SMILES for Isoform Truncated 1 of E3 ubiquitin-protein ligase CBL-B [36-427]

110 SMILES Strings for Isoform Truncated 1 of E3 ubiquitin-protein ligase CBL-B [36-427]

Compound Name

SMILES String

CC1CCCCN(Cc2cc3C(=O)N(Cc3c(c2)C(F)(F)F)c2cccc(c2)[C@@]2(Cc3nncn3C)C[C@@H](C2)C#N)C1 |r,wU:37.43,wD:28.30,(-10.83,-2.31,;-9.32,-2.65,;-8.98,-4.15,;-7.59,-4.82,;-6.21,-4.15,;-5.86,-2.65,;-6.82,-1.45,;-6.05,-.11,;-4.51,-.11,;-3.74,1.22,;-2.2,1.22,;-1.17,2.37,;-1.49,3.87,;.23,1.74,;.07,.21,;-1.43,-.11,;-2.2,-1.45,;-3.74,-1.45,;-1.43,-2.78,;-2.2,-4.11,;.11,-2.78,;-.66,-4.11,;1.57,2.51,;1.57,4.05,;2.9,4.82,;4.23,4.05,;4.23,2.51,;2.9,1.74,;5.57,1.74,;4.23,.97,;4.23,-.57,;2.99,-1.48,;3.46,-2.94,;5,-2.94,;5.48,-1.48,;6.94,-1,;6.66,.65,;7.75,1.74,;6.66,2.83,;9.29,1.74,;10.83,1.74,;-8.36,-1.45,)|

BDBM585798

CC1CCCN(Cc2cc3C(=O)N(Cc3c(c2)C(F)(F)F)c2cccc(c2)[C@@]2(Cc3nncn3C)C[C@@H](C2)C#N)CC1 |r,wU:36.42,wD:27.29,(-10.51,-4.98,;-9.3,-4.02,;-7.9,-4.7,;-6.5,-4.02,;-6.15,-2.5,;-7.14,-1.29,;-6.37,.05,;-4.83,.05,;-4.06,1.38,;-2.52,1.38,;-1.49,2.53,;-1.81,4.03,;-.08,1.9,;-.24,.37,;-1.75,.05,;-2.52,-1.29,;-4.06,-1.29,;-1.75,-2.62,;-2.52,-3.95,;-.21,-2.62,;-.98,-3.95,;1.25,2.67,;1.25,4.21,;2.58,4.98,;3.92,4.21,;3.92,2.67,;2.58,1.9,;5.25,1.9,;3.92,1.13,;3.92,-.41,;2.67,-1.32,;3.15,-2.78,;4.69,-2.78,;5.16,-1.32,;6.63,-.84,;6.34,.81,;7.43,1.9,;6.34,2.99,;8.97,1.9,;10.51,1.9,;-8.68,-1.29,;-9.65,-2.5,)|

BDBM585819

CC1CCN(Cc2cc3C(=O)N(Cc3c(c2)C(F)(F)F)c2cccc(c2)[C@@]2(Cc3nncn3C)C[C@@H](C2)C#N)CC(C)O1 |r,wU:35.41,wD:26.28,(-10.67,-4.4,;-9.34,-3.63,;-9.56,-2.11,;-8.52,-.98,;-6.98,-1.09,;-6.21,.24,;-4.67,.24,;-3.9,1.57,;-2.36,1.57,;-1.33,2.72,;-1.65,4.22,;.08,2.09,;-.08,.56,;-1.59,.24,;-2.36,-1.09,;-3.9,-1.09,;-1.59,-2.43,;-2.36,-3.76,;-.05,-2.43,;-.82,-3.76,;1.41,2.86,;1.41,4.4,;2.74,5.17,;4.08,4.4,;4.08,2.86,;2.74,2.09,;5.41,2.09,;4.08,1.32,;4.08,-.22,;2.83,-1.12,;3.31,-2.59,;4.85,-2.59,;5.32,-1.12,;6.79,-.65,;6.5,1,;7.59,2.09,;6.5,3.18,;9.13,2.09,;10.67,2.09,;-6.11,-2.37,;-6.57,-3.84,;-5.8,-5.17,;-8,-4.4,)|

BDBM585821

CC1CCN(Cc2cc3C(=O)N(Cc3c(c2)C(F)(F)F)c2cccc(c2)[C@@]2(Cc3nncn3C)C[C@@H](C2)C#N)CCO1 |r,wU:35.41,wD:26.28,(-10.67,-4.79,;-9.34,-4.02,;-9.56,-2.49,;-8.52,-1.36,;-6.98,-1.48,;-6.21,-.15,;-4.67,-.15,;-3.9,1.19,;-2.36,1.19,;-1.33,2.33,;-1.65,3.84,;.08,1.71,;-.08,.17,;-1.59,-.15,;-2.36,-1.48,;-3.9,-1.48,;-1.59,-2.81,;-2.36,-4.15,;-.05,-2.81,;-.82,-4.15,;1.41,2.48,;1.41,4.02,;2.74,4.79,;4.08,4.02,;4.08,2.48,;2.74,1.71,;5.41,1.71,;4.08,.94,;4.08,-.6,;2.83,-1.51,;3.31,-2.97,;4.85,-2.97,;5.32,-1.51,;6.79,-1.03,;6.5,.62,;7.59,1.71,;6.5,2.79,;9.13,1.71,;10.67,1.71,;-6.11,-2.75,;-6.57,-4.22,;-8,-4.79,)|

BDBM575663

CC1CN(Cc2cc3C(=O)N(Cc3c(c2)C(F)(F)F)c2cccc(c2)C2(CC2)[C@@H](F)c2nncn2C)CCC1(F)F |r|

BDBM575662

CC1CN(Cc2cc3C(=O)N(Cc3c(c2)C(F)(F)F)c2cccc(c2)C2(CC2)[C@H](F)c2nncn2C)CCC1(F)F |r|

BDBM575661

CC1CN(Cc2cc3C(=O)N(Cc3c(c2)C(F)(F)F)c2cccc(c2)C2(Cc3nncn3C)CC2)CCC1(F)F

BDBM585818

CC1CN(Cc2cc3C(=O)N(Cc3c(c2)C(F)(F)F)c2cccc(c2)[C@@]2(Cc3nncn3C)C[C@@H](C2)C#N)CCCO1 |r,wU:34.40,wD:25.27,(-6.35,-5.17,;-7.12,-3.84,;-6.67,-2.37,;-7.53,-1.09,;-6.76,.24,;-5.22,.24,;-4.45,1.57,;-2.91,1.57,;-1.88,2.72,;-2.2,4.22,;-.48,2.09,;-.64,.56,;-2.14,.24,;-2.91,-1.09,;-4.45,-1.09,;-2.14,-2.43,;-2.91,-3.76,;-.6,-2.43,;-1.37,-3.76,;.86,2.86,;.86,4.4,;2.19,5.17,;3.53,4.4,;3.53,2.86,;2.19,2.09,;4.86,2.09,;3.53,1.32,;3.53,-.22,;2.28,-1.12,;2.76,-2.59,;4.3,-2.59,;4.77,-1.12,;6.24,-.65,;5.95,1,;7.04,2.09,;5.95,3.18,;8.58,2.09,;10.12,2.09,;-9.07,-.98,;-10.12,-2.11,;-9.89,-3.63,;-8.55,-4.4,)|

BDBM585820

CC1COCCN(Cc2cc3C(=O)N(Cc3c(c2)C(F)(F)F)c2cccc(c2)[C@@]2(Cc3nncn3C)C[C@@H](C2)C#N)C1 |r,wU:37.43,wD:28.30,(-10.83,-2.31,;-9.32,-2.65,;-8.98,-4.15,;-7.59,-4.82,;-6.21,-4.15,;-5.86,-2.65,;-6.82,-1.45,;-6.05,-.11,;-4.51,-.11,;-3.74,1.22,;-2.2,1.22,;-1.17,2.37,;-1.49,3.87,;.23,1.74,;.07,.21,;-1.43,-.11,;-2.2,-1.45,;-3.74,-1.45,;-1.43,-2.78,;-2.2,-4.11,;.11,-2.78,;-.66,-4.11,;1.57,2.51,;1.57,4.05,;2.9,4.82,;4.23,4.05,;4.23,2.51,;2.9,1.74,;5.57,1.74,;4.23,.97,;4.23,-.57,;2.99,-1.48,;3.46,-2.94,;5,-2.94,;5.48,-1.48,;6.94,-1,;6.66,.65,;7.75,1.74,;6.66,2.83,;9.29,1.74,;10.83,1.74,;-8.36,-1.45,)|

BDBM585790

CCC1CN(Cc2cc3C(=O)N(Cc3c(c2)C(F)(F)F)c2cccc(c2)[C@@]2(Cc3nncn3C)C[C@@H](C2)C#N)CCCO1 |r,wU:35.41,wD:26.28,(-11.35,-3.44,;-10.3,-2.31,;-8.8,-2.65,;-7.84,-1.45,;-6.3,-1.45,;-5.53,-.11,;-3.99,-.11,;-3.22,1.22,;-1.68,1.22,;-.65,2.37,;-.97,3.87,;.76,1.74,;.6,.21,;-.91,-.11,;-1.68,-1.45,;-3.22,-1.45,;-.91,-2.78,;-1.68,-4.11,;.63,-2.78,;-.14,-4.11,;2.09,2.51,;2.09,4.05,;3.42,4.82,;4.76,4.05,;4.76,2.51,;3.42,1.74,;6.09,1.74,;4.76,.97,;4.76,-.57,;3.51,-1.48,;3.99,-2.94,;5.53,-2.94,;6,-1.48,;7.47,-1,;7.18,.65,;8.27,1.74,;7.18,2.83,;9.81,1.74,;11.35,1.74,;-5.34,-2.65,;-5.68,-4.15,;-7.07,-4.82,;-8.46,-4.15,)|

BDBM585828

CCC1COCCN(Cc2cc3C(=O)N(Cc3c(c2)C(F)(F)F)c2cccc(c2)[C@@]2(Cc3nncn3C)C[C@@H](C2)C#N)C1 |r,wU:38.44,wD:29.31,(-11.36,-3.4,;-10.3,-2.28,;-8.8,-2.63,;-8.47,-4.14,;-7.09,-4.82,;-5.7,-4.16,;-5.34,-2.66,;-6.29,-1.45,;-5.52,-.12,;-3.98,-.12,;-3.21,1.22,;-1.67,1.22,;-.64,2.36,;-.96,3.87,;.77,1.74,;.6,.2,;-.9,-.12,;-1.67,-1.45,;-3.21,-1.45,;-.9,-2.78,;-1.67,-4.12,;.64,-2.78,;-.13,-4.12,;2.1,2.51,;2.1,4.05,;3.43,4.82,;4.77,4.05,;4.77,2.51,;3.43,1.74,;6.1,1.74,;4.77,.97,;4.77,-.57,;3.52,-1.48,;4,-2.94,;5.54,-2.94,;6.01,-1.48,;7.48,-1,;7.19,.65,;8.28,1.74,;7.19,2.83,;9.82,1.74,;11.36,1.74,;-7.83,-1.44,)|

BDBM575664

CCNc1cc(cc(n1)N1Cc2c(cc(CN3CCC(F)(F)[C@H](C)C3)cc2C(F)(F)F)C1=O)C1(Cc2nncn2C)COC1 |r|

BDBM575679

CCNc1cc(cc(n1)N1Cc2c(cc(CN3CCC(F)(F)[C@H](C)C3)nc2C2CC2)C1=O)C1(Cc2nncn2C)COC1 |r|

BDBM575681

CCNc1cc(cc(n1)N1Cc2c(cc(CN3CCC[C@H](C)C3)cc2C(F)(F)F)C1=O)C1(Cc2nncn2C)COC1 |r|

BDBM575680

CCNc1cc(cc(n1)N1Cc2c(cc(CN3CCC[C@H](C)C3)nc2C2CC2)C1=O)C1(Cc2nncn2C)COC1 |r|

BDBM575665

CCOc1cc(cc(n1)N1Cc2c(cc(CN3CCC(F)(F)[C@H](C)C3)cc2C(F)(F)F)C1=O)C1(Cc2nncn2C)COC1 |r|

BDBM575678

CCOc1cc(cc(n1)N1Cc2c(cc(CN3CCC(F)(F)[C@H](C)C3)nc2C2CCC2)C1=O)C1(Cc2nncn2C)COC1 |r|

BDBM575676

CCOc1cc(cc(n1)N1Cc2c(cc(CN3CCC[C@H](C)C3)cc2C(F)(F)F)C1=O)C1(Cc2nncn2C)COC1 |r|

BDBM575677

CCOc1cc(cc(n1)N1Cc2c(cc(CN3CCC[C@H](C)C3)nc2C2CC2)C1=O)C1(Cc2nncn2C)COC1 |r|

BDBM585807

CN(Cc1cc2C(=O)N(Cc2c(c1)C(F)(F)F)c1cccc(c1)[C@@]1(Cc2nncn2C)C[C@@H](C1)C#N)C1CC(F)(F)C1 |r,wU:32.38,wD:23.25,(-5.53,-3.13,;-6.3,-1.8,;-5.53,-.47,;-3.99,-.47,;-3.22,.87,;-1.68,.87,;-.65,2.01,;-.97,3.52,;.76,1.39,;.6,-.15,;-.91,-.47,;-1.68,-1.8,;-3.22,-1.8,;-.91,-3.13,;-1.68,-4.47,;.63,-3.13,;-.14,-4.47,;2.09,2.16,;2.09,3.7,;3.43,4.47,;4.76,3.7,;4.76,2.16,;3.43,1.39,;6.09,1.39,;4.76,.62,;4.76,-.92,;3.51,-1.83,;3.99,-3.29,;5.53,-3.29,;6.01,-1.83,;7.47,-1.35,;7.18,.3,;8.27,1.39,;7.18,2.48,;9.81,1.39,;11.35,1.39,;-7.84,-1.8,;-8.93,-.71,;-10.02,-1.8,;-11.35,-1.03,;-11.35,-2.57,;-8.93,-2.89,)|

BDBM585817

CN(Cc1cc2C(=O)N(Cc2c(c1)C(F)(F)F)c1cccc(c1)[C@@]1(Cc2nncn2C)C[C@@H](C1)C#N)C1CCC(F)(F)C1 |r,wU:32.38,wD:23.25,(-5.33,-3.13,;-6.1,-1.8,;-5.33,-.47,;-3.79,-.47,;-3.02,.87,;-1.48,.87,;-.45,2.01,;-.77,3.52,;.96,1.39,;.8,-.15,;-.71,-.47,;-1.48,-1.8,;-3.02,-1.8,;-.71,-3.13,;-1.48,-4.47,;.83,-3.13,;.06,-4.47,;2.29,2.16,;2.29,3.7,;3.62,4.47,;4.96,3.7,;4.96,2.16,;3.62,1.39,;6.29,1.39,;4.96,.62,;4.96,-.92,;3.71,-1.83,;4.19,-3.29,;5.73,-3.29,;6.2,-1.83,;7.67,-1.35,;7.38,.3,;8.47,1.39,;7.38,2.48,;10.01,1.39,;11.55,1.39,;-7.64,-1.8,;-8.55,-.55,;-10.01,-1.03,;-10.01,-2.57,;-11.55,-2.57,;-10.01,-4.11,;-8.55,-3.04,)|

BDBM585830

COCC1CCCCN(Cc2cc3C(=O)N(Cc3c(c2)C(F)(F)F)c2cccc(c2)[C@@]2(Cc3nncn3C)C[C@@H](C2)C#N)C1 |r,wU:39.45,wD:30.32,(-12.11,-3.04,;-10.61,-3.4,;-9.55,-2.28,;-8.05,-2.63,;-7.72,-4.14,;-6.34,-4.82,;-4.95,-4.16,;-4.59,-2.66,;-5.54,-1.45,;-4.77,-.12,;-3.23,-.12,;-2.46,1.22,;-.92,1.22,;.11,2.36,;-.21,3.87,;1.51,1.74,;1.35,.2,;-.15,-.12,;-.92,-1.45,;-2.46,-1.45,;-.15,-2.78,;-.92,-4.12,;1.39,-2.78,;.62,-4.12,;2.85,2.51,;2.85,4.05,;4.18,4.82,;5.52,4.05,;5.52,2.51,;4.18,1.74,;6.85,1.74,;5.52,.97,;5.52,-.57,;4.27,-1.48,;4.75,-2.94,;6.29,-2.94,;6.76,-1.48,;8.23,-1,;7.94,.65,;9.03,1.74,;7.94,2.83,;10.57,1.74,;12.11,1.74,;-7.08,-1.44,)|

BDBM585831

COCC1COCCN(Cc2cc3C(=O)N(Cc3c(c2)C(F)(F)F)c2cccc(c2)[C@@]2(Cc3nncn3C)C[C@@H](C2)C#N)C1 |r,wU:39.45,wD:30.32,(-12.11,-3.04,;-10.61,-3.4,;-9.55,-2.28,;-8.05,-2.63,;-7.72,-4.14,;-6.34,-4.82,;-4.95,-4.16,;-4.59,-2.66,;-5.54,-1.45,;-4.77,-.12,;-3.23,-.12,;-2.46,1.22,;-.92,1.22,;.11,2.36,;-.21,3.87,;1.51,1.74,;1.35,.2,;-.15,-.12,;-.92,-1.45,;-2.46,-1.45,;-.15,-2.78,;-.92,-4.12,;1.39,-2.78,;.62,-4.12,;2.85,2.51,;2.85,4.05,;4.18,4.82,;5.52,4.05,;5.52,2.51,;4.18,1.74,;6.85,1.74,;5.52,.97,;5.52,-.57,;4.27,-1.48,;4.75,-2.94,;6.29,-2.94,;6.76,-1.48,;8.23,-1,;7.94,.65,;9.03,1.74,;7.94,2.83,;10.57,1.74,;12.11,1.74,;-7.08,-1.44,)|

BDBM575686

C[C@@H](N1CCC(F)(F)[C@H](C)C1)c1cc2C(=O)N(Cc2c(n1)C1CC1)c1cccc(c1)C1(Cc2nncn2C)COC1 |r|

BDBM575688

C[C@@H](N1CCC[C@H](C)C1)c1cc2C(=O)N(Cc2c(n1)C1CC1)c1cccc(c1)C1(Cc2nncn2C)COC1 |r|

BDBM575634

C[C@@H]1CCCN(Cc2cc3C(=O)N(Cc3c(c2)C(F)(F)F)c2cccc(c2)C2(Cc3nncn3C)COC2)C1 |r|

BDBM585843

C[C@@H]1CN(CCO1)C(C)(C)c1cc2C(=O)N(Cc2c(c1)C(F)(F)F)c1cccc(c1)[C@@]1(Cc2nncn2C)C[C@@H](C1)C#N |r,wU:39.46,wD:1.0,30.33,(-9.89,5.13,;-9.12,3.8,;-7.58,3.8,;-6.81,2.46,;-7.58,1.13,;-9.12,1.13,;-9.89,2.46,;-5.27,2.46,;-5.27,4,;-3.93,3.23,;-4.53,1.13,;-2.99,1.13,;-2.22,-.2,;-.72,-.52,;.43,.51,;-.55,-2.05,;-1.96,-2.68,;-2.99,-1.53,;-4.53,-1.53,;-5.3,-.2,;-5.3,-2.87,;-6.84,-2.87,;-4.53,-4.2,;-6.07,-4.2,;.78,-2.82,;.78,-4.36,;2.11,-5.13,;3.45,-4.36,;3.45,-2.82,;2.11,-2.05,;4.78,-2.05,;6.11,-2.82,;7.45,-2.05,;7.61,-.52,;9.12,-.2,;9.89,-1.53,;8.85,-2.68,;9.18,-4.18,;5.87,-.96,;4.74,.17,;3.69,-.96,;4.71,1.71,;4.68,3.25,)|

BDBM575669

C[C@@H]1CN(Cc2cc(nc(c2)C(=O)Nc2cccc(c2)C2(Cc3nncn3C)COC2)C2CC2)CCC1(F)F |r|

BDBM585841

C[C@@H]1CN(Cc2cc(nc(c2)C(=O)Nc2cccc(c2)[C@@]2(Cc3nncn3C)C[C@@H](C2)C#N)C2CC2)CCO1 |r,wU:29.34,wD:20.21,1.0,(-9.64,4.14,;-8.87,2.81,;-7.33,2.81,;-6.56,1.47,;-5.02,1.47,;-4.28,.14,;-5.05,-1.19,;-4.28,-2.53,;-2.74,-2.53,;-1.97,-1.19,;-2.74,.14,;-.43,-1.19,;.34,.14,;.34,-2.53,;1.88,-2.53,;2.65,-3.86,;4.19,-3.86,;4.96,-2.53,;4.19,-1.19,;2.65,-1.19,;4.96,.14,;5.73,-1.19,;7.27,-1.19,;8.17,.05,;9.64,-.42,;9.64,-1.96,;8.17,-2.44,;7.7,-3.9,;6.05,1.23,;4.96,2.32,;3.87,1.23,;4.96,3.86,;4.96,5.4,;-5.05,-3.86,;-6.39,-4.63,;-5.05,-5.4,;-7.33,.14,;-8.87,.14,;-9.64,1.47,)|

BDBM585842

C[C@@H]1CN(Cc2cc(nc(n2)C2CC2)C(=O)Nc2cccc(c2)[C@@]2(Cc3nncn3C)C[C@@H](C2)C#N)CCC1(F)F |r,wU:32.38,wD:23.25,1.0,(-8.97,4.14,;-8.2,2.81,;-6.66,2.81,;-5.89,1.47,;-4.35,1.47,;-3.62,.14,;-2.08,.14,;-1.31,-1.19,;-2.08,-2.53,;-3.62,-2.53,;-4.39,-1.19,;-4.39,-3.86,;-5.72,-4.63,;-4.39,-5.4,;.23,-1.19,;1,.14,;1,-2.53,;2.54,-2.53,;3.31,-3.86,;4.85,-3.86,;5.62,-2.53,;4.85,-1.19,;3.31,-1.19,;5.62,.14,;6.39,-1.19,;7.93,-1.19,;8.84,.05,;10.3,-.42,;10.3,-1.96,;8.84,-2.44,;8.36,-3.9,;6.71,1.23,;5.62,2.32,;4.53,1.23,;5.62,3.86,;5.62,5.4,;-6.66,.14,;-8.2,.14,;-8.97,1.47,;-10.06,.38,;-10.3,2.24,)|

BDBM575666

C[C@@H]1CN(Cc2cc3C(=O)N(Cc3c(c2)C(F)(F)F)c2cc(cc(NC3COC3)n2)C2(Cc3nncn3C)COC2)CCC1(F)F |r|

BDBM575667

C[C@@H]1CN(Cc2cc3C(=O)N(Cc3c(c2)C(F)(F)F)c2cc(cc(n2)C2CC2)C2(Cc3nncn3C)COC2)CCC1(F)F |r|

BDBM575668

C[C@@H]1CN(Cc2cc3C(=O)N(Cc3c(c2)C(F)(F)F)c2cccc(c2)C2(Cc3nncn3C(F)F)COC2)CCC1(F)F |r|

BDBM575639

C[C@@H]1CN(Cc2cc3C(=O)N(Cc3c(c2)C(F)(F)F)c2cccc(c2)C2(Cc3nncn3C)COC2)CCC1(F)F |r|

BDBM585796

C[C@@H]1CN(Cc2cc3C(=O)N(Cc3c(c2)C(F)(F)F)c2cccc(c2)[C@@]2(Cc3nncn3C)C[C@@H](C2)C#N)CCC1(F)F |r,wU:34.40,wD:25.27,1.0,(-10.75,-2.36,;-9.21,-2.36,;-8.44,-1.03,;-6.9,-1.03,;-6.13,.3,;-4.59,.3,;-3.82,1.64,;-2.28,1.64,;-1.25,2.78,;-1.57,4.29,;.16,2.16,;-0,.62,;-1.51,.3,;-2.28,-1.03,;-3.82,-1.03,;-1.51,-2.36,;-2.28,-3.7,;.03,-2.36,;-.74,-3.7,;1.49,2.93,;1.49,4.47,;2.82,5.24,;4.16,4.47,;4.16,2.93,;2.82,2.16,;5.49,2.16,;4.16,1.39,;4.16,-.15,;2.91,-1.06,;3.39,-2.52,;4.93,-2.52,;5.4,-1.06,;6.87,-.58,;6.58,1.07,;7.67,2.16,;6.58,3.25,;9.21,2.16,;10.75,2.16,;-6.13,-2.36,;-6.9,-3.7,;-8.44,-3.7,;-8.44,-5.24,;-9.77,-4.47,)|

BDBM585791

C[C@@H]1CN(Cc2cc3C(=O)N(Cc3c(c2)C(F)(F)F)c2cccc(c2)[C@@]2(Cc3nncn3C)C[C@@H](C2)C#N)CCO1 |r,wU:34.40,wD:25.27,1.0,(-10.75,-3.13,;-9.21,-3.13,;-8.44,-1.8,;-6.9,-1.8,;-6.13,-.47,;-4.59,-.47,;-3.82,.87,;-2.28,.87,;-1.25,2.01,;-1.57,3.52,;.16,1.39,;-0,-.15,;-1.51,-.47,;-2.28,-1.8,;-3.82,-1.8,;-1.51,-3.13,;-2.28,-4.47,;.03,-3.13,;-.74,-4.47,;1.49,2.16,;1.49,3.7,;2.82,4.47,;4.16,3.7,;4.16,2.16,;2.82,1.39,;5.49,1.39,;4.16,.62,;4.16,-.92,;2.91,-1.83,;3.39,-3.29,;4.93,-3.29,;5.4,-1.83,;6.87,-1.35,;6.58,.3,;7.67,1.39,;6.58,2.48,;9.21,1.39,;10.75,1.39,;-6.13,-3.13,;-6.9,-4.47,;-8.44,-4.47,)|

BDBM585836

C[C@@H]1CN(Cc2cc3C(=O)N(Cc3c(c2)C(F)(F)F)c2cccc(c2)[C@@]2(Cc3nncn3C)C[C@H](CC#N)C2)CCC1(F)F |r,wU:34.38,wD:25.27,1.0,(-10.74,-2.36,;-9.2,-2.36,;-8.43,-1.03,;-6.91,-1.03,;-6.14,.3,;-4.6,.3,;-3.83,1.64,;-2.29,1.64,;-1.26,2.78,;-1.58,4.29,;.15,2.16,;-.01,.62,;-1.52,.3,;-2.29,-1.03,;-3.83,-1.03,;-1.52,-2.36,;-2.29,-3.7,;.02,-2.36,;-.75,-3.7,;1.48,2.93,;1.48,4.47,;2.82,5.24,;4.15,4.47,;4.15,2.93,;2.82,2.16,;5.48,2.16,;4.15,1.39,;4.15,-.15,;2.9,-1.06,;3.38,-2.52,;4.92,-2.52,;5.4,-1.06,;6.86,-.58,;6.57,1.07,;7.66,2.16,;9.2,2.16,;9.97,3.49,;10.74,4.82,;6.57,3.25,;-6.12,-2.36,;-6.89,-3.7,;-8.43,-3.7,;-8.43,-5.24,;-9.92,-4.09,)|

BDBM585795

C[C@@H]1CN(Cc2cc3C(=O)N(Cc3c(c2)C(F)(F)F)c2cccc(c2)[C@@]2(Cc3nncn3C)C[C@](C)(C2)C#N)CCO1 |r,wU:34.38,wD:25.27,1.0,34.41,(-10.81,-.55,;-9.31,-.88,;-8.27,.27,;-6.77,-.06,;-5.73,1.08,;-4.23,.76,;-3.2,1.9,;-1.69,1.58,;-.44,2.48,;-.44,4.02,;.8,1.57,;.32,.11,;-1.22,.11,;-2.25,-1.03,;-3.76,-.71,;-1.78,-2.5,;-2.81,-3.64,;-.27,-2.82,;-1.31,-3.96,;2.27,2.04,;2.59,3.55,;4.06,4.02,;5.2,2.99,;4.87,1.48,;3.41,1.01,;6.02,.45,;4.55,-.02,;4.23,-1.53,;2.76,-2,;2.75,-3.54,;4.22,-4.02,;5.13,-2.78,;6.67,-2.79,;6.85,-.85,;8.15,-.01,;9.23,-1.1,;7.31,1.28,;9.48,.76,;10.81,1.53,;-6.3,-1.52,;-7.33,-2.67,;-8.84,-2.34,)|

BDBM585837

C[C@@H]1CN(Cc2cc3C(=O)N(Cc3c(c2)C(F)(F)F)c2cccc(c2)[C@]2(Cc3nncn3C)C[C@H](CC#N)C2)CCC1(F)F |r,wD:25.27,1.0,34.38,(-10.74,-2.36,;-9.2,-2.36,;-8.43,-1.03,;-6.91,-1.03,;-6.14,.3,;-4.6,.3,;-3.83,1.64,;-2.29,1.64,;-1.26,2.78,;-1.58,4.29,;.15,2.16,;-.01,.62,;-1.52,.3,;-2.29,-1.03,;-3.83,-1.03,;-1.52,-2.36,;-2.29,-3.7,;.02,-2.36,;-.75,-3.7,;1.48,2.93,;1.48,4.47,;2.82,5.24,;4.15,4.47,;4.15,2.93,;2.82,2.16,;5.48,2.16,;4.15,1.39,;4.15,-.15,;2.9,-1.06,;3.38,-2.52,;4.92,-2.52,;5.4,-1.06,;6.86,-.58,;6.57,3.25,;7.66,2.16,;9.2,2.16,;9.97,3.49,;10.74,4.82,;6.57,1.07,;-6.12,-2.36,;-6.89,-3.7,;-8.43,-3.7,;-8.43,-5.24,;-9.92,-4.09,)|

BDBM585792

C[C@@H]1CN(Cc2cc3C(=O)N(Cc3c(c2)C(F)(F)F)c2cccc(c2)[C@]2(Cc3nncn3C)C[C@](C)(C2)C#N)CCO1 |r,wU:34.41,wD:25.27,34.38,1.0,(-10.81,-.56,;-9.31,-.88,;-8.27,.26,;-6.77,-.06,;-5.73,1.08,;-4.23,.75,;-3.2,1.9,;-1.69,1.57,;-.44,2.47,;-.44,4.01,;.8,1.56,;.32,.1,;-1.22,.11,;-2.25,-1.04,;-3.76,-.71,;-1.78,-2.5,;-2.81,-3.64,;-.27,-2.83,;-1.31,-3.97,;2.27,2.04,;2.59,3.54,;4.06,4.01,;5.2,2.98,;4.87,1.48,;3.41,1,;6.02,.44,;4.55,-.03,;4.23,-1.54,;2.82,-2.16,;2.97,-3.69,;4.48,-4.01,;5.25,-2.68,;6.79,-2.53,;7.31,1.28,;8.15,-.02,;9.23,-1.11,;6.85,-.85,;9.48,.75,;10.81,1.52,;-6.3,-1.53,;-7.33,-2.67,;-8.84,-2.35,)|

BDBM575675

C[C@@H]1CN(Cc2cc3C(=O)N(Cc3c(n2)C2CC2)c2cccc(c2)C2(Cc3nncn3C(F)F)COC2)CCC1(F)F |r|

BDBM575671

C[C@@H]1CN(Cc2cc3C(=O)N(Cc3c(n2)C2CC2)c2cccc(c2)C2(Cc3nncn3C)COC2)CCC1(F)F |r|

BDBM585827

C[C@@H]1CN(Cc2cc3C(=O)N(Cc3c(n2)C2CC2)c2cccc(c2)[C@@]2(Cc3nncn3C)C[C@@H](C2)C#N)CCC1(F)F |r,wU:33.40,wD:24.27,1.0,(-10.74,-2.36,;-9.2,-2.36,;-8.43,-1.03,;-6.91,-1.03,;-6.14,.3,;-4.6,.3,;-3.83,1.64,;-2.29,1.64,;-1.26,2.78,;-1.58,4.29,;.15,2.16,;-.01,.62,;-1.52,.3,;-2.29,-1.03,;-3.83,-1.03,;-1.52,-2.36,;-1.52,-3.9,;-.18,-3.13,;1.48,2.93,;1.48,4.47,;2.82,5.24,;4.15,4.47,;4.15,2.93,;2.82,2.16,;5.48,2.16,;4.15,1.39,;4.15,-.15,;2.9,-1.06,;3.38,-2.52,;4.92,-2.52,;5.4,-1.06,;6.86,-.58,;6.57,1.07,;7.66,2.16,;6.57,3.25,;9.2,2.16,;10.74,2.16,;-6.12,-2.36,;-6.89,-3.7,;-8.43,-3.7,;-8.43,-5.24,;-9.77,-4.47,)|

BDBM575685

C[C@H](N1CCC(F)(F)[C@H](C)C1)c1cc2C(=O)N(Cc2c(n1)C1CC1)c1cccc(c1)C1(Cc2nncn2C)COC1 |r|

BDBM575687

C[C@H](N1CCC[C@H](C)C1)c1cc2C(=O)N(Cc2c(n1)C1CC1)c1cccc(c1)C1(Cc2nncn2C)COC1 |r|

BDBM585840

C[C@H]1CCCN(Cc2cc(nc(c2)C(=O)Nc2cccc(c2)[C@@]2(Cc3nncn3C)C[C@@H](C2)C#N)C2CC2)C1 |r,wU:31.36,wD:22.23,1.0,(-9.64,4.14,;-8.87,2.81,;-9.64,1.47,;-8.87,.14,;-7.33,.14,;-6.56,1.47,;-5.02,1.47,;-4.28,.14,;-5.05,-1.19,;-4.28,-2.53,;-2.74,-2.53,;-1.97,-1.19,;-2.74,.14,;-.43,-1.19,;.34,.14,;.34,-2.53,;1.88,-2.53,;2.65,-3.86,;4.19,-3.86,;4.96,-2.53,;4.19,-1.19,;2.65,-1.19,;4.96,.14,;5.73,-1.19,;7.27,-1.19,;8.17,.05,;9.64,-.42,;9.64,-1.96,;8.17,-2.44,;7.7,-3.9,;6.05,1.23,;4.96,2.32,;3.87,1.23,;4.96,3.86,;4.96,5.4,;-5.05,-3.86,;-6.39,-4.63,;-5.05,-5.4,;-7.33,2.81,)|

BDBM575683

C[C@H]1CCCN(Cc2cc3C(=O)N(Cc3c(c2)C(F)(F)F)c2cc(cc(Cl)n2)C2(Cc3nncn3C)COC2)C1 |r|

BDBM575684

C[C@H]1CCCN(Cc2cc3C(=O)N(Cc3c(c2)C(F)(F)F)c2cc(ccn2)C2(Cc3nncn3C)COC2)C1 |r|

BDBM575673

C[C@H]1CCCN(Cc2cc3C(=O)N(Cc3c(c2)C(F)(F)F)c2cccc(c2)C2(Cc3nncn3C(F)F)COC2)C1 |r|

BDBM575632

C[C@H]1CCCN(Cc2cc3C(=O)N(Cc3c(c2)C(F)(F)F)c2cccc(c2)C2(Cc3nncn3C)COC2)C1 |r|

BDBM575650

C[C@H]1CCCN(Cc2cc3C(=O)N(Cc3c(c2)C(F)(F)F)c2cccc(c2)C2(Cc3nncn3C)COC2)[C@H]1C |r|

BDBM585804

C[C@H]1CCCN(Cc2cc3C(=O)N(Cc3c(c2)C(F)(F)F)c2cccc(c2)[C@@]2(Cc3nncn3C)C[C@@H](C2)C#N)C1 |r,wU:36.42,wD:27.29,1.0,(-10.75,-3.13,;-9.21,-3.13,;-8.44,-4.47,;-6.9,-4.47,;-6.13,-3.13,;-6.9,-1.8,;-6.13,-.47,;-4.59,-.47,;-3.82,.87,;-2.28,.87,;-1.25,2.01,;-1.57,3.52,;.16,1.39,;-0,-.15,;-1.51,-.47,;-2.28,-1.8,;-3.82,-1.8,;-1.51,-3.13,;-2.28,-4.47,;.03,-3.13,;-.74,-4.47,;1.49,2.16,;1.49,3.7,;2.82,4.47,;4.16,3.7,;4.16,2.16,;2.82,1.39,;5.49,1.39,;4.16,.62,;4.16,-.92,;2.91,-1.83,;3.39,-3.29,;4.93,-3.29,;5.4,-1.83,;6.87,-1.35,;6.58,.3,;7.67,1.39,;6.58,2.48,;9.21,1.39,;10.75,1.39,;-8.44,-1.8,)|

BDBM575674

C[C@H]1CCCN(Cc2cc3C(=O)N(Cc3c(n2)C2CC2)c2cccc(c2)C2(Cc3nncn3C(F)F)COC2)C1 |r|

BDBM575672

C[C@H]1CCCN(Cc2cc3C(=O)N(Cc3c(n2)C2CC2)c2cccc(c2)C2(Cc3nncn3C)COC2)C1 |r|

BDBM585825

C[C@H]1CCCN(Cc2cc3C(=O)N(Cc3c(n2)C2CC2)c2cccc(c2)[C@@]2(Cc3nncn3C)C[C@@H](C2)C#N)C1 |r,wU:35.42,wD:26.29,1.0,(-10.74,-3.03,;-9.2,-3.03,;-8.43,-4.36,;-6.89,-4.36,;-6.12,-3.03,;-6.91,-1.7,;-6.14,-.36,;-4.6,-.36,;-3.83,.97,;-2.29,.97,;-1.26,2.12,;-1.58,3.62,;.15,1.49,;-.01,-.04,;-1.52,-.36,;-2.29,-1.7,;-3.83,-1.7,;-1.52,-3.03,;-1.52,-4.57,;-.18,-3.8,;1.48,2.26,;1.48,3.8,;2.82,4.57,;4.15,3.8,;4.15,2.26,;2.82,1.49,;5.48,1.49,;4.15,.72,;4.15,-.82,;2.9,-1.73,;3.38,-3.19,;4.92,-3.19,;5.4,-1.73,;6.86,-1.25,;6.57,.4,;7.66,1.49,;6.57,2.58,;9.2,1.49,;10.74,1.49,;-8.43,-1.7,)|

BDBM575670

C[C@H]1CN(Cc2cc(nc(c2)C(=O)Nc2cccc(c2)C2(Cc3nncn3C)COC2)C2CC2)CCC1(F)F |r|

BDBM575640

C[C@H]1CN(Cc2cc3C(=O)N(Cc3c(c2)C(F)(F)F)c2cccc(c2)C2(Cc3nncn3C)COC2)CCC1(F)F |r|

BDBM575648

C[C@H]1CN(Cc2cc3C(=O)N(Cc3c(c2)C(F)(F)F)c2cccc(c2)C2(Cc3nncn3C)COC2)C[C@@H](C)C1(F)F |r|

BDBM585800

C[C@H]1CN(Cc2cc3C(=O)N(Cc3c(c2)C(F)(F)F)c2cccc(c2)[C@@]2(Cc3nncn3C)C[C@@H](C2)C#N)C[C@@H](C)O1 |r,wU:34.40,wD:25.27,39.44,1.0,(-6.5,-5.21,;-6.9,-3.72,;-6.13,-2.39,;-6.9,-1.06,;-6.13,.28,;-4.59,.28,;-3.82,1.61,;-2.28,1.61,;-1.25,2.76,;-1.57,4.26,;.16,2.13,;-0,.6,;-1.51,.28,;-2.28,-1.06,;-3.82,-1.06,;-1.51,-2.39,;-2.28,-3.72,;.03,-2.39,;-.74,-3.72,;1.49,2.9,;1.49,4.44,;2.82,5.21,;4.16,4.44,;4.16,2.9,;2.82,2.13,;5.49,2.13,;4.16,1.36,;4.16,-.18,;2.91,-1.09,;3.39,-2.55,;4.93,-2.55,;5.4,-1.09,;6.87,-.61,;6.58,1.04,;7.67,2.13,;6.58,3.22,;9.21,2.13,;10.75,2.13,;-8.44,-1.06,;-9.21,-2.39,;-10.75,-2.39,;-8.44,-3.72,)|

BDBM585839

C[C@H]1C[C@@H](C)CN(Cc2cc(nc(c2)C(=O)Nc2cccc(c2)[C@@]2(Cc3nncn3C)C[C@@H](C2)C#N)C2CC2)C1 |r,wU:32.37,wD:23.24,1.0,3.3,(-9.64,4.14,;-8.87,2.81,;-9.64,1.47,;-8.87,.14,;-9.64,-1.2,;-7.33,.14,;-6.56,1.47,;-5.02,1.47,;-4.28,.14,;-5.05,-1.19,;-4.28,-2.53,;-2.74,-2.53,;-1.97,-1.19,;-2.74,.14,;-.43,-1.19,;.34,.14,;.34,-2.53,;1.88,-2.53,;2.65,-3.86,;4.19,-3.86,;4.96,-2.53,;4.19,-1.19,;2.65,-1.19,;4.96,.14,;5.73,-1.19,;7.27,-1.19,;8.17,.05,;9.64,-.42,;9.64,-1.96,;8.17,-2.44,;7.7,-3.9,;6.05,1.23,;4.96,2.32,;3.87,1.23,;4.96,3.86,;4.96,5.4,;-5.05,-3.86,;-6.39,-4.63,;-5.05,-5.4,;-7.33,2.81,)|

BDBM575682

C[C@H]1C[C@@H](C)CN(Cc2cc3C(=O)N(Cc3c(c2)C(F)(F)F)c2cccc(c2)-c2c(cnn2C)-c2nncn2C)C1 |r|

BDBM575633

C[C@H]1C[C@@H](C)CN(Cc2cc3C(=O)N(Cc3c(c2)C(F)(F)F)c2cccc(c2)C2(Cc3nncn3C)COC2)C1 |r|

BDBM585803

C[C@H]1C[C@@H](C)CN(Cc2cc3C(=O)N(Cc3c(c2)C(F)(F)F)c2cccc(c2)[C@@]2(Cc3nncn3C)C[C@@H](C2)C#N)C1 |r,wU:37.43,wD:28.30,1.0,3.3,(-10.75,-2.39,;-9.21,-2.39,;-8.44,-3.72,;-6.9,-3.72,;-6.5,-5.21,;-6.13,-2.39,;-6.9,-1.06,;-6.13,.28,;-4.59,.28,;-3.82,1.61,;-2.28,1.61,;-1.25,2.76,;-1.57,4.26,;.16,2.13,;-0,.6,;-1.51,.28,;-2.28,-1.06,;-3.82,-1.06,;-1.51,-2.39,;-2.28,-3.72,;.03,-2.39,;-.74,-3.72,;1.49,2.9,;1.49,4.44,;2.82,5.21,;4.16,4.44,;4.16,2.9,;2.82,2.13,;5.49,2.13,;4.16,1.36,;4.16,-.18,;2.91,-1.09,;3.39,-2.55,;4.93,-2.55,;5.4,-1.09,;6.87,-.61,;6.58,1.04,;7.67,2.13,;6.58,3.22,;9.21,2.13,;10.75,2.13,;-8.44,-1.06,)|

BDBM575660

C[C@H]1C[C@@H](CO)CN(Cc2cc3C(=O)N(Cc3c(c2)C(F)(F)F)c2cccc(c2)C2(Cc3nncn3C)COC2)C1 |r|

BDBM575659

C[C@H]1C[C@H](CO)CN(Cc2cc3C(=O)N(Cc3c(c2)C(F)(F)F)c2cccc(c2)C2(Cc3nncn3C)COC2)C1 |r|

BDBM585844

Cc1cc(nc(n1)C1CC1)C(=O)Nc1cccc(c1)C1(Cc2nncn2C)COC1

BDBM585773

Cc1cc(nc(n1)C1CC1)C(=O)Nc1cccc(c1)[C@@]1(Cc2nncn2C)C[C@@H](C1)C#N |r,wU:28.34,wD:19.21,(-8.63,1.82,;-7.3,1.05,;-5.96,1.82,;-4.63,1.05,;-4.63,-.49,;-5.96,-1.26,;-7.3,-.49,;-5.96,-2.8,;-6.73,-4.13,;-5.19,-4.13,;-3.3,1.82,;-3.3,3.36,;-1.96,1.05,;-.63,1.82,;-.63,3.36,;.71,4.13,;2.04,3.36,;2.04,1.82,;.71,1.05,;3.37,1.05,;2.04,.28,;2.04,-1.26,;.79,-2.16,;1.27,-3.63,;2.81,-3.63,;3.28,-2.16,;4.75,-1.69,;4.46,-.04,;5.55,1.05,;4.46,2.14,;7.09,1.05,;8.63,1.05,)|

BDBM585794

Cc1cc(nc(n1)C1CC1)C(=O)Nc1cccc(c1)[C@@]1(Cc2nncn2C)C[C@](C)(C1)C#N |r,wU:28.32,wD:19.21,28.35,(-8.63,1.82,;-7.3,1.05,;-5.96,1.82,;-4.63,1.05,;-4.63,-.49,;-5.96,-1.26,;-7.3,-.49,;-5.96,-2.8,;-6.73,-4.13,;-5.19,-4.13,;-3.3,1.82,;-3.3,3.36,;-1.96,1.05,;-.63,1.82,;-.63,3.36,;.71,4.13,;2.04,3.36,;2.04,1.82,;.71,1.05,;3.37,1.05,;2.04,.28,;2.04,-1.26,;.79,-2.16,;1.27,-3.63,;2.81,-3.63,;3.28,-2.16,;4.75,-1.69,;4.46,-.04,;5.55,1.05,;6.64,-.04,;4.46,2.14,;7.09,1.05,;8.63,1.05,)|

BDBM585786

Cc1cc(nc(n1)C1CC1)C(=O)Nc1cccc(c1)[C@]1(Cc2nncn2C)C[C@@H](C1)C#N |r,wD:19.21,28.34,(-8.63,1.82,;-7.3,1.05,;-5.96,1.82,;-4.63,1.05,;-4.63,-.49,;-5.96,-1.26,;-7.3,-.49,;-5.96,-2.8,;-6.73,-4.13,;-5.19,-4.13,;-3.3,1.82,;-3.3,3.36,;-1.96,1.05,;-.63,1.82,;-.63,3.36,;.71,4.13,;2.04,3.36,;2.04,1.82,;.71,1.05,;3.37,1.05,;2.04,.28,;2.04,-1.26,;.79,-2.16,;1.27,-3.63,;2.81,-3.63,;3.28,-2.16,;4.75,-1.69,;4.46,2.14,;5.55,1.05,;4.46,-.04,;7.09,1.05,;8.63,1.05,)|

BDBM585793

Cc1cc(nc(n1)C1CC1)C(=O)Nc1cccc(c1)[C@]1(Cc2nncn2C)C[C@](C)(C1)C#N |r,wU:28.35,wD:19.21,28.32,(-8.42,1.82,;-7.09,1.05,;-5.76,1.82,;-4.42,1.05,;-4.42,-.49,;-5.76,-1.26,;-7.09,-.49,;-5.76,-2.8,;-6.53,-4.13,;-4.99,-4.13,;-3.09,1.82,;-3.09,3.36,;-1.76,1.05,;-.42,1.82,;-.42,3.36,;.91,4.13,;2.25,3.36,;2.25,1.82,;.91,1.05,;3.58,1.05,;2.25,.28,;2.25,-1.26,;1,-2.16,;1.48,-3.63,;3.02,-3.63,;3.49,-2.16,;4.96,-1.69,;4.67,2.14,;5.76,1.05,;7.09,1.82,;4.67,-.04,;7.09,.28,;8.42,-.49,)|

BDBM575652

Cn1cnnc1CC1(COC1)c1cccc(c1)N1Cc2c(cc(CN3CC(C[C@@H](C3)C(F)(F)F)C(F)(F)F)cc2C(F)(F)F)C1=O |r|

BDBM575642

Cn1cnnc1CC1(COC1)c1cccc(c1)N1Cc2c(cc(CN3CCC(F)(F)[C@@H](C3)C#N)cc2C(F)(F)F)C1=O |r|

BDBM575647

Cn1cnnc1CC1(COC1)c1cccc(c1)N1Cc2c(cc(CN3CCC(F)(F)[C@@H](CO)C3)cc2C(F)(F)F)C1=O |r|

BDBM575645

Cn1cnnc1CC1(COC1)c1cccc(c1)N1Cc2c(cc(CN3CCC(F)(F)[C@@]4(CCOC4)C3)cc2C(F)(F)F)C1=O |r|

BDBM575641

Cn1cnnc1CC1(COC1)c1cccc(c1)N1Cc2c(cc(CN3CCC(F)(F)[C@H](C3)C#N)cc2C(F)(F)F)C1=O |r|

BDBM575646

Cn1cnnc1CC1(COC1)c1cccc(c1)N1Cc2c(cc(CN3CCC(F)(F)[C@H](CO)C3)cc2C(F)(F)F)C1=O |r|

BDBM575644

Cn1cnnc1CC1(COC1)c1cccc(c1)N1Cc2c(cc(CN3CCC(F)(F)[C@]4(CCOC4)C3)cc2C(F)(F)F)C1=O |r|

BDBM575635

Cn1cnnc1CC1(COC1)c1cccc(c1)N1Cc2c(cc(CN3CCCC(CC#N)C3)cc2C(F)(F)F)C1=O

BDBM575638

Cn1cnnc1CC1(COC1)c1cccc(c1)N1Cc2c(cc(CN3CCCC4(CC4)C3)cc2C(F)(F)F)C1=O

BDBM575643

Cn1cnnc1CC1(COC1)c1cccc(c1)N1Cc2c(cc(CN3CCCC4(COC4)C3)cc2C(F)(F)F)C1=O

BDBM575649

Cn1cnnc1CC1(COC1)c1cccc(c1)N1Cc2c(cc(CN3CCC[C@@H](C3)C#N)cc2C(F)(F)F)C1=O |r|

BDBM575637

Cn1cnnc1CC1(COC1)c1cccc(c1)N1Cc2c(cc(CN3CCC[C@@](C)(F)C3)cc2C(F)(F)F)C1=O |r|

BDBM575636

Cn1cnnc1CC1(COC1)c1cccc(c1)N1Cc2c(cc(CN3CCC[C@](C)(F)C3)cc2C(F)(F)F)C1=O |r|

BDBM575651

Cn1cnnc1CC1(COC1)c1cccc(c1)N1Cc2c(cc(CN3C[C@H](C[C@@H](C3)C(F)(F)F)C(F)(F)F)cc2C(F)(F)F)C1=O |r|

BDBM585838

Cn1cnnc1C[C@@]1(C[C@@H](C1)C#N)c1cccc(NC(=O)c2cc(CN3CCC4(CC4)C3)cc(n2)C2CC2)c1 |r,wU:9.12,wD:7.14,(8.11,-3.9,;8.58,-2.44,;10.05,-1.96,;10.05,-.42,;8.58,.05,;7.68,-1.19,;6.14,-1.19,;5.37,.14,;6.46,1.23,;5.37,2.32,;4.28,1.23,;5.37,3.86,;5.37,5.4,;4.6,-1.19,;5.37,-2.53,;4.6,-3.86,;3.06,-3.86,;2.29,-2.53,;.75,-2.53,;-.02,-1.19,;.75,.14,;-1.56,-1.19,;-2.33,.14,;-3.87,.14,;-4.61,1.47,;-6.15,1.47,;-7.05,.23,;-8.52,.7,;-8.52,2.24,;-9.14,3.65,;-10.05,2.4,;-7.05,2.72,;-4.64,-1.19,;-3.87,-2.53,;-2.33,-2.53,;-4.64,-3.86,;-5.98,-4.63,;-4.64,-5.4,;3.06,-1.19,)|

BDBM585832

Cn1cnnc1C[C@@]1(C[C@@H](C1)C#N)c1cccc(c1)N1Cc2c(cc(CN3CC4CCC(F)(F)C4C3)cc2C(F)(F)F)C1=O |r,wU:9.12,wD:7.14,(7.19,-.63,;5.72,-1.11,;5.25,-2.57,;3.71,-2.57,;3.23,-1.11,;4.48,-.2,;4.48,1.34,;5.81,2.11,;6.9,1.02,;7.99,2.11,;6.9,3.19,;9.53,2.11,;11.07,2.11,;4.48,2.88,;4.48,4.42,;3.14,5.19,;1.81,4.42,;1.81,2.88,;3.14,2.11,;.47,2.11,;.31,.57,;-1.19,.25,;-1.96,1.59,;-3.5,1.59,;-4.27,.25,;-5.81,.25,;-6.58,-1.08,;-5.96,-2.49,;-7.1,-3.52,;-7.42,-5.02,;-8.95,-5.19,;-9.58,-3.78,;-11.07,-4.18,;-10.35,-2.44,;-8.43,-2.75,;-8.11,-1.24,;-3.5,-1.08,;-1.96,-1.08,;-1.19,-2.41,;-1.96,-3.75,;.35,-2.41,;-.42,-3.75,;-.93,2.73,;-1.25,4.24,)|

BDBM585823

Cn1cnnc1C[C@@]1(C[C@@H](C1)C#N)c1cccc(c1)N1Cc2c(cc(CN3CC4COC(C4)C3)cc2C(F)(F)F)C1=O |r,wU:9.12,wD:7.14,(6.19,-1,;4.73,-1.48,;4.25,-2.94,;2.71,-2.94,;2.24,-1.48,;3.48,-.57,;3.48,.97,;4.82,1.74,;5.91,.65,;6.99,1.74,;5.91,2.83,;8.53,1.74,;10.07,1.74,;3.48,2.51,;3.48,4.05,;2.15,4.82,;.82,4.05,;.82,2.51,;2.15,1.74,;-.52,1.74,;-.68,.21,;-2.18,-.11,;-2.95,1.22,;-4.49,1.22,;-5.26,-.11,;-6.8,-.11,;-7.57,-1.45,;-9.11,-1.45,;-10.07,-2.65,;-9.73,-4.15,;-8.34,-4.82,;-6.96,-4.15,;-8.05,-2.65,;-6.61,-2.65,;-4.49,-1.45,;-2.95,-1.45,;-2.18,-2.78,;-2.95,-4.11,;-.64,-2.78,;-1.41,-4.11,;-1.92,2.37,;-2.24,3.87,)|

BDBM585789

Cn1cnnc1C[C@@]1(C[C@@H](C1)C#N)c1cccc(c1)N1Cc2c(cc(CN3CCC4(CC4)C3)cc2C(F)(F)F)C1=O |r,wU:9.12,wD:7.14,(6.71,-1.35,;5.24,-1.83,;4.76,-3.29,;3.22,-3.29,;2.75,-1.83,;3.99,-.92,;3.99,.62,;5.33,1.39,;6.42,.3,;7.51,1.39,;6.42,2.48,;9.05,1.39,;10.59,1.39,;3.99,2.16,;3.99,3.7,;2.66,4.47,;1.33,3.7,;1.33,2.16,;2.66,1.39,;-.01,1.39,;-.17,-.15,;-1.67,-.47,;-2.44,.87,;-3.98,.87,;-4.75,-.47,;-6.29,-.47,;-7.06,-1.8,;-6.59,-3.26,;-7.83,-4.17,;-9.08,-3.26,;-10.59,-2.94,;-10.11,-4.41,;-8.6,-1.8,;-3.98,-1.8,;-2.44,-1.8,;-1.67,-3.13,;-2.44,-4.47,;-.13,-3.13,;-.9,-4.47,;-1.41,2.01,;-1.73,3.52,)|

BDBM585812

Cn1cnnc1C[C@@]1(C[C@@H](C1)C#N)c1cccc(c1)N1Cc2c(cc(CN3CCC4C(C3)C4(F)F)cc2C(F)(F)F)C1=O |r,wU:9.12,wD:7.14,(6.1,-.14,;4.63,-.62,;4.16,-2.08,;2.62,-2.08,;2.14,-.62,;3.39,.29,;3.39,1.83,;4.72,2.6,;5.81,1.51,;6.9,2.6,;5.81,3.69,;8.44,2.6,;9.98,2.6,;3.39,3.37,;3.39,4.91,;2.05,5.68,;.72,4.91,;.72,3.37,;2.05,2.6,;-.61,2.6,;-.77,1.07,;-2.28,.75,;-3.05,2.08,;-4.59,2.08,;-5.36,.75,;-6.9,.75,;-7.67,-.59,;-9.21,-.59,;-9.98,-1.92,;-9.21,-3.26,;-7.67,-3.26,;-6.9,-1.92,;-8.44,-4.59,;-9.53,-5.68,;-7.35,-5.68,;-4.59,-.59,;-3.05,-.59,;-2.28,-1.92,;-3.05,-3.26,;-.74,-1.92,;-1.51,-3.26,;-2.02,3.22,;-2.34,4.73,)|

BDBM585822

Cn1cnnc1C[C@@]1(C[C@@H](C1)C#N)c1cccc(c1)N1Cc2c(cc(CN3CCC4CCC(C3)O4)cc2C(F)(F)F)C1=O |r,wU:9.12,wD:7.14,(6.24,-.57,;4.77,-1.05,;4.3,-2.51,;2.76,-2.51,;2.28,-1.05,;3.53,-.14,;3.53,1.4,;4.86,2.17,;5.95,1.08,;7.04,2.17,;5.95,3.26,;8.58,2.17,;10.12,2.17,;3.53,2.94,;3.53,4.48,;2.19,5.25,;.86,4.48,;.86,2.94,;2.19,2.17,;-.48,2.17,;-.64,.64,;-2.14,.32,;-2.91,1.65,;-4.45,1.65,;-5.22,.32,;-6.76,.32,;-7.53,-1.02,;-9.07,-.9,;-10.12,-2.03,;-9.89,-3.55,;-9.89,-5.09,;-7.52,-5.25,;-7.12,-3.76,;-6.67,-2.29,;-8.55,-4.32,;-4.45,-1.02,;-2.91,-1.02,;-2.14,-2.35,;-2.91,-3.68,;-.6,-2.35,;-1.37,-3.68,;-1.88,2.79,;-2.2,4.3,)|

BDBM585802

Cn1cnnc1C[C@@]1(C[C@@H](C1)C#N)c1cccc(c1)N1Cc2c(cc(CN3CCCC(F)(F)CC3)cc2C(F)(F)F)C1=O |r,wU:9.12,wD:7.14,(6.77,-.55,;5.31,-1.03,;4.83,-2.49,;3.29,-2.49,;2.81,-1.03,;4.06,-.12,;4.06,1.42,;5.39,2.19,;6.48,1.1,;7.57,2.19,;6.48,3.28,;9.11,2.19,;10.65,2.19,;4.06,2.96,;4.06,4.5,;2.73,5.27,;1.39,4.5,;1.39,2.96,;2.73,2.19,;.06,2.19,;-.1,.66,;-1.61,.34,;-2.38,1.67,;-3.92,1.67,;-4.69,.34,;-6.23,.34,;-7,-1,;-6.01,-2.21,;-6.36,-3.73,;-7.76,-4.41,;-9.16,-3.73,;-9.16,-5.27,;-10.65,-4.13,;-9.51,-2.21,;-8.54,-1,;-3.92,-1,;-2.38,-1,;-1.61,-2.33,;-2.38,-3.66,;-.07,-2.33,;-.84,-3.66,;-1.35,2.82,;-1.67,4.32,)|

BDBM585811

Cn1cnnc1C[C@@]1(C[C@@H](C1)C#N)c1cccc(c1)N1Cc2c(cc(CN3CCCCC(C)(F)C3)cc2C(F)(F)F)C1=O |r,wU:9.12,wD:7.14,(6.98,-1.03,;5.51,-1.51,;5.04,-2.97,;3.5,-2.97,;3.02,-1.51,;4.27,-.6,;4.27,.94,;5.6,1.71,;6.69,.62,;7.78,1.71,;6.69,2.79,;9.32,1.71,;10.86,1.71,;4.27,2.48,;4.27,4.02,;2.94,4.79,;1.6,4.02,;1.6,2.48,;2.94,1.71,;.27,1.71,;.11,.17,;-1.4,-.15,;-2.17,1.19,;-3.71,1.19,;-4.48,-.15,;-6.02,-.15,;-6.79,-1.48,;-5.92,-2.75,;-6.38,-4.22,;-7.81,-4.79,;-9.14,-4.02,;-9.37,-2.49,;-10.86,-2.89,;-10.46,-1.4,;-8.33,-1.36,;-3.71,-1.48,;-2.17,-1.48,;-1.4,-2.81,;-2.17,-4.15,;.14,-2.81,;-.63,-4.15,;-1.14,2.33,;-1.46,3.84,)|

BDBM585833

Cn1cnnc1C[C@@]1(C[C@@H](C1)C#N)c1cccc(c1)N1Cc2c(cc(CN3CCCCC(CO)C3)cc2C(F)(F)F)C1=O |r,wU:9.12,wD:7.14,(7.48,-1,;6.01,-1.48,;5.54,-2.94,;4,-2.94,;3.52,-1.48,;4.77,-.57,;4.77,.97,;6.1,1.74,;7.19,.65,;8.28,1.74,;7.19,2.83,;9.82,1.74,;11.36,1.74,;4.77,2.51,;4.77,4.05,;3.43,4.82,;2.1,4.05,;2.1,2.51,;3.43,1.74,;.77,1.74,;.6,.2,;-.9,-.12,;-1.67,1.22,;-3.21,1.22,;-3.98,-.12,;-5.52,-.12,;-6.29,-1.45,;-5.34,-2.66,;-5.7,-4.16,;-7.09,-4.82,;-8.47,-4.14,;-8.8,-2.63,;-10.3,-2.28,;-11.36,-3.4,;-7.83,-1.44,;-3.21,-1.45,;-1.67,-1.45,;-.9,-2.78,;-1.67,-4.12,;.64,-2.78,;-.13,-4.12,;-.64,2.36,;-.96,3.87,)|

BDBM585835

Cn1cnnc1C[C@@]1(C[C@@H](C1)C#N)c1cccc(c1)N1Cc2c(cc(CN3CCCCC(F)(F)C3)cc2C(F)(F)F)C1=O |r,wU:9.12,wD:7.14,(6.97,-.08,;5.56,-.7,;5.23,-2.2,;3.7,-2.35,;3.08,-.94,;4.23,.08,;4.08,1.61,;5.33,2.51,;6.52,1.53,;7.49,2.72,;6.3,3.7,;9.03,2.88,;10.56,3.03,;3.92,3.14,;3.77,4.68,;2.37,5.31,;1.12,4.41,;1.27,2.88,;2.67,2.25,;.02,1.98,;.01,.44,;-1.46,-.02,;-2.36,1.23,;-3.89,1.08,;-4.52,-.33,;-6.06,-.48,;-6.69,-1.88,;-5.63,-2.99,;-5.83,-4.52,;-7.15,-5.31,;-8.59,-4.77,;-9.07,-3.31,;-10.16,-2.22,;-10.56,-3.71,;-8.22,-2.02,;-3.63,-1.58,;-2.09,-1.43,;-1.2,-2.68,;-1.83,-4.08,;.34,-2.53,;-.3,-3.93,;-1.44,2.47,;-1.91,3.94,)|

BDBM585826

Cn1cnnc1C[C@@]1(C[C@@H](C1)C#N)c1cccc(c1)N1Cc2c(cc(CN3CCCOC(CO)C3)cc2C(F)(F)F)C1=O |r,wU:9.12,wD:7.14,(6.19,-.09,;4.73,-.57,;4.25,-2.03,;2.71,-2.03,;2.24,-.57,;3.48,.34,;3.48,1.88,;4.82,2.65,;5.91,1.56,;6.99,2.65,;5.91,3.74,;8.53,2.65,;10.07,2.65,;3.48,3.42,;3.48,4.96,;2.15,5.73,;.82,4.96,;.82,3.42,;2.15,2.65,;-.52,2.65,;-.68,1.12,;-2.18,.8,;-2.95,2.13,;-4.49,2.13,;-5.26,.8,;-6.8,.8,;-7.57,-.54,;-9.11,-.54,;-10.07,-1.74,;-9.73,-3.24,;-8.34,-3.91,;-6.96,-3.24,;-5.75,-4.2,;-5.98,-5.73,;-6.61,-1.74,;-4.49,-.54,;-2.95,-.54,;-2.18,-1.87,;-2.95,-3.21,;-.64,-1.87,;-1.41,-3.21,;-1.92,3.27,;-2.24,4.78,)|

BDBM585814

Cn1cnnc1C[C@@]1(C[C@@H](C1)C#N)c1cccc(c1)N1Cc2c(cc(CN3CCCOCC3)cc2C(F)(F)F)C1=O |r,wU:9.12,wD:7.14,(6.19,-1,;4.73,-1.48,;4.25,-2.94,;2.71,-2.94,;2.24,-1.48,;3.48,-.57,;3.48,.97,;4.82,1.74,;5.91,.65,;6.99,1.74,;5.91,2.83,;8.53,1.74,;10.07,1.74,;3.48,2.51,;3.48,4.05,;2.15,4.82,;.82,4.05,;.82,2.51,;2.15,1.74,;-.52,1.74,;-.68,.21,;-2.18,-.11,;-2.95,1.22,;-4.49,1.22,;-5.26,-.11,;-6.8,-.11,;-7.57,-1.45,;-9.11,-1.45,;-10.07,-2.65,;-9.73,-4.15,;-8.34,-4.82,;-6.96,-4.15,;-6.61,-2.65,;-4.49,-1.45,;-2.95,-1.45,;-2.18,-2.78,;-2.95,-4.11,;-.64,-2.78,;-1.41,-4.11,;-1.92,2.37,;-2.24,3.87,)|

BDBM585799

Cn1cnnc1C[C@@]1(C[C@@H](C1)C#N)c1cccc(c1)N1Cc2c(cc(CN3CCC[C@@H](C3)C(F)(F)F)cc2C(F)(F)F)C1=O |r,wU:9.12,wD:7.14,30.35,(7.64,-1.35,;6.17,-1.83,;5.7,-3.29,;4.16,-3.29,;3.68,-1.83,;4.93,-.92,;4.93,.62,;6.26,1.39,;7.35,.3,;8.44,1.39,;7.35,2.48,;9.98,1.39,;11.52,1.39,;4.93,2.16,;4.93,3.7,;3.59,4.47,;2.26,3.7,;2.26,2.16,;3.59,1.39,;.93,1.39,;.77,-.15,;-.74,-.47,;-1.51,.87,;-3.05,.87,;-3.82,-.47,;-5.36,-.47,;-6.13,-1.8,;-5.36,-3.13,;-6.13,-4.47,;-7.67,-4.47,;-8.44,-3.13,;-7.67,-1.8,;-9.98,-3.13,;-10.75,-4.47,;-10.75,-1.8,;-11.52,-3.13,;-3.05,-1.8,;-1.51,-1.8,;-.74,-3.13,;-1.51,-4.47,;.8,-3.13,;.03,-4.47,;-.48,2.01,;-.8,3.52,)|

BDBM585834

Cn1cnnc1C[C@@]1(C[C@@H](C1)C#N)c1cccc(c1)N1Cc2c(cc(CN3CCC[C@@H](C3)C(F)(F)F)nc2C2CC2)C1=O |r,wU:9.12,wD:7.14,30.35,(6.86,-1.25,;5.4,-1.73,;4.92,-3.19,;3.38,-3.19,;2.9,-1.73,;4.15,-.82,;4.15,.72,;5.48,1.49,;6.57,.4,;7.66,1.49,;6.57,2.58,;9.2,1.49,;10.74,1.49,;4.15,2.26,;4.15,3.8,;2.82,4.57,;1.48,3.8,;1.48,2.26,;2.82,1.49,;.15,1.49,;-.01,-.04,;-1.52,-.36,;-2.29,.97,;-3.83,.97,;-4.6,-.36,;-6.14,-.36,;-6.91,-1.7,;-6.12,-3.03,;-6.89,-4.36,;-8.43,-4.36,;-9.2,-3.03,;-8.43,-1.7,;-10.74,-3.03,;-11.51,-1.7,;-11.51,-4.36,;-12.28,-3.03,;-3.83,-1.7,;-2.29,-1.7,;-1.52,-3.03,;-1.52,-4.57,;-.18,-3.8,;-1.26,2.12,;-1.58,3.62,)|

BDBM585829

Cn1cnnc1C[C@@]1(C[C@@H](C1)C#N)c1cccc(c1)N1Cc2c(cc(CN3CCOCC(CO)C3)cc2C(F)(F)F)C1=O |r,wU:9.12,wD:7.14,(7.48,-1,;6.01,-1.48,;5.54,-2.94,;4,-2.94,;3.52,-1.48,;4.77,-.57,;4.77,.97,;6.1,1.74,;7.19,.65,;8.28,1.74,;7.19,2.83,;9.82,1.74,;11.36,1.74,;4.77,2.51,;4.77,4.05,;3.43,4.82,;2.1,4.05,;2.1,2.51,;3.43,1.74,;.77,1.74,;.6,.2,;-.9,-.12,;-1.67,1.22,;-3.21,1.22,;-3.98,-.12,;-5.52,-.12,;-6.29,-1.45,;-5.34,-2.66,;-5.7,-4.16,;-7.09,-4.82,;-8.47,-4.14,;-8.8,-2.63,;-10.3,-2.28,;-11.36,-3.4,;-7.83,-1.44,;-3.21,-1.45,;-1.67,-1.45,;-.9,-2.78,;-1.67,-4.12,;.64,-2.78,;-.13,-4.12,;-.64,2.36,;-.96,3.87,)|

BDBM585815

Cn1cnnc1C[C@@]1(C[C@@H](C1)C#N)c1cccc(c1)N1Cc2c(cc(CN3CCOCC4(CC4)C3)cc2C(F)(F)F)C1=O |r,wU:9.12,wD:7.14,(6.99,-1.03,;5.52,-1.51,;5.05,-2.97,;3.51,-2.97,;3.03,-1.51,;4.28,-.6,;4.28,.94,;5.61,1.71,;6.7,.62,;7.79,1.71,;6.7,2.79,;9.33,1.71,;10.87,1.71,;4.28,2.48,;4.28,4.02,;2.94,4.79,;1.61,4.02,;1.61,2.48,;2.94,1.71,;.27,1.71,;.11,.17,;-1.39,-.15,;-2.16,1.19,;-3.7,1.19,;-4.47,-.15,;-6.01,-.15,;-6.78,-1.48,;-5.92,-2.75,;-6.37,-4.22,;-7.8,-4.79,;-9.14,-4.02,;-9.37,-2.49,;-10.41,-1.36,;-10.87,-2.84,;-8.32,-1.36,;-3.7,-1.48,;-2.16,-1.48,;-1.39,-2.81,;-2.16,-4.15,;.15,-2.81,;-.62,-4.15,;-1.13,2.33,;-1.45,3.84,)|

BDBM585801

Cn1cnnc1C[C@@]1(C[C@@H](C1)C#N)c1cccc(c1)N1Cc2c(cc(CN3CCO[C@@H](C3)C(F)(F)F)cc2C(F)(F)F)C1=O |r,wU:9.12,wD:7.14,30.35,(7.64,-1.35,;6.17,-1.83,;5.7,-3.29,;4.16,-3.29,;3.68,-1.83,;4.93,-.92,;4.93,.62,;6.26,1.39,;7.35,.3,;8.44,1.39,;7.35,2.48,;9.98,1.39,;11.52,1.39,;4.93,2.16,;4.93,3.7,;3.59,4.47,;2.26,3.7,;2.26,2.16,;3.59,1.39,;.93,1.39,;.77,-.15,;-.74,-.47,;-1.51,.87,;-3.05,.87,;-3.82,-.47,;-5.36,-.47,;-6.13,-1.8,;-5.36,-3.13,;-6.13,-4.47,;-7.67,-4.47,;-8.44,-3.13,;-7.67,-1.8,;-9.98,-3.13,;-10.75,-4.47,;-10.75,-1.8,;-11.52,-3.13,;-3.05,-1.8,;-1.51,-1.8,;-.74,-3.13,;-1.51,-4.47,;.8,-3.13,;.03,-4.47,;-.48,2.01,;-.8,3.52,)|

BDBM585813

Cn1cnnc1C[C@@]1(C[C@@H](C1)C#N)c1cccc(c1)N1Cc2c(cc(CN3CCc4ncccc4C3)cc2C(F)(F)F)C1=O |r,wU:9.12,wD:7.14,(7.25,-.69,;5.79,-1.16,;5.31,-2.63,;3.77,-2.63,;3.3,-1.16,;4.54,-.26,;4.54,1.28,;5.88,2.05,;6.97,.96,;8.06,2.05,;6.97,3.14,;9.6,2.05,;11.14,2.05,;4.54,2.82,;4.54,4.36,;3.21,5.13,;1.88,4.36,;1.88,2.82,;3.21,2.05,;.54,2.05,;.38,.52,;-1.13,.2,;-1.9,1.54,;-3.44,1.54,;-4.21,.2,;-5.75,.2,;-6.52,-1.13,;-5.75,-2.47,;-6.52,-3.8,;-8.06,-3.8,;-8.83,-5.13,;-10.37,-5.13,;-11.14,-3.8,;-10.37,-2.47,;-8.83,-2.47,;-8.06,-1.13,;-3.44,-1.13,;-1.9,-1.13,;-1.13,-2.47,;-1.9,-3.8,;.41,-2.47,;-.36,-3.8,;-.86,2.68,;-1.18,4.19,)|

BDBM585808

Cn1cnnc1C[C@@]1(C[C@@H](C1)C#N)c1cccc(c1)N1Cc2c(cc(CNC3CC4(CC4(F)F)C3)cc2C(F)(F)F)C1=O |r,wU:9.12,wD:7.14,(8.14,-1.35,;6.67,-1.83,;6.2,-3.29,;4.66,-3.29,;4.18,-1.83,;5.43,-.92,;5.43,.62,;6.76,1.39,;7.85,.3,;8.94,1.39,;7.85,2.48,;10.48,1.39,;12.02,1.39,;5.43,2.16,;5.43,3.7,;4.09,4.47,;2.76,3.7,;2.76,2.16,;4.09,1.39,;1.43,1.39,;1.26,-.15,;-.24,-.47,;-1.01,.87,;-2.55,.87,;-3.32,-.47,;-4.86,-.47,;-5.63,-1.8,;-7.17,-1.8,;-8.26,-.71,;-9.35,-1.8,;-10.68,-2.57,;-10.68,-1.03,;-10.29,.46,;-12.02,-.26,;-8.26,-2.89,;-2.55,-1.8,;-1.01,-1.8,;-.24,-3.13,;-1.01,-4.47,;1.3,-3.13,;.53,-4.47,;.02,2.01,;-.3,3.52,)|

BDBM585797

Cn1cnnc1C[C@@]1(C[C@@H](C1)C#N)c1cccc(c1)N1Cc2c(cc(CNC3CC4C(C3)C4(F)F)cc2C(F)(F)F)C1=O |r,wU:9.12,wD:7.14,(8.23,-1.35,;6.77,-1.83,;6.29,-3.29,;4.75,-3.29,;4.28,-1.83,;5.52,-.92,;5.52,.62,;6.86,1.39,;7.94,.3,;9.03,1.39,;7.94,2.48,;10.57,1.39,;12.11,1.39,;5.52,2.16,;5.52,3.7,;4.19,4.47,;2.85,3.7,;2.85,2.16,;4.19,1.39,;1.52,1.39,;1.36,-.15,;-.15,-.47,;-.92,.87,;-2.46,.87,;-3.23,-.47,;-4.77,-.47,;-5.54,-1.8,;-7.08,-1.8,;-7.98,-.55,;-9.45,-1.03,;-9.45,-2.57,;-7.98,-3.04,;-10.78,-1.8,;-12.11,-1.03,;-12.11,-2.57,;-2.46,-1.8,;-.92,-1.8,;-.15,-3.13,;-.92,-4.47,;1.39,-3.13,;.62,-4.47,;.11,2.01,;-.21,3.52,)|

BDBM585816

Cn1cnnc1C[C@@]1(C[C@@H](C1)C#N)c1cccc(c1)N1Cc2c(cc(CNC3CCC(C)(C)C3)cc2C(F)(F)F)C1=O |r,wU:9.12,wD:7.14,(7.67,-1.35,;6.2,-1.83,;5.73,-3.29,;4.19,-3.29,;3.71,-1.83,;4.96,-.92,;4.96,.62,;6.29,1.39,;7.38,.3,;8.47,1.39,;7.38,2.48,;10.01,1.39,;11.55,1.39,;4.96,2.16,;4.96,3.7,;3.62,4.47,;2.29,3.7,;2.29,2.16,;3.62,1.39,;.96,1.39,;.8,-.15,;-.71,-.47,;-1.48,.87,;-3.02,.87,;-3.79,-.47,;-5.33,-.47,;-6.1,-1.8,;-7.64,-1.8,;-8.55,-.55,;-10.01,-1.03,;-10.01,-2.57,;-11.55,-2.57,;-10.01,-4.11,;-8.55,-3.04,;-3.02,-1.8,;-1.48,-1.8,;-.71,-3.13,;-1.48,-4.47,;.83,-3.13,;.06,-4.47,;-.45,2.01,;-.77,3.52,)|

BDBM585824

Cn1cnnc1C[C@@]1(C[C@@H](C1)C#N)c1cccc(c1)N1Cc2c(cc(CNC3CCC(F)(F)C3)nc2C2CC2)C1=O |r,wU:9.12,wD:7.14,(7.67,-1.25,;6.2,-1.73,;5.73,-3.19,;4.19,-3.19,;3.71,-1.73,;4.96,-.82,;4.96,.72,;6.29,1.49,;7.38,.4,;8.47,1.49,;7.38,2.58,;10.01,1.49,;11.55,1.49,;4.96,2.26,;4.96,3.8,;3.62,4.57,;2.29,3.8,;2.29,2.26,;3.62,1.49,;.96,1.49,;.8,-.04,;-.71,-.36,;-1.48,.97,;-3.02,.97,;-3.79,-.36,;-5.33,-.36,;-6.1,-1.7,;-7.64,-1.7,;-8.55,-.45,;-10.01,-.93,;-10.01,-2.47,;-11.55,-2.47,;-10.01,-4.01,;-8.55,-2.94,;-3.02,-1.7,;-1.48,-1.7,;-.71,-3.03,;-.71,-4.57,;.62,-3.8,;-.45,2.12,;-.77,3.62,)|

BDBM585809

Cn1cnnc1C[C@@]1(C[C@@H](C1)C#N)c1cccc(c1)N1Cc2c(cc(CNC3COC(C)(C)C3)cc2C(F)(F)F)C1=O |r,wU:9.12,wD:7.14,(7.6,-1.35,;6.13,-1.83,;5.66,-3.29,;4.12,-3.29,;3.64,-1.83,;4.89,-.92,;4.89,.62,;6.22,1.39,;7.31,.3,;8.4,1.39,;7.31,2.48,;9.94,1.39,;11.48,1.39,;4.89,2.16,;4.89,3.7,;3.55,4.47,;2.22,3.7,;2.22,2.16,;3.55,1.39,;.88,1.39,;.72,-.15,;-.78,-.47,;-1.55,.87,;-3.09,.87,;-3.86,-.47,;-5.4,-.47,;-6.17,-1.8,;-7.71,-1.8,;-8.74,-2.94,;-10.15,-2.32,;-9.99,-.79,;-9.99,.75,;-11.48,-.39,;-8.48,-.47,;-3.09,-1.8,;-1.55,-1.8,;-.78,-3.13,;-1.55,-4.47,;.76,-3.13,;-.01,-4.47,;-.52,2.01,;-.84,3.52,)|

BDBM585806

Cn1cnnc1C[C@@]1(C[C@@H](C1)C#N)c1cccc(c1)N1Cc2c(cc(CN[C@@H]3CCC(F)(F)C3)cc2C(F)(F)F)C1=O |r,wU:9.12,27.29,wD:7.14,(7.67,-1.35,;6.2,-1.83,;5.73,-3.29,;4.19,-3.29,;3.71,-1.83,;4.96,-.92,;4.96,.62,;6.29,1.39,;7.38,.3,;8.47,1.39,;7.38,2.48,;10.01,1.39,;11.55,1.39,;4.96,2.16,;4.96,3.7,;3.62,4.47,;2.29,3.7,;2.29,2.16,;3.62,1.39,;.96,1.39,;.8,-.15,;-.71,-.47,;-1.48,.87,;-3.02,.87,;-3.79,-.47,;-5.33,-.47,;-6.1,-1.8,;-7.64,-1.8,;-8.55,-.55,;-10.01,-1.03,;-10.01,-2.57,;-11.55,-2.57,;-10.01,-4.11,;-8.55,-3.04,;-3.02,-1.8,;-1.48,-1.8,;-.71,-3.13,;-1.48,-4.47,;.83,-3.13,;.06,-4.47,;-.45,2.01,;-.77,3.52,)|

BDBM585805

Cn1cnnc1C[C@@]1(C[C@@H](C1)C#N)c1cccc(c1)N1Cc2c(cc(CN[C@H]3CCC(F)(F)C3)cc2C(F)(F)F)C1=O |r,wU:9.12,wD:7.14,27.29,(7.67,-1.35,;6.2,-1.83,;5.73,-3.29,;4.19,-3.29,;3.71,-1.83,;4.96,-.92,;4.96,.62,;6.29,1.39,;7.38,.3,;8.47,1.39,;7.38,2.48,;10.01,1.39,;11.55,1.39,;4.96,2.16,;4.96,3.7,;3.62,4.47,;2.29,3.7,;2.29,2.16,;3.62,1.39,;.96,1.39,;.8,-.15,;-.71,-.47,;-1.48,.87,;-3.02,.87,;-3.79,-.47,;-5.33,-.47,;-6.1,-1.8,;-7.64,-1.8,;-8.55,-.55,;-10.01,-1.03,;-10.01,-2.57,;-11.55,-2.57,;-10.01,-4.11,;-8.55,-3.04,;-3.02,-1.8,;-1.48,-1.8,;-.71,-3.13,;-1.48,-4.47,;.83,-3.13,;.06,-4.47,;-.45,2.01,;-.77,3.52,)|

BDBM585788

Cn1cnnc1C[C@@]1(C[C@@H](C1)C#N)c1cccc(c1)N1Cc2c(cccc2C(F)(F)F)C1=O |r,wU:9.12,wD:7.14,(3.79,-1.35,;2.32,-1.83,;1.85,-3.29,;.31,-3.29,;-.17,-1.83,;1.08,-.92,;1.08,.62,;2.41,1.39,;3.5,.3,;4.59,1.39,;3.5,2.48,;6.13,1.39,;7.67,1.39,;1.08,2.16,;1.08,3.7,;-.26,4.47,;-1.59,3.7,;-1.59,2.16,;-.26,1.39,;-2.92,1.39,;-3.08,-.15,;-4.59,-.47,;-5.36,.87,;-6.9,.87,;-7.67,-.47,;-6.9,-1.8,;-5.36,-1.8,;-4.59,-3.13,;-5.36,-4.47,;-3.05,-3.13,;-3.82,-4.47,;-4.33,2.01,;-4.65,3.52,)|