SMILES for Poly [ADP-ribose] polymerase tankyrase-2

CCOc1ccc(nc1)-c1nnc([C@H]2C[C@@H](C2)NC(=O)c2cccc3ncc(O)nc23)n1-c1ccccc1F |r,wU:15.18,wD:13.13,(-9.9,.68,;-10.28,-.82,;-9,-1.68,;-7.75,-.77,;-6.35,-1.4,;-5.1,-.5,;-5.26,1.04,;-6.67,1.66,;-7.92,.76,;-4.02,1.94,;-4.02,3.48,;-2.55,3.96,;-1.65,2.71,;-.11,2.71,;.98,1.62,;2.07,2.71,;.98,3.8,;3.61,2.71,;4.38,1.38,;3.61,.04,;5.92,1.38,;6.69,2.71,;8.23,2.71,;9,1.38,;8.23,.04,;9,-1.29,;8.23,-2.62,;6.69,-2.62,;5.92,-3.96,;5.92,-1.29,;6.69,.04,;-2.55,1.47,;-2.08,0,;-3.11,-1.14,;-2.63,-2.61,;-1.12,-2.93,;-.09,-1.78,;-.57,-.32,;.46,.83,)|

BDBM624852

CCOc1ccc(nc1)-c1nnc([C@H]2C[C@@H](C2)NC(=O)c2cccc3nc(O)cnc23)n1-c1ccccc1F |r,wU:15.18,wD:13.13,(-9.9,.68,;-10.28,-.82,;-9,-1.68,;-7.75,-.77,;-6.35,-1.4,;-5.1,-.5,;-5.26,1.04,;-6.67,1.66,;-7.92,.76,;-4.02,1.94,;-4.02,3.48,;-2.55,3.96,;-1.65,2.71,;-.11,2.71,;.98,1.62,;2.07,2.71,;.98,3.8,;3.61,2.71,;4.38,1.38,;3.61,.04,;5.92,1.38,;6.69,2.71,;8.23,2.71,;9,1.38,;8.23,.04,;9,-1.29,;8.23,-2.62,;9,-3.96,;6.69,-2.62,;5.92,-1.29,;6.69,.04,;-2.55,1.47,;-2.08,0,;-3.11,-1.14,;-2.63,-2.61,;-1.12,-2.93,;-.09,-1.78,;-.57,-.32,;.46,.83,)|

BDBM624856

CCOc1ccc(nc1)-c1nnc([C@H]2C[C@@H](C2)NC(=O)c2cccc3nc(O)c(O)nc23)n1-c1ccccc1F |r,wU:15.18,wD:13.13,(-9.9,.68,;-10.28,-.82,;-9,-1.68,;-7.75,-.77,;-6.35,-1.4,;-5.1,-.5,;-5.26,1.04,;-6.67,1.66,;-7.92,.76,;-4.02,1.94,;-4.02,3.48,;-2.55,3.96,;-1.65,2.71,;-.11,2.71,;.98,1.62,;2.07,2.71,;.98,3.8,;3.61,2.71,;4.38,1.38,;3.61,.04,;5.92,1.38,;6.69,2.71,;8.23,2.71,;9,1.38,;8.23,.04,;9,-1.29,;8.23,-2.62,;9,-3.96,;6.69,-2.62,;5.92,-3.96,;5.92,-1.29,;6.69,.04,;-2.55,1.47,;-2.08,0,;-3.11,-1.14,;-2.63,-2.61,;-1.12,-2.93,;-.09,-1.78,;-.57,-.32,;.46,.83,)|

BDBM624857

CCOc1ccc(nc1)-c1nnc([C@H]2C[C@@H](C2)NC(=O)c2cccc3[n+]([O-])ccnc23)n1-c1ccccc1F |r,wU:15.18,wD:13.13,(-10.68,.16,;-11.05,-1.33,;-9.77,-2.19,;-8.52,-1.29,;-7.12,-1.92,;-5.87,-1.01,;-6.03,.52,;-7.44,1.15,;-8.69,.24,;-4.79,1.43,;-4.79,2.97,;-3.32,3.44,;-2.42,2.2,;-.88,2.2,;.21,1.11,;1.3,2.2,;.21,3.29,;2.84,2.2,;3.61,.86,;2.84,-.47,;5.15,.86,;5.92,2.2,;7.46,2.2,;8.23,.86,;7.46,-.47,;8.23,-1.8,;9.77,-1.8,;7.46,-3.14,;5.92,-3.14,;5.15,-1.8,;5.92,-.47,;-3.32,.95,;-2.85,-.51,;-3.88,-1.66,;-3.4,-3.12,;-1.89,-3.44,;-.86,-2.3,;-1.34,-.83,;-.31,.31,)|

BDBM624858

CCOc1ccc(-c2nnc([C@H]3C[C@@H](C3)NC(=O)c3cccc4nccnc34)n2-c2ccccc2F)[n+]([O-])c1 |r,wU:13.15,wD:11.10,(-11.65,-2.47,;-10.41,-1.57,;-9,-2.19,;-7.75,-1.29,;-6.35,-1.92,;-5.1,-1.01,;-5.26,.52,;-4.02,1.43,;-4.02,2.97,;-2.55,3.44,;-1.65,2.2,;-.11,2.2,;.98,1.11,;2.07,2.2,;.98,3.29,;3.61,2.2,;4.38,.86,;3.61,-.47,;5.92,.86,;6.69,2.2,;8.23,2.2,;9,.86,;8.23,-.47,;9,-1.8,;8.23,-3.14,;6.69,-3.14,;5.92,-1.8,;6.69,-.47,;-2.55,.95,;-2.08,-.51,;-3.11,-1.66,;-2.63,-3.12,;-1.12,-3.44,;-.09,-2.3,;-.57,-.83,;.46,.31,;-6.67,1.15,;-6.83,2.68,;-7.92,.24,)|

BDBM50579974

CCOc1ccc(nc1)-c1nnc([C@H]2C[C@@H](C2)NC(=O)c2cccc3nccnc23)n1-c1ccccc1F |r,wU:15.18,wD:13.13,(1.18,-57.78,;2.08,-56.54,;3.59,-56.7,;4.49,-55.47,;6.01,-55.63,;6.9,-54.39,;6.29,-53.01,;4.77,-52.84,;3.87,-54.07,;7.18,-51.78,;6.71,-50.31,;7.95,-49.39,;9.21,-50.31,;10.68,-49.82,;12.05,-50.53,;12.76,-49.16,;11.38,-48.45,;14.23,-48.68,;14.56,-47.17,;13.41,-46.13,;16.03,-46.68,;16.34,-45.17,;17.81,-44.69,;18.97,-45.72,;18.65,-47.24,;19.79,-48.27,;19.48,-49.77,;18,-50.26,;16.86,-49.22,;17.18,-47.72,;8.73,-51.78,;9.63,-53.02,;9,-54.41,;9.9,-55.64,;11.41,-55.48,;12.03,-54.08,;11.13,-52.85,;11.75,-51.45,)|

BDBM624860

CCOc1ccc(nc1)-c1nnc([C@H]2C[C@@H](C2)NC(=O)c2cccc(N)n2)n1-c1ccccc1F |r,wU:15.18,wD:13.13,(-9.53,-4.06,;-8.31,-3.11,;-8.47,-1.58,;-7.23,-.68,;-5.82,-1.3,;-4.57,-.4,;-4.73,1.13,;-6.14,1.76,;-7.39,.86,;-3.49,2.04,;-3.49,3.58,;-2.02,4.06,;-1.12,2.81,;.42,2.81,;1.51,1.72,;2.6,2.81,;1.51,3.9,;4.14,2.81,;4.91,1.48,;4.14,.14,;6.45,1.48,;7.22,2.81,;8.76,2.81,;9.53,1.48,;8.76,.14,;9.53,-1.19,;7.22,.14,;-2.02,1.56,;-1.55,.1,;-2.58,-1.05,;-2.1,-2.51,;-.6,-2.83,;.43,-1.69,;-.04,-.22,;.99,.92,)|

BDBM624861

CCOc1ccc(nc1)-c1nnc([C@H]2C[C@@H](C2)NC(=O)c2ccc3cccc(O)c3n2)n1-c1ccccc1F |r,wU:15.18,wD:13.13,(-10.68,-4.06,;-9.47,-3.11,;-9.63,-1.58,;-8.38,-.68,;-6.97,-1.3,;-5.73,-.4,;-5.89,1.13,;-7.3,1.76,;-8.54,.86,;-4.64,2.04,;-4.64,3.58,;-3.18,4.06,;-2.27,2.81,;-.73,2.81,;.36,1.72,;1.44,2.81,;.36,3.9,;2.98,2.81,;3.75,1.48,;2.98,.14,;5.29,1.48,;6.06,2.81,;7.6,2.81,;8.37,1.48,;9.91,1.48,;10.68,.14,;9.91,-1.19,;8.37,-1.19,;7.6,-2.53,;7.6,.14,;6.06,.14,;-3.18,1.56,;-2.7,.1,;-3.73,-1.05,;-3.26,-2.51,;-1.75,-2.83,;-.72,-1.69,;-1.2,-.22,;-.17,.92,)|

BDBM624862

CCOc1ccc(nc1)-c1nnc([C@H]2C[C@@H](C2)NC(=O)c2cccc3c(ccnc23)N(C)C)n1-c1ccccc1F |r,wU:15.18,wD:13.13,(-10.68,-4.06,;-9.47,-3.11,;-9.63,-1.58,;-8.38,-.68,;-6.97,-1.3,;-5.73,-.4,;-5.89,1.13,;-7.3,1.76,;-8.54,.86,;-4.64,2.04,;-4.64,3.58,;-3.18,4.06,;-2.27,2.81,;-.73,2.81,;.36,1.72,;1.44,2.81,;.36,3.9,;2.98,2.81,;3.75,1.48,;2.98,.14,;5.29,1.48,;6.06,2.81,;7.6,2.81,;8.37,1.48,;7.6,.14,;8.37,-1.19,;7.6,-2.53,;6.06,-2.53,;5.29,-1.19,;6.06,.14,;9.91,-1.19,;10.68,.14,;10.68,-2.53,;-3.18,1.56,;-2.7,.1,;-3.73,-1.05,;-3.26,-2.51,;-1.75,-2.83,;-.72,-1.69,;-1.2,-.22,;-.17,.92,)|

BDBM624865

CCOc1ccc(nc1)-c1nnc([C@H]2C[C@@H](C2)NC(=O)c2cccc3cc(O)cnc23)n1-c1ccccc1F |r,wU:15.18,wD:13.13,(-9.9,.68,;-10.28,-.82,;-9,-1.68,;-7.75,-.77,;-6.35,-1.4,;-5.1,-.5,;-5.26,1.04,;-6.67,1.66,;-7.92,.76,;-4.02,1.94,;-4.02,3.48,;-2.55,3.96,;-1.65,2.71,;-.11,2.71,;.98,1.62,;2.07,2.71,;.98,3.8,;3.61,2.71,;4.38,1.38,;3.61,.04,;5.92,1.38,;6.69,2.71,;8.23,2.71,;9,1.38,;8.23,.04,;9,-1.29,;8.23,-2.62,;9,-3.96,;6.69,-2.62,;5.92,-1.29,;6.69,.04,;-2.55,1.47,;-2.08,0,;-3.11,-1.14,;-2.63,-2.61,;-1.12,-2.93,;-.09,-1.78,;-.57,-.32,;.46,.83,)|

BDBM624866

CCOc1ccc(nc1)-c1nnc([C@H]2C[C@@H](C2)NC(=O)c2cccc3[nH+]c(C)c(C)nc23)n1-c1ccccc1F |r,wU:15.18,wD:13.13,(-10.3,-4.06,;-9.08,-3.11,;-9.24,-1.58,;-8,-.68,;-6.59,-1.3,;-5.34,-.4,;-5.5,1.13,;-6.91,1.76,;-8.16,.86,;-4.26,2.04,;-4.26,3.58,;-2.79,4.06,;-1.89,2.81,;-.35,2.81,;.74,1.72,;1.83,2.81,;.74,3.9,;3.37,2.81,;4.14,1.48,;3.37,.14,;5.68,1.48,;6.45,2.81,;7.99,2.81,;8.76,1.48,;7.99,.14,;8.76,-1.19,;7.99,-2.53,;8.76,-3.86,;6.45,-2.53,;5.68,-3.86,;5.68,-1.19,;6.45,.14,;-2.79,1.56,;-2.32,.1,;-3.35,-1.05,;-2.87,-2.51,;-1.37,-2.83,;-.34,-1.69,;-.81,-.22,;.22,.92,)|

BDBM624867

CCOc1ccc(nc1)-c1nnc([C@H]2C[C@@H](C2)NC(=O)c2cccc3[nH+]cccc23)n1-c1ccccc1F |r,wU:15.18,wD:13.13,(-10.3,-4.06,;-9.08,-3.11,;-9.24,-1.58,;-8,-.68,;-6.59,-1.3,;-5.34,-.4,;-5.5,1.13,;-6.91,1.76,;-8.16,.86,;-4.26,2.04,;-4.26,3.58,;-2.79,4.06,;-1.89,2.81,;-.35,2.81,;.74,1.72,;1.83,2.81,;.74,3.9,;3.37,2.81,;4.14,1.48,;3.37,.14,;5.68,1.48,;6.45,2.81,;7.99,2.81,;8.76,1.48,;7.99,.14,;8.76,-1.19,;7.99,-2.53,;6.45,-2.53,;5.68,-1.19,;6.45,.14,;-2.79,1.56,;-2.32,.1,;-3.35,-1.05,;-2.87,-2.51,;-1.37,-2.83,;-.34,-1.69,;-.81,-.22,;.22,.92,)|

BDBM624869

CCOc1ccc(nc1)-c1nnc([C@H]2C[C@@H](C2)NC(=O)c2cc[nH+]c3cccnc23)n1-c1ccccc1F |r,wU:15.18,wD:13.13,(-10.3,-4.06,;-9.08,-3.11,;-9.24,-1.58,;-8,-.68,;-6.59,-1.3,;-5.34,-.4,;-5.5,1.13,;-6.91,1.76,;-8.16,.86,;-4.26,2.04,;-4.26,3.58,;-2.79,4.06,;-1.89,2.81,;-.35,2.81,;.74,1.72,;1.83,2.81,;.74,3.9,;3.37,2.81,;4.14,1.48,;3.37,.14,;5.68,1.48,;6.45,2.81,;7.99,2.81,;8.76,1.48,;7.99,.14,;8.76,-1.19,;7.99,-2.53,;6.45,-2.53,;5.68,-1.19,;6.45,.14,;-2.79,1.56,;-2.32,.1,;-3.35,-1.05,;-2.87,-2.51,;-1.37,-2.83,;-.34,-1.69,;-.81,-.22,;.22,.92,)|

BDBM624872

CCOc1ccc(nc1)-c1nnc([C@H]2C[C@@H](C2)NC(=O)c2cc[nH+]c3cc(O)cnc23)n1-c1ccccc1F |r,wU:15.18,wD:13.13,(-10.3,-4.06,;-9.08,-3.11,;-9.24,-1.58,;-8,-.68,;-6.59,-1.3,;-5.34,-.4,;-5.5,1.13,;-6.91,1.76,;-8.16,.86,;-4.26,2.04,;-4.26,3.58,;-2.79,4.06,;-1.89,2.81,;-.35,2.81,;.74,1.72,;1.83,2.81,;.74,3.9,;3.37,2.81,;4.14,1.48,;3.37,.14,;5.68,1.48,;6.45,2.81,;7.99,2.81,;8.76,1.48,;7.99,.14,;8.76,-1.19,;7.99,-2.53,;8.76,-3.86,;6.45,-2.53,;5.68,-1.19,;6.45,.14,;-2.79,1.56,;-2.32,.1,;-3.35,-1.05,;-2.87,-2.51,;-1.37,-2.83,;-.34,-1.69,;-.81,-.22,;.22,.92,)|

BDBM624875

CCOc1ccc(nc1)-c1nnc([C@H]2C[C@@H](C2)NC(=O)c2cc[nH+]c3cc(OC)cnc23)n1-c1ccccc1F |r,wU:15.18,wD:13.13,(-10.3,-4.06,;-9.08,-3.11,;-9.24,-1.58,;-8,-.68,;-6.59,-1.3,;-5.34,-.4,;-5.5,1.13,;-6.91,1.76,;-8.16,.86,;-4.26,2.04,;-4.26,3.58,;-2.79,4.06,;-1.89,2.81,;-.35,2.81,;.74,1.72,;1.83,2.81,;.74,3.9,;3.37,2.81,;4.14,1.48,;3.37,.14,;5.68,1.48,;6.45,2.81,;7.99,2.81,;8.76,1.48,;7.99,.14,;8.76,-1.19,;7.99,-2.53,;8.76,-3.86,;10.3,-3.86,;6.45,-2.53,;5.68,-1.19,;6.45,.14,;-2.79,1.56,;-2.32,.1,;-3.35,-1.05,;-2.87,-2.51,;-1.37,-2.83,;-.34,-1.69,;-.81,-.22,;.22,.92,)|

BDBM624876

CCOc1ccc(nc1)-c1nnc([C@H]2C[C@@H](C2)NC(=O)c2cc[nH+]c3cc(F)cnc23)n1-c1ccccc1F |r,wU:15.18,wD:13.13,(-10.3,-4.06,;-9.08,-3.11,;-9.24,-1.58,;-8,-.68,;-6.59,-1.3,;-5.34,-.4,;-5.5,1.13,;-6.91,1.76,;-8.16,.86,;-4.26,2.04,;-4.26,3.58,;-2.79,4.06,;-1.89,2.81,;-.35,2.81,;.74,1.72,;1.83,2.81,;.74,3.9,;3.37,2.81,;4.14,1.48,;3.37,.14,;5.68,1.48,;6.45,2.81,;7.99,2.81,;8.76,1.48,;7.99,.14,;8.76,-1.19,;7.99,-2.53,;8.76,-3.86,;6.45,-2.53,;5.68,-1.19,;6.45,.14,;-2.79,1.56,;-2.32,.1,;-3.35,-1.05,;-2.87,-2.51,;-1.37,-2.83,;-.34,-1.69,;-.81,-.22,;.22,.92,)|

BDBM657024

Clc1ccccc1-n1c(nnc1-c1ccncn1)[C@H]1C[C@@H](C1)NC(=O)c1cccc2cccnc12 |r,wU:20.25,wD:18.20,(-.05,-.41,;-1.09,-1.55,;-.58,-3,;-1.58,-4.17,;-3.09,-3.89,;-3.61,-2.44,;-2.61,-1.27,;-3.09,.19,;-2.19,1.44,;-3.09,2.68,;-4.56,2.21,;-4.56,.67,;-5.8,-.24,;-5.64,-1.77,;-6.88,-2.68,;-8.29,-2.06,;-8.45,-.52,;-7.21,.38,;-.65,1.44,;.49,.4,;1.53,1.54,;.39,2.58,;3.07,1.5,;3.83,2.84,;3.05,4.16,;5.37,2.84,;6.14,4.17,;7.68,4.17,;8.45,2.84,;7.68,1.5,;8.45,.17,;7.68,-1.16,;6.14,-1.16,;5.37,.17,;6.14,1.5,)|

BDBM50541717

Clc1ccccc1-n1c(nnc1-c1ccncn1)[C@H]1C[C@@H](C1)NC(=O)c1ccnc2cccnc12 |r,wU:20.25,wD:18.20,(11.34,-6.67,;10,-7.45,;10,-8.99,;8.66,-9.76,;7.32,-8.99,;7.32,-7.45,;8.66,-6.68,;8.66,-5.14,;9.91,-4.23,;9.44,-2.76,;7.89,-2.76,;7.41,-4.23,;5.95,-4.71,;5.63,-6.21,;4.17,-6.69,;3.01,-5.66,;3.34,-4.15,;4.81,-3.67,;11.38,-4.71,;12.08,-6.09,;13.45,-5.38,;12.76,-4.01,;14.92,-5.87,;16.07,-4.84,;15.75,-3.34,;17.53,-5.32,;18.66,-4.3,;20.12,-4.77,;20.44,-6.28,;19.29,-7.3,;19.6,-8.79,;18.47,-9.81,;17.01,-9.34,;16.7,-7.84,;17.84,-6.82,)|

BDBM657026

Clc1ccccc1-n1c(nnc1-c1ccncn1)[C@H]1C[C@@H](C1)NC(=O)c1ccnc2ccccc12 |r,wU:20.25,wD:18.20,(-.05,-.41,;-1.09,-1.55,;-.58,-3,;-1.58,-4.17,;-3.09,-3.89,;-3.61,-2.44,;-2.61,-1.27,;-3.09,.19,;-2.19,1.44,;-3.09,2.68,;-4.56,2.21,;-4.56,.67,;-5.8,-.24,;-5.64,-1.77,;-6.88,-2.68,;-8.29,-2.06,;-8.45,-.52,;-7.21,.38,;-.65,1.44,;.49,.4,;1.53,1.54,;.39,2.58,;3.07,1.5,;3.83,2.84,;3.05,4.16,;5.37,2.84,;6.14,4.17,;7.68,4.17,;8.45,2.84,;7.68,1.5,;8.45,.17,;7.68,-1.16,;6.14,-1.16,;5.37,.17,;6.14,1.5,)|

BDBM657027

Clc1ccccc1-n1c(nnc1-c1ccncn1)[C@H]1C[C@@H](C1)NC(=O)c1cccc2ncccc12 |r,wU:20.25,wD:18.20,(-.05,-.41,;-1.09,-1.55,;-.58,-3,;-1.58,-4.17,;-3.09,-3.89,;-3.61,-2.44,;-2.61,-1.27,;-3.09,.19,;-2.19,1.44,;-3.09,2.68,;-4.56,2.21,;-4.56,.67,;-5.8,-.24,;-5.64,-1.77,;-6.88,-2.68,;-8.29,-2.06,;-8.45,-.52,;-7.21,.38,;-.65,1.44,;.49,.4,;1.53,1.54,;.39,2.58,;3.07,1.5,;3.83,2.84,;3.05,4.16,;5.37,2.84,;6.14,4.17,;7.68,4.17,;8.45,2.84,;7.68,1.5,;8.45,.17,;7.68,-1.16,;6.14,-1.16,;5.37,.17,;6.14,1.5,)|

BDBM657028

Clc1ccccc1-n1c(nnc1-c1ccncn1)[C@H]1C[C@@H](C1)NC(=O)c1ccncc1 |r,wU:20.25,wD:18.20,(-.05,-.41,;-1.09,-1.55,;-.58,-3,;-1.58,-4.17,;-3.09,-3.89,;-3.61,-2.44,;-2.61,-1.27,;-3.09,.19,;-2.19,1.44,;-3.09,2.68,;-4.56,2.21,;-4.56,.67,;-5.8,-.24,;-5.64,-1.77,;-6.88,-2.68,;-8.29,-2.06,;-8.45,-.52,;-7.21,.38,;-.65,1.44,;.49,.4,;1.53,1.54,;.39,2.58,;3.07,1.5,;3.83,2.84,;3.05,4.16,;5.37,2.84,;6.14,1.5,;7.68,1.5,;8.45,2.84,;7.68,4.17,;6.14,4.17,)|

BDBM657029

Clc1ccccc1-n1c(nnc1-c1ccncn1)[C@H]1C[C@@H](C1)NC(=O)c1cccnc1 |r,wU:20.25,wD:18.20,(-.05,-.41,;-1.09,-1.55,;-.58,-3,;-1.58,-4.17,;-3.09,-3.89,;-3.61,-2.44,;-2.61,-1.27,;-3.09,.19,;-2.19,1.44,;-3.09,2.68,;-4.56,2.21,;-4.56,.67,;-5.8,-.24,;-5.64,-1.77,;-6.88,-2.68,;-8.29,-2.06,;-8.45,-.52,;-7.21,.38,;-.65,1.44,;.49,.4,;1.53,1.54,;.39,2.58,;3.07,1.5,;3.83,2.84,;3.05,4.16,;5.37,2.84,;6.14,1.5,;7.68,1.5,;8.45,2.84,;7.68,4.17,;6.14,4.17,)|

BDBM50541716

Clc1ccccc1-n1c(nnc1-c1ccncn1)[C@H]1C[C@@H](C1)NC(=O)c1ccccn1 |r,wU:20.25,wD:18.20,(68.32,-51.25,;66.99,-52.03,;66.99,-53.57,;65.65,-54.34,;64.31,-53.57,;64.31,-52.03,;65.65,-51.26,;65.65,-49.72,;66.9,-48.82,;66.43,-47.35,;64.88,-47.35,;64.4,-48.82,;62.94,-49.29,;62.62,-50.79,;61.16,-51.27,;60,-50.24,;60.33,-48.73,;61.8,-48.25,;68.37,-49.29,;69.07,-50.67,;70.44,-49.97,;69.74,-48.6,;71.91,-50.45,;73.05,-49.43,;72.74,-47.92,;74.51,-49.91,;75.64,-48.88,;77.1,-49.35,;77.42,-50.86,;76.28,-51.89,;74.82,-51.41,)|

BDBM657031

Clc1ccccc1-n1c(nnc1-c1ccncn1)[C@H]1C[C@@H](C1)NC(=O)c1ccncn1 |r,wU:20.25,wD:18.20,(-.05,-.41,;-1.09,-1.55,;-.58,-3,;-1.58,-4.17,;-3.09,-3.89,;-3.61,-2.44,;-2.61,-1.27,;-3.09,.19,;-2.19,1.44,;-3.09,2.68,;-4.56,2.21,;-4.56,.67,;-5.8,-.24,;-5.64,-1.77,;-6.88,-2.68,;-8.29,-2.06,;-8.45,-.52,;-7.21,.38,;-.65,1.44,;.49,.4,;1.53,1.54,;.39,2.58,;3.07,1.5,;3.83,2.84,;3.05,4.16,;5.37,2.84,;6.14,1.5,;7.68,1.5,;8.45,2.84,;7.68,4.17,;6.14,4.17,)|

BDBM657032

Clc1ccccc1-n1c(nnc1-c1ccncn1)[C@H]1C[C@@H](C1)NC(=O)c1ccccc1 |r,wU:20.25,wD:18.20,(-.05,-.41,;-1.09,-1.55,;-.58,-3,;-1.58,-4.17,;-3.09,-3.89,;-3.61,-2.44,;-2.61,-1.27,;-3.09,.19,;-2.19,1.44,;-3.09,2.68,;-4.56,2.21,;-4.56,.67,;-5.8,-.24,;-5.64,-1.77,;-6.88,-2.68,;-8.29,-2.06,;-8.45,-.52,;-7.21,.38,;-.65,1.44,;.49,.4,;1.53,1.54,;.39,2.58,;3.07,1.5,;3.83,2.84,;3.05,4.16,;5.37,2.84,;6.14,1.5,;7.68,1.5,;8.45,2.84,;7.68,4.17,;6.14,4.17,)|

BDBM657033

Fc1ccccc1C(=O)N[C@H]1C[C@@H](C1)c1nnc(-c2ccncn2)n1-c1ccccc1Cl |r,wU:10.10,wD:12.15,(5.37,.17,;6.14,1.5,;7.68,1.5,;8.45,2.84,;7.68,4.17,;6.14,4.17,;5.37,2.84,;3.83,2.84,;3.05,4.16,;3.07,1.5,;1.53,1.54,;.49,.4,;-.65,1.44,;.39,2.58,;-2.19,1.44,;-3.09,2.68,;-4.56,2.21,;-4.56,.67,;-5.8,-.24,;-5.64,-1.77,;-6.88,-2.68,;-8.29,-2.06,;-8.45,-.52,;-7.21,.38,;-3.09,.19,;-2.61,-1.27,;-3.61,-2.44,;-3.09,-3.89,;-1.58,-4.17,;-.58,-3,;-1.09,-1.55,;-.05,-.41,)|

BDBM657034

Fc1cccc(c1)C(=O)N[C@H]1C[C@@H](C1)c1nnc(-c2ccncn2)n1-c1ccccc1Cl |r,wU:10.10,wD:12.15,(8.45,.17,;7.68,1.5,;8.45,2.84,;7.68,4.17,;6.14,4.17,;5.37,2.84,;6.14,1.5,;3.83,2.84,;3.05,4.16,;3.07,1.5,;1.53,1.54,;.49,.4,;-.65,1.44,;.39,2.58,;-2.19,1.44,;-3.09,2.68,;-4.56,2.21,;-4.56,.67,;-5.8,-.24,;-5.64,-1.77,;-6.88,-2.68,;-8.29,-2.06,;-8.45,-.52,;-7.21,.38,;-3.09,.19,;-2.61,-1.27,;-3.61,-2.44,;-3.09,-3.89,;-1.58,-4.17,;-.58,-3,;-1.09,-1.55,;-.05,-.41,)|

BDBM657035

Fc1ccc(cc1)C(=O)N[C@H]1C[C@@H](C1)c1nnc(-c2ccncn2)n1-c1ccccc1Cl |r,wU:10.10,wD:12.15,(9.22,2.84,;7.68,2.84,;6.91,1.5,;5.37,1.5,;4.6,2.84,;5.37,4.17,;6.91,4.17,;3.06,2.84,;2.28,4.16,;2.3,1.5,;.76,1.54,;-.28,.4,;-1.42,1.44,;-.38,2.58,;-2.96,1.44,;-3.86,2.68,;-5.33,2.21,;-5.33,.67,;-6.57,-.24,;-6.41,-1.77,;-7.65,-2.68,;-9.06,-2.06,;-9.22,-.52,;-7.98,.38,;-3.86,.19,;-3.38,-1.27,;-4.38,-2.44,;-3.86,-3.89,;-2.35,-4.17,;-1.35,-3,;-1.86,-1.55,;-.82,-.41,)|

BDBM657036

Fc1cccc(F)c1C(=O)N[C@H]1C[C@@H](C1)c1nnc(-c2ccncn2)n1-c1ccccc1Cl |r,wU:11.11,wD:13.16,(5.37,-.5,;6.14,.84,;7.68,.84,;8.45,2.17,;7.68,3.51,;6.14,3.51,;5.37,4.84,;5.37,2.17,;3.83,2.17,;3.05,3.5,;3.07,.84,;1.53,.87,;.49,-.27,;-.65,.77,;.39,1.91,;-2.19,.77,;-3.09,2.02,;-4.56,1.54,;-4.56,0,;-5.8,-.91,;-5.64,-2.44,;-6.88,-3.35,;-8.29,-2.72,;-8.45,-1.19,;-7.21,-.28,;-3.09,-.48,;-2.61,-1.94,;-3.61,-3.11,;-3.09,-4.56,;-1.58,-4.84,;-.58,-3.67,;-1.09,-2.22,;-.05,-1.08,)|

BDBM657037

Fc1ccc(nc1)C(=O)N[C@H]1C[C@@H](C1)c1nnc(-c2ccncn2)n1-c1ccccc1Cl |r,wU:10.10,wD:12.15,(9.22,2.84,;7.68,2.84,;6.91,1.5,;5.37,1.5,;4.6,2.84,;5.37,4.17,;6.91,4.17,;3.06,2.84,;2.28,4.16,;2.3,1.5,;.76,1.54,;-.28,.4,;-1.42,1.44,;-.38,2.58,;-2.96,1.44,;-3.86,2.68,;-5.33,2.21,;-5.33,.67,;-6.57,-.24,;-6.41,-1.77,;-7.65,-2.68,;-9.06,-2.06,;-9.22,-.52,;-7.98,.38,;-3.86,.19,;-3.38,-1.27,;-4.38,-2.44,;-3.86,-3.89,;-2.35,-4.17,;-1.35,-3,;-1.86,-1.55,;-.82,-.41,)|

BDBM657038

Fc1cccnc1C(=O)N[C@H]1C[C@@H](C1)c1nnc(-c2ccncn2)n1-c1ccccc1Cl |r,wU:10.10,wD:12.15,(5.37,4.8,;6.16,3.48,;7.7,3.48,;8.47,2.15,;7.7,.81,;6.16,.81,;5.39,2.15,;3.85,2.18,;3.11,3.53,;3.08,.85,;1.54,.85,;.49,-.28,;-.64,.78,;.42,1.9,;-2.18,.81,;-3.08,2.05,;-4.55,1.58,;-4.55,.04,;-5.81,-.84,;-5.68,-2.37,;-6.95,-3.25,;-8.34,-2.6,;-8.47,-1.06,;-7.2,-.18,;-3.08,-.44,;-2.58,-1.89,;-3.59,-3.06,;-3.08,-4.51,;-1.57,-4.8,;-.56,-3.64,;-1.07,-2.18,;-.02,-1.06,)|

BDBM657039

Fc1cccc(n1)C(=O)N[C@H]1C[C@@H](C1)c1nnc(-c2ccncn2)n1-c1ccccc1Cl |r,wU:10.10,wD:12.15,(8.47,.15,;7.7,1.48,;8.47,2.82,;7.7,4.15,;6.16,4.15,;5.39,2.82,;6.16,1.48,;3.85,2.82,;3.11,4.17,;3.08,1.48,;1.54,1.48,;.49,.36,;-.64,1.41,;.41,2.53,;-2.18,1.44,;-3.08,2.69,;-4.55,2.21,;-4.55,.67,;-5.81,-.2,;-5.68,-1.74,;-6.95,-2.62,;-8.34,-1.96,;-8.47,-.43,;-7.2,.45,;-3.08,.2,;-2.58,-1.26,;-3.59,-2.43,;-3.08,-3.88,;-1.57,-4.17,;-.56,-3,;-1.07,-1.55,;-.02,-.43,)|

BDBM657040

Clc1ccccc1-n1c(nnc1C12CC(C1)(C2)NC(=O)c1ccnc2cccnc12)-c1ccncn1 |(-.02,-.44,;-1.07,-1.56,;-.56,-3.02,;-1.57,-4.18,;-3.08,-3.9,;-3.59,-2.44,;-2.58,-1.28,;-3.08,.18,;-4.55,.66,;-4.55,2.2,;-3.08,2.67,;-2.18,1.43,;-.64,1.43,;.42,2.55,;1.54,1.5,;.49,.38,;.47,.99,;3.08,1.5,;3.85,2.83,;3.11,4.18,;5.39,2.83,;6.16,4.17,;7.7,4.17,;8.47,2.83,;7.7,1.5,;8.47,.17,;7.7,-1.17,;6.16,-1.17,;5.39,.17,;6.16,1.5,;-5.81,-.22,;-5.68,-1.76,;-6.95,-2.63,;-8.34,-1.98,;-8.47,-.44,;-7.2,.43,)|

BDBM657041

Clc1ccccc1-n1c(nnc1-c1nccs1)[C@H]1C[C@@H](C1)NC(=O)c1ccnc2cccnc12 |r,wU:19.24,wD:17.19,(-.21,-.38,;-1.22,-1.55,;-.71,-3,;-1.71,-4.17,;-3.23,-3.88,;-3.73,-2.43,;-2.73,-1.26,;-3.23,.2,;-2.32,1.44,;-3.23,2.69,;-4.69,2.21,;-4.69,.67,;-5.96,-.2,;-7.42,.27,;-8.33,-.97,;-7.42,-2.22,;-5.96,-1.74,;-.78,1.41,;.34,.36,;1.4,1.48,;.27,2.53,;2.94,1.48,;3.71,2.82,;2.97,4.17,;5.25,2.82,;6.02,4.15,;7.56,4.15,;8.33,2.82,;7.56,1.48,;8.33,.15,;7.56,-1.18,;6.02,-1.18,;5.25,.15,;6.02,1.48,)|

BDBM657042

Clc1ccccc1-n1c(nnc1-c1nccs1)[C@H]1C[C@@H](C1)NC(=O)c1ccccn1 |r,wU:19.24,wD:17.19,(-.21,-.38,;-1.22,-1.55,;-.71,-3,;-1.71,-4.17,;-3.23,-3.88,;-3.73,-2.43,;-2.73,-1.26,;-3.23,.2,;-2.32,1.44,;-3.23,2.69,;-4.69,2.21,;-4.69,.67,;-5.96,-.2,;-7.42,.27,;-8.33,-.97,;-7.42,-2.22,;-5.96,-1.74,;-.78,1.41,;.34,.36,;1.4,1.48,;.27,2.53,;2.94,1.48,;3.71,2.82,;2.97,4.17,;5.25,2.82,;6.02,4.15,;7.56,4.15,;8.33,2.82,;7.56,1.48,;6.02,1.48,)|

BDBM657043

Clc1ccccc1-n1c(nnc1C12CC(C1)(C2)NC(=O)c1ccccn1)-c1ccncn1 |(-.02,-.44,;-1.07,-1.56,;-.56,-3.02,;-1.57,-4.18,;-3.08,-3.9,;-3.59,-2.44,;-2.58,-1.28,;-3.08,.18,;-4.55,.66,;-4.55,2.2,;-3.08,2.67,;-2.18,1.43,;-.64,1.43,;.42,2.55,;1.54,1.5,;.49,.38,;.47,.99,;3.08,1.5,;3.85,2.83,;3.11,4.18,;5.39,2.83,;6.16,4.17,;7.7,4.17,;8.47,2.83,;7.7,1.5,;6.16,1.5,;-5.81,-.22,;-5.68,-1.76,;-6.95,-2.63,;-8.34,-1.98,;-8.47,-.44,;-7.2,.43,)|

BDBM657044

Clc1ccccc1-n1c(nnc1C12CC(C1)(C2)NC(=O)c1ccccc1)-c1ccncn1 |(-.02,-.44,;-1.07,-1.56,;-.56,-3.02,;-1.57,-4.18,;-3.08,-3.9,;-3.59,-2.44,;-2.58,-1.28,;-3.08,.18,;-4.55,.66,;-4.55,2.2,;-3.08,2.67,;-2.18,1.43,;-.64,1.43,;.42,2.55,;1.54,1.5,;.49,.38,;.49,.87,;3.08,1.5,;3.85,2.83,;3.11,4.18,;5.39,2.83,;6.16,4.17,;7.7,4.17,;8.47,2.83,;7.7,1.5,;6.16,1.5,;-5.81,-.22,;-5.68,-1.76,;-6.95,-2.63,;-8.34,-1.98,;-8.47,-.44,;-7.2,.43,)|

BDBM657045

Clc1ccccc1-n1c(nnc1-c1nccs1)[C@H]1C[C@@H](C1)NC(=O)c1ccccc1 |r,wU:19.24,wD:17.19,(-.21,-.38,;-1.22,-1.55,;-.71,-3,;-1.71,-4.17,;-3.23,-3.88,;-3.73,-2.43,;-2.73,-1.26,;-3.23,.2,;-2.32,1.44,;-3.23,2.69,;-4.69,2.21,;-4.69,.67,;-5.96,-.2,;-7.42,.27,;-8.33,-.97,;-7.42,-2.22,;-5.96,-1.74,;-.78,1.41,;.34,.36,;1.4,1.48,;.27,2.53,;2.94,1.48,;3.71,2.82,;2.97,4.17,;5.25,2.82,;6.02,4.15,;7.56,4.15,;8.33,2.82,;7.56,1.48,;6.02,1.48,)|

BDBM657046

CCOc1ccc(nc1)-c1nnc([C@H]2C[C@@H](C2)NC(=O)c2ccccc2)n1-c1ccccc1F |r,wU:15.18,wD:13.13,(-10.33,-3.18,;-9.08,-2.28,;-7.67,-2.9,;-6.43,-2,;-5.02,-2.63,;-3.78,-1.72,;-3.94,-.19,;-5.34,.44,;-6.59,-.47,;-2.69,.72,;-2.69,2.26,;-1.23,2.73,;-.32,1.49,;1.22,1.49,;2.31,.4,;3.4,1.49,;2.31,2.58,;4.94,1.49,;5.71,2.82,;4.94,4.15,;7.25,2.82,;8.02,1.49,;9.56,1.49,;10.33,2.82,;9.56,4.15,;8.02,4.15,;-1.23,.24,;-.75,-1.22,;-1.78,-2.37,;-1.3,-3.83,;.2,-4.15,;1.23,-3.01,;.76,-1.54,;1.79,-.4,)|

BDBM50541697

CCOc1ccc(nc1)-c1nnc([C@H]2C[C@@H](C2)NC(=O)c2ccccn2)n1-c1ccccc1F |r,wU:15.18,wD:13.13,(2.31,-18.95,;3.77,-18.47,;4.92,-19.5,;6.38,-19.02,;7.54,-20.05,;9,-19.57,;9.31,-18.07,;8.17,-17.04,;6.7,-17.51,;10.77,-17.6,;11.25,-16.13,;12.79,-16.13,;13.26,-17.6,;14.73,-18.07,;15.42,-19.45,;16.8,-18.75,;16.1,-17.38,;18.26,-19.23,;19.41,-18.2,;19.09,-16.69,;20.87,-18.67,;22,-17.64,;23.47,-18.11,;23.79,-19.62,;22.65,-20.65,;21.19,-20.18,;12.02,-18.5,;12.02,-20.04,;10.68,-20.81,;10.68,-22.34,;12.02,-23.12,;13.36,-22.34,;13.35,-20.8,;14.68,-20.03,)|

BDBM50541694

CCOc1ccc(nc1)-c1nnc([C@H]2C[C@@H](C2)NC(=O)c2ccnc3cccnc23)n1-c1ccccc1F |r,wU:15.18,wD:13.13,(2.01,-4.77,;3.48,-4.3,;4.62,-5.33,;6.09,-4.85,;7.24,-5.88,;8.7,-5.4,;9.02,-3.9,;7.87,-2.87,;6.41,-3.34,;10.48,-3.42,;10.95,-1.96,;12.49,-1.96,;12.97,-3.42,;14.43,-3.9,;15.13,-5.28,;16.5,-4.58,;15.8,-3.21,;17.97,-5.06,;19.11,-4.02,;18.79,-2.52,;20.58,-4.5,;21.71,-3.47,;23.17,-3.94,;23.5,-5.45,;22.35,-6.48,;22.67,-7.97,;21.54,-9,;20.08,-8.53,;19.76,-7.03,;20.89,-6.01,;11.72,-4.33,;11.73,-5.87,;10.39,-6.64,;10.39,-8.17,;11.72,-8.95,;13.06,-8.17,;13.06,-6.63,;14.39,-5.86,)|

BDBM657050

Fc1ccc(cc1)C(=O)N[C@H]1C[C@@H](C1)c1nnc(-c2nccs2)n1-c1ccccc1Cl |r,wU:10.10,wD:12.15,(9.1,2.82,;7.56,2.82,;6.79,4.15,;5.25,4.15,;4.48,2.82,;5.25,1.48,;6.79,1.48,;2.94,2.82,;2.2,4.17,;2.17,1.48,;.63,1.48,;-.43,.36,;-1.55,1.41,;-.5,2.53,;-3.09,1.44,;-4,2.69,;-5.46,2.21,;-5.46,.67,;-6.73,-.2,;-8.19,.27,;-9.1,-.97,;-8.19,-2.22,;-6.73,-1.74,;-4,.2,;-3.5,-1.26,;-4.5,-2.43,;-4,-3.88,;-2.48,-4.17,;-1.48,-3,;-1.99,-1.55,;-.98,-.38,)|

BDBM657051

CCOc1ccc(nc1)-c1nnc([C@H]2C[C@@H](C2)NC(=O)c2ccc(F)cc2)n1-c1ccccc1F |r,wU:15.18,wD:13.13,(-11.1,-3.18,;-9.85,-2.28,;-8.44,-2.9,;-7.2,-2,;-5.79,-2.63,;-4.55,-1.72,;-4.71,-.19,;-6.11,.44,;-7.36,-.47,;-3.46,.72,;-3.46,2.26,;-2,2.73,;-1.09,1.49,;.45,1.49,;1.54,.4,;2.63,1.49,;1.54,2.58,;4.17,1.49,;4.94,2.82,;4.17,4.15,;6.48,2.82,;7.25,1.49,;8.79,1.49,;9.56,2.82,;11.1,2.82,;8.79,4.15,;7.25,4.15,;-2,.24,;-1.52,-1.22,;-2.55,-2.37,;-2.07,-3.83,;-.57,-4.15,;.46,-3.01,;-.01,-1.54,;1.02,-.4,)|

BDBM50541698

Fc1ccccc1-n1c(nnc1-c1nccs1)[C@H]1C[C@@H](C1)NC(=O)c1ccccn1 |r,wU:19.24,wD:17.19,(41.59,-20.45,;40.25,-21.22,;40.26,-22.76,;38.92,-23.54,;37.59,-22.76,;37.59,-21.23,;38.92,-20.46,;38.92,-18.92,;40.17,-18.02,;39.69,-16.55,;38.15,-16.55,;37.67,-18.02,;36.21,-18.49,;34.97,-17.59,;33.72,-18.49,;34.2,-19.96,;35.74,-19.95,;41.63,-18.49,;42.33,-19.87,;43.7,-19.17,;43,-17.8,;45.17,-19.65,;46.31,-18.62,;45.99,-17.11,;47.77,-19.09,;48.91,-18.06,;50.37,-18.53,;50.7,-20.04,;49.55,-21.07,;48.09,-20.6,)|

BDBM50541695

Fc1ccccc1-n1c(nnc1-c1nccs1)[C@H]1C[C@@H](C1)NC(=O)c1ccnc2cccnc12 |r,wU:19.24,wD:17.19,(40.76,-5.91,;39.43,-6.69,;39.43,-8.22,;38.09,-9,;36.76,-8.23,;36.76,-6.69,;38.1,-5.92,;38.09,-4.38,;39.34,-3.48,;38.86,-2.01,;37.32,-2.01,;36.85,-3.48,;35.39,-3.95,;34.14,-3.05,;32.89,-3.95,;33.37,-5.42,;34.91,-5.42,;40.8,-3.96,;41.5,-5.33,;42.87,-4.63,;42.17,-3.26,;44.34,-5.11,;45.48,-4.08,;45.16,-2.57,;46.95,-4.55,;48.08,-3.52,;49.54,-3.99,;49.87,-5.51,;48.72,-6.54,;49.04,-8.03,;47.91,-9.06,;46.45,-8.59,;46.13,-7.09,;47.26,-6.06,)|

BDBM657054

Fc1ccccc1-n1c(nnc1-c1nccs1)[C@H]1C[C@@H](C1)NC(=O)c1ccccc1 |r,wU:19.24,wD:17.19,(-.16,-.43,;-1.22,-1.55,;-.71,-3,;-1.71,-4.17,;-3.23,-3.88,;-3.73,-2.43,;-2.73,-1.26,;-3.23,.2,;-2.32,1.44,;-3.23,2.69,;-4.69,2.21,;-4.69,.67,;-5.96,-.2,;-7.42,.27,;-8.33,-.97,;-7.42,-2.22,;-5.96,-1.74,;-.78,1.41,;.34,.36,;1.4,1.48,;.27,2.53,;2.94,1.48,;3.71,2.82,;2.97,4.17,;5.25,2.82,;6.02,4.15,;7.56,4.15,;8.33,2.82,;7.56,1.48,;6.02,1.48,)|

BDBM657055

Fc1ccc(cc1)C(=O)N[C@H]1C[C@@H](C1)c1nnc(-c2nccs2)n1-c1ccccc1F |r,wU:10.10,wD:12.15,(9.1,2.82,;7.56,2.82,;6.79,4.15,;5.25,4.15,;4.48,2.82,;5.25,1.48,;6.79,1.48,;2.94,2.82,;2.2,4.17,;2.17,1.48,;.63,1.48,;-.43,.36,;-1.55,1.41,;-.5,2.53,;-3.09,1.44,;-4,2.69,;-5.46,2.21,;-5.46,.67,;-6.73,-.2,;-8.19,.27,;-9.1,-.97,;-8.19,-2.22,;-6.73,-1.74,;-4,.2,;-3.5,-1.26,;-4.5,-2.43,;-4,-3.88,;-2.48,-4.17,;-1.48,-3,;-1.99,-1.55,;-.93,-.43,)|

BDBM50579958

CCOc1ccc(nc1)-c1nnc([C@H]2C[C@@H](C2)NC(=O)c2ccccn2)n1-c1ccccc1 |r,wU:15.18,wD:13.13,(33.18,-42.09,;34.08,-40.85,;35.61,-41.02,;36.51,-39.77,;38.04,-39.93,;38.94,-38.69,;38.32,-37.3,;36.79,-37.13,;35.89,-38.37,;39.22,-36.06,;38.75,-34.59,;39.98,-33.68,;41.24,-34.59,;42.7,-34.11,;44.07,-34.82,;44.78,-33.44,;43.4,-32.74,;46.25,-32.97,;46.57,-31.46,;45.42,-30.43,;48.04,-30.98,;48.34,-29.47,;49.81,-28.99,;50.97,-30.02,;50.65,-31.53,;49.18,-32.01,;40.76,-36.06,;41.66,-37.3,;41.03,-38.7,;41.93,-39.94,;43.46,-39.78,;44.08,-38.37,;43.18,-37.14,)|

BDBM657057

CCOc1ccc(nc1)-c1nnc([C@H]2C[C@@H](C2)NC(=O)c2ccnc3cccnc23)n1-c1ccccc1 |r,wU:15.18,wD:13.13,(-10.33,-3.18,;-9.08,-2.28,;-7.67,-2.9,;-6.43,-2,;-5.02,-2.63,;-3.78,-1.72,;-3.94,-.19,;-5.34,.44,;-6.59,-.47,;-2.69,.72,;-2.69,2.26,;-1.23,2.73,;-.32,1.49,;1.22,1.49,;2.31,.4,;3.4,1.49,;2.31,2.58,;4.94,1.49,;5.71,2.82,;4.94,4.15,;7.25,2.82,;8.02,4.15,;9.56,4.15,;10.33,2.82,;9.56,1.49,;10.33,.15,;9.56,-1.18,;8.02,-1.18,;7.25,.15,;8.02,1.49,;-1.23,.24,;-.75,-1.22,;-1.78,-2.37,;-1.3,-3.83,;.2,-4.15,;1.23,-3.01,;.76,-1.54,)|

BDBM657058

CCOc1ccc(nc1)-c1nnc([C@H]2C[C@@H](C2)NC(=O)c2ccccc2)n1-c1ccccc1 |r,wU:15.18,wD:13.13,(-10.33,-3.18,;-9.08,-2.28,;-7.67,-2.9,;-6.43,-2,;-5.02,-2.63,;-3.78,-1.72,;-3.94,-.19,;-5.34,.44,;-6.59,-.47,;-2.69,.72,;-2.69,2.26,;-1.23,2.73,;-.32,1.49,;1.22,1.49,;2.31,.4,;3.4,1.49,;2.31,2.58,;4.94,1.49,;5.71,2.82,;4.94,4.15,;7.25,2.82,;8.02,1.49,;9.56,1.49,;10.33,2.82,;9.56,4.15,;8.02,4.15,;-1.23,.24,;-.75,-1.22,;-1.78,-2.37,;-1.3,-3.83,;.2,-4.15,;1.23,-3.01,;.76,-1.54,)|

BDBM657059

CCOc1ccc(nc1)-c1nnc([C@H]2C[C@@H](C2)NC(=O)c2ccc(F)cc2)n1-c1ccccc1 |r,wU:15.18,wD:13.13,(-11.1,-3.18,;-9.85,-2.28,;-8.44,-2.9,;-7.2,-2,;-5.79,-2.63,;-4.55,-1.72,;-4.71,-.19,;-6.11,.44,;-7.36,-.47,;-3.46,.72,;-3.46,2.26,;-2,2.73,;-1.09,1.49,;.45,1.49,;1.54,.4,;2.63,1.49,;1.54,2.58,;4.17,1.49,;4.94,2.82,;4.17,4.15,;6.48,2.82,;7.25,1.49,;8.79,1.49,;9.56,2.82,;11.1,2.82,;8.79,4.15,;7.25,4.15,;-2,.24,;-1.52,-1.22,;-2.55,-2.37,;-2.07,-3.83,;-.57,-4.15,;.46,-3.01,;-.01,-1.54,)|

BDBM657060

O=C(N[C@H]1C[C@@H](C1)c1nnc(-c2nccs2)n1-c1ccccc1)c1ccccn1 |r,wU:3.2,wD:5.7,(2.97,4.17,;3.71,2.82,;2.94,1.48,;1.4,1.48,;.34,.36,;-.78,1.41,;.27,2.53,;-2.32,1.44,;-3.23,2.69,;-4.69,2.21,;-4.69,.67,;-5.96,-.2,;-7.42,.27,;-8.33,-.97,;-7.42,-2.22,;-5.96,-1.74,;-3.23,.2,;-2.73,-1.26,;-3.73,-2.43,;-3.23,-3.88,;-1.71,-4.17,;-.71,-3,;-1.22,-1.55,;5.25,2.82,;6.02,4.15,;7.56,4.15,;8.33,2.82,;7.56,1.48,;6.02,1.48,)|

BDBM657061

O=C(N[C@H]1C[C@@H](C1)c1nnc(-c2nccs2)n1-c1ccccc1)c1ccnc2cccnc12 |r,wU:3.2,wD:5.7,(2.97,4.17,;3.71,2.82,;2.94,1.48,;1.4,1.48,;.34,.36,;-.78,1.41,;.27,2.53,;-2.32,1.44,;-3.23,2.69,;-4.69,2.21,;-4.69,.67,;-5.96,-.2,;-7.42,.27,;-8.33,-.97,;-7.42,-2.22,;-5.96,-1.74,;-3.23,.2,;-2.73,-1.26,;-3.73,-2.43,;-3.23,-3.88,;-1.71,-4.17,;-.71,-3,;-1.22,-1.55,;5.25,2.82,;6.02,4.15,;7.56,4.15,;8.33,2.82,;7.56,1.48,;8.33,.15,;7.56,-1.18,;6.02,-1.18,;5.25,.15,;6.02,1.48,)|

BDBM657062

O=C(N[C@H]1C[C@@H](C1)c1nnc(-c2nccs2)n1-c1ccccc1)c1ccccc1 |r,wU:3.2,wD:5.7,(2.97,4.17,;3.71,2.82,;2.94,1.48,;1.4,1.48,;.34,.36,;-.78,1.41,;.27,2.53,;-2.32,1.44,;-3.23,2.69,;-4.69,2.21,;-4.69,.67,;-5.96,-.2,;-7.42,.27,;-8.33,-.97,;-7.42,-2.22,;-5.96,-1.74,;-3.23,.2,;-2.73,-1.26,;-3.73,-2.43,;-3.23,-3.88,;-1.71,-4.17,;-.71,-3,;-1.22,-1.55,;5.25,2.82,;6.02,4.15,;7.56,4.15,;8.33,2.82,;7.56,1.48,;6.02,1.48,)|

BDBM657063

Fc1ccc(cc1)C(=O)N[C@H]1C[C@@H](C1)c1nnc(-c2nccs2)n1-c1ccccc1 |r,wU:10.10,wD:12.15,(9.1,2.82,;7.56,2.82,;6.79,4.15,;5.25,4.15,;4.48,2.82,;5.25,1.48,;6.79,1.48,;2.94,2.82,;2.2,4.17,;2.17,1.48,;.63,1.48,;-.43,.36,;-1.55,1.41,;-.5,2.53,;-3.09,1.44,;-4,2.69,;-5.46,2.21,;-5.46,.67,;-6.73,-.2,;-8.19,.27,;-9.1,-.97,;-8.19,-2.22,;-6.73,-1.74,;-4,.2,;-3.5,-1.26,;-4.5,-2.43,;-4,-3.88,;-2.48,-4.17,;-1.48,-3,;-1.99,-1.55,)|

BDBM657064

Cc1ccc(s1)-n1c(nnc1-c1nccs1)[C@H]1C[C@@H](C1)NC(=O)c1ccccn1 |r,wU:18.23,wD:16.18,(-.01,-4.15,;-1.25,-3.24,;-2.72,-3.72,;-3.62,-2.47,;-2.72,-1.23,;-1.25,-1.7,;-3.19,.24,;-2.29,1.48,;-3.19,2.73,;-4.66,2.25,;-4.66,.71,;-5.99,-.06,;-7.46,.42,;-8.36,-.83,;-7.46,-2.07,;-5.99,-1.6,;-.75,1.48,;.34,.39,;1.43,1.48,;.34,2.57,;2.97,1.48,;3.74,2.82,;2.97,4.15,;5.28,2.82,;6.05,4.15,;7.59,4.15,;8.36,2.82,;7.59,1.48,;6.05,1.48,)|

BDBM50579960

CCOc1ccc(nc1)-c1nnc([C@H]2C[C@@H](C2)NC(=O)c2ccccn2)n1-c1ccc(C)s1 |r,wU:15.18,wD:13.13,(2.55,-58.18,;3.45,-56.94,;4.98,-57.1,;5.88,-55.86,;7.42,-56.02,;8.31,-54.78,;7.69,-53.39,;6.16,-53.22,;5.26,-54.46,;8.59,-52.15,;8.12,-50.68,;9.36,-49.77,;10.61,-50.68,;12.07,-50.2,;13.45,-50.91,;14.15,-49.53,;12.78,-48.83,;15.62,-49.06,;15.94,-47.55,;14.79,-46.51,;17.41,-47.07,;17.72,-45.56,;19.18,-45.08,;20.34,-46.11,;20.02,-47.62,;18.55,-48.1,;10.13,-52.15,;11.03,-53.4,;10.56,-54.86,;11.8,-55.76,;13.04,-54.86,;14.5,-55.33,;12.57,-53.4,)|

BDBM657066

Clc1ccc(s1)-n1c(nnc1-c1nccs1)[C@H]1C[C@@H](C1)NC(=O)c1ccccn1 |r,wU:18.23,wD:16.18,(-.01,-4.15,;-1.25,-3.24,;-2.72,-3.72,;-3.62,-2.47,;-2.72,-1.23,;-1.25,-1.7,;-3.19,.24,;-2.29,1.48,;-3.19,2.73,;-4.66,2.25,;-4.66,.71,;-5.99,-.06,;-7.46,.42,;-8.36,-.83,;-7.46,-2.07,;-5.99,-1.6,;-.75,1.48,;.34,.39,;1.43,1.48,;.34,2.57,;2.97,1.48,;3.74,2.82,;2.97,4.15,;5.28,2.82,;6.05,4.15,;7.59,4.15,;8.36,2.82,;7.59,1.48,;6.05,1.48,)|

BDBM50579961

CCOc1ccc(nc1)-c1nnc([C@H]2C[C@@H](C2)NC(=O)c2ccccn2)n1-c1ccc(Cl)s1 |r,wU:15.18,wD:13.13,(20.51,-57.52,;21.41,-56.28,;22.94,-56.44,;23.84,-55.2,;25.38,-55.36,;26.27,-54.12,;25.65,-52.72,;24.13,-52.56,;23.22,-53.8,;26.55,-51.49,;26.08,-50.02,;27.32,-49.11,;28.57,-50.02,;30.03,-49.54,;31.41,-50.25,;32.11,-48.87,;30.74,-48.17,;33.58,-48.4,;33.9,-46.89,;32.75,-45.86,;35.37,-46.41,;35.68,-44.9,;37.14,-44.42,;38.3,-45.45,;37.98,-46.96,;36.51,-47.44,;28.09,-51.49,;28.99,-52.74,;28.52,-54.2,;29.76,-55.1,;31,-54.2,;32.46,-54.67,;30.53,-52.74,)|

BDBM657068

Cc1ccc(s1)-n1c(nnc1-c1nccs1)[C@H]1C[C@@H](C1)NC(=O)c1ccnc2cccnc12 |r,wU:18.23,wD:16.18,(-.01,-4.15,;-1.25,-3.24,;-2.72,-3.72,;-3.62,-2.47,;-2.72,-1.23,;-1.25,-1.7,;-3.19,.24,;-2.29,1.48,;-3.19,2.73,;-4.66,2.25,;-4.66,.71,;-5.99,-.06,;-7.46,.42,;-8.36,-.83,;-7.46,-2.07,;-5.99,-1.6,;-.75,1.48,;.34,.39,;1.43,1.48,;.34,2.57,;2.97,1.48,;3.74,2.82,;2.97,4.15,;5.28,2.82,;6.05,4.15,;7.59,4.15,;8.36,2.82,;7.59,1.48,;8.36,.15,;7.59,-1.19,;6.05,-1.19,;5.28,.15,;6.05,1.48,)|

BDBM50579971

CCOc1ccc(nc1)-c1nnc([C@H]2C[C@@H](C2)NC(=O)c2ccnc3cccnc23)n1-c1ccc(C)s1 |r,wU:15.18,wD:13.13,(17.7,-41.14,;18.6,-39.9,;20.11,-40.06,;21.01,-38.83,;22.53,-38.99,;23.42,-37.75,;22.81,-36.37,;21.29,-36.2,;20.39,-37.43,;23.7,-35.14,;23.23,-33.67,;24.47,-32.76,;25.73,-33.67,;27.2,-33.18,;28.57,-33.89,;29.28,-32.52,;27.9,-31.81,;30.75,-32.04,;31.08,-30.53,;29.93,-29.49,;32.55,-30.04,;32.86,-28.53,;34.33,-28.05,;35.49,-29.08,;35.17,-30.6,;36.31,-31.63,;35.99,-33.13,;34.52,-33.62,;33.38,-32.58,;33.7,-31.08,;25.25,-35.14,;26.15,-36.38,;25.67,-37.82,;26.91,-38.72,;28.14,-37.83,;29.59,-38.3,;27.67,-36.38,)|

BDBM657070

Clc1ccc(s1)-n1c(nnc1-c1nccs1)[C@H]1C[C@@H](C1)NC(=O)c1ccnc2cccnc12 |r,wU:18.23,wD:16.18,(-.01,-4.15,;-1.25,-3.24,;-2.72,-3.72,;-3.62,-2.47,;-2.72,-1.23,;-1.25,-1.7,;-3.19,.24,;-2.29,1.48,;-3.19,2.73,;-4.66,2.25,;-4.66,.71,;-5.99,-.06,;-7.46,.42,;-8.36,-.83,;-7.46,-2.07,;-5.99,-1.6,;-.75,1.48,;.34,.39,;1.43,1.48,;.34,2.57,;2.97,1.48,;3.74,2.82,;2.97,4.15,;5.28,2.82,;6.05,4.15,;7.59,4.15,;8.36,2.82,;7.59,1.48,;8.36,.15,;7.59,-1.19,;6.05,-1.19,;5.28,.15,;6.05,1.48,)|

BDBM657071

CCOc1ccc(nc1)-c1nnc([C@H]2C[C@@H](C2)NC(=O)c2ccnc3cccnc23)n1-c1ccc(Cl)s1 |r,wU:15.18,wD:13.13,(-10.33,-3.19,;-9.08,-2.28,;-7.67,-2.91,;-6.43,-2,;-5.02,-2.63,;-3.78,-1.72,;-3.94,-.19,;-5.34,.43,;-6.59,-.47,;-2.69,.71,;-2.69,2.25,;-1.23,2.73,;-.32,1.48,;1.22,1.48,;2.31,.39,;3.4,1.48,;2.31,2.57,;4.94,1.48,;5.71,2.82,;4.94,4.15,;7.25,2.82,;8.02,4.15,;9.56,4.15,;10.33,2.82,;9.56,1.48,;10.33,.15,;9.56,-1.19,;8.02,-1.19,;7.25,.15,;8.02,1.48,;-1.23,.24,;-.75,-1.23,;-1.66,-2.47,;-.75,-3.72,;.71,-3.24,;1.96,-4.15,;.71,-1.7,)|

BDBM657072

CCOc1ccc(nc1)-c1nnc([C@H]2C[C@@H](C2)NC(=O)c2ccnc3cc(F)cnc23)n1-c1ccccc1F |r,wU:15.18,wD:13.13,(-10.33,-3.18,;-9.08,-2.28,;-7.67,-2.9,;-6.43,-2,;-5.02,-2.63,;-3.78,-1.72,;-3.94,-.19,;-5.34,.44,;-6.59,-.47,;-2.69,.72,;-2.69,2.26,;-1.23,2.73,;-.32,1.49,;1.22,1.49,;2.31,.4,;3.4,1.49,;2.31,2.58,;4.94,1.49,;5.71,2.82,;4.94,4.15,;7.25,2.82,;8.02,4.15,;9.56,4.15,;10.33,2.82,;9.56,1.49,;10.33,.15,;9.56,-1.18,;10.33,-2.51,;8.02,-1.18,;7.25,.15,;8.02,1.49,;-1.23,.24,;-.75,-1.22,;-1.78,-2.37,;-1.3,-3.83,;.2,-4.15,;1.23,-3.01,;.76,-1.54,;1.79,-.4,)|

BDBM657073

CCOc1ccc(nc1)-c1nnc([C@H]2C[C@@H](C2)NC(=O)c2ccnc3cc(F)cnc23)n1-c1ccccc1F |r,wU:15.18,wD:13.13,(-9.62,-2.9,;-8.38,-2,;-6.97,-2.62,;-5.72,-1.72,;-4.32,-2.35,;-3.07,-1.44,;-3.23,.09,;-4.64,.72,;-5.89,-.19,;-1.99,1,;-1.99,2.54,;-.52,3.01,;.38,1.77,;1.92,1.77,;3.01,.68,;4.1,1.77,;3.01,2.86,;5.64,1.77,;6.41,3.1,;5.64,4.43,;7.95,3.1,;8.72,4.43,;10.26,4.43,;11.03,3.1,;10.26,1.77,;11.03,.43,;10.26,-.9,;11.03,-2.23,;8.72,-.9,;7.95,.43,;8.72,1.77,;-.52,.52,;-.05,-.94,;-1.08,-2.09,;-.6,-3.55,;.9,-3.87,;1.94,-2.73,;1.46,-1.26,;2.49,-.12,)|

BDBM657074

Fc1cnc2c(ccnc2c1)C(=O)N[C@H]1C[C@@H](C1)c1nnc(-c2nccs2)n1-c1ccccc1F |r,wU:14.15,wD:16.20,(8.33,-2.52,;7.56,-1.18,;6.02,-1.18,;5.25,.15,;6.02,1.48,;5.25,2.82,;6.02,4.15,;7.56,4.15,;8.33,2.82,;7.56,1.48,;8.33,.15,;3.71,2.82,;2.97,4.17,;2.94,1.48,;1.4,1.48,;.34,.36,;-.78,1.41,;.27,2.53,;-2.32,1.44,;-3.23,2.69,;-4.69,2.21,;-4.69,.67,;-5.96,-.2,;-7.42,.27,;-8.33,-.97,;-7.42,-2.22,;-5.96,-1.74,;-3.23,.2,;-2.73,-1.26,;-3.73,-2.43,;-3.23,-3.88,;-1.71,-4.17,;-.71,-3,;-1.22,-1.55,;-.16,-.43,)|

BDBM657075

CCOc1ccc(nc1)-c1nnc(n1-c1ccccc1F)C12CC(C1)(C2)NC(=O)c1ccnc2cccnc12 |(-10.33,-3.18,;-9.08,-2.28,;-7.67,-2.9,;-6.43,-2,;-5.02,-2.63,;-3.78,-1.72,;-3.94,-.19,;-5.34,.44,;-6.59,-.47,;-2.69,.72,;-2.69,2.26,;-1.23,2.73,;-.32,1.49,;-1.23,.24,;-.75,-1.22,;-1.78,-2.37,;-1.3,-3.83,;.2,-4.15,;1.23,-3.01,;.76,-1.54,;1.79,-.4,;1.22,1.49,;2.31,2.58,;3.4,1.49,;2.31,.4,;2.26,.94,;4.94,1.49,;5.71,2.82,;4.94,4.15,;7.25,2.82,;8.02,4.15,;9.56,4.15,;10.33,2.82,;9.56,1.49,;10.33,.15,;9.56,-1.18,;8.02,-1.18,;7.25,.15,;8.02,1.49,)|

BDBM657076

CCOc1ccc(nc1)C(=O)N[C@H]1C[C@@H](C1)c1nnc(-c2nccs2)n1-c1ccccc1F |r,wU:12.12,wD:14.17,(10.25,4.15,;8.71,4.15,;7.94,2.82,;6.4,2.82,;5.63,4.15,;4.09,4.15,;3.32,2.82,;4.09,1.48,;5.63,1.48,;1.78,2.82,;1.04,4.17,;1.01,1.48,;-.53,1.48,;-1.58,.36,;-2.71,1.41,;-1.65,2.53,;-4.25,1.44,;-5.15,2.69,;-6.62,2.21,;-6.62,.67,;-7.88,-.2,;-9.35,.27,;-10.25,-.97,;-9.35,-2.22,;-7.88,-1.74,;-5.15,.2,;-4.65,-1.26,;-5.66,-2.43,;-5.15,-3.88,;-3.64,-4.17,;-2.63,-3,;-3.14,-1.55,;-2.09,-.43,)|

BDBM657077

CCOc1ccc(nc1)C(=O)N[C@H]1C[C@@H](C1)c1nnc(-c2ccc(OCC)cn2)n1-c1ccccc1F |r,wU:12.12,wD:14.17,(12.25,4.15,;10.71,4.15,;9.94,2.82,;8.4,2.82,;7.63,1.49,;6.09,1.49,;5.32,2.82,;6.09,4.15,;7.63,4.15,;3.78,2.82,;3.01,4.15,;3.01,1.49,;1.47,1.49,;.38,.4,;-.71,1.49,;.38,2.58,;-2.25,1.49,;-3.15,2.73,;-4.62,2.26,;-4.62,.72,;-5.86,-.19,;-5.7,-1.72,;-6.95,-2.63,;-8.35,-2,;-9.6,-2.9,;-11.01,-2.28,;-12.25,-3.18,;-8.51,-.47,;-7.27,.44,;-3.15,.24,;-2.68,-1.22,;-3.71,-2.37,;-3.23,-3.83,;-1.72,-4.15,;-.69,-3.01,;-1.17,-1.54,;-.14,-.4,)|

BDBM657078

CCOc1ccc(nc1)-c1nnc([C@H]2C[C@@H](C2)NC(=O)c2ccc(F)cn2)n1-c1ccccc1F |r,wU:15.18,wD:13.13,(-11.1,-3.18,;-9.85,-2.28,;-8.44,-2.9,;-7.2,-2,;-5.79,-2.63,;-4.55,-1.72,;-4.71,-.19,;-6.11,.44,;-7.36,-.47,;-3.46,.72,;-3.46,2.26,;-2,2.73,;-1.09,1.49,;.45,1.49,;1.54,.4,;2.63,1.49,;1.54,2.58,;4.17,1.49,;4.94,2.82,;4.17,4.15,;6.48,2.82,;7.25,4.15,;8.79,4.15,;9.56,2.82,;11.1,2.82,;8.79,1.49,;7.25,1.49,;-2,.24,;-1.52,-1.22,;-2.55,-2.37,;-2.07,-3.83,;-.57,-4.15,;.46,-3.01,;-.01,-1.54,;1.02,-.4,)|

BDBM657079

O=C(N[C@H]1C[C@@H](C1)c1nnc(-c2nccs2)n1-c1ccccn1)c1ccnc2cccnc12 |r,wU:3.2,wD:5.7,(2.97,4.17,;3.71,2.82,;2.94,1.48,;1.4,1.48,;.34,.36,;-.78,1.41,;.27,2.53,;-2.32,1.44,;-3.23,2.69,;-4.69,2.21,;-4.69,.67,;-5.96,-.2,;-7.42,.27,;-8.33,-.97,;-7.42,-2.22,;-5.96,-1.74,;-3.23,.2,;-2.73,-1.26,;-3.73,-2.43,;-3.23,-3.88,;-1.71,-4.17,;-.71,-3,;-1.22,-1.55,;5.25,2.82,;6.02,4.15,;7.56,4.15,;8.33,2.82,;7.56,1.48,;8.33,.15,;7.56,-1.18,;6.02,-1.18,;5.25,.15,;6.02,1.48,)|

BDBM50541696

CS(=O)(=O)c1ccc(nc1)-c1nnc([C@H]2C[C@@H](C2)NC(=O)c2ccnc3cccnc23)n1-c1ccccc1F |r,wU:16.19,wD:14.14,(60.08,-4.37,;61.23,-5.39,;61.62,-6.88,;60.14,-6.48,;62.7,-4.92,;63.85,-5.95,;65.31,-5.47,;65.63,-3.97,;64.48,-2.94,;63.02,-3.41,;67.09,-3.5,;67.56,-2.03,;69.1,-2.03,;69.58,-3.5,;71.04,-3.97,;71.74,-5.35,;73.11,-4.65,;72.42,-3.28,;74.58,-5.13,;75.73,-4.1,;75.4,-2.59,;77.19,-4.57,;78.32,-3.54,;79.79,-4.01,;80.11,-5.52,;78.97,-6.56,;79.29,-8.05,;78.16,-9.08,;76.69,-8.61,;76.37,-7.1,;77.51,-6.08,;68.33,-4.4,;68.34,-5.94,;67,-6.71,;67,-8.25,;68.33,-9.02,;69.67,-8.24,;69.67,-6.7,;71,-5.93,)|

BDBM50541700

CS(=O)(=O)c1ccc(nc1)-c1nnc([C@H]2C[C@@H](C2)NC(=O)c2cccc3cccnc23)n1-c1ccccc1F |r,wU:16.19,wD:14.14,(3.37,-31.64,;4.51,-32.66,;4.91,-34.15,;3.42,-33.75,;5.98,-32.19,;7.13,-33.22,;8.59,-32.74,;8.91,-31.24,;7.76,-30.21,;6.3,-30.68,;10.37,-30.77,;10.84,-29.3,;12.38,-29.3,;12.86,-30.77,;14.32,-31.24,;15.02,-32.62,;16.39,-31.92,;15.69,-30.55,;17.86,-32.4,;19,-31.37,;18.68,-29.86,;20.47,-31.84,;21.6,-30.81,;23.06,-31.28,;23.39,-32.79,;22.24,-33.82,;22.56,-35.32,;21.43,-36.34,;19.97,-35.87,;19.65,-34.37,;20.79,-33.35,;11.61,-31.67,;11.62,-33.21,;10.28,-33.98,;10.28,-35.52,;11.61,-36.29,;12.95,-35.51,;12.95,-33.97,;14.28,-33.2,)|

BDBM657082

CCOc1ccc(nc1)-c1nnc([C@H]2C[C@@H](C2)NC(=O)c2cccc3cccnc23)n1-c1ccccc1F |r,wU:15.18,wD:13.13,(-10.33,-3.18,;-9.08,-2.28,;-7.67,-2.9,;-6.43,-2,;-5.02,-2.63,;-3.78,-1.72,;-3.94,-.19,;-5.34,.44,;-6.59,-.47,;-2.69,.72,;-2.69,2.26,;-1.23,2.73,;-.32,1.49,;1.22,1.49,;2.31,.4,;3.4,1.49,;2.31,2.58,;4.94,1.49,;5.71,2.82,;4.94,4.15,;7.25,2.82,;8.02,4.15,;9.56,4.15,;10.33,2.82,;9.56,1.49,;10.33,.15,;9.56,-1.18,;8.02,-1.18,;7.25,.15,;8.02,1.49,;-1.23,.24,;-.75,-1.22,;-1.78,-2.37,;-1.3,-3.83,;.2,-4.15,;1.23,-3.01,;.76,-1.54,;1.79,-.4,)|

BDBM657083

CCOc1ccc(nc1)-c1nnc([C@H]2C[C@@H](C2)NC(=O)c2cccc3cccnc23)n1-c1ccccc1F |r,wU:15.18,wD:13.13,(-9.62,-2.9,;-8.38,-2,;-6.97,-2.62,;-5.72,-1.72,;-4.32,-2.35,;-3.07,-1.44,;-3.23,.09,;-4.64,.72,;-5.89,-.19,;-1.99,1,;-1.99,2.54,;-.52,3.01,;.38,1.77,;1.92,1.77,;3.01,.68,;4.1,1.77,;3.01,2.86,;5.64,1.77,;6.41,3.1,;5.64,4.43,;7.95,3.1,;8.72,4.43,;10.26,4.43,;11.03,3.1,;10.26,1.77,;11.03,.43,;10.26,-.9,;8.72,-.9,;7.95,.43,;8.72,1.77,;-.52,.52,;-.05,-.94,;-1.08,-2.09,;-.6,-3.55,;.9,-3.87,;1.94,-2.73,;1.46,-1.26,;2.49,-.12,)|

BDBM657084

CCOc1ccc(nc1)-c1nnc(n1-c1ccccc1)C12CC(C1)(C2)NC(=O)c1ccnc2cccnc12

BDBM50579957

Fc1ccccc1-n1c(nnc1-c1cnccn1)[C@H]1C[C@@H](C1)NC(=O)c1ccccn1 |r,wU:20.25,wD:18.20,(25.66,-37.04,;25.04,-38.44,;25.94,-39.68,;25.32,-41.09,;23.79,-41.25,;22.89,-40.01,;23.52,-38.6,;22.62,-37.37,;23.1,-35.9,;21.84,-34.99,;20.61,-35.9,;21.08,-37.37,;20.18,-38.6,;20.8,-40,;19.9,-41.24,;18.37,-41.08,;17.75,-39.67,;18.65,-38.44,;24.56,-35.42,;25.93,-36.12,;26.64,-34.75,;25.26,-34.04,;28.11,-34.28,;28.43,-32.77,;27.28,-31.73,;29.89,-32.29,;30.2,-30.78,;31.67,-30.3,;32.82,-31.33,;32.5,-32.84,;31.04,-33.32,)|

BDBM657086

CCOc1ccc(nc1)-c1nnc([C@H]2C[C@@H](C2)NC(=O)c2cccc(n2)C#N)n1-c1ccccc1F |r,wU:15.18,wD:13.13,(-10.71,-3.18,;-9.47,-2.28,;-8.06,-2.9,;-6.81,-2,;-5.41,-2.63,;-4.16,-1.72,;-4.32,-.19,;-5.73,.44,;-6.97,-.47,;-3.08,.72,;-3.08,2.26,;-1.61,2.73,;-.71,1.49,;.83,1.49,;1.92,.4,;3.01,1.49,;1.92,2.58,;4.55,1.49,;5.32,2.82,;4.55,4.15,;6.86,2.82,;7.63,4.15,;9.17,4.15,;9.94,2.82,;9.17,1.49,;7.63,1.49,;9.94,.15,;10.71,-1.18,;-1.61,.24,;-1.14,-1.22,;-2.17,-2.37,;-1.69,-3.83,;-.18,-4.15,;.85,-3.01,;.37,-1.54,;1.4,-.4,)|

BDBM657087

O=C(N[C@H]1C[C@@H](C1)c1nnc(-c2nccs2)n1-c1ccccn1)c1cccc2cccnc12 |r,wU:3.2,wD:5.7,(2.97,4.17,;3.71,2.82,;2.94,1.48,;1.4,1.48,;.34,.36,;-.78,1.41,;.27,2.53,;-2.32,1.44,;-3.23,2.69,;-4.69,2.21,;-4.69,.67,;-5.96,-.2,;-7.42,.27,;-8.33,-.97,;-7.42,-2.22,;-5.96,-1.74,;-3.23,.2,;-2.73,-1.26,;-3.73,-2.43,;-3.23,-3.88,;-1.71,-4.17,;-.71,-3,;-1.22,-1.55,;5.25,2.82,;6.02,4.15,;7.56,4.15,;8.33,2.82,;7.56,1.48,;8.33,.15,;7.56,-1.18,;6.02,-1.18,;5.25,.15,;6.02,1.48,)|

BDBM657088

Fc1cnc2c(ccnc2c1)C(=O)N[C@H]1C[C@@H](C1)c1nnc(-c2nccs2)n1-c1ccccn1 |r,wU:14.15,wD:16.20,(8.33,-2.52,;7.56,-1.18,;6.02,-1.18,;5.25,.15,;6.02,1.48,;5.25,2.82,;6.02,4.15,;7.56,4.15,;8.33,2.82,;7.56,1.48,;8.33,.15,;3.71,2.82,;2.97,4.17,;2.94,1.48,;1.4,1.48,;.34,.36,;-.78,1.41,;.27,2.53,;-2.32,1.44,;-3.23,2.69,;-4.69,2.21,;-4.69,.67,;-5.96,-.2,;-7.42,.27,;-8.33,-.97,;-7.42,-2.22,;-5.96,-1.74,;-3.23,.2,;-2.73,-1.26,;-3.73,-2.43,;-3.23,-3.88,;-1.71,-4.17,;-.71,-3,;-1.22,-1.55,)|

BDBM657089

CCOc1ccc(nc1)-c1nnc(n1-c1ccccc1)C12CC(C1)(C2)NC(=O)c1ccnc2cc(F)cnc12

BDBM657090

CCOc1ccc(nc1)-c1nnc(n1-c1ccccc1)C12CC(C1)(C2)NC(=O)c1ccccn1

BDBM657091

CCOc1ccc(nc1)-c1nnc(n1-c1ccc(C)s1)C12CC(C1)(C2)NC(=O)c1ccnc2cc(F)cnc12

BDBM50579972

CCOc1ccc(nc1)-c1nnc([C@H]2C[C@@H](C2)NC(=O)c2ccnc3cc(F)cnc23)n1-c1ccc(C)s1 |r,wU:15.18,wD:13.13,(36.79,-41.23,;37.68,-40,;39.2,-40.16,;40.1,-38.92,;41.62,-39.08,;42.51,-37.85,;41.89,-36.46,;40.37,-36.3,;39.48,-37.53,;42.79,-35.24,;42.31,-33.76,;43.56,-32.85,;44.82,-33.76,;46.29,-33.28,;47.66,-33.98,;48.37,-32.61,;46.99,-31.9,;49.84,-32.13,;50.17,-30.62,;49.01,-29.58,;51.64,-30.14,;51.95,-28.62,;53.42,-28.14,;54.58,-29.17,;54.26,-30.69,;55.4,-31.72,;55.08,-33.23,;56.22,-34.24,;53.61,-33.71,;52.46,-32.68,;52.79,-31.17,;44.34,-35.24,;45.23,-36.47,;44.76,-37.92,;45.99,-38.82,;47.23,-37.92,;48.68,-38.39,;46.76,-36.47,)|

BDBM657093

CS(=O)(=O)c1ccc(nc1)-c1nnc([C@H]2C[C@@H](C2)NC(=O)c2ccnc3cc(F)cnc23)n1-c1ccccc1F |r,wU:16.19,wD:14.14,(-9.62,-3.77,;-8.38,-2.86,;-7.61,-4.2,;-9.15,-1.53,;-7.13,-1.96,;-5.72,-2.58,;-4.48,-1.68,;-4.64,-.15,;-6.05,.48,;-7.29,-.43,;-3.39,.76,;-3.39,2.3,;-1.93,2.77,;-1.02,1.53,;.52,1.53,;1.6,.44,;2.69,1.53,;1.6,2.62,;4.23,1.53,;5,2.86,;4.23,4.2,;6.54,2.86,;7.31,4.2,;8.85,4.2,;9.62,2.86,;8.85,1.53,;9.62,.19,;8.85,-1.14,;9.62,-2.47,;7.31,-1.14,;6.54,.19,;7.31,1.53,;-1.93,.28,;-1.45,-1.18,;-2.48,-2.33,;-2.01,-3.79,;-.5,-4.11,;.53,-2.97,;.05,-1.5,;1.08,-.36,)|

BDBM657094

CCOc1ccc(nc1)-c1nnc([C@H]2C[C@@H](C2)NC(=O)c2ccc3ncccc3n2)n1-c1ccccc1F |r,wU:15.18,wD:13.13,(-11.48,-3.18,;-10.24,-2.28,;-8.83,-2.9,;-7.58,-2,;-6.18,-2.63,;-4.93,-1.72,;-5.09,-.19,;-6.5,.44,;-7.74,-.47,;-3.85,.72,;-3.85,2.26,;-2.38,2.73,;-1.48,1.49,;.06,1.49,;1.15,.4,;2.24,1.49,;1.15,2.58,;3.78,1.49,;4.55,2.82,;3.78,4.15,;6.09,2.82,;6.86,4.15,;8.4,4.15,;9.17,2.82,;10.71,2.82,;11.48,1.49,;10.71,.15,;9.17,.15,;8.4,1.49,;6.86,1.49,;-2.38,.24,;-1.91,-1.22,;-2.94,-2.37,;-2.46,-3.83,;-.95,-4.15,;.08,-3.01,;-.4,-1.54,;.63,-.4,)|

BDBM657095

CCOc1ccc(nc1)-c1nnc([C@H]2C[C@@H](C2)NC(=O)c2ccc3cnccc3n2)n1-c1ccccc1F |r,wU:15.18,wD:13.13,(-11.48,-3.18,;-10.24,-2.28,;-8.83,-2.9,;-7.58,-2,;-6.18,-2.63,;-4.93,-1.72,;-5.09,-.19,;-6.5,.44,;-7.74,-.47,;-3.85,.72,;-3.85,2.26,;-2.38,2.73,;-1.48,1.49,;.06,1.49,;1.15,.4,;2.24,1.49,;1.15,2.58,;3.78,1.49,;4.55,2.82,;3.78,4.15,;6.09,2.82,;6.86,4.15,;8.4,4.15,;9.17,2.82,;10.71,2.82,;11.48,1.49,;10.71,.15,;9.17,.15,;8.4,1.49,;6.86,1.49,;-2.38,.24,;-1.91,-1.22,;-2.94,-2.37,;-2.46,-3.83,;-.95,-4.15,;.08,-3.01,;-.4,-1.54,;.63,-.4,)|

BDBM657096

CCOc1ccc(nc1)-c1nnc([C@H]2C[C@@H](C2)NC(=O)c2ccc3cc[nH]c3n2)n1-c1ccccc1F |r,wU:15.18,wD:13.13,(-11.16,-3.18,;-9.91,-2.28,;-8.51,-2.9,;-7.26,-2,;-5.86,-2.63,;-4.61,-1.72,;-4.77,-.19,;-6.18,.44,;-7.42,-.47,;-3.52,.72,;-3.52,2.26,;-2.06,2.73,;-1.15,1.49,;.39,1.49,;1.47,.4,;2.56,1.49,;1.47,2.58,;4.1,1.49,;4.87,2.82,;4.1,4.15,;6.41,2.82,;7.18,4.15,;8.72,4.15,;9.49,2.82,;11,2.5,;11.16,.97,;9.75,.34,;8.72,1.49,;7.18,1.49,;-2.06,.24,;-1.58,-1.22,;-2.61,-2.37,;-2.14,-3.83,;-.63,-4.15,;.4,-3.01,;-.08,-1.54,;.95,-.4,)|

BDBM657097

CCOc1ccc(nc1)-c1nnc([C@H]2C[C@@H](C2)NC(=O)c2cc3ccccc3cn2)n1-c1ccccc1F |r,wU:15.18,wD:13.13,(-11.48,-3.85,;-10.24,-2.95,;-8.83,-3.57,;-7.58,-2.67,;-6.18,-3.29,;-4.93,-2.39,;-5.09,-.86,;-6.5,-.23,;-7.74,-1.13,;-3.85,.05,;-3.85,1.59,;-2.38,2.07,;-1.48,.82,;.06,.82,;1.15,-.27,;2.24,.82,;1.15,1.91,;3.78,.82,;4.55,2.15,;3.78,3.49,;6.09,2.15,;6.86,3.49,;8.4,3.49,;9.17,4.82,;10.71,4.82,;11.48,3.49,;10.71,2.15,;9.17,2.15,;8.4,.82,;6.86,.82,;-2.38,-.43,;-1.91,-1.89,;-2.94,-3.04,;-2.46,-4.5,;-.95,-4.82,;.08,-3.68,;-.4,-2.21,;.63,-1.07,)|

BDBM50579973

CCOc1ccc(nc1)-c1nnc([C@H]2C[C@@H](C2)NC(=O)c2cccc3cccnc23)n1-c1ccc(C)s1 |r,wU:15.18,wD:13.13,(55.93,-41.05,;56.82,-39.82,;58.34,-39.97,;59.23,-38.74,;60.76,-38.9,;61.65,-37.67,;61.03,-36.28,;59.51,-36.12,;58.61,-37.35,;61.93,-35.05,;61.45,-33.58,;62.7,-32.67,;63.95,-33.58,;65.42,-33.09,;66.79,-33.8,;67.5,-32.43,;66.12,-31.72,;68.98,-31.95,;69.3,-30.44,;68.15,-29.4,;70.78,-29.96,;71.08,-28.44,;72.55,-27.96,;73.71,-29,;73.39,-30.51,;74.53,-31.54,;74.22,-33.05,;72.74,-33.53,;71.6,-32.5,;71.92,-30.99,;63.47,-35.05,;64.37,-36.29,;63.9,-37.74,;65.13,-38.63,;66.36,-37.74,;67.81,-38.21,;65.89,-36.29,)|

BDBM657099

CCOc1ccc(nc1)-c1nnc([C@H]2C[C@@H](C2)NC(=O)c2nc3ccccc3[nH]2)n1-c1ccccc1 |r,wU:15.18,wD:13.13,(-11.31,-3.29,;-10.06,-2.38,;-8.65,-3.01,;-7.41,-2.1,;-6,-2.73,;-4.75,-1.82,;-4.92,-.29,;-6.32,.33,;-7.57,-.57,;-3.67,.61,;-3.67,2.15,;-2.2,2.63,;-1.3,1.38,;.24,1.38,;1.33,.29,;2.42,1.38,;1.33,2.47,;3.96,1.38,;4.73,2.72,;3.96,4.05,;6.27,2.72,;7.17,3.96,;8.64,3.49,;9.97,4.26,;11.31,3.49,;11.31,1.95,;9.97,1.18,;8.64,1.95,;7.17,1.47,;-2.2,.14,;-1.73,-1.33,;-2.76,-2.47,;-2.28,-3.94,;-.78,-4.26,;.25,-3.11,;-.22,-1.65,)|

BDBM657100

CCOc1ccc(nc1)C(=O)N[C@H]1C[C@@H](C1)c1nnc(-c2ccncn2)n1-c1ccccc1Cl |r,wU:12.12,wD:14.17,(10.38,4.15,;8.84,4.15,;8.07,2.82,;6.53,2.82,;5.76,4.15,;4.22,4.15,;3.45,2.82,;4.22,1.49,;5.76,1.49,;1.91,2.82,;1.14,4.15,;1.14,1.49,;-.4,1.49,;-1.49,.4,;-2.57,1.49,;-1.49,2.58,;-4.11,1.49,;-5.02,2.73,;-6.48,2.26,;-6.48,.72,;-7.73,-.19,;-7.57,-1.72,;-8.82,-2.63,;-10.22,-2,;-10.38,-.47,;-9.14,.44,;-5.02,.24,;-4.54,-1.22,;-5.57,-2.37,;-5.1,-3.83,;-3.59,-4.15,;-2.56,-3.01,;-3.04,-1.54,;-2.01,-.4,)|

BDBM657101

COc1ccc(nc1)C(=O)N[C@H]1C[C@@H](C1)c1nnc(-c2ccncn2)n1-c1ccccc1Cl |r,wU:11.11,wD:13.16,(9.61,4.15,;8.84,2.82,;7.3,2.82,;6.53,4.15,;4.99,4.15,;4.22,2.82,;4.99,1.49,;6.53,1.49,;2.68,2.82,;1.91,4.15,;1.91,1.49,;.37,1.49,;-.72,.4,;-1.8,1.49,;-.72,2.58,;-3.34,1.49,;-4.25,2.73,;-5.71,2.26,;-5.71,.72,;-6.96,-.19,;-6.8,-1.72,;-8.05,-2.63,;-9.45,-2,;-9.61,-.47,;-8.37,.44,;-4.25,.24,;-3.77,-1.22,;-4.8,-2.37,;-4.33,-3.83,;-2.82,-4.15,;-1.79,-3.01,;-2.27,-1.54,;-1.24,-.4,)|

BDBM657102

Clc1ccccc1-n1c(nnc1-c1ccncn1)[C@H]1C[C@@H](C1)NC(=O)c1cccc(c1)C#N |r,wU:20.25,wD:18.20,(-.47,-.4,;-1.5,-1.54,;-1.02,-3.01,;-2.05,-4.15,;-3.56,-3.83,;-4.03,-2.37,;-3,-1.22,;-3.48,.24,;-2.57,1.49,;-3.48,2.73,;-4.94,2.26,;-4.94,.72,;-6.19,-.19,;-6.03,-1.72,;-7.28,-2.63,;-8.68,-2,;-8.84,-.47,;-7.6,.44,;-1.03,1.49,;.05,.4,;1.14,1.49,;.05,2.58,;2.68,1.49,;3.45,2.82,;2.68,4.15,;4.99,2.82,;5.76,4.15,;7.3,4.15,;8.07,2.82,;7.3,1.49,;5.76,1.49,;8.07,.15,;8.84,-1.18,)|

BDBM657103

CCOc1ccc(nc1)-c1nnc([C@H]2C[C@@H](C2)NC(=O)c2ccccn2)n1-c1ccccc1Cl |r,wU:15.18,wD:13.13,(-10.33,-3.18,;-9.08,-2.28,;-7.67,-2.9,;-6.43,-2,;-5.02,-2.63,;-3.78,-1.72,;-3.94,-.19,;-5.34,.44,;-6.59,-.47,;-2.69,.72,;-2.69,2.26,;-1.23,2.73,;-.32,1.49,;1.22,1.49,;2.31,.4,;3.4,1.49,;2.31,2.58,;4.94,1.49,;5.71,2.82,;4.94,4.15,;7.25,2.82,;8.02,4.15,;9.56,4.15,;10.33,2.82,;9.56,1.49,;8.02,1.49,;-1.23,.24,;-.75,-1.22,;-1.78,-2.37,;-1.3,-3.83,;.2,-4.15,;1.23,-3.01,;.76,-1.54,;1.79,-.4,)|

BDBM657104

CCOc1ccc(nc1)-c1nnc([C@H]2C[C@@H](C2)NC(=O)c2ccccc2)n1-c1ccccc1Cl |r,wU:15.18,wD:13.13,(-10.33,-3.18,;-9.08,-2.28,;-7.67,-2.9,;-6.43,-2,;-5.02,-2.63,;-3.78,-1.72,;-3.94,-.19,;-5.34,.44,;-6.59,-.47,;-2.69,.72,;-2.69,2.26,;-1.23,2.73,;-.32,1.49,;1.22,1.49,;2.31,.4,;3.4,1.49,;2.31,2.58,;4.94,1.49,;5.71,2.82,;4.94,4.15,;7.25,2.82,;8.02,1.49,;9.56,1.49,;10.33,2.82,;9.56,4.15,;8.02,4.15,;-1.23,.24,;-.75,-1.22,;-1.78,-2.37,;-1.3,-3.83,;.2,-4.15,;1.23,-3.01,;.76,-1.54,;1.79,-.4,)|

BDBM657105

CCOc1ccc(nc1)-c1nnc([C@H]2C[C@@H](C2)NC(=O)c2ccc(F)cc2)n1-c1ccccc1Cl |r,wU:15.18,wD:13.13,(-11.1,-3.18,;-9.85,-2.28,;-8.44,-2.9,;-7.2,-2,;-5.79,-2.63,;-4.55,-1.72,;-4.71,-.19,;-6.11,.44,;-7.36,-.47,;-3.46,.72,;-3.46,2.26,;-2,2.73,;-1.09,1.49,;.45,1.49,;1.54,.4,;2.63,1.49,;1.54,2.58,;4.17,1.49,;4.94,2.82,;4.17,4.15,;6.48,2.82,;7.25,1.49,;8.79,1.49,;9.56,2.82,;11.1,2.82,;8.79,4.15,;7.25,4.15,;-2,.24,;-1.52,-1.22,;-2.55,-2.37,;-2.07,-3.83,;-.57,-4.15,;.46,-3.01,;-.01,-1.54,;1.02,-.4,)|

BDBM657106

COc1ccc(nc1)-c1nnc([C@H]2C[C@@H](C2)NC(=O)c2ccccn2)n1-c1ccccc1F |r,wU:14.17,wD:12.12,(-9,-2.28,;-7.59,-2.9,;-6.35,-2,;-4.94,-2.63,;-3.7,-1.72,;-3.86,-.19,;-5.26,.44,;-6.51,-.47,;-2.61,.72,;-2.61,2.26,;-1.15,2.73,;-.24,1.49,;1.3,1.49,;2.39,.4,;3.48,1.49,;2.39,2.58,;5.02,1.49,;5.79,2.82,;5.02,4.15,;7.33,2.82,;8.1,4.15,;9.64,4.15,;10.41,2.82,;9.64,1.49,;8.1,1.49,;-1.15,.24,;-.67,-1.22,;-1.7,-2.37,;-1.22,-3.83,;.28,-4.15,;1.31,-3.01,;.84,-1.54,;1.87,-.4,)|

BDBM50579954

Fc1ccccc1-n1c(nnc1-c1ccc(OC2CC2)cn1)[C@H]1C[C@@H](C1)NC(=O)c1ccccn1 |r,wU:24.30,wD:22.25,(46.74,-21,;46.12,-22.41,;47.02,-23.64,;46.4,-25.05,;44.87,-25.21,;43.97,-23.97,;44.6,-22.57,;43.7,-21.33,;44.18,-19.86,;42.92,-18.95,;41.68,-19.86,;42.15,-21.33,;41.26,-22.57,;41.88,-23.96,;40.98,-25.2,;39.44,-25.04,;38.54,-26.29,;37.01,-26.12,;35.77,-25.22,;35.61,-26.75,;38.82,-23.64,;39.73,-22.4,;45.64,-19.38,;47.01,-20.09,;47.72,-18.71,;46.34,-18,;49.19,-18.24,;49.51,-16.73,;48.36,-15.69,;50.98,-16.25,;51.29,-14.74,;52.75,-14.25,;53.91,-15.29,;53.59,-16.8,;52.12,-17.28,)|

BDBM50579955

CC(C)Oc1ccc(nc1)-c1nnc([C@H]2C[C@@H](C2)NC(=O)c2ccccn2)n1-c1ccccc1F |r,wU:16.19,wD:14.14,(56.07,-26.96,;56.97,-25.72,;56.35,-24.32,;58.5,-25.88,;59.4,-24.64,;60.94,-24.8,;61.83,-23.56,;61.21,-22.16,;59.68,-22,;58.78,-23.24,;62.11,-20.93,;61.64,-19.46,;62.88,-18.54,;64.13,-19.46,;65.59,-18.98,;66.97,-19.68,;67.68,-18.31,;66.3,-17.6,;69.15,-17.83,;69.47,-16.32,;68.32,-15.29,;70.94,-15.84,;71.24,-14.33,;72.71,-13.85,;73.87,-14.88,;73.55,-16.4,;72.08,-16.88,;63.65,-20.93,;64.55,-22.17,;63.92,-23.57,;64.83,-24.81,;66.35,-24.65,;66.98,-23.24,;66.07,-22,;66.69,-20.6,)|

BDBM657109

CCOc1ccc(nc1)-c1nnc([C@H]2C[C@@H](C2)NC(=O)c2cccc(n2)C(C)O)n1-c1ccccc1F |r,wU:15.18,wD:13.13,(-11.1,-3.18,;-9.85,-2.28,;-8.44,-2.9,;-7.2,-2,;-5.79,-2.63,;-4.55,-1.72,;-4.71,-.19,;-6.11,.44,;-7.36,-.47,;-3.46,.72,;-3.46,2.26,;-2,2.73,;-1.09,1.49,;.45,1.49,;1.54,.4,;2.63,1.49,;1.54,2.58,;4.17,1.49,;4.94,2.82,;4.17,4.15,;6.48,2.82,;7.25,4.15,;8.79,4.15,;9.56,2.82,;8.79,1.49,;7.25,1.49,;9.56,.15,;11.1,.15,;8.79,-1.18,;-2,.24,;-1.52,-1.22,;-2.55,-2.37,;-2.07,-3.83,;-.57,-4.15,;.46,-3.01,;-.01,-1.54,;1.02,-.4,)|

BDBM657110

CCOc1ccc(nc1)-c1nnc([C@H]2C[C@@H](C2)NC(=O)c2cc3ncccc3[nH]2)n1-c1ccccc1F |r,wU:15.18,wD:13.13,(-11.31,-3.29,;-10.06,-2.38,;-8.65,-3.01,;-7.41,-2.1,;-6,-2.73,;-4.75,-1.82,;-4.91,-.29,;-6.32,.33,;-7.57,-.57,;-3.67,.61,;-3.67,2.15,;-2.2,2.63,;-1.3,1.38,;.24,1.38,;1.33,.29,;2.42,1.38,;1.33,2.47,;3.96,1.38,;4.73,2.72,;3.96,4.05,;6.27,2.72,;7.17,1.47,;8.64,1.95,;9.97,1.18,;11.31,1.95,;11.31,3.49,;9.97,4.26,;8.64,3.49,;7.17,3.96,;-2.2,.14,;-1.73,-1.33,;-2.76,-2.47,;-2.28,-3.94,;-.78,-4.26,;.25,-3.11,;-.22,-1.65,;.81,-.5,)|

BDBM657111

CCOc1ccc(nc1)-c1nnc([C@H]2C[C@@H](C2)NC(=O)c2cc3cnccc3[nH]2)n1-c1ccccc1F |r,wU:15.18,wD:13.13,(-11.31,-3.29,;-10.06,-2.38,;-8.65,-3.01,;-7.41,-2.1,;-6,-2.73,;-4.75,-1.82,;-4.92,-.29,;-6.32,.33,;-7.57,-.57,;-3.67,.61,;-3.67,2.15,;-2.2,2.63,;-1.3,1.38,;.24,1.38,;1.33,.29,;2.42,1.38,;1.33,2.47,;3.96,1.38,;4.73,2.72,;3.96,4.05,;6.27,2.72,;7.17,1.47,;8.64,1.95,;9.97,1.18,;11.31,1.95,;11.31,3.49,;9.97,4.26,;8.64,3.49,;7.17,3.96,;-2.2,.14,;-1.73,-1.33,;-2.76,-2.47,;-2.28,-3.94,;-.78,-4.26,;.25,-3.11,;-.22,-1.65,;.81,-.5,)|

BDBM657112

CCOc1ccc(nc1)-c1nnc([C@H]2C[C@@H](C2)NC(=O)c2cc3cccnc3[nH]2)n1-c1ccccc1F |r,wU:15.18,wD:13.13,(-11.31,-3.29,;-10.06,-2.38,;-8.65,-3.01,;-7.41,-2.1,;-6,-2.73,;-4.75,-1.82,;-4.91,-.29,;-6.32,.33,;-7.57,-.57,;-3.67,.61,;-3.67,2.15,;-2.2,2.63,;-1.3,1.38,;.24,1.38,;1.33,.29,;2.42,1.38,;1.33,2.47,;3.96,1.38,;4.73,2.72,;3.96,4.05,;6.27,2.72,;7.17,1.47,;8.64,1.95,;9.97,1.18,;11.31,1.95,;11.31,3.49,;9.97,4.26,;8.64,3.49,;7.17,3.96,;-2.2,.14,;-1.73,-1.33,;-2.76,-2.47,;-2.28,-3.94,;-.78,-4.26,;.25,-3.11,;-.22,-1.65,;.81,-.5,)|

BDBM657113

CCOc1ccc(nc1)-c1nnc([C@H]2C[C@@H](C2)NC(=O)c2cc3sccc3[nH]2)n1-c1ccccc1F |r,wU:15.18,wD:13.13,(-11.16,-3.18,;-9.91,-2.28,;-8.5,-2.9,;-7.26,-2,;-5.85,-2.63,;-4.61,-1.72,;-4.77,-.19,;-6.17,.44,;-7.42,-.47,;-3.52,.72,;-3.52,2.26,;-2.06,2.73,;-1.15,1.49,;.39,1.49,;1.48,.4,;2.57,1.49,;1.48,2.58,;4.11,1.49,;4.88,2.82,;4.11,4.15,;6.42,2.82,;7.32,1.57,;8.79,2.05,;10.25,1.57,;11.16,2.82,;10.25,4.07,;8.79,3.59,;7.32,4.07,;-2.06,.24,;-1.58,-1.22,;-2.61,-2.37,;-2.13,-3.83,;-.63,-4.15,;.4,-3.01,;-.07,-1.54,;.96,-.4,)|

BDBM657114

CCOc1ccc(nc1)-c1nnc([C@H]2C[C@@H](C2)NC(=O)c2cc3sc(C)cc3[nH]2)n1-c1ccccc1F |r,wU:15.18,wD:13.13,(-11.93,-3.18,;-10.68,-2.28,;-9.27,-2.9,;-8.03,-2,;-6.62,-2.63,;-5.38,-1.72,;-5.54,-.19,;-6.94,.44,;-8.19,-.47,;-4.29,.72,;-4.29,2.26,;-2.83,2.73,;-1.92,1.49,;-.38,1.49,;.71,.4,;1.8,1.49,;.71,2.58,;3.34,1.49,;4.11,2.82,;3.34,4.15,;5.65,2.82,;6.55,1.57,;8.02,2.05,;9.48,1.57,;10.39,2.82,;11.93,2.82,;9.48,4.07,;8.02,3.59,;6.55,4.07,;-2.83,.24,;-2.35,-1.22,;-3.38,-2.37,;-2.9,-3.83,;-1.4,-4.15,;-.37,-3.01,;-.84,-1.54,;.19,-.4,)|

BDBM657116

CCOc1ccc(nc1)-c1nnc([C@H]2C[C@@H](C2)NC(=O)c2cc(C)nc3ncnn23)n1-c1ccccc1F |r,wU:15.18,wD:13.13,(-10.33,-3.85,;-9.08,-2.95,;-7.67,-3.57,;-6.43,-2.67,;-5.02,-3.29,;-3.78,-2.39,;-3.94,-.86,;-5.34,-.23,;-6.59,-1.13,;-2.69,.05,;-2.69,1.59,;-1.23,2.07,;-.32,.82,;1.22,.82,;2.31,-.27,;3.4,.82,;2.31,1.91,;4.94,.82,;5.71,2.15,;4.94,3.49,;7.25,2.15,;8.02,3.49,;9.56,3.49,;10.33,4.82,;10.33,2.15,;9.56,.82,;10.03,-.65,;8.79,-1.55,;7.54,-.65,;8.02,.82,;-1.23,-.43,;-.75,-1.89,;-1.78,-3.04,;-1.3,-4.5,;.2,-4.82,;1.23,-3.68,;.76,-2.21,;1.79,-1.07,)|

BDBM50579975

CCOc1ccc(nc1)-c1nnc([C@H]2C[C@@H](C2)NC(=O)c2cc(F)cc3nccnc23)n1-c1ccccc1F |r,wU:15.18,wD:13.13,(18.78,-58.1,;19.67,-56.87,;21.19,-57.02,;22.09,-55.79,;23.61,-55.95,;24.5,-54.72,;23.88,-53.33,;22.36,-53.17,;21.47,-54.4,;24.78,-52.1,;24.3,-50.63,;25.55,-49.72,;26.81,-50.63,;28.27,-50.14,;29.65,-50.85,;30.35,-49.48,;28.98,-48.77,;31.83,-49,;32.15,-47.49,;31,-46.45,;33.63,-47.01,;33.94,-45.49,;35.4,-45.01,;35.71,-43.52,;36.56,-46.04,;36.24,-47.56,;37.38,-48.59,;37.07,-50.1,;35.59,-50.58,;34.45,-49.55,;34.77,-48.04,;26.33,-52.1,;27.22,-53.34,;26.59,-54.73,;27.49,-55.96,;29.01,-55.8,;29.63,-54.4,;28.73,-53.17,;29.34,-51.77,)|

BDBM657118

CCOc1ccc(nc1)-c1nnc([C@H]2C[C@@H](C2)NC(=O)c2cccc(n2)C(C)(C)O)n1-c1ccccc1F |r,wU:15.18,wD:13.13,(-11.1,-3.18,;-9.85,-2.28,;-8.44,-2.9,;-7.2,-2,;-5.79,-2.63,;-4.55,-1.72,;-4.71,-.19,;-6.11,.44,;-7.36,-.47,;-3.46,.72,;-3.46,2.26,;-2,2.73,;-1.09,1.49,;.45,1.49,;1.54,.4,;2.63,1.49,;1.54,2.58,;4.17,1.49,;4.94,2.82,;4.17,4.15,;6.48,2.82,;7.25,4.15,;8.79,4.15,;9.56,2.82,;8.79,1.49,;7.25,1.49,;9.56,.15,;11.1,.15,;10.33,-1.18,;8.79,-1.18,;-2,.24,;-1.52,-1.22,;-2.55,-2.37,;-2.07,-3.83,;-.57,-4.15,;.46,-3.01,;-.01,-1.54,;1.02,-.4,)|

BDBM657119

CCOc1ccc(nc1)-c1nnc([C@H]2C[C@@H](C2)NC(=O)c2cccc3cc[nH]c23)n1-c1ccccc1F |r,wU:15.18,wD:13.13,(-10.33,-3.18,;-9.08,-2.28,;-7.67,-2.9,;-6.43,-2,;-5.02,-2.63,;-3.78,-1.72,;-3.94,-.19,;-5.34,.44,;-6.59,-.47,;-2.69,.72,;-2.69,2.26,;-1.23,2.73,;-.32,1.49,;1.22,1.49,;2.31,.4,;3.4,1.49,;2.31,2.58,;4.94,1.49,;5.71,2.82,;4.94,4.15,;7.25,2.82,;8.02,4.15,;9.56,4.15,;10.33,2.82,;9.56,1.49,;10.03,.02,;8.79,-.88,;7.54,.02,;8.02,1.49,;-1.23,.24,;-.75,-1.22,;-1.78,-2.37,;-1.3,-3.83,;.2,-4.15,;1.23,-3.01,;.76,-1.54,;1.79,-.4,)|

BDBM657120

CCOc1ccc(nc1)-c1nnc([C@H]2C[C@@H](C2)NC(=O)c2cccc3OCCOc23)n1-c1ccccc1F |r,wU:15.18,wD:13.13,(-10.33,-3.18,;-9.08,-2.28,;-7.67,-2.9,;-6.43,-2,;-5.02,-2.63,;-3.78,-1.72,;-3.94,-.19,;-5.34,.44,;-6.59,-.47,;-2.69,.72,;-2.69,2.26,;-1.23,2.73,;-.32,1.49,;1.22,1.49,;2.31,.4,;3.4,1.49,;2.31,2.58,;4.94,1.49,;5.71,2.82,;4.94,4.15,;7.25,2.82,;8.02,4.15,;9.56,4.15,;10.33,2.82,;9.56,1.49,;10.33,.15,;9.56,-1.18,;8.02,-1.18,;7.25,.15,;8.02,1.49,;-1.23,.24,;-.75,-1.22,;-1.78,-2.37,;-1.3,-3.83,;.2,-4.15,;1.23,-3.01,;.76,-1.54,;1.79,-.4,)|

BDBM657121

CCOc1ccc(nc1)-c1nnc([C@H]2C[C@@H](C2)NC(=O)c2ccn(C)n2)n1-c1ccccc1F |r,wU:15.18,wD:13.13,(-10.59,-3.18,;-9.35,-2.28,;-7.94,-2.9,;-6.7,-2,;-5.29,-2.63,;-4.04,-1.72,;-4.2,-.19,;-5.61,.44,;-6.86,-.47,;-2.96,.72,;-2.96,2.26,;-1.49,2.73,;-.59,1.49,;.95,1.49,;2.04,.4,;3.13,1.49,;2.04,2.58,;4.67,1.49,;5.44,2.82,;4.67,4.15,;6.98,2.82,;7.88,4.07,;9.35,3.59,;9.35,2.05,;10.59,1.14,;7.88,1.57,;-1.49,.24,;-1.02,-1.22,;-2.05,-2.37,;-1.57,-3.83,;-.07,-4.15,;.96,-3.01,;.49,-1.54,;1.52,-.4,)|

BDBM657122

CCOc1ccc(nc1)-c1nnc([C@H]2C[C@@H](C2)NC(=O)c2cn(C)cn2)n1-c1ccccc1F |r,wU:15.18,wD:13.13,(-10.59,-3.35,;-9.35,-2.45,;-7.94,-3.08,;-6.7,-2.17,;-5.29,-2.8,;-4.04,-1.89,;-4.2,-.36,;-5.61,.27,;-6.86,-.64,;-2.96,.55,;-2.96,2.09,;-1.49,2.56,;-.59,1.32,;.95,1.32,;2.04,.23,;3.13,1.32,;2.04,2.4,;4.67,1.32,;5.44,2.65,;4.67,3.98,;6.98,2.65,;7.88,3.89,;9.35,3.42,;10.59,4.32,;9.35,1.88,;7.88,1.4,;-1.49,.07,;-1.02,-1.4,;-2.05,-2.54,;-1.57,-4,;-.07,-4.32,;.96,-3.18,;.49,-1.72,;1.52,-.57,)|

BDBM657123

CCOc1ccc(nc1)-c1nnc([C@H]2C[C@@H](C2)NC(=O)c2cn3ccccc3n2)n1-c1ccccc1F |r,wU:15.18,wD:13.13,(-11.31,-3.29,;-10.06,-2.38,;-8.65,-3.01,;-7.41,-2.1,;-6,-2.73,;-4.75,-1.82,;-4.92,-.29,;-6.32,.33,;-7.57,-.57,;-3.67,.61,;-3.67,2.15,;-2.2,2.63,;-1.3,1.38,;.24,1.38,;1.33,.29,;2.42,1.38,;1.33,2.47,;3.96,1.38,;4.73,2.72,;3.96,4.05,;6.27,2.72,;7.17,3.96,;8.64,3.49,;9.97,4.26,;11.31,3.49,;11.31,1.95,;9.97,1.18,;8.64,1.95,;7.17,1.47,;-2.2,.14,;-1.73,-1.33,;-2.76,-2.47,;-2.28,-3.94,;-.78,-4.26,;.25,-3.11,;-.22,-1.65,;.81,-.5,)|

BDBM657124

CCOc1ccc(nc1)-c1nnc([C@H]2C[C@@H](C2)NC(=O)c2ccc(cn2)C(C)O)n1-c1ccccc1F |r,wU:15.18,wD:13.13,(-11.48,-3.18,;-10.24,-2.28,;-8.83,-2.9,;-7.58,-2,;-6.18,-2.63,;-4.93,-1.72,;-5.09,-.19,;-6.5,.44,;-7.74,-.47,;-3.85,.72,;-3.85,2.26,;-2.38,2.73,;-1.48,1.49,;.06,1.49,;1.15,.4,;2.24,1.49,;1.15,2.58,;3.78,1.49,;4.55,2.82,;3.78,4.15,;6.09,2.82,;6.86,4.15,;8.4,4.15,;9.17,2.82,;8.4,1.49,;6.86,1.49,;10.71,2.82,;11.48,4.15,;11.48,1.49,;-2.38,.24,;-1.91,-1.22,;-2.94,-2.37,;-2.46,-3.83,;-.95,-4.15,;.08,-3.01,;-.4,-1.54,;.63,-.4,)|

BDBM657125

CCOc1ccc(nc1)-c1nnc([C@H]2C[C@@H](C2)NC(=O)c2ccc(cn2)C(C)(C)O)n1-c1ccccc1F |r,wU:15.18,wD:13.13,(-11.87,-3.18,;-10.62,-2.28,;-9.21,-2.9,;-7.97,-2,;-6.56,-2.63,;-5.32,-1.72,;-5.48,-.19,;-6.88,.44,;-8.13,-.47,;-4.23,.72,;-4.23,2.26,;-2.77,2.73,;-1.86,1.49,;-.32,1.49,;.77,.4,;1.86,1.49,;.77,2.58,;3.4,1.49,;4.17,2.82,;3.4,4.15,;5.71,2.82,;6.48,4.15,;8.02,4.15,;8.79,2.82,;8.02,1.49,;6.48,1.49,;10.33,2.82,;11.1,4.15,;11.87,2.82,;11.1,1.49,;-2.77,.24,;-2.29,-1.22,;-3.32,-2.37,;-2.84,-3.83,;-1.34,-4.15,;-.31,-3.01,;-.78,-1.54,;.25,-.4,)|

BDBM657126

CCOc1ccc(nc1)-c1nnc([C@H]2C[C@@H](C2)NC(=O)c2cccc(C)n2)n1-c1ccccc1F |r,wU:15.18,wD:13.13,(-10.33,-3.18,;-9.08,-2.28,;-7.67,-2.9,;-6.43,-2,;-5.02,-2.63,;-3.78,-1.72,;-3.94,-.19,;-5.34,.44,;-6.59,-.47,;-2.69,.72,;-2.69,2.26,;-1.23,2.73,;-.32,1.49,;1.22,1.49,;2.31,.4,;3.4,1.49,;2.31,2.58,;4.94,1.49,;5.71,2.82,;4.94,4.15,;7.25,2.82,;8.02,4.15,;9.56,4.15,;10.33,2.82,;9.56,1.49,;10.33,.15,;8.02,1.49,;-1.23,.24,;-.75,-1.22,;-1.78,-2.37,;-1.3,-3.83,;.2,-4.15,;1.23,-3.01,;.76,-1.54,;1.79,-.4,)|

BDBM657127

CCOc1ccc(nc1)-c1nnc([C@H]2C[C@@H](C2)NC(=O)c2cccc(n2)C(F)(F)F)n1-c1ccccc1F |r,wU:15.18,wD:13.13,(-11.1,-3.18,;-9.85,-2.28,;-8.44,-2.9,;-7.2,-2,;-5.79,-2.63,;-4.55,-1.72,;-4.71,-.19,;-6.11,.44,;-7.36,-.47,;-3.46,.72,;-3.46,2.26,;-2,2.73,;-1.09,1.49,;.45,1.49,;1.54,.4,;2.63,1.49,;1.54,2.58,;4.17,1.49,;4.94,2.82,;4.17,4.15,;6.48,2.82,;7.25,4.15,;8.79,4.15,;9.56,2.82,;8.79,1.49,;7.25,1.49,;9.56,.15,;11.1,.15,;10.33,-1.18,;8.79,-1.18,;-2,.24,;-1.52,-1.22,;-2.55,-2.37,;-2.07,-3.83,;-.57,-4.15,;.46,-3.01,;-.01,-1.54,;1.02,-.4,)|

BDBM657128

CCOc1ccc(nc1)-c1nnc([C@H]2C[C@@H](C2)NC(=O)c2cc3ccncc3[nH]2)n1-c1ccccc1F |r,wU:15.18,wD:13.13,(-11.31,-3.29,;-10.06,-2.38,;-8.65,-3.01,;-7.41,-2.1,;-6,-2.73,;-4.75,-1.82,;-4.92,-.29,;-6.32,.33,;-7.57,-.57,;-3.67,.61,;-3.67,2.15,;-2.2,2.63,;-1.3,1.38,;.24,1.38,;1.33,.29,;2.42,1.38,;1.33,2.47,;3.96,1.38,;4.73,2.72,;3.96,4.05,;6.27,2.72,;7.17,3.96,;8.64,3.49,;9.97,4.26,;11.31,3.49,;11.31,1.95,;9.97,1.18,;8.64,1.95,;7.17,1.47,;-2.2,.14,;-1.73,-1.33,;-2.76,-2.47,;-2.28,-3.94,;-.78,-4.26,;.25,-3.11,;-.22,-1.65,;.81,-.5,)|

BDBM657129

CCOc1ccc(nc1)-c1nnc([C@H]2C[C@@H](C2)NC(=O)c2cc3cc(OC)ncc3[nH]2)n1-c1ccccc1F |r,wU:15.18,wD:13.13,(-12.64,-3.29,;-11.39,-2.38,;-9.99,-3.01,;-8.74,-2.1,;-7.33,-2.73,;-6.09,-1.82,;-6.25,-.29,;-7.66,.33,;-8.9,-.57,;-5,.61,;-5,2.15,;-3.54,2.63,;-2.63,1.38,;-1.09,1.38,;-0,.29,;1.08,1.38,;-0,2.47,;2.62,1.38,;3.39,2.72,;2.62,4.05,;4.93,2.72,;5.84,3.96,;7.3,3.49,;8.64,4.26,;9.97,3.49,;11.31,4.26,;12.64,3.49,;9.97,1.95,;8.64,1.18,;7.3,1.95,;5.84,1.47,;-3.54,.14,;-3.06,-1.33,;-4.09,-2.47,;-3.62,-3.94,;-2.11,-4.26,;-1.08,-3.11,;-1.56,-1.65,;-.53,-.5,)|

BDBM657130

CCOc1ccc(nc1)-c1nnc([C@H]2C[C@@H](C2)NC(=O)c2cc(C)ccn2)n1-c1ccccc1F |r,wU:15.18,wD:13.13,(-10.33,-3.85,;-9.08,-2.95,;-7.67,-3.57,;-6.43,-2.67,;-5.02,-3.29,;-3.78,-2.39,;-3.94,-.86,;-5.34,-.23,;-6.59,-1.13,;-2.69,.05,;-2.69,1.59,;-1.23,2.07,;-.32,.82,;1.22,.82,;2.31,-.27,;3.4,.82,;2.31,1.91,;4.94,.82,;5.71,2.15,;4.94,3.49,;7.25,2.15,;8.02,3.49,;9.56,3.49,;10.33,4.82,;10.33,2.15,;9.56,.82,;8.02,.82,;-1.23,-.43,;-.75,-1.89,;-1.78,-3.04,;-1.3,-4.5,;.2,-4.82,;1.23,-3.68,;.76,-2.21,;1.79,-1.07,)|

BDBM657131

CCOc1ccc(nc1)-c1nnc([C@H]2C[C@@H](C2)NC(=O)c2ncccc2C)n1-c1ccccc1F |r,wU:15.18,wD:13.13,(-10.33,-3.85,;-9.08,-2.95,;-7.67,-3.57,;-6.43,-2.67,;-5.02,-3.29,;-3.78,-2.39,;-3.94,-.86,;-5.34,-.23,;-6.59,-1.13,;-2.69,.05,;-2.69,1.59,;-1.23,2.07,;-.32,.82,;1.22,.82,;2.31,-.27,;3.4,.82,;2.31,1.91,;4.94,.82,;5.71,2.15,;4.94,3.49,;7.25,2.15,;8.02,.82,;9.56,.82,;10.33,2.15,;9.56,3.49,;8.02,3.49,;7.25,4.82,;-1.23,-.43,;-.75,-1.89,;-1.78,-3.04,;-1.3,-4.5,;.2,-4.82,;1.23,-3.68,;.76,-2.21,;1.79,-1.07,)|

BDBM657132

CCOc1ccc(nc1)-c1nnc([C@H]2C[C@@H](C2)NC(=O)c2ccc3ccccc3n2)n1-c1ccccc1F |r,wU:15.18,wD:13.13,(-11.48,-3.18,;-10.24,-2.28,;-8.83,-2.9,;-7.58,-2,;-6.18,-2.63,;-4.93,-1.72,;-5.09,-.19,;-6.5,.44,;-7.74,-.47,;-3.85,.72,;-3.85,2.26,;-2.38,2.73,;-1.48,1.49,;.06,1.49,;1.15,.4,;2.24,1.49,;1.15,2.58,;3.78,1.49,;4.55,2.82,;3.78,4.15,;6.09,2.82,;6.86,4.15,;8.4,4.15,;9.17,2.82,;10.71,2.82,;11.48,1.49,;10.71,.15,;9.17,.15,;8.4,1.49,;6.86,1.49,;-2.38,.24,;-1.91,-1.22,;-2.94,-2.37,;-2.46,-3.83,;-.95,-4.15,;.08,-3.01,;-.4,-1.54,;.63,-.4,)|

BDBM657133

CCOc1ccc(nc1)-c1nnc([C@H]2C[C@@H](C2)NC(=O)c2ccc3cccnc3n2)n1-c1ccccc1F |r,wU:15.18,wD:13.13,(-11.48,-3.18,;-10.24,-2.28,;-8.83,-2.9,;-7.58,-2,;-6.18,-2.63,;-4.93,-1.72,;-5.09,-.19,;-6.5,.44,;-7.74,-.47,;-3.85,.72,;-3.85,2.26,;-2.38,2.73,;-1.48,1.49,;.06,1.49,;1.15,.4,;2.24,1.49,;1.15,2.58,;3.78,1.49,;4.55,2.82,;3.78,4.15,;6.09,2.82,;6.86,4.15,;8.4,4.15,;9.17,2.82,;10.71,2.82,;11.48,1.49,;10.71,.15,;9.17,.15,;8.4,1.49,;6.86,1.49,;-2.38,.24,;-1.91,-1.22,;-2.94,-2.37,;-2.46,-3.83,;-.95,-4.15,;.08,-3.01,;-.4,-1.54,;.63,-.4,)|

BDBM657134

CCOc1ccc(nc1)-c1nnc([C@H]2C[C@@H](C2)NC(=O)c2ccc3cc(F)ccc3n2)n1-c1ccccc1F |r,wU:15.18,wD:13.13,(-12.25,-3.18,;-11.01,-2.28,;-9.6,-2.9,;-8.35,-2,;-6.95,-2.63,;-5.7,-1.72,;-5.86,-.19,;-7.27,.44,;-8.51,-.47,;-4.62,.72,;-4.62,2.26,;-3.15,2.73,;-2.25,1.49,;-.71,1.49,;.38,.4,;1.47,1.49,;.38,2.58,;3.01,1.49,;3.78,2.82,;3.01,4.15,;5.32,2.82,;6.09,4.15,;7.63,4.15,;8.4,2.82,;9.94,2.82,;10.71,1.49,;12.25,1.49,;9.94,.15,;8.4,.15,;7.63,1.49,;6.09,1.49,;-3.15,.24,;-2.68,-1.22,;-3.71,-2.37,;-3.23,-3.83,;-1.72,-4.15,;-.69,-3.01,;-1.17,-1.54,;-.14,-.4,)|

BDBM657135

CCOc1ccc(nc1)-c1nnc([C@H]2C[C@@H](C2)NC(=O)c2cccc3cn[nH]c23)n1-c1ccccc1F |r,wU:15.18,wD:13.13,(-10.33,-3.18,;-9.08,-2.28,;-7.67,-2.9,;-6.43,-2,;-5.02,-2.63,;-3.78,-1.72,;-3.94,-.19,;-5.34,.44,;-6.59,-.47,;-2.69,.72,;-2.69,2.26,;-1.23,2.73,;-.32,1.49,;1.22,1.49,;2.31,.4,;3.4,1.49,;2.31,2.58,;4.94,1.49,;5.71,2.82,;4.94,4.15,;7.25,2.82,;8.02,4.15,;9.56,4.15,;10.33,2.82,;9.56,1.49,;10.03,.02,;8.79,-.88,;7.54,.02,;8.02,1.49,;-1.23,.24,;-.75,-1.22,;-1.78,-2.37,;-1.3,-3.83,;.2,-4.15,;1.23,-3.01,;.76,-1.54,;1.79,-.4,)|

BDBM657136

CCOc1ccc(nc1)-c1nnc([C@H]2C[C@@H](C2)NC(=O)c2nn(C)c3ccccc23)n1-c1ccccc1F |r,wU:15.18,wD:13.13,(-10.6,-4.41,;-9.35,-3.5,;-7.94,-4.13,;-6.7,-3.22,;-5.29,-3.85,;-4.04,-2.95,;-4.2,-1.41,;-5.61,-.79,;-6.86,-1.69,;-2.96,-.51,;-2.96,1.03,;-1.49,1.51,;-.59,.26,;.95,.26,;2.04,-.83,;3.13,.26,;2.04,1.35,;4.67,.26,;5.44,1.6,;4.67,2.93,;6.98,1.6,;7.88,.35,;9.35,.83,;10.6,-.08,;9.35,2.37,;10.49,3.4,;10.17,4.9,;8.71,5.38,;7.56,4.35,;7.88,2.84,;-1.49,-.98,;-1.02,-2.45,;-2.05,-3.59,;-1.57,-5.06,;-.07,-5.38,;.96,-4.23,;.49,-2.77,;1.52,-1.62,)|

BDBM657137

CCOc1ccc(nc1)-c1nnc([C@H]2C[C@@H](C2)NC(=O)c2cc3occc3[nH]2)n1-c1ccccc1F |r,wU:15.18,wD:13.13,(-11.16,-3.18,;-9.91,-2.28,;-8.5,-2.9,;-7.26,-2,;-5.85,-2.63,;-4.61,-1.72,;-4.77,-.19,;-6.17,.44,;-7.42,-.47,;-3.52,.72,;-3.52,2.26,;-2.06,2.73,;-1.15,1.49,;.39,1.49,;1.48,.4,;2.57,1.49,;1.48,2.58,;4.11,1.49,;4.88,2.82,;4.11,4.15,;6.42,2.82,;7.32,1.57,;8.79,2.05,;10.25,1.57,;11.16,2.82,;10.25,4.07,;8.79,3.59,;7.32,4.07,;-2.06,.24,;-1.58,-1.22,;-2.61,-2.37,;-2.13,-3.83,;-.63,-4.15,;.4,-3.01,;-.07,-1.54,;.96,-.4,)|

BDBM657138

CCOc1ccc(nc1)-c1nnc([C@H]2C[C@@H](C2)NC(=O)c2ccnc3cccnc23)n1-c1ccccc1Cl |r,wU:15.18,wD:13.13,(-10.33,-3.18,;-9.08,-2.28,;-7.67,-2.9,;-6.43,-2,;-5.02,-2.63,;-3.78,-1.72,;-3.94,-.19,;-5.34,.44,;-6.59,-.47,;-2.69,.72,;-2.69,2.26,;-1.23,2.73,;-.32,1.49,;1.22,1.49,;2.31,.4,;3.4,1.49,;2.31,2.58,;4.94,1.49,;5.71,2.82,;4.94,4.15,;7.25,2.82,;8.02,4.15,;9.56,4.15,;10.33,2.82,;9.56,1.49,;10.33,.15,;9.56,-1.18,;8.02,-1.18,;7.25,.15,;8.02,1.49,;-1.23,.24,;-.75,-1.22,;-1.78,-2.37,;-1.3,-3.83,;.2,-4.15,;1.23,-3.01,;.76,-1.54,;1.79,-.4,)|

BDBM657139

CCOc1ccc(nc1)-c1nnc([C@H]2C[C@@H](C2)NC(=O)c2cccc3cc(F)cnc23)n1-c1ccccc1F |r,wU:15.18,wD:13.13,(-9.62,-2.9,;-8.38,-2,;-6.97,-2.62,;-5.72,-1.72,;-4.32,-2.35,;-3.07,-1.44,;-3.23,.09,;-4.64,.72,;-5.89,-.19,;-1.99,1,;-1.99,2.54,;-.52,3.01,;.38,1.77,;1.92,1.77,;3.01,.68,;4.1,1.77,;3.01,2.86,;5.64,1.77,;6.41,3.1,;5.64,4.43,;7.95,3.1,;8.72,4.43,;10.26,4.43,;11.03,3.1,;10.26,1.77,;11.03,.43,;10.26,-.9,;11.03,-2.23,;8.72,-.9,;7.95,.43,;8.72,1.77,;-.52,.52,;-.05,-.94,;-1.08,-2.09,;-.6,-3.55,;.9,-3.87,;1.94,-2.73,;1.46,-1.26,;2.49,-.12,)|

BDBM657140

CCOc1ccc(nc1)-c1nnc([C@H]2C[C@@H](C2)NC(=O)c2cccc3cccnc23)n1-c1cccc(Cl)c1 |r,wU:15.18,wD:13.13,(-10.33,-3.18,;-9.08,-2.28,;-7.67,-2.9,;-6.43,-2,;-5.02,-2.63,;-3.78,-1.72,;-3.94,-.19,;-5.34,.44,;-6.59,-.47,;-2.69,.72,;-2.69,2.26,;-1.23,2.73,;-.32,1.49,;1.22,1.49,;2.31,.4,;3.4,1.49,;2.31,2.58,;4.94,1.49,;5.71,2.82,;4.94,4.15,;7.25,2.82,;8.02,4.15,;9.56,4.15,;10.33,2.82,;9.56,1.49,;10.33,.15,;9.56,-1.18,;8.02,-1.18,;7.25,.15,;8.02,1.49,;-1.23,.24,;-.75,-1.22,;-1.78,-2.37,;-1.3,-3.83,;.2,-4.15,;1.23,-3.01,;2.74,-3.33,;.76,-1.54,)|

BDBM657141

CCOc1ccc(nc1)-c1nnc([C@H]2C[C@@H](C2)NC(=O)c2nc3ccccc3[nH]2)n1-c1ccc(C)s1 |r,wU:15.18,wD:13.13,(-11.31,-3.13,;-10.06,-2.22,;-8.65,-2.85,;-7.41,-1.94,;-6,-2.57,;-4.75,-1.66,;-4.92,-.13,;-6.32,.49,;-7.57,-.41,;-3.67,.77,;-3.67,2.31,;-2.2,2.79,;-1.3,1.54,;.24,1.54,;1.33,.45,;2.42,1.54,;1.33,2.63,;3.96,1.54,;4.73,2.88,;3.96,4.21,;6.27,2.88,;7.17,4.12,;8.64,3.65,;9.97,4.42,;11.31,3.65,;11.31,2.11,;9.97,1.34,;8.64,2.11,;7.17,1.63,;-2.2,.3,;-1.81,-1.19,;-2.86,-2.32,;-2.11,-3.66,;-.6,-3.37,;.53,-4.42,;-.41,-1.84,)|

BDBM50541699

CS(=O)(=O)c1ccc(nc1)-c1nnc([C@H]2C[C@@H](C2)NC(=O)c2ccccn2)n1-c1ccccc1F |r,wU:16.19,wD:14.14,(59.94,-18.38,;61.09,-19.41,;61.48,-20.89,;60,-20.49,;62.55,-18.93,;63.71,-19.97,;65.17,-19.48,;65.48,-17.98,;64.34,-16.95,;62.88,-17.43,;66.94,-17.51,;67.42,-16.05,;68.96,-16.05,;69.43,-17.51,;70.9,-17.99,;71.6,-19.36,;72.97,-18.66,;72.27,-17.29,;74.43,-19.14,;75.58,-18.11,;75.26,-16.6,;77.04,-18.59,;78.17,-17.55,;79.64,-18.02,;79.96,-19.54,;78.82,-20.57,;77.36,-20.09,;68.19,-18.42,;68.19,-19.95,;66.85,-20.72,;66.85,-22.26,;68.19,-23.03,;69.53,-22.25,;69.52,-20.72,;70.85,-19.94,)|

BDBM50579959

CCOc1ccc(nc1)-c1nnc([C@H]2C[C@@H](C2)NC(=O)c2ccccn2)n1-c1cccc(Cl)c1 |r,wU:15.18,wD:13.13,(51.2,-42.55,;52.1,-41.31,;53.63,-41.47,;54.53,-40.23,;56.06,-40.39,;56.96,-39.15,;56.34,-37.75,;54.81,-37.59,;53.91,-38.83,;57.24,-36.52,;56.77,-35.05,;58.01,-34.14,;59.26,-35.05,;60.72,-34.57,;62.09,-35.27,;62.8,-33.9,;61.43,-33.19,;64.27,-33.43,;64.59,-31.92,;63.44,-30.88,;66.06,-31.44,;66.37,-29.93,;67.83,-29.45,;68.99,-30.48,;68.67,-31.99,;67.2,-32.47,;58.78,-36.52,;59.68,-37.76,;59.05,-39.16,;59.95,-40.4,;61.48,-40.24,;62.1,-38.83,;63.63,-38.66,;61.2,-37.59,)|

BDBM657144

O=C(N[C@H]1C[C@@H](C1)c1nnc(-c2nccs2)n1-c1cccnc1)c1cccc2cccnc12 |r,wU:3.2,wD:5.7,(2.93,4.15,;3.7,2.82,;2.93,1.49,;1.39,1.49,;.3,.4,;-.79,1.49,;.3,2.58,;-2.33,1.49,;-3.24,2.73,;-4.7,2.26,;-4.7,.72,;-5.95,-.19,;-7.41,.29,;-8.32,-.96,;-7.41,-2.2,;-5.95,-1.73,;-3.24,.24,;-2.76,-1.22,;-3.79,-2.37,;-3.32,-3.83,;-1.81,-4.15,;-.78,-3.01,;-1.25,-1.54,;5.24,2.82,;6.01,4.15,;7.55,4.15,;8.32,2.82,;7.55,1.49,;8.32,.15,;7.55,-1.18,;6.01,-1.18,;5.24,.15,;6.01,1.49,)|

BDBM657145

O=C(N[C@H]1C[C@@H](C1)c1nnc(-c2nccs2)n1-c1ccncc1)c1cccc2cccnc12 |r,wU:3.2,wD:5.7,(2.93,4.19,;3.7,2.85,;2.93,1.52,;1.39,1.52,;.3,.43,;-.79,1.52,;.3,2.61,;-2.33,1.52,;-3.24,2.77,;-4.7,2.29,;-4.7,.75,;-5.95,-.15,;-7.41,.32,;-8.32,-.92,;-7.41,-2.17,;-5.95,-1.69,;-3.24,.27,;-2.84,-1.21,;-3.93,-2.3,;-3.53,-3.79,;-2.04,-4.19,;-.95,-3.1,;-1.35,-1.61,;5.24,2.85,;6.01,4.19,;7.55,4.19,;8.32,2.85,;7.55,1.52,;8.32,.19,;7.55,-1.15,;6.01,-1.15,;5.24,.19,;6.01,1.52,)|

BDBM50579968

CCOc1ccc(nc1)-c1nnc(n1-c1ccccn1)C12CC(C1)(C2)NC(=O)c1ccnc2cccnc12

BDBM50579969

CCOc1ccc(nc1)-c1nnc(n1-c1cccnc1)C12CC(C1)(C2)NC(=O)c1ccnc2cccnc12

BDBM50579970

CCOc1ccc(nc1)-c1nnc(n1-c1ccncc1)C12CC(C1)(C2)NC(=O)c1ccnc2cccnc12

BDBM657149

CCOc1ccc(nc1)-c1nnc([C@H]2C[C@@H](C2)NC(=O)c2cnn3ccccc23)n1-c1ccccc1F |r,wU:15.18,wD:13.13,(-9.84,-2.9,;-8.59,-2,;-7.19,-2.62,;-5.94,-1.72,;-4.54,-2.35,;-3.29,-1.44,;-3.45,.09,;-4.86,.72,;-6.1,-.19,;-2.2,1,;-2.2,2.54,;-.74,3.01,;.17,1.77,;1.71,1.77,;2.79,.68,;3.88,1.77,;2.79,2.86,;5.42,1.77,;6.19,3.1,;5.42,4.43,;7.73,3.1,;8.64,4.35,;10.1,3.87,;10.1,2.33,;11.25,1.3,;10.93,-.21,;9.46,-.68,;8.32,.35,;8.64,1.85,;-.74,.52,;-.26,-.94,;-1.29,-2.09,;-.82,-3.55,;.69,-3.87,;1.72,-2.73,;1.24,-1.26,;2.27,-.12,)|

BDBM657150

CS(=O)(=O)c1ccc(nc1)-c1nnc([C@H]2C[C@@H](C2)NC(=O)c2ccc(F)cn2)n1-c1ccccc1F |r,wU:16.19,wD:14.14,(-10.39,-3.81,;-9.15,-2.9,;-10.05,-1.66,;-8.24,-4.15,;-7.9,-2,;-6.49,-2.63,;-5.25,-1.72,;-5.41,-.19,;-6.82,.44,;-8.06,-.47,;-4.16,.72,;-4.16,2.26,;-2.7,2.73,;-1.79,1.49,;-.25,1.49,;.83,.4,;1.92,1.49,;.83,2.58,;3.46,1.49,;4.23,2.82,;3.46,4.15,;5.77,2.82,;6.54,4.15,;8.08,4.15,;8.85,2.82,;10.39,2.82,;8.08,1.49,;6.54,1.49,;-2.7,.24,;-2.22,-1.22,;-3.25,-2.37,;-2.78,-3.83,;-1.27,-4.15,;-.24,-3.01,;-.72,-1.54,;.31,-.4,)|

BDBM657151

O=C(N[C@H]1C[C@@H](C1)c1nnc(-c2nccs2)n1-c1cccnc1)c1ccccn1 |r,wU:3.2,wD:5.7,(2.93,4.15,;3.7,2.82,;2.93,1.49,;1.39,1.49,;.3,.4,;-.79,1.49,;.3,2.58,;-2.33,1.49,;-3.24,2.73,;-4.7,2.26,;-4.7,.72,;-5.95,-.19,;-7.41,.29,;-8.32,-.96,;-7.41,-2.2,;-5.95,-1.73,;-3.24,.24,;-2.76,-1.22,;-3.79,-2.37,;-3.32,-3.83,;-1.81,-4.15,;-.78,-3.01,;-1.25,-1.54,;5.24,2.82,;6.01,4.15,;7.55,4.15,;8.32,2.82,;7.55,1.49,;6.01,1.49,)|

BDBM50541701

Fc1ccccc1-n1c(nnc1-c1ccccn1)[C@H]1C[C@@H](C1)NC(=O)c1ccccn1 |r,wU:20.25,wD:18.20,(41.95,-34.29,;40.62,-35.07,;40.62,-36.6,;39.29,-37.38,;37.95,-36.61,;37.95,-35.07,;39.29,-34.3,;39.29,-32.77,;40.53,-31.86,;40.06,-30.4,;38.52,-30.4,;38.04,-31.86,;36.58,-32.33,;36.26,-33.84,;34.81,-34.32,;33.65,-33.28,;33.97,-31.78,;35.44,-31.3,;42,-32.34,;42.69,-33.71,;44.07,-33.01,;43.37,-31.64,;45.53,-33.49,;46.67,-32.46,;46.35,-30.95,;48.14,-32.94,;49.27,-31.9,;50.73,-32.37,;51.06,-33.89,;49.91,-34.92,;48.46,-34.44,)|

BDBM50541702

Fc1ccc(nc1)C(=O)N[C@H]1C[C@@H](C1)c1nnc(-c2ccccn2)n1-c1ccccc1F |r,wU:10.10,wD:12.15,(79.97,-33.96,;78.51,-33.48,;78.18,-31.97,;76.72,-31.5,;75.59,-32.53,;75.9,-34.04,;77.36,-34.51,;74.12,-32.06,;73.8,-30.55,;72.98,-33.09,;71.51,-32.61,;70.14,-33.31,;69.44,-31.93,;70.81,-31.24,;67.98,-31.46,;67.5,-29.99,;65.96,-29.99,;65.49,-31.46,;64.03,-31.93,;63.71,-33.43,;62.25,-33.91,;61.1,-32.88,;61.42,-31.37,;62.88,-30.9,;66.73,-32.36,;66.74,-33.9,;65.4,-34.67,;65.4,-36.2,;66.73,-36.98,;68.07,-36.2,;68.07,-34.66,;69.4,-33.89,)|

BDBM50541703

Fc1ccccc1-n1c(nnc1-c1ccccn1)[C@H]1C[C@@H](C1)NC(=O)c1ccnc2cccnc12 |r,wU:20.25,wD:18.20,(12.3,-48.1,;10.97,-48.87,;10.97,-50.41,;9.63,-51.19,;8.3,-50.42,;8.3,-48.88,;9.64,-48.11,;9.63,-46.57,;10.88,-45.67,;10.4,-44.2,;8.86,-44.2,;8.39,-45.67,;6.93,-46.14,;6.61,-47.64,;5.15,-48.12,;4,-47.09,;4.32,-45.58,;5.78,-45.11,;12.34,-46.14,;13.04,-47.52,;14.41,-46.82,;13.71,-45.45,;15.88,-47.3,;17.02,-46.27,;16.7,-44.76,;18.49,-46.74,;19.62,-45.71,;21.08,-46.18,;21.41,-47.69,;20.26,-48.72,;20.59,-50.22,;19.45,-51.24,;17.99,-50.77,;17.67,-49.27,;18.81,-48.25,)|

BDBM50541704

Fc1cnc2c(ccnc2c1)C(=O)N[C@H]1C[C@@H](C1)c1nnc(-c2ccccn2)n1-c1ccccc1F |r,wU:14.15,wD:16.20,(49.33,-53.53,;49.01,-52.02,;47.54,-51.55,;47.22,-50.05,;48.36,-49.03,;48.04,-47.52,;49.17,-46.49,;50.64,-46.96,;50.96,-48.47,;49.82,-49.5,;50.14,-50.99,;46.58,-47.05,;46.26,-45.54,;45.43,-48.08,;43.97,-47.6,;42.59,-48.3,;41.9,-46.92,;43.27,-46.23,;40.43,-46.45,;39.96,-44.98,;38.42,-44.98,;37.94,-46.45,;36.48,-46.92,;36.16,-48.42,;34.71,-48.9,;33.55,-47.87,;33.87,-46.36,;35.34,-45.89,;39.19,-47.35,;39.19,-48.89,;37.85,-49.66,;37.85,-51.19,;39.19,-51.97,;40.52,-51.19,;40.52,-49.65,;41.85,-48.88,)|

BDBM657156

Fc1ccccc1-n1c(nnc1-c1ccccn1)[C@H]1C[C@@H](C1)NC(=O)c1ccc2cnccc2n1 |r,wU:20.25,wD:18.20,(-1.24,-.4,;-2.27,-1.54,;-1.79,-3.01,;-2.82,-4.15,;-4.33,-3.83,;-4.8,-2.37,;-3.77,-1.22,;-4.25,.24,;-3.34,1.49,;-4.25,2.73,;-5.71,2.26,;-5.71,.72,;-6.96,-.19,;-6.8,-1.72,;-8.05,-2.63,;-9.45,-2,;-9.61,-.47,;-8.37,.44,;-1.8,1.49,;-.72,.4,;.37,1.49,;-.72,2.58,;1.91,1.49,;2.68,2.82,;1.91,4.15,;4.22,2.82,;4.99,4.15,;6.53,4.15,;7.3,2.82,;8.84,2.82,;9.61,1.49,;8.84,.15,;7.3,.15,;6.53,1.49,;4.99,1.49,)|

BDBM50579981

Fc1ccccc1-n1c(nnc1-c1ccccn1)[C@H]1C[C@@H](C1)NC(=O)c1cccc2nccnc12 |r,wU:20.25,wD:18.20,(66.64,-7.99,;66.03,-9.38,;66.93,-10.61,;66.31,-12.01,;64.8,-12.17,;63.9,-10.94,;64.53,-9.55,;63.63,-8.31,;64.11,-6.84,;62.86,-5.93,;61.61,-6.84,;62.09,-8.31,;61.19,-9.54,;61.81,-10.93,;60.92,-12.16,;59.4,-12,;58.78,-10.61,;59.67,-9.38,;65.58,-6.36,;66.95,-7.07,;67.66,-5.69,;66.28,-4.99,;69.13,-5.22,;69.46,-3.71,;68.3,-2.67,;70.93,-3.22,;71.24,-1.71,;72.7,-1.23,;73.86,-2.26,;73.54,-3.78,;74.68,-4.8,;74.37,-6.31,;72.89,-6.79,;71.75,-5.76,;72.07,-4.25,)|

BDBM50579982

Fc1cc(C(=O)N[C@H]2C[C@@H](C2)c2nnc(-c3ccccn3)n2-c2ccccc2F)c2nccnc2c1 |r,wU:7.6,wD:9.11,(15.66,-15.79,;15.35,-17.28,;13.88,-17.76,;13.57,-19.27,;12.1,-19.76,;10.95,-18.72,;11.78,-21.27,;10.3,-21.75,;9.59,-23.12,;8.22,-22.41,;8.92,-21.04,;6.76,-22.9,;5.5,-21.98,;4.26,-22.9,;4.73,-24.37,;3.83,-25.59,;4.45,-26.98,;3.56,-28.21,;2.04,-28.05,;1.42,-26.66,;2.32,-25.43,;6.28,-24.37,;7.17,-25.6,;6.55,-26.99,;7.44,-28.22,;8.96,-28.06,;9.58,-26.66,;8.68,-25.43,;9.29,-24.04,;14.72,-20.3,;14.4,-21.81,;15.54,-22.84,;17.01,-22.36,;17.33,-20.85,;16.19,-19.83,;16.5,-18.31,)|

BDBM50541705

Cc1cccc(n1)-c1nnc([C@H]2C[C@@H](C2)NC(=O)c2ccccn2)n1-c1ccccc1F |r,wU:13.16,wD:11.11,(61.71,-45.23,;62.85,-46.26,;62.53,-47.77,;63.69,-48.8,;65.14,-48.32,;65.46,-46.82,;64.32,-45.78,;66.92,-46.34,;67.39,-44.88,;68.93,-44.88,;69.41,-46.34,;70.88,-46.82,;71.57,-48.2,;72.95,-47.5,;72.25,-46.12,;74.41,-47.97,;75.55,-46.94,;75.23,-45.44,;77.02,-47.42,;78.15,-46.39,;79.61,-46.86,;79.94,-48.37,;78.79,-49.4,;77.34,-48.92,;68.16,-47.25,;68.17,-48.78,;66.83,-49.55,;66.83,-51.09,;68.17,-51.86,;69.5,-51.08,;69.5,-49.55,;70.83,-48.77,)|

BDBM50541706

Cc1cccc(n1)-c1nnc([C@H]2C[C@@H](C2)NC(=O)c2ccc(F)cn2)n1-c1ccccc1F |r,wU:13.16,wD:11.11,(3.03,-2.98,;4.17,-4.01,;3.84,-5.52,;5,-6.55,;6.46,-6.07,;6.78,-4.57,;5.64,-3.53,;8.23,-4.1,;8.72,-2.63,;10.26,-2.63,;10.73,-4.1,;12.19,-4.57,;12.89,-5.95,;14.26,-5.25,;13.57,-3.88,;15.73,-5.73,;16.88,-4.69,;16.56,-3.19,;18.34,-5.17,;19.48,-4.14,;20.94,-4.61,;21.26,-6.12,;22.73,-6.59,;20.12,-7.16,;18.66,-6.67,;9.48,-5,;9.49,-6.53,;8.15,-7.31,;8.15,-8.85,;9.48,-9.61,;10.82,-8.84,;10.82,-7.3,;12.15,-6.53,)|

BDBM50541707

Cc1cccc(n1)-c1nnc([C@H]2C[C@@H](C2)NC(=O)c2ccnc3cccnc23)n1-c1ccccc1F |r,wU:13.16,wD:11.11,(30.75,-2.43,;31.9,-3.46,;31.58,-4.97,;32.74,-6,;34.2,-5.52,;34.51,-4.02,;33.36,-2.98,;35.97,-3.55,;36.44,-2.08,;37.99,-2.08,;38.46,-3.55,;39.93,-4.02,;40.63,-5.4,;42,-4.7,;41.3,-3.33,;43.47,-5.18,;44.61,-4.15,;44.29,-2.64,;46.07,-4.62,;47.21,-3.59,;48.67,-4.06,;49,-5.57,;47.86,-6.61,;48.18,-8.1,;47.04,-9.13,;45.58,-8.66,;45.26,-7.16,;46.4,-6.13,;37.22,-4.45,;37.22,-5.99,;35.88,-6.76,;35.88,-8.3,;37.22,-9.07,;38.55,-8.29,;38.55,-6.76,;39.88,-5.98,)|

BDBM50541708

Cc1cccc(n1)-c1nnc([C@H]2C[C@@H](C2)NC(=O)c2ccnc3cc(F)cnc23)n1-c1ccccc1F |r,wU:13.16,wD:11.11,(56.93,-1.9,;58.08,-2.94,;57.76,-4.45,;58.91,-5.48,;60.37,-5,;60.69,-3.49,;59.54,-2.46,;62.15,-3.02,;62.62,-1.56,;64.16,-1.56,;64.63,-3.02,;66.1,-3.5,;66.8,-4.87,;68.18,-4.18,;67.47,-2.8,;69.64,-4.65,;70.78,-3.62,;70.46,-2.12,;72.25,-4.1,;73.38,-3.07,;74.85,-3.53,;75.17,-5.05,;74.03,-6.08,;74.35,-7.57,;73.22,-8.6,;73.54,-10.11,;71.75,-8.13,;71.43,-6.63,;72.57,-5.61,;63.39,-3.93,;63.4,-5.47,;62.06,-6.23,;62.06,-7.77,;63.4,-8.55,;64.73,-7.77,;64.72,-6.23,;66.06,-5.46,)|

BDBM657163

Cc1cccc(n1)-c1nnc([C@H]2C[C@@H](C2)NC(=O)c2ccc3cnccc3n2)n1-c1ccccc1F |r,wU:13.16,wD:11.11,(-10.32,.16,;-8.91,-.47,;-8.75,-2,;-7.34,-2.63,;-6.1,-1.72,;-6.26,-.19,;-7.66,.44,;-5.01,.72,;-5.01,2.26,;-3.55,2.73,;-2.64,1.49,;-1.1,1.49,;-.01,.4,;1.08,1.49,;-.01,2.58,;2.62,1.49,;3.39,2.82,;2.62,4.15,;4.93,2.82,;5.7,4.15,;7.24,4.15,;8.01,2.82,;9.55,2.82,;10.32,1.49,;9.55,.15,;8.01,.15,;7.24,1.49,;5.7,1.49,;-3.55,.24,;-3.07,-1.22,;-4.1,-2.37,;-3.63,-3.83,;-2.12,-4.15,;-1.09,-3.01,;-1.56,-1.54,;-.53,-.4,)|

BDBM50579983

Cc1cccc(n1)-c1nnc([C@H]2C[C@@H](C2)NC(=O)c2cccc3nccnc23)n1-c1ccccc1F |r,wU:13.16,wD:11.11,(18.86,-26.2,;20.37,-26.36,;20.99,-27.75,;22.51,-27.91,;23.4,-26.68,;22.79,-25.29,;21.27,-25.13,;23.68,-24.07,;23.21,-22.6,;24.45,-21.68,;25.71,-22.6,;27.18,-22.11,;28.55,-22.82,;29.26,-21.44,;27.88,-20.74,;30.73,-20.97,;31.06,-19.45,;29.9,-18.42,;32.53,-18.97,;32.84,-17.46,;34.31,-16.98,;35.46,-18.01,;35.15,-19.53,;36.28,-20.55,;35.97,-22.06,;34.5,-22.54,;33.35,-21.51,;33.67,-20,;25.23,-24.07,;26.13,-25.3,;25.5,-26.69,;26.39,-27.92,;27.91,-27.76,;28.53,-26.36,;27.63,-25.13,;28.24,-23.74,)|

BDBM50579984

Cc1cccc(n1)-c1nnc([C@H]2C[C@@H](C2)NC(=O)c2cc(F)cc3nccnc23)n1-c1ccccc1F |r,wU:13.16,wD:11.11,(39.73,-24.55,;41.25,-24.71,;41.87,-26.11,;43.39,-26.26,;44.28,-25.03,;43.66,-23.65,;42.15,-23.48,;44.56,-22.42,;44.09,-20.95,;45.33,-20.03,;46.59,-20.95,;48.06,-20.46,;49.43,-21.17,;50.14,-19.8,;48.76,-19.09,;51.61,-19.32,;51.94,-17.81,;50.78,-16.77,;53.41,-17.32,;53.72,-15.81,;55.19,-15.33,;55.5,-13.84,;56.35,-16.36,;56.03,-17.88,;57.17,-18.9,;56.85,-20.41,;55.38,-20.89,;54.23,-19.86,;54.56,-18.35,;46.11,-22.42,;47.01,-23.65,;46.38,-25.04,;47.27,-26.28,;48.79,-26.12,;49.41,-24.71,;48.51,-23.49,;49.12,-22.09,)|

BDBM50579956

Fc1ccccc1-n1c(nnc1-c1ccccc1)[C@H]1C[C@@H](C1)NC(=O)c1ccccn1 |r,wU:20.25,wD:18.20,(9.05,-37.82,;8.43,-39.23,;9.34,-40.46,;8.71,-41.87,;7.18,-42.03,;6.28,-40.79,;6.91,-39.39,;6.01,-38.15,;6.49,-36.68,;5.24,-35.77,;4,-36.68,;4.47,-38.15,;3.58,-39.39,;2.05,-39.22,;1.14,-40.46,;1.76,-41.86,;3.3,-42.02,;4.2,-40.78,;7.95,-36.2,;9.33,-36.91,;10.03,-35.53,;8.66,-34.83,;11.5,-35.06,;11.82,-33.55,;10.68,-32.52,;13.29,-33.07,;13.6,-31.56,;15.06,-31.08,;16.22,-32.11,;15.9,-33.62,;14.44,-34.1,)|

BDBM657167

Fc1ccc(nc1)C(=O)N[C@H]1C[C@@H](C1)c1nnc(-c2ccccc2)n1-c1ccccc1F |r,wU:10.10,wD:12.15,(9.23,2.82,;7.69,2.82,;6.92,4.15,;5.38,4.15,;4.61,2.82,;5.38,1.49,;6.92,1.49,;3.07,2.82,;2.3,4.15,;2.3,1.49,;.76,1.49,;-.33,.4,;-1.42,1.49,;-.33,2.58,;-2.96,1.49,;-3.86,2.73,;-5.33,2.26,;-5.33,.72,;-6.58,-.19,;-7.98,.44,;-9.23,-.47,;-9.07,-2,;-7.66,-2.63,;-6.41,-1.72,;-3.86,.24,;-3.39,-1.22,;-4.42,-2.37,;-3.94,-3.83,;-2.44,-4.15,;-1.41,-3.01,;-1.88,-1.54,;-.85,-.4,)|

BDBM657168

Fc1ccccc1-n1c(nnc1-c1ccccc1)[C@H]1C[C@@H](C1)NC(=O)c1ccnc2cccnc12 |r,wU:20.25,wD:18.20,(-.08,-.4,;-1.11,-1.54,;-.64,-3.01,;-1.67,-4.15,;-3.17,-3.83,;-3.65,-2.37,;-2.62,-1.22,;-3.09,.24,;-2.19,1.49,;-3.09,2.73,;-4.56,2.26,;-4.56,.72,;-5.81,-.19,;-7.21,.44,;-8.46,-.47,;-8.3,-2,;-6.89,-2.63,;-5.64,-1.72,;-.65,1.49,;.44,.4,;1.53,1.49,;.44,2.58,;3.07,1.49,;3.84,2.82,;3.07,4.15,;5.38,2.82,;6.15,4.15,;7.69,4.15,;8.46,2.82,;7.69,1.49,;8.46,.15,;7.69,-1.18,;6.15,-1.18,;5.38,.15,;6.15,1.49,)|

BDBM657169

Fc1cnc2c(ccnc2c1)C(=O)N[C@H]1C[C@@H](C1)c1nnc(-c2ccccc2)n1-c1ccccc1F |r,wU:14.15,wD:16.20,(8.46,-2.51,;7.69,-1.18,;6.15,-1.18,;5.38,.15,;6.15,1.49,;5.38,2.82,;6.15,4.15,;7.69,4.15,;8.46,2.82,;7.69,1.49,;8.46,.15,;3.84,2.82,;3.07,4.15,;3.07,1.49,;1.53,1.49,;.44,.4,;-.65,1.49,;.44,2.58,;-2.19,1.49,;-3.09,2.73,;-4.56,2.26,;-4.56,.72,;-5.81,-.19,;-7.21,.44,;-8.46,-.47,;-8.3,-2,;-6.89,-2.63,;-5.64,-1.72,;-3.09,.24,;-2.62,-1.22,;-3.65,-2.37,;-3.17,-3.83,;-1.67,-4.15,;-.64,-3.01,;-1.11,-1.54,;-.08,-.4,)|

BDBM657170

Fc1ccccc1-n1c(nnc1-c1ccccc1)[C@H]1C[C@@H](C1)NC(=O)c1ccc2cnccc2n1 |r,wU:20.25,wD:18.20,(-1.24,-.4,;-2.27,-1.54,;-1.79,-3.01,;-2.82,-4.15,;-4.33,-3.83,;-4.8,-2.37,;-3.77,-1.22,;-4.25,.24,;-3.34,1.49,;-4.25,2.73,;-5.71,2.26,;-5.71,.72,;-6.96,-.19,;-8.37,.44,;-9.61,-.47,;-9.45,-2,;-8.05,-2.63,;-6.8,-1.72,;-1.8,1.49,;-.72,.4,;.37,1.49,;-.72,2.58,;1.91,1.49,;2.68,2.82,;1.91,4.15,;4.22,2.82,;4.99,4.15,;6.53,4.15,;7.3,2.82,;8.84,2.82,;9.61,1.49,;8.84,.15,;7.3,.15,;6.53,1.49,;4.99,1.49,)|

BDBM50541709

FC(F)Oc1ccc(nc1)-c1nnc([C@H]2C[C@@H](C2)NC(=O)c2ccccn2)n1-c1ccccc1F |r,wU:16.19,wD:14.14,(3.4,-17.85,;3.08,-19.35,;1.62,-19.84,;4.23,-20.38,;5.69,-19.91,;6.84,-20.94,;8.3,-20.46,;8.62,-18.96,;7.48,-17.92,;6.01,-18.4,;10.08,-18.49,;10.56,-17.02,;12.1,-17.02,;12.57,-18.49,;14.04,-18.96,;14.74,-20.34,;16.1,-19.63,;15.41,-18.27,;17.57,-20.12,;18.72,-19.08,;18.4,-17.58,;20.18,-19.56,;21.32,-18.53,;22.78,-19,;23.1,-20.51,;21.96,-21.54,;20.5,-21.06,;11.32,-19.39,;11.33,-20.92,;9.99,-21.7,;9.99,-23.23,;11.32,-24,;12.66,-23.23,;12.66,-21.69,;13.99,-20.91,)|

BDBM50541710

FC(F)Oc1ccc(nc1)-c1nnc([C@H]2C[C@@H](C2)NC(=O)c2ccc(F)cn2)n1-c1ccccc1F |r,wU:16.19,wD:14.14,(29.13,-19.08,;30.59,-18.6,;30.91,-17.09,;31.73,-19.63,;33.2,-19.15,;34.35,-20.18,;35.81,-19.7,;36.13,-18.2,;34.98,-17.16,;33.52,-17.64,;37.59,-17.73,;38.06,-16.26,;39.6,-16.26,;40.08,-17.73,;41.55,-18.2,;42.24,-19.58,;43.62,-18.88,;42.92,-17.51,;45.08,-19.36,;46.23,-18.33,;45.9,-16.82,;47.69,-18.8,;48.82,-17.77,;50.28,-18.24,;50.62,-19.75,;52.08,-20.22,;49.47,-20.79,;48.01,-20.31,;38.84,-18.63,;38.84,-20.17,;37.5,-20.94,;37.5,-22.48,;38.84,-23.25,;40.18,-22.47,;40.17,-20.93,;41.5,-20.16,)|

BDBM50541711

FC(F)Oc1ccc(nc1)-c1nnc([C@H]2C[C@@H](C2)NC(=O)c2ccnc3cccnc23)n1-c1ccccc1F |r,wU:16.19,wD:14.14,(56.99,-19.42,;58.46,-18.93,;58.77,-17.42,;59.6,-19.97,;61.07,-19.49,;62.22,-20.52,;63.68,-20.04,;64,-18.54,;62.86,-17.5,;61.39,-17.98,;65.46,-18.06,;65.94,-16.6,;67.48,-16.6,;67.95,-18.06,;69.42,-18.54,;70.12,-19.92,;71.49,-19.21,;70.79,-17.85,;72.95,-19.7,;74.1,-18.66,;73.78,-17.15,;75.57,-19.14,;76.7,-18.11,;78.17,-18.58,;78.49,-20.09,;77.34,-21.12,;77.66,-22.62,;76.54,-23.64,;75.07,-23.17,;74.75,-21.67,;75.88,-20.64,;66.7,-18.97,;66.71,-20.5,;65.37,-21.28,;65.37,-22.82,;66.7,-23.58,;68.04,-22.81,;68.04,-21.27,;69.37,-20.49,)|

BDBM50541712

FC(F)Oc1ccc(nc1)-c1nnc([C@H]2C[C@@H](C2)NC(=O)c2ccnc3cc(F)cnc23)n1-c1ccccc1F |r,wU:16.19,wD:14.14,(3.21,-31.82,;2.9,-33.33,;1.43,-33.8,;4.05,-34.35,;5.51,-33.88,;6.66,-34.91,;8.12,-34.43,;8.45,-32.92,;7.3,-31.89,;5.83,-32.37,;9.91,-32.45,;10.38,-30.99,;11.92,-30.99,;12.39,-32.45,;13.86,-32.93,;14.56,-34.31,;15.93,-33.61,;15.23,-32.24,;17.4,-34.08,;18.54,-33.05,;18.23,-31.55,;20.01,-33.53,;21.15,-32.5,;22.61,-32.96,;22.94,-34.48,;21.79,-35.51,;22.11,-37.01,;20.98,-38.04,;21.31,-39.54,;19.51,-37.56,;19.19,-36.06,;20.33,-35.04,;11.15,-33.36,;11.15,-34.9,;9.81,-35.66,;9.81,-37.2,;11.15,-37.98,;12.49,-37.2,;12.48,-35.66,;13.82,-34.89,)|

BDBM657175

FC(F)Oc1ccc(nc1)-c1nnc([C@H]2C[C@@H](C2)NC(=O)c2ccc3cnccc3n2)n1-c1ccccc1F |r,wU:16.19,wD:14.14,(-11.48,-3.18,;-10.24,-2.28,;-10.4,-.75,;-8.83,-2.9,;-7.58,-2,;-6.18,-2.63,;-4.93,-1.72,;-5.09,-.19,;-6.5,.44,;-7.74,-.47,;-3.85,.72,;-3.85,2.26,;-2.38,2.73,;-1.48,1.49,;.06,1.49,;1.15,.4,;2.24,1.49,;1.15,2.58,;3.78,1.49,;4.55,2.82,;3.78,4.15,;6.09,2.82,;6.86,4.15,;8.4,4.15,;9.17,2.82,;10.71,2.82,;11.48,1.49,;10.71,.15,;9.17,.15,;8.4,1.49,;6.86,1.49,;-2.38,.24,;-1.91,-1.22,;-2.94,-2.37,;-2.46,-3.83,;-.95,-4.15,;.08,-3.01,;-.4,-1.54,;.63,-.4,)|

BDBM50579979

FC(F)Oc1ccc(nc1)-c1nnc([C@H]2C[C@@H](C2)NC(=O)c2cccc3nccnc23)n1-c1ccccc1F |r,wU:16.19,wD:14.14,(20.82,-14.3,;21.72,-13.07,;21.1,-11.67,;23.23,-13.22,;24.13,-11.99,;25.65,-12.15,;26.54,-10.92,;25.93,-9.53,;24.41,-9.37,;23.51,-10.6,;26.82,-8.3,;26.35,-6.83,;27.59,-5.92,;28.85,-6.83,;30.32,-6.35,;31.69,-7.05,;32.4,-5.68,;31.02,-4.97,;33.87,-5.21,;34.2,-3.69,;33.04,-2.66,;35.67,-3.21,;35.98,-1.69,;37.45,-1.21,;38.6,-2.25,;38.29,-3.76,;39.42,-4.79,;39.11,-6.3,;37.64,-6.78,;36.49,-5.75,;36.81,-4.24,;28.37,-8.3,;29.27,-9.54,;28.64,-10.93,;29.53,-12.16,;31.05,-12,;31.67,-10.6,;30.77,-9.37,;31.38,-7.98,)|

BDBM50579980

FC(F)Oc1ccc(nc1)-c1nnc([C@H]2C[C@@H](C2)NC(=O)c2cc(F)cc3nccnc23)n1-c1ccccc1F |r,wU:16.19,wD:14.14,(38.11,-15.34,;39.01,-14.11,;38.39,-12.72,;40.52,-14.27,;41.42,-13.03,;42.94,-13.19,;43.84,-11.96,;43.22,-10.57,;41.7,-10.41,;40.8,-11.64,;44.11,-9.35,;43.64,-7.87,;44.88,-6.96,;46.14,-7.87,;47.61,-7.39,;48.98,-8.1,;49.69,-6.72,;48.31,-6.01,;51.17,-6.25,;51.49,-4.73,;50.34,-3.7,;52.97,-4.25,;53.27,-2.73,;54.74,-2.25,;55.05,-.76,;55.9,-3.29,;55.58,-4.8,;56.72,-5.83,;56.41,-7.34,;54.93,-7.82,;53.79,-6.79,;54.11,-5.28,;45.66,-9.35,;46.56,-10.58,;45.93,-11.97,;46.83,-13.2,;48.35,-13.04,;48.96,-11.64,;48.06,-10.41,;48.68,-9.02,)|

BDBM50579962

CCOc1ccc(nc1)-c1nnc([C@H]2C[C@@H](C2)NC(=O)c2ccnc3cccnc23)n1-c1ccccn1 |r,wU:15.18,wD:13.13,(-.25,-14.1,;.65,-12.85,;2.18,-13.02,;3.08,-11.77,;4.62,-11.93,;5.52,-10.69,;4.9,-9.3,;3.37,-9.13,;2.46,-10.37,;5.79,-8.06,;5.32,-6.59,;6.56,-5.68,;7.82,-6.59,;9.28,-6.11,;10.65,-6.81,;11.36,-5.44,;9.98,-4.73,;12.83,-4.97,;13.15,-3.46,;12,-2.42,;14.62,-2.98,;14.93,-1.47,;16.39,-.98,;17.55,-2.02,;17.23,-3.53,;18.37,-4.56,;18.05,-6.06,;16.58,-6.54,;15.44,-5.5,;15.76,-4,;7.34,-8.06,;8.24,-9.3,;7.61,-10.7,;8.51,-11.94,;10.04,-11.78,;10.66,-10.37,;9.76,-9.14,)|

BDBM50579963

CCOc1ccc(nc1)-c1nnc([C@H]2C[C@@H](C2)NC(=O)c2ccnc3cc(F)cnc23)n1-c1ccccn1 |r,wU:15.18,wD:13.13,(17.43,-12.23,;18.05,-13.63,;19.58,-13.79,;20.48,-12.55,;22.02,-12.71,;22.92,-11.47,;22.3,-10.07,;20.77,-9.91,;19.86,-11.15,;23.19,-8.84,;22.72,-7.37,;23.96,-6.45,;25.22,-7.37,;26.68,-6.88,;28.05,-7.59,;28.76,-6.22,;27.39,-5.51,;30.23,-5.74,;30.55,-4.23,;29.4,-3.2,;32.02,-3.75,;32.33,-2.24,;33.79,-1.76,;34.95,-2.79,;34.63,-4.31,;35.77,-5.33,;35.46,-6.84,;36.6,-7.86,;33.98,-7.32,;32.84,-6.28,;33.17,-4.78,;24.74,-8.84,;25.64,-10.07,;25.01,-11.48,;25.91,-12.72,;27.44,-12.56,;28.06,-11.15,;27.16,-9.91,)|

BDBM50579964

CCOc1ccc(nc1)-c1nnc([C@H]2C[C@@H](C2)NC(=O)c2ccnc3cccnc23)n1-c1cccnc1 |r,wU:15.18,wD:13.13,(37.11,-11.4,;37.73,-12.81,;39.26,-12.97,;40.16,-11.73,;41.7,-11.89,;42.6,-10.65,;41.98,-9.25,;40.45,-9.08,;39.54,-10.32,;42.87,-8.01,;42.4,-6.54,;43.64,-5.63,;44.9,-6.54,;46.36,-6.06,;47.74,-6.76,;48.44,-5.39,;47.07,-4.68,;49.91,-4.92,;50.24,-3.41,;49.09,-2.37,;51.71,-2.92,;52.01,-1.41,;53.48,-.93,;54.64,-1.96,;54.32,-3.48,;55.46,-4.5,;55.14,-6.01,;53.67,-6.49,;52.53,-5.45,;52.85,-3.95,;44.42,-8.01,;45.32,-9.25,;44.69,-10.65,;45.59,-11.9,;47.12,-11.74,;47.75,-10.32,;46.84,-9.09,)|

BDBM50579965

CCOc1ccc(nc1)-c1nnc([C@H]2C[C@@H](C2)NC(=O)c2ccnc3cc(F)cnc23)n1-c1cccnc1 |r,wU:15.18,wD:13.13,(54.53,-12.18,;55.16,-13.59,;56.69,-13.75,;57.59,-12.51,;59.13,-12.67,;60.03,-11.43,;59.4,-10.03,;57.87,-9.86,;56.97,-11.1,;60.3,-8.79,;59.83,-7.32,;61.07,-6.41,;62.33,-7.32,;63.79,-6.84,;65.17,-7.54,;65.87,-6.17,;64.5,-5.46,;67.34,-5.69,;67.67,-4.18,;66.52,-3.14,;69.14,-3.7,;69.45,-2.19,;70.91,-1.71,;72.07,-2.74,;71.75,-4.26,;72.89,-5.28,;72.58,-6.79,;73.72,-7.81,;71.1,-7.27,;69.96,-6.23,;70.28,-4.73,;61.85,-8.79,;62.75,-10.03,;62.12,-11.43,;63.02,-12.68,;64.55,-12.52,;65.18,-11.1,;64.27,-9.87,)|

BDBM50579966

CCOc1ccc(nc1)-c1nnc([C@H]2C[C@@H](C2)NC(=O)c2ccnc3cccnc23)n1-c1ccncc1 |r,wU:15.18,wD:13.13,(.69,-27.89,;1.6,-26.65,;3.11,-26.81,;4.02,-25.57,;5.56,-25.73,;6.45,-24.49,;5.83,-23.09,;4.3,-22.92,;3.4,-24.16,;6.73,-21.85,;6.26,-20.38,;7.5,-19.47,;8.75,-20.38,;10.22,-19.9,;11.59,-20.61,;12.3,-19.23,;10.92,-18.52,;13.77,-18.76,;14.09,-17.25,;12.94,-16.21,;15.56,-16.77,;15.87,-15.25,;17.34,-14.77,;18.5,-15.8,;18.18,-17.32,;19.32,-18.35,;19,-19.85,;17.53,-20.33,;16.38,-19.3,;16.71,-17.79,;8.27,-21.85,;9.17,-23.09,;8.55,-24.5,;9.45,-25.74,;10.98,-25.58,;11.6,-24.17,;10.7,-22.93,)|

BDBM50579967

CCOc1ccc(nc1)-c1nnc([C@H]2C[C@@H](C2)NC(=O)c2ccnc3cc(F)cnc23)n1-c1ccncc1 |r,wU:15.18,wD:13.13,(18.68,-26.64,;19.58,-25.4,;21.11,-25.56,;22.01,-24.32,;23.55,-24.48,;24.45,-23.23,;23.83,-21.83,;22.3,-21.67,;21.39,-22.91,;24.73,-20.6,;24.26,-19.13,;25.5,-18.21,;26.75,-19.13,;28.21,-18.64,;29.59,-19.35,;30.3,-17.97,;28.92,-17.27,;31.77,-17.5,;32.09,-15.99,;30.94,-14.95,;33.56,-15.51,;33.87,-14,;35.33,-13.51,;36.5,-14.55,;36.18,-16.06,;37.32,-17.09,;37,-18.59,;38.14,-19.62,;35.53,-19.08,;34.38,-18.04,;34.71,-16.53,;26.27,-20.6,;27.17,-21.84,;26.54,-23.24,;27.44,-24.48,;28.97,-24.33,;29.6,-22.91,;28.69,-21.68,)|

BDBM657184

CCOc1ccc(nc1)-c1nnc([C@H]2C[C@@H](C2)NC(=O)c2ccc3ncccc3n2)n1-c1cccnc1 |r,wU:15.18,wD:13.13,(-11.48,-3.18,;-10.24,-2.28,;-8.83,-2.9,;-7.58,-2,;-6.18,-2.63,;-4.93,-1.72,;-5.09,-.19,;-6.5,.44,;-7.74,-.47,;-3.85,.72,;-3.85,2.26,;-2.38,2.73,;-1.48,1.49,;.06,1.49,;1.15,.4,;2.24,1.49,;1.15,2.58,;3.78,1.49,;4.55,2.82,;3.78,4.15,;6.09,2.82,;6.86,4.15,;8.4,4.15,;9.17,2.82,;10.71,2.82,;11.48,1.49,;10.71,.15,;9.17,.15,;8.4,1.49,;6.86,1.49,;-2.38,.24,;-1.91,-1.22,;-2.94,-2.37,;-2.46,-3.83,;-.95,-4.15,;.08,-3.01,;-.4,-1.54,)|

BDBM657185

CCOc1ccc(nc1)-c1nnc([C@H]2C[C@@H](C2)NC(=O)c2ccc3ncccc3n2)n1-c1ccncc1 |r,wU:15.18,wD:13.13,(-11.48,-3.18,;-10.24,-2.28,;-8.83,-2.9,;-7.58,-2,;-6.18,-2.63,;-4.93,-1.72,;-5.09,-.19,;-6.5,.44,;-7.74,-.47,;-3.85,.72,;-3.85,2.26,;-2.38,2.73,;-1.48,1.49,;.06,1.49,;1.15,.4,;2.24,1.49,;1.15,2.58,;3.78,1.49,;4.55,2.82,;3.78,4.15,;6.09,2.82,;6.86,4.15,;8.4,4.15,;9.17,2.82,;10.71,2.82,;11.48,1.49,;10.71,.15,;9.17,.15,;8.4,1.49,;6.86,1.49,;-2.38,.24,;-1.91,-1.22,;-2.94,-2.37,;-2.46,-3.83,;-.95,-4.15,;.08,-3.01,;-.4,-1.54,)|

BDBM431646

C[C@@H](COCCC(=O)N1CCN(CC1)c2ncc(cn2)C(F)(F)F)NC3=C(C(=O)NN=C3)C(F)(F)F

BDBM675069

C[C@@H](COCc1cc2CN(CCn2n1)c1ncc(cn1)C(F)(F)F)Nc1cn[nH]c(=O)c1C(F)(F)F |r|

BDBM707189

CCC1=CC2N=CC(CN3CCN(c4ccc(C(=O)NC5CC5)nc4)CC3)CC2NC1=O

BDBM50068765

Cc1cccc2c1N=C(NC2=O)c3ccc(cc3)C(F)(F)F

BDBM50068758

Cc1cccc2c1nc([nH]c2=O)-c1ccccc1

BDBM50068752

Cc1cccc2c1nc([nH]c2=O)-c1ccc(cc1)[N+]([O-])=O

BDBM50444542

Cc1cccc2c1nc([nH]c2=O)-c1ccc(F)cc1

BDBM50444544

Cc1cccc2c1nc([nH]c2=O)-c1ccc(Cl)cc1

BDBM50444543

Cc1cccc2c1nc([nH]c2=O)-c1ccc(Br)cc1

BDBM50318567

c1cc(ccc1c2nc3c(c(n2)O)CSCC3)C(F)(F)F

BDBM50444545

Cc1ccc(cc1)C2=Nc3c(cccc3C(=O)N2)C

BDBM50005187

Cc1cccc2c1nc([nH]c2=O)-c1ccc(CN)cc1

BDBM50068762

COc1ccc(cc1)-c1nc2c(C)cccc2c(=O)[nH]1

BDBM50068755

Cc1cccc2c1nc([nH]c2=O)-c1ccc(O)cc1

BDBM50068766

Cc1cccc2c1nc([nH]c2=O)-c1ccc(N)cc1

BDBM50444541

Cc1cccc2c1nc([nH]c2=O)-c1ccc(CNC(=O)OCc2ccccc2)cc1

BDBM50007582

Cc1cc(c2nncn2n1)NCCc3ccc(cc3)O

BDBM50007583

c1cc2cccnc2c(c1)NC(=O)c3ccc(cc3)N4C(=O)[C@H]5[C@@H]6C[C@H]([C@H]5C4=O)C=C6

BDBM50326053

C[C@@]12[C@@H]([C@@H](C[C@@H](O1)n3c4ccccc4c5c3c6n2c7ccccc7c6c8c5C(=O)NC8)N(C)C(=O)c9ccccc9)OC

BDBM50308060

C[C@@]12[C@](C[C@@H](O1)n3c4ccccc4c5c3c6n2c7ccccc7c6c8c5C(=O)NC8)(CO)O

BDBM50073188

Clc1cncc(-c2ccc(cc2)N2CCOCC2)c1N1CCC2(CCNC2=O)CC1

BDBM50073190

Cn1cc(cn1)-c1ccc(cc1)-c1cncc(Cl)c1N1CCC2(CCNC2=O)CC1

BDBM50082111

COCC(=O)N1CCN(CC1)C(=O)[C@H]1CC[C@H](Cn2c(=O)n(C)c3ccc(OC)cc3c2=O)CC1 |r,wU:16.17,wD:13.13,(-16.01,5.07,;-16.01,3.84,;-14.68,3.07,;-14.68,1.53,;-15.75,.91,;-13.35,.75,;-13.35,-.79,;-12.02,-1.56,;-10.68,-.79,;-10.68,.75,;-12.02,1.52,;-9.35,-1.56,;-9.34,-2.79,;-8.01,-.78,;-6.68,-1.55,;-5.34,-.78,;-5.35,.76,;-4.02,1.54,;-2.68,.77,;-2.68,-.77,;-3.75,-1.39,;-1.33,-1.54,;-1.33,-2.77,;,-.77,;1.33,-1.54,;2.66,-.77,;2.66,.77,;4,1.54,;5.06,.92,;1.33,1.54,;,.77,;-1.33,1.54,;-1.33,2.77,;-6.69,1.53,;-8.02,.76,)|

BDBM50441357

FC(F)(F)c1ccc(cc1)-c1nc2CSCCc2c(=O)[nH]1

BDBM50089865

O=C(NCCc1nc(no1)-c1ccccn1)c1ccccc1N1CCC(=O)NC1=O

BDBM50089866

O=C(NCc1ccc(cc1)-n1cccn1)c1ccccc1N1CCC(=O)NC1=O

BDBM50089858

Brc1ccc(CCNC(=O)c2ccccc2N2CCC(=O)NC2=O)cc1

BDBM50089859

Clc1ccc(CCNC(=O)c2ccccc2N2CCC(=O)NC2=O)cc1

BDBM50089862

COc1ccc2C(=O)CC(CC(=O)N[C@@H](CNC(=O)c3ccccc3N3CCC(=O)NC3=O)C(N)=O)c2c1 |r|

BDBM50089863

COc1ccc2C(=O)CC(CC(=O)NCCNC(=O)c3ccccc3N3CCC(=O)NC3=O)c2c1

BDBM50089864

COc1ccc2C(=O)CC(CC(=O)N3CCN(CC3)C(=O)c3ccccc3N3CCC(=O)NC3=O)c2c1

BDBM50094922

O=c1[nH]c(cc2ncccc12)-c1ccccc1

BDBM50094923

O=c1[nH]c(cc2ccncc12)-c1ccccc1

BDBM50094924

Cc1ccc(cc1)-c1cc2cnccc2c(=O)[nH]1

BDBM50094925

CN1CCCC2=C1C=C(NC2=O)c3ccccc3

BDBM50094926

COc1ccc(cc1)-c1cc2N(C)CCCc2c(=O)[nH]1

BDBM50094927

CN1CCCc2c1cc([nH]c2=O)-c1ccc(cc1)C(F)(F)F

BDBM50094928

CN1CCCc2c1cc([nH]c2=O)-c1ccc(Cl)cc1

BDBM50094941

CN1CCCc2c1cc([nH]c2=O)-c1ccc(Br)cc1

BDBM50104197

Fc1ccccc1C1NC(=O)c2cccnc2N1

BDBM50104198

Cc1ccccc1C1NC(=O)c2cccnc2N1

BDBM50104199

Clc1ccccc1C1NC(=O)c2cccnc2N1

BDBM50104200

O=C1NC(Nc2ncccc12)c1ccccc1

BDBM50104201

O=c1[nH]c(nc2OCCc12)N1CCNCC1

BDBM50104202

CCCc1c(C)nc(nc1O)N1CCN(CC1)c1ccccc1F

BDBM50104203

CN1C(NC(=O)c2cccnc12)c1ccc(Cl)cc1Cl

BDBM50104210

CN1C(NC(=O)c2cccnc12)c1ccc(NC(=O)C2CCOCC2)cc1

BDBM50104282

CC(C)C(=O)Nc1ccc(cc1)C1NC(=O)c2cccnc2N1C

BDBM50104283

CN1C(NC(=O)c2cccnc12)c1ccc(NC(=O)C2CCC2)cc1

BDBM50104284

CCc1c(C)nc(nc1O)N1CCN(CC1)c1ccccc1F

BDBM50104285

CN1CCN(CC1)C2=NC3=C(CCCC3)C(=O)N2

BDBM50104286

c1cnccc1CN2CCN(CC2)C3=NC4=C(CCCC4)C(=O)N3

BDBM50104288

CC(C)(C)c1ccc(cc1)C1NC(=O)c2ccccc2N1

BDBM50104287

CC(C)c1ccc(cc1)C1NC(=O)c2ccccc2N1

BDBM50104289

CC(C)(C)c1ccc(cc1)C1NC(=O)c2cccnc2N1

BDBM50104290

CC(C)c1ccc(cc1)C1NC(=O)c2cccnc2N1

BDBM150781

COc1ccc(cc1)C1NC(=O)c2ccccc2N1

BDBM150780

Cc1ccc(cc1)C1NC(=O)c2ccccc2N1

BDBM150782

Clc1ccc(cc1)C1NC(=O)c2ccccc2N1

BDBM50104291

O=C1NC(Nc2ccccc12)c1ccc(OCc2ccccc2)cc1

BDBM50104292

O=C1NC(Nc2ccccc12)c1cccc(OCc2ccccc2)c1

BDBM50104293

O=C1NC(Nc2ccccc12)c1ccccc1OCc1ccccc1

BDBM50104294

Fc1ccccc1C1NC(=O)c2ccccc2N1

BDBM50104297

Cc1ccccc1C1NC(=O)c2ccccc2N1

BDBM50104299

Clc1ccccc1C1NC(=O)c2ccccc2N1

BDBM50106307

O=C1NC(Nc2ccccc12)c1ccccc1

BDBM50104315

COc1ccc(cc1)C1NC(=O)c2cccnc2N1

BDBM50104316

Cc1ccc(cc1)C1NC(=O)c2cccnc2N1

BDBM50104317

Clc1ccc(cc1)C1NC(=O)c2cccnc2N1

BDBM50104318

O=C1NC(Nc2ncccc12)c1ccc(OCc2ccccc2)cc1

BDBM50104319

O=C1NC(Nc2ncccc12)c1cccc(OCc2ccccc2)c1

BDBM50104320

O=C1NC(Nc2ncccc12)c1ccccc1OCc1ccccc1

BDBM50136755

COc1ccc(cc1)C2(CCOCC2)CNC(=O)c3ccc(cc3Cl)NC(=O)c4ccco4

BDBM50136756

Cc1ccc(o1)C(=O)Nc2ccc(cc2)C(=O)NCC3(CCOCC3)c4ccc(cc4)OC

BDBM50136757

COc1ccc(cc1)C(=O)Nc1ccc(C(=O)NCC2(CCOCC2)c2ccc(OC)cc2)c(Cl)c1

BDBM50136758

Cc1ncc(o1)C(=O)Nc2ccc(c(c2)Cl)C(=O)NCC3(CCOCC3)c4ccc(cc4)OC

BDBM50136772

COc1ccc(cc1)C(=O)Nc2ccc(cc2)C(=O)N(c3ccccc3Cl)c4ccncn4

BDBM50136777

COc1ccc(cc1)C2(CCOCC2)CNC(=O)c3ccc(cc3)NC(=O)c4ccco4

BDBM50169058

CC(C)n1cc(cn1)C(=O)C1CCN(CC1)C(=O)CCCc1nc2n(C)ccc2c(=O)[nH]1

BDBM50169059

Cc1ccc2n1nc(CCCC(=O)N1CCC(CC1)Oc1ccc(cc1)C#N)[nH]c2=O

BDBM50169060

COc1ccc(cc1C)C(=O)C1CCN(CC1)C(=O)CCCc1nc2c(C)scc2c(=O)[nH]1

BDBM50169061

COc1ccc(cn1)C(=O)C1CCN(CC1)C(=O)CCCc1cn2cc(F)cc2c(=O)[nH]1

BDBM50169056

COc1ccc(cc1)C(=O)C1CCN(CC1)C(=O)CCCc1cn2cc(F)cc2c(=O)[nH]1

BDBM50169057

COc1ccc(cc1)C(=O)C1CCN(CC1)C(=O)CCCc1cn2c(C)ccc2c(=O)[nH]1

BDBM50019167

Cc1ccc(cc1)C2=Nc3ccccc3C(=O)N2

BDBM50019165

c1ccc2c(c1)C(=O)NC(=N2)c3ccc(cc3)O

BDBM50188469

Oc1cccc2c(O)nc(nc12)-c1ccc(cc1)C(F)(F)F

BDBM50188246

COc1cccc2c1nc([nH]c2=O)-c1ccc(Cl)cc1

BDBM50188249

Oc1cccc2c(O)nc(nc12)-c1ccc(cc1)[N+]([O-])=O

BDBM50188248

Oc1cccc2c1nc([nH]c2=O)-c1ccc(Br)cc1

BDBM50188471

Cc1ccc(cc1)C2=Nc3c(cccc3O)C(=O)N2

BDBM50188247

Oc1cccc2c1nc([nH]c2=O)-c1ccc(F)cc1

BDBM50188594

c1cc(ccc1c2nc3c(c(n2)O)CSCC3)C(F)(F)F

BDBM50439825

c1ccc2c(c1)C(=O)NC(=N2)c3ccc(cc3)C(F)(F)F

BDBM50188518

COc1cccc2c(O)nc(nc12)-c1ccccc1

BDBM50188540

Oc1ccc(cc1)-c1nc(O)c2cccc(O)c2n1

BDBM50188556

COc1cccc2c(O)nc(nc12)-c1ccc(cc1)[N+]([O-])=O

BDBM50188337

c1ccc2c(c1)C(=O)NC(=N2)c3ccc(cc3)Br

BDBM50321122

Clc1ccc(cc1)-c1nc2ccccc2c(=O)[nH]1

BDBM50019164

[O-][N+](=O)c1ccc(cc1)-c1nc2ccccc2c(=O)[nH]1

BDBM50019166

COc1ccc(cc1)-c1nc(O)c2ccccc2n1

BDBM50188597

Oc1nc(nc2ccccc12)-c1ccc(F)cc1

BDBM50188596

Oc1cccc2c(O)nc(nc12)-c1ccccc1

BDBM50188595

Oc1cccc2c1nc([nH]c2=O)-c1ccc(Cl)cc1

BDBM50068759

COc1cccc2c1N=C(NC2=O)c3ccc(cc3)C(F)(F)F

BDBM50188581

c1ccc(cc1)COC(=O)NCc2ccc(cc2)C3=Nc4ccccc4C(=O)N3

BDBM50188593

c1ccc2c(c1)C(=O)NC(=N2)c3ccc(cc3)N

BDBM50188561

COc1cccc2c1nc([nH]c2=O)-c1ccc(Br)cc1

BDBM50188245

Cc1ccc(cc1)C2=Nc3c(cccc3OC)C(=O)N2

BDBM50188473

Nc1ccc(cc1)-c1nc(O)c2cccc(O)c2n1

BDBM50188598

COc1cccc2c(O)nc(nc12)-c1ccc(N)cc1

BDBM50188472

COc1cccc2c1nc([nH]c2=O)-c1ccc(F)cc1

BDBM50188599

Oc1nc(nc2ccccc12)-c1ccccc1

BDBM50188470

COc1ccc(cc1)-c1nc(O)c2cccc(OC)c2n1

BDBM50300690

CC(C)(C)c1cc(NC(=O)Nc2ccc(cc2)-c2cn3c(n2)sc2cc(OCCN4CCOCC4)ccc32)no1

BDBM50326054

CO[C@@H]1[C@@H](C[C@H]2O[C@]1(C)n1c3ccccc3c3c4[C@H](O)NC(=O)c4c4c5ccccc5n2c4c13)N(C)C(=O)c1ccccc1 |r|

BDBM13535

COc1cc2c(ncnc2cc1OCCCN1CCCCC1)N1CCN(CC1)C(=O)Nc1ccc(OC(C)C)cc1

BDBM16673

CNC(=O)c1cc(ccn1)Oc2ccc(cc2)NC(=O)Nc3ccc(c(c3)C(F)(F)F)Cl

BDBM4814

CCN(CC)CCNC(=O)c1c(C)[nH]c(\C=C2/C(=O)Nc3ccc(F)cc23)c1C

BDBM50229705

C1OCN(C1c1ccccc1)c1ccc(cc1)-c1cncc(c1)-c1ncccn1

BDBM50229706

C1Cc2nc(ncc2CS1)-c1ccccc1

BDBM50229707

C(CN1CCOCC1)NCc1ccc(cc1)-c1ccc2C=CCNc2c1 |c:22|

BDBM50229708

C1CC2=C(CS1)N=C(NC2)c1ccccc1 |c:2,7|

BDBM50229709

C1CC2=C(CNC(=N2)c2ccccc2)CO1 |c:6,t:2|

BDBM50229710

C(CCC1CCCCC1)CNc1nnc2SCCn12

BDBM50232346

C[C@H]1CN(C[C@@H](C)N1)c1cc(C)c(cn1)-c1ccc(cc1)-c1nc2n(C)ccc2c(=O)[nH]1 |r|

BDBM50446130

CNCc1ccc(cc1)c2c3c4c(cc(cc4[nH]2)F)C(=O)NCC3

BDBM50145156

Cn1ncnc1[C@H]1[C@@H](Nc2cc(F)cc3c2c1n[nH]c3=O)c1ccc(F)cc1 |r|

BDBM50316226

NC(=O)c1cccc2cn(nc12)-c1ccc(cc1)[C@@H]1CCCNC1 |r|

BDBM27135

C[C@@]1(CCCN1)c2[nH]c3c(cccc3n2)C(=O)N

BDBM27497

CN(C)CC(=O)Nc1ccc2c(c1)-c3ccccc3C(=O)N2

BDBM50234915

Cc1cccc2c1N=C(NC2=O)CCC(=O)Nc3ccc(cc3)C(=O)Nc4cccc5c4nccc5

BDBM50234916

c1ccc2c(c1)C(=O)NC(=N2)CCC(=O)Nc3ccc(cc3)C(=O)Nc4cccc5c4nccc5

BDBM50234917

Cc1cccc2c1nc(CCC(O)=O)[nH]c2=O

BDBM50234918

Nc1ccc(cc1)C(=O)Nc1cccc2cccnc12

BDBM50234919

c1cc2cccnc2c(c1)NC(=O)c3ccc(cc3)N4C(=O)[C@@H]5[C@@H]6CC[C@@H](C6)[C@@H]5C4=O

BDBM50234921

FC(F)(F)c1ccc(cc1)-c1nc2CCSC(=O)c2c(=O)[nH]1

BDBM50234922

OC(=O)CCc1nc(O)c2ccccc2n1

BDBM50250878

Clc1ccccc1-n1c(nnc1-c1ccncn1)[C@H]1C[C@@H](C1)n1c2ccccc2[nH]c1=O |r,wU:20.25,wD:18.20,(23.76,-26.81,;22.43,-27.58,;22.43,-29.12,;21.1,-29.89,;19.76,-29.12,;19.76,-27.58,;21.1,-26.81,;21.1,-25.27,;22.34,-24.37,;21.87,-22.9,;20.33,-22.9,;19.85,-24.37,;18.38,-24.85,;18.06,-26.35,;16.6,-26.83,;15.46,-25.8,;15.78,-24.29,;17.24,-23.81,;23.81,-24.85,;24.5,-26.22,;25.88,-25.51,;25.18,-24.14,;27.34,-25.99,;27.81,-27.46,;27.05,-28.79,;27.81,-30.12,;29.35,-30.12,;30.12,-28.79,;29.35,-27.46,;29.83,-25.99,;28.58,-25.09,;28.58,-23.55,)|

BDBM50250876

Clc1ccccc1-n1c(nnc1-c1ccncn1)[C@H]1CC[C@@H](CC1)n1c2ccc(cc2[nH]c1=O)C#N |r,wU:21.27,wD:18.20,(22.84,-14.09,;21.51,-14.87,;21.51,-16.4,;20.17,-17.18,;18.84,-16.4,;18.84,-14.87,;20.17,-14.09,;20.17,-12.09,;21.42,-11.18,;20.95,-9.72,;19.4,-9.72,;18.93,-11.18,;17.46,-11.67,;17.14,-13.17,;15.68,-13.64,;14.53,-12.62,;14.85,-11.11,;16.32,-10.63,;22.88,-11.67,;23.21,-13.17,;24.67,-13.64,;25.82,-12.62,;25.5,-11.11,;24.03,-10.63,;27.28,-13.09,;27.76,-14.55,;26.98,-15.89,;27.76,-17.22,;29.3,-17.22,;30.07,-15.89,;29.3,-14.55,;29.78,-13.09,;28.53,-12.18,;28.53,-10.65,;30.07,-18.57,;30.84,-19.91,)|

BDBM50250875

Clc1ccccc1-n1c(nnc1-c1ccncn1)[C@H]1C[C@@H](C1)n1c2ccc(cc2[nH]c1=O)C#N |r,wU:20.25,wD:18.20,(25.39,-29.03,;24.05,-29.8,;24.05,-31.34,;22.72,-32.11,;21.39,-31.34,;21.39,-29.8,;22.72,-29.03,;22.72,-27.49,;23.97,-26.59,;23.49,-25.13,;21.95,-25.13,;21.48,-26.59,;20.01,-27.07,;19.69,-28.57,;18.22,-29.05,;17.08,-28.02,;17.4,-26.52,;18.87,-26.04,;25.43,-27.07,;26.13,-28.44,;27.5,-27.74,;26.8,-26.37,;28.97,-28.22,;29.44,-29.68,;28.67,-31.01,;29.44,-32.35,;30.98,-32.35,;31.75,-31.01,;30.98,-29.68,;31.46,-28.22,;30.21,-27.31,;30.21,-25.77,;31.75,-33.68,;32.52,-35.01,)|

BDBM50250877

Clc1ccccc1-n1c(nnc1-c1ccncn1)[C@H]1CC[C@@H](CC1)n1c2ccccc2[nH]c1=O |r,wU:21.27,wD:18.20,(20.48,-13.16,;19.15,-13.93,;19.15,-15.47,;17.81,-16.25,;16.48,-15.47,;16.48,-13.93,;17.81,-13.16,;17.81,-11.16,;19.06,-10.25,;18.59,-8.79,;17.04,-8.79,;16.57,-10.25,;15.1,-10.73,;14.78,-12.23,;13.32,-12.71,;12.17,-11.68,;12.49,-10.18,;13.96,-9.69,;20.52,-10.73,;20.85,-12.23,;22.31,-12.71,;23.46,-11.68,;23.14,-10.18,;21.67,-9.69,;24.92,-12.15,;25.4,-13.62,;24.62,-14.96,;25.4,-16.29,;26.93,-16.29,;27.71,-14.96,;26.93,-13.62,;27.42,-12.15,;26.17,-11.25,;26.17,-9.71,)|

BDBM50250879

Clc1ccccc1-n1c(nnc1-c1ccncn1)-c1ccc(cc1)-n1c2ccc(cc2[nH]c1=O)C#N |(25.56,-15.85,;24.02,-16.05,;23.44,-17.48,;21.9,-17.68,;20.97,-16.43,;21.57,-15.02,;23.09,-14.83,;23.69,-13.41,;25.18,-13,;25.24,-11.47,;23.79,-10.94,;22.84,-12.13,;21.3,-12.13,;20.53,-13.46,;18.98,-13.46,;18.21,-12.13,;18.98,-10.8,;20.53,-10.8,;26.43,-13.89,;26.28,-15.43,;27.54,-16.32,;28.94,-15.68,;29.08,-14.14,;27.83,-13.24,;30.18,-16.57,;30.27,-18.1,;29.18,-19.2,;29.57,-20.66,;31.07,-21.07,;32.15,-19.99,;31.75,-18.5,;32.58,-17.2,;31.62,-16.02,;32.03,-14.53,;31.48,-22.56,;31.89,-24.06,)|

BDBM50380590

COc1ccc(cc1)-c1noc(CSc2nnc(C)n2-c2ccc(OC)cc2)n1

BDBM50380591

Oc1c2[C@@H]3C[C@H](C=C3)c2c(O)n1-c1ccc(cc1)C(=O)Nc1cccc2cccnc12 |r,c:6|

BDBM50380592

COc1ccc(cc1)-n1c(SCc2nc(no2)-c2ccc(C)cc2)nnc1-c1ccncc1

BDBM50380593

C(Sc1nnc(-c2ccccc2)n1-c1ccccc1)c1nc(no1)-c1ccccc1

BDBM50380594

COc1ccc(cc1OC)-c1noc(CSc2nnc(C)n2-c2ccccc2)n1

BDBM50380595

COc1ccc(cc1)-n1c(C)nnc1SCc1nc(no1)-c1ccc(OC)c(OC)c1

BDBM50380596

CCc1ccc(cc1)-n1c(C)nnc1SCc1nc(no1)-c1ccc(OC)cc1

BDBM50380597

COc1ccc(cc1)-c1noc(CSc2nnc(C)n2-c2cccc(C)c2)n1

BDBM50380598

COc1ccc(cc1)-c1noc(CSc2nnc(C)n2-c2ccc(C)cc2)n1

BDBM50380599

COc1ccc(cc1)-c1noc(CSc2nnc(C)n2-c2ccc(F)cc2)n1

BDBM50380600

Cc1nnc(SCc2nc(no2)-c2ccc(Cl)cc2)n1-c1ccc(F)cc1

BDBM50380601

Cc1nnc(SCc2nc(no2)-c2ccc(C)cc2)n1-c1ccc(F)cc1

BDBM50380602

Cc1nnc(SCc2nc(no2)-c2ccc(C)cc2)n1-c1ccc(C)c(C)c1

BDBM50380603

Cc1nnc(SCc2nc(no2)-c2ccc(C)cc2)n1-c1ccc(C)cc1

BDBM50380604

Fc1ccc(cc1)-c1nnc(SCc2nc(no2)-c2ccccc2)n1-c1ccccc1

BDBM50380605

C(Sc1nnc(-c2cccs2)n1-c1ccccc1)c1nc(no1)-c1ccccc1

BDBM50380606

C(Sc1nnc(-c2ccco2)n1-c1ccccc1)c1nc(no1)-c1ccccc1

BDBM50380607

COc1ccc(cc1)-n1c(SCc2nc(no2)-c2ccc(C)cc2)nnc1-c1ccccc1

BDBM50380608

COc1ccc(cc1)-c1noc(CSc2nnc(-c3ccncc3)n2-c2ccccc2)n1

BDBM50380609

COc1ccc(cc1)-c1noc(CSc2nnc(-c3ccncc3)n2-c2ccc(C)c(C)c2)n1

BDBM50380610

COc1ccc(cc1)-c1noc(CSc2nnc(-c3ccncc3)n2-c2ccc(C)cc2)n1

BDBM50380611

CCOc1ccc(cc1)-n1c(SCc2nc(no2)-c2ccc(OC)cc2)nnc1-c1ccncc1

BDBM50380612

COc1ccc(cc1)-c1noc(CSc2nnc(-c3ccncc3)n2-c2ccc(OC)cc2)n1

BDBM50380613

Cc1ccc(cc1)-n1c(SCc2nc(no2)-c2ccccc2)nnc1-c1ccncc1

BDBM50380614

COc1ccc(cc1)-n1c(SCc2nc(no2)-c2ccccc2)nnc1-c1ccncc1

BDBM50382969

Oc1c2[C@H]3C[C@H](C=C3)c2c(O)n1-c1ccc(cc1)C(=O)Nc1ccccc1 |r,c:6|

BDBM50294835

Oc1c2[C@H]3C[C@H](C=C3)c2c(O)n1-c1ccc(cc1)C(=O)Nc1cccc2cccnc12 |r,c:6|

BDBM50294799

Oc1c2[C@H]3C[C@H](C=C3)c2c(O)n1-c1ccc(cc1)C(=O)Nc1ccc(Br)cc1 |r,c:6|

BDBM50294813

Oc1c2[C@H]3C[C@H](C=C3)c2c(O)n1-c1ccc(cc1)C(=O)NCc1ccccc1 |r,c:6|

BDBM50294816

Oc1c2[C@H]3C[C@H](C=C3)c2c(O)n1-c1ccc(cc1)C(=O)NCc1ccncc1 |r,c:6|

BDBM50382971

CO[C@H]1CCCC[C@@H]1NC(=O)c1ccc(cc1)-n1c(O)c2[C@H]3C[C@H](C=C3)c2c1O |r,c:26|

BDBM50294819

Oc1c2[C@H]3C[C@H](C=C3)c2c(O)n1-c1ccc(cc1)C(=O)NC1CCCCC1 |r,c:6|

BDBM50294836

Oc1c2[C@H]3CC[C@H](C3)c2c(O)n1-c1ccc(cc1)C(=O)Nc1cccc2cccnc12 |r|

BDBM199181

c1cc(ccc1C(=O)N)Oc2ccc(cc2)C(=O)N

BDBM50407494

Cc1ccccc1-n1c(\C=C\c2nnc(o2)-c2ccc(cc2)C#N)nnc1-c1ccc(cn1)S(C)(=O)=O |(-1.69,1.46,;-3.23,1.46,;-4.01,2.79,;-5.54,2.79,;-6.31,1.45,;-5.54,.12,;-4,.12,;-3.23,-1.21,;-1.7,-1.56,;-.61,-.47,;.88,-.87,;1.96,.22,;1.57,1.71,;2.9,2.55,;4.06,1.6,;3.49,.22,;5.55,2,;6.64,.9,;8.12,1.31,;8.52,2.79,;7.43,3.88,;5.95,3.48,;10.01,3.19,;11.49,3.59,;-1.55,-3.05,;-2.97,-3.67,;-4,-2.54,;-5.54,-2.54,;-6.31,-3.88,;-7.85,-3.88,;-8.62,-2.55,;-7.85,-1.22,;-6.31,-1.22,;-10.16,-2.55,;-10.93,-3.88,;-10.16,-1,;-11.49,-1.78,)|

BDBM50407495

CC(C)(C)c1ccc(cc1)-c1nc(O)c2CSCCc2n1

BDBM50407813

CCc1ccc(OCC(=O)Nc2sc(C)c(C)c2C(N)=O)c(F)c1

BDBM50444583

CC1(C)OC(=O)N([C@H]1c1ccccc1)[C@H]1CC[C@@H](CC1)c1cnc(N)c(c1)-c1ncccn1 |r,wU:17.22,7.8,wD:14.15,(49.17,-3.5,;50.51,-4.26,;49.19,-5.04,;51.4,-3,;52.87,-3.46,;54.11,-2.55,;52.89,-5,;51.43,-5.5,;50.7,-6.85,;49.16,-6.89,;48.43,-8.25,;49.24,-9.56,;50.79,-9.51,;51.51,-8.15,;54.14,-5.9,;54.14,-7.45,;55.47,-8.22,;56.81,-7.45,;56.8,-5.9,;55.47,-5.13,;58.14,-8.21,;59.46,-7.44,;60.8,-8.2,;60.8,-9.75,;62.14,-10.52,;59.47,-10.52,;58.14,-9.76,;59.47,-12.05,;58.14,-12.83,;58.14,-14.36,;59.47,-15.13,;60.81,-14.35,;60.8,-12.82,)|

BDBM50407814

O=C(CCC1CCCC1)Nc1nnc2SCCn12

BDBM50468269

COc1cc2c(cc1OC)ncnc2N3CCC(CC3)CN4Cc5ccccc5NC4=O

BDBM50505333

CC(C)(c1ccc(cc1)C2=Nc3c(cc(cc3F)F)C(=O)N2)O

BDBM50407965

COc1cccc2c1cc([nH]c2=O)-c1ccc(C)cc1

BDBM50407966

O=C(CCSc1nc2ccccc2c(=O)[nH]1)Nc1ccc(Oc2ccc(cc2)C#N)cc1

BDBM50425969

COc1ccccc1NC(=O)c2ccc(cc2)NC(=O)CCC3=Nc4ccccc4C(=O)N3

BDBM50498905

Cc1cccc2c1c1COC(Cc1[nH]c2=O)C(C)(C)CO

BDBM50407967

CN(C)c1ccc2c(-c3ccc(cc3C([O-])=O)C(=O)NCCCCCC(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@H]3CCn4cc(nn4)-c4cc(cc(c4)C4=CN(CC[C@H](NC(=O)CNC(=O)[C@H](CC(O)=O)NC(=O)CNC3=O)C(=O)N[C@@H](CCC(O)=O)C(N)=O)NN4)C(O)=O)c3ccc(cc3oc2c1)=[N+](C)C |wU:39.40,90.94,wD:28.29,48.48,75.78,67.90,t:65,(-22.74,8.7,;-21.41,9.47,;-21.41,11.01,;-20.07,8.7,;-20.07,7.15,;-18.74,6.39,;-17.41,7.16,;-16.08,6.39,;-16.08,4.85,;-17.42,4.08,;-17.41,2.54,;-16.08,1.77,;-14.74,2.55,;-14.74,4.08,;-13.41,4.85,;-12.08,4.08,;-14.18,6.18,;-16.08,.23,;-17.41,-.54,;-14.74,-.54,;-13.41,.23,;-12.08,-.54,;-10.74,.23,;-9.41,-.54,;-8.08,.23,;-6.74,-.54,;-6.74,-2.08,;-5.41,.23,;-4.07,-.54,;-4.07,-2.08,;-2.74,-2.85,;-2.74,-4.39,;-1.41,-5.16,;-1.41,-6.7,;-2.74,-7.47,;-.07,-7.47,;-2.74,.23,;-2.74,1.77,;-1.41,-.54,;-.07,.23,;-.07,1.77,;-1.41,2.54,;-1.41,4.08,;-2.74,4.85,;-.07,4.85,;1.26,-.54,;1.26,-2.08,;2.59,.23,;3.93,-.54,;3.93,-2.08,;5.44,-2.38,;5.93,-3.84,;7.43,-4.15,;7.59,-5.71,;6.22,-6.33,;5.18,-5.18,;8.97,-6.4,;9.06,-7.95,;10.45,-8.62,;11.72,-7.78,;11.63,-6.24,;10.26,-5.55,;12.91,-5.39,;12.82,-3.85,;14.29,-3.29,;14.54,-1.6,;15.7,-1.16,;16.1,.33,;15.01,1.42,;14.24,2.75,;15.01,4.08,;12.7,2.75,;11.93,4.08,;10.6,4.85,;10.6,6.39,;9.26,4.08,;9.26,2.54,;10.6,1.77,;10.6,.23,;11.93,2.54,;7.93,4.85,;6.59,4.08,;5.26,4.85,;6.59,2.54,;5.26,1.77,;5.26,.23,;6.59,-.54,;17.59,.73,;17.99,2.21,;18.68,-.36,;20.16,.04,;20.56,1.52,;19.47,2.61,;19.87,4.1,;18.78,5.19,;21.36,4.5,;21.25,-1.05,;22.74,-.65,;20.85,-2.54,;15.24,-4.46,;14.4,-5.76,;10.54,-10.16,;11.92,-10.85,;9.26,-11.01,;-14.74,7.16,;-13.41,6.39,;-12.07,7.16,;-12.07,8.7,;-13.41,9.47,;-14.74,8.7,;-16.08,9.47,;-17.41,8.7,;-18.74,9.47,;-10.74,9.47,;-10.74,11.01,;-9.41,8.7,)|

BDBM50407969

CC(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@H]1CCCCn2cc(CCCCCc3cn(CCCC[C@@H](NC(=O)CNC(=O)[C@@H](CC(O)=O)NC(=O)CNC1=O)C(=O)N[C@H](CCC(O)=O)C(N)=O)nn3)nn2 |r|

BDBM50288521

CC(C)(C)OC(=O)N1CCC2(CCN(C2)C(=O)c2cc(Cc3n[nH]c(=O)c4ccccc34)ccc2F)CC1

BDBM50288516

CC(C)(C)OC(=O)N1CCC2(CCN(C2)C(=O)c2cc(Cc3n[nH]c(=O)c4ccccc34)ccc2F)C1

BDBM50288523

CC(C)(C)OC(=O)N1CCC2(CC1)CCN(CC2)C(=O)c1cc(Cc2n[nH]c(=O)c3ccccc23)ccc1F

BDBM50409638

CC(C)(C)c1ccc(cc1)-c1cn2cncc2c(=O)[nH]1

BDBM50409637

Cc1ncc2n1cc([nH]c2=O)-c1ccc(cc1)C(C)(C)C

BDBM50409636

Cc1ncc2n1cc([nH]c2=O)-c1ccc(cc1)C(C)(C)O

BDBM50409635

Cc1cc2n(cc([nH]c2=O)-c2ccc(cc2)C(C)(C)O)n1

BDBM50409634

Cc1ccc2n1nc([nH]c2=O)-c1ccc(cc1)C(C)(C)O

BDBM50409633

Cc1cc2n(n1)nc([nH]c2=O)-c1ccc(cc1)C(C)(C)O

BDBM50409632

Cc1csc2c1nc([nH]c2=O)-c1ccc(cc1)C(C)(C)O

BDBM50409631

CC(C)(O)c1ccc(cc1)-c1cn2cccc2c(=O)[nH]1

BDBM50409630

CC(C)(O)c1ccc(cc1)-c1cn2cc(Cl)cc2c(=O)[nH]1

BDBM50409629

CC(C)(O)c1ccc(cc1)-c1cn2cc(F)cc2c(=O)[nH]1

BDBM50409628

CC(C)(O)c1ccc(cc1)-c1cn2c(F)ccc2c(=O)[nH]1

BDBM50409626

CC(C)(O)c1ccc(cc1)-c1cn2c(F)c(F)cc2c(=O)[nH]1

BDBM50409625

Cc1cc2n(c1)cc([nH]c2=O)-c1ccc(cc1)C(C)(C)O

BDBM50593627

Cc1ccc2n1cc([nH]c2=O)-c1ccc(cc1)C(C)(C)O

BDBM50409617

CC(C)(O)c1ccc(cc1)-c1cn2c(CO)ccc2c(=O)[nH]1

BDBM50409618

Cc1ccc2n1cc([nH]c2=O)-c1ccc(cc1)C(C)(C)OCCO

BDBM50409619

Cc1ccc2n1cc([nH]c2=O)-c1ccc(cc1)C1(O)CC1

BDBM50409620

Cc1ccc2n1cc([nH]c2=O)-c1ccc(cc1)C1(O)COC1

BDBM50409621

Cc1ccc2n1cc([nH]c2=O)-c1ccc(cc1)[C@@](C)(O)CO |r|

BDBM50409622

Cc1ccc2n1cc([nH]c2=O)-c1ccc(cc1)[C@](C)(O)CCO |r|

BDBM50409623

Cc1ccc2n1cc([nH]c2=O)-c1ccc(cc1)[C@@](C)(O)CCO |r|

BDBM50409624

Cc1ccc2n1cc([nH]c2=O)-c1ccc(cc1)[C@](C)(O)CO |r|

BDBM50425970

Cc1ccnc2c(NC(=O)c3ccc(cc3)-n3c(O)c4[C@H]5C[C@H](C=C5)c4c3O)cccc12 |r,c:24|

BDBM50427989

CS(=O)(=O)c1ccc(nc1)-c1nnc(\C=C\c2nnc(o2)-c2ccc(cc2)C#N)n1-c1ccccc1Cl |(62.04,-5.04,;60.89,-4.01,;60.11,-2.67,;61.66,-2.66,;59.43,-4.48,;58.27,-3.45,;56.81,-3.93,;56.5,-5.43,;57.64,-6.47,;59.11,-5.99,;55.04,-5.91,;54.56,-7.37,;53.02,-7.37,;52.55,-5.91,;51.08,-5.43,;49.94,-6.46,;48.47,-5.99,;48,-4.52,;46.46,-4.52,;45.98,-5.98,;47.23,-6.89,;44.52,-6.46,;43.37,-5.43,;41.92,-5.9,;41.6,-7.41,;42.74,-8.44,;44.2,-7.96,;40.13,-7.89,;38.67,-8.37,;53.79,-5,;53.8,-3.47,;55.13,-2.69,;55.13,-1.14,;53.79,-.38,;52.46,-1.15,;52.46,-2.7,;51.13,-3.46,)|

BDBM50427990

COc1cc(ccn1)-c1nnc(\C=C\c2nnc(-c3ccc(cn3)S(C)(=O)=O)n2-c2ccccc2Cl)o1 |(21.12,-33.39,;20.81,-34.9,;21.95,-35.93,;23.41,-35.45,;24.55,-36.49,;24.24,-37.99,;22.78,-38.47,;21.64,-37.43,;26.02,-36,;26.5,-34.54,;28.04,-34.54,;28.51,-36.01,;29.97,-36.49,;31.12,-35.46,;32.58,-35.93,;33.06,-37.4,;34.6,-37.4,;35.08,-35.93,;36.53,-35.45,;36.85,-33.95,;38.31,-33.47,;39.46,-34.51,;39.14,-36.01,;37.68,-36.49,;40.93,-34.03,;41.25,-32.52,;42.41,-34.42,;41.33,-35.51,;33.83,-35.03,;33.83,-33.49,;35.17,-32.72,;35.16,-31.17,;33.83,-30.4,;32.5,-31.17,;32.5,-32.72,;31.16,-33.49,;27.27,-36.91,)|

BDBM50427991

Fc1ccc(cc1)-c1nnc(C=Cc2nnc(o2)-c2cc[nH]c(=O)c2)n1-c1ccccc1Cl |w:11.11,(19.56,-34.16,;18.1,-34.64,;17.78,-36.15,;16.31,-36.62,;15.17,-35.59,;15.49,-34.09,;16.94,-33.61,;13.71,-36.06,;13.23,-37.53,;11.69,-37.53,;11.22,-36.06,;9.75,-35.59,;8.61,-36.62,;7.14,-36.14,;6.67,-34.67,;5.13,-34.67,;4.65,-36.14,;5.9,-37.04,;3.19,-36.62,;2.87,-38.12,;1.41,-38.6,;.27,-37.57,;.59,-36.06,;-.56,-35.03,;2.04,-35.58,;12.46,-35.16,;12.47,-33.62,;13.8,-32.85,;13.8,-31.3,;12.46,-30.53,;11.14,-31.31,;11.13,-32.85,;9.8,-33.62,)|

BDBM50427992

CS(=O)(=O)c1ccc(nc1)-c1nnc(SCc2nnc(o2)-c2ccc(Cl)cc2)n1-c1ccccc1Cl |(68.61,-24.56,;67.46,-23.53,;67.06,-22.04,;68.55,-22.43,;66,-24.01,;64.84,-22.98,;63.38,-23.46,;63.07,-24.96,;64.21,-25.99,;65.67,-25.52,;61.61,-25.43,;61.13,-26.9,;59.59,-26.9,;59.12,-25.43,;57.65,-24.96,;56.51,-25.99,;55.04,-25.51,;54.57,-24.04,;53.03,-24.04,;52.55,-25.51,;53.8,-26.41,;51.09,-25.99,;49.94,-24.95,;48.48,-25.43,;48.17,-26.94,;46.7,-27.41,;49.31,-27.97,;50.77,-27.49,;60.36,-24.53,;60.37,-22.99,;61.7,-22.22,;61.7,-20.67,;60.36,-19.9,;59.03,-20.67,;59.03,-22.22,;57.7,-22.99,)|

BDBM50427993

Cc1ccc(cc1)-c1nnc(CCc2nnc(-c3ccncc3)n2-c2ccccc2Cl)o1 |(22.9,-28.61,;24.36,-28.13,;24.68,-26.63,;26.13,-26.15,;27.28,-27.19,;26.96,-28.69,;25.5,-29.17,;28.74,-26.7,;29.22,-25.24,;30.76,-25.24,;31.23,-26.71,;32.7,-27.18,;33.84,-26.15,;35.31,-26.63,;35.78,-28.1,;37.32,-28.1,;37.8,-26.63,;39.26,-26.15,;40.4,-27.19,;41.87,-26.71,;42.19,-25.21,;41.03,-24.17,;39.58,-24.65,;36.55,-25.73,;36.56,-24.19,;37.89,-23.42,;37.89,-21.87,;36.55,-21.1,;35.22,-21.87,;35.22,-23.42,;33.89,-24.19,;29.99,-27.61,)|

BDBM50427994

Cc1cc2nc(CSc3nnc(-c4ccncc4)n3-c3ccccc3Cl)cc(=O)n2cc1C |(1.18,-29.96,;2.33,-28.94,;3.79,-29.42,;4.93,-28.4,;6.4,-28.88,;7.53,-27.85,;9,-28.32,;10.14,-27.29,;11.61,-27.77,;12.09,-29.23,;13.63,-29.23,;14.1,-27.77,;15.57,-27.29,;16.71,-28.33,;18.18,-27.85,;18.5,-26.34,;17.34,-25.31,;15.88,-25.79,;12.86,-26.86,;12.86,-25.32,;14.2,-24.55,;14.19,-23,;12.86,-22.23,;11.53,-23.01,;11.53,-24.55,;10.19,-25.32,;7.22,-26.34,;5.76,-25.86,;5.45,-24.35,;4.62,-26.89,;3.17,-26.41,;2.02,-27.43,;.55,-26.95,)|

BDBM50427995

Clc1ccccc1-n1c(SCc2nnc(o2)-c2ccc(cc2)C#N)nnc1-c1ccncc1 |(73,-11.83,;74.34,-11.06,;74.34,-9.51,;75.67,-8.74,;77,-9.51,;77.01,-11.06,;75.67,-11.83,;75.67,-13.37,;74.42,-14.27,;72.96,-13.8,;71.81,-14.83,;70.35,-14.35,;69.87,-12.88,;68.33,-12.88,;67.86,-14.35,;69.1,-15.25,;66.39,-14.83,;65.25,-13.79,;63.79,-14.27,;63.47,-15.78,;64.61,-16.81,;66.07,-16.33,;62.01,-16.25,;60.55,-16.73,;74.9,-15.74,;76.44,-15.74,;76.91,-14.27,;78.37,-13.8,;79.52,-14.83,;80.98,-14.35,;81.3,-12.85,;80.15,-11.81,;78.69,-12.29,)|

BDBM50427996

COc1ccc(cc1)-n1c(NCc2nc(no2)-c2ccc(C)cc2)nnc1-c1ccncc1

BDBM50427997

COc1ccc(cc1)-n1c(OCc2nc(no2)-c2ccc(C)cc2)nnc1-c1ccncc1

BDBM50310190

Cc1ccc(cc1)C2=CC(=O)c3ccccc3O2

BDBM89825

c1ccc2c(c1)C(=O)C=C(O2)c3ccc(cc3)F

BDBM50157555

c1ccc2c(c1)C(=O)C=C(O2)c3ccc(c(c3)O)O

BDBM50431165

c1ccc2c(c1)C(=O)C=C(O2)c3cccc(c3)O

BDBM50077325

c1cc(c(cc1C2=CC(=O)c3ccc(cc3O2)O)O)O

BDBM85573

COc1ccc(cc1)C2=CC(=O)c3ccc(cc3O2)O

BDBM26659

c1cc(cc(c1)O)C2=CC(=O)c3ccc(cc3O2)O

BDBM7459

c1cc(c(cc1C2=CC(=O)c3c(cc(cc3O2)O)O)O)O

BDBM7458

c1cc(ccc1C2=CC(=O)c3c(cc(cc3O2)O)O)O

BDBM50028962

c1ccc(cc1)C2=CC(=O)c3ccccc3O2

BDBM50462627

COc1cc(CC=C)cc(c1O)-c1cc(CC=C)cc(O)c1O

BDBM50462628

COc1cc(CCCOC(C)=O)cc(c1O)-c1cc(CCCOC(C)=O)cc(OC)c1O

BDBM50462629

COc1cc(CCCO)cc(c1O)-c1cc(CCCO)cc(OC)c1O

BDBM50468272

[H][C@@]12[C@H]3C[C@H](C=C3)[C@]1([H])C(=O)C(C2=O)c1ccc(cc1)C(=O)Nc1cccc2cccnc12 |r,c:5|

BDBM139658

O=c1[nH]nc2[nH]c(CN3Cc4ccccc4C3)nc3cccc1c23

BDBM50468581

NC(=O)c1ccc(Oc2ccc(C=O)cc2)cc1

BDBM50452662

NC(=O)c1ccc(OCc2ccccc2F)cc1

BDBM50468579

c1cc(ccc1C(=O)N)Oc2ccc(cc2)C(=O)O

BDBM50340090

COc1ccc(cc1)C(=O)N

BDBM50495332

Cc1c(F)ccc2n(Cc3cccc(c3C#N)C(F)(F)F)c(=O)n(C[C@H]3CC[C@@H](CC3)C(O)=O)c(=O)c12 |r,wU:28.32,wD:25.25,(15.29,-18.93,;15.3,-20.47,;13.97,-21.24,;12.63,-20.47,;13.96,-22.79,;15.3,-23.56,;16.63,-22.78,;17.96,-23.55,;17.95,-25.09,;16.62,-25.86,;15.29,-25.08,;13.96,-25.85,;13.95,-27.39,;15.29,-28.16,;16.62,-27.4,;17.95,-28.15,;19.29,-28.93,;15.29,-29.7,;13.96,-30.48,;16.63,-30.48,;15.28,-31.24,;19.3,-22.79,;20.64,-23.56,;19.3,-21.24,;20.64,-20.47,;21.98,-21.25,;21.96,-22.79,;23.29,-23.55,;24.62,-22.8,;24.63,-21.26,;23.3,-20.47,;25.95,-23.57,;25.95,-25.12,;27.29,-22.82,;17.96,-20.46,;17.96,-18.92,;16.63,-21.24,)|

BDBM50495333

Cc1cccc2n(Cc3cccc(c3C#N)C(F)(F)F)c(=O)n(C[C@H]3CC[C@H](CC3)C(O)=O)c(=O)c12 |r,wD:24.24,27.31,(17.04,-20.13,;17.04,-21.67,;15.72,-22.44,;15.71,-23.99,;17.05,-24.75,;18.38,-23.98,;19.71,-24.75,;19.71,-26.29,;18.37,-27.06,;17.04,-26.28,;15.71,-27.05,;15.7,-28.59,;17.04,-29.36,;18.38,-28.59,;19.71,-29.35,;21.04,-30.12,;17.04,-30.89,;18.38,-31.67,;17.03,-32.43,;15.71,-31.67,;21.05,-23.98,;22.38,-24.75,;21.05,-22.44,;22.39,-21.67,;23.72,-22.45,;23.7,-23.98,;25.02,-24.75,;26.36,-24,;26.37,-22.46,;25.04,-21.67,;27.7,-24.77,;27.69,-26.31,;29.04,-24.02,;19.72,-21.66,;19.72,-20.12,;18.38,-22.44,)|

BDBM50495334

OC(=O)[C@H]1CC[C@H](Cn2c(=O)n(Cc3cccc(c3C#N)C(F)(F)F)c3ccccc3c2=O)CC1 |r,wU:3.2,wD:6.6,(28.1,-25.27,;28.1,-23.73,;29.44,-22.98,;26.77,-22.95,;25.43,-23.71,;24.11,-22.94,;24.12,-21.4,;22.79,-20.63,;21.46,-21.4,;21.46,-22.94,;22.79,-23.71,;20.12,-23.71,;20.11,-25.25,;18.78,-26.02,;17.45,-25.24,;16.11,-26.01,;16.11,-27.55,;17.45,-28.31,;18.78,-27.55,;20.11,-28.31,;21.45,-29.08,;17.45,-29.85,;18.79,-30.63,;16.12,-30.63,;17.44,-31.39,;18.79,-22.94,;17.45,-23.71,;16.12,-22.94,;16.12,-21.4,;17.45,-20.63,;18.79,-21.39,;20.12,-20.62,;20.12,-19.08,;25.45,-20.63,;26.78,-21.41,)|

BDBM50497560

Cc1ccc(cc1)-c1nc2c3ccccc3sc2c(=O)[nH]1

BDBM50497559

CC(C)(C)c1ccc(cc1)-c1nc2c3ccccc3sc2c(=O)[nH]1

BDBM50468270

O=c1[nH]c2ccccc2c2c3ccccc3sc12

BDBM50497558

O=c1[nH]c(cc2c3ccccc3sc12)-c1ccccc1

BDBM50498898

CC(C)C1Cc2[nH]c(=O)c3ccccc3c2CO1

BDBM50498899

CC(C)C1Cc2[nH]c(=O)c3cccnc3c2CO1

BDBM50498900

CS(=O)(=O)N1CCC(C1)C1Cc2[nH]c(=O)c3ccccc3c2CO1

BDBM50498897

CC(C)(CO)C1Cc2[nH]c(=O)c3ccccc3c2CO1

BDBM50498901

CC(C)(C)C1Cc2[nH]c(=O)c3ccccc3c2CO1

BDBM50498904

CC(C)C1Cc2[nH]c(=O)c3cccc(C)c3c2CO1

BDBM50498902

CC(C)C1Cc2nc(O)c(cc2CO1)C#N

BDBM50498903

O=C(C1COC1)N1CCC(CC1)C1Cc2[nH]c(=O)c3ccccc3c2CO1

BDBM50499822

C[C@H]1Cn2c(CN1C(=O)c1cccc(c1)C(F)(F)c1n[nH]c(=O)c3ccccc13)nnc2C(C)(F)F |r|

BDBM50499821

c1ccc2c(c1)C(=NNC2=O)Cc3cccc(c3)C(=O)N4CCN(CC4)c5c(cccn5)C#N

BDBM50501855

NC(=O)c1cccc2C(=O)\C(Oc12)=C\c1ccc(cc1)C(=O)N1CCN(CC1)c1nc2ccccc2[nH]1

BDBM50501830

NC(=O)c1cccc2C(=O)\C(Oc12)=C\c1ccc(cc1)C(=O)N1CCn2c(C1)nnc2C(F)(F)F

BDBM50501829

NC(=O)c1cccc2C(=O)\C(Oc12)=C\c1ccc(cc1)C(=O)NCCc1nc2c(cccc2[nH]1)C(N)=O

BDBM50503853

Cc1c2CCNC(=O)c2ccc1-c1ccnc(c1)C(F)(F)F

BDBM50505326

COc1cccc2c1nc([nH]c2=O)-c1ccc(cc1)C(C)(C)O

BDBM50505331

Cc1cc(F)cc2c1nc([nH]c2=O)-c1ccc(cc1)C(C)(C)O

BDBM50505332

Cc1cc(F)cc2c1nc([nH]c2=O)-c1ccc(cc1)C1CCNCC1

BDBM50505324

Cc1cccc2c1nc([nH]c2=O)-c1ccc(cc1)C(C)(C)O

BDBM50505330

CC(C)(O)c1ccc(cc1)-c1nc2c(F)ccc(F)c2c(=O)[nH]1

BDBM50505334

Cc1cc(F)cc2c1nc([nH]c2=O)-c1ccc(cc1)C(C)(C)OCCO

BDBM50505328

CC(C)(O)c1ccc(nc1)-c1nc2ccc(F)cc2c(=O)[nH]1

BDBM50505335

CN1CCN(CC1)c1ccc(cc1)-c1nc2c(C)cc(F)cc2c(=O)[nH]1

BDBM50505336

CN1CCC(CC1)c1ccc(cc1)-c1nc2c(F)cc(F)cc2c(=O)[nH]1

BDBM50505325

CN1CCC(CC1)c1ccc(cc1)-c1nc2c(C)cc(F)cc2c(=O)[nH]1

BDBM50505337

O=c1[nH]c(nc2ccccc12)-c1ccc2OCOc2c1

BDBM50505327

CC(C)(C)c1ccc(cc1)-c1nc2ccc(F)cc2c(=O)[nH]1

BDBM50505338

CC(C)(O)c1ccc(cc1)-c1nc2ccccc2c(=O)[nH]1

BDBM50505329

CC(C)(O)c1ccc(cc1)-c1nc2cccc(F)c2c(=O)[nH]1

BDBM50505347

CC(C)(O)c1ccc(cc1)-c1nc2ccc(Cl)cc2c(=O)[nH]1

BDBM50505341

CC(C)(O)c1ccc(cc1)-c1nc2c(Cl)cccc2c(=O)[nH]1

BDBM50505348

CC(C)(O)c1ccc(cc1)-c1nc2ccc(F)c(F)c2c(=O)[nH]1

BDBM50505343

COCCOC(C)(C)c1ccc(cc1)-c1nc2ccc(F)cc2c(=O)[nH]1

BDBM50505346

Fc1cc(F)c2nc([nH]c(=O)c2c1)-c1ccc(cc1)C1CCNCC1

BDBM50505345

CN1CCN(CC1)c1ccc(cc1)-c1nc2ccc(F)cc2c(=O)[nH]1

BDBM50505340

CC(C)(O)c1ccc(cc1)-c1nc2c(F)cccc2c(=O)[nH]1

BDBM50505342

CC(C)(OCCO)c1ccc(cc1)-c1nc2ccc(F)cc2c(=O)[nH]1

BDBM50468271

CC(C)(C)c1ccc(cc1)C2=Nc3ccccc3C(=O)N2

BDBM50505339

CC(C)(O)c1ccc(cc1)-c1nc2ccc(F)cc2c(=O)[nH]1

BDBM50505344

CC(C)(O)c1ccc(cc1)-c1nc2cccc(Cl)c2c(=O)[nH]1

BDBM50511538

COCCN1C(=O)C2(CCN(CC2)c2nc3N(C)CCCc3c(=O)[nH]2)c2c1cc(F)cc2F

BDBM50511539

CN(C)CCOc1cc2N(C)C(=O)C3(CCN(CC3)c3nc4N(C)CCCc4c(=O)[nH]3)c2c(F)c1

BDBM50511540

CN1C(=O)C2(CCN(CC2)c2nc3N(C)CCCc3c(=O)[nH]2)c2c1cc(cc2F)N1CCNCC1

BDBM50511543

Cc1cccc2c1nc([nH]c2=O)N1CCC2(CN(CCO)c3cc(F)cc(F)c23)CC1

BDBM50511562

OCCN1C(=O)C2(CCN(CC2)c2nc3CCCCc3c(=O)[nH]2)c2c1cc(F)cc2F

BDBM50511536

Cc1cccc2c1nc([nH]c2=O)N1CCC2(CC1)C(=O)N(CCO)c1cc(F)cc(F)c21

BDBM50511549

CN1CCCc2c1nc([nH]c2=O)N1CCC2(CN(CCO)c3cc(F)cc(F)c23)CC1

BDBM50511550

Cn1ccc2c1nc([nH]c2=O)N1CCC2(CC1)C(=O)N(CCO)c1cc(F)cc(F)c21

BDBM50511551

CN1CCc2c1nc([nH]c2=O)N1CCC2(CN(CCO)c3cc(F)cc(F)c23)CC1

BDBM50511552

CN1C(=O)C2(CCN(CC2)c2nc3N(C)CCCc3c(=O)[nH]2)c2c1cc(F)cc2F

BDBM50511537

CN1CCCc2c1nc([nH]c2=O)N1CCC2(CC1)C(=O)N(CC(F)(F)F)c1cc(F)cc(F)c21

BDBM50511553

CN1CCCc2c1nc([nH]c2=O)N1CCC2(CC1)C(=O)N(CC#N)c1cc(F)cc(F)c21

BDBM50511545

CN1CCCc2c1nc([nH]c2=O)N1CCC2(CC1)C(=O)N(CC1COC1)c1cc(F)cc(F)c21

BDBM50511555

CN1CCCc2c1nc([nH]c2=O)N1CCC2(CC1)C(=O)N(CC(O)CO)c1cc(F)cc(F)c21

BDBM50511541

COCCOc1cc2N(C)C(=O)C3(CCN(CC3)c3nc4N(C)CCCc4c(=O)[nH]3)c2c(F)c1

BDBM50511556

CN1C(=O)C2(CCN(CC2)c2nc3N(C)CCCc3c(=O)[nH]2)c2c1cc(OCCN1CCCC1)cc2F

BDBM50511563

CN1C(=O)C2(CCN(CC2)c2nc3N(C)CCCc3c(=O)[nH]2)c2c1cc(OCCN1CCCCC1)cc2F

BDBM50511546

CN1C(=O)C2(CCN(CC2)c2nc3N(C)CCCc3c(=O)[nH]2)c2c1cc(OC1CCN(C)CC1)cc2F

BDBM50511564

CN1C(=O)C2(CCN(CC2)c2nc3N(C)CCCc3c(=O)[nH]2)c2c1cc(OCC(O)=O)cc2F

BDBM50511559

CN(C)c1cc2N(C)C(=O)C3(CCN(CC3)c3nc4N(C)CCCc4c(=O)[nH]3)c2c(F)c1

BDBM50511565

C[C@H]1CN(C[C@@H](C)N1)c1cc2N(C)C(=O)C3(CCN(CC3)c3nc4N(C)CCCc4c(=O)[nH]3)c2c(F)c1 |r|

BDBM50511548

C[C@@H]1CN(C[C@@H](O1)C)c2cc3c(c(c2)F)C4(CCN(CC4)C5=NC6=C(CCCN6C)C(=O)N5)C(=O)N3C

BDBM50511566

c1c(cc(c2c1N(CC23CCN(CC3)C4=NC5=C(CCCC5)C(=O)N4)CCO)F)F

BDBM50511544

CN1CCCc2c1nc([nH]c2=O)N1CCC2(CC1)C(=O)N(CCO)c1cc(F)cc(F)c21

BDBM50511547

CN1CCc2c1nc([nH]c2=O)N1CCC2(CC1)C(=O)N(CCO)c1cc(F)cc(F)c21

BDBM50511570

CN1CCCc2c1nc([nH]c2=O)N1CCC2(CC1)C(=O)N(CS(C)(=O)=O)c1cc(F)cc(F)c21

BDBM50511569

CN1C(=O)C2(CCN(CC2)c2nc3N(C)CCCc3c(=O)[nH]2)c2c1cc(OCCO)cc2F

BDBM50511558

CN1C(=O)C2(CCN(CC2)c2nc3N(C)CCCc3c(=O)[nH]2)c2c1cc(OCCN1CCN(C)CC1)cc2F

BDBM50511542

CN1C(=O)C2(CCN(CC2)c2nc3N(C)CCCc3c(=O)[nH]2)c2c1cc(cc2F)N1CCCCC1

BDBM50511554

CN1CCCc2c1nc([nH]c2=O)N1CCC2(CC1)C(=O)N(CC(O)=O)c1cc(F)cc(F)c21

BDBM50511557

CN1C(=O)C2(CCN(CC2)c2nc3N(C)CCCc3c(=O)[nH]2)c2c1cc(OCCN1CCOCC1)cc2F

BDBM50511560

CN1C(=O)C2(CCN(CC2)c2nc3N(C)CCCc3c(=O)[nH]2)c2c1cc(cc2F)N1CCN(C)CC1

BDBM50511567

Cn1ccc2c1nc([nH]c2=O)N1CCC2(CN(CCO)c3cc(F)cc(F)c23)CC1

BDBM50511568

COc1cc2N(C)C(=O)C3(CCN(CC3)c3nc4N(C)CCCc4c(=O)[nH]3)c2c(F)c1

BDBM50511561

CN1C(=O)C2(CCN(CC2)c2nc3N(C)CCCc3c(=O)[nH]2)c2c1cc(cc2F)N1CCOCC1

BDBM50522320

COc1ccccc1N2CCN(CC2)C3=NC4=C(CCCC4)C(=O)N3

BDBM50522321

COc1ccccc1N1CCN(CC1)c1nc2CCOCc2c(=O)[nH]1

BDBM50522324

COc1ccccc1N1CCN(CC1)c1nc2CC[S+]([O-])Cc2c(=O)[nH]1

BDBM50522325

O=c1[nH]c(nc2CCCCc12)N1CCC2(CNc3ccccc23)CC1

BDBM50522326

Clc1ccc2c(NCC22CCN(CC2)c2nc3CCCCc3c(=O)[nH]2)c1

BDBM50522323

O=C1Nc2cccc(C#N)c2C11CCN(CC1)c1nc2CCCCc2c(=O)[nH]1

BDBM50522330

OCCN1C(=O)C2(CCN(CC2)c2nc3CCCCc3c(=O)[nH]2)c2c1cc(Cl)cc2Cl

BDBM50522341

Oc1nc(nc2CCCCc12)N1CCN(CC1)c1ccccc1

BDBM50269244

COc1cccc(c1)N1CCN(CC1)c1nc2CCCCc2c(=O)[nH]1

BDBM50522342

COc1cccc(c1)N1CCN(CC1)c1nc2CCSCc2c(=O)[nH]1

BDBM50522343

COc1ccc(cc1)N1CCN(CC1)c1nc2CCSCc2c(=O)[nH]1

BDBM50522344

COc1ccc(cc1)N1CCN(CC1)c1nc2CCOCc2c(=O)[nH]1

BDBM50522345

COc1ccc(cc1)N1CCN(CC1)c1nc2CCC(F)(F)Cc2c(=O)[nH]1

BDBM50522346

COc1ccccc1N1CCN(CC1)c1nc2CCC(C)Cc2c(=O)[nH]1

BDBM50522334

COc1ccccc1N1CCN(CC1)C1=NC2CCCCCC2C(=O)N1 |t:16|

BDBM50522332

COc1ccccc1N1CCN(CC1)c1nc2CCNCc2c(=O)[nH]1

BDBM50522347

COc1ccccc1C1=CCN(CC1)c1nc2CCCCc2c(=O)[nH]1 |t:9|

BDBM50522348

COc1ccccc1C1CCN(CC1)c1nc2CCCCc2c(=O)[nH]1

BDBM50522349

c1ccc2c(c1)C3(CCN(CC3)C4=NC5=C(CCCC5)C(=O)N4)C(=O)O2

BDBM50522333

O=c1[nH]c(nc2CCCCc12)N1CCC2(CC1)OCc1ccccc21

BDBM50522327

O=C1OC2(CCN(CC2)c2nc3CCCCc3c(=O)[nH]2)c2ccccc12

BDBM50522350

O=C1NC2(CCN(CC2)c2nc3CCCCc3c(=O)[nH]2)c2ccccc12

BDBM50522351

Fc1cccc2NCC3(CCN(CC3)c3nc4CCCCc4c(=O)[nH]3)c12

BDBM50522352

Fc1ccc2c(NCC22CCN(CC2)c2nc3CCCCc3c(=O)[nH]2)c1

BDBM50522353

c1cc2c(c(c1)Cl)C3(CCN(CC3)C4=NC5=C(CCCC5)C(=O)N4)CN2

BDBM50522354

Brc1cccc2NCC3(CCN(CC3)c3nc4CCCCc4c(=O)[nH]3)c12

BDBM50522355

Fc1cccc2NC(=O)C3(CCN(CC3)c3nc4CCCCc4c(=O)[nH]3)c12

BDBM50522356

Fc1ccc2c(NC(=O)C22CCN(CC2)c2nc3CCCCc3c(=O)[nH]2)c1

BDBM50522357

Fc1cc2NC(=O)C3(CCN(CC3)c3nc4CCCCc4c(=O)[nH]3)c2c(F)c1

BDBM50522358

Brc1cccc2NC(=O)C3(CCN(CC3)c3nc4CCCCc4c(=O)[nH]3)c12

BDBM50522338

OCCN1CC2(CCN(CC2)c2nc3CCCCc3c(=O)[nH]2)c2ccccc12

BDBM50522319

OCCN1CC2(CCN(CC2)c2nc3CCCCc3c(=O)[nH]2)c2c1cccc2F

BDBM50522339

OCCN1CC2(CCN(CC2)c2nc3CCCCc3c(=O)[nH]2)c2c1cc(Cl)cc2Cl

BDBM50522328

OCCN1C(=O)C2(CCN(CC2)c2nc3CCCCc3c(=O)[nH]2)c2ccccc12

BDBM50522359

OCCN1C(=O)C2(CCN(CC2)c2nc3CCCCc3c(=O)[nH]2)c2c1cccc2Cl

BDBM50522322

Clc1cc2NCC3(CCN(CC3)c3nc4CCCCc4c(=O)[nH]3)c2c(Cl)c1

BDBM50522368

COc1ccccc1N1CCCN(CC1)c1nc2CCCCc2c(=O)[nH]1

BDBM50522329

COc1ccccc1N1CCN(CC1)c1nc2CCSCc2c(=O)[nH]1

BDBM50522331

COc1ccccc1N1CCN(CC1)c1nc2CCC(F)(F)Cc2c(=O)[nH]1

BDBM50522367

COc1ccccc1N1CCN(CC1)c1nc2CCC(C)(C)Cc2c(=O)[nH]1

BDBM50522362

COc1ccccc1N1CCC(CC1)c1nc2CCCCc2c(=O)[nH]1

BDBM50522363

O=c1[nH]c(nc2CCCCc12)N1CCC2(COc3ccccc23)CC1

BDBM50522360

O=C1Nc2ccccc2C11CCN(CC1)c1nc2CCCCc2c(=O)[nH]1

BDBM50522370

Fc1cc2NCC3(CCN(CC3)c3nc4CCCCc4c(=O)[nH]3)c2c(F)c1

BDBM50522365

O=c1[nH]c(nc2CCCCc12)N1CCC2(CNc3cccc(C#N)c23)CC1

BDBM50522337

Clc1cc2NC(=O)C3(CCN(CC3)c3nc4CCCCc4c(=O)[nH]3)c2c(Cl)c1

BDBM50522369

OCCN1CC2(CCN(CC2)c2nc3CCCCc3c(=O)[nH]2)c2c1cccc2Cl

BDBM50522340

OCCN1C(=O)C2(CCN(CC2)c2nc3CCCCc3c(=O)[nH]2)c2c1cccc2F

BDBM50522335

COc1ccc(cc1)N1CCN(CC1)c1nc2CCCCc2c(=O)[nH]1

BDBM50522361

COc1ccccc1N1CCN(CC1)c1nc2CCN(C)Cc2c(=O)[nH]1

BDBM50522364

O=c1[nH]c(nc2CCCCc12)N1CCC2(CC1)NCc1ccccc21

BDBM50522366

Clc1cccc2NC(=O)C3(CCN(CC3)c3nc4CCCCc4c(=O)[nH]3)c12

BDBM50522336

Clc1ccc2c(NC(=O)C22CCN(CC2)c2nc3CCCCc3c(=O)[nH]2)c1

BDBM50536937

CC(C)n1cc2CN(Cc2n1)C(=O)c1cc(Cc2n[nH]c(=O)c3ccccc23)ccc1F

BDBM50540757

c1ccc2c(c1)C(=O)NC(=N2)SCCN3CCN(CC3)c4ccccn4

BDBM50540758

O=c1[nH]c(SCCN2CCN(CCCOc3ccc(cc3)-c3ccccc3)CC2)nc2ccccc12

BDBM50540759

O=c1[nH]c(SCCN2CCN(CCCc3nc(no3)-c3ccccc3)CC2)nc2ccccc12

BDBM50540760

O=C(CN1CCN(CCSc2nc3ccccc3c(=O)[nH]2)CC1)N1CCC2(CC1)CC(=O)c1ccccc1O2

BDBM50540761

O=C(OCc1ccccc1)N1CCN(CCSc2nc3ccccc3c(=O)[nH]2)CC1

BDBM50540762

O=c1[nH]c(SCCN2CCN(CCSc3nc4ccccc4c(=O)[nH]3)CC2)nc2ccccc12

BDBM50541713

Cn1c2cc(ccc2n([C@H]2C[C@@H](C2)c2nnc(-c3ccncn3)n2-c2ccccc2Cl)c1=O)C#N |r,wU:9.9,wD:11.14,(75.94,-33.54,;74.47,-34.03,;74,-35.49,;74.76,-36.82,;74.01,-38.14,;72.46,-38.15,;71.69,-36.82,;72.46,-35.49,;71.97,-34.04,;70.5,-33.55,;69.13,-34.26,;68.43,-32.88,;69.81,-32.19,;66.97,-32.4,;66.49,-30.94,;64.95,-30.94,;64.47,-32.4,;63.01,-32.88,;62.69,-34.38,;61.23,-34.86,;60.07,-33.83,;60.4,-32.32,;61.87,-31.84,;65.72,-33.31,;65.72,-34.84,;64.38,-35.62,;64.38,-37.16,;65.72,-37.93,;67.06,-37.15,;67.05,-35.61,;68.39,-34.83,;73.22,-33.12,;73.22,-31.57,;74.78,-39.47,;75.56,-40.81,)|

BDBM50541714

Clc1ccccc1-n1c(nnc1-c1ccncn1)[C@H]1C[C@@H](C1)n1c2ccc(cc2oc1=O)C#N |r,wU:20.25,wD:18.20,(12.5,-48.86,;11.17,-49.64,;11.18,-51.18,;9.83,-51.96,;8.5,-51.19,;8.5,-49.65,;9.84,-48.87,;9.83,-47.33,;11.07,-46.43,;10.6,-44.96,;9.06,-44.96,;8.58,-46.43,;7.12,-46.9,;6.81,-48.41,;5.34,-48.89,;4.19,-47.86,;4.51,-46.35,;5.97,-45.87,;12.54,-46.91,;13.25,-48.29,;14.62,-47.58,;13.92,-46.21,;16.09,-48.06,;16.57,-49.52,;15.81,-50.85,;16.57,-52.18,;18.12,-52.17,;18.89,-50.85,;18.11,-49.52,;18.59,-48.05,;17.35,-47.14,;17.34,-45.6,;18.91,-53.5,;19.68,-54.84,)|

BDBM50541715

Clc1ccccc1-n1c(nnc1C12CC(C1)(C2)n1c2ccc(cc2[nH]c1=O)C#N)-c1ccncn1 |(37.98,-49.76,;36.64,-50.53,;36.66,-52.07,;35.31,-52.85,;33.97,-52.08,;33.97,-50.53,;35.31,-49.77,;35.31,-48.23,;34.06,-47.32,;34.54,-45.85,;36.08,-45.85,;36.55,-47.32,;38.02,-47.8,;38.73,-49.18,;40.1,-48.48,;39.4,-47.11,;38.91,-48.53,;41.56,-48.95,;42.05,-50.41,;41.28,-51.74,;42.05,-53.07,;43.59,-53.07,;44.36,-51.74,;43.59,-50.41,;44.07,-48.94,;42.82,-48.04,;42.82,-46.49,;44.38,-54.4,;45.15,-55.73,;32.6,-47.8,;32.28,-49.3,;30.82,-49.78,;29.67,-48.75,;29.99,-47.24,;31.45,-46.76,)|

BDBM50541718

CCOc1ccc(nc1)-c1nnc([C@H]2C[C@@H](C2)n2c3ccc(cc3[nH]c2=O)C#N)n1-c1ccccc1Cl |r,wU:15.18,wD:13.13,(29.39,-5.09,;30.85,-4.61,;31.99,-5.63,;33.45,-5.15,;34.61,-6.18,;36.07,-5.7,;36.38,-4.2,;35.24,-3.16,;33.77,-3.64,;37.84,-3.72,;38.32,-2.26,;39.86,-2.26,;40.34,-3.72,;41.8,-4.2,;42.51,-5.58,;43.88,-4.87,;43.18,-3.51,;45.35,-5.36,;45.83,-6.81,;45.07,-8.14,;45.83,-9.47,;47.38,-9.47,;48.15,-8.14,;47.37,-6.82,;47.85,-5.35,;46.61,-4.44,;46.6,-2.89,;48.17,-10.8,;48.94,-12.13,;39.09,-4.63,;39.1,-6.17,;37.76,-6.94,;37.76,-8.48,;39.1,-9.25,;40.44,-8.47,;40.43,-6.94,;41.76,-6.16,)|

BDBM50541719

Fc1ccccc1-n1c(nnc1-c1ccncn1)[C@H]1C[C@@H](C1)n1c2ccc(cc2[nH]c1=O)C#N |r,wU:20.25,wD:18.20,(68.41,-6.37,;67.08,-7.14,;67.09,-8.68,;65.75,-9.45,;64.41,-8.68,;64.41,-7.14,;65.75,-6.37,;65.75,-4.83,;66.99,-3.93,;66.51,-2.46,;64.97,-2.46,;64.5,-3.93,;63.03,-4.4,;62.72,-5.9,;61.26,-6.38,;60.1,-5.35,;60.42,-3.84,;61.89,-3.36,;68.46,-4.4,;69.16,-5.78,;70.53,-5.08,;69.83,-3.71,;72,-5.56,;72.48,-7.01,;71.72,-8.35,;72.49,-9.67,;74.03,-9.67,;74.8,-8.34,;74.02,-7.02,;74.5,-5.55,;73.26,-4.64,;73.25,-3.1,;74.82,-11,;75.59,-12.33,)|

BDBM50544640

CCN(C(=O)N1CCC(CC1)C(=O)c1ccc2cc(C(O)=O)n(C)c2c1)c1ccc(OC)cc1

BDBM50544641

CCN(C(=O)N1CCC(CC1)C(=O)c1ccc2n(C)c(cc2c1)C(O)=O)c1ccc(OC)cc1

BDBM50544642

CCN(C(=O)N1CCC(CC1)C(=O)c1ccc2c(nn(C)c2c1)C(O)=O)c1ccc(OC)cc1

BDBM50544643

CCN(C(=O)N1CCC(CC1)C(=O)c1ccc2cnn(C)c2c1)c1ccc(cc1)C(O)=O

BDBM50544644

CCN(C(=O)N1CCC(CC1)C(=O)c1ccc2n(C)ncc2c1)c1ccc(cc1)C(O)=O

BDBM50544645

CCN(C(=O)N1CCC(CC1)C(=O)c1ccc2ncn(C)c2c1)c1ccc(cc1)C(O)=O

BDBM50548685

O=c1[nH]c(cc2ncccc12)C1=C[C@@H](CC1)N1CCN(CC1)c1ccc(cc1)C#N |r,t:13|

BDBM36414

[H][C@]1(Cn2c(=O)n(Cc3ccccc3C#N)c3ccccc3c2=O)CC[C@@]([H])(CC1)C(=O)NCc1ccccc1 |r,wU:1.1,26.29,wD:1.0,26.33,(-1.18,-1.6,;0,-2.59,;-1.54,-2.59,;-2.31,-1.26,;-3.85,-1.26,;-4.61,-2.59,;-4.62,.07,;-6.15,.07,;-6.92,1.4,;-6.15,2.74,;-6.92,4.07,;-8.46,4.07,;-9.23,2.74,;-8.46,1.4,;-9.23,.07,;-10,-1.26,;-3.85,1.41,;-4.62,2.74,;-3.85,4.08,;-2.31,4.08,;-1.54,2.74,;-2.31,1.41,;-1.54,.07,;,.07,;.77,-1.25,;2.31,-1.25,;3.08,-2.59,;3.94,-3.87,;2.31,-3.92,;.77,-3.92,;4.62,-2.59,;5.38,-1.26,;5.38,-3.92,;6.92,-3.92,;7.69,-2.59,;6.92,-1.25,;7.69,.08,;9.23,.08,;10,-1.25,;9.23,-2.59,)|

BDBM50557879

O=C(Nc1ccncc1)[C@H]1CC[C@H](Cn2c(=O)n(Cc3ccccc3C#N)c3ccccc3c2=O)CC1 |r,wU:9.9,wD:12.13,(37.04,-7.34,;37.04,-5.8,;38.38,-5.03,;39.71,-5.81,;39.71,-7.34,;41.04,-8.11,;42.37,-7.35,;42.37,-5.8,;41.04,-5.03,;35.71,-5.03,;34.38,-5.8,;33.05,-5.03,;33.05,-3.49,;31.72,-2.72,;30.38,-3.5,;30.39,-5.05,;31.73,-5.82,;29.05,-5.83,;29.05,-7.37,;27.72,-8.14,;26.39,-7.37,;25.05,-8.15,;25.06,-9.69,;26.4,-10.45,;27.73,-9.68,;29.07,-10.44,;30.41,-11.2,;27.7,-5.06,;26.37,-5.83,;25.03,-5.06,;25.03,-3.52,;26.36,-2.74,;27.7,-3.51,;29.03,-2.72,;29.03,-1.17,;34.37,-2.72,;35.71,-3.49,)|

BDBM50557880

FC(F)(F)c1cccc(Cn2c3ccccc3c(=O)n(C[C@H]3CC[C@@H](CC3)C(=O)Nc3ccncc3)c2=O)c1C#N |r,wU:24.28,wD:21.21,(48.5,-12.23,;49.91,-11.53,;51.49,-11.66,;49.75,-12.97,;49.9,-9.99,;48.55,-9.22,;48.55,-7.68,;49.88,-6.91,;51.21,-7.68,;52.54,-6.9,;52.54,-5.36,;51.2,-4.6,;49.86,-5.36,;48.52,-4.59,;48.53,-3.05,;49.86,-2.28,;51.19,-3.04,;52.53,-2.25,;52.52,-.71,;53.88,-3.03,;55.21,-2.26,;56.55,-3.02,;56.54,-4.57,;57.87,-5.33,;59.2,-4.57,;59.2,-3.02,;57.87,-2.25,;60.54,-5.34,;60.54,-6.88,;61.87,-4.57,;63.21,-5.34,;63.2,-6.88,;64.53,-7.65,;65.87,-6.88,;65.86,-5.33,;64.53,-4.57,;53.88,-4.59,;55.22,-5.35,;51.22,-9.21,;52.57,-9.97,;53.91,-10.73,)|

BDBM50557881

Fc1cccc2n(Cc3cccc(c3C#N)C(F)(F)F)c(=O)n(C[C@H]3CC[C@@H](CC3)C(=O)Nc3ccncc3)c(=O)c12 |r,wU:27.31,wD:24.24,(3.85,-14.07,;3.85,-15.61,;2.52,-16.38,;2.52,-17.92,;3.85,-18.69,;5.19,-17.93,;6.53,-18.7,;6.53,-20.24,;5.2,-21.01,;3.87,-20.24,;2.54,-21.01,;2.54,-22.55,;3.89,-23.32,;5.21,-22.54,;6.56,-23.3,;7.9,-24.07,;3.9,-24.86,;2.49,-25.56,;5.48,-24.99,;3.74,-26.3,;7.87,-17.92,;9.21,-18.69,;7.87,-16.36,;9.2,-15.59,;10.54,-16.35,;10.53,-17.9,;11.86,-18.66,;13.2,-17.9,;13.19,-16.35,;11.86,-15.58,;14.53,-18.67,;14.53,-20.21,;15.86,-17.9,;17.2,-18.67,;17.19,-20.21,;18.52,-20.98,;19.86,-20.21,;19.85,-18.66,;18.52,-17.9,;6.52,-15.59,;6.51,-14.04,;5.18,-16.37,)|

BDBM50557882

FC(F)(F)c1cccc(Cn2c3cccc(Cl)c3c(=O)n(C[C@H]3CC[C@@H](CC3)C(=O)Nc3ccncc3)c2=O)c1C#N |r,wU:25.29,wD:22.22,(24.7,-26.2,;26.11,-25.5,;27.7,-25.64,;25.95,-26.95,;26.1,-23.96,;24.75,-23.2,;24.75,-21.66,;26.08,-20.88,;27.41,-21.65,;28.75,-20.88,;28.74,-19.34,;27.4,-18.57,;26.06,-19.34,;24.73,-18.57,;24.73,-17.02,;26.06,-16.25,;26.06,-14.72,;27.39,-17.02,;28.73,-16.23,;28.72,-14.68,;30.08,-17.01,;31.41,-16.23,;32.75,-17,;32.74,-18.54,;34.07,-19.31,;35.41,-18.54,;35.41,-17,;34.07,-16.23,;36.74,-19.31,;36.74,-20.85,;38.07,-18.54,;39.41,-19.31,;39.4,-20.85,;40.73,-21.62,;42.07,-20.85,;42.07,-19.31,;40.73,-18.54,;30.09,-18.56,;31.42,-19.33,;27.42,-23.19,;28.77,-23.95,;30.11,-24.71,)|

BDBM50557883

COc1cccc2n(Cc3cccc(c3C#N)C(F)(F)F)c(=O)n(C[C@H]3CC[C@@H](CC3)C(=O)Nc3ccncc3)c(=O)c12 |r,wU:28.32,wD:25.25,(50.15,-14.41,;51.48,-15.19,;51.48,-16.72,;50.15,-17.49,;50.15,-19.04,;51.49,-19.81,;52.83,-19.04,;54.17,-19.81,;54.17,-21.35,;52.84,-22.12,;51.51,-21.35,;50.18,-22.12,;50.18,-23.66,;51.52,-24.43,;52.85,-23.65,;54.19,-24.42,;55.53,-25.18,;51.54,-25.97,;50.13,-26.67,;53.12,-26.1,;51.37,-27.42,;55.51,-19.03,;56.85,-19.8,;55.51,-17.47,;56.84,-16.7,;58.17,-17.47,;58.17,-19.01,;59.5,-19.78,;60.83,-19.01,;60.83,-17.47,;59.49,-16.69,;62.17,-19.78,;62.17,-21.32,;63.5,-19.01,;64.83,-19.78,;64.83,-21.32,;66.16,-22.09,;67.49,-21.32,;67.49,-19.77,;66.16,-19.01,;54.15,-16.7,;54.15,-15.15,;52.82,-17.48,)|

BDBM50557884

Cc1cccc2n(Cc3cccc(c3C#N)C(F)(F)F)c(=O)n(C[C@H]3CC[C@@H](CC3)C(=O)Nc3ccncc3)c(=O)c12 |r,wU:27.31,wD:24.24,(4.19,-28.22,;4.2,-29.76,;2.87,-30.54,;2.87,-32.08,;4.2,-32.85,;5.54,-32.08,;6.88,-32.85,;6.88,-34.39,;5.55,-35.16,;4.22,-34.39,;2.89,-35.17,;2.89,-36.71,;4.24,-37.47,;5.56,-36.7,;6.91,-37.46,;8.25,-38.22,;4.25,-39.01,;2.84,-39.71,;5.83,-39.15,;4.09,-40.46,;8.22,-32.07,;9.56,-32.84,;8.22,-30.52,;9.55,-29.74,;10.89,-30.51,;10.88,-32.05,;12.21,-32.82,;13.55,-32.05,;13.54,-30.51,;12.21,-29.74,;14.88,-32.82,;14.88,-34.36,;16.21,-32.05,;17.55,-32.82,;17.54,-34.36,;18.87,-35.13,;20.21,-34.37,;20.2,-32.82,;18.87,-32.05,;6.87,-29.74,;6.86,-28.19,;5.53,-30.53,)|

BDBM50557885

Cc1c(F)ccc2n(Cc3cccc(c3C#N)C(F)(F)F)c(=O)n(C[C@H]3CC[C@@H](CC3)C(=O)Nc3ccncc3)c(=O)c12 |r,wU:28.32,wD:25.25,(27.49,-28.12,;27.49,-29.66,;26.16,-30.43,;24.83,-29.65,;26.16,-31.97,;27.49,-32.74,;28.83,-31.97,;30.17,-32.74,;30.18,-34.28,;28.85,-35.06,;27.51,-34.28,;26.18,-35.06,;26.19,-36.6,;27.53,-37.36,;28.86,-36.59,;30.2,-37.35,;31.54,-38.11,;27.54,-38.9,;26.13,-39.6,;29.13,-39.04,;27.38,-40.35,;31.52,-31.96,;32.85,-32.73,;31.51,-30.41,;32.84,-29.63,;34.18,-30.4,;34.18,-31.94,;35.5,-32.71,;36.84,-31.94,;36.84,-30.4,;35.5,-29.63,;38.17,-32.71,;38.17,-34.25,;39.51,-31.94,;40.84,-32.72,;40.83,-34.25,;42.17,-35.03,;43.5,-34.26,;43.5,-32.71,;42.16,-31.94,;30.16,-29.63,;30.16,-28.09,;28.83,-30.42,)|

BDBM50557886

Cc1ccc2n(Cc3cccc(c3C#N)C(F)(F)F)c(=O)n(C[C@H]3CC[C@@H](CC3)C(=O)Nc3ccncc3)c(=O)c2c1C |r,wU:26.30,wD:23.23,(48.53,-30.7,;49.87,-31.47,;49.87,-33.01,;51.2,-33.78,;52.54,-33.02,;53.88,-33.78,;53.88,-35.32,;52.55,-36.1,;51.22,-35.33,;49.89,-36.1,;49.89,-37.64,;51.24,-38.41,;52.56,-37.63,;53.91,-38.39,;55.25,-39.16,;51.25,-39.95,;49.84,-40.65,;52.83,-40.08,;51.09,-41.39,;55.23,-33.01,;56.56,-33.77,;55.22,-31.45,;56.55,-30.68,;57.89,-31.44,;57.88,-32.99,;59.21,-33.75,;60.55,-32.99,;60.54,-31.44,;59.21,-30.67,;61.88,-33.76,;61.88,-35.3,;63.21,-32.99,;64.55,-33.76,;64.54,-35.3,;65.87,-36.07,;67.21,-35.3,;67.2,-33.75,;65.87,-32.99,;53.87,-30.67,;53.86,-29.13,;52.53,-31.46,;51.2,-30.7,;51.19,-29.16,)|

BDBM50557887

Cc1c(ccc2n(Cc3cccc(c3C#N)C(F)(F)F)c(=O)n(C[C@H]3CC[C@@H](CC3)C(=O)Nc3ccncc3)c(=O)c12)C(N)=O |r,wU:27.31,wD:24.24,(6.24,-43.47,;6.25,-45.01,;4.92,-45.78,;4.92,-47.32,;6.25,-48.09,;7.59,-47.33,;8.93,-48.1,;8.94,-49.64,;7.61,-50.41,;6.27,-49.64,;4.94,-50.41,;4.95,-51.95,;6.29,-52.72,;7.62,-51.94,;8.96,-52.7,;10.3,-53.47,;6.3,-54.26,;4.89,-54.96,;7.89,-54.39,;6.14,-55.7,;10.28,-47.32,;11.61,-48.09,;10.27,-45.76,;11.6,-44.99,;12.94,-45.75,;12.93,-47.3,;14.26,-48.06,;15.6,-47.3,;15.6,-45.75,;14.26,-44.98,;16.93,-48.07,;16.93,-49.61,;18.27,-47.3,;19.6,-48.07,;19.59,-49.61,;20.93,-50.38,;22.26,-49.61,;22.26,-48.06,;20.92,-47.3,;8.92,-44.99,;8.92,-43.44,;7.58,-45.77,;3.59,-45.01,;3.59,-43.47,;2.25,-45.78,)|

BDBM50557888

Cc1cccc2n(Cc3ccccc3C#N)c(=O)n(C[C@H]3CC[C@@H](CC3)C(=O)Nc3ccncc3)c(=O)c12 |r,wU:23.27,wD:20.20,(28.1,-43.61,;28.1,-45.15,;26.78,-45.92,;26.77,-47.46,;28.11,-48.23,;29.45,-47.47,;30.79,-48.23,;30.79,-49.77,;29.46,-50.55,;28.13,-49.78,;26.8,-50.55,;26.8,-52.09,;28.15,-52.86,;29.47,-52.08,;30.82,-52.84,;32.15,-53.61,;32.13,-47.46,;33.47,-48.22,;32.13,-45.9,;33.46,-45.13,;34.79,-45.89,;34.79,-47.44,;36.12,-48.2,;37.45,-47.44,;37.45,-45.89,;36.12,-45.12,;38.79,-48.21,;38.79,-49.75,;40.12,-47.44,;41.45,-48.21,;41.45,-49.75,;42.78,-50.52,;44.12,-49.75,;44.11,-48.2,;42.78,-47.44,;30.78,-45.12,;30.77,-43.58,;29.44,-45.91,)|

BDBM50557889

O=C(Nc1ccncc1)[C@H]1CC[C@H](Cn2c(=O)n(Cc3ccccc3C#N)c3cnccc3c2=O)CC1 |r,wU:9.9,wD:12.13,(62.29,-50.17,;62.29,-48.63,;63.62,-47.86,;64.96,-48.64,;64.95,-50.17,;66.28,-50.95,;67.62,-50.18,;67.62,-48.63,;66.28,-47.86,;60.96,-47.86,;59.62,-48.63,;58.29,-47.87,;58.3,-46.32,;56.96,-45.55,;55.63,-46.33,;55.64,-47.88,;56.97,-48.65,;54.29,-48.66,;54.3,-50.2,;52.96,-50.98,;51.63,-50.21,;50.3,-50.98,;50.3,-52.52,;51.65,-53.29,;52.97,-52.51,;54.32,-53.27,;55.66,-54.03,;52.95,-47.89,;51.61,-48.66,;50.28,-47.89,;50.28,-46.35,;51.61,-45.58,;52.94,-46.34,;54.28,-45.55,;54.27,-44.01,;59.62,-45.55,;60.96,-46.32,)|

BDBM50557890

O=C(Nc1ccncc1)[C@H]1CC[C@H](Cn2c(=O)n(Cc3ccccc3C#N)c3cccnc3c2=O)CC1 |r,wU:9.9,wD:12.13,(14.67,-7.68,;14.67,-6.14,;16,-5.37,;17.33,-6.14,;17.33,-7.68,;18.66,-8.45,;20,-7.68,;19.99,-6.13,;18.66,-5.37,;13.33,-5.37,;12,-6.13,;10.67,-5.37,;10.68,-3.82,;9.34,-3.06,;8.01,-3.83,;8.01,-5.39,;9.35,-6.16,;6.67,-6.17,;6.67,-7.71,;5.34,-8.48,;4.01,-7.71,;2.68,-8.48,;2.68,-10.02,;4.03,-10.79,;5.35,-10.01,;6.7,-10.77,;8.04,-11.54,;5.33,-5.4,;3.99,-6.16,;2.66,-5.39,;2.66,-3.85,;3.99,-3.08,;5.32,-3.84,;6.66,-3.06,;6.65,-1.51,;12,-3.05,;13.33,-3.82,)|

BDBM50557891

O=C(Nc1ccncc1)[C@H]1CC[C@H](Cn2c(=O)n(Cc3ccccc3C#N)c3[nH]cnc3c2=O)CC1 |r,wU:9.9,wD:12.13,(37.39,-7.41,;37.39,-5.87,;38.72,-5.1,;40.05,-5.87,;40.05,-7.41,;41.38,-8.18,;42.71,-7.42,;42.71,-5.87,;41.38,-5.1,;36.05,-5.1,;34.72,-5.87,;33.39,-5.1,;33.39,-3.56,;32.06,-2.79,;30.73,-3.57,;30.73,-5.12,;32.07,-5.89,;29.39,-5.9,;29.39,-7.44,;28.06,-8.21,;26.73,-7.44,;25.4,-8.22,;25.4,-9.76,;26.74,-10.52,;28.07,-9.75,;29.41,-10.51,;30.75,-11.27,;28.05,-5.13,;26.57,-5.61,;25.66,-4.35,;26.57,-3.1,;28.05,-3.58,;29.37,-2.79,;29.37,-1.24,;34.72,-2.79,;36.05,-3.56,)|

BDBM50557892

Cc1cccc2n(Cc3cccc(c3C#N)C(F)(F)F)c(=O)n(C[C@H]3CC[C@@H](CC3)C(=O)Nc3ccnnc3)c(=O)c12 |r,wU:27.31,wD:24.24,(49.57,-1.24,;49.58,-2.78,;48.25,-3.55,;48.25,-5.1,;49.58,-5.87,;50.92,-5.1,;52.26,-5.87,;52.27,-7.41,;50.93,-8.18,;49.6,-7.41,;48.27,-8.19,;48.27,-9.73,;49.62,-10.49,;50.94,-9.72,;52.29,-10.48,;53.63,-11.24,;49.63,-12.03,;48.22,-12.73,;51.22,-12.17,;49.47,-13.48,;53.61,-5.09,;54.94,-5.86,;53.6,-3.54,;54.93,-2.76,;56.27,-3.53,;56.26,-5.07,;57.59,-5.84,;58.93,-5.07,;58.93,-3.53,;57.59,-2.76,;60.26,-5.84,;60.26,-7.38,;61.59,-5.07,;62.93,-5.84,;64.25,-5.07,;65.59,-5.84,;65.59,-7.38,;64.25,-8.15,;62.92,-7.38,;52.25,-2.76,;52.24,-1.21,;50.91,-3.55,)|

BDBM50557893

Cc1ccc(NC(=O)[C@H]2CC[C@H](Cn3c(=O)n(Cc4cccc(c4C#N)C(F)(F)F)c4cccc(C)c4c3=O)CC2)cn1 |r,wU:8.7,wD:11.11,(22.02,-20.64,;20.69,-19.87,;20.69,-18.32,;19.35,-17.56,;18.03,-18.33,;16.7,-17.56,;15.36,-18.32,;15.36,-19.86,;14.03,-17.55,;12.69,-18.32,;11.36,-17.56,;11.37,-16.01,;10.03,-15.25,;8.7,-16.02,;8.71,-17.57,;10.04,-18.34,;7.36,-18.35,;7.37,-19.89,;6.03,-20.67,;4.7,-19.9,;3.37,-20.67,;3.37,-22.21,;4.72,-22.98,;6.04,-22.2,;7.39,-22.96,;8.73,-23.72,;4.73,-24.52,;3.32,-25.22,;6.32,-24.65,;4.57,-25.96,;6.02,-17.59,;4.68,-18.35,;3.35,-17.58,;3.35,-16.04,;4.68,-15.27,;4.67,-13.73,;6.01,-16.03,;7.35,-15.24,;7.34,-13.7,;12.69,-15.24,;14.03,-16.01,;18.02,-19.87,;19.35,-20.64,)|

BDBM50557894

Cc1cccc2n(Cc3cccc(c3C#N)C(F)(F)F)c(=O)n(C[C@H]3CC[C@@H](CC3)C(=O)Nc3cnn(C)c3)c(=O)c12 |r,wU:27.31,wD:24.24,(27.54,-13.77,;27.54,-15.31,;26.21,-16.08,;26.21,-17.63,;27.54,-18.4,;28.88,-17.63,;30.23,-18.4,;30.23,-19.94,;28.9,-20.71,;27.56,-19.94,;26.23,-20.71,;26.24,-22.25,;27.58,-23.02,;28.91,-22.24,;30.25,-23.01,;31.59,-23.77,;27.59,-24.56,;26.18,-25.26,;29.18,-24.69,;27.43,-26.01,;31.57,-17.62,;32.91,-18.39,;31.56,-16.06,;32.89,-15.29,;34.23,-16.06,;34.23,-17.6,;35.55,-18.37,;36.89,-17.6,;36.89,-16.06,;35.55,-15.28,;38.22,-18.37,;38.22,-19.91,;39.56,-17.6,;40.89,-18.37,;42.3,-17.74,;43.33,-18.88,;42.56,-20.22,;43.18,-21.62,;41.05,-19.89,;30.21,-15.29,;30.21,-13.74,;28.88,-16.08,)|

BDBM50557895

Cc1cccc(Cn2c3cccc(C)c3c(=O)n(C[C@H]3CC[C@@H](CC3)C(=O)Nc3ccncc3)c2=O)c1C#N |r,wU:22.26,wD:19.19,(51.99,-26.08,;51.98,-24.54,;50.63,-23.77,;50.63,-22.23,;51.96,-21.46,;53.29,-22.23,;54.62,-21.46,;54.62,-19.92,;53.28,-19.15,;51.94,-19.92,;50.6,-19.14,;50.61,-17.6,;51.93,-16.83,;51.93,-15.29,;53.27,-17.59,;54.61,-16.81,;54.6,-15.26,;55.96,-17.58,;57.29,-16.81,;58.62,-17.57,;58.62,-19.12,;59.95,-19.89,;61.28,-19.12,;61.28,-17.58,;59.95,-16.8,;62.62,-19.89,;62.62,-21.43,;63.95,-19.12,;65.28,-19.89,;65.28,-21.43,;66.61,-22.2,;67.95,-21.43,;67.94,-19.88,;66.61,-19.12,;55.96,-19.14,;57.3,-19.91,;53.3,-23.76,;54.65,-24.53,;55.98,-25.29,)|

BDBM50557896

Cc1cccc2n(Cc3cccc(Cl)c3C#N)c(=O)n(C[C@H]3CC[C@@H](CC3)C(=O)Nc3ccncc3)c(=O)c12 |r,wU:24.28,wD:21.21,(2.22,-29.02,;2.22,-30.56,;.89,-31.33,;.89,-32.87,;2.22,-33.64,;3.56,-32.88,;4.9,-33.64,;4.91,-35.18,;3.58,-35.96,;2.24,-35.19,;.91,-35.96,;.92,-37.5,;2.26,-38.27,;2.27,-39.81,;3.59,-37.49,;4.93,-38.25,;6.27,-39.01,;6.25,-32.87,;7.58,-33.63,;6.24,-31.31,;7.57,-30.54,;8.91,-31.3,;8.91,-32.85,;10.23,-33.61,;11.57,-32.84,;11.57,-31.3,;10.23,-30.53,;12.9,-33.62,;12.9,-35.16,;14.24,-32.85,;15.57,-33.62,;15.56,-35.16,;16.9,-35.93,;18.23,-35.16,;18.23,-33.61,;16.9,-32.85,;4.89,-30.53,;4.89,-28.99,;3.56,-31.32,)|

BDBM50557897

Cc1cccc2n(Cc3cccc(c3C#N)C(F)(F)F)c(=O)n(C[C@H]3CC[C@@H](CC3)C(O)=O)c(=O)c12 |r,wU:27.31,wD:24.24,(38.6,-28.72,;38.6,-30.26,;37.27,-31.03,;37.27,-32.58,;38.61,-33.35,;39.94,-32.58,;41.29,-33.35,;41.29,-34.89,;39.96,-35.66,;38.63,-34.89,;37.3,-35.66,;37.3,-37.2,;38.64,-37.97,;39.97,-37.19,;41.31,-37.96,;42.65,-38.72,;38.65,-39.51,;37.25,-40.21,;40.24,-39.64,;38.49,-40.96,;42.63,-32.57,;43.97,-33.34,;42.62,-31.01,;43.96,-30.24,;45.29,-31.01,;45.29,-32.55,;46.62,-33.32,;47.95,-32.55,;47.95,-31.01,;46.61,-30.23,;49.28,-33.32,;50.62,-32.55,;49.28,-34.86,;41.27,-30.24,;41.27,-28.69,;39.94,-31.02,)|

BDBM50557898

COc1cccc2n(Cc3cccc(c3C#N)C(F)(F)F)c(=O)n(C[C@H]3CC[C@@H](CC3)C(O)=O)c(=O)c12 |r,wU:28.32,wD:25.25,(55.37,-28.24,;56.7,-29.01,;56.71,-30.55,;55.38,-31.32,;55.38,-32.86,;56.71,-33.63,;58.05,-32.87,;59.39,-33.63,;59.4,-35.17,;58.07,-35.95,;56.73,-35.18,;55.4,-35.95,;55.41,-37.49,;56.75,-38.26,;58.07,-37.48,;59.42,-38.24,;60.76,-39,;56.76,-39.79,;55.35,-40.49,;58.35,-39.93,;56.6,-41.24,;60.74,-32.86,;62.07,-33.62,;60.73,-31.3,;62.06,-30.53,;63.4,-31.29,;63.39,-32.84,;64.72,-33.6,;66.06,-32.84,;66.05,-31.29,;64.72,-30.52,;67.39,-33.61,;68.72,-32.84,;67.39,-35.15,;59.38,-30.52,;59.37,-28.98,;58.04,-31.31,)|

BDBM50557899

OC(=O)[C@H]1CC[C@H](Cn2c(=O)n(Cc3cccc(c3C#N)C(F)(F)F)c3cccc(F)c3c2=O)CC1 |r,wU:3.2,wD:6.6,(16.02,-47.52,;14.69,-48.29,;14.69,-49.83,;13.35,-47.52,;12.02,-48.29,;10.69,-47.52,;10.7,-45.98,;9.36,-45.21,;8.03,-45.99,;8.04,-47.54,;9.37,-48.31,;6.69,-48.32,;6.7,-49.86,;5.36,-50.63,;4.03,-49.86,;2.7,-50.63,;2.7,-52.17,;4.05,-52.94,;5.37,-52.16,;6.72,-52.93,;8.06,-53.69,;4.06,-54.48,;2.65,-55.18,;5.64,-54.61,;3.9,-55.93,;5.35,-47.55,;4.01,-48.32,;2.68,-47.55,;2.68,-46,;4.01,-45.23,;4.01,-43.7,;5.34,-46,;6.68,-45.21,;6.67,-43.66,;12.02,-45.21,;13.35,-45.98,)|

BDBM50557900

OC(=O)[C@H]1CC[C@H](Cn2c(=O)n(Cc3cccc(c3C#N)C(F)(F)F)c3cccc(Cl)c3c2=O)CC1 |r,wU:3.2,wD:6.6,(31.87,-47.93,;30.54,-48.7,;30.54,-50.24,;29.21,-47.93,;27.87,-48.7,;26.54,-47.93,;26.55,-46.39,;25.21,-45.62,;23.88,-46.4,;23.89,-47.95,;25.22,-48.72,;22.54,-48.73,;22.55,-50.27,;21.22,-51.04,;19.88,-50.27,;18.55,-51.05,;18.56,-52.59,;19.9,-53.35,;21.23,-52.58,;22.57,-53.34,;23.91,-54.1,;19.91,-54.89,;18.5,-55.59,;21.5,-55.03,;19.75,-56.34,;21.2,-47.96,;19.86,-48.73,;18.53,-47.96,;18.53,-46.42,;19.86,-45.65,;19.86,-44.11,;21.2,-46.41,;22.53,-45.62,;22.53,-44.08,;27.87,-45.62,;29.21,-46.39,)|

BDBM50557901

Cc1ccc2n(Cc3cccc(c3C#N)C(F)(F)F)c(=O)n(C[C@H]3CC[C@@H](CC3)C(O)=O)c(=O)c2c1C |r,wU:26.30,wD:23.23,(51.3,-45.79,;52.63,-46.56,;52.63,-48.1,;53.96,-48.87,;55.3,-48.11,;56.64,-48.88,;56.65,-50.41,;55.32,-51.19,;53.98,-50.42,;52.65,-51.19,;52.66,-52.73,;54,-53.5,;55.33,-52.72,;56.67,-53.48,;58.01,-54.25,;54.01,-55.04,;52.6,-55.74,;55.6,-55.17,;53.85,-56.48,;57.99,-48.1,;59.32,-48.86,;57.98,-46.54,;59.31,-45.77,;60.65,-46.53,;60.64,-48.08,;61.97,-48.84,;63.31,-48.08,;63.31,-46.53,;61.97,-45.76,;64.64,-48.85,;65.97,-48.08,;64.64,-50.39,;56.63,-45.77,;56.62,-44.22,;55.29,-46.55,;53.96,-45.79,;53.95,-44.25,)|

BDBM50579976

CCOc1ccc(nc1)-c1nnc([C@H]2C[C@@H](C2)NC(=O)c2cccc3ncc(C)nc23)n1-c1ccccc1F |r,wU:15.18,wD:13.13,(35.69,-57.87,;36.59,-56.64,;38.1,-56.8,;39,-55.57,;40.52,-55.72,;41.41,-54.49,;40.8,-53.1,;39.28,-52.94,;38.38,-54.17,;41.69,-51.88,;41.22,-50.41,;42.46,-49.49,;43.72,-50.41,;45.19,-49.92,;46.56,-50.63,;47.27,-49.25,;45.89,-48.55,;48.74,-48.78,;49.07,-47.26,;47.92,-46.23,;50.54,-46.78,;50.85,-45.27,;52.32,-44.78,;53.48,-45.82,;53.16,-47.34,;54.3,-48.36,;53.98,-49.87,;52.51,-50.35,;52.19,-51.84,;51.37,-49.32,;51.69,-47.81,;43.24,-51.88,;44.14,-53.11,;43.51,-54.5,;44.41,-55.73,;45.92,-55.57,;46.54,-54.17,;45.64,-52.94,;46.26,-51.55,)|

BDBM50579977

CCOc1ccc(nc1)-c1nnc([C@H]2C[C@@H](C2)NC(=O)c2cccc3nc(C)cnc23)n1-c1ccccc1F |r,wU:15.18,wD:13.13,(54.68,-58.1,;55.58,-56.87,;57.09,-57.03,;57.99,-55.79,;59.51,-55.95,;60.4,-54.72,;59.78,-53.33,;58.27,-53.17,;57.37,-54.4,;60.68,-52.1,;60.21,-50.63,;61.45,-49.72,;62.71,-50.63,;64.18,-50.15,;65.55,-50.85,;66.26,-49.48,;64.88,-48.77,;67.73,-49.01,;68.06,-47.49,;66.91,-46.45,;69.53,-47.01,;69.84,-45.49,;71.31,-45.01,;72.47,-46.05,;72.15,-47.56,;73.29,-48.59,;72.97,-50.1,;74.11,-51.11,;71.5,-50.58,;70.36,-49.55,;70.68,-48.04,;62.23,-52.1,;63.13,-53.34,;62.5,-54.73,;63.39,-55.96,;64.91,-55.8,;65.53,-54.4,;64.63,-53.17,;65.24,-51.78,)|

BDBM50579978

CCOc1ccc(nc1)-c1nnc([C@H]2C[C@@H](C2)NC(=O)c2cccc3nc(C)c(C)nc23)n1-c1ccccc1F |r,wU:15.18,wD:13.13,(1.77,-14.42,;2.68,-13.18,;4.2,-13.34,;5.1,-12.1,;6.62,-12.26,;7.52,-11.02,;6.9,-9.63,;5.38,-9.47,;4.48,-10.7,;7.8,-8.4,;7.33,-6.92,;8.57,-6,;9.83,-6.92,;11.31,-6.43,;12.68,-7.15,;13.4,-5.77,;12.01,-5.06,;14.88,-5.29,;15.21,-3.77,;14.04,-2.73,;16.68,-3.28,;16.99,-1.76,;18.46,-1.28,;19.63,-2.32,;19.31,-3.84,;20.45,-4.87,;20.13,-6.38,;21.28,-7.4,;18.65,-6.87,;18.34,-8.37,;17.51,-5.83,;17.83,-4.32,;9.35,-8.4,;10.25,-9.64,;9.62,-11.03,;10.52,-12.27,;12.05,-12.11,;12.66,-10.7,;11.76,-9.47,;12.37,-8.07,)|

BDBM50468597

c1cc(cc(c1)Br)COc2ccc(cc2)C(=O)N

BDBM50587473

c1ccc(cc1)COc2ccc3c(c2)-c4ccsc4NC3=O

BDBM50587475

c1cc(cc(c1)Br)COc2ccc3c(c2)-c4ccsc4NC3=O

BDBM50587476

CC(C)Oc1ccc2c(c1)-c3ccsc3NC2=O

BDBM50587478

CCOc1ccc2c(c1)-c3ccsc3NC2=O

BDBM50587474

c1cc2c(cc1O)-c3ccsc3NC2=O

BDBM50587477

COc1ccc2c(c1)-c3ccsc3NC2=O

BDBM50446131

c1ccc2c(c1)-c3ccsc3NC2=O

BDBM50593624

O=C1Nc2cc(CN3CCN(CC3)c3ccc(cn3)C#N)ccc2C2NCCCC12

BDBM50593625

O=C(Nc1cccc2c1cc[nH]c2=O)[C@H]1CCCNC1 |r|

BDBM50593626

COc1ccc(cc1)-n1c(SCCCN2C(=O)c3cccc4cccc(C2=O)c34)nnc1-c1ccncc1

BDBM50593628

CC(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@H]1CCn2cc(nn2)-c2cc(cc(c2)-c2cn(CC[C@H](NC(=O)CNC(=O)[C@H](CC(O)=O)NC(=O)CNC1=O)C(=O)N[C@@H](CCC(O)=O)C(N)=O)nn2)C(O)=O |r|

BDBM50593629

CC(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@H]1CCn2cc(CCCc3cn(CC[C@H](NC(=O)CNC(=O)[C@H](CC(O)=O)NC(=O)CNC1=O)C(=O)N[C@@H](CCC(O)=O)C(N)=O)nn3)nn2 |r|

BDBM50593630

c1cc(oc1)CNC(=O)c2ccc3c(c2)nccn3

BDBM50593990

c1cc(ccc1C(=O)N)OCC2CCCCC2

BDBM50593991

c1cc(ccc1C(=O)N)OCC2CCCC2

BDBM50593992

c1cc(ccc1C(=O)N)OCC2CCC2

BDBM50593993

c1cc(ccc1C(=O)N)OCC2CC2

BDBM50593994

c1cc(ccc1C(=O)N)OCc2cncs2

BDBM50593995

COc1cc(ccc1C(=O)N)OCC2CCCCC2

BDBM50593996

COc1cc(ccc1C(=O)N)OCc2cccc(c2)Br

BDBM50593997

COc1cc(OCc2cccc3ccccc23)ccc1C(N)=O

BDBM50593998

COc1cc(OCc2ccccc2F)ccc1C(N)=O

BDBM50593999

NC(=O)c1ccc(OCC2CCCCC2)cc1F

BDBM50594000

NC(=O)c1ccc(OCC2CCC2)cc1F

BDBM50594001

NC(=O)c1ccc(OCc2cccc(Br)c2)cc1F

BDBM50594002

COc1ccccc1COc1ccc(C(N)=O)c(F)c1

BDBM50594003

NC(=O)c1ccc(OCC2CCCCC2)cc1OCc1ccccn1

BDBM50594004

NC(=O)c1ccc(OCC2CCC2)cc1OCCN1CCNCC1

BDBM50594005

O=c1[nH][nH]c(=O)c2cc(OCC3CCCCC3)ccc12

BDBM50594006

O=c1[nH][nH]c(=O)c2cc(OCC3CCCC3)ccc12

BDBM50594007

O=c1[nH][nH]c(=O)c2cc(OCC3CCC3)ccc12

BDBM50594008

O=c1[nH][nH]c(=O)c2cc(OCC3CC3)ccc12

BDBM50594009

Brc1cccc(COc2ccc3c(c2)c(=O)[nH][nH]c3=O)c1

BDBM50594010

Fc1ccccc1COc1ccc2c(c1)c(=O)[nH][nH]c2=O

BDBM50594011

O=c1[nH][nH]c(=O)c2cc(OCc3ccsc3)ccc12

BDBM50594023

Cc1ccccc1NC(=O)c1ccc(NC(=O)N2CCN(CC2)C(=O)c2cc(Cc3n[nH]c(=O)c4ccccc34)ccc2F)cc1

BDBM50594024

Cc1ccc(NC(=O)c2ccc(NC(=O)N3CCN(CC3)C(=O)c3cc(Cc4n[nH]c(=O)c5ccccc45)ccc3F)cc2)cc1

BDBM50594025

Fc1ccccc1NC(=O)c1ccc(NC(=O)N2CCN(CC2)C(=O)c2cc(Cc3n[nH]c(=O)c4ccccc34)ccc2F)cc1

BDBM50594026

Fc1ccc(NC(=O)c2ccc(NC(=O)N3CCN(CC3)C(=O)c3cc(Cc4n[nH]c(=O)c5ccccc45)ccc3F)cc2)cc1

BDBM50594027

Fc1ccc(Cc2n[nH]c(=O)c3ccccc23)cc1C(=O)N1CCN(CC1)C(=O)Nc1ccc(cc1)C(=O)Nc1ccc(cc1)C(F)(F)F

BDBM50594028

COc1ccc(NC(=O)c2ccc(NC(=O)N3CCN(CC3)C(=O)c3cc(Cc4n[nH]c(=O)c5ccccc45)ccc3F)cc2)cc1

BDBM50594247

NC(=O)c1ccc(Oc2ccc(cc2)C#N)cc1

BDBM50272952

c1cc(cc(c1)Oc2ccc(cc2)C(=O)N)C(=O)N

BDBM50594893

COc1ccccc1NC(=O)c1ccc(NC(=O)N2CCN(CC2)C(=O)c2cc(Cc3n[nH]c(=O)c4ccccc34)ccc2F)cc1

BDBM209932

C[C@@]1(CCCN1)c1nc2c(cccc2[nH]1)C(N)=O

BDBM50616243

C[C@@H](CN1CC(C1)C(=O)N1CCN(CC1)c1ncc(cn1)C(F)(F)F)Nc1cn[nH]c(=O)c1C(F)(F)F |r|

BDBM50616415

Cc1ccc2c(c1)sc3n2cnn3

BDBM50616416

c1nnc2sc3ccccc3n12

BDBM50616417

Cc1ccc2c(c1)n3cnnc3s2

BDBM50616418

Cc1cccc2c1sc1nncn21

BDBM50616419

CCc1ccc2c(c1)sc1nncn21

BDBM50616420

CC(C)c1ccc2c(c1)sc3n2cnn3

BDBM50616421

c1cc2c(cc1Cl)sc3n2cnn3

BDBM50616422

Cc1cc(c2c(c1)sc3n2cnn3)C

BDBM50616423

Cc1ccc(F)c2c1sc1nncn21

BDBM50616424

COc1ccc2sc3nncn3c2c1

BDBM50616425

COc1ccc2c(c1)sc3n2cnn3

BDBM50616426

COc1cccc2c1sc1nncn21

BDBM50616427

COc1cccc2sc3nncn3c12

BDBM50616428

COc1ccc(c2c1n3cnnc3s2)OC

BDBM50616429

COc1cc(OC)c2sc3nncn3c2c1

BDBM50616430

c1cc2c(cc1O)sc3n2cnn3

BDBM50616431

Oc1cccc2c1sc1nncn21

BDBM50616432

Oc1ccc(O)c2c1sc1nncn21

BDBM50616433

Cc1ccc2c(c1)sc1nnc(O)n21

BDBM50616434

Cc1ccc2c(c1)sc1nnc(S)n21

BDBM50616435

Cc1ccc2c(c1)sc1nnc(N)n21

BDBM50616436

CSc1nnc2sc3cc(C)ccc3n12

BDBM50616437

Cc1ccc2c(c1)sc1nnc(SCc3ccc(Cl)cc3)n21

BDBM50616438

Cc1ccc2c(c1)sc1nnc(\N=C/c3ccc(Cl)cc3)n21

BDBM50616439

Cc1ccc2c(c1)sc1nnc(NCc3ccc(Cl)cc3)n21

BDBM50616440

COc1ccc(OC)c2c1sc1nnc(S)n21

BDBM50616441

COc1ccc(c2c1n3c(nnc3s2)N)OC

BDBM50616442

COc1ccc(OC)c2c1sc1nnc(SC)n21

BDBM50616443

COc1ccc(OC)c2c1sc1nnc(NC(=O)c3ccc(Cl)cc3)n21

BDBM50616444

COc1ccc(OC)c2c1sc1nnc(NC(=O)C(C)(C)C)n21

BDBM50616445

COc1ccc(OC)c2c1sc1nnc(NC(C)=O)n21

BDBM50628429

Fc1ccc(Cc2n[nH]c(=O)c3ccccc23)cc1C(=O)N1CCn2c(C1)nnc2-c1ccc(Br)o1

BDBM50638922

COc1ccc(Cl)cc1-c1cc(C)ncc1C(=O)Nc1nnc(OCC2CCN(C(=O)c3cc(Cc4n[nH]c(=O)c5ccccc45)ccc3F)CC2)s1

BDBM50639061

C[C@@H](COCCC(=O)N1CCN(c2ncc(OCc3ccc(/C=C/C(=O)NO)cc3)cn2)CC1)Nc1cn[nH]c(=O)c1C(F)(F)F

BDBM50642392

C[C@@H](C(=O)N1CCN(c2ncc(C(F)(F)F)cn2)CC1)n1cc2cccc(C(N)=O)c2n1