;3.03,-22.27,;1.69,-21.5,;.36,-22.28,;.36,-23.83,;-.97,-24.6,;-2.31,-23.83,;-2.3,-22.28,;-.98,-21.51,;-3.64,-24.6,;-4.97,-23.82,;-6.3,-24.59,;-6.31,-26.13,;-7.64,-26.9,;-4.96,-26.9,;-3.64,-26.13,;1.7,-24.58,;1.71,-26.11,;.38,-26.89,;.38,-28.43,;1.72,-29.2,;1.72,-30.74,;.39,-31.51,;.39,-33.05,;-.95,-30.74,;-.95,-29.21,;3.05,-26.88,;4.38,-26.09,)|

BDBM50378234

CC(C)n1cnc2c(NCc3ccc(cc3)-c3ccccc3)nc(NCCN)nc12

BDBM50378235

CC[C@H](CO)Nc1nc(NCc2ccc(cc2)-c2ccccc2)c2ncn(C(C)C)c2n1 |r|

BDBM50378236

CC(C)n1cnc2c(NCc3ccc(cc3)-c3ccccc3)nc(NC3(CO)CCCC3)nc12

BDBM50378237

CC(C)n1cnc2c(NCc3ccc(cc3)-c3ccccc3Cl)nc(N[C@H]3CC[C@H](N)CC3)nc12 |r,wU:26.27,wD:29.31,(8.16,-44.95,;6.62,-44.98,;5.87,-46.32,;5.83,-43.66,;6.72,-42.41,;5.81,-41.18,;4.35,-41.66,;3.02,-40.91,;3.01,-39.37,;1.67,-38.6,;.34,-39.38,;.35,-40.93,;-.99,-41.7,;-2.32,-40.93,;-2.32,-39.39,;-.99,-38.62,;-3.65,-41.7,;-3.65,-43.23,;-4.98,-44.01,;-6.32,-43.24,;-6.32,-41.69,;-4.99,-40.93,;-4.98,-39.39,;1.69,-41.68,;1.69,-43.22,;.36,-43.99,;.37,-45.53,;1.71,-46.3,;1.71,-47.84,;.37,-48.62,;.37,-50.16,;-.96,-47.84,;-.96,-46.31,;3.03,-43.98,;4.37,-43.2,)|

BDBM50378238

CC(C)n1cnc2c(NCc3ccc(cc3)-c3cccc(F)c3)nc(N[C@H]3CC[C@H](N)CC3)nc12 |r,wU:26.27,wD:29.31,(25.97,-13.34,;24.43,-13.36,;23.69,-14.71,;23.64,-12.04,;24.53,-10.79,;23.62,-9.56,;22.16,-10.05,;20.83,-9.29,;20.82,-7.75,;19.49,-6.99,;18.15,-7.76,;18.16,-9.31,;16.82,-10.09,;15.49,-9.31,;15.49,-7.77,;16.82,-7,;14.16,-10.08,;14.16,-11.62,;12.83,-12.39,;11.49,-11.62,;11.49,-10.08,;10.16,-9.31,;12.82,-9.31,;19.5,-10.06,;19.5,-11.6,;18.17,-12.38,;18.18,-13.92,;19.52,-14.68,;19.52,-16.23,;18.18,-17,;18.18,-18.54,;16.85,-16.23,;16.85,-14.69,;20.84,-12.37,;22.18,-11.58,)|

BDBM50378209

C[C@@H](CNc1nc(NCc2ccc(cc2)-c2ccccc2)c2ncn(C(C)C)c2n1)NC(=O)OC(C)(C)C |r|

BDBM50378239

Cn1cnc2c(NCc3ccc(cc3)-c3ccccc3)nc(N[C@H]3CC[C@H](N)CC3)nc12 |r,wU:23.24,wD:26.28,(17.16,-33.42,;16.37,-32.1,;17.26,-30.85,;16.35,-29.62,;14.89,-30.11,;13.56,-29.35,;13.55,-27.81,;12.21,-27.05,;10.88,-27.82,;10.89,-29.37,;9.55,-30.14,;8.22,-29.37,;8.22,-27.83,;9.55,-27.06,;6.89,-30.14,;5.55,-29.37,;4.22,-30.14,;4.22,-31.68,;5.56,-32.45,;6.89,-31.68,;12.23,-30.12,;12.23,-31.66,;10.9,-32.43,;10.91,-33.97,;12.25,-34.74,;12.24,-36.29,;10.91,-37.06,;10.91,-38.6,;9.58,-36.29,;9.58,-34.75,;13.57,-32.43,;14.91,-31.64,)|

BDBM50378240

CC(C)n1cnc2c(NCCc3ccc(cc3)-c3ccccc3)nc(N[C@H]3CC[C@H](N)CC3)nc12 |r,wU:26.27,wD:29.31,(6.21,-31.57,;4.67,-31.59,;3.92,-32.94,;3.88,-30.27,;4.77,-29.02,;3.86,-27.79,;2.4,-28.28,;1.06,-27.52,;1.06,-25.98,;-.28,-25.22,;-1.61,-25.99,;-2.95,-25.23,;-2.94,-23.69,;-4.28,-22.93,;-5.61,-23.7,;-5.6,-25.25,;-4.26,-26.01,;-6.96,-22.94,;-6.96,-21.4,;-8.3,-20.64,;-9.63,-21.42,;-9.62,-22.96,;-8.28,-23.72,;-.26,-28.29,;-.26,-29.83,;-1.59,-30.61,;-1.59,-32.15,;-.25,-32.91,;-.25,-34.46,;-1.58,-35.23,;-1.58,-36.77,;-2.91,-34.46,;-2.92,-32.92,;1.08,-30.6,;2.42,-29.81,)|

BDBM50378242

C[C@H](N)CNc1nc(NCc2ccc(cc2)-c2ccccc2)c2ncn(C(C)C)c2n1 |r|

BDBM50378243

CCN[C@H]1CC[C@@H](CC1)Nc1nc(NCc2ccc(cc2)-c2ccccc2)c2ncn(C(C)C)c2n1 |r,wU:6.9,wD:3.2,(19.82,-48.64,;19.83,-47.1,;21.16,-46.33,;21.16,-44.79,;22.5,-44.02,;22.5,-42.47,;21.16,-41.71,;19.83,-42.48,;19.83,-44.02,;21.15,-40.17,;22.48,-39.39,;22.48,-37.85,;23.81,-37.08,;23.8,-35.54,;22.46,-34.78,;21.13,-35.55,;21.14,-37.1,;19.8,-37.88,;18.47,-37.1,;18.47,-35.56,;19.8,-34.79,;17.14,-37.87,;15.8,-37.1,;14.47,-37.87,;14.47,-39.41,;15.81,-40.18,;17.14,-39.41,;25.14,-37.84,;26.6,-37.35,;27.51,-38.58,;26.62,-39.83,;27.41,-41.15,;26.66,-42.5,;28.95,-41.13,;25.16,-39.37,;23.82,-40.16,)|

BDBM50378241

CC(C)n1cnc2c(NCc3ccc(cc3)-c3ccc(Cl)cc3)nc(N[C@H]3CC[C@H](N)CC3)nc12 |r,wU:26.27,wD:29.31,(7.28,.43,;5.74,.41,;4.99,-.94,;4.94,1.73,;5.83,2.97,;4.92,4.21,;3.47,3.72,;2.13,4.47,;2.12,6.01,;.79,6.78,;-.54,6,;-.54,4.45,;-1.87,3.68,;-3.21,4.45,;-3.21,6,;-1.88,6.77,;-4.54,3.68,;-5.87,4.46,;-7.21,3.69,;-7.21,2.15,;-8.54,1.38,;-5.87,1.38,;-4.54,2.15,;.8,3.7,;.81,2.17,;-.52,1.39,;-.52,-.15,;.82,-.92,;.82,-2.46,;-.52,-3.23,;-.52,-4.77,;-1.85,-2.46,;-1.85,-.93,;2.14,1.4,;3.48,2.19,)|

BDBM50378227

CC(C)n1cnc2c(NCc3ccc(cc3)-c3cccc(c3)C(O)=O)nc(N[C@H]3CC[C@H](N)CC3)nc12 |r,wU:28.29,wD:31.33,(7.53,-40.27,;5.99,-40.3,;5.24,-41.64,;5.2,-38.98,;6.09,-37.73,;5.18,-36.49,;3.72,-36.98,;2.39,-36.23,;2.38,-34.69,;1.04,-33.92,;-.29,-34.7,;-.28,-36.25,;-1.62,-37.02,;-2.95,-36.25,;-2.95,-34.7,;-1.62,-33.93,;-4.28,-37.02,;-4.28,-38.55,;-5.61,-39.32,;-6.95,-38.55,;-6.95,-37.01,;-5.62,-36.24,;-8.28,-36.24,;-9.62,-37.01,;-8.28,-34.7,;1.06,-37,;1.06,-38.54,;-.27,-39.31,;-.26,-40.85,;1.08,-41.62,;1.08,-43.16,;-.26,-43.93,;-.26,-45.47,;-1.59,-43.16,;-1.59,-41.63,;2.4,-39.3,;3.74,-38.52,)|

BDBM50378224

CC(C)n1cnc2c(NCc3ccc(cc3)-c3ccccc3)nc(NCC3CCNCC3)nc12

BDBM50378244

CC(C)n1cnc2c(NCc3ccc(cc3)-c3ccccc3)nc(NCCCCN)nc12

BDBM50378245

CC(C)n1cnc2c(NCc3ccc(cc3)-c3ccccc3)nc(nc12)N1CCC(N)C1

BDBM50378226

CCN(CC)[C@H]1CC[C@@H](CC1)Nc1nc(NCc2ccc(cc2)-c2ccccc2)c2ncn(C(C)C)c2n1 |r,wU:8.11,wD:5.4,(17.85,-27.15,;17.85,-25.61,;19.18,-24.84,;20.52,-25.61,;20.52,-27.15,;19.19,-23.3,;20.52,-22.53,;20.52,-20.98,;19.18,-20.22,;17.85,-20.99,;17.85,-22.53,;19.18,-18.68,;20.51,-17.9,;20.5,-16.36,;21.83,-15.59,;21.83,-14.05,;20.49,-13.29,;19.16,-14.06,;19.16,-15.61,;17.83,-16.39,;16.49,-15.61,;16.49,-14.07,;17.82,-13.3,;15.16,-16.38,;13.83,-15.61,;12.49,-16.38,;12.49,-17.92,;13.83,-18.69,;15.16,-17.92,;23.17,-16.35,;24.62,-15.86,;25.54,-17.09,;24.65,-18.34,;25.44,-19.66,;24.69,-21.01,;26.98,-19.64,;23.18,-17.88,;21.84,-18.67,)|

BDBM50378319

CC(C)n1cnc2c(NCc3ccc(nc3)-c3cccs3)nc(N[C@H]3CC[C@H](N)CC3)nc12 |r,wU:24.25,wD:27.29,(30.87,-45.55,;31.89,-44.4,;33.4,-44.7,;31.4,-42.94,;32.29,-41.69,;31.38,-40.45,;29.92,-40.94,;28.59,-40.18,;28.58,-38.64,;27.24,-37.88,;25.91,-38.65,;24.58,-37.89,;23.25,-38.67,;23.26,-40.21,;24.61,-40.97,;25.93,-40.19,;21.93,-40.99,;21.78,-42.52,;20.27,-42.85,;19.49,-41.52,;20.52,-40.37,;27.26,-40.96,;27.26,-42.49,;25.93,-43.27,;25.94,-44.81,;27.27,-45.57,;27.27,-47.12,;25.94,-47.89,;25.94,-49.43,;24.6,-47.12,;24.6,-45.58,;28.6,-43.26,;29.94,-42.47,)|

BDBM50378305

CC(C)n1cnc2c(NCc3ccc(s3)-c3nc(C)cs3)nc(N[C@H]3CC[C@H](N)CC3)nc12 |r,wU:24.25,wD:27.29,(1.97,-46.51,;2.99,-45.36,;4.49,-45.66,;2.5,-43.9,;3.39,-42.65,;2.48,-41.41,;1.02,-41.9,;-.31,-41.14,;-.32,-39.6,;-1.66,-38.84,;-2.99,-39.61,;-3.15,-41.15,;-4.65,-41.48,;-5.43,-40.15,;-4.4,-39,;-6.97,-40.15,;-7.87,-38.91,;-9.34,-39.39,;-10.58,-38.49,;-9.33,-40.93,;-7.87,-41.4,;-1.65,-41.91,;-1.64,-43.45,;-2.97,-44.23,;-2.96,-45.77,;-1.63,-46.53,;-1.63,-48.08,;-2.96,-48.85,;-2.96,-50.39,;-4.3,-48.08,;-4.3,-46.54,;-.3,-44.22,;1.03,-43.43,)|

BDBM50003691

CC(C)n1cnc2c(NCc3cnc(s3)-c3ccccc3)nc(N[C@H]3CC[C@H](N)CC3)nc12

BDBM50378304

CC(C)n1cnc2c(NCc3ccc(nc3)-c3ccsc3)nc(N[C@H]3CC[C@H](N)CC3)nc12 |r,wU:24.25,wD:27.29,(.11,-31.85,;1.13,-30.7,;2.64,-31.01,;.64,-29.24,;1.53,-27.99,;.62,-26.75,;-.84,-27.24,;-2.17,-26.48,;-2.18,-24.94,;-3.52,-24.18,;-4.85,-24.96,;-6.18,-24.19,;-7.51,-24.97,;-7.5,-26.51,;-6.15,-27.27,;-4.83,-26.49,;-8.83,-27.29,;-8.98,-28.83,;-10.49,-29.16,;-11.27,-27.83,;-10.24,-26.68,;-3.5,-27.26,;-3.5,-28.8,;-4.83,-29.57,;-4.82,-31.11,;-3.49,-31.87,;-3.49,-33.42,;-4.82,-34.19,;-4.82,-35.73,;-6.16,-33.42,;-6.16,-31.89,;-2.16,-29.56,;-.83,-28.78,)|

BDBM50378288

CC(C)n1cnc2c(NCc3ccc(nc3)-c3ccccn3)nc(N[C@H]3CC[C@H](N)CC3)nc12 |r,wU:25.26,wD:28.30,(14.81,-30.86,;15.83,-29.71,;17.34,-30.01,;15.34,-28.25,;16.23,-27,;15.32,-25.76,;13.86,-26.25,;12.53,-25.49,;12.52,-23.95,;11.18,-23.19,;9.85,-23.96,;8.52,-23.2,;7.19,-23.98,;7.2,-25.52,;8.55,-26.28,;9.87,-25.5,;5.88,-26.3,;5.89,-27.83,;4.57,-28.61,;3.22,-27.85,;3.21,-26.31,;4.54,-25.53,;11.2,-26.26,;11.2,-27.8,;9.87,-28.58,;9.88,-30.12,;11.21,-30.88,;11.21,-32.43,;9.88,-33.2,;9.88,-34.74,;8.54,-32.43,;8.54,-30.89,;12.54,-28.57,;13.88,-27.78,)|

BDBM50378289

CC(C)n1cnc2c(NCc3ccc(nc3)-c3ccccc3)nc(N[C@H]3CC[C@H](N)CC3)nc12 |r,wU:25.26,wD:28.30,(1.05,-1.82,;2.08,-.67,;3.58,-.98,;1.59,.79,;2.48,2.04,;1.57,3.28,;.11,2.79,;-1.22,3.55,;-1.23,5.09,;-2.57,5.85,;-3.9,5.07,;-3.89,3.53,;-5.22,2.76,;-6.56,3.53,;-6.57,5.06,;-5.24,5.84,;-7.89,2.75,;-9.23,3.52,;-10.56,2.74,;-10.55,1.2,;-9.2,.44,;-7.88,1.21,;-2.56,2.77,;-2.55,1.23,;-3.88,.46,;-3.87,-1.08,;-2.54,-1.84,;-2.54,-3.39,;-3.87,-4.16,;-3.87,-5.7,;-5.21,-3.39,;-5.21,-1.86,;-1.21,.47,;.12,1.25,)|

BDBM50378290

CC(C)n1cnc2c(NCc3ccc(nc3)-c3cccc(F)c3)nc(N[C@H]3CC[C@H](N)CC3)nc12 |r,wU:26.27,wD:29.31,(29.87,-.79,;30.89,.36,;32.4,.06,;30.4,1.83,;31.3,3.08,;30.38,4.31,;28.93,3.82,;27.59,4.58,;27.59,6.12,;26.25,6.88,;24.92,6.11,;24.92,4.56,;23.59,3.79,;22.26,4.56,;22.25,6.09,;23.57,6.87,;20.93,3.78,;20.94,2.25,;19.61,1.47,;18.27,2.23,;18.26,3.78,;16.92,4.54,;19.59,4.55,;26.26,3.81,;26.27,2.27,;24.94,1.49,;24.95,-.05,;26.28,-.81,;26.28,-2.35,;24.94,-3.13,;24.94,-4.67,;23.61,-2.36,;23.61,-.82,;27.61,1.5,;28.94,2.29,)|

BDBM50378291

CC(C)n1cnc2c(NCc3ccc(s3)-c3ccccn3)nc(N[C@H]3CC[C@H](N)CC3)nc12 |r,wU:24.25,wD:27.29,(16.31,-45.59,;17.34,-44.44,;18.84,-44.74,;16.85,-42.97,;17.74,-41.72,;16.83,-40.49,;15.37,-40.98,;14.04,-40.22,;14.03,-38.68,;12.69,-37.92,;11.36,-38.69,;11.2,-40.23,;9.7,-40.56,;8.92,-39.23,;9.95,-38.08,;7.38,-39.23,;6.62,-37.9,;5.08,-37.9,;4.31,-39.23,;5.09,-40.57,;6.63,-40.56,;12.7,-40.99,;12.71,-42.53,;11.38,-43.31,;11.39,-44.85,;12.72,-45.61,;12.72,-47.15,;11.39,-47.93,;11.39,-49.47,;10.05,-47.16,;10.05,-45.62,;14.05,-43.3,;15.38,-42.51,)|

BDBM50378292

CC(C)n1cnc2c(NCc3ccc(nc3)-n3cccn3)nc(N[C@H]3CC[C@H](N)CC3)nc12 |r,wU:24.25,wD:27.29,(46.25,-43.57,;47.27,-42.41,;48.78,-42.72,;46.78,-40.95,;47.68,-39.7,;46.76,-38.47,;45.31,-38.95,;43.97,-38.2,;43.97,-36.66,;42.63,-35.89,;41.3,-36.67,;39.97,-35.91,;38.64,-36.68,;38.65,-38.22,;39.99,-38.99,;41.32,-38.21,;37.31,-39.01,;35.9,-38.39,;34.88,-39.54,;35.66,-40.87,;37.16,-40.54,;42.64,-38.97,;42.65,-40.51,;41.32,-41.29,;41.33,-42.83,;42.66,-43.59,;42.66,-45.13,;41.32,-45.91,;41.32,-47.45,;39.99,-45.13,;39.99,-43.6,;43.99,-41.28,;45.32,-40.49,)|

BDBM50378293

CC(C)n1cnc2c(NCc3ccc(s3)-c3cccs3)nc(N[C@H]3CC[C@H](N)CC3)nc12 |r,wU:23.24,wD:26.28,(29.82,-30.94,;30.84,-29.79,;32.35,-30.1,;30.35,-28.33,;31.24,-27.08,;30.33,-25.84,;28.87,-26.33,;27.54,-25.57,;27.53,-24.03,;26.19,-23.27,;24.86,-24.05,;24.71,-25.59,;23.2,-25.91,;22.43,-24.58,;23.45,-23.43,;20.89,-24.59,;19.98,-25.84,;18.52,-25.36,;18.52,-23.82,;19.98,-23.35,;26.21,-26.35,;26.21,-27.89,;24.88,-28.66,;24.89,-30.2,;26.22,-30.96,;26.22,-32.51,;24.89,-33.28,;24.89,-34.82,;23.55,-32.51,;23.55,-30.98,;27.55,-28.65,;28.89,-27.87,)|

BDBM50378294

CC(C)n1cnc2c(NCc3ccc(cc3)-c3cccnc3)nc(N[C@H]3CC[C@H](N)CC3)nc12 |r,wU:25.26,wD:28.30,(.84,-15.51,;1.87,-14.36,;3.37,-14.67,;1.38,-12.9,;2.27,-11.65,;1.36,-10.41,;-.1,-10.9,;-1.43,-10.14,;-1.44,-8.6,;-2.78,-7.84,;-4.11,-8.62,;-4.1,-10.16,;-5.43,-10.93,;-6.77,-10.16,;-6.78,-8.63,;-5.45,-7.85,;-8.1,-10.94,;-8.09,-12.49,;-9.43,-13.26,;-10.76,-12.49,;-10.76,-10.94,;-9.43,-10.17,;-2.77,-10.92,;-2.76,-12.46,;-4.09,-13.23,;-4.08,-14.77,;-2.75,-15.53,;-2.75,-17.08,;-4.08,-17.85,;-4.08,-19.39,;-5.42,-17.08,;-5.42,-15.55,;-1.42,-13.22,;-.09,-12.44,)|

BDBM50378295

CC(C)n1cnc2c(NCc3ccc(s3)-c3ccccc3F)nc(N[C@H]3CC[C@H](N)CC3)nc12 |r,wU:25.26,wD:28.30,(16.24,-30.97,;17.26,-29.82,;18.77,-30.13,;16.77,-28.36,;17.66,-27.11,;16.75,-25.88,;15.29,-26.36,;13.96,-25.61,;13.95,-24.07,;12.61,-23.3,;11.28,-24.08,;11.13,-25.62,;9.62,-25.95,;8.85,-24.62,;9.87,-23.47,;7.31,-24.62,;6.54,-25.95,;5.01,-25.96,;4.24,-24.62,;5,-23.29,;6.53,-23.29,;7.3,-21.95,;12.63,-26.38,;12.63,-27.92,;11.3,-28.69,;11.31,-30.23,;12.64,-30.99,;12.64,-32.54,;11.31,-33.31,;11.31,-34.85,;9.97,-32.54,;9.97,-31.01,;13.97,-28.68,;15.31,-27.9,)|

BDBM50378296

CC(C)n1cnc2c(NCc3csc(c3)-c3ccccc3)nc(N[C@H]3CC[C@H](N)CC3)nc12 |r,wU:24.25,wD:27.29,(28.27,-15.16,;29.29,-14.01,;30.8,-14.32,;28.8,-12.55,;29.7,-11.3,;28.78,-10.06,;27.33,-10.55,;25.99,-9.79,;25.99,-8.25,;24.65,-7.49,;23.32,-8.27,;21.91,-7.66,;20.89,-8.81,;21.66,-10.14,;23.17,-9.81,;20.91,-11.47,;19.37,-11.49,;18.62,-12.83,;19.4,-14.16,;20.95,-14.13,;21.7,-12.79,;24.66,-10.57,;24.67,-12.11,;23.34,-12.88,;23.34,-14.42,;24.68,-15.18,;24.68,-16.73,;23.34,-17.5,;23.34,-19.04,;22.01,-16.73,;22,-15.2,;26.01,-12.87,;27.34,-12.09,)|

BDBM50378297

CC(C)n1cnc2c(NCc3ccc(cc3)-c3cccs3)nc(N[C@H]3CC[C@H](N)CC3)nc12 |r,wU:24.25,wD:27.29,(15.61,-15.74,;16.64,-14.59,;18.14,-14.9,;16.15,-13.13,;17.04,-11.88,;16.13,-10.65,;14.67,-11.13,;13.34,-10.38,;13.33,-8.84,;11.99,-8.07,;10.66,-8.85,;10.67,-10.39,;9.34,-11.17,;8,-10.4,;7.99,-8.86,;9.32,-8.09,;6.67,-11.18,;6.52,-12.71,;5.01,-13.04,;4.24,-11.7,;5.26,-10.56,;12,-11.15,;12.01,-12.69,;10.68,-13.47,;10.69,-15.01,;12.02,-15.77,;12.02,-17.31,;10.69,-18.08,;10.69,-19.62,;9.35,-17.31,;9.35,-15.78,;13.35,-13.45,;14.68,-12.67,)|

BDBM50378298

CC(C)n1cnc2c(NCc3ccc(cc3)-c3ccco3)nc(N[C@H]3CC[C@H](N)CC3)nc12 |r,wU:24.25,wD:27.29,(15.33,-28.96,;16.35,-27.81,;17.86,-28.11,;15.86,-26.35,;16.75,-25.1,;15.84,-23.86,;14.38,-24.35,;13.05,-23.59,;13.04,-22.05,;11.7,-21.29,;10.37,-22.06,;10.38,-23.61,;9.05,-24.38,;7.71,-23.61,;7.7,-22.08,;9.03,-21.3,;6.38,-24.39,;6.23,-25.92,;4.72,-26.25,;3.95,-24.92,;4.97,-23.77,;11.72,-24.37,;11.72,-25.9,;10.39,-26.68,;10.4,-28.22,;11.73,-28.98,;11.73,-30.53,;10.4,-31.3,;10.4,-32.84,;9.06,-30.53,;9.06,-28.99,;13.06,-26.67,;14.4,-25.88,)|

BDBM50378299

CC(C)n1cnc2c(NCc3ccc(s3)-c3cccc(F)c3)nc(N[C@H]3CC[C@H](N)CC3)nc12 |r,wU:25.26,wD:28.30,(30.5,-30.58,;31.52,-29.42,;33.03,-29.73,;31.03,-27.96,;31.93,-26.71,;31.01,-25.48,;29.56,-25.97,;28.22,-25.21,;28.22,-23.67,;26.88,-22.91,;25.55,-23.68,;25.39,-25.22,;23.89,-25.55,;23.11,-24.22,;24.13,-23.07,;21.57,-24.22,;20.81,-25.56,;19.28,-25.56,;18.5,-24.23,;19.26,-22.89,;18.49,-21.56,;20.8,-22.89,;26.89,-25.98,;26.9,-27.52,;25.57,-28.3,;25.58,-29.84,;26.91,-30.6,;26.91,-32.14,;25.57,-32.92,;25.57,-34.46,;24.24,-32.15,;24.24,-30.61,;28.24,-28.29,;29.57,-27.5,)|

BDBM50378300

CC(C)n1cnc2c(NCc3ccc(cc3)-c3ccccn3)nc(N[C@H]3CC[C@H](N)CC3)nc12 |r,wU:25.26,wD:28.30,(30.73,-2.5,;31.76,-1.35,;33.26,-1.65,;31.27,.11,;32.16,1.36,;31.25,2.6,;29.79,2.11,;28.46,2.87,;28.45,4.41,;27.11,5.17,;25.78,4.4,;25.79,2.85,;24.46,2.08,;23.12,2.85,;23.11,4.38,;24.44,5.16,;21.79,2.08,;21.8,.53,;20.46,-.25,;19.13,.52,;19.13,2.07,;20.46,2.84,;27.12,2.09,;27.13,.56,;25.8,-.22,;25.81,-1.76,;27.14,-2.52,;27.14,-4.07,;25.81,-4.84,;25.81,-6.38,;24.47,-4.07,;24.47,-2.53,;28.47,-.21,;29.8,.58,)|

BDBM50378301

COc1cccc(c1)-c1ccc(CNc2nc(N[C@H]3CC[C@H](N)CC3)nc3n(cnc23)C(C)C)s1 |r,wU:18.18,wD:21.22,(17.8,-37.74,;17.03,-39.08,;17.81,-40.41,;17.05,-41.74,;17.82,-43.08,;19.35,-43.07,;20.12,-41.74,;19.34,-40.4,;21.66,-41.73,;22.43,-43.06,;23.94,-42.74,;24.09,-41.2,;25.42,-40.42,;26.76,-41.18,;26.77,-42.72,;25.44,-43.5,;25.44,-45.04,;24.11,-45.81,;24.12,-47.35,;25.45,-48.11,;25.45,-49.66,;24.12,-50.43,;24.12,-51.97,;22.78,-49.66,;22.78,-48.13,;26.78,-45.8,;28.12,-45.02,;29.58,-45.48,;30.47,-44.23,;29.56,-42.99,;28.1,-43.48,;30.07,-46.94,;29.05,-48.09,;31.58,-47.25,;22.68,-40.58,)|

BDBM50378302

CC(C)n1cnc2c(NCc3ccc(s3)-c3ccco3)nc(N[C@H]3CC[C@H](N)CC3)nc12 |r,wU:23.24,wD:26.28,(22.14,-3.25,;23.16,-2.1,;24.67,-2.41,;22.68,-.64,;23.57,.61,;22.65,1.84,;21.2,1.36,;19.86,2.11,;19.86,3.66,;18.52,4.42,;17.19,3.64,;17.03,2.1,;15.53,1.77,;14.75,3.1,;15.77,4.25,;13.21,3.1,;12.31,1.86,;10.84,2.34,;10.84,3.88,;12.31,4.36,;18.53,1.34,;18.54,-.2,;17.21,-.97,;17.22,-2.51,;18.55,-3.28,;18.55,-4.82,;17.21,-5.59,;17.21,-7.13,;15.88,-4.82,;15.88,-3.29,;19.88,-.96,;21.21,-.18,)|

BDBM50378303

CC(C)n1cnc2c(NCc3ccc(s3)-c3cccnc3)nc(N[C@H]3CC[C@H](N)CC3)nc12 |r,wU:24.25,wD:27.29,(23.68,-16.97,;24.7,-15.81,;26.21,-16.12,;24.21,-14.35,;25.11,-13.1,;24.19,-11.87,;22.74,-12.35,;21.4,-11.6,;21.39,-10.06,;20.06,-9.29,;18.73,-10.07,;18.57,-11.61,;17.07,-11.94,;16.29,-10.61,;17.31,-9.46,;14.75,-10.61,;13.98,-11.94,;12.46,-11.95,;11.68,-10.61,;12.44,-9.28,;13.98,-9.28,;20.07,-12.37,;20.08,-13.91,;18.75,-14.69,;18.75,-16.23,;20.08,-16.99,;20.09,-18.53,;18.75,-19.31,;18.75,-20.85,;17.42,-18.53,;17.41,-17,;21.42,-14.68,;22.75,-13.89,)|

BDBM50378307

CC(C)n1cnc2c(NCc3coc(c3)-c3ccccc3)nc(N[C@H]3CC[C@H](N)CC3)nc12 |r,wU:24.25,wD:27.29,(-.19,-30.09,;.83,-28.94,;2.34,-29.25,;.34,-27.48,;1.24,-26.23,;.32,-25,;-1.13,-25.48,;-2.47,-24.73,;-2.48,-23.19,;-3.81,-22.42,;-5.14,-23.2,;-6.55,-22.59,;-7.57,-23.74,;-6.8,-25.07,;-5.29,-24.74,;-7.55,-26.41,;-9.09,-26.42,;-9.84,-27.76,;-9.06,-29.09,;-7.51,-29.07,;-6.76,-27.72,;-3.8,-25.5,;-3.79,-27.04,;-5.12,-27.82,;-5.12,-29.36,;-3.79,-30.12,;-3.78,-31.66,;-5.12,-32.43,;-5.12,-33.97,;-6.45,-31.66,;-6.46,-30.13,;-2.45,-27.8,;-1.12,-27.02,)|

BDBM50378308

CC(C)n1cnc2c(NCc3ccc(cc3)-c3ccsc3)nc(N[C@H]3CC[C@H](N)CC3)nc12 |r,wU:24.25,wD:27.29,(.23,-29.29,;1.25,-28.14,;2.76,-28.45,;.76,-26.68,;1.66,-25.43,;.74,-24.2,;-.71,-24.68,;-2.05,-23.93,;-2.06,-22.39,;-3.39,-21.62,;-4.72,-22.4,;-4.72,-23.94,;-6.05,-24.71,;-7.38,-23.95,;-7.39,-22.41,;-6.07,-21.63,;-8.71,-24.73,;-8.87,-26.26,;-10.37,-26.58,;-11.15,-25.25,;-10.12,-24.11,;-3.38,-24.7,;-3.37,-26.24,;-4.7,-27.01,;-4.7,-28.55,;-3.37,-29.31,;-3.36,-30.86,;-4.7,-31.63,;-4.7,-33.17,;-6.03,-30.86,;-6.04,-29.33,;-2.03,-27,;-.7,-26.22,)|

BDBM50378309

CC(C)n1cnc2c(NCc3ccc(cc3)-n3cccc3)nc(N[C@H]3CC[C@H](N)CC3)nc12 |r,wU:24.25,wD:27.29,(.7,-44.37,;1.73,-43.22,;3.23,-43.53,;1.24,-41.76,;2.13,-40.51,;1.22,-39.28,;-.24,-39.76,;-1.57,-39.01,;-1.58,-37.47,;-2.92,-36.7,;-4.25,-37.48,;-4.24,-39.02,;-5.57,-39.8,;-6.91,-39.03,;-6.92,-37.49,;-5.59,-36.72,;-8.24,-39.81,;-9.65,-39.19,;-10.67,-40.33,;-9.9,-41.67,;-8.39,-41.34,;-2.91,-39.78,;-2.9,-41.32,;-4.23,-42.1,;-4.22,-43.64,;-2.89,-44.4,;-2.89,-45.94,;-4.22,-46.71,;-4.22,-48.25,;-5.56,-45.94,;-5.56,-44.41,;-1.56,-42.08,;-.23,-41.3,)|

BDBM50378310

CC(C)n1cnc2c(NCc3ccc(cc3)-c3cc(C)cs3)nc(N[C@H]3CC[C@H](N)CC3)nc12 |r,wU:25.26,wD:28.30,(14.74,-43.79,;15.76,-42.64,;17.27,-42.95,;15.27,-41.18,;16.16,-39.93,;15.25,-38.69,;13.79,-39.18,;12.46,-38.42,;12.45,-36.88,;11.11,-36.12,;9.78,-36.9,;9.79,-38.44,;8.46,-39.21,;7.12,-38.44,;7.11,-36.91,;8.44,-36.13,;5.79,-39.22,;5.64,-40.76,;4.13,-41.08,;3.51,-42.49,;3.36,-39.75,;4.38,-38.6,;11.13,-39.2,;11.13,-40.74,;9.8,-41.51,;9.81,-43.05,;11.14,-43.81,;11.14,-45.36,;9.81,-46.13,;9.81,-47.67,;8.47,-45.36,;8.47,-43.83,;12.47,-41.5,;13.8,-40.72,)|

BDBM50378311

CC(C)n1cnc2c(NCc3ccc(cc3)-c3ccc(C)s3)nc(N[C@H]3CC[C@H](N)CC3)nc12 |r,wU:25.26,wD:28.30,(30.18,-42.63,;31.2,-41.48,;32.71,-41.79,;30.72,-40.02,;31.61,-38.77,;30.7,-37.53,;29.24,-38.02,;27.9,-37.26,;27.9,-35.72,;26.56,-34.96,;25.23,-35.74,;25.23,-37.28,;23.9,-38.05,;22.57,-37.28,;22.56,-35.75,;23.88,-34.97,;21.24,-38.06,;21.08,-39.6,;19.58,-39.92,;18.8,-38.59,;17.27,-38.44,;19.83,-37.44,;26.57,-38.04,;26.58,-39.58,;25.25,-40.35,;25.26,-41.89,;26.59,-42.65,;26.59,-44.2,;25.25,-44.97,;25.26,-46.51,;23.92,-44.2,;23.92,-42.67,;27.92,-40.34,;29.25,-39.56,)|

BDBM50378312

CC(C)n1cnc2c(NCc3ccc(s3)-c3cccc(C)c3)nc(N[C@H]3CC[C@H](N)CC3)nc12 |r,wU:25.26,wD:28.30,(15.41,-48.44,;16.43,-47.29,;17.94,-47.6,;15.95,-45.83,;16.84,-44.58,;15.93,-43.34,;14.47,-43.83,;13.13,-43.07,;13.13,-41.53,;11.79,-40.77,;10.46,-41.55,;10.3,-43.09,;8.8,-43.41,;8.02,-42.08,;9.05,-40.93,;6.48,-42.09,;5.72,-43.42,;4.19,-43.43,;3.42,-42.09,;4.17,-40.76,;3.4,-39.43,;5.71,-40.75,;11.8,-43.85,;11.81,-45.39,;10.48,-46.16,;10.49,-47.7,;11.82,-48.46,;11.82,-50.01,;10.48,-50.78,;10.49,-52.32,;9.15,-50.01,;9.15,-48.48,;13.15,-46.15,;14.48,-45.37,)|

BDBM50378313

CC(C)n1cnc2c(NCc3ccc(s3)-c3ccsc3)nc(N[C@H]3CC[C@H](N)CC3)nc12 |r,wU:23.24,wD:26.28,(1.56,-4.19,;2.58,-3.03,;4.09,-3.34,;2.09,-1.57,;2.99,-.32,;2.07,.91,;.62,.42,;-.72,1.18,;-.73,2.72,;-2.06,3.48,;-3.39,2.71,;-3.55,1.17,;-5.05,.84,;-5.83,2.17,;-4.81,3.32,;-7.37,2.17,;-8.27,.93,;-9.74,1.4,;-9.74,2.94,;-8.28,3.42,;-2.05,.41,;-2.04,-1.13,;-3.37,-1.91,;-3.37,-3.45,;-2.04,-4.21,;-2.03,-5.75,;-3.37,-6.53,;-3.37,-8.07,;-4.7,-5.76,;-4.71,-4.22,;-.7,-1.9,;.63,-1.11,)|

BDBM50378314

CC(C)n1cnc2c(NCc3ccc(s3)-c3ccoc3)nc(N[C@H]3CC[C@H](N)CC3)nc12 |r,wU:23.24,wD:26.28,(3.43,-18.99,;4.46,-17.84,;5.96,-18.14,;3.97,-16.37,;4.86,-15.12,;3.95,-13.89,;2.49,-14.38,;1.16,-13.62,;1.15,-12.08,;-.19,-11.32,;-1.52,-12.09,;-1.68,-13.63,;-3.18,-13.96,;-3.96,-12.63,;-2.93,-11.48,;-5.5,-12.63,;-6.4,-13.87,;-7.86,-13.4,;-7.86,-11.86,;-6.4,-11.38,;-.18,-14.39,;-.17,-15.93,;-1.5,-16.71,;-1.49,-18.25,;-.16,-19.01,;-.16,-20.55,;-1.49,-21.33,;-1.49,-22.87,;-2.83,-20.56,;-2.83,-19.02,;1.17,-16.7,;2.5,-15.91,)|

BDBM50378315

CC(C)n1cnc2c(NCc3ccc(cc3)-c3ccc(Cl)s3)nc(N[C@H]3CC[C@H](N)CC3)nc12 |r,wU:25.26,wD:28.30,(31.05,-15.64,;32.07,-14.49,;33.58,-14.8,;31.59,-13.03,;32.48,-11.78,;31.57,-10.55,;30.11,-11.03,;28.78,-10.28,;28.77,-8.74,;27.43,-7.97,;26.1,-8.75,;26.11,-10.29,;24.78,-11.06,;23.44,-10.3,;23.43,-8.76,;24.75,-7.98,;22.11,-11.08,;21.95,-12.61,;20.45,-12.93,;19.67,-11.6,;18.14,-11.45,;20.7,-10.46,;27.44,-11.05,;27.45,-12.59,;26.12,-13.36,;26.13,-14.9,;27.46,-15.66,;27.46,-17.21,;26.12,-17.98,;26.13,-19.52,;24.79,-17.21,;24.79,-15.68,;28.79,-13.35,;30.12,-12.57,)|

BDBM50378316

CC(C)n1cnc2c(NCc3ccc(s3)-c3ccc(F)cc3)nc(N[C@H]3CC[C@H](N)CC3)nc12 |r,wU:25.26,wD:28.30,(1.15,-48.84,;2.17,-47.69,;3.68,-47.99,;1.68,-46.23,;2.57,-44.98,;1.66,-43.74,;.2,-44.23,;-1.13,-43.47,;-1.14,-41.93,;-2.48,-41.17,;-3.8,-41.94,;-3.96,-43.48,;-5.47,-43.81,;-6.24,-42.48,;-5.22,-41.33,;-7.78,-42.48,;-8.56,-41.15,;-10.09,-41.15,;-10.85,-42.49,;-12.39,-42.49,;-10.08,-43.82,;-8.55,-43.82,;-2.46,-44.25,;-2.45,-45.78,;-3.78,-46.56,;-3.78,-48.1,;-2.45,-48.86,;-2.45,-50.41,;-3.78,-51.18,;-3.78,-52.72,;-5.11,-50.41,;-5.12,-48.87,;-1.12,-46.55,;.22,-45.76,)|

BDBM50378317

CC(C)n1cnc2c(NCc3ccc(cn3)-c3ccccc3)nc(N[C@H]3CC[C@H](N)CC3)nc12 |r,wU:25.26,wD:28.30,(15.3,-1.19,;16.32,-.04,;17.83,-.35,;15.84,1.42,;16.73,2.67,;15.82,3.91,;14.36,3.42,;13.03,4.18,;13.02,5.72,;11.68,6.48,;10.35,5.7,;10.36,4.16,;9.03,3.39,;7.69,4.16,;7.68,5.69,;9,6.47,;6.36,3.38,;5.02,4.15,;3.69,3.37,;3.7,1.83,;5.04,1.07,;6.37,1.84,;11.69,3.4,;11.7,1.86,;10.37,1.09,;10.38,-.45,;11.71,-1.21,;11.71,-2.76,;10.37,-3.53,;10.38,-5.07,;9.04,-2.76,;9.04,-1.23,;13.04,1.1,;14.37,1.88,)|

BDBM50378318

CC(C)n1cnc2c(NCc3csc(n3)-c3ccccc3)nc(N[C@H]3CC[C@H](N)CC3)nc12 |r,wU:24.25,wD:27.29,(14.52,-15.85,;15.54,-14.7,;17.05,-15.01,;15.05,-13.24,;15.94,-11.99,;15.03,-10.76,;13.57,-11.24,;12.24,-10.49,;12.23,-8.95,;10.89,-8.18,;9.57,-8.96,;8.16,-8.35,;7.13,-9.5,;7.91,-10.83,;9.42,-10.5,;7.16,-12.16,;5.62,-12.18,;4.86,-13.52,;5.65,-14.85,;7.2,-14.82,;7.95,-13.48,;10.91,-11.26,;10.92,-12.8,;9.59,-13.57,;9.59,-15.11,;10.92,-15.87,;10.92,-17.42,;9.59,-18.19,;9.59,-19.73,;8.26,-17.42,;8.25,-15.89,;12.25,-13.56,;13.59,-12.78,)|

BDBM50378306

CC(C)n1cnc2c(NCc3ccc(cc3)-n3cccn3)nc(N[C@H]3CC[C@H](N)CC3)nc12 |r,wU:24.25,wD:27.29,(29.19,-28.97,;30.21,-27.82,;31.72,-28.13,;29.72,-26.36,;30.61,-25.11,;29.7,-23.88,;28.24,-24.36,;26.91,-23.61,;26.9,-22.07,;25.56,-21.3,;24.23,-22.08,;24.24,-23.62,;22.91,-24.4,;21.57,-23.63,;21.56,-22.09,;22.89,-21.32,;20.24,-24.41,;20.09,-25.94,;18.58,-26.27,;17.81,-24.93,;18.83,-23.79,;25.58,-24.38,;25.58,-25.92,;24.25,-26.7,;24.26,-28.24,;25.59,-29,;25.59,-30.54,;24.26,-31.31,;24.26,-32.85,;22.92,-30.54,;22.92,-29.01,;26.92,-26.68,;28.26,-25.9,)|

BDBM50338873

COc1ccc(Cn2ncc(NC(=O)c3cc(NC(=O)Nc4ccc(Cl)c(c4)C(F)(F)F)ccc3C)c2N)cc1

BDBM50395893

Oc1ccc2oc3ncc(OCc4ccccc4)c(-c4ccccc4)c3c2c1

BDBM50395889

COc1ccc2oc3ncc(O)c(-c4ccccc4)c3c2c1

BDBM7453

COc1cnc2oc3ccc(O)cc3c2c1-c1ccccc1

BDBM50395890

COc1ccc2oc3ncc(OCc4ccccc4)c(-c4ccccc4)c3c2c1

BDBM50395891

COc1ccc2oc3ncc(OC)c(-c4ccccc4)c3c2c1

BDBM50395892

Oc1ccc2oc3ncc(O)c(-c4ccccc4)c3c2c1