SMILES for Tyrosine-protein kinase TXK

575 SMILES Strings for Tyrosine-protein kinase TXK

Compound Name

SMILES String

BDBM357013

C(Nc1nc(nc2cccc(-c3ccccc3)c12)-c1cncnc1)c1ccccn1

BDBM384381

CC(C)(C)C=C(C#N)C(=O)N1CCC[C@@H]1Cn1c(NC(=O)c2ccc(s2)-c2cnco2)nc2cc(CO)ccc12 |r,w:4.3|

BDBM384394

CC(C)(C)C=C(C#N)C(=O)N1CCC[C@@H]1Cn1c(NC(=O)c2ccc(s2)-c2cnco2)nc2cc(CNCC3CC3)ccc12 |r,w:4.3|

BDBM384533

CC(C)(C)C=C(C#N)C(=O)N1CCC[C@@H]1Cn1c(NC(=O)c2ccc(s2)-c2cnco2)nc2cc(CN[C@H](CO)C(C)(C)C)ccc12 |r,w:4.3|

BDBM384534

CC(C)(C)C=C(C#N)C(=O)N1CCC[C@@H]1Cn1c(NC(=O)c2ccc(s2)-c2cnco2)nc2cc(CN[C@@H](CO)C(C)(C)C)ccc12 |r,w:4.3|

BDBM384535

CC(CO)NCc1ccc2n(C[C@H]3CCCN3C(=O)C(=CC(C)(C)C)C#N)c(NC(=O)c3ccc(s3)-c3cnco3)nc2c1 |r,w:20.21|

BDBM384536

C[C@H](CO)NCc1ccc2n(C[C@H]3CCCN3C(=O)C(=CC(C)(C)C)C#N)c(NC(=O)c3ccc(s3)-c3cnco3)nc2c1 |r,w:20.21|

BDBM384537

COCC(C)NCc1ccc2n(C[C@H]3CCCN3C(=O)C(=CC(C)(C)C)C#N)c(NC(=O)c3ccc(s3)-c3cnco3)nc2c1 |r,w:21.22|

BDBM384538

C=CC(=O)N1CCC[C@@H]1Cn1c(NC(=O)c2ccc(s2)-c2cnco2)nc2cc(CNCC3CC3)ccc12 |r|

BDBM384539

CC(C)(C)[C@@H](CO)NCc1ccc2n(C[C@H]3CCCN3C(=O)C=C)c(NC(=O)c3ccc(s3)-c3cnco3)nc2c1 |r|

BDBM384540

CC(C)(C)[C@H](CO)NCc1ccc2n(C[C@H]3CCCN3C(=O)C=C)c(NC(=O)c3ccc(s3)-c3cnco3)nc2c1 |r|

BDBM384541

C[C@@H](CO)NCc1ccc2n(C[C@H]3CCCN3C(=O)C=C)c(NC(=O)c3ccc(s3)-c3cnco3)nc2c1 |r|

BDBM384542

C[C@H](CO)NCc1ccc2n(C[C@H]3CCCN3C(=O)C=C)c(NC(=O)c3ccc(s3)-c3cnco3)nc2c1 |r|

BDBM384543

CC(C)(O)CNCc1ccc2n(C[C@H]3CCCN3C(=O)C=C)c(NC(=O)c3ccc(s3)-c3cnco3)nc2c1 |r|

BDBM384544

C[C@H](NCc1ccc2n(C[C@H]3CCCN3C(=O)C(=CC(C)(C)C)C#N)c(NC(=O)c3ccc(s3)-c3cnco3)nc2c1)C(C)(C)C |r,w:18.19|

BDBM1773

Nc1ncnc2n(nc(-c3ccc(Oc4ccccc4)cc3)c12)C1CCCN(C1)C(=O)C=C

BDBM394271

CC#CC(=O)N1CCC2(CC(C2)C2(CC=C(OC(C)C)C(N)=C2)NC(=O)c2cn[nH]c2)C1 |c:22,t:15,(9.7,.97,;8.29,.35,;6.88,-.28,;5.47,-.91,;5.31,-2.44,;4.23,,;4.23,1.54,;2.76,2.02,;1.86,.77,;.77,1.86,;-.32,.77,;.77,-.32,;-1.86,.77,;-1.59,-.75,;-2.77,-1.74,;-4.22,-1.21,;-5.4,-2.2,;-6.85,-1.67,;-8.02,-2.66,;-7.11,-.16,;-4.49,.31,;-5.93,.83,;-3.31,1.3,;-1.59,2.29,;-2.77,3.28,;-4.22,2.75,;-2.5,4.79,;-1.12,5.47,;-1.33,6.99,;-2.85,7.26,;-3.57,5.9,;2.76,-.48,)|

BDBM50161162

COCCOc1ccc(Nc2ncc(F)c(Nc3cccc(NC(=O)C=C)c3)n2)cc1

BDBM394211

CC#CC(=O)N1CC[C@@]2(C[C@@H](C2)n2nc(-c3cnn(Cc4cccc(Cl)c4)c3)c(C(N)=O)c2N)C1 |r,wU:10.12,wD:8.11,(2.6,-6.08,;1.06,-6.08,;-.48,-6.08,;-2.02,-6.08,;-2.79,-7.41,;-2.79,-4.75,;-4.33,-4.75,;-4.8,-3.28,;-3.56,-2.38,;-2.47,-1.29,;-3.56,-.2,;-4.65,-1.29,;-3.56,1.34,;-2.31,2.25,;-2.79,3.71,;-2.02,5.04,;-2.49,6.51,;-1.25,7.41,;-0,6.51,;1.49,6.91,;2.57,5.82,;2.18,4.33,;3.26,3.24,;4.75,3.64,;5.15,5.13,;6.64,5.53,;4.06,6.22,;-.48,5.04,;-4.33,3.71,;-5.1,5.04,;-4.33,6.38,;-6.64,5.04,;-4.8,2.25,;-6.14,1.48,;-2.31,-3.28,)|

BDBM394212

CC#CC(=O)N1CC[C@@]2(C[C@@H](C2)n2nc(-c3cnn(Cc4cccc(c4Cl)C(F)(F)F)c3)c(C(N)=O)c2N)C1 |r,wU:10.12,wD:8.11,(3.19,-6.57,;1.7,-6.97,;.21,-7.37,;-1.28,-7.77,;-1.67,-9.25,;-2.36,-6.68,;-3.9,-6.68,;-4.38,-5.21,;-3.13,-4.31,;-2.05,-3.22,;-3.13,-2.13,;-4.22,-3.22,;-3.13,-.59,;-1.89,.31,;-2.36,1.78,;-1.59,3.11,;-.05,3.11,;.42,4.58,;-.82,5.48,;-.43,6.97,;1.06,7.37,;1.46,8.86,;2.95,9.25,;4.04,8.17,;3.64,6.68,;2.15,6.28,;1.75,4.79,;4.73,5.59,;4.33,4.1,;6.21,5.99,;5.82,4.5,;-2.07,4.58,;-3.9,1.78,;-4.67,3.11,;-3.9,4.45,;-6.21,3.11,;-4.38,.31,;-5.71,-.46,;-1.89,-5.21,)|

BDBM394215

CC#CC(=O)N1CC[C@@]2(C[C@@H](C2)n2nc(-c3cnn(Cc4cccc(c4C)C(F)(F)F)c3)c(C(N)=O)c2N)C1 |r,wU:10.12,wD:8.11,(3.19,-6.57,;1.7,-6.97,;.21,-7.37,;-1.28,-7.77,;-1.67,-9.25,;-2.36,-6.68,;-3.9,-6.68,;-4.38,-5.21,;-3.13,-4.31,;-2.05,-3.22,;-3.13,-2.13,;-4.22,-3.22,;-3.13,-.59,;-1.89,.31,;-2.36,1.78,;-1.59,3.11,;-.05,3.11,;.42,4.58,;-.82,5.48,;-.43,6.97,;1.06,7.37,;1.46,8.86,;2.95,9.25,;4.04,8.17,;3.64,6.68,;2.15,6.28,;1.75,4.79,;4.73,5.59,;4.33,4.1,;6.21,5.99,;5.82,4.5,;-2.07,4.58,;-3.9,1.78,;-4.67,3.11,;-3.9,4.45,;-6.21,3.11,;-4.38,.31,;-5.71,-.46,;-1.89,-5.21,)|

BDBM394216

COc1ccc(cc1Cn1cc(cn1)-c1nn([C@H]2C[C@]3(C2)CCN(C3)C(=O)C#CC)c(N)c1C(N)=O)C(F)(F)F |r,wU:17.18,wD:19.21,(-1.12,9.2,;.37,9.6,;1.46,8.51,;2.95,8.91,;4.04,7.82,;3.64,6.33,;2.15,5.93,;1.06,7.02,;-.43,6.62,;-.82,5.14,;-2.07,4.23,;-1.59,2.77,;-.05,2.77,;.42,4.23,;-2.36,1.43,;-1.89,-.03,;-3.13,-.94,;-3.13,-2.48,;-2.05,-3.56,;-3.13,-4.65,;-4.22,-3.56,;-4.38,-5.56,;-3.9,-7.02,;-2.36,-7.02,;-1.89,-5.56,;-1.28,-8.11,;-1.67,-9.6,;.21,-7.71,;1.7,-7.32,;3.19,-6.92,;-4.38,-.03,;-5.71,-.8,;-3.9,1.43,;-4.67,2.77,;-3.9,4.1,;-6.21,2.77,;4.73,5.24,;4.33,3.76,;6.21,5.64,;5.82,4.16,)|

BDBM394217

CC#CC(=O)N1CC[C@@]2(C[C@@H](C2)n2nc(-c3cnn(Cc4cc(ccc4Cl)C(F)(F)F)c3)c(C(N)=O)c2N)C1 |r,wU:10.12,wD:8.11,(3.19,-6.92,;1.7,-7.32,;.21,-7.71,;-1.28,-8.11,;-1.67,-9.6,;-2.36,-7.02,;-3.9,-7.02,;-4.38,-5.56,;-3.13,-4.65,;-2.05,-3.56,;-3.13,-2.48,;-4.22,-3.56,;-3.13,-.94,;-1.89,-.03,;-2.36,1.43,;-1.59,2.77,;-.05,2.77,;.42,4.23,;-.82,5.14,;-.43,6.62,;1.06,7.02,;2.15,5.93,;3.64,6.33,;4.04,7.82,;2.95,8.91,;1.46,8.51,;.37,9.6,;4.73,5.24,;4.33,3.76,;6.21,5.64,;5.82,4.16,;-2.07,4.23,;-3.9,1.43,;-4.67,2.77,;-3.9,4.1,;-6.21,2.77,;-4.38,-.03,;-5.71,-.8,;-1.89,-5.56,)|

BDBM394219

CC#CC(=O)N1CC[C@@]2(C[C@@H](C2)n2nc(-c3cnn(Cc4cccc(c4C#N)C(F)(F)F)c3)c(C(N)=O)c2N)C1 |r,wU:10.12,wD:8.11,(4.54,-9.55,;3,-9.55,;1.46,-9.55,;-.08,-9.55,;-.85,-10.88,;-.85,-8.21,;-2.39,-8.21,;-2.86,-6.75,;-1.62,-5.84,;-.53,-4.75,;-1.62,-3.66,;-2.7,-4.75,;-1.62,-2.12,;-.37,-1.22,;-.85,.25,;-.08,1.58,;1.46,1.58,;1.94,3.04,;.69,3.95,;.69,5.49,;2.03,6.26,;3.36,5.49,;4.7,6.26,;4.7,7.8,;3.36,8.57,;2.03,7.8,;.69,8.57,;-.64,9.34,;3.36,10.11,;4.7,10.88,;2.03,10.88,;4.7,9.34,;-.55,3.04,;-2.39,.25,;-3.16,1.58,;-4.7,1.58,;-2.39,2.91,;-2.86,-1.22,;-4.2,-1.99,;-.37,-6.75,)|

BDBM394220

CC#CC(=O)N1CC[C@@]2(C[C@@H](C2)n2nc(-c3cnn(Cc4ccccc4C#N)c3)c(C(N)=O)c2N)C1 |r,wU:10.12,wD:8.11,(-3.58,-9.64,;-2.81,-8.3,;-2.04,-6.97,;-1.27,-5.64,;.27,-5.64,;-2.04,-4.3,;-3.58,-4.3,;-4.06,-2.84,;-2.81,-1.93,;-1.73,-.84,;-2.81,.25,;-3.9,-.84,;-2.81,1.79,;-1.57,2.69,;-2.04,4.16,;-1.27,5.49,;-1.75,6.95,;-.5,7.86,;.74,6.95,;2.23,7.35,;3.32,6.26,;2.92,4.78,;4.01,3.69,;5.5,4.09,;5.89,5.57,;4.81,6.66,;5.2,8.15,;5.6,9.64,;.27,5.49,;-3.58,4.16,;-4.35,5.49,;-5.89,5.49,;-3.58,6.82,;-4.06,2.69,;-5.39,1.92,;-1.57,-2.84,)|

BDBM394221

CC#CC(=O)N1CC[C@@]2(C[C@@H](C2)n2nc(-c3cnn(Cc4ccccc4C(F)(F)F)c3)c(C(N)=O)c2N)C1 |r,wU:10.12,wD:8.11,(2.95,-6.97,;1.41,-6.97,;-.13,-6.97,;-1.67,-6.97,;-2.44,-8.3,;-2.44,-5.64,;-3.98,-5.64,;-4.46,-4.17,;-3.21,-3.27,;-2.12,-2.18,;-3.21,-1.09,;-4.3,-2.18,;-3.21,.45,;-1.97,1.36,;-2.44,2.82,;-1.67,4.16,;-2.15,5.62,;-.9,6.53,;.34,5.62,;1.83,6.02,;2.92,4.93,;2.52,3.44,;3.61,2.35,;5.1,2.75,;5.5,4.24,;4.41,5.33,;4.81,6.82,;3.72,7.9,;5.2,8.3,;6.29,7.21,;-.13,4.16,;-3.98,2.82,;-4.75,4.16,;-3.98,5.49,;-6.29,4.16,;-4.46,1.36,;-5.79,.59,;-1.97,-4.17,)|

BDBM394223

CC#CC(=O)N1CC[C@@]2(C[C@@H](C2)n2nc(-c3cnn(Cc4cccc(n4)C(F)(F)F)c3)c(C(N)=O)c2N)C1 |r,wU:10.12,wD:8.11,(2.06,-6.08,;.52,-6.08,;-1.02,-6.08,;-2.56,-6.08,;-3.33,-7.41,;-3.33,-4.75,;-4.87,-4.75,;-5.35,-3.28,;-4.1,-2.38,;-3.01,-1.29,;-4.1,-.2,;-5.19,-1.29,;-4.1,1.34,;-2.86,2.25,;-3.33,3.71,;-2.56,5.04,;-3.04,6.51,;-1.79,7.41,;-.55,6.51,;.94,6.91,;2.03,5.82,;1.63,4.33,;2.72,3.24,;4.21,3.64,;4.61,5.13,;3.52,6.22,;6.09,5.53,;7.18,4.44,;6.09,3.99,;6.49,7.01,;-1.02,5.04,;-4.87,3.71,;-5.64,5.04,;-4.87,6.38,;-7.18,5.04,;-5.35,2.25,;-6.68,1.48,;-2.86,-3.28,)|

BDBM394225

CC#CC(=O)N1CC[C@@]2(C[C@@H](C2)n2nc(-c3cnn(Cc4ccccc4C)c3)c(C(N)=O)c2N)C1 |r,wU:10.12,wD:8.11,(3.35,-6.23,;1.81,-6.23,;.27,-6.23,;-1.27,-6.23,;-2.04,-7.56,;-2.04,-4.89,;-3.58,-4.89,;-4.06,-3.43,;-2.81,-2.52,;-1.73,-1.43,;-2.81,-.34,;-3.9,-1.43,;-2.81,1.2,;-1.57,2.1,;-2.04,3.57,;-1.27,4.9,;-1.75,6.36,;-.5,7.27,;.74,6.36,;2.23,6.76,;3.32,5.67,;2.92,4.19,;4.01,3.1,;5.5,3.5,;5.89,4.98,;4.81,6.07,;5.2,7.56,;.27,4.9,;-3.58,3.57,;-4.35,4.9,;-3.58,6.23,;-5.89,4.9,;-4.06,2.1,;-5.39,1.33,;-1.57,-3.43,)|

BDBM394227

CC#CC(=O)N1CC[C@@]2(C[C@@H](C2)n2nc(-c3cnn(c3)[C@H](C)c3cccc(c3)C(F)(F)F)c(C(N)=O)c2N)C1 |r,wU:10.12,wD:8.11,20.22,(2.06,-6.57,;.52,-6.57,;-1.02,-6.57,;-2.56,-6.57,;-3.33,-7.9,;-3.33,-5.24,;-4.87,-5.24,;-5.35,-3.77,;-4.1,-2.87,;-3.01,-1.78,;-4.1,-.69,;-5.19,-1.78,;-4.1,.85,;-2.86,1.76,;-3.33,3.22,;-2.56,4.55,;-3.04,6.02,;-1.79,6.92,;-.55,6.02,;-1.02,4.55,;.94,6.42,;1.34,7.9,;2.03,5.33,;1.63,3.84,;2.72,2.75,;4.21,3.15,;4.61,4.64,;3.52,5.73,;6.09,5.04,;7.18,3.95,;6.09,3.5,;6.49,6.52,;-4.87,3.22,;-5.64,4.55,;-4.87,5.89,;-7.18,4.55,;-5.35,1.76,;-6.68,.99,;-2.86,-3.77,)|

BDBM394228

CC#CC(=O)N1CC[C@@]2(C[C@@H](C2)n2nc(-c3cn(Cc4cccc(c4)C(F)(F)F)nc3C)c(C(N)=O)c2N)C1 |r,wU:10.12,wD:8.11,(2.06,-6.08,;.52,-6.08,;-1.02,-6.08,;-2.56,-6.08,;-3.33,-7.41,;-3.33,-4.75,;-4.87,-4.75,;-5.35,-3.28,;-4.1,-2.38,;-3.01,-1.29,;-4.1,-.2,;-5.19,-1.29,;-4.1,1.34,;-2.86,2.25,;-3.33,3.71,;-2.56,5.04,;-1.02,5.04,;-.55,6.51,;.94,6.91,;2.03,5.82,;1.63,4.33,;2.72,3.24,;4.21,3.64,;4.61,5.13,;3.52,6.22,;6.09,5.53,;7.18,4.44,;6.09,3.99,;6.49,7.01,;-1.79,7.41,;-3.04,6.51,;-4.37,7.28,;-4.87,3.71,;-5.64,5.04,;-4.87,6.38,;-7.18,5.04,;-5.35,2.25,;-6.68,1.48,;-2.86,-3.28,)|

BDBM394230

CC#CC(=O)N1CC[C@@]2(C[C@@H](C2)n2nc(c(C(N)=O)c2N)-c2c(C)nn(Cc3cccc(c3)C(F)(F)F)c2C)C1 |r,wU:10.12,wD:8.11,(2.06,-6.08,;.52,-6.08,;-1.02,-6.08,;-2.56,-6.08,;-3.33,-7.41,;-3.33,-4.75,;-4.87,-4.75,;-5.35,-3.28,;-4.1,-2.38,;-3.01,-1.29,;-4.1,-.2,;-5.19,-1.29,;-4.1,1.34,;-2.86,2.25,;-3.33,3.71,;-4.87,3.71,;-5.64,5.04,;-4.87,6.38,;-7.18,5.04,;-5.35,2.25,;-6.68,1.48,;-2.56,5.04,;-3.04,6.51,;-4.37,7.28,;-1.79,7.41,;-.55,6.51,;.94,6.91,;2.03,5.82,;1.63,4.33,;2.72,3.24,;4.21,3.64,;4.61,5.13,;3.52,6.22,;6.09,5.53,;7.18,4.44,;6.09,3.99,;6.49,7.01,;-1.02,5.04,;-.25,3.71,;-2.86,-3.28,)|

BDBM394231

CC#CC(=O)N1CC[C@@]2(C[C@@H](C2)n2nc(-c3cnn(Cc4cccc(c4)C(F)(F)F)c3)c(C(N)=O)c2N)C1 |r,wU:10.12,wD:8.11,(2.06,-6.08,;.52,-6.08,;-1.02,-6.08,;-2.56,-6.08,;-3.33,-7.41,;-3.33,-4.75,;-4.87,-4.75,;-5.35,-3.28,;-4.1,-2.38,;-3.01,-1.29,;-4.1,-.2,;-5.19,-1.29,;-4.1,1.34,;-2.86,2.25,;-3.33,3.71,;-2.56,5.04,;-3.04,6.51,;-1.79,7.41,;-.55,6.51,;.94,6.91,;2.03,5.82,;1.63,4.33,;2.72,3.24,;4.21,3.64,;4.61,5.13,;3.52,6.22,;6.09,5.53,;7.18,4.44,;6.09,3.99,;6.49,7.01,;-1.02,5.04,;-4.87,3.71,;-5.64,5.04,;-4.87,6.38,;-7.18,5.04,;-5.35,2.25,;-6.68,1.48,;-2.86,-3.28,)|

BDBM394232

CNc1c(C(N)=O)c(nn1[C@H]1C[C@]2(C1)CCN(C2)C(=O)C#CC)-c1cnn(Cc2cccc(c2)C(F)(F)F)c1 |r,wU:10.10,wD:12.13,(-7.21,.36,;-6.81,1.85,;-5.32,2.25,;-4.85,3.71,;-5.62,5.04,;-4.85,6.38,;-7.16,5.04,;-3.31,3.71,;-2.83,2.25,;-4.08,1.34,;-4.08,-.2,;-2.99,-1.29,;-4.08,-2.38,;-5.17,-1.29,;-5.32,-3.28,;-4.85,-4.75,;-3.31,-4.75,;-2.83,-3.28,;-2.54,-6.08,;-3.31,-7.41,;-1,-6.08,;.54,-6.08,;2.08,-6.08,;-2.54,5.04,;-3.01,6.51,;-1.77,7.41,;-.52,6.51,;.97,6.91,;2.06,5.82,;1.66,4.33,;2.75,3.24,;4.23,3.64,;4.63,5.13,;3.54,6.22,;6.12,5.53,;7.21,4.44,;6.12,3.99,;6.52,7.01,;-1,5.04,)|

BDBM394234

CC#CC(=O)N1CC[C@@]2(C[C@@H](C2)n2nc(-c3ccn(Cc4cccc(c4)C(F)(F)F)n3)c(C(N)=O)c2N)C1 |r,wU:10.12,wD:8.11,(2.06,-6.08,;.52,-6.08,;-1.02,-6.08,;-2.56,-6.08,;-3.33,-7.41,;-3.33,-4.75,;-4.87,-4.75,;-5.35,-3.28,;-4.1,-2.38,;-3.01,-1.29,;-4.1,-.2,;-5.19,-1.29,;-4.1,1.34,;-2.86,2.25,;-3.33,3.71,;-2.56,5.04,;-3.04,6.51,;-1.79,7.41,;-.55,6.51,;.94,6.91,;2.03,5.82,;1.63,4.33,;2.72,3.24,;4.21,3.64,;4.61,5.13,;3.52,6.22,;6.09,5.53,;7.18,4.44,;6.09,3.99,;6.49,7.01,;-1.02,5.04,;-4.87,3.71,;-5.64,5.04,;-4.87,6.38,;-7.18,5.04,;-5.35,2.25,;-6.68,1.48,;-2.86,-3.28,)|

BDBM394235

NC(=O)c1c(N)n(nc1-c1cnn(Cc2cccc(c2F)C(F)(F)F)c1)[C@H]1C[C@]2(C1)CCN(C2)C(=O)C=C |r,wU:26.28,wD:28.31,(-4.87,6.23,;-5.64,4.9,;-7.18,4.9,;-4.87,3.57,;-5.35,2.1,;-6.68,1.33,;-4.1,1.2,;-2.86,2.1,;-3.33,3.57,;-2.56,4.9,;-3.04,6.36,;-1.79,7.27,;-.55,6.36,;.94,6.76,;2.03,5.67,;1.63,4.19,;2.72,3.1,;4.21,3.5,;4.61,4.98,;3.52,6.07,;3.92,7.56,;6.09,5.38,;7.18,4.29,;6.09,3.84,;6.49,6.87,;-1.02,4.9,;-4.1,-.34,;-3.01,-1.43,;-4.1,-2.52,;-5.19,-1.43,;-5.35,-3.43,;-4.87,-4.89,;-3.33,-4.89,;-2.86,-3.43,;-2.56,-6.23,;-3.33,-7.56,;-1.02,-6.23,;-.25,-7.56,)|

BDBM394236

CNc1c(C(N)=O)c(nn1[C@H]1C[C@]2(C1)CCN(C2)C(=O)C#CC)-c1cnn(Cc2cccc(Cl)c2)c1 |r,wU:10.10,wD:12.13,(-5.84,1,;-4.75,-.08,;-3.27,.31,;-2.79,1.78,;-3.56,3.11,;-2.79,4.45,;-5.1,3.11,;-1.25,1.78,;-.77,.31,;-2.02,-.59,;-2.02,-2.13,;-.93,-3.22,;-2.02,-4.31,;-3.11,-3.22,;-3.27,-5.21,;-2.79,-6.68,;-1.25,-6.68,;-.77,-5.21,;-.16,-7.77,;-.56,-9.25,;1.33,-7.37,;2.81,-6.97,;4.3,-6.57,;-.48,3.11,;1.06,3.11,;1.54,4.58,;.29,5.48,;.69,6.97,;2.18,7.37,;2.58,8.86,;4.06,9.25,;5.15,8.17,;4.75,6.68,;5.84,5.59,;3.27,6.28,;-.96,4.58,)|

BDBM394237

CC#CC(=O)N1CC[C@@]2(C[C@@H](C2)n2nc(-c3cnn(Cc4cccc(F)c4)c3)c(C(N)=O)c2N)C1 |r,wU:10.12,wD:8.11,(2.6,-6.08,;1.06,-6.08,;-.48,-6.08,;-2.02,-6.08,;-2.79,-7.41,;-2.79,-4.75,;-4.33,-4.75,;-4.8,-3.28,;-3.56,-2.38,;-2.47,-1.29,;-3.56,-.2,;-4.65,-1.29,;-3.56,1.34,;-2.31,2.25,;-2.79,3.71,;-2.02,5.04,;-2.49,6.51,;-1.25,7.41,;-0,6.51,;1.49,6.91,;2.57,5.82,;2.18,4.33,;3.26,3.24,;4.75,3.64,;5.15,5.13,;6.64,5.53,;4.06,6.22,;-.48,5.04,;-4.33,3.71,;-5.1,5.04,;-4.33,6.38,;-6.64,5.04,;-4.8,2.25,;-6.14,1.48,;-2.31,-3.28,)|

BDBM394238

CC#CC(=O)N1CC[C@@]2(C[C@@H](C2)n2nc(-c3cnn(Cc4ccc(F)cc4)c3)c(C(N)=O)c2N)C1 |r,wU:10.12,wD:8.11,(3,-6.08,;1.46,-6.08,;-.08,-6.08,;-1.62,-6.08,;-2.39,-7.41,;-2.39,-4.75,;-3.93,-4.75,;-4.41,-3.28,;-3.16,-2.38,;-2.07,-1.29,;-3.16,-.2,;-4.25,-1.29,;-3.16,1.34,;-1.91,2.25,;-2.39,3.71,;-1.62,5.04,;-2.1,6.51,;-.85,7.41,;.4,6.51,;1.88,6.91,;2.97,5.82,;2.57,4.33,;3.66,3.24,;5.15,3.64,;6.24,2.55,;5.55,5.13,;4.46,6.22,;-.08,5.04,;-3.93,3.71,;-4.7,5.04,;-3.93,6.38,;-6.24,5.04,;-4.41,2.25,;-5.74,1.48,;-1.91,-3.28,)|

BDBM394239

CC#CC(=O)N1CC[C@@]2(C[C@@H](C2)n2nc(-c3cnn(Cc4ccc(F)c(c4)C(F)(F)F)c3)c(C(N)=O)c2N)C1 |r,wU:10.12,wD:8.11,(2.22,-4.69,;.73,-5.08,;-.76,-5.48,;-2.24,-5.88,;-2.64,-7.37,;-3.33,-4.79,;-4.87,-4.79,;-5.35,-3.33,;-4.1,-2.42,;-3.01,-1.33,;-4.1,-.24,;-5.19,-1.33,;-4.1,1.3,;-2.86,2.2,;-3.33,3.67,;-2.56,5,;-3.04,6.46,;-1.79,7.37,;-.55,6.46,;.94,6.86,;2.03,5.77,;1.63,4.29,;2.72,3.2,;4.21,3.6,;5.3,2.51,;4.61,5.08,;3.52,6.17,;6.09,5.48,;7.18,4.39,;6.09,3.94,;6.49,6.97,;-1.02,5,;-4.87,3.67,;-5.64,5,;-7.18,5,;-4.87,6.33,;-5.35,2.2,;-6.68,1.43,;-2.86,-3.33,)|

BDBM394241

CC#CC(=O)N1CC[C@@]2(C[C@@H](C2)n2nc(-c3cnn(Cc4cc(ccc4F)C(F)(F)F)c3)c(C(N)=O)c2N)C1 |r,wU:10.12,wD:8.11,(2.22,-4.69,;.73,-5.08,;-.76,-5.48,;-2.24,-5.88,;-2.64,-7.37,;-3.33,-4.79,;-4.87,-4.79,;-5.35,-3.33,;-4.1,-2.42,;-3.01,-1.33,;-4.1,-.24,;-5.19,-1.33,;-4.1,1.3,;-2.86,2.2,;-3.33,3.67,;-2.56,5,;-3.04,6.46,;-1.79,7.37,;-.55,6.46,;.94,6.86,;2.03,5.77,;3.52,6.17,;4.61,5.08,;4.21,3.6,;2.72,3.2,;1.63,4.29,;.14,3.89,;6.09,5.48,;7.18,4.39,;6.09,3.94,;6.49,6.97,;-1.02,5,;-4.87,3.67,;-5.64,5,;-7.18,5,;-4.87,6.33,;-5.35,2.2,;-6.68,1.43,;-2.86,-3.33,)|

BDBM394242

CC#CC(=O)N1CC[C@@]2(C[C@@H](C2)n2nc(-c3cnn(Cc4cccc(c4F)C(F)(F)F)c3)c(C(N)=O)c2N)C1 |r,wU:10.12,wD:8.11,(2.22,-4.83,;.73,-5.23,;-.76,-5.63,;-2.24,-6.03,;-2.64,-7.51,;-3.33,-4.94,;-4.87,-4.94,;-5.35,-3.47,;-4.1,-2.57,;-3.01,-1.48,;-4.1,-.39,;-5.19,-1.48,;-4.1,1.15,;-2.86,2.06,;-3.33,3.52,;-2.56,4.85,;-3.04,6.32,;-1.79,7.22,;-.55,6.32,;.94,6.72,;2.03,5.63,;1.63,4.14,;2.72,3.05,;4.21,3.45,;4.61,4.94,;3.52,6.03,;3.92,7.51,;6.09,5.34,;7.18,4.25,;6.09,3.8,;6.49,6.82,;-1.02,4.85,;-4.87,3.52,;-5.64,4.85,;-7.18,4.85,;-4.87,6.19,;-5.35,2.06,;-6.68,1.29,;-2.86,-3.47,)|

BDBM394245

CC#CC(=O)N1CC[C@@]2(C[C@@H](C2)n2nc(-c3cnn(Cc4cccc(c4)C(F)F)c3)c(C(N)=O)c2N)C1 |r,wU:10.12,wD:8.11,(-4.87,-8.75,;-4.1,-7.41,;-3.33,-6.08,;-2.56,-4.75,;-1.02,-4.75,;-3.33,-3.41,;-4.87,-3.41,;-5.35,-1.95,;-4.1,-1.04,;-3.01,.05,;-4.1,1.13,;-5.19,.05,;-4.1,2.67,;-2.86,3.58,;-3.33,5.04,;-2.56,6.38,;-3.04,7.84,;-1.79,8.75,;-.55,7.84,;.94,8.24,;2.03,7.15,;1.63,5.66,;2.72,4.58,;4.21,4.97,;4.61,6.46,;3.52,7.55,;6.09,6.86,;6.49,8.35,;7.18,5.77,;-1.02,6.38,;-4.87,5.04,;-5.64,6.38,;-7.18,6.38,;-4.87,7.71,;-5.35,3.58,;-6.68,2.81,;-2.86,-1.95,)|

BDBM394253

CC#CC(=O)N1CC[C@@]2(C[C@@H](C2)n2nc(-c3cnn(Cc4ccccc4)c3)c(C(N)=O)c2N)C1 |r,wU:10.12,wD:8.11,(-3.58,-8.75,;-2.81,-7.41,;-2.04,-6.08,;-1.27,-4.75,;.27,-4.75,;-2.04,-3.41,;-3.58,-3.41,;-4.06,-1.95,;-2.81,-1.04,;-1.73,.05,;-2.81,1.13,;-3.9,.05,;-2.81,2.67,;-1.57,3.58,;-2.04,5.04,;-1.27,6.38,;-1.75,7.84,;-.5,8.75,;.74,7.84,;2.23,8.24,;3.32,7.15,;2.92,5.66,;4.01,4.58,;5.5,4.97,;5.89,6.46,;4.81,7.55,;.27,6.38,;-3.58,5.04,;-4.35,6.38,;-5.89,6.38,;-3.58,7.71,;-4.06,3.58,;-5.39,2.81,;-1.57,-1.95,)|

BDBM394256

CC#CC(=O)N1CC2(CC(C2)n2nc(-c3cnn(Cc4cccc(c4)C(F)(F)F)c3)c(C(N)=O)c2N)C1

BDBM394260

CC#CC(=O)N1CC[C@@]2(C[C@@H](C2)n2nc(-c3cnn(Cc4cccc(c4)C4CC4)c3)c(C(N)=O)c2N)C1 |r,wU:10.12,wD:8.11,(1.86,-6.08,;.32,-6.08,;-1.22,-6.08,;-2.76,-6.08,;-3.53,-7.41,;-3.53,-4.75,;-5.07,-4.75,;-5.55,-3.28,;-4.3,-2.38,;-3.21,-1.29,;-4.3,-.2,;-5.39,-1.29,;-4.3,1.34,;-3.06,2.25,;-3.53,3.71,;-2.76,5.04,;-3.24,6.51,;-1.99,7.41,;-.75,6.51,;.74,6.91,;1.83,5.82,;1.43,4.33,;2.52,3.24,;4.01,3.64,;4.41,5.13,;3.32,6.22,;5.89,5.53,;7.38,5.13,;6.98,6.62,;-1.22,5.04,;-5.07,3.71,;-5.84,5.04,;-7.38,5.04,;-5.07,6.38,;-5.55,2.25,;-6.88,1.48,;-3.06,-3.28,)|

BDBM394261

CC#CC(=O)N1CC[C@@]2(C[C@@H](C2)n2nc(-c3cn(Cc4cccc(C)c4)nc3C)c(C(N)=O)c2N)C1 |r,wU:10.12,wD:8.11,(2.76,-4.69,;1.28,-5.08,;-.21,-5.48,;-1.7,-5.88,;-2.1,-7.37,;-2.79,-4.79,;-4.33,-4.79,;-4.8,-3.33,;-3.56,-2.42,;-2.47,-1.33,;-3.56,-.24,;-4.65,-1.33,;-3.56,1.3,;-2.31,2.2,;-2.79,3.67,;-2.02,5,;-.48,5,;-0,6.46,;1.49,6.86,;2.57,5.77,;2.18,4.29,;3.26,3.2,;4.75,3.6,;5.15,5.08,;6.64,5.48,;4.06,6.17,;-1.25,7.37,;-2.49,6.46,;-3.83,7.23,;-4.33,3.67,;-5.1,5,;-6.64,5,;-4.33,6.33,;-4.8,2.2,;-6.14,1.43,;-2.31,-3.33,)|

BDBM394262

CC#CC(=O)N1CC[C@@]2(C[C@@H](C2)n2nc(-c3cnn(Cc4cccc(F)c4Cl)c3)c(C(N)=O)c2N)C1 |r,wU:10.12,wD:8.11,(2.6,-6.23,;1.06,-6.23,;-.48,-6.23,;-2.02,-6.23,;-2.79,-7.56,;-2.79,-4.89,;-4.33,-4.89,;-4.8,-3.43,;-3.56,-2.52,;-2.47,-1.43,;-3.56,-.34,;-4.65,-1.43,;-3.56,1.2,;-2.31,2.1,;-2.79,3.57,;-2.02,4.9,;-2.49,6.36,;-1.25,7.27,;-0,6.36,;1.49,6.76,;2.57,5.67,;2.18,4.19,;3.26,3.1,;4.75,3.5,;5.15,4.98,;6.64,5.38,;4.06,6.07,;4.46,7.56,;-.48,4.9,;-4.33,3.57,;-5.1,4.9,;-4.33,6.23,;-6.64,4.9,;-4.8,2.1,;-6.14,1.33,;-2.31,-3.43,)|

BDBM394263

CC#CC(=O)N1CC[C@@]2(C[C@@H](C2)n2nc(-c3cnn(Cc4ccccc4Cl)c3)c(C(N)=O)c2N)C1 |r,wU:10.12,wD:8.11,(3.35,-6.23,;1.81,-6.23,;.27,-6.23,;-1.27,-6.23,;-2.04,-7.56,;-2.04,-4.89,;-3.58,-4.89,;-4.06,-3.43,;-2.81,-2.52,;-1.73,-1.43,;-2.81,-.34,;-3.9,-1.43,;-2.81,1.2,;-1.57,2.1,;-2.04,3.57,;-1.27,4.9,;-1.75,6.36,;-.5,7.27,;.74,6.36,;2.23,6.76,;3.32,5.67,;2.92,4.19,;4.01,3.1,;5.5,3.5,;5.89,4.98,;4.81,6.07,;5.2,7.56,;.27,4.9,;-3.58,3.57,;-4.35,4.9,;-3.58,6.23,;-5.89,4.9,;-4.06,2.1,;-5.39,1.33,;-1.57,-3.43,)|

BDBM394264

CC#CC(=O)N1CC[C@@]2(C[C@@H](C2)n2nc(-c3cnn(Cc4cc(F)ccc4Cl)c3)c(C(N)=O)c2N)C1 |r,wU:10.12,wD:8.11,(3.35,-6.23,;1.81,-6.23,;.27,-6.23,;-1.27,-6.23,;-2.04,-7.56,;-2.04,-4.89,;-3.58,-4.89,;-4.06,-3.43,;-2.81,-2.52,;-1.73,-1.43,;-2.81,-.34,;-3.9,-1.43,;-2.81,1.2,;-1.57,2.1,;-2.04,3.57,;-1.27,4.9,;-1.75,6.36,;-.5,7.27,;.74,6.36,;2.23,6.76,;3.32,5.67,;2.92,4.19,;4.01,3.1,;3.61,1.61,;5.5,3.5,;5.89,4.98,;4.81,6.07,;5.2,7.56,;.27,4.9,;-3.58,3.57,;-4.35,4.9,;-3.58,6.23,;-5.89,4.9,;-4.06,2.1,;-5.39,1.33,;-1.57,-3.43,)|

BDBM394265

CC#CC(=O)N1CC[C@@]2(C[C@@H](C2)n2nc(-c3cnn(Cc4cccc(F)c4C(F)(F)F)c3)c(C(N)=O)c2N)C1 |r,wU:10.12,wD:8.11,(2.6,-6.97,;1.06,-6.97,;-.48,-6.97,;-2.02,-6.97,;-2.79,-8.3,;-2.79,-5.64,;-4.33,-5.64,;-4.8,-4.17,;-3.56,-3.27,;-2.47,-2.18,;-3.56,-1.09,;-4.65,-2.18,;-3.56,.45,;-2.31,1.36,;-2.79,2.82,;-2.02,4.16,;-2.49,5.62,;-1.25,6.53,;-0,5.62,;1.49,6.02,;2.57,4.93,;2.18,3.44,;3.26,2.35,;4.75,2.75,;5.15,4.24,;6.64,4.64,;4.06,5.33,;4.46,6.82,;5.95,7.21,;3.37,7.9,;4.86,8.3,;-.48,4.16,;-4.33,2.82,;-5.1,4.16,;-4.33,5.49,;-6.64,4.16,;-4.8,1.36,;-6.14,.59,;-2.31,-4.17,)|

BDBM394267

CC#CC(=O)N1CC[C@@]2(C[C@@H](C2)n2nc(-c3cnn(Cc4ccc(Cl)c(c4)C(F)(F)F)c3)c(C(N)=O)c2N)C1 |r,wU:10.12,wD:8.11,(3.19,-6.57,;1.7,-6.97,;.21,-7.37,;-1.28,-7.77,;-1.67,-9.25,;-2.36,-6.68,;-3.9,-6.68,;-4.38,-5.21,;-3.13,-4.31,;-2.05,-3.22,;-3.13,-2.13,;-4.22,-3.22,;-3.13,-.59,;-1.89,.31,;-2.36,1.78,;-1.59,3.11,;-.05,3.11,;.42,4.58,;-.82,5.48,;-.43,6.97,;1.06,7.37,;1.46,8.86,;2.95,9.25,;4.04,8.17,;5.52,8.56,;3.64,6.68,;2.15,6.28,;4.73,5.59,;6.21,5.99,;5.82,4.5,;4.33,4.1,;-2.07,4.58,;-3.9,1.78,;-4.67,3.11,;-3.9,4.45,;-6.21,3.11,;-4.38,.31,;-5.71,-.46,;-1.89,-5.21,)|

BDBM394268

CC#CC(=O)N1CC[C@@]2(C[C@@H](C2)n2nc(-c3cnn(Cc4cccc(F)c4F)c3)c(C(N)=O)c2N)C1 |r,wU:10.12,wD:8.11,(2.6,-6.23,;1.06,-6.23,;-.48,-6.23,;-2.02,-6.23,;-2.79,-7.56,;-2.79,-4.89,;-4.33,-4.89,;-4.8,-3.43,;-3.56,-2.52,;-2.47,-1.43,;-3.56,-.34,;-4.65,-1.43,;-3.56,1.2,;-2.31,2.1,;-2.79,3.57,;-2.02,4.9,;-2.49,6.36,;-1.25,7.27,;-0,6.36,;1.49,6.76,;2.57,5.67,;2.18,4.19,;3.26,3.1,;4.75,3.5,;5.15,4.98,;6.64,5.38,;4.06,6.07,;4.46,7.56,;-.48,4.9,;-4.33,3.57,;-5.1,4.9,;-4.33,6.23,;-6.64,4.9,;-4.8,2.1,;-6.14,1.33,;-2.31,-3.43,)|

BDBM394269

CC#CC(=O)N1CC[C@@]2(C[C@@H](C2)n2nc(-c3cnn(Cc4ccccc4F)c3)c(C(N)=O)c2N)C1 |r,wU:10.12,wD:8.11,(3.35,-6.23,;1.81,-6.23,;.27,-6.23,;-1.27,-6.23,;-2.04,-7.56,;-2.04,-4.89,;-3.58,-4.89,;-4.06,-3.43,;-2.81,-2.52,;-1.73,-1.43,;-2.81,-.34,;-3.9,-1.43,;-2.81,1.2,;-1.57,2.1,;-2.04,3.57,;-1.27,4.9,;-1.75,6.36,;-.5,7.27,;.74,6.36,;2.23,6.76,;3.32,5.67,;2.92,4.19,;4.01,3.1,;5.5,3.5,;5.89,4.98,;4.81,6.07,;5.2,7.56,;.27,4.9,;-3.58,3.57,;-4.35,4.9,;-3.58,6.23,;-5.89,4.9,;-4.06,2.1,;-5.39,1.33,;-1.57,-3.43,)|

BDBM13216

Cc1cccc(c1NC(=O)c2cnc(s2)Nc3cc(nc(n3)C)N4CCN(CC4)CCO)Cl

BDBM31090

CCOc1cc2c(cc1NC(=O)/C=C/CN(C)C)c(c(cn2)C#N)Nc3ccc(c(c3)Cl)F

BDBM26474

CN(c1ccc2c(C)n(C)nc2c1)c1ccnc(Nc2ccc(C)c(c2)S(N)(=O)=O)n1

BDBM5447

COc1cc2c(cc1OCCCN3CCOCC3)c(ncn2)Nc4ccc(c(c4)Cl)F

BDBM13336

CS(=O)c1ccc(cc1)-c1nc(c([nH]1)-c1ccc(F)cc1)-c1ccncc1

BDBM31096

CN[C@H]1C[C@@H]2O[C@](C)([C@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13

BDBM13534

CN1CCN(CC1)c1cc(Nc2cc(C)n[nH]2)nc(Sc2ccc(NC(=O)C3CC3)cc2)n1

BDBM21

CN1CCC(CC1)COc2cc3c(cc2OC)c(ncn3)Nc4ccc(cc4F)Br

BDBM209866

C[C@H]1CC[C@H](CN1C(=O)C=C)Nc1ncnc2[nH]ccc12 |r|

BDBM434514

C[C@H](NCc1ccc2n([C@@H]3C[C@@H](C3)NC(=O)C=C)c(NC(=O)c3ccc(s3)C(F)F)nc2c1)C(C)(C)C |r,wU:9.8,11.13,wD:1.0,(-7.63,5.65,;-7.63,4.11,;-6.3,3.34,;-4.96,4.11,;-3.63,3.34,;-3.63,1.8,;-2.29,1.03,;-.96,1.8,;.5,1.32,;.9,-.17,;.13,-1.5,;1.47,-2.27,;2.24,-.94,;1.86,-3.76,;3.35,-4.16,;3.75,-5.65,;4.44,-3.07,;5.93,-3.47,;1.41,2.57,;2.95,2.57,;3.72,3.9,;2.95,5.23,;5.26,3.9,;6.16,5.14,;7.63,4.67,;7.63,3.13,;6.16,2.65,;8.96,2.36,;10.3,3.13,;8.96,.82,;.5,3.81,;-.96,3.34,;-2.29,4.11,;-8.96,3.34,;-10.3,4.11,;-8.96,1.8,;-10.3,2.57,)|

BDBM434515

C[C@H](NCc1ccc2n(c(NC(=O)c3ccc(s3)C(F)F)nc2c1)-c1cccc(NC(=O)C=C)c1)C(C)(C)C |r|

BDBM434516

C[C@H](NCc1ccc2n([C@@H]3CC[C@@H](CC3)NC(=O)C=C)c(NC(=O)c3ccc(s3)C(F)F)nc2c1)C(C)(C)C |r,wU:9.8,12.15,wD:1.0,(-7.63,6.43,;-7.63,4.89,;-6.3,4.12,;-4.96,4.89,;-3.63,4.12,;-3.63,2.58,;-2.29,1.81,;-.96,2.58,;.5,2.1,;.9,.61,;-.19,-.48,;.21,-1.96,;1.7,-2.36,;2.79,-1.27,;2.39,.21,;2.1,-3.85,;1.01,-4.94,;1.41,-6.43,;-.48,-4.54,;-1.57,-5.63,;1.41,3.35,;2.95,3.35,;3.72,4.68,;2.95,6.01,;5.26,4.68,;6.16,5.93,;7.63,5.45,;7.63,3.91,;6.16,3.43,;8.96,3.14,;10.3,3.91,;8.96,1.6,;.5,4.59,;-.96,4.12,;-2.29,4.89,;-8.96,4.12,;-10.3,4.89,;-8.96,2.58,;-10.3,3.35,)|

BDBM434517

C[C@H](NCc1ccc2n(c(NC(=O)c3cccc(c3)C#N)nc2c1)-c1cccc(NC(=O)C=C)c1)C(C)(C)C |r|

BDBM434518

C[C@H](NCc1ccc2n(c(NC(=O)c3ccc(cc3)C#N)nc2c1)-c1cccc(NC(=O)C=C)c1)C(C)(C)C |r|

BDBM434519

C[C@H](NCc1ccc2n(c(NC(=O)c3nccs3)nc2c1)-c1cccc(NC(=O)C=C)c1)C(C)(C)C |r|

BDBM434520

C[C@H](NCc1ccc2n(c(NC(=O)c3ccncc3)nc2c1)-c1cccc(NC(=O)C=C)c1)C(C)(C)C |r|

BDBM434521

C[C@H](NCc1ccc2n(c(NC(=O)c3cncs3)nc2c1)-c1cccc(NC(=O)C=C)c1)C(C)(C)C |r|

BDBM434522

C[C@H](NCc1ccc2n([C@H]3CC[C@H](C3)NC(=O)C=C)c(NC(=O)c3ccc(s3)C(F)F)nc2c1)C(C)(C)C |r|

BDBM434523

C[C@H](NCc1ccc2n(c(NC(=O)c3cccnc3)nc2c1)-c1cccc(NC(=O)C=C)c1)C(C)(C)C |r|

BDBM434524

C[C@H](NCc1ccc2n(c(NC(=O)c3ccc(s3)-c3cnco3)nc2c1)-c1cccc(NC(=O)C=C)c1)C(C)(C)C |r|

BDBM434525

C[C@H](NCc1ccc2n(c(NC(=O)c3ccccn3)nc2c1)-c1cccc(NC(=O)C=C)c1)C(C)(C)C |r|

BDBM434526

C[C@H](NCc1ccc2n(c(NC(=O)c3ccnn3C)nc2c1)-c1cccc(NC(=O)C=C)c1)C(C)(C)C |r|

BDBM434527

O[C@H]1CC[C@@H](CC1)NCc1ccc2n(c(NC(=O)c3ccc(s3)C(F)F)nc2c1)-c1cccc(NC(=O)C=C)c1 |r,wU:4.7,wD:1.0,(-10.96,5.47,;-9.63,4.7,;-9.63,3.16,;-8.3,2.39,;-6.96,3.16,;-6.96,4.7,;-8.3,5.47,;-5.63,2.39,;-4.29,3.16,;-2.96,2.39,;-2.96,.85,;-1.63,.08,;-.29,.85,;1.17,.37,;2.08,1.62,;3.62,1.62,;4.39,2.95,;3.62,4.29,;5.93,2.95,;6.83,4.2,;8.3,3.72,;8.3,2.18,;6.83,1.71,;9.63,1.41,;9.63,-.13,;10.96,2.18,;1.17,2.87,;-.29,2.39,;-1.63,3.16,;1.57,-1.11,;3.06,-1.51,;3.46,-3,;2.37,-4.09,;.88,-3.69,;-.21,-4.78,;-1.7,-4.38,;-2.1,-2.89,;-2.79,-5.47,;-4.27,-5.07,;.48,-2.2,)|

BDBM434528

C[C@H](NCc1ccc2n(c(NC(=O)c3ccno3)nc2c1)-c1cccc(NC(=O)C=C)c1)C(C)(C)C |r|

BDBM434529

C[C@H](NCc1ccc2n(c(NC(=O)c3cnco3)nc2c1)-c1cccc(NC(=O)C=C)c1)C(C)(C)C |r|

BDBM434530

C[C@H](NCc1ccc2n(c(NC(=O)c3ccns3)nc2c1)-c1cccc(NC(=O)C=C)c1)C(C)(C)C |r|

BDBM434531

FC(F)c1ccc(s1)C(=O)Nc1nc2cc(CN3CCOCC3)ccc2n1-c1cccc(NC(=O)C=C)c1

BDBM434532

C[C@H](NCc1ccc2n([C@@H]3CC[C@@H](C3)NC(=O)C=C)c(NC(=O)c3ccc(s3)C(F)F)nc2c1)C(C)(C)C |r|

BDBM434533

C[C@H](NCc1ccc2n([C@@H]3CCC[C@@H](C3)NC(=O)C=C)c(NC(=O)c3ccc(s3)C(F)F)nc2c1)C(C)(C)C |r|

BDBM434534

C[C@H](N1CCOCC1)C(=O)N(C)c1ccc2n(c(NC(=O)c3ccc(s3)C(F)F)nc2c1)-c1cccc(NC(=O)C=C)c1 |r|

BDBM434535

C[C@H](NCc1ccc2n([C@H]3CCC[C@H](C3)NC(=O)C=C)c(NC(=O)c3ccc(s3)C(F)F)nc2c1)C(C)(C)C |r|

BDBM50239229

C(Nc1nc(nc2cccc(-c3ccccc3)c12)-c1cncnc1)c1ccccn1

BDBM458111

C[C@H](NCc1ccc2n(C3CC4(C3)CN(C4)C(=O)C=C)c(NC(=O)c3ccc(s3)C(F)F)nc2c1)C(C)(C)C |r|

BDBM50458591

C[C@H](NCc1ccc2n([C@H]3C[C@]4(C3)CCN(C4)C(=O)C=C)c(NC(=O)c3ccc(s3)C(F)F)nc2c1)C(C)(C)C |r,wU:11.13,9.8,wD:1.0,(29.61,-4,;29.61,-5.54,;30.95,-6.31,;32.28,-5.54,;33.61,-6.31,;33.61,-7.85,;34.94,-8.62,;36.29,-7.85,;37.76,-8.32,;38.24,-9.78,;39.62,-10.47,;38.92,-11.85,;37.55,-11.16,;40.43,-12.18,;40.58,-13.71,;39.17,-14.33,;38.15,-13.18,;38.84,-15.84,;39.98,-16.87,;37.37,-16.31,;37.05,-17.81,;38.67,-7.06,;40.21,-7.05,;40.97,-5.72,;40.19,-4.39,;42.5,-5.7,;43.4,-4.45,;44.87,-4.92,;44.88,-6.46,;43.42,-6.94,;46.13,-7.36,;45.98,-8.89,;47.53,-6.72,;37.75,-5.81,;36.28,-6.3,;34.94,-5.54,;28.28,-6.31,;26.94,-5.54,;28.28,-7.85,;26.93,-7.07,)|

BDBM458113

C[C@H](NCc1ccc2n([C@H]3C[C@@]4(C3)CCN(C4)C(=O)C=C)c(NC(=O)c3ccc(s3)C(F)F)nc2c1)C(C)(C)C |r,wU:9.8,wD:1.0,11.11,(-7.58,6.89,;-7.58,5.35,;-6.25,4.58,;-4.92,5.35,;-3.58,4.58,;-3.58,3.04,;-2.25,2.27,;-.92,3.04,;.55,2.57,;.95,1.08,;2.28,.31,;1.51,-1.03,;.18,-.26,;2.98,-1.5,;2.98,-3.04,;1.51,-3.52,;.61,-2.27,;1.11,-5.01,;2.2,-6.09,;-.37,-5.4,;-.77,-6.89,;1.45,3.81,;2.99,3.81,;3.76,5.14,;2.99,6.48,;5.3,5.14,;6.21,6.39,;7.67,5.91,;7.67,4.37,;6.21,3.9,;8.76,3.29,;10.25,3.68,;8.36,1.8,;.55,5.06,;-.92,4.58,;-2.25,5.35,;-8.92,4.58,;-10.25,5.35,;-8.92,3.04,;-10.25,3.81,)|

BDBM50458597

C[C@H](NCc1ccc2n([C@H]3C[C@]4(C3)CCN(C4)C(=O)C=C)c(NC(=O)c3ccc(s3)-c3cnco3)nc2c1)C(C)(C)C |r,wU:11.13,9.8,wD:1.0,(5.27,-4.41,;5.27,-5.95,;6.6,-6.72,;7.93,-5.95,;9.27,-6.72,;9.27,-8.26,;10.6,-9.03,;11.94,-8.26,;13.42,-8.73,;13.9,-10.19,;15.27,-10.88,;14.58,-12.26,;13.21,-11.57,;16.08,-12.59,;16.24,-14.13,;14.83,-14.75,;13.8,-13.59,;14.5,-16.25,;15.64,-17.29,;13.03,-16.72,;12.7,-18.22,;14.32,-7.47,;15.86,-7.47,;16.63,-6.13,;15.85,-4.8,;18.16,-6.12,;19.06,-4.86,;20.53,-5.33,;20.53,-6.87,;19.07,-7.36,;21.78,-7.77,;23.25,-7.28,;24.16,-8.52,;23.26,-9.78,;21.79,-9.31,;13.4,-6.23,;11.93,-6.71,;10.6,-5.95,;3.93,-6.72,;2.6,-5.95,;3.93,-8.26,;2.59,-7.48,)|

BDBM458115

C[C@H](NCc1ccc2n([C@H]3C[C@@]4(C3)CCN(C4)C(=O)C=C)c(NC(=O)c3ccc(s3)-c3cnco3)nc2c1)C(C)(C)C |r,wU:9.8,wD:1.0,11.11,(-8.15,6.89,;-8.15,5.35,;-6.81,4.58,;-5.48,5.35,;-4.15,4.58,;-4.15,3.04,;-2.81,2.27,;-1.48,3.04,;-.01,2.57,;.38,1.08,;1.72,.31,;.95,-1.03,;-.39,-.26,;2.41,-1.5,;2.41,-3.04,;.95,-3.52,;.04,-2.27,;.55,-5.01,;1.64,-6.09,;-.94,-5.4,;-1.34,-6.89,;.89,3.81,;2.43,3.81,;3.2,5.14,;2.43,6.48,;4.74,5.14,;5.65,6.39,;7.11,5.91,;7.11,4.37,;5.65,3.9,;8.44,3.6,;9.91,4.08,;10.81,2.83,;9.91,1.59,;8.44,2.06,;-.01,5.06,;-1.48,4.58,;-2.81,5.35,;-9.48,4.58,;-10.81,5.35,;-8.71,3.25,;-10.25,3.25,)|

BDBM458116

C[C@H](NCc1ccc2n([C@H]3C[C@]4(C3)CCN(C4)C(=O)C=C)c(NC(=O)c3cnco3)nc2c1)C(C)(C)C |r,wU:9.8,11.11,wD:1.0,(-6.3,6.89,;-6.3,5.35,;-4.96,4.58,;-3.63,5.35,;-2.29,4.58,;-2.29,3.04,;-.96,2.27,;.37,3.04,;1.84,2.57,;2.24,1.08,;3.57,.31,;2.8,-1.03,;1.47,-.26,;4.26,-1.5,;4.26,-3.04,;2.8,-3.52,;1.89,-2.27,;2.4,-5.01,;3.49,-6.09,;.91,-5.4,;.52,-6.89,;2.74,3.81,;4.28,3.81,;5.05,5.14,;4.28,6.48,;6.59,5.14,;7.5,6.39,;8.96,5.91,;8.96,4.37,;7.5,3.9,;1.84,5.06,;.37,4.58,;-.96,5.35,;-7.63,4.58,;-8.96,5.35,;-6.86,3.25,;-8.4,3.25,)|

BDBM458117

CC(C)c1ncc(s1)C(=O)Nc1nc2cc(CN[C@@H](C)C(C)(C)C)ccc2n1[C@H]1C[C@]2(C1)CCN(C2)C(=O)C=C |r,wU:28.30,30.33,wD:18.19,(10.3,4.37,;8.96,3.6,;8.96,2.06,;7.63,4.37,;7.63,5.91,;6.16,6.39,;5.26,5.14,;6.16,3.9,;3.72,5.14,;2.95,6.48,;2.95,3.81,;1.41,3.81,;.5,5.06,;-.96,4.58,;-2.29,5.35,;-3.63,4.58,;-4.96,5.35,;-6.3,4.58,;-7.63,5.35,;-7.63,6.89,;-8.96,4.58,;-10.3,5.35,;-8.19,3.25,;-9.73,3.25,;-3.63,3.04,;-2.29,2.27,;-.96,3.04,;.5,2.57,;.9,1.08,;2.24,.31,;1.47,-1.03,;.13,-.26,;2.93,-1.5,;2.93,-3.04,;1.47,-3.52,;.56,-2.27,;1.07,-5.01,;2.16,-6.09,;-.42,-5.4,;-.82,-6.89,)|

BDBM458118

C[C@H](NCc1ccc2n([C@H]3C[C@]4(C3)CCN(C4)C(=O)C=C)c(NC(=O)c3cnc(C)s3)nc2c1)C(C)(C)C |r,wU:9.8,11.11,wD:1.0,(-6.96,6.89,;-6.96,5.35,;-5.63,4.58,;-4.29,5.35,;-2.96,4.58,;-2.96,3.04,;-1.63,2.27,;-.29,3.04,;1.17,2.57,;1.57,1.08,;2.9,.31,;2.13,-1.03,;.8,-.26,;3.6,-1.5,;3.6,-3.04,;2.13,-3.52,;1.23,-2.27,;1.73,-5.01,;2.82,-6.09,;.25,-5.4,;-.15,-6.89,;2.08,3.81,;3.62,3.81,;4.39,5.14,;3.62,6.48,;5.93,5.14,;6.83,6.39,;8.3,5.91,;8.3,4.37,;9.63,3.6,;6.83,3.9,;1.17,5.06,;-.29,4.58,;-1.63,5.35,;-8.3,4.58,;-9.63,5.35,;-7.53,3.25,;-9.07,3.25,)|

BDBM458119

C[C@H](NCc1ccc2n([C@H]3C[C@]4(C3)CCCN(C4)C(=O)C=C)c(NC(=O)c3ccc(s3)C(F)F)nc2c1)C(C)(C)C |r,wU:9.8,11.11,wD:1.0,(-7.63,6.54,;-7.63,5,;-6.3,4.23,;-4.96,5,;-3.63,4.23,;-3.63,2.69,;-2.29,1.92,;-.96,2.69,;.5,2.21,;.9,.72,;2.24,-.05,;1.47,-1.38,;.13,-.61,;2.95,-1.78,;3.35,-3.27,;2.26,-4.36,;.78,-3.96,;.38,-2.47,;-.31,-5.05,;.09,-6.54,;-1.8,-4.65,;-2.89,-5.74,;1.41,3.46,;2.95,3.46,;3.72,4.79,;2.95,6.12,;5.26,4.79,;6.16,6.03,;7.63,5.56,;7.63,4.02,;6.16,3.54,;8.96,3.25,;10.3,4.02,;8.96,1.71,;.5,4.7,;-.96,4.23,;-2.29,5,;-8.96,4.23,;-10.3,5,;-8.96,2.69,;-10.3,3.46,)|

BDBM458120

C[C@H](NCc1ccc2n([C@H]3C[C@@]4(C3)CCCN(C4)C(=O)C=C)c(NC(=O)c3ccc(s3)C(F)F)nc2c1)C(C)(C)C |r,wU:9.8,wD:1.0,11.11,(-7.63,6.54,;-7.63,5,;-6.3,4.23,;-4.96,5,;-3.63,4.23,;-3.63,2.69,;-2.29,1.92,;-.96,2.69,;.5,2.21,;.9,.72,;2.24,-.05,;1.47,-1.38,;.13,-.61,;2.95,-1.78,;3.35,-3.27,;2.26,-4.36,;.78,-3.96,;.38,-2.47,;-.31,-5.05,;.09,-6.54,;-1.8,-4.65,;-2.89,-5.74,;1.41,3.46,;2.95,3.46,;3.72,4.79,;2.95,6.12,;5.26,4.79,;6.16,6.03,;7.63,5.56,;7.63,4.02,;6.16,3.54,;8.96,3.25,;10.3,4.02,;8.96,1.71,;.5,4.7,;-.96,4.23,;-2.29,5,;-8.96,4.23,;-10.3,5,;-8.96,2.69,;-10.3,3.46,)|

BDBM50458590

C[C@H](NCc1ccc2n([C@H]3C[C@]4(C3)CCN(C4)C(=O)C=C)c(NC(=O)c3cncs3)nc2c1)C(C)(C)C |r,wU:11.13,9.8,wD:1.0,(7.15,-27.46,;7.15,-29,;8.48,-29.76,;9.82,-28.99,;11.15,-29.76,;11.15,-31.31,;12.48,-32.08,;13.82,-31.31,;15.3,-31.78,;15.78,-33.24,;17.16,-33.93,;16.46,-35.31,;15.09,-34.61,;17.97,-35.64,;18.12,-37.17,;16.71,-37.79,;15.68,-36.64,;16.38,-39.29,;17.52,-40.33,;14.91,-39.76,;14.58,-41.27,;16.21,-30.52,;17.75,-30.51,;18.51,-29.17,;17.73,-27.84,;20.04,-29.16,;20.94,-27.91,;22.41,-28.38,;22.42,-29.92,;20.95,-30.4,;15.29,-29.27,;13.81,-29.76,;12.48,-28.99,;5.82,-29.77,;4.48,-29,;5.82,-31.31,;4.47,-30.53,)|

BDBM458122

C[C@H](NCc1ccc2n([C@H]3C[C@]4(C3)CCN(C4)C(=O)C=C)c(NC(=O)c3ccnn3C)nc2c1)C(C)(C)C |r,wU:9.8,11.11,wD:1.0,(-6.3,6.89,;-6.3,5.35,;-4.96,4.58,;-3.63,5.35,;-2.29,4.58,;-2.29,3.04,;-.96,2.27,;.37,3.04,;1.84,2.57,;2.24,1.08,;3.57,.31,;2.8,-1.03,;1.47,-.26,;4.26,-1.5,;4.26,-3.04,;2.8,-3.52,;1.89,-2.27,;2.4,-5.01,;3.49,-6.09,;.91,-5.4,;.52,-6.89,;2.74,3.81,;4.28,3.81,;5.05,5.14,;4.28,6.48,;6.59,5.14,;7.5,6.39,;8.96,5.91,;8.96,4.37,;7.5,3.9,;7.1,2.41,;1.84,5.06,;.37,4.58,;-.96,5.35,;-7.63,4.58,;-8.96,5.35,;-6.86,3.25,;-8.4,3.25,)|

BDBM458123

FC(F)c1ccc(s1)C(=O)Nc1nc2ccccc2n1[C@H]1C[C@]2(C1)CCN(C2)C(=O)C=C |r,wU:20.22,22.25,(5.63,2.27,;5.63,3.81,;6.96,4.58,;4.29,4.58,;4.29,6.12,;2.83,6.6,;1.93,5.35,;2.83,4.11,;.39,5.35,;-.38,6.68,;-.38,4.02,;-1.92,4.02,;-2.83,5.26,;-4.29,4.79,;-5.63,5.56,;-6.96,4.79,;-6.96,3.25,;-5.63,2.48,;-4.29,3.25,;-2.83,2.77,;-2.43,1.28,;-1.1,.51,;-1.87,-.82,;-3.2,-.05,;-.4,-1.3,;-.4,-2.84,;-1.87,-3.31,;-2.77,-2.07,;-2.27,-4.8,;-1.18,-5.89,;-3.75,-5.2,;-4.15,-6.68,)|

BDBM50458592

C=CC(=O)N1CC[C@@]2(C[C@@H](C2)n2c(NC(=O)c3ccc(s3)-c3cnco3)nc3ccccc23)C1 |r,wU:7.6,9.11,(34.53,-42.18,;34.86,-40.68,;36.33,-40.21,;37.47,-41.25,;36.66,-38.71,;38.07,-38.09,;37.92,-36.56,;36.41,-36.23,;37.11,-34.85,;35.73,-34.16,;35.04,-35.53,;35.25,-32.7,;36.16,-31.44,;37.7,-31.43,;38.46,-30.09,;37.68,-28.76,;39.99,-30.08,;40.89,-28.83,;42.36,-29.29,;42.37,-30.83,;40.9,-31.32,;43.62,-31.73,;45.08,-31.25,;45.99,-32.49,;45.09,-33.74,;43.63,-33.27,;35.24,-30.19,;33.76,-30.68,;32.43,-29.91,;31.1,-30.68,;31.1,-32.23,;32.43,-33,;33.77,-32.23,;35.63,-37.56,)|

BDBM458125

FC(F)c1ccc(s1)C(=O)Nc1nc2ccccc2n1[C@H]1C[C@@]2(C1)CCN(C2)C(=O)C=C |r,wU:20.22,wD:22.25,(5.63,2.27,;5.63,3.81,;6.96,4.58,;4.29,4.58,;4.29,6.12,;2.83,6.6,;1.93,5.35,;2.83,4.11,;.39,5.35,;-.38,6.68,;-.38,4.02,;-1.92,4.02,;-2.83,5.26,;-4.29,4.79,;-5.63,5.56,;-6.96,4.79,;-6.96,3.25,;-5.63,2.48,;-4.29,3.25,;-2.83,2.77,;-2.43,1.28,;-1.1,.51,;-1.87,-.82,;-3.2,-.05,;-.4,-1.3,;-.4,-2.84,;-1.87,-3.31,;-2.77,-2.07,;-2.27,-4.8,;-1.18,-5.89,;-3.75,-5.2,;-4.15,-6.68,)|

BDBM458126

C=CC(=O)N1CC[C@]2(C[C@@H](C2)n2c(NC(=O)c3ccc(s3)-c3cnco3)nc3ccccc23)C1 |r,wU:9.11,wD:7.10,(-4.67,-6.68,;-4.27,-5.2,;-2.78,-4.8,;-1.7,-5.89,;-2.39,-3.31,;-.92,-2.84,;-.92,-1.3,;-2.39,-.82,;-1.62,.51,;-2.95,1.28,;-3.72,-.05,;-3.35,2.77,;-2.44,4.02,;-.9,4.02,;-.13,5.35,;-.9,6.68,;1.41,5.35,;2.31,6.6,;3.78,6.12,;3.78,4.58,;2.31,4.11,;5.11,3.81,;6.58,4.29,;7.48,3.04,;6.58,1.8,;5.11,2.27,;-3.35,5.26,;-4.81,4.79,;-6.15,5.56,;-7.48,4.79,;-7.48,3.25,;-6.15,2.48,;-4.81,3.25,;-3.29,-2.07,)|

BDBM50458602

C[C@H](NCc1ccc2n([C@H]3C[C@]4(C3)CCN(C4)C(=O)C=C)c(NC(=O)c3ccc(cc3)C#N)nc2c1)C(C)(C)C |r,wU:11.13,9.8,wD:1.0,(54.44,-2.43,;54.44,-3.97,;55.77,-4.74,;57.11,-3.97,;58.44,-4.74,;58.44,-6.28,;59.77,-7.05,;61.11,-6.28,;62.59,-6.75,;63.07,-8.21,;64.45,-8.9,;63.75,-10.28,;62.38,-9.59,;65.25,-10.61,;65.41,-12.14,;64,-12.76,;62.97,-11.61,;63.67,-14.27,;64.81,-15.3,;62.2,-14.73,;61.87,-16.24,;63.49,-5.49,;65.03,-5.48,;65.8,-4.14,;65.02,-2.82,;67.33,-4.13,;68.1,-5.46,;69.64,-5.45,;70.39,-4.11,;69.61,-2.78,;68.08,-2.8,;71.93,-4.1,;73.47,-4.08,;62.58,-4.24,;61.1,-4.73,;59.77,-3.97,;53.1,-4.74,;51.77,-3.97,;53.1,-6.28,;51.76,-5.5,)|

BDBM458128

C[C@H](NCc1ccc2n([C@H]3C[C@]4(C3)CCN(C4)C(=O)C=C)c(NC(=O)c3ccncc3)nc2c1)C(C)(C)C |r,wU:9.8,11.11,wD:1.0,(-6.65,6.89,;-6.65,5.35,;-5.32,4.58,;-3.98,5.35,;-2.65,4.58,;-2.65,3.04,;-1.32,2.27,;.02,3.04,;1.48,2.57,;1.88,1.08,;3.21,.31,;2.44,-1.03,;1.11,-.26,;3.91,-1.5,;3.91,-3.04,;2.44,-3.52,;1.54,-2.27,;2.05,-5.01,;3.14,-6.09,;.56,-5.4,;.16,-6.89,;2.39,3.81,;3.93,3.81,;4.7,5.14,;3.93,6.48,;6.24,5.14,;7.01,3.81,;8.55,3.81,;9.32,5.14,;8.55,6.48,;7.01,6.48,;1.48,5.06,;.02,4.58,;-1.32,5.35,;-7.98,4.58,;-9.32,5.35,;-7.21,3.25,;-8.75,3.25,)|

BDBM458129

C[C@H](NCc1ccc2n([C@H]3C[C@]4(C3)CCN(C4)C(=O)C=C)c(NC(=O)c3ccno3)nc2c1)C(C)(C)C |r,wU:9.8,11.11,wD:1.0,(-6.3,6.89,;-6.3,5.35,;-4.96,4.58,;-3.63,5.35,;-2.29,4.58,;-2.29,3.04,;-.96,2.27,;.37,3.04,;1.84,2.57,;2.24,1.08,;3.57,.31,;2.8,-1.03,;1.47,-.26,;4.26,-1.5,;4.26,-3.04,;2.8,-3.52,;1.89,-2.27,;2.4,-5.01,;3.49,-6.09,;.91,-5.4,;.52,-6.89,;2.74,3.81,;4.28,3.81,;5.05,5.14,;4.28,6.48,;6.59,5.14,;7.5,6.39,;8.96,5.91,;8.96,4.37,;7.5,3.9,;1.84,5.06,;.37,4.58,;-.96,5.35,;-7.63,4.58,;-8.96,5.35,;-6.86,3.25,;-8.4,3.25,)|

BDBM458130

C[C@H](NCc1ccc2n([C@H]3C[C@]4(C3)CCN(C4)C(=O)C=C)c(NC(=O)c3cccnc3)nc2c1)C(C)(C)C |r,wU:9.8,11.11,wD:1.0,(-6.65,6.89,;-6.65,5.35,;-5.32,4.58,;-3.98,5.35,;-2.65,4.58,;-2.65,3.04,;-1.32,2.27,;.02,3.04,;1.48,2.57,;1.88,1.08,;3.21,.31,;2.44,-1.03,;1.11,-.26,;3.91,-1.5,;3.91,-3.04,;2.44,-3.52,;1.54,-2.27,;2.05,-5.01,;3.14,-6.09,;.56,-5.4,;.16,-6.89,;2.39,3.81,;3.93,3.81,;4.7,5.14,;3.93,6.48,;6.24,5.14,;7.01,3.81,;8.55,3.81,;9.32,5.14,;8.55,6.48,;7.01,6.48,;1.48,5.06,;.02,4.58,;-1.32,5.35,;-7.98,4.58,;-9.32,5.35,;-7.21,3.25,;-8.75,3.25,)|

BDBM458131

C[C@H](NCc1ccc2n([C@H]3C[C@]4(C3)CCN(C4)C(=O)C=C)c(NC(=O)c3cccc(c3)C#N)nc2c1)C(C)(C)C |r,wU:9.8,11.11,wD:1.0,(-7.04,6.89,;-7.04,5.35,;-5.7,4.58,;-4.37,5.35,;-3.03,4.58,;-3.03,3.04,;-1.7,2.27,;-.37,3.04,;1.1,2.57,;1.5,1.08,;2.83,.31,;2.06,-1.03,;.73,-.26,;3.52,-1.5,;3.52,-3.04,;2.06,-3.52,;1.15,-2.27,;1.66,-5.01,;2.75,-6.09,;.17,-5.4,;-.22,-6.89,;2,3.81,;3.54,3.81,;4.31,5.14,;3.54,6.48,;5.85,5.14,;6.62,6.48,;8.16,6.48,;8.93,5.14,;8.19,3.76,;6.62,3.81,;8.96,2.43,;9.73,1.1,;1.1,5.06,;-.37,4.58,;-1.7,5.35,;-8.37,4.58,;-9.7,5.35,;-7.6,3.25,;-9.14,3.25,)|

BDBM458132

C[C@H](NCc1ccc2n([C@H]3C[C@]4(C3)CCN(C4)C(=O)C=C)c(NC(=O)c3ccnc(C)c3)nc2c1)C(C)(C)C |r,wU:9.8,11.11,wD:1.0,(-6.65,6.43,;-6.65,4.89,;-5.32,4.12,;-3.98,4.89,;-2.65,4.12,;-2.65,2.58,;-1.32,1.81,;.02,2.58,;1.48,2.1,;1.88,.62,;3.21,-.15,;2.44,-1.49,;1.11,-.72,;3.91,-1.96,;3.91,-3.5,;2.44,-3.98,;1.54,-2.73,;2.05,-5.47,;3.14,-6.55,;.56,-5.86,;.16,-7.35,;2.39,3.35,;3.93,3.35,;4.7,4.68,;3.93,6.02,;6.24,4.68,;7.01,3.35,;8.55,3.35,;9.32,4.68,;8.55,6.02,;9.32,7.35,;7.01,6.02,;1.48,4.6,;.02,4.12,;-1.32,4.89,;-7.98,4.12,;-9.32,4.89,;-7.21,2.79,;-8.75,2.79,)|

BDBM50458598

C[C@H](NCc1ccc2n([C@H]3C[C@]4(C3)CCN(C4)C(=O)C=C)c(NC(=O)c3ccns3)nc2c1)C(C)(C)C |r,wU:11.13,9.8,wD:1.0,(55.89,-27.48,;55.89,-29.02,;57.23,-29.79,;58.56,-29.02,;59.89,-29.79,;59.89,-31.33,;61.23,-32.1,;62.57,-31.33,;64.04,-31.8,;64.52,-33.26,;65.9,-33.95,;65.2,-35.33,;63.83,-34.64,;66.71,-35.66,;66.86,-37.2,;65.45,-37.81,;64.43,-36.66,;65.12,-39.32,;66.26,-40.36,;63.65,-39.79,;63.33,-41.29,;64.95,-30.54,;66.49,-30.53,;67.25,-29.2,;66.47,-27.87,;68.79,-29.18,;69.67,-27.93,;71.14,-28.39,;71.15,-29.92,;69.69,-30.41,;64.03,-29.29,;62.56,-29.78,;61.22,-29.02,;54.56,-29.79,;53.22,-29.02,;54.56,-31.33,;53.21,-30.55,)|

BDBM458134

C[C@H](NCc1ccc2n([C@H]3C[C@]4(C3)CCN(C4)C(=O)C=C)c(NC(=O)c3ccc(C)nc3)nc2c1)C(C)(C)C |r,wU:9.8,11.11,wD:1.0,(-7.42,6.89,;-7.42,5.35,;-6.09,4.58,;-4.75,5.35,;-3.42,4.58,;-3.42,3.04,;-2.09,2.27,;-.75,3.04,;.71,2.57,;1.11,1.08,;2.44,.31,;1.67,-1.03,;.34,-.26,;3.14,-1.5,;3.14,-3.04,;1.67,-3.52,;.77,-2.27,;1.28,-5.01,;2.37,-6.09,;-.21,-5.4,;-.61,-6.89,;1.62,3.81,;3.16,3.81,;3.93,5.14,;3.16,6.48,;5.47,5.14,;6.24,3.81,;7.78,3.81,;8.55,5.14,;10.09,5.14,;7.78,6.48,;6.24,6.48,;.71,5.06,;-.75,4.58,;-2.09,5.35,;-8.75,4.58,;-10.09,5.35,;-7.98,3.25,;-9.52,3.25,)|

BDBM50458599

FC(F)c1ccc(s1)C(=O)Nc1nc2cc(CN3CCOCC3)ccc2n1[C@H]1C[C@]2(C1)CCN(C2)C(=O)C=C |r,wU:29.35,27.30,(22.81,-7.77,;22.96,-6.23,;24.36,-5.6,;21.71,-5.34,;21.69,-3.81,;20.23,-3.34,;19.34,-4.6,;20.25,-5.82,;17.81,-4.61,;17.03,-3.28,;17.05,-5.95,;15.51,-5.96,;14.59,-4.71,;13.11,-5.2,;11.78,-4.43,;10.45,-5.2,;9.12,-4.43,;7.78,-5.2,;6.44,-4.43,;5.11,-5.19,;5.1,-6.73,;6.44,-7.51,;7.78,-6.74,;10.45,-6.75,;11.78,-7.52,;13.12,-6.75,;14.6,-7.22,;15.08,-8.68,;16.46,-9.37,;15.76,-10.75,;14.39,-10.05,;17.27,-11.08,;17.42,-12.61,;16.01,-13.23,;14.98,-12.08,;15.68,-14.73,;16.82,-15.77,;14.21,-15.2,;13.88,-16.71,)|

BDBM458136

C[C@H](NCc1ccc2n([C@H]3C[C@]4(C3)CCN(C4)C(=O)C=C)c(NC(=O)c3ccc(s3)C#C)nc2c1)C(C)(C)C |r,wU:9.8,11.11,wD:1.0,(-7.63,6.89,;-7.63,5.35,;-6.3,4.58,;-4.96,5.35,;-3.63,4.58,;-3.63,3.04,;-2.29,2.27,;-.96,3.04,;.5,2.57,;.9,1.08,;2.24,.31,;1.47,-1.03,;.13,-.26,;2.93,-1.5,;2.93,-3.04,;1.47,-3.52,;.56,-2.27,;1.07,-5.01,;2.16,-6.09,;-.42,-5.4,;-.82,-6.89,;1.41,3.81,;2.95,3.81,;3.72,5.14,;2.95,6.48,;5.26,5.14,;6.16,6.39,;7.63,5.91,;7.63,4.37,;6.16,3.9,;8.96,3.6,;10.3,2.83,;.5,5.06,;-.96,4.58,;-2.29,5.35,;-8.96,4.58,;-10.3,5.35,;-8.96,3.04,;-10.3,3.81,)|

BDBM458137

OCc1ccc2n([C@H]3C[C@]4(C3)CCN(C4)C(=O)C=C)c(NC(=O)c3ccc(s3)-c3cc[nH]c(=O)c3)nc2c1 |r,wU:7.6,9.9,(-8.96,4.79,;-7.63,5.56,;-6.3,4.79,;-6.3,3.25,;-4.96,2.48,;-3.63,3.25,;-2.16,2.77,;-1.76,1.28,;-.43,.51,;-1.2,-.82,;-2.53,-.05,;.26,-1.3,;.26,-2.84,;-1.2,-3.31,;-2.11,-2.07,;-1.6,-4.8,;-.51,-5.89,;-3.09,-5.2,;-3.49,-6.68,;-1.26,4.02,;.28,4.02,;1.05,5.35,;.28,6.68,;2.59,5.35,;3.5,6.6,;4.96,6.12,;4.96,4.58,;3.5,4.11,;6.3,3.81,;7.63,4.58,;8.96,3.81,;8.96,2.27,;7.63,1.5,;7.63,-.04,;6.3,2.27,;-2.16,5.26,;-3.63,4.79,;-4.96,5.56,)|

BDBM50458593

CC(F)(F)c1ccc(s1)C(=O)Nc1nc2ccccc2n1[C@H]1C[C@]2(C1)CCN(C2)C(=O)C=C |r,wU:23.28,21.23,(21.07,-29.11,;21.21,-27.57,;21.97,-26.23,;22.75,-27.56,;19.96,-26.68,;19.95,-25.15,;18.49,-24.68,;17.6,-25.94,;18.51,-27.17,;16.07,-25.95,;15.29,-24.62,;15.3,-27.29,;13.76,-27.3,;12.84,-26.05,;11.37,-26.54,;10.04,-25.77,;8.71,-26.54,;8.71,-28.09,;10.04,-28.86,;11.38,-28.09,;12.86,-28.56,;13.34,-30.02,;14.72,-30.71,;14.02,-32.09,;12.65,-31.39,;15.52,-32.42,;15.68,-33.95,;14.27,-34.57,;13.24,-33.42,;13.94,-36.08,;15.08,-37.11,;12.47,-36.54,;12.14,-38.05,)|

BDBM458139

Nc1ccc(cn1)-c1ccc(s1)C(=O)Nc1nc2ccccc2n1[C@H]1C[C@]2(C1)CCN(C2)C(=O)C=C |r,wU:24.27,26.30,(8.3,1.5,;6.96,2.27,;5.63,1.5,;4.29,2.27,;4.29,3.81,;5.63,4.58,;6.96,3.81,;2.96,4.58,;2.96,6.12,;1.5,6.6,;.59,5.35,;1.5,4.11,;-.95,5.35,;-1.72,6.68,;-1.72,4.02,;-3.26,4.02,;-4.16,5.26,;-5.63,4.79,;-6.96,5.56,;-8.3,4.79,;-8.3,3.25,;-6.96,2.48,;-5.63,3.25,;-4.16,2.77,;-3.77,1.28,;-2.43,.51,;-3.2,-.82,;-4.54,-.05,;-1.74,-1.3,;-1.74,-2.84,;-3.2,-3.31,;-4.11,-2.07,;-3.6,-4.8,;-2.51,-5.89,;-5.09,-5.2,;-5.49,-6.68,)|

BDBM458140

COc1ccc(cn1)C(=O)Nc1nc2cc(CN[C@@H](C)C(C)(C)C)ccc2n1[C@H]1C[C@]2(C1)CCN(C2)C(=O)C=C |r,wU:28.30,30.33,wD:18.19,(10.53,6.48,;9.76,5.15,;8.22,5.14,;7.39,3.81,;5.85,3.81,;5.08,5.14,;5.85,6.48,;7.39,6.48,;3.54,5.14,;2.77,6.48,;2.77,3.81,;1.23,3.81,;.33,5.06,;-1.14,4.58,;-2.47,5.35,;-3.8,4.58,;-5.14,5.35,;-6.47,4.58,;-7.81,5.35,;-7.81,6.89,;-9.14,4.58,;-10.47,5.35,;-9.14,3.04,;-10.47,3.81,;-3.8,3.04,;-2.47,2.27,;-1.14,3.04,;.33,2.57,;.73,1.08,;2.06,.31,;1.29,-1.03,;-.04,-.26,;2.75,-1.5,;2.75,-3.04,;1.29,-3.52,;.38,-2.27,;.89,-5.01,;1.98,-6.09,;-.6,-5.4,;-.99,-6.89,)|

BDBM458141

C[C@H](NCc1ccc2n([C@H]3C[C@]4(C3)CCN(C4)C(=O)C=C)c(NC(=O)c3ccc(nc3)-c3ccccc3)nc2c1)C(C)(C)C |r,wU:9.8,11.11,wD:1.0,(-8.96,6.89,;-8.96,5.35,;-7.63,4.58,;-6.29,5.35,;-4.96,4.58,;-4.96,3.04,;-3.63,2.27,;-2.29,3.04,;-.83,2.57,;-.43,1.08,;.9,.31,;.13,-1.03,;-1.2,-.26,;1.6,-1.5,;1.6,-3.04,;.13,-3.52,;-.77,-2.27,;-.26,-5.01,;.83,-6.09,;-1.75,-5.4,;-2.15,-6.89,;.08,3.81,;1.62,3.81,;2.39,5.14,;1.62,6.48,;3.93,5.14,;4.7,3.81,;6.24,3.81,;7.01,5.14,;6.24,6.48,;4.7,6.48,;8.55,5.14,;9.32,3.81,;10.86,3.81,;11.63,5.14,;10.86,6.48,;9.32,6.48,;-.83,5.06,;-2.29,4.58,;-3.63,5.35,;-10.29,4.58,;-11.63,5.35,;-10.29,3.04,;-11.63,3.81,)|

BDBM458142

FC(F)c1ccc(s1)C(=O)Nc1nc2cc(CN3CCCC3)ccc2n1[C@H]1C[C@]2(C1)CCN(C2)C(=O)C=C |r,wU:26.29,28.32,(9.48,4.58,;8.15,3.81,;8.15,2.27,;6.81,4.58,;6.81,6.12,;5.35,6.6,;4.44,5.35,;5.35,4.11,;2.9,5.35,;2.13,6.68,;2.13,4.02,;.59,4.02,;-.31,5.26,;-1.78,4.79,;-3.11,5.56,;-4.44,4.79,;-5.78,5.56,;-7.11,4.79,;-8.58,5.26,;-9.48,4.02,;-8.58,2.77,;-7.11,3.25,;-4.44,3.25,;-3.11,2.48,;-1.78,3.25,;-.31,2.77,;.09,1.28,;1.42,.51,;.65,-.82,;-.68,-.05,;2.12,-1.3,;2.12,-2.84,;.65,-3.31,;-.25,-2.07,;.25,-4.8,;1.34,-5.89,;-1.24,-5.2,;-1.63,-6.68,)|

BDBM458143

O[C@H]1CC[C@@H](CC1)NCc1ccc2n([C@H]3C[C@]4(C3)CCN(C4)C(=O)C=C)c(NC(=O)c3ccc(s3)C(F)F)nc2c1 |r,wU:14.14,16.17,4.7,wD:1.0,(-10.96,7.28,;-9.63,6.51,;-9.63,4.97,;-8.3,4.2,;-6.96,4.97,;-6.96,6.51,;-8.3,7.28,;-5.63,4.2,;-4.29,4.97,;-2.96,4.2,;-2.96,2.66,;-1.63,1.89,;-.29,2.66,;1.17,2.18,;1.57,.69,;2.9,-.08,;2.13,-1.41,;.8,-.64,;3.6,-1.89,;3.6,-3.43,;2.13,-3.9,;1.23,-2.66,;1.73,-5.39,;2.82,-6.48,;.25,-5.79,;-.15,-7.28,;2.08,3.43,;3.62,3.43,;4.39,4.76,;3.62,6.09,;5.93,4.76,;6.83,6.01,;8.3,5.53,;8.3,3.99,;6.83,3.51,;9.63,3.22,;10.96,3.99,;9.63,1.68,;1.17,4.67,;-.29,4.2,;-1.63,4.97,)|

BDBM458144

O[C@H]1C[C@@H](C1)NCc1ccc2n([C@H]3C[C@]4(C3)CCN(C4)C(=O)C=C)c(NC(=O)c3ccc(s3)C(F)F)nc2c1 |r,wU:12.12,14.15,3.5,wD:1.0,(-10.57,7.05,;-9.24,6.28,;-8.84,4.79,;-7.35,5.19,;-7.75,6.68,;-6.02,4.42,;-4.69,5.19,;-3.35,4.42,;-3.35,2.88,;-2.02,2.11,;-.68,2.88,;.78,2.41,;1.18,.92,;2.51,.15,;1.74,-1.19,;.41,-.42,;3.21,-1.66,;3.21,-3.2,;1.74,-3.68,;.84,-2.43,;1.34,-5.16,;2.43,-6.25,;-.14,-5.56,;-.54,-7.05,;1.69,3.65,;3.23,3.65,;4,4.99,;3.23,6.32,;5.54,4.99,;6.44,6.23,;7.91,5.76,;7.91,4.22,;6.44,3.74,;9.24,3.45,;10.57,4.22,;9.24,1.91,;.78,4.9,;-.68,4.42,;-2.02,5.19,)|

BDBM50458594

CC(C)(CO)CNCc1ccc2n([C@H]3C[C@]4(C3)CCN(C4)C(=O)C=C)c(NC(=O)c3ccc(s3)C(F)F)nc2c1 |r,wU:15.17,13.12,(31.69,-7.25,;30.92,-5.92,;30.15,-7.24,;29.6,-5.15,;28.26,-5.92,;32.26,-5.15,;33.6,-5.92,;34.93,-5.15,;36.26,-5.92,;36.26,-7.46,;37.6,-8.23,;38.94,-7.46,;40.42,-7.93,;40.9,-9.39,;42.27,-10.08,;41.58,-11.46,;40.2,-10.77,;43.08,-11.79,;43.23,-13.33,;41.82,-13.94,;40.8,-12.79,;41.49,-15.45,;42.63,-16.49,;40.03,-15.92,;39.7,-17.42,;41.32,-6.67,;42.86,-6.66,;43.62,-5.33,;42.84,-4,;45.16,-5.31,;46.05,-4.06,;47.51,-4.52,;47.52,-6.05,;46.07,-6.54,;48.77,-6.95,;50.17,-6.31,;48.62,-8.48,;40.4,-5.42,;38.93,-5.91,;37.59,-5.15,)|

BDBM458146

C[C@H](NCc1ccc2n([C@H]3C[C@]4(C3)CCN(C4)C(=O)C=C)c(NC(=O)c3cccc(c3)-c3cnco3)nc2c1)C(C)(C)C |r,wU:9.8,11.11,wD:1.0,(-7.66,6.49,;-7.66,4.95,;-6.32,4.18,;-4.99,4.95,;-3.66,4.18,;-3.66,2.64,;-2.32,1.87,;-.99,2.64,;.47,2.17,;.87,.68,;2.21,-.09,;1.44,-1.42,;.1,-.65,;2.9,-1.9,;2.9,-3.44,;1.44,-3.92,;.53,-2.67,;1.04,-5.4,;2.13,-6.49,;-.45,-5.8,;-1.54,-4.71,;1.38,3.41,;2.92,3.41,;3.69,4.75,;2.92,6.08,;5.23,4.75,;6,6.08,;7.54,6.08,;8.31,4.75,;7.54,3.41,;6,3.41,;8.31,2.08,;7.83,.61,;9.08,-.29,;10.33,.61,;9.85,2.08,;.47,4.66,;-.99,4.18,;-2.32,4.95,;-8.99,4.18,;-10.33,4.95,;-8.99,2.64,;-10.33,3.41,)|

BDBM458147

C[C@H](NCc1ccc2n([C@H]3C[C@]4(C3)CCN(C4)C(=O)C=C)c(NC(=O)c3ccc(cc3)-c3cnco3)nc2c1)C(C)(C)C |r,wU:9.8,11.11,wD:1.0,(-8.61,6.89,;-8.61,5.35,;-7.27,4.58,;-5.94,5.35,;-4.6,4.58,;-4.6,3.04,;-3.27,2.27,;-1.94,3.04,;-.47,2.57,;-.07,1.08,;1.26,.31,;.49,-1.03,;-.84,-.26,;1.95,-1.5,;1.95,-3.04,;.49,-3.52,;-.42,-2.27,;.09,-5.01,;1.18,-6.09,;-1.4,-5.4,;-1.79,-6.89,;.43,3.81,;1.97,3.81,;2.74,5.14,;1.97,6.48,;4.28,5.14,;5.05,3.81,;6.59,3.81,;7.36,5.14,;6.59,6.48,;5.05,6.48,;8.9,5.14,;9.81,3.9,;11.27,4.37,;11.27,5.91,;9.81,6.39,;-.47,5.06,;-1.94,4.58,;-3.27,5.35,;-9.94,4.58,;-11.27,5.35,;-9.94,3.04,;-11.27,3.81,)|

BDBM458148

C=CC(=O)N1CC[C@@]2(C[C@@H](C2)n2c(NC(=O)c3ccc(s3)-c3cnco3)nc3cc(CN4CCCC4)ccc23)C1 |r,wU:9.11,7.10,(-2.15,-6.68,;-1.75,-5.2,;-.27,-4.8,;.82,-5.89,;.13,-3.31,;1.6,-2.84,;1.6,-1.3,;.13,-.82,;.9,.51,;-.43,1.28,;-1.2,-.05,;-.83,2.77,;.08,4.02,;1.62,4.02,;2.39,5.35,;1.62,6.68,;3.93,5.35,;4.83,6.6,;6.3,6.12,;6.3,4.58,;4.83,4.11,;7.63,3.81,;9.09,4.29,;10,3.04,;9.09,1.8,;7.63,2.27,;-.83,5.26,;-2.29,4.79,;-3.63,5.56,;-4.96,4.79,;-6.3,5.56,;-7.63,4.79,;-9.09,5.26,;-10,4.02,;-9.09,2.77,;-7.63,3.25,;-4.96,3.25,;-3.63,2.48,;-2.29,3.25,;-.77,-2.07,)|

BDBM458149

C=CC(=O)N1CC[C@@]2(C[C@@H](C2)n2c(NC(=O)c3ccc(s3)-c3cnco3)nc3cc(CN4CCOCC4)ccc23)C1 |r,wU:9.11,7.10,(-2,-6.68,;-1.6,-5.2,;-.12,-4.8,;.97,-5.89,;.28,-3.31,;1.75,-2.84,;1.75,-1.3,;.28,-.82,;1.05,.51,;-.28,1.28,;-1.05,-.05,;-.68,2.77,;.22,4.02,;1.76,4.02,;2.53,5.35,;1.76,6.68,;4.07,5.35,;4.98,6.6,;6.44,6.12,;6.44,4.58,;4.98,4.11,;7.78,3.81,;9.24,4.29,;10.15,3.04,;9.24,1.8,;7.78,2.27,;-.68,5.26,;-2.15,4.79,;-3.48,5.56,;-4.81,4.79,;-6.15,5.56,;-7.48,4.79,;-8.81,5.56,;-10.15,4.79,;-10.15,3.25,;-8.81,2.48,;-7.48,3.25,;-4.81,3.25,;-3.48,2.48,;-2.15,3.25,;-.62,-2.07,)|

BDBM50458603

O[C@H]1CC[C@@H](CC1)NCc1ccc2n([C@H]3C[C@]4(C3)CCN(C4)C(=O)C=C)c(NC(=O)c3ccc(s3)-c3cnco3)nc2c1 |r,wU:16.19,14.14,4.7,wD:1.0,(27.35,-24.1,;28.68,-24.87,;28.67,-26.42,;30.01,-27.19,;31.34,-26.42,;31.34,-24.88,;30.02,-24.11,;32.67,-27.19,;34,-26.42,;35.34,-27.19,;35.34,-28.73,;36.67,-29.51,;38.01,-28.73,;39.49,-29.21,;39.97,-30.66,;41.34,-31.36,;40.65,-32.73,;39.28,-32.04,;42.15,-33.06,;42.31,-34.6,;40.9,-35.22,;39.87,-34.06,;40.57,-36.72,;41.71,-37.76,;39.1,-37.19,;38.77,-38.69,;40.39,-27.94,;41.93,-27.94,;42.7,-26.6,;41.92,-25.27,;44.23,-26.59,;45.12,-25.33,;46.58,-25.79,;46.59,-27.33,;45.14,-27.81,;47.84,-28.22,;49.3,-27.73,;50.21,-28.96,;49.32,-30.21,;47.86,-29.75,;39.47,-26.7,;38,-27.18,;36.67,-26.42,)|

BDBM458151

O[C@H]1C[C@@H](C1)NCc1ccc2n([C@H]3C[C@]4(C3)CCN(C4)C(=O)C=C)c(NC(=O)c3ccc(s3)-c3cnco3)nc2c1 |r,wU:12.12,14.15,3.5,wD:1.0,(-11.09,7.05,;-9.76,6.28,;-9.36,4.79,;-7.87,5.19,;-8.27,6.68,;-6.54,4.42,;-5.2,5.19,;-3.87,4.42,;-3.87,2.88,;-2.54,2.11,;-1.2,2.88,;.26,2.41,;.66,.92,;1.99,.15,;1.22,-1.19,;-.11,-.42,;2.69,-1.66,;2.69,-3.2,;1.22,-3.68,;.32,-2.43,;.83,-5.16,;1.91,-6.25,;-.66,-5.56,;-1.06,-7.05,;1.17,3.65,;2.71,3.65,;3.48,4.99,;2.71,6.32,;5.02,4.99,;5.92,6.23,;7.39,5.76,;7.39,4.22,;5.92,3.74,;8.72,3.45,;10.19,3.92,;11.09,2.68,;10.19,1.43,;8.72,1.91,;.26,4.9,;-1.2,4.42,;-2.54,5.19,)|

BDBM50458595

CC(C)(CO)CNCc1ccc2n([C@H]3C[C@]4(C3)CCN(C4)C(=O)C=C)c(NC(=O)c3ccc(s3)-c3cnco3)nc2c1 |r,wU:15.17,13.12,(57.21,-6.44,;56.45,-5.11,;55.68,-6.44,;55.12,-4.34,;53.79,-5.11,;57.79,-4.34,;59.13,-5.11,;60.46,-4.34,;61.79,-5.11,;61.79,-6.65,;63.13,-7.43,;64.47,-6.65,;65.94,-7.13,;66.42,-8.58,;67.8,-9.28,;67.1,-10.66,;65.73,-9.96,;68.61,-10.98,;68.76,-12.52,;67.35,-13.14,;66.33,-11.99,;67.02,-14.64,;68.16,-15.68,;65.55,-15.11,;65.23,-16.61,;66.85,-5.86,;68.39,-5.86,;69.15,-4.52,;68.37,-3.19,;70.69,-4.51,;71.57,-3.25,;73.04,-3.71,;73.05,-5.25,;71.59,-5.73,;74.3,-6.14,;75.76,-5.65,;76.67,-6.88,;75.78,-8.13,;74.32,-7.67,;65.93,-4.62,;64.46,-5.1,;63.12,-4.34,)|

BDBM458153

C=CC(=O)N1CC[C@@]2(C[C@@H](C2)n2c(NC(=O)c3ccno3)nc3ccccc23)C1 |r,wU:9.11,7.10,(-2.82,-6.68,;-2.42,-5.2,;-.93,-4.8,;.16,-5.89,;-.53,-3.31,;.93,-2.84,;.93,-1.3,;-.53,-.82,;.24,.51,;-1.1,1.28,;-1.87,-.05,;-1.5,2.77,;-.59,4.02,;.95,4.02,;1.72,5.35,;.95,6.68,;3.26,5.35,;4.16,6.6,;5.63,6.12,;5.63,4.58,;4.16,4.11,;-1.5,5.26,;-2.96,4.79,;-4.29,5.56,;-5.63,4.79,;-5.63,3.25,;-4.29,2.48,;-2.96,3.25,;-1.44,-2.07,)|

BDBM458154

C=CC(=O)N1CC[C@@]2(C[C@@H](C2)n2c(NC(=O)c3ccns3)nc3ccccc23)C1 |r,wU:9.11,7.10,(-2.82,-6.68,;-2.42,-5.2,;-.93,-4.8,;.16,-5.89,;-.53,-3.31,;.93,-2.84,;.93,-1.3,;-.53,-.82,;.24,.51,;-1.1,1.28,;-1.87,-.05,;-1.5,2.77,;-.59,4.02,;.95,4.02,;1.72,5.35,;.95,6.68,;3.26,5.35,;4.16,6.6,;5.63,6.12,;5.63,4.58,;4.16,4.11,;-1.5,5.26,;-2.96,4.79,;-4.29,5.56,;-5.63,4.79,;-5.63,3.25,;-4.29,2.48,;-2.96,3.25,;-1.44,-2.07,)|

BDBM458155

Cc1ccc(cn1)C(=O)Nc1nc2ccccc2n1[C@H]1C[C@]2(C1)CCN(C2)C(=O)C=C |r,wU:19.21,21.24,(6.75,5.35,;5.21,5.35,;4.44,4.02,;2.9,4.02,;2.13,5.35,;2.9,6.68,;4.44,6.68,;.59,5.35,;-.18,6.68,;-.18,4.02,;-1.72,4.02,;-2.62,5.26,;-4.09,4.79,;-5.42,5.56,;-6.75,4.79,;-6.75,3.25,;-5.42,2.48,;-4.09,3.25,;-2.62,2.77,;-2.22,1.28,;-.89,.51,;-1.66,-.82,;-2.99,-.05,;-.19,-1.3,;-.19,-2.84,;-1.66,-3.31,;-2.56,-2.07,;-2.06,-4.8,;-.97,-5.89,;-3.55,-5.2,;-3.94,-6.68,)|

BDBM458156

C=CC(=O)N1CC[C@@]2(C[C@@H](C2)n2c(NC(=O)c3ccc(cc3)C#N)nc3ccccc23)C1 |r,wU:9.11,7.10,(-4.71,-6.68,;-4.32,-5.2,;-2.83,-4.8,;-1.74,-5.89,;-2.43,-3.31,;-.96,-2.84,;-.96,-1.3,;-2.43,-.82,;-1.66,.51,;-2.99,1.28,;-3.76,-.05,;-3.39,2.77,;-2.49,4.02,;-.95,4.02,;-.18,5.35,;-.95,6.68,;1.36,5.35,;2.13,4.02,;3.67,4.02,;4.5,5.35,;3.67,6.68,;2.13,6.68,;6.04,5.35,;7.58,5.35,;-3.39,5.26,;-4.86,4.79,;-6.19,5.56,;-7.52,4.79,;-7.52,3.25,;-6.19,2.48,;-4.86,3.25,;-3.33,-2.07,)|

BDBM458157

C=CC(=O)N1CC[C@@]2(C[C@@H](C2)n2c(NC(=O)c3cccc(c3)-c3cnco3)nc3ccccc23)C1 |r,wU:9.11,7.10,(-4.18,-8.54,;-3.78,-7.05,;-2.3,-6.65,;-1.21,-7.74,;-1.9,-5.16,;-.43,-4.69,;-.43,-3.15,;-1.9,-2.67,;-1.13,-1.34,;-2.46,-.57,;-3.23,-1.9,;-2.86,.92,;-1.95,2.17,;-.41,2.17,;.36,3.5,;-.41,4.83,;1.9,3.5,;2.67,2.17,;4.21,2.17,;4.98,3.5,;4.21,4.83,;2.67,4.83,;4.98,6.17,;6.52,6.17,;6.99,7.63,;5.75,8.54,;4.5,7.63,;-2.86,3.41,;-4.32,2.94,;-5.66,3.71,;-6.99,2.94,;-6.99,1.4,;-5.66,.63,;-4.32,1.4,;-2.8,-3.92,)|

BDBM50458596

CNc1ccc2n([C@H]3C[C@]4(C3)CCN(C4)C(=O)C=C)c(NC(=O)c3ccc(s3)-c3cnco3)nc2c1 |r,wU:9.11,7.6,(58.28,-26.3,;59.61,-25.53,;60.95,-26.3,;60.94,-27.84,;62.28,-28.61,;63.62,-27.84,;65.1,-28.31,;65.58,-29.77,;66.95,-30.46,;66.26,-31.84,;64.89,-31.15,;67.76,-32.17,;67.91,-33.7,;66.5,-34.32,;65.48,-33.17,;66.18,-35.83,;67.31,-36.87,;64.71,-36.3,;64.38,-37.8,;66,-27.05,;67.54,-27.04,;68.3,-25.71,;67.53,-24.38,;69.84,-25.69,;70.73,-24.44,;72.19,-24.9,;72.2,-26.43,;70.75,-26.92,;73.45,-27.32,;74.91,-26.84,;75.82,-28.07,;74.93,-29.32,;73.47,-28.86,;65.08,-25.8,;63.61,-26.29,;62.28,-25.53,)|

BDBM458159

CN(C(=O)C1CCOCC1)c1ccc2n([C@H]3C[C@]4(C3)CCN(C4)C(=O)C=C)c(NC(=O)c3ccc(s3)-c3cnco3)nc2c1 |r,wU:15.15,17.18,(-5.48,6.51,;-5.48,4.97,;-6.81,4.2,;-6.81,2.66,;-8.15,4.97,;-8.15,6.51,;-9.48,7.28,;-10.81,6.51,;-10.81,4.97,;-9.48,4.2,;-4.15,4.2,;-4.15,2.66,;-2.81,1.89,;-1.48,2.66,;-.01,2.18,;.38,.69,;1.72,-.08,;.95,-1.41,;-.39,-.64,;2.41,-1.89,;2.41,-3.43,;.95,-3.9,;.04,-2.66,;.55,-5.39,;1.64,-6.48,;-.94,-5.79,;-1.34,-7.28,;.89,3.43,;2.43,3.43,;3.2,4.76,;2.43,6.09,;4.74,4.76,;5.65,6.01,;7.11,5.53,;7.11,3.99,;5.65,3.51,;8.44,3.22,;9.91,3.7,;10.81,2.45,;9.91,1.2,;8.44,1.68,;-.01,4.67,;-1.48,4.2,;-2.81,4.97,)|

BDBM458160

CN(C(=O)C1CC1)c1ccc2n([C@H]3C[C@]4(C3)CCN(C4)C(=O)C=C)c(NC(=O)c3ccc(s3)-c3cnco3)nc2c1 |r,wU:12.12,14.15,(-6.04,6.89,;-6.04,5.35,;-7.38,4.58,;-7.38,3.04,;-8.71,5.35,;-9.48,6.68,;-10.25,5.35,;-4.71,4.58,;-4.71,3.04,;-3.38,2.27,;-2.04,3.04,;-.58,2.57,;-.18,1.08,;1.15,.31,;.38,-1.03,;-.95,-.26,;1.85,-1.5,;1.85,-3.04,;.38,-3.52,;-.52,-2.27,;-.01,-5.01,;1.07,-6.09,;-1.5,-5.4,;-1.9,-6.89,;.33,3.81,;1.87,3.81,;2.64,5.14,;1.87,6.48,;4.18,5.14,;5.08,6.39,;6.55,5.91,;6.55,4.37,;5.08,3.9,;7.88,3.6,;9.35,4.08,;10.25,2.83,;9.35,1.59,;7.88,2.06,;-.58,5.06,;-2.04,4.58,;-3.38,5.35,)|

BDBM458161

CN(C(C)=O)c1ccc2n([C@H]3C[C@]4(C3)CCN(C4)C(=O)C=C)c(NC(=O)c3ccc(s3)-c3cnco3)nc2c1 |r,wU:10.9,12.12,(-6.81,6.89,;-6.81,5.35,;-8.15,4.58,;-9.48,5.35,;-8.15,3.04,;-5.48,4.58,;-5.48,3.04,;-4.15,2.27,;-2.81,3.04,;-1.35,2.57,;-.95,1.08,;.38,.31,;-.39,-1.03,;-1.72,-.26,;1.08,-1.5,;1.08,-3.04,;-.39,-3.52,;-1.29,-2.27,;-.78,-5.01,;.3,-6.09,;-2.27,-5.4,;-2.67,-6.89,;-.44,3.81,;1.1,3.81,;1.87,5.14,;1.1,6.48,;3.41,5.14,;4.31,6.39,;5.78,5.91,;5.78,4.37,;4.31,3.9,;7.11,3.6,;8.58,4.08,;9.48,2.83,;8.58,1.59,;7.11,2.06,;-1.35,5.06,;-2.81,4.58,;-4.15,5.35,)|

BDBM458162

CC(C)C(=O)N(C)c1ccc2n([C@H]3C[C@]4(C3)CCN(C4)C(=O)C=C)c(NC(=O)c3ccc(s3)-c3cnco3)nc2c1 |r,wU:12.11,14.14,(-10.15,4.58,;-8.81,5.35,;-8.81,6.89,;-7.48,4.58,;-7.48,3.04,;-6.15,5.35,;-6.15,6.89,;-4.81,4.58,;-4.81,3.04,;-3.48,2.27,;-2.15,3.04,;-.68,2.57,;-.28,1.08,;1.05,.31,;.28,-1.03,;-1.05,-.26,;1.75,-1.5,;1.75,-3.04,;.28,-3.52,;-.62,-2.27,;-.12,-5.01,;.97,-6.09,;-1.6,-5.4,;-2,-6.89,;.22,3.81,;1.76,3.81,;2.53,5.14,;1.76,6.48,;4.07,5.14,;4.98,6.39,;6.44,5.91,;6.44,4.37,;4.98,3.9,;7.78,3.6,;9.24,4.08,;10.15,2.83,;9.24,1.59,;7.78,2.06,;-.68,5.06,;-2.15,4.58,;-3.48,5.35,)|

BDBM458163

COc1ccc(cn1)C(=O)Nc1nc2ccccc2n1[C@H]1C[C@]2(C1)CCN(C2)C(=O)C=C |r,wU:20.22,22.25,(7.14,6.68,;6.37,5.35,;4.83,5.35,;4.06,4.02,;2.52,4.02,;1.75,5.35,;2.52,6.68,;4.06,6.68,;.21,5.35,;-.56,6.68,;-.56,4.02,;-2.1,4.02,;-3.01,5.26,;-4.47,4.79,;-5.8,5.56,;-7.14,4.79,;-7.14,3.25,;-5.8,2.48,;-4.47,3.25,;-3.01,2.77,;-2.61,1.28,;-1.27,.51,;-2.04,-.82,;-3.38,-.05,;-.58,-1.3,;-.58,-2.84,;-2.04,-3.31,;-2.95,-2.07,;-2.44,-4.8,;-1.35,-5.89,;-3.93,-5.2,;-4.33,-6.68,)|

BDBM458164

Fc1cccc2nc(NC(=O)c3ccc(s3)-c3cnco3)n([C@H]3C[C@]4(C3)CCN(C4)C(=O)C=C)c12 |r,wU:22.23,24.26,(-6.15,.94,;-6.15,2.48,;-7.48,3.25,;-7.48,4.79,;-6.15,5.56,;-4.81,4.79,;-3.35,5.26,;-2.44,4.02,;-.9,4.02,;-.13,5.35,;-.9,6.68,;1.41,5.35,;2.31,6.6,;3.78,6.12,;3.78,4.58,;2.31,4.11,;5.11,3.81,;6.58,4.29,;7.48,3.04,;6.58,1.8,;5.11,2.27,;-3.35,2.77,;-2.95,1.28,;-1.62,.51,;-2.39,-.82,;-3.72,-.05,;-.92,-1.3,;-.92,-2.84,;-2.39,-3.31,;-3.29,-2.07,;-2.78,-4.8,;-1.7,-5.89,;-4.27,-5.2,;-4.67,-6.68,;-4.81,3.25,)|

BDBM50458589

Fc1ccc2n([C@H]3C[C@]4(C3)CCN(C4)C(=O)C=C)c(NC(=O)c3ccc(s3)-c3cnco3)nc2c1 |r,wU:8.10,6.5,(6.64,-6.08,;7.97,-6.84,;7.97,-8.39,;9.3,-9.16,;10.64,-8.39,;12.12,-8.86,;12.6,-10.32,;13.98,-11.01,;13.28,-12.39,;11.91,-11.7,;14.79,-12.72,;14.94,-14.25,;13.53,-14.87,;12.5,-13.72,;13.2,-16.38,;14.34,-17.41,;11.73,-16.84,;11.4,-18.35,;13.03,-7.6,;14.57,-7.59,;15.33,-6.25,;14.55,-4.92,;16.86,-6.24,;17.75,-4.98,;19.21,-5.45,;19.23,-6.98,;17.77,-7.47,;20.47,-7.87,;21.93,-7.39,;22.84,-8.62,;21.95,-9.87,;20.49,-9.4,;12.11,-6.35,;10.63,-6.84,;9.3,-6.07,)|

BDBM458166

Fc1ccc2nc(NC(=O)c3ccc(s3)-c3cnco3)n([C@H]3C[C@]4(C3)CCN(C4)C(=O)C=C)c2c1 |r,wU:21.22,23.25,(-8.15,2.48,;-6.81,3.25,;-6.81,4.79,;-5.48,5.56,;-4.15,4.79,;-2.68,5.26,;-1.78,4.02,;-.24,4.02,;.53,5.35,;-.24,6.68,;2.07,5.35,;2.98,6.6,;4.44,6.12,;4.44,4.58,;2.98,4.11,;5.78,3.81,;7.24,4.29,;8.15,3.04,;7.24,1.8,;5.78,2.27,;-2.68,2.77,;-2.28,1.28,;-.95,.51,;-1.72,-.82,;-3.05,-.05,;-.25,-1.3,;-.25,-2.84,;-1.72,-3.31,;-2.62,-2.07,;-2.12,-4.8,;-1.03,-5.89,;-3.61,-5.2,;-4,-6.68,;-4.15,3.25,;-5.48,2.48,)|

BDBM458167

C[C@H](N1CCOCC1)C(=O)N(C)c1ccc2n([C@H]3C[C@]4(C3)CCN(C4)C(=O)C=C)c(NC(=O)c3ccc(s3)-c3cnco3)nc2c1 |r,wU:17.17,19.20,1.0,(-7.48,6.89,;-7.48,5.35,;-8.81,4.58,;-10.15,5.35,;-11.48,4.58,;-11.48,3.04,;-10.15,2.27,;-8.81,3.04,;-6.15,4.58,;-6.15,3.04,;-4.81,5.35,;-4.81,6.89,;-3.48,4.58,;-3.48,3.04,;-2.15,2.27,;-.81,3.04,;.65,2.57,;1.05,1.08,;2.39,.31,;1.62,-1.03,;.28,-.26,;3.08,-1.5,;3.08,-3.04,;1.62,-3.52,;.71,-2.27,;1.22,-5.01,;2.31,-6.09,;-.27,-5.4,;-.67,-6.89,;1.56,3.81,;3.1,3.81,;3.87,5.14,;3.1,6.48,;5.41,5.14,;6.31,6.39,;7.78,5.91,;7.78,4.37,;6.31,3.9,;9.11,3.6,;10.58,4.08,;11.48,2.83,;10.58,1.59,;9.11,2.06,;.65,5.06,;-.81,4.58,;-2.15,5.35,)|

BDBM458168

CN(C(=O)C1CCCCC1)c1ccc2n([C@H]3C[C@]4(C3)CCN(C4)C(=O)C=C)c(NC(=O)c3ccc(s3)-c3cnco3)nc2c1 |r,wU:15.15,17.18,(-5.48,6.51,;-5.48,4.97,;-6.81,4.2,;-6.81,2.66,;-8.15,4.97,;-8.15,6.51,;-9.48,7.28,;-10.81,6.51,;-10.81,4.97,;-9.48,4.2,;-4.15,4.2,;-4.15,2.66,;-2.81,1.89,;-1.48,2.66,;-.01,2.18,;.38,.69,;1.72,-.08,;.95,-1.41,;-.39,-.64,;2.41,-1.89,;2.41,-3.43,;.95,-3.9,;.04,-2.66,;.55,-5.39,;1.64,-6.48,;-.94,-5.79,;-1.34,-7.28,;.89,3.43,;2.43,3.43,;3.2,4.76,;2.43,6.09,;4.74,4.76,;5.65,6.01,;7.11,5.53,;7.11,3.99,;5.65,3.51,;8.44,3.22,;9.91,3.7,;10.81,2.45,;9.91,1.2,;8.44,1.68,;-.01,4.67,;-1.48,4.2,;-2.81,4.97,)|

BDBM458169

Fc1cccc2n([C@H]3C[C@]4(C3)CCN(C4)C(=O)C=C)c(NC(=O)c3ccc(s3)-c3cnco3)nc12 |r,wU:7.6,9.9,(-6.15,6.89,;-6.15,5.35,;-7.48,4.58,;-7.48,3.04,;-6.15,2.27,;-4.81,3.04,;-3.35,2.57,;-2.95,1.08,;-1.62,.31,;-2.39,-1.03,;-3.72,-.26,;-.92,-1.5,;-.92,-3.04,;-2.39,-3.52,;-3.29,-2.27,;-2.78,-5.01,;-1.7,-6.09,;-4.27,-5.4,;-4.67,-6.89,;-2.44,3.81,;-.9,3.81,;-.13,5.14,;-.9,6.48,;1.41,5.14,;2.31,6.39,;3.78,5.91,;3.78,4.37,;2.31,3.9,;5.11,3.6,;6.58,4.08,;7.48,2.83,;6.58,1.59,;5.11,2.06,;-3.35,5.06,;-4.81,4.58,)|

BDBM458170

Fc1cccc2nc(NC(=O)c3ccc(s3)-c3cnco3)n([C@H]3C[C@@]4(C3)CCN(C4)C(=O)C=C)c12 |r,wU:22.23,wD:24.26,(-6.15,.94,;-6.15,2.48,;-7.48,3.25,;-7.48,4.79,;-6.15,5.56,;-4.81,4.79,;-3.35,5.26,;-2.44,4.02,;-.9,4.02,;-.13,5.35,;-.9,6.68,;1.41,5.35,;2.31,6.6,;3.78,6.12,;3.78,4.58,;2.31,4.11,;5.11,3.81,;6.58,4.29,;7.48,3.04,;6.58,1.8,;5.11,2.27,;-3.35,2.77,;-2.95,1.28,;-1.62,.51,;-2.39,-.82,;-3.72,-.05,;-.92,-1.3,;-.92,-2.84,;-2.39,-3.31,;-3.29,-2.07,;-2.78,-4.8,;-1.7,-5.89,;-4.27,-5.2,;-4.67,-6.68,;-4.81,3.25,)|

BDBM458171

Clc1ccc2n([C@H]3C[C@]4(C3)CCN(C4)C(=O)C=C)c(NC(=O)c3ccc(s3)-c3cnco3)nc2c1 |r,wU:6.5,8.8,(-8.15,5.56,;-6.81,4.79,;-6.81,3.25,;-5.48,2.48,;-4.15,3.25,;-2.68,2.77,;-2.28,1.28,;-.95,.51,;-1.72,-.82,;-3.05,-.05,;-.25,-1.3,;-.25,-2.84,;-1.72,-3.31,;-2.62,-2.07,;-2.12,-4.8,;-1.03,-5.89,;-3.61,-5.2,;-4,-6.68,;-1.78,4.02,;-.24,4.02,;.53,5.35,;-.24,6.68,;2.07,5.35,;2.98,6.6,;4.44,6.12,;4.44,4.58,;2.98,4.11,;5.78,3.81,;7.24,4.29,;8.15,3.04,;7.24,1.8,;5.78,2.27,;-2.68,5.26,;-4.15,4.79,;-5.48,5.56,)|

BDBM458172

Clc1cccc2n([C@H]3C[C@]4(C3)CCN(C4)C(=O)C=C)c(NC(=O)c3ccc(s3)-c3cnco3)nc12 |r,wU:7.6,9.9,(-6.15,6.89,;-6.15,5.35,;-7.48,4.58,;-7.48,3.04,;-6.15,2.27,;-4.81,3.04,;-3.35,2.57,;-2.95,1.08,;-1.62,.31,;-2.39,-1.03,;-3.72,-.26,;-.92,-1.5,;-.92,-3.04,;-2.39,-3.52,;-3.29,-2.27,;-2.78,-5.01,;-1.7,-6.09,;-4.27,-5.4,;-4.67,-6.89,;-2.44,3.81,;-.9,3.81,;-.13,5.14,;-.9,6.48,;1.41,5.14,;2.31,6.39,;3.78,5.91,;3.78,4.37,;2.31,3.9,;5.11,3.6,;6.58,4.08,;7.48,2.83,;6.58,1.59,;5.11,2.06,;-3.35,5.06,;-4.81,4.58,)|

BDBM458173

Clc1ccc2nc(NC(=O)c3ccc(s3)-c3cnco3)n([C@H]3C[C@]4(C3)CCN(C4)C(=O)C=C)c2c1 |r,wU:21.22,23.25,(-8.15,2.48,;-6.81,3.25,;-6.81,4.79,;-5.48,5.56,;-4.15,4.79,;-2.68,5.26,;-1.78,4.02,;-.24,4.02,;.53,5.35,;-.24,6.68,;2.07,5.35,;2.98,6.6,;4.44,6.12,;4.44,4.58,;2.98,4.11,;5.78,3.81,;7.24,4.29,;8.15,3.04,;7.24,1.8,;5.78,2.27,;-2.68,2.77,;-2.28,1.28,;-.95,.51,;-1.72,-.82,;-3.05,-.05,;-.25,-1.3,;-.25,-2.84,;-1.72,-3.31,;-2.62,-2.07,;-2.12,-4.8,;-1.03,-5.89,;-3.61,-5.2,;-4,-6.68,;-4.15,3.25,;-5.48,2.48,)|

BDBM458174

C=CC(=O)N1CC[C@@]2(C[C@@H](C2)n2c(NC(=O)c3ccc(Oc4ccccc4)nc3)nc3ccccc23)C1 |r,wU:9.11,7.10,(-5.48,-6.68,;-5.09,-5.2,;-3.6,-4.8,;-2.51,-5.89,;-3.2,-3.31,;-1.73,-2.84,;-1.73,-1.3,;-3.2,-.82,;-2.43,.51,;-3.76,1.28,;-4.53,-.05,;-4.16,2.77,;-3.26,4.02,;-1.72,4.02,;-.95,5.35,;-1.72,6.68,;.59,5.35,;1.36,4.02,;2.9,4.02,;3.67,5.35,;5.21,5.35,;5.98,4.02,;5.21,2.68,;5.98,1.35,;7.52,1.35,;8.29,2.68,;7.52,4.02,;2.9,6.68,;1.36,6.68,;-4.16,5.26,;-5.63,4.79,;-6.96,5.56,;-8.29,4.79,;-8.29,3.25,;-6.96,2.48,;-5.63,3.25,;-4.1,-2.07,)|

BDBM458175

Fc1cccc2n([C@H]3C[C@@]4(C3)CCN(C4)C(=O)C=C)c(NC(=O)c3ccc(s3)-c3cnco3)nc12 |r,wU:7.6,wD:9.9,(-6.15,6.89,;-6.15,5.35,;-7.48,4.58,;-7.48,3.04,;-6.15,2.27,;-4.81,3.04,;-3.35,2.57,;-2.95,1.08,;-1.62,.31,;-2.39,-1.03,;-3.72,-.26,;-.92,-1.5,;-.92,-3.04,;-2.39,-3.52,;-3.29,-2.27,;-2.78,-5.01,;-1.7,-6.09,;-4.27,-5.4,;-4.67,-6.89,;-2.44,3.81,;-.9,3.81,;-.13,5.14,;-.9,6.48,;1.41,5.14,;2.31,6.39,;3.78,5.91,;3.78,4.37,;2.31,3.9,;5.11,3.6,;6.58,4.08,;7.48,2.83,;6.58,1.59,;5.11,2.06,;-3.35,5.06,;-4.81,4.58,)|

BDBM458176

Fc1ccc2n([C@H]3C[C@@]4(C3)CCN(C4)C(=O)C=C)c(NC(=O)c3ccc(s3)-c3cnco3)nc2c1 |r,wU:6.5,wD:8.8,(-8.15,5.56,;-6.81,4.79,;-6.81,3.25,;-5.48,2.48,;-4.15,3.25,;-2.68,2.77,;-2.28,1.28,;-.95,.51,;-1.72,-.82,;-3.05,-.05,;-.25,-1.3,;-.25,-2.84,;-1.72,-3.31,;-2.62,-2.07,;-2.12,-4.8,;-1.03,-5.89,;-3.61,-5.2,;-4,-6.68,;-1.78,4.02,;-.24,4.02,;.53,5.35,;-.24,6.68,;2.07,5.35,;2.98,6.6,;4.44,6.12,;4.44,4.58,;2.98,4.11,;5.78,3.81,;7.24,4.29,;8.15,3.04,;7.24,1.8,;5.78,2.27,;-2.68,5.26,;-4.15,4.79,;-5.48,5.56,)|

BDBM458177

Clc1ccc2nc(NC(=O)c3ccc(s3)-c3cnco3)n([C@H]3C[C@@]4(C3)CCN(C4)C(=O)C=C)c2c1 |r,wU:21.22,wD:23.25,(-8.15,2.48,;-6.81,3.25,;-6.81,4.79,;-5.48,5.56,;-4.15,4.79,;-2.68,5.26,;-1.78,4.02,;-.24,4.02,;.53,5.35,;-.24,6.68,;2.07,5.35,;2.98,6.6,;4.44,6.12,;4.44,4.58,;2.98,4.11,;5.78,3.81,;7.24,4.29,;8.15,3.04,;7.24,1.8,;5.78,2.27,;-2.68,2.77,;-2.28,1.28,;-.95,.51,;-1.72,-.82,;-3.05,-.05,;-.25,-1.3,;-.25,-2.84,;-1.72,-3.31,;-2.62,-2.07,;-2.12,-4.8,;-1.03,-5.89,;-3.61,-5.2,;-4,-6.68,;-4.15,3.25,;-5.48,2.48,)|

BDBM458178

Fc1ccc2nc(NC(=O)c3ccc(s3)-c3cnco3)n([C@H]3C[C@@]4(C3)CCN(C4)C(=O)C=C)c2c1 |r,wU:21.22,wD:23.25,(-8.15,2.48,;-6.81,3.25,;-6.81,4.79,;-5.48,5.56,;-4.15,4.79,;-2.68,5.26,;-1.78,4.02,;-.24,4.02,;.53,5.35,;-.24,6.68,;2.07,5.35,;2.98,6.6,;4.44,6.12,;4.44,4.58,;2.98,4.11,;5.78,3.81,;7.24,4.29,;8.15,3.04,;7.24,1.8,;5.78,2.27,;-2.68,2.77,;-2.28,1.28,;-.95,.51,;-1.72,-.82,;-3.05,-.05,;-.25,-1.3,;-.25,-2.84,;-1.72,-3.31,;-2.62,-2.07,;-2.12,-4.8,;-1.03,-5.89,;-3.61,-5.2,;-4,-6.68,;-4.15,3.25,;-5.48,2.48,)|

BDBM458179

Clc1ccc2n([C@H]3C[C@@]4(C3)CCN(C4)C(=O)C=C)c(NC(=O)c3ccc(s3)-c3cnco3)nc2c1 |r,wU:6.5,wD:8.8,(-8.15,5.56,;-6.81,4.79,;-6.81,3.25,;-5.48,2.48,;-4.15,3.25,;-2.68,2.77,;-2.28,1.28,;-.95,.51,;-1.72,-.82,;-3.05,-.05,;-.25,-1.3,;-.25,-2.84,;-1.72,-3.31,;-2.62,-2.07,;-2.12,-4.8,;-1.03,-5.89,;-3.61,-5.2,;-4,-6.68,;-1.78,4.02,;-.24,4.02,;.53,5.35,;-.24,6.68,;2.07,5.35,;2.98,6.6,;4.44,6.12,;4.44,4.58,;2.98,4.11,;5.78,3.81,;7.24,4.29,;8.15,3.04,;7.24,1.8,;5.78,2.27,;-2.68,5.26,;-4.15,4.79,;-5.48,5.56,)|

BDBM458180

OCc1ccc2nc(NC(=O)c3ccc(s3)-c3cnco3)n([C@H]3C[C@]4(C3)CCN(C4)C(=O)C=C)c2c1 |r,wU:22.23,24.26,(-8.81,3.25,;-7.48,2.48,;-6.15,3.25,;-6.15,4.79,;-4.81,5.56,;-3.48,4.79,;-2.01,5.26,;-1.11,4.02,;.43,4.02,;1.2,5.35,;.43,6.68,;2.74,5.35,;3.65,6.6,;5.11,6.12,;5.11,4.58,;3.65,4.11,;6.44,3.81,;7.91,4.29,;8.81,3.04,;7.91,1.8,;6.44,2.27,;-2.01,2.77,;-1.62,1.28,;-.28,.51,;-1.05,-.82,;-2.39,-.05,;.41,-1.3,;.41,-2.84,;-1.05,-3.31,;-1.96,-2.07,;-1.45,-4.8,;-.36,-5.89,;-2.94,-5.2,;-3.34,-6.68,;-3.48,3.25,;-4.81,2.48,)|

BDBM458181

C=CC(=O)N1CC[C@@]2(C[C@@H](C2)n2c(NC(=O)c3ccc(s3)-c3ccccn3)nc3ccccc23)C1 |r,wU:9.11,7.10,(-4.82,-6.68,;-4.42,-5.2,;-2.93,-4.8,;-1.84,-5.89,;-2.53,-3.31,;-1.07,-2.84,;-1.07,-1.3,;-2.53,-.82,;-1.76,.51,;-3.1,1.28,;-3.87,-.05,;-3.5,2.77,;-2.59,4.02,;-1.05,4.02,;-.28,5.35,;-1.05,6.68,;1.26,5.35,;2.16,6.6,;3.63,6.12,;3.63,4.58,;2.16,4.11,;4.96,3.81,;4.96,2.27,;6.3,1.5,;7.63,2.27,;7.63,3.81,;6.3,4.58,;-3.5,5.26,;-4.96,4.79,;-6.3,5.56,;-7.63,4.79,;-7.63,3.25,;-6.3,2.48,;-4.96,3.25,;-3.44,-2.07,)|

BDBM458182

Cn1nccc1-c1ccc(s1)C(=O)Nc1nc2ccccc2n1[C@H]1C[C@]2(C1)CCN(C2)C(=O)C=C |r,wU:23.26,25.29,(3.78,1.5,;5.11,2.27,;6.58,1.8,;7.48,3.04,;6.58,4.29,;5.11,3.81,;3.78,4.58,;3.78,6.12,;2.31,6.6,;1.41,5.35,;2.31,4.11,;-.13,5.35,;-.9,6.68,;-.9,4.02,;-2.44,4.02,;-3.35,5.26,;-4.81,4.79,;-6.15,5.56,;-7.48,4.79,;-7.48,3.25,;-6.15,2.48,;-4.81,3.25,;-3.35,2.77,;-2.95,1.28,;-1.62,.51,;-2.39,-.82,;-3.72,-.05,;-.92,-1.3,;-.92,-2.84,;-2.39,-3.31,;-3.29,-2.07,;-2.78,-4.8,;-1.7,-5.89,;-4.27,-5.2,;-4.67,-6.68,)|

BDBM458183

C=CC(=O)N1CC[C@@]2(C[C@@H](C2)n2c(NC(=O)c3ccc(s3)-c3cccnn3)nc3ccccc23)C1 |r,wU:9.11,7.10,(-4.82,-6.68,;-4.42,-5.2,;-2.93,-4.8,;-1.84,-5.89,;-2.53,-3.31,;-1.07,-2.84,;-1.07,-1.3,;-2.53,-.82,;-1.76,.51,;-3.1,1.28,;-3.87,-.05,;-3.5,2.77,;-2.59,4.02,;-1.05,4.02,;-.28,5.35,;-1.05,6.68,;1.26,5.35,;2.16,6.6,;3.63,6.12,;3.63,4.58,;2.16,4.11,;4.96,3.81,;4.96,2.27,;6.3,1.5,;7.63,2.27,;7.63,3.81,;6.3,4.58,;-3.5,5.26,;-4.96,4.79,;-6.3,5.56,;-7.63,4.79,;-7.63,3.25,;-6.3,2.48,;-4.96,3.25,;-3.44,-2.07,)|

BDBM458184

C=CC(=O)N1CC[C@@]2(C[C@@H](C2)n2c(NC(=O)c3ccc(s3)-c3cnco3)nc3ccc(CN4CCOCC4)cc23)C1 |r,wU:9.11,7.10,(-2,-6.68,;-1.6,-5.2,;-.12,-4.8,;.97,-5.89,;.28,-3.31,;1.75,-2.84,;1.75,-1.3,;.28,-.82,;1.05,.51,;-.28,1.28,;-1.05,-.05,;-.68,2.77,;.22,4.02,;1.76,4.02,;2.53,5.35,;1.76,6.68,;4.07,5.35,;4.98,6.6,;6.44,6.12,;6.44,4.58,;4.98,4.11,;7.78,3.81,;9.24,4.29,;10.15,3.04,;9.24,1.8,;7.78,2.27,;-.68,5.26,;-2.15,4.79,;-3.48,5.56,;-4.81,4.79,;-4.81,3.25,;-6.15,2.48,;-7.48,3.25,;-7.48,4.79,;-8.81,5.56,;-10.15,4.79,;-10.15,3.25,;-8.81,2.48,;-3.48,2.48,;-2.15,3.25,;-.62,-2.07,)|

BDBM458185

OCc1ccc2nc(NC(=O)c3ccc(s3)-c3cnco3)n([C@H]3C[C@@]4(C3)CCN(C4)C(=O)C=C)c2c1 |r,wU:22.23,wD:24.26,(-8.81,3.25,;-7.48,2.48,;-6.15,3.25,;-6.15,4.79,;-4.81,5.56,;-3.48,4.79,;-2.01,5.26,;-1.11,4.02,;.43,4.02,;1.2,5.35,;.43,6.68,;2.74,5.35,;3.65,6.6,;5.11,6.12,;5.11,4.58,;3.65,4.11,;6.44,3.81,;7.91,4.29,;8.81,3.04,;7.91,1.8,;6.44,2.27,;-2.01,2.77,;-1.62,1.28,;-.28,.51,;-1.05,-.82,;-2.39,-.05,;.41,-1.3,;.41,-2.84,;-1.05,-3.31,;-1.96,-2.07,;-1.45,-4.8,;-.36,-5.89,;-2.94,-5.2,;-3.34,-6.68,;-3.48,3.25,;-4.81,2.48,)|

BDBM458186

Cc1csc(c1)C(=O)Nc1nc2ccccc2n1[C@H]1C[C@]2(C1)CCN(C2)C(=O)C=C |r,wU:18.20,20.23,(6.3,6.79,;4.96,6.02,;4.96,4.48,;3.5,4,;2.59,5.25,;3.5,6.49,;1.05,5.25,;.28,6.58,;.28,3.91,;-1.26,3.91,;-2.16,5.16,;-3.63,4.68,;-4.96,5.45,;-6.3,4.68,;-6.3,3.14,;-4.96,2.37,;-3.63,3.14,;-2.16,2.67,;-1.76,1.18,;-.43,.41,;-1.2,-.92,;-2.53,-.15,;.26,-1.4,;.26,-2.94,;-1.2,-3.41,;-2.11,-2.17,;-1.6,-4.9,;-.51,-5.99,;-3.09,-5.3,;-3.49,-6.79,)|

BDBM458187

C=CC(=O)N1CC[C@@]2(C[C@@H](C2)n2c(NC(=O)c3cccs3)nc3ccccc23)C1 |r,wU:9.11,7.10,(-2.82,-6.68,;-2.42,-5.2,;-.93,-4.8,;.16,-5.89,;-.53,-3.31,;.93,-2.84,;.93,-1.3,;-.53,-.82,;.24,.51,;-1.1,1.28,;-1.87,-.05,;-1.5,2.77,;-.59,4.02,;.95,4.02,;1.72,5.35,;.95,6.68,;3.26,5.35,;4.16,6.6,;5.63,6.12,;5.63,4.58,;4.16,4.11,;-1.5,5.26,;-2.96,4.79,;-4.29,5.56,;-5.63,4.79,;-5.63,3.25,;-4.29,2.48,;-2.96,3.25,;-1.44,-2.07,)|

BDBM458188

C=CC(=O)N1CC[C@@]2(C[C@@H](C2)n2c(NC(=O)c3ccc(=O)[nH]c3)nc3ccccc23)C1 |r,wU:9.11,7.10,(-3.94,-6.68,;-3.55,-5.2,;-2.06,-4.8,;-.97,-5.89,;-1.66,-3.31,;-.19,-2.84,;-.19,-1.3,;-1.66,-.82,;-.89,.51,;-2.22,1.28,;-2.99,-.05,;-2.62,2.77,;-1.72,4.02,;-.18,4.02,;.59,5.35,;-.18,6.68,;2.13,5.35,;2.9,6.68,;4.44,6.68,;5.21,5.35,;6.75,5.35,;4.44,4.02,;2.9,4.02,;-2.62,5.26,;-4.09,4.79,;-5.42,5.56,;-6.75,4.79,;-6.75,3.25,;-5.42,2.48,;-4.09,3.25,;-2.56,-2.07,)|

BDBM458189

Cn1ccc(cc1=O)C(=O)Nc1nc2ccccc2n1[C@H]1C[C@]2(C1)CCN(C2)C(=O)C=C |r,wU:20.22,22.25,(6.75,5.35,;5.21,5.35,;4.44,6.68,;2.9,6.68,;2.13,5.35,;2.9,4.02,;4.44,4.02,;5.21,2.68,;.59,5.35,;-.18,6.68,;-.18,4.02,;-1.72,4.02,;-2.62,5.26,;-4.09,4.79,;-5.42,5.56,;-6.75,4.79,;-6.75,3.25,;-5.42,2.48,;-4.09,3.25,;-2.62,2.77,;-2.22,1.28,;-.89,.51,;-1.66,-.82,;-2.99,-.05,;-.19,-1.3,;-.19,-2.84,;-1.66,-3.31,;-2.56,-2.07,;-2.06,-4.8,;-.97,-5.89,;-3.55,-5.2,;-3.94,-6.68,)|

BDBM458190

C=CC(=O)N1CC[C@@]2(C[C@@H](C2)n2c(NC(=O)c3ccc(s3)C(=O)Nc3cccnc3)nc3ccccc23)C1 |r,wU:9.11,7.10,(-5.94,-6.68,;-5.54,-5.2,;-4.05,-4.8,;-2.96,-5.89,;-3.66,-3.31,;-2.19,-2.84,;-2.19,-1.3,;-3.66,-.82,;-2.89,.51,;-4.22,1.28,;-4.99,-.05,;-4.62,2.77,;-3.71,4.02,;-2.17,4.02,;-1.4,5.35,;-2.17,6.68,;.14,5.35,;1.04,6.6,;2.51,6.12,;2.51,4.58,;1.04,4.11,;3.6,3.49,;3.2,2,;5.08,3.89,;6.17,2.8,;5.77,1.31,;6.86,.23,;8.35,.62,;8.75,2.11,;7.66,3.2,;-4.62,5.26,;-6.08,4.79,;-7.42,5.56,;-8.75,4.79,;-8.75,3.25,;-7.42,2.48,;-6.08,3.25,;-4.56,-2.07,)|

BDBM458191

C=CC(=O)N1CC[C@]2(C[C@@H](C2)n2c(NC(=O)c3ccc(s3)-c3cnco3)nc3ccc(CN4CCCC4)cc23)C1 |r,wU:9.11,wD:7.10,(-2.15,-6.68,;-1.75,-5.2,;-.27,-4.8,;.82,-5.89,;.13,-3.31,;1.6,-2.84,;1.6,-1.3,;.13,-.82,;.9,.51,;-.43,1.28,;-1.2,-.05,;-.83,2.77,;.08,4.02,;1.62,4.02,;2.39,5.35,;1.62,6.68,;3.93,5.35,;4.83,6.6,;6.3,6.12,;6.3,4.58,;4.83,4.11,;7.63,3.81,;9.09,4.29,;10,3.04,;9.09,1.8,;7.63,2.27,;-.83,5.26,;-2.29,4.79,;-3.63,5.56,;-4.96,4.79,;-4.96,3.25,;-6.3,2.48,;-7.63,3.25,;-7.63,4.79,;-9.09,5.26,;-10,4.02,;-9.09,2.77,;-3.63,2.48,;-2.29,3.25,;-.77,-2.07,)|

BDBM458192

COc1cccc2n([C@H]3C[C@]4(C3)CCN(C4)C(=O)C=C)c(NC(=O)c3ccc(s3)-c3cnco3)nc12 |r,wU:8.7,10.10,(-4.81,7.28,;-6.15,6.51,;-6.15,4.97,;-7.48,4.2,;-7.48,2.66,;-6.15,1.89,;-4.81,2.66,;-3.35,2.18,;-2.95,.69,;-1.62,-.08,;-2.39,-1.41,;-3.72,-.64,;-.92,-1.89,;-.92,-3.43,;-2.39,-3.9,;-3.29,-2.66,;-2.78,-5.39,;-1.7,-6.48,;-4.27,-5.79,;-4.67,-7.28,;-2.44,3.43,;-.9,3.43,;-.13,4.76,;-.9,6.09,;1.41,4.76,;2.31,6.01,;3.78,5.53,;3.78,3.99,;2.31,3.51,;5.11,3.22,;6.58,3.7,;7.48,2.45,;6.58,1.2,;5.11,1.68,;-3.35,4.67,;-4.81,4.2,)|

BDBM458193

C=CC(=O)N1CC[C@@]2(C[C@@H](C2)n2c(NC(=O)c3ccc(s3)-n3cccn3)nc3ccccc23)C1 |r,wU:9.11,7.10,(-4.67,-6.68,;-4.27,-5.2,;-2.78,-4.8,;-1.7,-5.89,;-2.39,-3.31,;-.92,-2.84,;-.92,-1.3,;-2.39,-.82,;-1.62,.51,;-2.95,1.28,;-3.72,-.05,;-3.35,2.77,;-2.44,4.02,;-.9,4.02,;-.13,5.35,;-.9,6.68,;1.41,5.35,;2.31,6.6,;3.78,6.12,;3.78,4.58,;2.31,4.11,;5.11,3.81,;6.58,4.29,;7.48,3.04,;6.58,1.8,;5.11,2.27,;-3.35,5.26,;-4.81,4.79,;-6.15,5.56,;-7.48,4.79,;-7.48,3.25,;-6.15,2.48,;-4.81,3.25,;-3.29,-2.07,)|

BDBM458194

C=CC(=O)N1CC[C@@]2(C[C@@H](C2)n2c(NC(=O)c3ccc(s3)-c3cccnc3)nc3ccccc23)C1 |r,wU:9.11,7.10,(-4.82,-6.68,;-4.42,-5.2,;-2.93,-4.8,;-1.84,-5.89,;-2.53,-3.31,;-1.07,-2.84,;-1.07,-1.3,;-2.53,-.82,;-1.76,.51,;-3.1,1.28,;-3.87,-.05,;-3.5,2.77,;-2.59,4.02,;-1.05,4.02,;-.28,5.35,;-1.05,6.68,;1.26,5.35,;2.16,6.6,;3.63,6.12,;3.63,4.58,;2.16,4.11,;4.96,3.81,;4.96,2.27,;6.3,1.5,;7.63,2.27,;7.63,3.81,;6.3,4.58,;-3.5,5.26,;-4.96,4.79,;-6.3,5.56,;-7.63,4.79,;-7.63,3.25,;-6.3,2.48,;-4.96,3.25,;-3.44,-2.07,)|

BDBM458195

C=CC(=O)N1CC[C@@]2(C[C@@H](C2)n2c(NC(=O)c3ccc(s3)C(=O)N3CCOCC3)nc3ccccc23)C1 |r,wU:9.11,7.10,(-5.49,-6.79,;-5.09,-5.3,;-3.6,-4.9,;-2.51,-5.99,;-3.2,-3.41,;-1.74,-2.94,;-1.74,-1.4,;-3.2,-.92,;-2.43,.41,;-3.77,1.18,;-4.54,-.15,;-4.16,2.67,;-3.26,3.91,;-1.72,3.91,;-.95,5.25,;-1.72,6.58,;.59,5.25,;1.5,6.49,;2.96,6.02,;2.96,4.48,;1.5,4,;4.29,3.71,;4.29,2.17,;5.63,4.48,;6.96,3.71,;8.3,4.48,;8.3,6.02,;6.96,6.79,;5.63,6.02,;-4.16,5.16,;-5.63,4.68,;-6.96,5.45,;-8.3,4.68,;-8.3,3.14,;-6.96,2.37,;-5.63,3.14,;-4.11,-2.17,)|

BDBM458196

Cc1noc(n1)-c1ccc(s1)C(=O)Nc1nc2ccccc2n1[C@H]1C[C@]2(C1)CCN(C2)C(=O)C=C |r,wU:23.26,25.29,(6.97,.31,;6.58,1.8,;7.48,3.04,;6.58,4.29,;5.11,3.81,;5.11,2.27,;3.78,4.58,;3.78,6.12,;2.31,6.6,;1.41,5.35,;2.31,4.11,;-.13,5.35,;-.9,6.68,;-.9,4.02,;-2.44,4.02,;-3.35,5.26,;-4.81,4.79,;-6.15,5.56,;-7.48,4.79,;-7.48,3.25,;-6.15,2.48,;-4.81,3.25,;-3.35,2.77,;-2.95,1.28,;-1.62,.51,;-2.39,-.82,;-3.72,-.05,;-.92,-1.3,;-.92,-2.84,;-2.39,-3.31,;-3.29,-2.07,;-2.78,-4.8,;-1.7,-5.89,;-4.27,-5.2,;-4.67,-6.68,)|

BDBM458197

Cc1nc(no1)-c1ccc(s1)C(=O)Nc1nc2ccccc2n1[C@H]1C[C@]2(C1)CCN(C2)C(=O)C=C |r,wU:23.26,25.29,(6.97,.31,;6.58,1.8,;5.11,2.27,;5.11,3.81,;6.58,4.29,;7.48,3.04,;3.78,4.58,;3.78,6.12,;2.31,6.6,;1.41,5.35,;2.31,4.11,;-.13,5.35,;-.9,6.68,;-.9,4.02,;-2.44,4.02,;-3.35,5.26,;-4.81,4.79,;-6.15,5.56,;-7.48,4.79,;-7.48,3.25,;-6.15,2.48,;-4.81,3.25,;-3.35,2.77,;-2.95,1.28,;-1.62,.51,;-2.39,-.82,;-3.72,-.05,;-.92,-1.3,;-.92,-2.84,;-2.39,-3.31,;-3.29,-2.07,;-2.78,-4.8,;-1.7,-5.89,;-4.27,-5.2,;-4.67,-6.68,)|

BDBM458198

Cc1nnc(o1)-c1ccc(s1)C(=O)Nc1nc2ccccc2n1[C@H]1C[C@]2(C1)CCN(C2)C(=O)C=C |r,wU:23.26,25.29,(6.97,.31,;6.58,1.8,;7.48,3.04,;6.58,4.29,;5.11,3.81,;5.11,2.27,;3.78,4.58,;3.78,6.12,;2.31,6.6,;1.41,5.35,;2.31,4.11,;-.13,5.35,;-.9,6.68,;-.9,4.02,;-2.44,4.02,;-3.35,5.26,;-4.81,4.79,;-6.15,5.56,;-7.48,4.79,;-7.48,3.25,;-6.15,2.48,;-4.81,3.25,;-3.35,2.77,;-2.95,1.28,;-1.62,.51,;-2.39,-.82,;-3.72,-.05,;-.92,-1.3,;-.92,-2.84,;-2.39,-3.31,;-3.29,-2.07,;-2.78,-4.8,;-1.7,-5.89,;-4.27,-5.2,;-4.67,-6.68,)|

BDBM458199

COc1ccc(cn1)-c1ccc(s1)C(=O)Nc1nc2ccccc2n1[C@H]1C[C@]2(C1)CCN(C2)C(=O)C=C |r,wU:25.28,27.31,(8.97,2.26,;7.64,1.49,;6.31,2.26,;6.31,3.81,;4.95,4.58,;3.62,3.81,;3.62,2.27,;4.96,1.48,;2.28,4.58,;2.28,6.12,;.82,6.6,;-.09,5.35,;.82,4.11,;-1.63,5.35,;-2.4,6.68,;-2.4,4.02,;-3.94,4.02,;-4.84,5.26,;-6.31,4.79,;-7.64,5.56,;-8.97,4.79,;-8.97,3.25,;-7.64,2.48,;-6.31,3.25,;-4.84,2.77,;-4.44,1.28,;-3.11,.51,;-3.88,-.82,;-5.21,-.05,;-2.42,-1.3,;-2.42,-2.84,;-3.88,-3.31,;-4.79,-2.07,;-4.28,-4.8,;-3.19,-5.89,;-5.77,-5.2,;-6.17,-6.68,)|

BDBM458200

COc1cc(ccn1)-c1ccc(s1)C(=O)Nc1nc2ccccc2n1[C@H]1C[C@]2(C1)CCN(C2)C(=O)C=C |r,wU:25.28,27.31,(7.62,-.83,;6.29,-.06,;6.3,1.48,;4.95,2.27,;4.95,3.81,;6.28,4.58,;7.64,3.81,;7.64,2.26,;3.62,4.58,;3.62,6.12,;2.15,6.6,;1.25,5.35,;2.15,4.11,;-.29,5.35,;-1.06,6.68,;-1.06,4.02,;-2.6,4.02,;-3.51,5.26,;-4.97,4.79,;-6.31,5.56,;-7.64,4.79,;-7.64,3.25,;-6.31,2.48,;-4.97,3.25,;-3.51,2.77,;-3.11,1.28,;-1.78,.51,;-2.55,-.82,;-3.88,-.05,;-1.08,-1.3,;-1.08,-2.84,;-2.55,-3.31,;-3.45,-2.07,;-2.94,-4.8,;-1.86,-5.89,;-4.43,-5.2,;-4.83,-6.68,)|

BDBM50458600

C=CC(=O)N1CC[C@@]2(C[C@@H](C2)n2c(NC(=O)c3ccc(s3)-c3cc[nH]c(=O)c3)nc3ccccc23)C1 |r,wU:7.6,9.11,(11.17,-39.5,;11.5,-38,;12.96,-37.53,;14.1,-38.57,;13.29,-36.02,;14.7,-35.41,;14.55,-33.87,;13.05,-33.54,;13.74,-32.16,;12.37,-31.47,;11.68,-32.85,;11.89,-30.01,;12.79,-28.75,;14.33,-28.74,;15.09,-27.41,;14.32,-26.08,;16.63,-27.39,;17.52,-26.14,;18.98,-26.6,;18.99,-28.14,;17.54,-28.62,;20.24,-29.02,;21.64,-28.38,;22.89,-29.29,;22.74,-30.82,;21.33,-31.45,;21.18,-32.99,;20.08,-30.56,;11.87,-27.5,;10.4,-27.99,;9.06,-27.23,;7.74,-28,;7.73,-29.54,;9.07,-30.31,;10.41,-29.54,;12.27,-34.87,)|

BDBM458202

COC(=O)c1ccc(s1)C(=O)Nc1nc2ccccc2n1[C@H]1C[C@]2(C1)CCN(C2)C(=O)C=C |r,wD:21.23,23.26,(-.44,-6.19,;.97,-5.56,;1.13,-4.03,;2.54,-3.4,;-.11,-3.12,;-1.58,-3.6,;-2.48,-2.35,;-1.58,-1.11,;-.11,-1.58,;-2.05,.36,;-1.02,1.5,;-3.56,.68,;-4.04,2.14,;-5.5,2.62,;-5.5,4.16,;-6.65,5.19,;-6.33,6.7,;-4.86,7.17,;-3.72,6.14,;-4.04,4.63,;-3.13,3.39,;-1.59,3.39,;-.5,2.3,;.59,3.39,;-.5,4.48,;1.49,2.14,;2.96,2.62,;2.96,4.16,;1.49,4.63,;4.2,5.06,;4.04,6.6,;5.61,4.44,;6.86,5.34,)|

BDBM458203

C=CC(=O)N1CC[C@@]2(C[C@@H](C2)n2c(NC(=O)c3ccc(s3)-c3ccc(=O)[nH]c3)nc3ccccc23)C1 |r,wU:9.11,7.10,(-5.49,-6.68,;-5.09,-5.2,;-3.6,-4.8,;-2.51,-5.89,;-3.2,-3.31,;-1.74,-2.84,;-1.74,-1.3,;-3.2,-.82,;-2.43,.51,;-3.77,1.28,;-4.54,-.05,;-4.16,2.77,;-3.26,4.02,;-1.72,4.02,;-.95,5.35,;-1.72,6.68,;.59,5.35,;1.5,6.6,;2.96,6.12,;2.96,4.58,;1.5,4.11,;4.29,3.81,;5.63,4.58,;6.96,3.81,;6.96,2.27,;8.3,1.5,;5.63,1.5,;4.29,2.27,;-4.16,5.26,;-5.63,4.79,;-6.96,5.56,;-8.3,4.79,;-8.3,3.25,;-6.96,2.48,;-5.63,3.25,;-4.11,-2.07,)|

BDBM458204

CCNC(=O)c1ccc(s1)C(=O)Nc1nc2ccccc2n1[C@H]1C[C@]2(C1)CCN(C2)C(=O)C=C |r,wU:22.24,24.27,(8.3,4.58,;6.96,3.81,;5.63,4.58,;4.29,3.81,;4.29,2.27,;2.96,4.58,;2.96,6.12,;1.5,6.6,;.59,5.35,;1.5,4.11,;-.95,5.35,;-1.72,6.68,;-1.72,4.02,;-3.26,4.02,;-4.16,5.26,;-5.63,4.79,;-6.96,5.56,;-8.3,4.79,;-8.3,3.25,;-6.96,2.48,;-5.63,3.25,;-4.16,2.77,;-3.77,1.28,;-2.43,.51,;-3.2,-.82,;-4.54,-.05,;-1.74,-1.3,;-1.74,-2.84,;-3.2,-3.31,;-4.11,-2.07,;-3.6,-4.8,;-2.51,-5.89,;-5.09,-5.2,;-5.49,-6.68,)|

BDBM458205

C=CC(=O)N1CC[C@@]2(C[C@@H](C2)n2c(NC(=O)c3ccc(s3)C(=O)N3CCCC3)nc3ccccc23)C1 |r,wU:9.11,7.10,(-5.34,-6.68,;-4.94,-5.2,;-3.45,-4.8,;-2.36,-5.89,;-3.05,-3.31,;-1.59,-2.84,;-1.59,-1.3,;-3.05,-.82,;-2.28,.51,;-3.62,1.28,;-4.39,-.05,;-4.02,2.77,;-3.11,4.02,;-1.57,4.02,;-.8,5.35,;-1.57,6.68,;.74,5.35,;1.65,6.6,;3.11,6.12,;3.11,4.58,;1.65,4.11,;4.44,3.81,;4.44,2.27,;5.78,4.58,;7.24,4.11,;8.15,5.35,;7.24,6.6,;5.78,6.12,;-4.02,5.26,;-5.48,4.79,;-6.81,5.56,;-8.15,4.79,;-8.15,3.25,;-6.81,2.48,;-5.48,3.25,;-3.96,-2.07,)|

BDBM458206

C=CC(=O)N1CC[C@@]2(C[C@@H](C2)n2c(NC(=O)c3ccc(s3)-c3ccccc3)nc3ccccc23)C1 |r,wU:9.11,7.10,(-4.82,-6.68,;-4.42,-5.2,;-2.93,-4.8,;-1.84,-5.89,;-2.53,-3.31,;-1.07,-2.84,;-1.07,-1.3,;-2.53,-.82,;-1.76,.51,;-3.1,1.28,;-3.87,-.05,;-3.5,2.77,;-2.59,4.02,;-1.05,4.02,;-.28,5.35,;-1.05,6.68,;1.26,5.35,;2.16,6.6,;3.63,6.12,;3.63,4.58,;2.16,4.11,;4.96,3.81,;4.96,2.27,;6.3,1.5,;7.63,2.27,;7.63,3.81,;6.3,4.58,;-3.5,5.26,;-4.96,4.79,;-6.3,5.56,;-7.63,4.79,;-7.63,3.25,;-6.3,2.48,;-4.96,3.25,;-3.44,-2.07,)|

BDBM458207

Cc1ccc(s1)C(=O)Nc1nc2ccccc2n1[C@H]1C[C@]2(C1)CCN(C2)C(=O)C=C |r,wU:18.20,20.23,(6.3,3.81,;4.96,4.58,;4.96,6.12,;3.5,6.6,;2.59,5.35,;3.5,4.11,;1.05,5.35,;.28,6.68,;.28,4.02,;-1.26,4.02,;-2.16,5.26,;-3.63,4.79,;-4.96,5.56,;-6.3,4.79,;-6.3,3.25,;-4.96,2.48,;-3.63,3.25,;-2.16,2.77,;-1.76,1.28,;-.43,.51,;-1.2,-.82,;-2.53,-.05,;.26,-1.3,;.26,-2.84,;-1.2,-3.31,;-2.11,-2.07,;-1.6,-4.8,;-.51,-5.89,;-3.09,-5.2,;-3.49,-6.68,)|

BDBM458208

CCC(=O)Nc1ccc(s1)C(=O)Nc1nc2ccccc2n1[C@H]1C[C@]2(C1)CCN(C2)C(=O)C=C |r,wU:22.24,24.27,(8.3,4.58,;6.96,3.81,;5.63,4.58,;5.63,6.12,;4.29,3.81,;2.96,4.58,;2.96,6.12,;1.5,6.6,;.59,5.35,;1.5,4.11,;-.95,5.35,;-1.72,6.68,;-1.72,4.02,;-3.26,4.02,;-4.16,5.26,;-5.63,4.79,;-6.96,5.56,;-8.3,4.79,;-8.3,3.25,;-6.96,2.48,;-5.63,3.25,;-4.16,2.77,;-3.77,1.28,;-2.43,.51,;-3.2,-.82,;-4.54,-.05,;-1.74,-1.3,;-1.74,-2.84,;-3.2,-3.31,;-4.11,-2.07,;-3.6,-4.8,;-2.51,-5.89,;-5.09,-5.2,;-5.49,-6.68,)|

BDBM458209

C=CC(=O)N1CC[C@@]2(C[C@@H](C2)n2c(NC(=O)c3ccc(NC(=O)C4CCCC4)s3)nc3ccccc23)C1 |r,wU:9.11,7.10,(-6,-6.68,;-5.61,-5.2,;-4.12,-4.8,;-3.03,-5.89,;-3.72,-3.31,;-2.26,-2.84,;-2.26,-1.3,;-3.72,-.82,;-2.95,.51,;-4.28,1.28,;-5.05,-.05,;-4.68,2.77,;-3.78,4.02,;-2.24,4.02,;-1.47,5.35,;-2.24,6.68,;.07,5.35,;.98,6.6,;2.44,6.12,;2.44,4.58,;3.78,3.81,;5.11,4.58,;5.11,6.12,;6.44,3.81,;6.44,2.27,;7.91,1.8,;8.81,3.04,;7.91,4.29,;.98,4.11,;-4.68,5.26,;-6.15,4.79,;-7.48,5.56,;-8.81,4.79,;-8.81,3.25,;-7.48,2.48,;-6.15,3.25,;-4.62,-2.07,)|

BDBM458210

C=CC(=O)N1CC[C@@]2(C[C@@H](C2)n2c(NC(=O)c3ccc(s3)C#C)nc3ccccc23)C1 |r,wU:9.11,7.10,(-4.15,-6.68,;-3.75,-5.2,;-2.27,-4.8,;-1.18,-5.89,;-1.87,-3.31,;-.4,-2.84,;-.4,-1.3,;-1.87,-.82,;-1.1,.51,;-2.43,1.28,;-3.2,-.05,;-2.83,2.77,;-1.93,4.02,;-.38,4.02,;.38,5.35,;-.38,6.68,;1.93,5.35,;2.83,6.6,;4.29,6.12,;4.29,4.58,;2.83,4.11,;5.63,3.81,;6.96,3.04,;-2.83,5.26,;-4.29,4.79,;-5.63,5.56,;-6.96,4.79,;-6.96,3.25,;-5.63,2.48,;-4.29,3.25,;-2.77,-2.07,)|

BDBM458211

Cn1cc(ccc1=O)-c1ccc(s1)C(=O)Nc1nc2ccccc2n1[C@H]1C[C@]2(C1)CCN(C2)C(=O)C=C |r,wU:25.28,27.31,(5.63,-.04,;5.63,1.5,;4.29,2.27,;4.29,3.81,;5.63,4.58,;6.96,3.81,;6.96,2.27,;8.3,1.5,;2.96,4.58,;2.96,6.12,;1.5,6.6,;.59,5.35,;1.5,4.11,;-.95,5.35,;-1.72,6.68,;-1.72,4.02,;-3.26,4.02,;-4.16,5.26,;-5.63,4.79,;-6.96,5.56,;-8.3,4.79,;-8.3,3.25,;-6.96,2.48,;-5.63,3.25,;-4.16,2.77,;-3.77,1.28,;-2.43,.51,;-3.2,-.82,;-4.54,-.05,;-1.74,-1.3,;-1.74,-2.84,;-3.2,-3.31,;-4.11,-2.07,;-3.6,-4.8,;-2.51,-5.89,;-5.09,-5.2,;-5.49,-6.68,)|

BDBM458212

Cn1ccc(cc1=O)-c1ccc(s1)C(=O)Nc1nc2ccccc2n1[C@H]1C[C@]2(C1)CCN(C2)C(=O)C=C |r,wU:25.28,27.31,(8.3,1.5,;6.96,2.27,;6.96,3.81,;5.63,4.58,;4.29,3.81,;4.29,2.27,;5.63,1.5,;5.63,-.04,;2.96,4.58,;2.96,6.12,;1.5,6.6,;.59,5.35,;1.5,4.11,;-.95,5.35,;-1.72,6.68,;-1.72,4.02,;-3.26,4.02,;-4.16,5.26,;-5.63,4.79,;-6.96,5.56,;-8.3,4.79,;-8.3,3.25,;-6.96,2.48,;-5.63,3.25,;-4.16,2.77,;-3.77,1.28,;-2.43,.51,;-3.2,-.82,;-4.54,-.05,;-1.74,-1.3,;-1.74,-2.84,;-3.2,-3.31,;-4.11,-2.07,;-3.6,-4.8,;-2.51,-5.89,;-5.09,-5.2,;-5.49,-6.68,)|

BDBM458213

C=CC(=O)N1CC[C@@]2(C[C@@H](C2)n2c(NC(=O)c3ccc(s3)-c3ccncc3)nc3ccccc23)C1 |r,wU:9.11,7.10,(-4.82,-6.68,;-4.42,-5.2,;-2.93,-4.8,;-1.84,-5.89,;-2.53,-3.31,;-1.07,-2.84,;-1.07,-1.3,;-2.53,-.82,;-1.76,.51,;-3.1,1.28,;-3.87,-.05,;-3.5,2.77,;-2.59,4.02,;-1.05,4.02,;-.28,5.35,;-1.05,6.68,;1.26,5.35,;2.16,6.6,;3.63,6.12,;3.63,4.58,;2.16,4.11,;4.96,3.81,;4.96,2.27,;6.3,1.5,;7.63,2.27,;7.63,3.81,;6.3,4.58,;-3.5,5.26,;-4.96,4.79,;-6.3,5.56,;-7.63,4.79,;-7.63,3.25,;-6.3,2.48,;-4.96,3.25,;-3.44,-2.07,)|

BDBM458214

C=CC(=O)N1CC[C@@]2(C[C@@H](C2)n2c(NC(=O)c3ccc(NC(=O)c4cccnc4)s3)nc3ccccc23)C1 |r,wU:9.11,7.10,(-6.15,-6.68,;-5.75,-5.2,;-4.27,-4.8,;-3.18,-5.89,;-3.87,-3.31,;-2.4,-2.84,;-2.4,-1.3,;-3.87,-.82,;-3.1,.51,;-4.43,1.28,;-5.2,-.05,;-4.83,2.77,;-3.93,4.02,;-2.39,4.02,;-1.62,5.35,;-2.39,6.68,;-.08,5.35,;.83,6.6,;2.29,6.12,;2.29,4.58,;3.63,3.81,;4.96,4.58,;4.96,6.12,;6.3,3.81,;7.63,4.58,;8.96,3.81,;8.96,2.27,;7.63,1.5,;6.3,2.27,;.83,4.11,;-4.83,5.26,;-6.3,4.79,;-7.63,5.56,;-8.96,4.79,;-8.96,3.25,;-7.63,2.48,;-6.3,3.25,;-4.77,-2.07,)|

BDBM458215

Cn1cc(cn1)-c1ccc(s1)C(=O)Nc1nc2ccccc2n1[C@H]1C[C@]2(C1)CCN(C2)C(=O)C=C |r,wU:23.26,25.29,(6.97,.31,;6.58,1.8,;5.11,2.27,;5.11,3.81,;6.58,4.29,;7.48,3.04,;3.78,4.58,;3.78,6.12,;2.31,6.6,;1.41,5.35,;2.31,4.11,;-.13,5.35,;-.9,6.68,;-.9,4.02,;-2.44,4.02,;-3.35,5.26,;-4.81,4.79,;-6.15,5.56,;-7.48,4.79,;-7.48,3.25,;-6.15,2.48,;-4.81,3.25,;-3.35,2.77,;-2.95,1.28,;-1.62,.51,;-2.39,-.82,;-3.72,-.05,;-.92,-1.3,;-.92,-2.84,;-2.39,-3.31,;-3.29,-2.07,;-2.78,-4.8,;-1.7,-5.89,;-4.27,-5.2,;-4.67,-6.68,)|

BDBM458216

C=CC(=O)N1CC[C@@]2(C[C@@H](C2)n2c(NC(=O)c3ccc(s3)-c3ccnnc3)nc3ccccc23)C1 |r,wU:9.11,7.10,(-4.82,-6.68,;-4.42,-5.2,;-2.93,-4.8,;-1.84,-5.89,;-2.53,-3.31,;-1.07,-2.84,;-1.07,-1.3,;-2.53,-.82,;-1.76,.51,;-3.1,1.28,;-3.87,-.05,;-3.5,2.77,;-2.59,4.02,;-1.05,4.02,;-.28,5.35,;-1.05,6.68,;1.26,5.35,;2.16,6.6,;3.63,6.12,;3.63,4.58,;2.16,4.11,;4.96,3.81,;4.96,2.27,;6.3,1.5,;7.63,2.27,;7.63,3.81,;6.3,4.58,;-3.5,5.26,;-4.96,4.79,;-6.3,5.56,;-7.63,4.79,;-7.63,3.25,;-6.3,2.48,;-4.96,3.25,;-3.44,-2.07,)|

BDBM458217

Brc1ccc(s1)C(=O)Nc1nc2ccccc2n1[C@H]1C[C@]2(C1)CCN(C2)C(=O)C=C |r,wU:18.20,20.23,(6.3,3.81,;4.96,4.58,;4.96,6.12,;3.5,6.6,;2.59,5.35,;3.5,4.11,;1.05,5.35,;.28,6.68,;.28,4.02,;-1.26,4.02,;-2.16,5.26,;-3.63,4.79,;-4.96,5.56,;-6.3,4.79,;-6.3,3.25,;-4.96,2.48,;-3.63,3.25,;-2.16,2.77,;-1.76,1.28,;-.43,.51,;-1.2,-.82,;-2.53,-.05,;.26,-1.3,;.26,-2.84,;-1.2,-3.31,;-2.11,-2.07,;-1.6,-4.8,;-.51,-5.89,;-3.09,-5.2,;-3.49,-6.68,)|

BDBM458218

C=CC(=O)N1CC[C@@]2(C[C@@H](C2)n2c(NC(=O)c3ccc(s3)-c3cc[nH]n3)nc3ccccc23)C1 |r,wU:9.11,7.10,(-4.67,-6.68,;-4.27,-5.2,;-2.78,-4.8,;-1.7,-5.89,;-2.39,-3.31,;-.92,-2.84,;-.92,-1.3,;-2.39,-.82,;-1.62,.51,;-2.95,1.28,;-3.72,-.05,;-3.35,2.77,;-2.44,4.02,;-.9,4.02,;-.13,5.35,;-.9,6.68,;1.41,5.35,;2.31,6.6,;3.78,6.12,;3.78,4.58,;2.31,4.11,;5.11,3.81,;5.11,2.27,;6.58,1.8,;7.48,3.04,;6.58,4.29,;-3.35,5.26,;-4.81,4.79,;-6.15,5.56,;-7.48,4.79,;-7.48,3.25,;-6.15,2.48,;-4.81,3.25,;-3.29,-2.07,)|

BDBM458219

CNc1ccc(cn1)-c1ccc(s1)C(=O)Nc1nc2ccccc2n1[C@H]1C[C@]2(C1)CCN(C2)C(=O)C=C |r,wU:25.28,27.31,(8.96,2.27,;7.63,1.5,;6.3,2.27,;4.96,1.5,;3.63,2.27,;3.63,3.81,;4.96,4.58,;6.3,3.81,;2.29,4.58,;2.29,6.12,;.83,6.6,;-.08,5.35,;.83,4.11,;-1.62,5.35,;-2.39,6.68,;-2.39,4.02,;-3.93,4.02,;-4.83,5.26,;-6.3,4.79,;-7.63,5.56,;-8.96,4.79,;-8.96,3.25,;-7.63,2.48,;-6.3,3.25,;-4.83,2.77,;-4.43,1.28,;-3.1,.51,;-3.87,-.82,;-5.2,-.05,;-2.4,-1.3,;-2.4,-2.84,;-3.87,-3.31,;-4.77,-2.07,;-4.27,-4.8,;-3.18,-5.89,;-5.75,-5.2,;-6.15,-6.68,)|

BDBM458220

C=CC(=O)N1CC[C@@]2(C[C@@H](C2)n2c(NC(=O)c3ccc(s3)-c3ccc(cc3)C#N)nc3ccccc23)C1 |r,wU:9.11,7.10,(-6.15,-6.68,;-5.75,-5.2,;-4.27,-4.8,;-3.18,-5.89,;-3.87,-3.31,;-2.4,-2.84,;-2.4,-1.3,;-3.87,-.82,;-3.1,.51,;-4.43,1.28,;-5.2,-.05,;-4.83,2.77,;-3.93,4.02,;-2.39,4.02,;-1.62,5.35,;-2.39,6.68,;-.08,5.35,;.83,6.6,;2.29,6.12,;2.29,4.58,;.83,4.11,;3.63,3.81,;3.63,2.27,;4.96,1.5,;6.34,2.24,;6.3,3.81,;4.96,4.58,;7.68,1.47,;9.01,.7,;-4.83,5.26,;-6.3,4.79,;-7.63,5.56,;-8.96,4.79,;-8.96,3.25,;-7.63,2.48,;-6.3,3.25,;-4.77,-2.07,)|

BDBM458221

OCc1ccc2n([C@H]3C[C@]4(C3)CCN(C4)C(=O)C=C)c(NC(=O)c3ccc(s3)C(F)F)nc2c1 |r,wU:7.6,9.9,(-8.3,4.79,;-6.96,5.56,;-5.63,4.79,;-5.63,3.25,;-4.29,2.48,;-2.96,3.25,;-1.5,2.77,;-1.1,1.28,;.24,.51,;-.53,-.82,;-1.87,-.05,;.93,-1.3,;.93,-2.84,;-.53,-3.31,;-1.44,-2.07,;-.93,-4.8,;.16,-5.89,;-2.42,-5.2,;-2.82,-6.68,;-.59,4.02,;.95,4.02,;1.72,5.35,;.95,6.68,;3.26,5.35,;4.16,6.6,;5.63,6.12,;5.63,4.58,;4.16,4.11,;6.96,3.81,;6.96,2.27,;8.3,4.58,;-1.5,5.26,;-2.96,4.79,;-4.29,5.56,)|

BDBM458222

OCc1ccc2n([C@H]3C[C@]4(C3)CCN(C4)C(=O)C=C)c(NC(=O)c3ccc(s3)-c3cnco3)nc2c1 |r,wU:7.6,9.9,(-8.81,4.79,;-7.48,5.56,;-6.15,4.79,;-6.15,3.25,;-4.81,2.48,;-3.48,3.25,;-2.01,2.77,;-1.62,1.28,;-.28,.51,;-1.05,-.82,;-2.39,-.05,;.41,-1.3,;.41,-2.84,;-1.05,-3.31,;-1.96,-2.07,;-1.45,-4.8,;-.36,-5.89,;-2.94,-5.2,;-3.34,-6.68,;-1.11,4.02,;.43,4.02,;1.2,5.35,;.43,6.68,;2.74,5.35,;3.65,6.6,;5.11,6.12,;5.11,4.58,;3.65,4.11,;6.44,3.81,;7.91,4.29,;8.81,3.04,;7.91,1.8,;6.44,2.27,;-2.01,5.26,;-3.48,4.79,;-4.81,5.56,)|

BDBM458223

C=CC(=O)N1CC[C@@]2(C[C@@H](C2)n2c(NC(=O)c3ccc(s3)N3CCCC3=O)nc3ccccc23)C1 |r,wU:9.11,7.10,(-4.67,-6.68,;-4.27,-5.2,;-2.78,-4.8,;-1.7,-5.89,;-2.39,-3.31,;-.92,-2.84,;-.92,-1.3,;-2.39,-.82,;-1.62,.51,;-2.95,1.28,;-3.72,-.05,;-3.35,2.77,;-2.44,4.02,;-.9,4.02,;-.13,5.35,;-.9,6.68,;1.41,5.35,;2.31,6.6,;3.78,6.12,;3.78,4.58,;2.31,4.11,;5.11,3.81,;6.58,4.29,;7.48,3.04,;6.58,1.8,;5.11,2.27,;3.78,1.5,;-3.35,5.26,;-4.81,4.79,;-6.15,5.56,;-7.48,4.79,;-7.48,3.25,;-6.15,2.48,;-4.81,3.25,;-3.29,-2.07,)|

BDBM458224

C=CC(=O)N1CC[C@@]2(C[C@@H](C2)n2c(NC(=O)c3ccc(s3)-c3cccc(c3)C#N)nc3ccccc23)C1 |r,wU:9.11,7.10,(-6.15,-6.68,;-5.75,-5.2,;-4.27,-4.8,;-3.18,-5.89,;-3.87,-3.31,;-2.4,-2.84,;-2.4,-1.3,;-3.87,-.82,;-3.1,.51,;-4.43,1.28,;-5.2,-.05,;-4.83,2.77,;-3.93,4.02,;-2.39,4.02,;-1.62,5.35,;-2.39,6.68,;-.08,5.35,;.83,6.6,;2.29,6.12,;2.29,4.58,;.83,4.11,;3.63,3.81,;3.63,2.27,;4.96,1.5,;6.3,2.27,;6.34,3.84,;4.96,4.58,;7.68,4.61,;9.01,5.38,;-4.83,5.26,;-6.3,4.79,;-7.63,5.56,;-8.96,4.79,;-8.96,3.25,;-7.63,2.48,;-6.3,3.25,;-4.77,-2.07,)|

BDBM458225

Cn1cncc1-c1ccc(s1)C(=O)Nc1nc2ccccc2n1[C@H]1C[C@]2(C1)CCN(C2)C(=O)C=C |r,wU:23.26,25.29,(3.78,1.5,;5.11,2.27,;6.58,1.8,;7.48,3.04,;6.58,4.29,;5.11,3.81,;3.78,4.58,;3.78,6.12,;2.31,6.6,;1.41,5.35,;2.31,4.11,;-.13,5.35,;-.9,6.68,;-.9,4.02,;-2.44,4.02,;-3.35,5.26,;-4.81,4.79,;-6.15,5.56,;-7.48,4.79,;-7.48,3.25,;-6.15,2.48,;-4.81,3.25,;-3.35,2.77,;-2.95,1.28,;-1.62,.51,;-2.39,-.82,;-3.72,-.05,;-.92,-1.3,;-.92,-2.84,;-2.39,-3.31,;-3.29,-2.07,;-2.78,-4.8,;-1.7,-5.89,;-4.27,-5.2,;-4.67,-6.68,)|

BDBM458226

C=CC(=O)N1CC[C@@]2(C[C@@H](C2)n2c(NC(=O)c3ccc(s3)-c3cn[nH]c3)nc3ccccc23)C1 |r,wU:9.11,7.10,(-4.67,-6.68,;-4.27,-5.2,;-2.78,-4.8,;-1.7,-5.89,;-2.39,-3.31,;-.92,-2.84,;-.92,-1.3,;-2.39,-.82,;-1.62,.51,;-2.95,1.28,;-3.72,-.05,;-3.35,2.77,;-2.44,4.02,;-.9,4.02,;-.13,5.35,;-.9,6.68,;1.41,5.35,;2.31,6.6,;3.78,6.12,;3.78,4.58,;2.31,4.11,;5.11,3.81,;6.58,4.29,;7.48,3.04,;6.58,1.8,;5.11,2.27,;-3.35,5.26,;-4.81,4.79,;-6.15,5.56,;-7.48,4.79,;-7.48,3.25,;-6.15,2.48,;-4.81,3.25,;-3.29,-2.07,)|

BDBM458227

Fc1cc(ccn1)-c1ccc(s1)C(=O)Nc1nc2ccccc2n1[C@H]1C[C@]2(C1)CCN(C2)C(=O)C=C |r,wU:24.27,26.30,(6.3,-.04,;6.3,1.5,;4.96,2.27,;4.96,3.81,;6.3,4.58,;7.63,3.81,;7.63,2.27,;3.63,4.58,;3.63,6.12,;2.16,6.6,;1.26,5.35,;2.16,4.11,;-.28,5.35,;-1.05,6.68,;-1.05,4.02,;-2.59,4.02,;-3.5,5.26,;-4.96,4.79,;-6.3,5.56,;-7.63,4.79,;-7.63,3.25,;-6.3,2.48,;-4.96,3.25,;-3.5,2.77,;-3.1,1.28,;-1.76,.51,;-2.53,-.82,;-3.87,-.05,;-1.07,-1.3,;-1.07,-2.84,;-2.53,-3.31,;-3.44,-2.07,;-2.93,-4.8,;-1.84,-5.89,;-4.42,-5.2,;-4.82,-6.68,)|

BDBM458228

Fc1ccc(cn1)-c1ccc(s1)C(=O)Nc1nc2ccccc2n1[C@H]1C[C@]2(C1)CCN(C2)C(=O)C=C |r,wU:24.27,26.30,(8.3,1.5,;6.96,2.27,;6.96,3.81,;5.63,4.58,;4.29,3.81,;4.29,2.27,;5.63,1.5,;2.96,4.58,;2.96,6.12,;1.5,6.6,;.59,5.35,;1.5,4.11,;-.95,5.35,;-1.72,6.68,;-1.72,4.02,;-3.26,4.02,;-4.16,5.26,;-5.63,4.79,;-6.96,5.56,;-8.3,4.79,;-8.3,3.25,;-6.96,2.48,;-5.63,3.25,;-4.16,2.77,;-3.77,1.28,;-2.43,.51,;-3.2,-.82,;-4.54,-.05,;-1.74,-1.3,;-1.74,-2.84,;-3.2,-3.31,;-4.11,-2.07,;-3.6,-4.8,;-2.51,-5.89,;-5.09,-5.2,;-5.49,-6.68,)|

BDBM458229

C=CC(=O)N1CC[C@@]2(C[C@@H](C2)n2c(NC(=O)c3ccc(s3)-c3cncnc3)nc3ccccc23)C1 |r,wU:9.11,7.10,(-4.82,-6.68,;-4.42,-5.2,;-2.93,-4.8,;-1.84,-5.89,;-2.53,-3.31,;-1.07,-2.84,;-1.07,-1.3,;-2.53,-.82,;-1.76,.51,;-3.1,1.28,;-3.87,-.05,;-3.5,2.77,;-2.59,4.02,;-1.05,4.02,;-.28,5.35,;-1.05,6.68,;1.26,5.35,;2.16,6.6,;3.63,6.12,;3.63,4.58,;2.16,4.11,;4.96,3.81,;4.96,2.27,;6.3,1.5,;7.63,2.27,;7.63,3.81,;6.3,4.58,;-3.5,5.26,;-4.96,4.79,;-6.3,5.56,;-7.63,4.79,;-7.63,3.25,;-6.3,2.48,;-4.96,3.25,;-3.44,-2.07,)|

BDBM458230

Nc1cncc(c1)-c1ccc(s1)C(=O)Nc1nc2ccccc2n1[C@H]1C[C@]2(C1)CCN(C2)C(=O)C=C |r,wU:24.27,26.30,(8.3,4.58,;6.96,3.81,;6.96,2.27,;5.63,1.5,;4.29,2.27,;4.29,3.81,;5.63,4.58,;2.96,4.58,;2.96,6.12,;1.5,6.6,;.59,5.35,;1.5,4.11,;-.95,5.35,;-1.72,6.68,;-1.72,4.02,;-3.26,4.02,;-4.16,5.26,;-5.63,4.79,;-6.96,5.56,;-8.3,4.79,;-8.3,3.25,;-6.96,2.48,;-5.63,3.25,;-4.16,2.77,;-3.77,1.28,;-2.43,.51,;-3.2,-.82,;-4.54,-.05,;-1.74,-1.3,;-1.74,-2.84,;-3.2,-3.31,;-4.11,-2.07,;-3.6,-4.8,;-2.51,-5.89,;-5.09,-5.2,;-5.49,-6.68,)|

BDBM458231

C=CC(=O)N1CC[C@@]2(C[C@@H](C2)n2c(NC(=O)c3ccc(s3)-c3c[nH]nc3C3CC3)nc3ccccc23)C1 |r,wU:9.11,7.10,(-4.96,-6.97,;-4.56,-5.49,;-3.08,-5.09,;-1.99,-6.18,;-2.68,-3.6,;-1.21,-3.12,;-1.21,-1.58,;-2.68,-1.11,;-1.91,.23,;-3.24,1,;-4.01,-.34,;-3.64,2.48,;-2.73,3.73,;-1.19,3.73,;-.42,5.06,;-1.19,6.4,;1.12,5.06,;2.02,6.31,;3.49,5.83,;3.49,4.29,;2.02,3.82,;4.82,3.52,;4.82,1.98,;6.28,1.51,;7.19,2.75,;6.28,4,;6.68,5.49,;7.77,6.57,;6.28,6.97,;-3.64,4.97,;-5.1,4.5,;-6.44,5.27,;-7.77,4.5,;-7.77,2.96,;-6.44,2.19,;-5.1,2.96,;-3.58,-2.35,)|

BDBM50458588

CNc1cc(ccn1)-c1ccc(s1)C(=O)Nc1nc2ccccc2n1[C@H]1C[C@]2(C1)CCN(C2)C(=O)C=C |r,wU:27.33,25.28,(47.22,-29.18,;45.97,-28.29,;44.57,-28.94,;43.31,-28.05,;41.92,-28.68,;41.77,-30.22,;43.02,-31.11,;44.42,-30.48,;40.67,-27.79,;40.66,-26.26,;39.19,-25.8,;38.3,-27.05,;39.21,-28.28,;36.77,-27.07,;35.99,-25.74,;36.01,-28.4,;34.47,-28.41,;33.55,-27.16,;32.08,-27.65,;30.74,-26.89,;29.41,-27.66,;29.41,-29.2,;30.74,-29.97,;32.09,-29.2,;33.56,-29.67,;34.04,-31.13,;35.42,-31.82,;34.72,-33.2,;33.35,-32.51,;36.23,-33.53,;36.38,-35.06,;34.97,-35.68,;33.95,-34.53,;34.64,-37.19,;35.78,-38.22,;33.17,-37.66,;32.85,-39.16,)|

BDBM458234

C=CC(=O)N1CC[C@@]2(C[C@@H](C2)n2c(NC(=O)c3ccc(s3)-c3cnccn3)nc3ccccc23)C1 |r,wU:9.11,7.10,(-4.82,-6.68,;-4.42,-5.2,;-2.93,-4.8,;-1.84,-5.89,;-2.53,-3.31,;-1.07,-2.84,;-1.07,-1.3,;-2.53,-.82,;-1.76,.51,;-3.1,1.28,;-3.87,-.05,;-3.5,2.77,;-2.59,4.02,;-1.05,4.02,;-.28,5.35,;-1.05,6.68,;1.26,5.35,;2.16,6.6,;3.63,6.12,;3.63,4.58,;2.16,4.11,;4.96,3.81,;4.96,2.27,;6.3,1.5,;7.63,2.27,;7.63,3.81,;6.3,4.58,;-3.5,5.26,;-4.96,4.79,;-6.3,5.56,;-7.63,4.79,;-7.63,3.25,;-6.3,2.48,;-4.96,3.25,;-3.44,-2.07,)|

BDBM458235

C=CC(=O)N1CC[C@@]2(C[C@@H](C2)n2c(NC(=O)c3ccc(s3)-c3ccncn3)nc3ccccc23)C1 |r,wU:9.11,7.10,(-4.82,-6.68,;-4.42,-5.2,;-2.93,-4.8,;-1.84,-5.89,;-2.53,-3.31,;-1.07,-2.84,;-1.07,-1.3,;-2.53,-.82,;-1.76,.51,;-3.1,1.28,;-3.87,-.05,;-3.5,2.77,;-2.59,4.02,;-1.05,4.02,;-.28,5.35,;-1.05,6.68,;1.26,5.35,;2.16,6.6,;3.63,6.12,;3.63,4.58,;2.16,4.11,;4.96,3.81,;4.96,2.27,;6.3,1.5,;7.63,2.27,;7.63,3.81,;6.3,4.58,;-3.5,5.26,;-4.96,4.79,;-6.3,5.56,;-7.63,4.79,;-7.63,3.25,;-6.3,2.48,;-4.96,3.25,;-3.44,-2.07,)|

BDBM458236

Cc1ncncc1-c1ccc(s1)C(=O)Nc1nc2ccccc2n1[C@H]1C[C@]2(C1)CCN(C2)C(=O)C=C |r,wU:24.27,26.30,(6.3,6.12,;6.3,4.58,;7.63,3.81,;7.63,2.27,;6.3,1.5,;4.96,2.27,;4.96,3.81,;3.63,4.58,;3.63,6.12,;2.16,6.6,;1.26,5.35,;2.16,4.11,;-.28,5.35,;-1.05,6.68,;-1.05,4.02,;-2.59,4.02,;-3.5,5.26,;-4.96,4.79,;-6.3,5.56,;-7.63,4.79,;-7.63,3.25,;-6.3,2.48,;-4.96,3.25,;-3.5,2.77,;-3.1,1.28,;-1.76,.51,;-2.53,-.82,;-3.87,-.05,;-1.07,-1.3,;-1.07,-2.84,;-2.53,-3.31,;-3.44,-2.07,;-2.93,-4.8,;-1.84,-5.89,;-4.42,-5.2,;-4.82,-6.68,)|

BDBM458237

Cc1ncc(cn1)-c1ccc(s1)C(=O)Nc1nc2ccccc2n1[C@H]1C[C@]2(C1)CCN(C2)C(=O)C=C |r,wU:24.27,26.30,(8.3,1.5,;6.96,2.27,;5.63,1.5,;4.29,2.27,;4.29,3.81,;5.63,4.58,;6.96,3.81,;2.96,4.58,;2.96,6.12,;1.5,6.6,;.59,5.35,;1.5,4.11,;-.95,5.35,;-1.72,6.68,;-1.72,4.02,;-3.26,4.02,;-4.16,5.26,;-5.63,4.79,;-6.96,5.56,;-8.3,4.79,;-8.3,3.25,;-6.96,2.48,;-5.63,3.25,;-4.16,2.77,;-3.77,1.28,;-2.43,.51,;-3.2,-.82,;-4.54,-.05,;-1.74,-1.3,;-1.74,-2.84,;-3.2,-3.31,;-4.11,-2.07,;-3.6,-4.8,;-2.51,-5.89,;-5.09,-5.2,;-5.49,-6.68,)|

BDBM458238

C=CC(=O)N1CC[C@@]2(C[C@@H](C2)n2c(NC(=O)c3ccc(s3)-c3ccnc4[nH]ccc34)nc3ccccc23)C1 |r,wU:9.11,7.10,(-5.39,-6.68,;-4.99,-5.2,;-3.51,-4.8,;-2.42,-5.89,;-3.11,-3.31,;-1.64,-2.84,;-1.64,-1.3,;-3.11,-.82,;-2.34,.51,;-3.67,1.28,;-4.44,-.05,;-4.07,2.77,;-3.16,4.02,;-1.62,4.02,;-.85,5.35,;-1.62,6.68,;.69,5.35,;1.59,6.6,;3.06,6.12,;3.06,4.58,;1.59,4.11,;4.39,3.81,;4.39,2.27,;5.72,1.5,;7.06,2.27,;7.06,3.81,;8.2,4.84,;7.57,6.25,;6.04,6.09,;5.72,4.58,;-4.07,5.26,;-5.53,4.79,;-6.87,5.56,;-8.2,4.79,;-8.2,3.25,;-6.87,2.48,;-5.53,3.25,;-4.01,-2.07,)|

BDBM458239

CNc1nccc(n1)-c1ccc(s1)C(=O)Nc1nc2ccccc2n1[C@H]1C[C@]2(C1)CCN(C2)C(=O)C=C |r,wU:25.28,27.31,(8.96,3.81,;7.63,4.58,;6.3,3.81,;6.3,2.27,;4.96,1.5,;3.63,2.27,;3.63,3.81,;4.96,4.58,;2.29,4.58,;2.29,6.12,;.83,6.6,;-.08,5.35,;.83,4.11,;-1.62,5.35,;-2.39,6.68,;-2.39,4.02,;-3.93,4.02,;-4.83,5.26,;-6.3,4.79,;-7.63,5.56,;-8.96,4.79,;-8.96,3.25,;-7.63,2.48,;-6.3,3.25,;-4.83,2.77,;-4.43,1.28,;-3.1,.51,;-3.87,-.82,;-5.2,-.05,;-2.4,-1.3,;-2.4,-2.84,;-3.87,-3.31,;-4.77,-2.07,;-4.27,-4.8,;-3.18,-5.89,;-5.75,-5.2,;-6.15,-6.68,)|

BDBM50458601

Nc1nccc(n1)-c1ccc(s1)C(=O)Nc1nc2ccccc2n1[C@H]1C[C@]2(C1)CCN(C2)C(=O)C=C |r,wU:26.32,24.27,(69.86,-5.85,;68.46,-6.5,;68.32,-8.04,;66.91,-8.67,;65.66,-7.78,;65.81,-6.25,;67.21,-5.61,;64.56,-5.35,;64.55,-3.82,;63.09,-3.36,;62.2,-4.61,;63.11,-5.84,;60.66,-4.63,;59.89,-3.3,;59.9,-5.96,;58.36,-5.97,;57.44,-4.72,;55.97,-5.21,;54.63,-4.45,;53.31,-5.22,;53.3,-6.76,;54.64,-7.53,;55.98,-6.76,;57.46,-7.23,;57.94,-8.69,;59.31,-9.38,;58.62,-10.76,;57.24,-10.07,;60.12,-11.09,;60.27,-12.63,;58.86,-13.24,;57.84,-12.09,;58.53,-14.75,;59.67,-15.79,;57.07,-15.22,;56.74,-16.72,)|

BDBM458241

CNc1cccc(n1)-c1ccc(s1)C(=O)Nc1nc2ccccc2n1[C@H]1C[C@]2(C1)CCN(C2)C(=O)C=C |r,wU:25.28,27.31,(8.96,3.81,;7.63,4.58,;6.3,3.81,;6.3,2.27,;4.96,1.5,;3.63,2.27,;3.63,3.81,;4.96,4.58,;2.29,4.58,;2.29,6.12,;.83,6.6,;-.08,5.35,;.83,4.11,;-1.62,5.35,;-2.39,6.68,;-2.39,4.02,;-3.93,4.02,;-4.83,5.26,;-6.3,4.79,;-7.63,5.56,;-8.96,4.79,;-8.96,3.25,;-7.63,2.48,;-6.3,3.25,;-4.83,2.77,;-4.43,1.28,;-3.1,.51,;-3.87,-.82,;-5.2,-.05,;-2.4,-1.3,;-2.4,-2.84,;-3.87,-3.31,;-4.77,-2.07,;-4.27,-4.8,;-3.18,-5.89,;-5.75,-5.2,;-6.15,-6.68,)|

BDBM458242

CNc1cncc(n1)-c1ccc(s1)C(=O)Nc1nc2ccccc2n1[C@H]1C[C@]2(C1)CCN(C2)C(=O)C=C |r,wU:25.28,27.31,(8.96,3.81,;7.63,4.58,;6.3,3.81,;6.3,2.27,;4.96,1.5,;3.63,2.27,;3.63,3.81,;4.96,4.58,;2.29,4.58,;2.29,6.12,;.83,6.6,;-.08,5.35,;.83,4.11,;-1.62,5.35,;-2.39,6.68,;-2.39,4.02,;-3.93,4.02,;-4.83,5.26,;-6.3,4.79,;-7.63,5.56,;-8.96,4.79,;-8.96,3.25,;-7.63,2.48,;-6.3,3.25,;-4.83,2.77,;-4.43,1.28,;-3.1,.51,;-3.87,-.82,;-5.2,-.05,;-2.4,-1.3,;-2.4,-2.84,;-3.87,-3.31,;-4.77,-2.07,;-4.27,-4.8,;-3.18,-5.89,;-5.75,-5.2,;-6.15,-6.68,)|

BDBM458243

Nc1cc(ncn1)-c1ccc(s1)C(=O)Nc1nc2ccccc2n1[C@H]1C[C@]2(C1)CCN(C2)C(=O)C=C |r,wU:24.27,26.30,(8.3,4.58,;6.96,3.81,;5.63,4.58,;4.29,3.81,;4.29,2.27,;5.63,1.5,;6.96,2.27,;2.96,4.58,;2.96,6.12,;1.5,6.6,;.59,5.35,;1.5,4.11,;-.95,5.35,;-1.72,6.68,;-1.72,4.02,;-3.26,4.02,;-4.16,5.26,;-5.63,4.79,;-6.96,5.56,;-8.3,4.79,;-8.3,3.25,;-6.96,2.48,;-5.63,3.25,;-4.16,2.77,;-3.77,1.28,;-2.43,.51,;-3.2,-.82,;-4.54,-.05,;-1.74,-1.3,;-1.74,-2.84,;-3.2,-3.31,;-4.11,-2.07,;-3.6,-4.8,;-2.51,-5.89,;-5.09,-5.2,;-5.49,-6.68,)|

BDBM458244

CNc1cncc(c1)-c1ccc(s1)C(=O)Nc1nc2ccccc2n1[C@H]1C[C@]2(C1)CCN(C2)C(=O)C=C |r,wU:25.28,27.31,(8.96,3.81,;7.63,4.58,;6.3,3.81,;6.3,2.27,;4.96,1.5,;3.63,2.27,;3.63,3.81,;4.96,4.58,;2.29,4.58,;2.29,6.12,;.83,6.6,;-.08,5.35,;.83,4.11,;-1.62,5.35,;-2.39,6.68,;-2.39,4.02,;-3.93,4.02,;-4.83,5.26,;-6.3,4.79,;-7.63,5.56,;-8.96,4.79,;-8.96,3.25,;-7.63,2.48,;-6.3,3.25,;-4.83,2.77,;-4.43,1.28,;-3.1,.51,;-3.87,-.82,;-5.2,-.05,;-2.4,-1.3,;-2.4,-2.84,;-3.87,-3.31,;-4.77,-2.07,;-4.27,-4.8,;-3.18,-5.89,;-5.75,-5.2,;-6.15,-6.68,)|

BDBM458245

Cc1ccc(cn1)-c1ccc(s1)C(=O)Nc1nc2ccccc2n1[C@H]1C[C@]2(C1)CCN(C2)C(=O)C=C |r,wU:24.27,26.30,(8.3,1.5,;6.96,2.27,;6.96,3.81,;5.63,4.58,;4.29,3.81,;4.29,2.27,;5.63,1.5,;2.96,4.58,;2.96,6.12,;1.5,6.6,;.59,5.35,;1.5,4.11,;-.95,5.35,;-1.72,6.68,;-1.72,4.02,;-3.26,4.02,;-4.16,5.26,;-5.63,4.79,;-6.96,5.56,;-8.3,4.79,;-8.3,3.25,;-6.96,2.48,;-5.63,3.25,;-4.16,2.77,;-3.77,1.28,;-2.43,.51,;-3.2,-.82,;-4.54,-.05,;-1.74,-1.3,;-1.74,-2.84,;-3.2,-3.31,;-4.11,-2.07,;-3.6,-4.8,;-2.51,-5.89,;-5.09,-5.2,;-5.49,-6.68,)|

BDBM458246

OCc1ccc(cn1)-c1ccc(s1)C(=O)Nc1nc2ccccc2n1[C@H]1C[C@]2(C1)CCN(C2)C(=O)C=C |r,wU:25.28,27.31,(8.96,2.27,;7.63,1.5,;6.3,2.27,;6.3,3.81,;4.96,4.58,;3.63,3.81,;3.63,2.27,;4.96,1.5,;2.29,4.58,;2.29,6.12,;.83,6.6,;-.08,5.35,;.83,4.11,;-1.62,5.35,;-2.39,6.68,;-2.39,4.02,;-3.93,4.02,;-4.83,5.26,;-6.3,4.79,;-7.63,5.56,;-8.96,4.79,;-8.96,3.25,;-7.63,2.48,;-6.3,3.25,;-4.83,2.77,;-4.43,1.28,;-3.1,.51,;-3.87,-.82,;-5.2,-.05,;-2.4,-1.3,;-2.4,-2.84,;-3.87,-3.31,;-4.77,-2.07,;-4.27,-4.8,;-3.18,-5.89,;-5.75,-5.2,;-6.15,-6.68,)|

BDBM458247

CNc1cc(ncn1)-c1ccc(s1)C(=O)Nc1nc2ccccc2n1[C@H]1C[C@]2(C1)CCN(C2)C(=O)C=C |r,wU:25.28,27.31,(8.96,3.81,;7.63,4.58,;6.3,3.81,;4.96,4.58,;3.63,3.81,;3.63,2.27,;4.96,1.5,;6.3,2.27,;2.29,4.58,;2.29,6.12,;.83,6.6,;-.08,5.35,;.83,4.11,;-1.62,5.35,;-2.39,6.68,;-2.39,4.02,;-3.93,4.02,;-4.83,5.26,;-6.3,4.79,;-7.63,5.56,;-8.96,4.79,;-8.96,3.25,;-7.63,2.48,;-6.3,3.25,;-4.83,2.77,;-4.43,1.28,;-3.1,.51,;-3.87,-.82,;-5.2,-.05,;-2.4,-1.3,;-2.4,-2.84,;-3.87,-3.31,;-4.77,-2.07,;-4.27,-4.8,;-3.18,-5.89,;-5.75,-5.2,;-6.15,-6.68,)|

BDBM458248

OCc1cc(ccn1)-c1ccc(s1)C(=O)Nc1nc2ccccc2n1[C@H]1C[C@]2(C1)CCN(C2)C(=O)C=C |r,wU:25.28,27.31,(8.96,3.81,;7.63,4.58,;6.3,3.81,;4.96,4.58,;3.63,3.81,;3.63,2.27,;4.96,1.5,;6.3,2.27,;2.29,4.58,;2.29,6.12,;.83,6.6,;-.08,5.35,;.83,4.11,;-1.62,5.35,;-2.39,6.68,;-2.39,4.02,;-3.93,4.02,;-4.83,5.26,;-6.3,4.79,;-7.63,5.56,;-8.96,4.79,;-8.96,3.25,;-7.63,2.48,;-6.3,3.25,;-4.83,2.77,;-4.43,1.28,;-3.1,.51,;-3.87,-.82,;-5.2,-.05,;-2.4,-1.3,;-2.4,-2.84,;-3.87,-3.31,;-4.77,-2.07,;-4.27,-4.8,;-3.18,-5.89,;-5.75,-5.2,;-6.15,-6.68,)|

BDBM458249

Cc1cc(ccn1)-c1ccc(s1)C(=O)Nc1nc2ccccc2n1[C@H]1C[C@]2(C1)CCN(C2)C(=O)C=C |r,wU:24.27,26.30,(8.3,4.58,;6.96,3.81,;5.63,4.58,;4.29,3.81,;4.29,2.27,;5.63,1.5,;6.96,2.27,;2.96,4.58,;2.96,6.12,;1.5,6.6,;.59,5.35,;1.5,4.11,;-.95,5.35,;-1.72,6.68,;-1.72,4.02,;-3.26,4.02,;-4.16,5.26,;-5.63,4.79,;-6.96,5.56,;-8.3,4.79,;-8.3,3.25,;-6.96,2.48,;-5.63,3.25,;-4.16,2.77,;-3.77,1.28,;-2.43,.51,;-3.2,-.82,;-4.54,-.05,;-1.74,-1.3,;-1.74,-2.84,;-3.2,-3.31,;-4.11,-2.07,;-3.6,-4.8,;-2.51,-5.89,;-5.09,-5.2,;-5.49,-6.68,)|

BDBM458250

OCc1ccc2n([C@H]3C[C@]4(C3)CCN(C4)C(=O)C=C)c(NC(=O)c3ccc(s3)-c3cncnc3)nc2c1 |r,wU:7.6,9.9,(-8.96,4.79,;-7.63,5.56,;-6.3,4.79,;-6.3,3.25,;-4.96,2.48,;-3.63,3.25,;-2.16,2.77,;-1.76,1.28,;-.43,.51,;-1.2,-.82,;-2.53,-.05,;.26,-1.3,;.26,-2.84,;-1.2,-3.31,;-2.11,-2.07,;-1.6,-4.8,;-.51,-5.89,;-3.09,-5.2,;-3.49,-6.68,;-1.26,4.02,;.28,4.02,;1.05,5.35,;.28,6.68,;2.59,5.35,;3.5,6.6,;4.96,6.12,;4.96,4.58,;3.5,4.11,;6.3,3.81,;6.3,2.27,;7.63,1.5,;8.96,2.27,;8.96,3.81,;7.63,4.58,;-2.16,5.26,;-3.63,4.79,;-4.96,5.56,)|

BDBM50458604

Cc1nccc(n1)-c1ccc(s1)C(=O)Nc1nc2ccccc2n1[C@H]1C[C@]2(C1)CCN(C2)C(=O)C=C |r,wU:26.32,24.27,(71.14,-29.4,;69.74,-30.04,;69.6,-31.58,;68.2,-32.22,;66.94,-31.32,;67.1,-29.79,;68.49,-29.15,;65.84,-28.9,;65.83,-27.36,;64.37,-26.9,;63.48,-28.16,;64.39,-29.38,;61.95,-28.17,;61.17,-26.84,;61.18,-29.51,;59.64,-29.52,;58.73,-28.27,;57.25,-28.76,;55.92,-27.99,;54.59,-28.76,;54.59,-30.31,;55.92,-31.08,;57.26,-30.31,;58.74,-30.78,;59.22,-32.24,;60.6,-32.93,;59.9,-34.31,;58.53,-33.61,;61.4,-34.64,;61.56,-36.17,;60.15,-36.79,;59.12,-35.64,;59.82,-38.29,;60.96,-39.33,;58.35,-38.76,;58.02,-40.26,)|

BDBM458252

Cc1cc(ncn1)-c1ccc(s1)C(=O)Nc1nc2ccccc2n1[C@H]1C[C@]2(C1)CCN(C2)C(=O)C=C |r,wU:24.27,26.30,(6.3,-.04,;6.3,1.5,;4.96,2.27,;4.96,3.81,;6.3,4.58,;7.63,3.81,;7.63,2.27,;3.63,4.58,;3.63,6.12,;2.16,6.6,;1.26,5.35,;2.16,4.11,;-.28,5.35,;-1.05,6.68,;-1.05,4.02,;-2.59,4.02,;-3.5,5.26,;-4.96,4.79,;-6.3,5.56,;-7.63,4.79,;-7.63,3.25,;-6.3,2.48,;-4.96,3.25,;-3.5,2.77,;-3.1,1.28,;-1.76,.51,;-2.53,-.82,;-3.87,-.05,;-1.07,-1.3,;-1.07,-2.84,;-2.53,-3.31,;-3.44,-2.07,;-2.93,-4.8,;-1.84,-5.89,;-4.42,-5.2,;-4.82,-6.68,)|

BDBM458253

C=CC(=O)N1CC[C@@]2(C[C@@H](C2)n2c(NC(=O)c3ccc(s3)-c3cncc4[nH]ccc34)nc3ccccc23)C1 |r,wU:9.11,7.10,(-5.39,-6.68,;-4.99,-5.2,;-3.51,-4.8,;-2.42,-5.89,;-3.11,-3.31,;-1.64,-2.84,;-1.64,-1.3,;-3.11,-.82,;-2.34,.51,;-3.67,1.28,;-4.44,-.05,;-4.07,2.77,;-3.16,4.02,;-1.62,4.02,;-.85,5.35,;-1.62,6.68,;.69,5.35,;1.59,6.6,;3.06,6.12,;3.06,4.58,;1.59,4.11,;4.39,3.81,;4.39,2.27,;5.72,1.5,;7.06,2.27,;7.06,3.81,;8.2,4.84,;7.57,6.25,;6.04,6.09,;5.72,4.58,;-4.07,5.26,;-5.53,4.79,;-6.87,5.56,;-8.2,4.79,;-8.2,3.25,;-6.87,2.48,;-5.53,3.25,;-4.01,-2.07,)|

BDBM458254

OCC(F)(F)c1ccc2n([C@H]3C[C@]4(C3)CCN(C4)C(=O)C=C)c(NC(=O)c3ccc(s3)-c3cnco3)nc2c1 |r,wU:10.9,12.12,(-9.48,5.45,;-8.15,4.68,;-6.81,5.45,;-6.04,6.79,;-7.58,6.79,;-5.48,4.68,;-5.48,3.14,;-4.15,2.37,;-2.81,3.14,;-1.35,2.67,;-.95,1.18,;.38,.41,;-.39,-.92,;-1.72,-.15,;1.08,-1.4,;1.08,-2.94,;-.39,-3.41,;-1.29,-2.17,;-.78,-4.9,;.3,-5.99,;-2.27,-5.3,;-2.67,-6.79,;-.44,3.91,;1.1,3.91,;1.87,5.25,;1.1,6.58,;3.41,5.25,;4.31,6.49,;5.78,6.02,;5.78,4.48,;4.31,4,;7.11,3.71,;8.58,4.18,;9.48,2.94,;8.58,1.69,;7.11,2.17,;-1.35,5.16,;-2.81,4.68,;-4.15,5.45,)|

BDBM458255

Nc1cncc(n1)-c1ccc(s1)C(=O)Nc1nc2ccccc2n1[C@H]1C[C@]2(C1)CCN(C2)C(=O)C=C |r,wU:24.27,26.30,(8.3,4.58,;6.96,3.81,;6.96,2.27,;5.63,1.5,;4.29,2.27,;4.29,3.81,;5.63,4.58,;2.96,4.58,;2.96,6.12,;1.5,6.6,;.59,5.35,;1.5,4.11,;-.95,5.35,;-1.72,6.68,;-1.72,4.02,;-3.26,4.02,;-4.16,5.26,;-5.63,4.79,;-6.96,5.56,;-8.3,4.79,;-8.3,3.25,;-6.96,2.48,;-5.63,3.25,;-4.16,2.77,;-3.77,1.28,;-2.43,.51,;-3.2,-.82,;-4.54,-.05,;-1.74,-1.3,;-1.74,-2.84,;-3.2,-3.31,;-4.11,-2.07,;-3.6,-4.8,;-2.51,-5.89,;-5.09,-5.2,;-5.49,-6.68,)|

BDBM458256

C=CC(=O)N1CC[C@@]2(C[C@@H](C2)n2c(NC(=O)c3ccc(s3)-c3ccnc4[nH]ncc34)nc3ccccc23)C1 |r,wU:9.11,7.10,(-5.39,-6.68,;-4.99,-5.2,;-3.51,-4.8,;-2.42,-5.89,;-3.11,-3.31,;-1.64,-2.84,;-1.64,-1.3,;-3.11,-.82,;-2.34,.51,;-3.67,1.28,;-4.44,-.05,;-4.07,2.77,;-3.16,4.02,;-1.62,4.02,;-.85,5.35,;-1.62,6.68,;.69,5.35,;1.59,6.6,;3.06,6.12,;3.06,4.58,;1.59,4.11,;4.39,3.81,;4.39,2.27,;5.72,1.5,;7.06,2.27,;7.06,3.81,;8.2,4.84,;7.57,6.25,;6.04,6.09,;5.72,4.58,;-4.07,5.26,;-5.53,4.79,;-6.87,5.56,;-8.2,4.79,;-8.2,3.25,;-6.87,2.48,;-5.53,3.25,;-4.01,-2.07,)|

BDBM458257

OCC(F)(F)c1ccc2n([C@H]3C[C@@]4(C3)CCN(C4)C(=O)C=C)c(NC(=O)c3ccc(s3)-c3cnco3)nc2c1 |r,wU:10.9,wD:12.12,(-9.48,5.45,;-8.15,4.68,;-6.81,5.45,;-6.04,6.79,;-7.58,6.79,;-5.48,4.68,;-5.48,3.14,;-4.15,2.37,;-2.81,3.14,;-1.35,2.67,;-.95,1.18,;.38,.41,;-.39,-.92,;-1.72,-.15,;1.08,-1.4,;1.08,-2.94,;-.39,-3.41,;-1.29,-2.17,;-.78,-4.9,;.3,-5.99,;-2.27,-5.3,;-2.67,-6.79,;-.44,3.91,;1.1,3.91,;1.87,5.25,;1.1,6.58,;3.41,5.25,;4.31,6.49,;5.78,6.02,;5.78,4.48,;4.31,4,;7.11,3.71,;8.58,4.18,;9.48,2.94,;8.58,1.69,;7.11,2.17,;-1.35,5.16,;-2.81,4.68,;-4.15,5.45,)|

BDBM458258

Cc1n[nH]cc1-c1ccc(s1)C(=O)Nc1nc2ccccc2n1[C@H]1C[C@]2(C1)CCN(C2)C(=O)C=C |r,wU:23.26,25.29,(6.97,5.77,;6.58,4.29,;7.48,3.04,;6.58,1.8,;5.11,2.27,;5.11,3.81,;3.78,4.58,;3.78,6.12,;2.31,6.6,;1.41,5.35,;2.31,4.11,;-.13,5.35,;-.9,6.68,;-.9,4.02,;-2.44,4.02,;-3.35,5.26,;-4.81,4.79,;-6.15,5.56,;-7.48,4.79,;-7.48,3.25,;-6.15,2.48,;-4.81,3.25,;-3.35,2.77,;-2.95,1.28,;-1.62,.51,;-2.39,-.82,;-3.72,-.05,;-.92,-1.3,;-.92,-2.84,;-2.39,-3.31,;-3.29,-2.07,;-2.78,-4.8,;-1.7,-5.89,;-4.27,-5.2,;-4.67,-6.68,)|

BDBM474105

CC#CC(=O)NCCCC(=O)c1nc(-c2ccc(cc2)C(=O)Nc2ccccn2)c2c(N)nccn12

BDBM474106

COc1cc(ccc1C(=O)Nc1ccccn1)-c1nc(C(=O)CCCNC(=O)C#CC)n2ccnc(N)c12

BDBM482870

CC#CC(=O)N1CCC[C@H]1c1nc(-c2ccc(OCc3ccccc3)cc2)c2c(N)nccn12 |r|

BDBM50175583

C/C=C/C(=O)N1CCC[C@H]1c2nc(c3n2ccnc3N)c4ccc(cc4)C(=O)Nc5ccccn5

BDBM497907

COc1cc(C)c(Sc2cnc(NC(=O)C3CC3)s2)cc1C(=O)N1CCN(CC1)C(=O)C=C

BDBM497909

COc1cc(C)c(Sc2cnc(NC(=O)C3CC3)s2)cc1C(=O)N1CCN(CC1)C(=O)\C=C\CN(C)C

BDBM497910

COc1cc(C)c(Sc2cnc(NC(C)=O)s2)cc1C(=O)N1CCN(CC1(C)C)C(=O)C=C

BDBM497911

COc1cc(C)c(Sc2cnc(NC(C)=O)s2)cc1C(=O)N1CCN(C(=O)C=C)C(C)(C)C1

BDBM497912

COc1cc(C)c(Sc2cnc(NC(C)=O)s2)cc1C(=O)N1[C@H]2CC[C@@H]1CN(C2)C(=O)C=C |r,THB:19:21:26.27.28:24.23|

BDBM497915

COc1cc(C)c(Sc2cnc(NC(C)=O)s2)cc1C(=O)N1C[C@@H]2CC[C@H](C1)N2C(=O)C=C |r,THB:29:28:21.22.27:25.24|

BDBM497916

COc1cc(C)c(Sc2cnc(NC(C)=O)s2)cc1C(=O)N1CCN(C[C@@H]1C)C(=O)C=C |r|

BDBM497917

COc1cc(C)c(Sc2cnc(NC(C)=O)s2)cc1C(=O)N1CCN(C[C@H]1C)C(=O)C=C |r|

BDBM497918

COc1cc(C)c(Sc2cnc(NC(C)=O)s2)cc1C(=O)N1CCN([C@H](C)C1)C(=O)C=C |r|

BDBM497919

COc1cc(C)c(Sc2cnc(NC(C)=O)s2)cc1C(=O)N1CCN([C@@H](C)C1)C(=O)C=C |r|

BDBM497920

COc1cc(C)c(Sc2cnc(NC(=O)C3CC3)s2)cc1C(=O)N1CCN(CC1)C(=O)C(=C)CN(C)C

BDBM497922

COc1cc(C)c(Sc2cnc(NC(=O)c3cccc(CN(C)C)c3)s2)cc1C(=O)N1CCN(CC1)C(=O)C=C

BDBM497923

COc1cc(C)c(Sc2cnc(NC(=O)C3CC3)s2)cc1C(=O)N1CCN(CC1(C)C)C(=O)C=C

BDBM497924

COc1cc(C)c(Sc2cnc(NC(=O)C3CC3)s2)cc1C(=O)N1CCN(C(=O)C=C)C(C)(C)C1

BDBM497925

COc1cc(C)c(Sc2cnc(NC(=O)C3CC3)s2)cc1C(=O)N1[C@H]2CC[C@@H]1CN(C2)C(=O)C=C |r,THB:21:23:28.29.30:25.26|

BDBM497926

COc1cc(C)c(Sc2cnc(NC(=O)C3CC3)s2)cc1C(=O)N1C[C@@H]2CC[C@H](C1)N2C(=O)C=C |r,THB:31:30:23.24.29:27.26|

BDBM497927

COc1cc(C)c(Sc2cnc(NC(=O)C3CC3)s2)cc1C(=O)N1CCN(C[C@@H]1C)C(=O)C=C |r|

BDBM497928

COc1cc(C)c(Sc2cnc(NC(=O)C3CC3)s2)cc1C(=O)N1CCN(C[C@H]1C)C(=O)C=C |r|

BDBM497929

COc1cc(C)c(Sc2cnc(NC(=O)C3CC3)s2)cc1C(=O)N1CCN([C@H](C)C1)C(=O)C=C |r|

BDBM497931

COc1cc(C)c(Sc2cnc(NC(=O)C3CC3)s2)cc1C(=O)N1CCN([C@@H](C)C1)C(=O)C=C |r|

BDBM497932

COc1cc(C)c(Sc2cnc(NC(=O)C3CC3)s2)cc1C(=O)N1C[C@@H]2C[C@H]1CN2C(=O)C=C |r|

BDBM497933

COc1cc(C)c(Sc2cnc(NC(C)=O)s2)cc1C(=O)N1C[C@@H]2C[C@H]1CN2C(=O)C=C |r|

BDBM497934

COc1cc(C)c(Sc2cnc(NC(=O)C3CC3)s2)cc1C(=O)N1CCCN(CC1)C(=O)C=C

BDBM497935

COc1cc(C)c(Sc2cnc(NC(C)=O)s2)cc1C(=O)N1CCCN(CC1)C(=O)C=C

BDBM497936

COc1cc(C)c(Sc2cnc(NC(=O)C3CC3)s2)cc1C(=O)N(C)[C@@H]1CCN(C1)C(=O)C=C |r|

BDBM497937

COc1cc(C)c(Sc2cnc(NC(C)=O)s2)cc1C(=O)N(C)[C@@H]1CCN(C1)C(=O)C=C |r|

BDBM497938

COc1cc(C)c(Sc2cnc(NC(=O)C3CC3)s2)cc1C(=O)N(C)[C@H]1CCN(C1)C(=O)C=C |r|

BDBM497939

COc1cc(C)c(Sc2cnc(NC(C)=O)s2)cc1C(=O)N(C)[C@H]1CCN(C1)C(=O)C=C |r|

BDBM497940

COc1cc(C)c(Sc2cnc(NC(=O)C3CCCC3)s2)cc1C(=O)N1CCN(CC1)C(=O)C=C

BDBM497941

COc1cc(C)c(Sc2cnc(NC(=O)c3cccc(CN(C)C)c3)s2)cc1C(=O)N1CCN([C@H](C)C1)C(=O)C=C |r|

BDBM497943

COc1cc(C)c(Sc2cnc(NC(=O)c3cccc(CN(C)C)c3)s2)cc1C(=O)N1CCCN(CC1)C(=O)C=C

BDBM497944

COc1cc(C)c(Sc2cnc(NC(=O)c3ccc(CN(C)C)cc3)s2)cc1C(=O)N1CCN(CC1)C(=O)C=C

BDBM497945

COc1cc(C)c(Sc2cnc(NC(=O)CN(C)C)s2)cc1C(=O)N1CCCN(CC1)C(=O)C=C

BDBM497946

COc1cc(C)c(Sc2cnc(NC(=O)C(C)C)s2)cc1C(=O)N1CCCN(CC1)C(=O)C=C

BDBM497947

COc1cc(C)c(Sc2cnc(NC(=O)C3CCN(C)CC3)s2)cc1C(=O)N1CCCN(CC1)C(=O)C=C

BDBM497948

COc1cc(C)c(Sc2cnc(NC(=O)c3cccc(CN(C)C)c3)s2)cc1C(=O)N1CCCN(CC1)C(=O)C#CC

BDBM497949

COc1cc(C)c(Sc2cnc(NC(=O)c3cccc(CN(C)C)c3)s2)cc1C(=O)N1CCCN(CC1)C(=O)C(C)=C

BDBM497950

COc1cc(C)c(Sc2cnc(NC(=O)c3ccc(cc3)N3CCN(CC3)C(=O)OC(C)(C)C)s2)cc1C(=O)N1CCN(CC1)C(=O)C=C

BDBM497951

COc1cc(C)c(Sc2cnc(NC(=O)c3ccc(cc3)N3CCN(CC3)C(=O)CCOCCOCCOCCOCCNC(=O)CCCCC3SCC4NC(=O)NC34)s2)cc1C(=O)N1CCN(CC1)C(=O)C=C

BDBM497952

CC[C@@H]1CN(CCN1C(=O)C=C)C(=O)c1cc(Sc2cnc(NC(=O)C3CC3)s2)c(C)cc1OC |r|

BDBM497954

COc1cc(C)c(Sc2cnc(NC(=O)C3CC3)s2)cc1C(=O)N1CCN([C@@H](C1)C#N)C(=O)C=C |r|

BDBM497955

COc1cc(C)c(Sc2cnc(NC(=O)C3CC3)s2)cc1C(=O)N1CCCN([C@H](C)C1)C(=O)C=C |r|

BDBM497956

COc1cc(C)c(Sc2cnc(NC(=O)C3CC3)s2)cc1C(=O)N1CCC2(CN(C2)C(=O)C=C)C1

BDBM497957

COc1cc(C)c(Sc2cnc(NC(=O)C3CC3)s2)cc1C(=O)N1CC2(C1)CCN(C2)C(=O)C=C

BDBM497958

CCC(=O)Nc1ncc(Sc2cc(C(=O)N3CCCN([C@H](C)C3)C(=O)C=C)c(OC)cc2C)s1 |r|

BDBM497959

COc1cc(C)c(Sc2cnc(NC(=O)c3cccc(CN(C)C)c3)s2)cc1C(=O)N1CCCN([C@H](C)C1)C(=O)C=C |r|

BDBM497960

COc1cc(C)c(Sc2cnc(NC(=O)c3cccc(CN4CCOCC4)c3)s2)cc1C(=O)N1CCCN(CC1)C(=O)C=C

BDBM497961

COc1cc(C)c(Sc2cnc(NC(=O)c3ccc(F)c(CN(C)C)c3)s2)cc1C(=O)N1CCCN(CC1)C(=O)C=C

BDBM497962

CCC(=O)Nc1ncc(Sc2cc(C(=O)N3CCN(C[C@@H]3C)C(=O)C=C)c(OC)cc2C)s1 |r|

BDBM497963

COc1cc(C)c(Sc2cnc(NC(=O)C3CC3)s2)cc1C(=O)N1C[C@@H]2CN([C@@H]2C1)C(=O)C=C |r|

BDBM497964

COc1cc(C)c(Sc2cnc(NC(=O)C3CC3)s2)cc1C(=O)N1CCCN(CCC1)C(=O)C=C

BDBM497965

COc1cc(C)c(Sc2cnc(NC(=O)C3CC3)s2)cc1C(=O)N1CC[C@@H](C)N(CC1)C(=O)C=C |r|

BDBM497966

COc1cc(C)c(Sc2cnc(NC(=O)C3CC3)s2)cc1C(=O)N1CCN(CC(F)C1)C(=O)C=C

BDBM497967

COc1cc(C)c(Sc2cnc(NC(=O)c3cccc(CN[C@H](C)C(C)(C)C)c3)s2)cc1C(=O)N1CCCN(CC1)C(=O)C=C |r|

BDBM497968

COc1cc(C)c(Sc2cnc(NC(=O)C(C)(C)C)s2)cc1C(=O)N1CCCN(CC1)C(=O)C=C

BDBM497969

Cc1cc(CSc2cnc(NC(=O)C3CC3)s2)cc(C(=O)N2CCCN(CC2)C(=O)C=C)c1C

BDBM497971

C[C@@H]1CN(CCCN1C(=O)C=C)C(=O)c1cc(Sc2cnc(NC(=O)C3CC3)s2)c(C)cc1C |r|

BDBM497972

C[C@@H]1CN(CCCN1C(=O)C=C)C(=O)c1cc(Sc2cnc(NC(=O)C3CC3)s2)c(C)cc1F |r|

BDBM497973

C[C@@H]1CN(CCCN1C(=O)C=C)C(=O)c1cc(Sc2cnc(NC(=O)C3CC3)s2)c(C)cc1Cl |r|

BDBM497974

C[C@@H]1CN(CCCN1C(=O)C=C)C(=O)c1cc(Sc2cnc(NC(=O)C3CC3)s2)c(Cl)cc1C |r|

BDBM497976

C[C@@H]1CN(CCCN1C(=O)C=C)C(=O)c1cc(Sc2cnc(NC(=O)C3CC3)s2)cc(C)c1C |r|

BDBM497977

C[C@@H]1CN(CCCN1C(=O)C=C)C(=O)c1cc(C)c(C)c(Sc2cnc(NC(=O)C3CC3)s2)c1 |r|

BDBM497978

COc1cc(C)c(Sc2cnc(NC(=O)c3cccc(CN(C)C)c3)s2)cc1C(=O)N1CCN(CC(F)C1)C(=O)C=C

BDBM497979

COc1cc(C)c(Sc2cnc(NC3CC3)s2)cc1C(=O)N1CCN(CC1)C(=O)C=C

BDBM497980

Cc1cc(c(cc1Sc1cnc(NC(=O)C2CC2)s1)C(=O)N1CCN(CC1)C(=O)C=C)C(F)(F)F

BDBM497981

C[C@@H]1CN(CCN1C(=O)C=C)C(=O)c1cc(Sc2cnc(NC(=O)C3CC3)s2)c(C)cc1C(F)(F)F |r|

BDBM497982

C[C@@H]1CN(CCCN1C(=O)C=C)C(=O)c1cc(Sc2cnc(NC(=O)C3CC3)s2)c(C)cc1C(F)(F)F |r|

BDBM497983

COc1cc(C)c(Sc2cnc(NC(=O)C3CC3)s2)cc1C(=O)N1CCCN([C@@H](C)C1)C(=O)C=C |r|

BDBM497984

COc1cc(C)c(Sc2cnc(NC(=O)C3CC3)s2)cc1C(=O)N1CCCN(C[C@@H]1C)C(=O)C=C |r|

BDBM497985

Cc1cc(C)c(cc1Sc1cnc(NC(=O)C2CC2)s1)C(=O)N1CCN(CC1)C(=O)C=C

BDBM497986

Cc1cc(C)c(cc1Sc1cnc(NC(=O)C2CC2)s1)C(=O)N1CCCN(CC1)C(=O)C=C

BDBM497987

C[C@@H]1CN(CCN1C(=O)C=C)C(=O)c1cc(Sc2cnc(NC(=O)C3CC3)s2)c(C)cc1C |r|

BDBM497988

Cc1cnc(cc1Sc1cnc(NC(=O)C2CC2)s1)C(=O)N1CCN(CC1)C(=O)C=C

BDBM497989

COc1ccc(Sc2cnc(NC(=O)C3CC3)s2)cc1C(=O)N1CCCN([C@H](C)C1)C(=O)C=C |r|

BDBM497990

COc1ccc(Sc2cnc(NC(=O)C3CC3)s2)cc1C(=O)N1CCN(CC1)C(=O)C=C

BDBM497991

COc1ccc(Sc2cnc(NC(=O)C3CC3)s2)cc1C(=O)N1CCN([C@H](C)C1)C(=O)C=C |r|

BDBM497992

Cc1cc(Cl)c(Sc2cnc(NC(=O)C3CC3)s2)cc1C(=O)N1CCN(CC1)C(=O)C=C

BDBM497993

C[C@@H]1CN(CCN1C(=O)C=C)C(=O)c1cc(Sc2cnc(NC(=O)C3CC3)s2)c(Cl)cc1C |r|

BDBM497994

C[C@@H]1CN(CCN1C(=O)C=C)C(=O)c1cc(Sc2cnc(NC(=O)C3CC3)s2)c(F)cc1C |r|

BDBM497995

C[C@@H]1CN(CCCN1C(=O)C=C)C(=O)c1cc(Sc2cnc(NC(=O)C3CC3)s2)c(F)cc1C |r|

BDBM497996

COc1cc(C)c(Sc2cnc(NC(=O)C3CCC3)s2)cc1C(=O)N1CCN(CC1)C(=O)C=C

BDBM497997

COc1cc(C)c(Sc2cnc(NC(=O)c3cnsc3)s2)cc1C(=O)N1CCN(CC1)C(=O)C=C

BDBM497998

COc1cc(C)c(Sc2cnc(NC(=O)C3CCC3)s2)cc1C(=O)N1CCCN([C@H](C)C1)C(=O)C=C |r|

BDBM497999

COc1cc(C)c(Sc2cnc(NC(=O)c3ccncc3)s2)cc1C(=O)N1CCN(CC1)C(=O)C=C

BDBM498000

COc1cc(C)c(Sc2cnc(NC(=O)C3CC3)s2)cc1C(=O)N1CCCN([C@H](C)C1)C(=O)C(=C)CN(C)C |r|

BDBM498001

COc1cc(C)c(Sc2cnc(NC(=O)c3cccnc3)s2)cc1C(=O)N1CCN(CC1)C(=O)C=C

BDBM498002

COc1cc(C)c(Sc2cnc(NC(=O)c3ccsc3)s2)cc1C(=O)N1CCN(CC1)C(=O)C=C

BDBM498003

COc1cc(C)c(Sc2cnc(NC(=O)c3cnn(C)c3)s2)cc1C(=O)N1CCN(CC1)C(=O)C=C

BDBM498004

COc1cc(C)c(Sc2cnc(NC(=O)c3cocn3)s2)cc1C(=O)N1CCN(CC1)C(=O)C=C

BDBM498005

COc1cc(C)c(Sc2cnc(NC(=O)c3cnsc3)s2)cc1C(=O)N1CCCN([C@H](C)C1)C(=O)C=C |r|

BDBM498006

COc1cc(C)c(Sc2cnc(NC(=O)C3CC3)s2)cc1C(=O)N1CCCN([C@H](C)C1)C(=O)\C=C\CN(C)C |r|

BDBM498007

COc1cc(C)c(Sc2cnc(NC(=O)c3ccccn3)s2)cc1C(=O)N1CCN(CC1)C(=O)C=C

BDBM498008

COc1cc(C)c(Sc2cnc(NC(=O)c3nccn3C)s2)cc1C(=O)N1CCN(CC1)C(=O)C=C

BDBM498009

COc1cc(C)c(Sc2cnc(NC(=O)c3cn(C)cn3)s2)cc1C(=O)N1CCN(CC1)C(=O)C=C

BDBM498010

COc1cc(C)c(Sc2cnc(Nc3ccccn3)s2)cc1C(=O)N1CCN(CC1)C(=O)C=C

BDBM498011

CC[C@@H]1CN(CCN1C(=O)C=C)C(=O)c1cc(Sc2cnc(NC(=O)C3CC3)s2)c(C)cc1Cl |r|

BDBM498012

CC[C@@H]1CN(CCN1C(=O)C=C)C(=O)c1cc(Sc2cnc(NC(=O)C3CC3)s2)c(C)cc1C |r|

BDBM498013

CC[C@@H]1CN(CCN1C(=O)C=C)C(=O)c1cc(Sc2cnc(NC(=O)C3CC3)s2)c(Cl)cc1C |r|

BDBM498014

COc1cc(C)c(Sc2cnc(NC(=O)c3cnn(CCN(C)C)c3)s2)cc1C(=O)N1CCN(CC1)C(=O)C=C

BDBM498015

COc1cc(C)c(Sc2cnc(Nc3ccccn3)s2)cc1C(=O)N1CCCN([C@H](C)C1)C(=O)C=C |r|

BDBM498016

C=CC(=O)N1CCN(CC1)C(=O)c1cccc(Cc2cnc(NC(=O)C3CC3)s2)c1

BDBM498017

COc1cc(C)c(Cc2cnc(NC(=O)C3CC3)s2)cc1C(=O)N1CCN(CC1)C(=O)C=C

BDBM498018

COc1cc(C)c(Sc2cnc(NC(C)=O)s2)cc1C(=O)N1CCN(CC1)C(=O)C=C

BDBM498019

CC[C@@H]1CN(CCN1C(=O)C=C)C(=O)c1cc(Sc2cnc(NC(=O)C3CC3)s2)c(C)cc1CC |r|

BDBM498020

CCc1cc(C)c(Sc2cnc(NC(=O)C3CC3)s2)cc1C(=O)N1CCCN([C@H](C)C1)C(=O)C=C |r|

BDBM498021

CCc1cc(C)c(Sc2cnc(NC(=O)C3CC3)s2)cc1C(=O)N1CCN(CC1)C(=O)C=C

BDBM498022

CN(C)Cc1cccc(c1)C(=O)Nc1ncc(Sc2cc(C(=O)N3CCN(CC3)C(=O)C=C)c(C)cc2C)s1

BDBM498023

Cc1cc(C)c(cc1Sc1cnc(NC(=O)c2cnn(C)c2)s1)C(=O)N1CCN(CC1)C(=O)C=C

BDBM498024

Cc1cc(C)c(cc1Sc1cnc(NC(=O)c2ccsc2)s1)C(=O)N1CCN(CC1)C(=O)C=C

BDBM498025

COc1cc(C)c(Sc2cnc(NC(=O)N(C)C)s2)cc1C(=O)N1CCCN([C@H](C)C1)C(=O)C=C |r|

BDBM498026

CC[C@@H]1CN(CCCN1C(=O)C=C)C(=O)c1cc(Sc2cnc(NC(=O)C3CC3)s2)c(C)cc1OC |r|

BDBM498027

CC[C@@H]1CN(CCCN1C(=O)C=C)C(=O)c1cc(Sc2cnc(NC(=O)C3CC3)s2)c(C)cc1C |r|

BDBM498028

CC[C@@H]1CN(CCN1C(=O)C=C)C(=O)c1cc(Sc2cnc(NC(=O)c3ccsc3)s2)c(C)cc1OC |r|

BDBM498029

CC[C@@H]1CN(CCN1C(=O)C=C)C(=O)c1cc(Sc2cnc(NC(=O)c3cnsc3)s2)c(C)cc1OC |r|

BDBM498030

CC[C@@H]1CN(CCN1C(=O)C=C)C(=O)c1cc(Sc2cnc(NC(=O)c3cnn(C)c3)s2)c(C)cc1OC |r|

BDBM498031

CC[C@@H]1CN(CCN1C(=O)C=C)C(=O)c1cc(Sc2cnc(NC(=O)c3cnn(CCN(C)C)c3)s2)c(C)cc1OC |r|

BDBM498033

CC[C@@H]1CN(CCN1C(=O)C=C)C(=O)c1cc(Sc2cnc(NC(=O)c3cccc(CN(C)C)c3)s2)c(C)cc1OC |r|

BDBM498034

Cc1cc(C)c(cc1Sc1cnc(NC(=O)C2CC2)s1)C(=O)N1CCN([C@@H](C1)C#N)C(=O)C=C |r|

BDBM498035

CC(=O)Nc1ncc(Sc2cc(C(=O)N3CCN([C@@H](C3)C#N)C(=O)C=C)c(C)cc2C)s1 |r|

BDBM498036

CC[C@@H]1CN(CCCN1C(=O)C=C)C(=O)c1cc(Sc2cnc(NC(=O)c3ccsc3)s2)c(C)cc1OC |r|

BDBM498037

CC[C@@H]1CN(CCCN1C(=O)C=C)C(=O)c1cc(Sc2cnc(NC(=O)c3cnsc3)s2)c(C)cc1OC |r|

BDBM498038

CC[C@@H]1CN(CCCN1C(=O)C=C)C(=O)c1cc(Sc2cnc(NC(=O)c3ccsc3)s2)c(C)cc1C |r|

BDBM498039

CC[C@@H]1CN(CCCN1C(=O)C=C)C(=O)c1cc(Sc2cnc(NC(=O)c3cnsc3)s2)c(C)cc1C |r|

BDBM498040

COc1cc(C)c(Sc2cnc(NC(=O)c3cccc(CN(C)C)c3)s2)cc1C(=O)N1CCN([C@@H](C1)C#N)C(=O)C=C |r|

BDBM498041

CN(C)Cc1cccc(c1)C(=O)Nc1ncc(Sc2cc(C(=O)N3CCN([C@@H](C3)C#N)C(=O)C=C)c(C)cc2C)s1 |r|

BDBM498042

Cc1cc(Cl)c(Sc2cnc(Nc3ccccn3)s2)cc1C(=O)N1CCN(CC1)C(=O)C=C

BDBM498043

C[C@@H]1CN(CCCN1C(=O)C=C)C(=O)c1cc(Cc2cnc(NC(=O)C3CC3)s2)c(C)cc1C |r|

BDBM498044

COc1cc(C)c(Cc2cnc(NC(=O)C3CC3)s2)cc1C(=O)N1CCCN([C@H](C)C1)C(=O)C=C |r|

BDBM498045

CC[C@@H]1CN(CCN1C(=O)C=C)C(=O)c1cc(Sc2cnc(NC(=O)c3cccc(CN(C)C)c3)s2)c(C)cc1C |r|

BDBM498046

CC[C@@H]1CN(CCN1C(=O)C=C)C(=O)c1cc(Sc2cnc(NC(=O)c3ccsc3)s2)c(C)cc1C |r|

BDBM498047

CC[C@@H]1CN(CCN1C(=O)C=C)C(=O)c1cc(Sc2cnc(NC(=O)c3cnsc3)s2)c(C)cc1C |r|

BDBM498048

CC[C@@H]1CN(CCN1C(=O)C=C)C(=O)c1cc(Sc2cnc(NC(=O)c3ccn(C)c3)s2)c(C)cc1OC |r|

BDBM498050

Cc1cc(C)c(cc1Sc1cnc(Nc2ccccn2)s1)C(=O)N1CCN(CC1)C(=O)C=C

BDBM498051

COc1cc(C)c(Sc2cnc(Nc3ccc(CN(C)C)cn3)s2)cc1C(=O)N1CCN(CC1)C(=O)C=C

BDBM498053

COc1cc(C)c(Sc2cnc(Nc3ncccc3C)s2)cc1C(=O)N1CCCN([C@H](C)C1)C(=O)C=C |r|

BDBM498054

COc1cc(C)c(cc1C(=O)N1CCN(CC1)C(=O)C=C)C(C)c1cnc(Nc2ccccn2)s1

BDBM498055

Cc1cnc(Nc2ncc(Sc3cc(C(=O)N4CCN(CC4)C(=O)C=C)c(C)cc3C)s2)c(C)c1

BDBM498056

Cc1cnc(Nc2ncc(Sc3cc(C(=O)N4CCN(CC4)C(=O)C=C)c(C)cc3C)s2)c(C)n1

BDBM498057

COc1cc(C)c(cc1C(=O)N1CCN(CC1)C(=O)C=C)C(C)c1cnc(NC(=O)C2CC2)s1

BDBM498058

COc1cc(C)c(Sc2cnc(NC(=O)c3ccsc3)s2)cc1C(=O)N1CCN(C(=O)C=C)C(C)(C)C1

BDBM498059

COc1cc(C)c(Sc2cnc(NC(=O)c3ccsc3)s2)cc1C(=O)N1CCN(CC1(C)C)C(=O)C=C

BDBM498060

COc1cc(C)c(Sc2cnc(NC(=O)c3ccsc3)s2)cc1C(=O)N1[C@H]2CC[C@@H]1CN(C2)C(=O)C=C |r,THB:23:25:30.31.32:27.28|

BDBM498061

COc1cc(C)c(Sc2cnc(NC(=O)c3ccsc3)s2)cc1C(=O)N1CCN(C[C@@H]1C)C(=O)C=C |r|

BDBM498062

COc1cc(C)c(Sc2cnc(NC(=O)c3ccsc3)s2)cc1C(=O)N1CC2(C1)CCN(C2)C(=O)C=C

BDBM498063

COc1cc(C)c(Sc2cnc(NC(=O)c3ccsc3)s2)cc1C(=O)N(C)[C@@H]1CCN(C1)C(=O)C=C |r|

BDBM498064

COc1cc(C)c(Sc2cnc(Nc3ccccn3)s2)cc1C(=O)N1CCCN([C@@H](C1)C(C)C)C(=O)C=C |r|

BDBM498065

COc1cc(C)c(Sc2cnc(NC(=O)C3CC3)s2)cc1C(=O)N1CCCN([C@@H](C1)C(C)C)C(=O)C=C |r|

BDBM498066

COc1cc(C)c(Sc2cnc(NC(=O)c3ccsc3)s2)cc1C(=O)N1CCCN([C@@H](C1)C(C)C)C(=O)C=C |r|

BDBM498067

COc1cc(C)c(Sc2cnc(Nc3ccccn3)s2)cc1C(=O)N1C[C@@H]2CC[C@H](C1)N2C(=O)C=C |r,THB:32:31:24.25.30:27.28|

BDBM498068

COc1cc(C)c(Sc2cnc(Nc3ccccn3)s2)cc1C(=O)N1CCN(C[C@@H]1C)C(=O)C=C |r|

BDBM498069

COc1cc(C)c(Sc2cnc(Nc3ccccn3)s2)cc1C(=O)N1CC2(C1)CCN(C2)C(=O)C=C

BDBM498071

COc1cc(C)c(Sc2cnc(Nc3ccccn3)s2)cc1C(=O)N(C)[C@@H]1CCN(C1)C(=O)C=C |r|

BDBM498072

COc1cc(C)c(Sc2cnc(NC(=O)c3ccsc3)s2)cc1C(=O)N1C[C@@H]2CC[C@H](C1)N2C(=O)C=C |r,THB:33:32:25.26.31:28.29|

BDBM498073

COc1cc(C)c(Sc2cnc(NC(=O)c3ccsc3)s2)cc1C(=O)N1CCN([C@@H](C1)C#N)C(=O)C=C |r|

BDBM515327

COc1cc(ccc1C(=O)Nc1ccccn1)-c1nc([C@H](C)NC(=O)C#CC)n2ccnc(N)c12 |r|

BDBM515328

COc1cc(ccc1C(=O)Nc1cc(ccn1)C(F)(F)F)-c1nc([C@@H]2CCCN2C(=O)C#CC)n2ccnc(N)c12 |r|

BDBM515329

COc1cc(ccc1C(=O)Nc1ccccn1)-c1nc([C@H](C)N(C)C(=O)C#CC)n2ccnc(N)c12 |r|

BDBM515330

COc1cc(ccc1C(=O)Nc1nccs1)-c1nc([C@@H]2CCCN2C(=O)C#CC)n2ccnc(N)c12 |r|

BDBM515331

COc1cc(ccc1C(=O)Nc1ccc(C)cn1)-c1nc([C@H](C)N(C)C(=O)C#CC)n2ccnc(N)c12 |r|

BDBM515332

COc1cc(ccc1C(=O)Nc1ccc(C)cn1)-c1nc([C@@H]2CCCN2C(=O)C#CC)n2ccnc(N)c12 |r|

BDBM515333

CC#CC(=O)N[C@@H](C)c1nc(-c2ccc(cc2)C(=O)Nc2ccc(C)cn2)c2c(N)nccn12 |r|

BDBM515334

COc1cc(ccc1C(=O)Nc1ccc(C)cn1)-c1nc([C@H](C)NC(=O)C#CC)n2ccnc(N)c12 |r|

BDBM515335

CC#CC(=O)N(C)[C@@H](C)c1nc(-c2ccc(cc2)C(=O)Nc2ccc(C)cn2)c2c(N)nccn12 |r|

BDBM515336

CC#CC(=O)N(C)[C@@H](C)c1nc(-c2ccc(cc2)C(=O)Nc2ccccn2)c2c(N)nccn12 |r|

BDBM515338

COC\C=C\C(=O)N(C)[C@@H](C)c1nc(-c2ccc(cc2)C(=O)Nc2ccc(C)cn2)c2c(N)nccn12 |r|

BDBM515339

COC\C=C\C(=O)N[C@@H](C)c1nc(-c2ccc(cc2)C(=O)Nc2ccc(C)cn2)c2c(N)nccn12 |r|

BDBM515340

CC#CC(=O)N[C@@H](C)c1nc(-c2ccc(cc2)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)nccn12 |r|

BDBM515341

COc1cc(ccc1C(=O)Nc1cc(ccn1)C(F)(F)F)-c1nc([C@H](C)NC(=O)C#CC)n2ccnc(N)c12 |r|

BDBM515342

COC\C=C\C(=O)N[C@@H](C)c1nc(-c2ccc(C(=O)Nc3ccc(C)cn3)c(OC)c2)c2c(N)nccn12 |r|

BDBM515343

COc1cc(ccc1C(=O)Nc1cc(ccn1)C(F)(F)F)-c1nc([C@H](C)N(C)C(=O)C#CC)n2ccnc(N)c12 |r|

BDBM515344

CC#CC(=O)N1CCC[C@H]1c1nc(-c2ccc(cc2)C(=O)Nc2cscn2)c2c(N)nccn12 |r|

BDBM50269557

CC(C)C(=O)N1CCC[C@H](C1)c1nc(-c2ccc(cc2F)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)nccn12 |r|

BDBM267959

COCC(=O)N1CCC[C@H](C1)c1nc(-c2ccc(cc2F)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)nccn12 |r|

BDBM267935

COCC(=O)N1CCO[C@H](C1)c1nc(-c2ccc(cc2F)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)nccn12 |r|

BDBM50269555

Nc1nccn2c(nc(-c3ccc(cc3F)C(=O)Nc3cc(ccn3)C(F)(F)F)c12)[C@H]1CN(CCO1)C1CCOCC1 |r|

BDBM50269556

CC(C)C(=O)N1CCO[C@H](C1)c1nc(-c2ccc(cc2F)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)nccn12 |r|

BDBM50269558

Nc1nccn2c(nc(-c3ccc(cc3F)C(=O)Nc3cc(ccn3)C(F)(F)F)c12)[C@@H]1CCCN(C1)C1CCOCC1 |r|

BDBM50269615

Nc1ncnc2n(C[C@H]3CCCN3S(=O)(=O)C=C)cc(-c3ccc4OCOc4c3)c12 |r|

BDBM202141

CCN1CCN(Cc2ccc(nc2)-c2cc3c(ccnc3[nH]2)-c2cccc(N3CCOc4cc(cc(F)c4C3=O)C3CC3)c2CO)CC1

BDBM202197

OCc1c(cccc1-c1ccnc2[nH]c(cc12)C1=CCN(CC1)C1COC1)N1CCOc2cc(cc(F)c2C1=O)C1CC1 |t:20|

BDBM50455738

Nc1ncnc2n3C[C@@H](NC(=O)C=C)C(=C)c3c(-c3ccc(Oc4ccccc4)cc3)c12 |r|

BDBM50357312

Nc1ncnc2n(nc(-c3ccc(Oc4ccccc4)cc3)c12)[C@@H]1CCCN(C1)C(=O)C=C

BDBM50458587

Nc1cc(ccn1)-c1ccc(s1)C(=O)Nc1nc2ccccc2n1[C@H]1C[C@]2(C1)CCN(C2)C(=O)C=C |r,wU:26.32,24.27,(45.45,-6.32,;44.05,-6.96,;42.79,-6.07,;41.4,-6.71,;41.25,-8.25,;42.5,-9.14,;43.9,-8.5,;40.15,-5.82,;40.13,-4.29,;38.67,-3.83,;37.78,-5.08,;38.69,-6.31,;36.25,-5.09,;35.47,-3.76,;35.49,-6.43,;33.95,-6.44,;33.03,-5.19,;31.56,-5.68,;30.22,-4.91,;28.89,-5.69,;28.89,-7.23,;30.22,-8,;31.56,-7.23,;33.04,-7.7,;33.52,-9.16,;34.9,-9.85,;34.2,-11.23,;32.83,-10.54,;35.71,-11.56,;35.86,-13.09,;34.45,-13.71,;33.42,-12.56,;34.12,-15.22,;35.26,-16.25,;32.65,-15.68,;32.32,-17.19,)|

BDBM164808

Cc1[nH]c2c(ccc(-c3cccc(NC(=O)C=C)c3C)c2c1C)C(N)=O

BDBM377342

Cc1c(NC(=O)C=C)cccc1-c1ccc(C(N)=O)c2[nH]c3CC(CCc3c12)C(C)(C)O

BDBM165209

Cc1[nH]c2c(ccc(-c3cccc(NS(=O)(=O)C=C)c3C)c2c1C)C(N)=O

BDBM50466664

OCc1cccc(c1)-c1c[nH]c2ncnc(-c3ccc4CC[C@H](NC#N)c4c3)c12 |r|

BDBM50466671

Fc1cccc(c1)S(=O)(=O)N[C@@H]1C[C@H](NC#N)c2cc(ccc12)-c1ncnc2[nH]ccc12 |r|

BDBM50466660

N#CN[C@H]1CCc2ccc(cc12)-c1ncnc2[nH]ccc12 |r|

BDBM50505541

[H][C@]12C[C@@H](NCCOCCOCCOCCNC(=O)CCC3=[N+]4C(C=C3)=Cc3c(C)cc(C)n3[B-]4(F)F)[C@@H](OC)[C@](C)(O1)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13 |r,c:24,26,t:21|

BDBM2579

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

BDBM50511997

Nc1ncnc2n(C[C@H]3CCCN3C[C@@H]3CO3)cc(-c3ccc(Oc4ccccc4)cc3)c12 |r|

BDBM50519662

CN(C)c1ccc(cc1)C(=O)Nc1cccc(NC(=O)COc2ccc3c(c2)occc3=O)c1

BDBM348323

O=C(Nc1cccc(c1)[C@H]1CCCN(C1)c1ncnc2[nH]ccc12)Nc1ccccc1N1CCCC1 |r|

BDBM50522686

c1cc(cc(c1)NC(=O)Nc2c(cccc2F)N3CCCC3)[C@@H]4CN(CCN4CCO)c5c6cc[nH]c6ncn5

BDBM250082

NC(=O)c1c2NCC[C@@H](C3CCN(CC3)C(=O)C=C)n2nc1-c1ccc(Oc2ccccc2)cc1 |r|

BDBM50194715

Cc1c(cccc1-n1cnc2ccccc2c1=O)-c1ccc(C(O)=N)c2[nH]c3cc(ccc3c12)C(C)(C)O

BDBM50537742

C[C@@H]1C[C@H]1C(=O)N1CCN(C[C@H]1C)c1cnc(C#N)c(n1)-c1cnn(C)c1 |r|

BDBM164638

CC#CC(=O)N[C@H]1CCCN(C1)c1c(F)cc(C(N)=O)c2[nH]c(C)c(C)c12 |r|

BDBM50524289

COc1cc(Nc2ccnc3ccc(cc23)C(F)(F)F)cc(OC)c1OC

BDBM230107

Cc1c(cccc1-n1c(=O)cc2c(Cl)cccn2c1=O)-c1c(Cl)cc(C(N)=O)c2[nH]c3cc(ccc3c12)C(C)(C)O |(3.03,8.9,;1.7,8.13,;.37,8.9,;-.97,8.13,;-.97,6.59,;.37,5.82,;1.7,6.59,;3.03,5.82,;3.03,4.28,;1.7,3.51,;4.37,3.51,;5.7,4.28,;7.03,3.51,;7.03,1.97,;8.37,4.28,;8.37,5.82,;7.03,6.59,;5.7,5.82,;4.37,6.59,;4.37,8.13,;.37,10.44,;1.7,11.21,;3.03,10.44,;1.7,12.75,;.37,13.52,;.37,15.06,;1.7,15.83,;-.97,15.83,;-.97,12.75,;-2.43,13.22,;-3.34,11.98,;-4.87,11.82,;-5.49,10.41,;-4.59,9.16,;-3.06,9.32,;-2.43,10.73,;-.97,11.21,;-7.03,10.41,;-6.64,8.92,;-8.37,9.64,;-7.8,11.74,)|

BDBM267790

C[C@H]1CC[C@H](CN1C(=O)C1CC1)c1nc(-c2ccc(cc2F)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)nccn12 |r|

BDBM50558112

CC1(COC1)C(=O)N1CCC[C@H](C1)c1nc(-c2ccc(cc2F)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)nccn12 |r|

BDBM267703

CC1(COC1)C(=O)N1CCC[C@H](C1)c1nc(-c2ccc(cc2)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)nccn12 |r|

BDBM50558812

Nc1ncnc2n(CC3CCN(CC3)C(=O)C=C)cc(-c3ccc4OCOc4c3)c12

BDBM50559908

CCc1ccnc(NC(=O)c2ccc(Oc3ccnc4ccc(NC(=O)C=C)cc34)cc2)c1

BDBM50559919

CC#CC(=O)Nc1cc2c(Oc3ccc(cc3)C(=O)Nc3ccccn3)ccnc2cc1OCCN1CCOCC1

BDBM50559921

COc1cc2nccc(Oc3ccc(cc3)C(=O)Nc3ccccn3)c2cc1NC(=O)C#CCCN1CCOCC1

BDBM50560327

[H][C@]12COC(=O)N1C[C@@H](CC2)c1nc(-c2ccc(cc2)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)nccn12 |r|

BDBM255256

Nc1nccn2c(nc(-c3ccc(cc3)C(=O)Nc3cc(ccn3)C(F)(F)F)c12)[C@@H]1CC[C@H]2CCC(=O)N2C1 |r|

BDBM255303

CC1(C)OC(=O)N2C[C@@H](CC[C@@H]12)c1nc(-c2ccc(cc2)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)nccn12 |r|

BDBM255338

COc1cc(ccc1-c1nc([C@@H]2CC[C@H]3CCC(=O)N3C2)n2ccnc(N)c12)C(=O)Nc1cc(ccn1)C(F)(F)F |r|

BDBM255370

Nc1nccn2c(nc(-c3ccc(cc3OC3CC3)C(=O)Nc3cc(ccn3)C(F)(F)F)c12)[C@@H]1CC[C@H]2CCC(=O)N2C1 |r|

BDBM378885

Cc1ccc(NC(=O)c2ccc(C)c(c2)C(F)(F)F)cc1C#Cc1nn([C@H]2CC[C@H](O)CC2)c2ncnc(N)c12 |r,wU:26.27,wD:29.31,(-5.46,5.4,;-3.98,5.8,;-3.58,7.29,;-2.09,7.69,;-1,6.6,;.49,7,;1.57,5.91,;1.18,4.42,;3.06,6.31,;3.46,7.79,;4.95,8.19,;6.04,7.1,;7.53,7.5,;5.64,5.62,;4.15,5.22,;6.73,4.53,;8.22,4.93,;6.33,3.04,;7.82,3.44,;-1.4,5.11,;-2.89,4.71,;-3.29,3.22,;-3.68,1.74,;-4.08,.25,;-3.18,-1,;-4.08,-2.24,;-3.68,-3.73,;-2.2,-4.13,;-1.8,-5.62,;-2.89,-6.7,;-2.49,-8.19,;-4.38,-6.31,;-4.77,-4.82,;-5.55,-1.77,;-6.88,-2.54,;-8.22,-1.77,;-8.22,-.23,;-6.88,.54,;-6.88,2.08,;-5.55,-.23,)|

BDBM467718

Cc1cc(Oc2ccccc2)ccc1-n1c2ccnc3sc(C(=O)N[C@@H]4CCN(C4)C(=O)C=C)c([nH]c1=O)c23 |r,wD:25.26,(-1,4.5,;-2.28,3.77,;-3.62,4.54,;-4.95,3.77,;-6.28,4.54,;-7.62,3.77,;-8.95,4.54,;-10.28,3.77,;-10.28,2.23,;-8.95,1.46,;-7.62,2.23,;-4.95,2.23,;-3.62,1.46,;-2.28,2.23,;-.95,1.46,;-.95,-.08,;-2.28,-.85,;-2.28,-2.39,;-.95,-3.16,;.39,-2.39,;1.85,-2.87,;2.76,-1.62,;4.29,-1.65,;5.09,-.33,;5.04,-3,;6.58,-3,;7.49,-1.75,;8.95,-2.23,;8.95,-3.77,;7.49,-4.24,;10.28,-4.54,;10.28,-6.08,;11.62,-3.77,;11.62,-2.23,;1.72,-.08,;1.72,1.46,;.39,2.23,;.39,3.77,;.39,-.85,)|

BDBM350321

C=CC(=O)N1CC[C@@H](C1)Oc1nc(cc2ccccc12)-c1n[nH]c(=O)[nH]1 |r|

BDBM50588010

Clc1cc(Cl)cc(NCC(=O)N[C@@H]2CCCN(C2)c2ncnc3[nH]ccc23)c1 |r|

BDBM50588031

Clc1cc(Cl)cc(N[C@H](C2CC2)C(=O)N[C@@H]2CCCN(C2)c2ncnc3[nH]ncc23)c1 |r|

BDBM50588040

Fc1cc(Cl)cc(N[C@H](C2CC2)C(=O)N[C@@H]2CCCN(C2)c2ncnc3[nH]ncc23)c1 |r|

BDBM50588041

FC(F)(F)c1cc(Cl)cc(N[C@H](C2CC2)C(=O)N[C@@H]2CCCN(C2)c2ncnc3[nH]ncc23)c1 |r|

BDBM50588036

Clc1cc(Cl)cc(N[C@H](C2CC2)C(=O)N[C@@H]2CCCN(C2)c2ncnc3[nH]ccc23)c1 |r|

BDBM50588042

c1c[nH]c2c1c(ncn2)N3CCC[C@H](C3)NC(=O)[C@@H](C4CC4)Nc5cc(cc(c5)Cl)F

BDBM50588043

FC(F)(F)c1cc(Cl)cc(N[C@H](C2CC2)C(=O)N[C@@H]2CCCN(C2)c2ncnc3[nH]ccc23)c1 |r|

BDBM348593

Fc1cc(Cl)cc(N[C@@H]2CCCN([C@@H]3CCCN(C3)c3ncnc4[nH]ccc34)C2=O)c1 |r|

BDBM50589191

CC(C)(C)\C=C(/C#N)C(=O)N1CCC[C@H](C1)n1nc(-c2ccc(Oc3ccccc3)cc2F)c2c(N)ncnc12

BDBM50589186

CN1CCN(CC1)C(C)(C)\C=C(/C#N)C(=O)N1CCC[C@H](C1)n1nc(-c2ccc(Oc3ccccc3)cc2F)c2c(N)ncnc12 |r|

BDBM50589206

CC(C)(\C=C(\C#N)C(=O)N1CCC[C@@H]1Cn1nc(-c2ccc(Oc3ccccc3)cc2F)c2c(N)ncnc12)N1CCOCC1 |r|

BDBM50557485

CC(C)(\C=C(/C#N)C(=O)N1CCC[C@H](C1)n1nc(-c2ccc(Oc3ccccc3)cc2F)c2c(N)ncnc12)N1CCN(CC1)C1COC1

BDBM50594745

CC#CC(=O)N1CCC[C@H]1n1nc(-c2ccc(cc2)C(=O)Nc2ccccn2)c2c(N)ncnc12 |r|

BDBM50594746

NC(=O)C1C2NCC[C@@H](C3CCN(CC3)C(=O)C=C)N2N=C1c1ccc(Oc2ccccc2)cc1 |r,c:22|

BDBM194087

CC#CC(=O)N1CC[C@H](C1)N2c3c(c(ncn3)N)N(C2=O)c4ccc(cc4)Oc5ccccc5

BDBM50596438

CC(C)CN1CCN(Cc2ccc(cc2C)-c2ncnc(N)c2OCCN(C)C(=O)C=C)C(=O)C1

BDBM259407

CN(CCOc1c(N)ncnc1-c1cc(F)cc(NC(=O)c2ccc(cc2F)C2CC2)c1C)C(=O)C=C

BDBM50244495

C[C@@H]1CN(CCN1c1ccc(Nc2cc(cn(C)c2=O)-c2ccnc(N3CCn4c5CC(C)(C)Cc5cc4C3=O)c2CO)nc1)C1COC1 |r|

BDBM50186460

Cc1cc(c(cc1Sc2cnc(s2)NC(=O)c3ccc(cc3)CN[C@@H](C)C(C)(C)C)C(=O)N4CCN(CC4)C(=O)C)OC

BDBM50613196

COc1cc(cc(OC)c1C)-c1nn2[C@@H](CCNc2c1C(N)=O)C1CCN(CC1)C(=O)C=C |r|

BDBM250054

CC#CC(=O)N1CCC(CC1)[C@@H]1CCNc2c(C(N)=O)c(nn12)-c1ccc(Oc2ccccc2)cc1 |r|

BDBM610463

CC1CN(CCO1)c1ccncc1NC(=O)c1ccnn2cc(nc12)-c1ccccc1

BDBM50625067

C=CC(=O)N1CC[C@H](C1)n1nc(Nc2ccc(Oc3ccccc3)cc2)c2c[nH]c3ncnc1c23 |r|

BDBM50212764

CN(C(=O)C1CCCCC1)c1ccc2n(CCCN)c(NC(=O)c3cccs3)nc2c1

BDBM50075102

Cc1cn(CCN2CCN(CC2)c2ccccc2-c2cc(cc(c2)C(=O)NCCCN2CCCC2)C#N)c2ccccc12

BDBM185674

CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3cc(nn3-c3ccc4ncccc4c3)C(C)(C)C)c(F)c2)ccn1

BDBM50182839

CN(C)c1ccc(cc1)C(=O)Nc1ncc(SCc2cccc(c2)C(=O)N2CCN(CC2)C(C)=O)s1

BDBM50182833

CC(NCc1ccc(cc1)C(=O)Nc1ncc(SCc2cc(C)c(C)c(c2)C(=O)N2CCN(CC2)C(C)=O)s1)C(C)(C)C

BDBM130909

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

BDBM26813

CN(C(=O)c1ccccc1)c1ccc2n(CCC(N)=O)c(NC(=O)c3ccc(cc3)C#N)nc2c1

BDBM50274001

CCN(C(=O)c1ccccc1)c1ccc2n(CCC(N)=O)c(NC(=O)c3ccc(cc3)C#N)nc2c1

BDBM26812

CN(C(=O)c1ccccc1)c1ccc2n(CCC(N)=O)c(NC(=O)c3ccc(Cl)cc3)nc2c1

BDBM26145

Cc1ccc(O)cc1Nc1ccnc(Nc2cccc(c2)C(N)=O)n1

BDBM50126419

CN(C)c1ccc(cc1)-c1cc2ncccc2c(NCCCCN)n1

BDBM50273637

Nc1ncnc2n(cc(-c3cccc(O)c3)c12)C1CCNCC1

BDBM4552

CN1CCN(CC1)CCCOc2cc3c(cc2OC)c(c(cn3)C#N)Nc4cc(c(cc4Cl)Cl)OC

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

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

BDBM50026612

CN1CCN(CC1)CC(=O)N(C)c2ccc(cc2)N/C(=C\3/c4ccc(cc4NC3=O)C(=O)OC)/c5ccccc5

BDBM25117

CNC(=O)c1ccccc1Sc2ccc3c(c2)[nH]nc3/C=C/c4ccccn4

BDBM50355494

COc1cc(Oc2ccnc3cc(OC)c(OC)cc23)ccc1NC(=O)NC(C)c1nccs1

BDBM15138

Cc1n[nH]c2ccc(cc12)-c1cncc(OC[C@@H](N)Cc2ccccc2)c1 |r|

BDBM32362

COc1ccc(cc1)COc2ccc(cc2OC)Cc3cnc(nc3N)N

BDBM5446

COCCOc1cc2c(cc1OCCOC)ncnc2Nc3cccc(c3)C#C

BDBM4851

Clc1ccc(Nc2nnc(Cc3ccncc3)c3ccccc23)cc1

BDBM21079

Cc1ccc(F)c(NC(=O)Nc2ccc(cc2)-c2cccc3[nH]nc(N)c23)c1

BDBM17055

CN(C)C[C@@H]1CCn2cc(C3=C(C(=O)NC3=O)c3cn(CCO1)c1ccccc31)c1ccccc21 |r,t:10|

BDBM13533

Cc1ccc(cc1)-n1nc(cc1NC(=O)Nc1ccc(OCCN2CCOCC2)c2ccccc12)C(C)(C)C

BDBM482158

CC(C)S(=O)(=O)c1ccccc1Nc2c(cnc(n2)Nc3ccc(cc3OC)N4CCC(CC4)N5CCN(CC5)C)Cl

BDBM31088

Cn1c(Nc2ccc(cc2)C(F)(F)F)nc2cc(Oc3ccnc(c3)-c3ncc([nH]3)C(F)(F)F)ccc12

BDBM25919

Cc1cnc2c(NCCN)nc3ccc(C)cc3n12

BDBM50132260

Fc1ccc(C(=O)NOCC2CC2)c(Nc2ccc(I)cc2Cl)c1F

BDBM50355496

O=C(N1CCNCC1)c1ccc(\C=C\c2n[nH]c3ccccc23)cc1

BDBM5931

CC(C)(C)c1cnc(o1)CSc2cnc(s2)NC(=O)C3CCNCC3

BDBM60589

Cn1cc(cn1)-c1ccc2nnc(Sc3ccc4ncccc4c3)n2n1

BDBM25028

CS(=O)(=O)N1CCN(Cc2cc3nc(nc(N4CCOCC4)c3s2)-c2cccc3[nH]ncc23)CC1

BDBM25045

Oc1cccc(c1)-c1nc(N2CCOCC2)c2oc3ncccc3c2n1

BDBM50242737

Cc1[nH]c(\C=C2/C(=O)Nc3ccc(cc23)S(=O)(=O)Cc2c(Cl)cccc2Cl)c(C)c1C(=O)N1CCC[C@@H]1CN1CCCC1 |r|

BDBM31095

Cc1[nH]c(\C=C2/C(=O)Nc3ccc(F)cc23)c(C)c1C(=O)NC[C@H](O)CN1CCOCC1

BDBM26300

CCN(CCCOc1ccc2c(c1)ncnc2Nc3cc(n[nH]3)CC(=O)Nc4cccc(c4)F)CCO

BDBM36409

CC(C)n1nc(-c2cc3cc(O)ccc3[nH]2)c2c(N)ncnc12

BDBM50355497

Cn1cnc2c1cc(c(c2F)Nc3ccc(cc3Cl)Br)C(=O)NOCCO

BDBM15244

c1cc(c(c(c1)Cl)C2=C3C=CC(=NN3C=NC2=O)Sc4ccc(cc4F)F)Cl

BDBM5445

CS(=O)(=O)CCNCc1ccc(o1)-c1ccc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2c1

BDBM50355495

Cc1ccc(cc1Nc2nc(cs2)c3cccnc3)NC(=O)c4ccc(cc4)CN5CCN(CC5)C

BDBM50306682

C[C@@H](Oc1cc(cnc1N)-c1cnn(c1)C1CCNCC1)c1c(Cl)ccc(F)c1Cl |r|

BDBM12621

COc1ccc(c(c1C(=O)c2cnc(nc2N)NC3CCN(CC3)S(=O)(=O)C)F)F

BDBM50322823

CN(C)C/C=C/C(=O)Nc1cc2c(cc1O[C@H]3CCOC3)ncnc2Nc4ccc(c(c4)Cl)F

BDBM25013

CCn1c(nc2c(ncc(OC[C@H]3CCCNC3)c12)C#CC(C)(C)O)-c1nonc1N |r|

BDBM25617

CCCS(=O)(=O)Nc1ccc(F)c(C(=O)c2c[nH]c3ncc(Cl)cc23)c1F

BDBM24654

Clc1cccc(Cl)c1C(=O)Nc1cn[nH]c1C(=O)NC1CCNCC1

BDBM50161957

CCOc1cc2ncc(C#N)c(Nc3ccc(OCc4ccccn4)c(Cl)c3)c2cc1NC(=O)\C=C\CN(C)C

BDBM60665

CC1(C(=O)Nc2c(ccc(n2)Nc3c(cnc(n3)Nc4cc(c(c(c4)OC)OC)OC)F)O1)C

BDBM25084

Nc1nc(N)c2nc(-c3cccc(O)c3)c(nc2n1)-c1cccc(O)c1

BDBM25628

OCCn1cc(c(n1)-c1ccncc1)-c1ccc2C(CCc2c1)N=O

BDBM31093

OC(=O)c1ccc(Nc2ncc3CN=C(c4cc(Cl)ccc4-c3n2)c2c(F)cccc2F)cc1 |c:13|

BDBM24773

CC1(CNc2c1ccc(c2)NC(=O)c3cccnc3NCc4ccncc4)C

BDBM50355501

c1c[nH]c2c1c(ncn2)c3cnn(c3)[C@H](CC#N)C4CCCC4

BDBM4779

C=CC(=O)Nc1cc2c(cc1OCCCN3CCOCC3)ncnc2Nc4ccc(c(c4)Cl)F

BDBM50128285

Cn1cc(C2=C(C(=O)NC2=O)c2cn(C3CCN(Cc4ccccn4)CC3)c3ccccc23)c2ccccc12 |t:4|

BDBM50355504

COc1cc2c(Oc3ccc(NC(=O)C4(CC4)C(=O)NC4=CCC(F)C=C4)cc3F)ccnc2cc1OCCCN1CCOCC1 |c:26,t:21|

BDBM25118

CN1CCN(CC1)c1ccc2nc([nH]c2c1)-c1c(N)c2c(F)cccc2[nH]c1=O

BDBM50193995

C[C@@H]1CCN(C[C@@H]1N(C)c1ncnc2[nH]ccc12)C(=O)CC#N |r|

BDBM50184807

C[C@@H](O)COc1cn2ncnc(Oc3ccc4[nH]c(C)cc4c3F)c2c1C

BDBM31085

CCN1CCN(Cc2ccc(NC(=O)Nc3ccc(Oc4cc(NC)ncn4)cc3)cc2C(F)(F)F)CC1

BDBM50332294

Cc1cnc(nc1Nc2cccc(c2)S(=O)(=O)NC(C)(C)C)Nc3ccc(cc3)OCCN4CCCC4

BDBM5655

CN1CC[C@@H]([C@H](O)C1)c1c(O)cc(O)c2c1oc(cc2=O)-c1ccccc1Cl |r|

BDBM13530

CN1CCN(Cc2ccc(cc2)C(=O)Nc2ccc(C)c(Nc3nccc(n3)-c3cccnc3)c2)CC1

BDBM50309910

COc1c(Cl)cc2c3ccncc3[nH]c2c1NC(=O)c1cccnc1C

BDBM25121

CC[C@H]1N(C2CCCC2)c2nc(Nc3ccc(cc3OC)C(=O)NC3CCN(C)CC3)ncc2N(C)C1=O |r|

BDBM27817

CNC(=O)c1c(F)cccc1Nc1nc(Nc2cc3N(CCc3cc2OC)C(=O)CN(C)C)nc2[nH]ccc12

BDBM6568

CN1c2c(cnc(n2)Nc3cccc(c3)SC)C=C(C1=O)c4c(cccc4Cl)Cl

BDBM50331096

COc1cc2c(Oc3ccc4[nH]c(C)cc4c3F)ncnc2cc1OCCCN1CCCC1

BDBM50355499

CN(C)CC(=O)N1CCC(CC1)c1ccc(NC(=O)c2ncc([nH]2)C#N)c(c1)C1=CCCCC1 |t:31|

BDBM50355500

C[C@@H](Oc1cc(sc1C(N)=O)-n1cnc2ccc(CN3CCN(C)CC3)cc12)c1ccccc1C(F)(F)F |r|

BDBM50237710

Cc1cn(cn1)-c1cc(NC(=O)c2ccc(C)c(Nc3nccc(n3)-c3cccnc3)c2)cc(c1)C(F)(F)F

BDBM7533

CC[C@H](CO)Nc1nc(NCc2ccccc2)c2ncn(C(C)C)c2n1 |r|

BDBM13531

Oc1ccc(cc1)-c1nc(c([nH]1)-c1ccc(F)cc1)-c1ccncc1

BDBM50110208

NC(=O)c1ccc(cc1)-c1nc(c([nH]1)-c1ccc2OCOc2c1)-c1ccccn1

BDBM31340

COCC(=O)NC\C=C\c1ccc2ncnc(Nc3ccc(Oc4ccc(C)nc4)c(C)c3)c2c1

BDBM6866

c1cc(c(c(c1)F)C(=O)n2c(nc(n2)Nc3ccc(cc3)S(=O)(=O)N)N)F

BDBM50381092

CC(C)(O)c1ccc2cc([nH]c2c1)-c1n[nH]c2ccsc12

BDBM50381094

CCC(O)(CC)c1ccc2cc([nH]c2c1)-c1n[nH]c2ccsc12

BDBM50381093

CCC(O)(CC)c1cc(OCCN2CCOCC2)c2cc([nH]c2c1)-c1n[nH]c2ccsc12

BDBM50381091

CCC(O)(CC)c1ccc2c(c([nH]c2c1)-c1n[nH]c2ccsc12)-c1ccc(OC)cc1

BDBM50381096

CCC(O)(CC)c1ccc2cc([nH]c2c1)-c1n[nH]c2cc(sc12)C(F)F

BDBM50381097

CCC(O)(CC)c1ccc2cc([nH]c2c1)-c1n[nH]c2cc(sc12)-c1ccccc1

BDBM50442139

CCc1ccc2nc(Nc3cc(Cc4ccccc4)nc(N[C@H]4CC[C@H](O)CC4)n3)sc2c1 |r,wU:25.26,wD:22.22,(34.44,-4.96,;33.51,-3.74,;31.98,-3.93,;31.04,-2.71,;29.52,-2.9,;28.92,-4.33,;27.47,-4.83,;27.5,-6.37,;26.29,-7.31,;26.32,-8.85,;25,-9.64,;25.03,-11.18,;23.69,-11.97,;22.36,-11.2,;22.37,-9.66,;21.03,-8.89,;19.69,-9.66,;19.69,-11.2,;21.03,-11.97,;26.37,-11.93,;27.69,-11.14,;29.03,-11.88,;30.36,-11.09,;31.7,-11.84,;33.02,-11.06,;33,-9.52,;34.33,-8.73,;31.66,-8.77,;30.34,-9.56,;27.67,-9.6,;28.98,-6.82,;29.86,-5.55,;31.38,-5.35,)|

BDBM50012060

Cc1c(NC(=O)c2ccc(cc2)C(C)(C)C)cccc1-c1nc(Nc2ccc(cc2)C(=O)N2CCOCC2)c2nc[nH]c2n1

BDBM50020471

Cc1ccc(NC(=O)c2cccc(c2)C(F)(F)F)cc1C(=O)Nc1cnc(Nc2cccc(NC(=O)C=C)c2)nc1

BDBM50020476

Cc1ccc(NC(=O)c2cccc(c2)C(F)(F)F)cc1C(=O)Nc1cnc(Nc2cccc(NC(=O)CNC(=O)C=C)c2)nc1

BDBM50109532

CN1CCN(CC1)c2ccc(c(c2)OC)Nc3ncc(c(n3)NCc4cccc(c4)NC(=O)C=C)Cl

BDBM50123455

CN1CCN(CC1)C(=O)c1ccc2c(c1)[nH]c1c(ccc(-c3ccccc3F)c21)C(N)=O

BDBM50123456

CN1CCN(CC1)C(=O)c1ccc2c(c1)[nH]c1c(ccc(-c3cccc(NC(C)=O)c3C)c21)C(N)=O

BDBM50123457

CN(C)c1ccc(cc1)C(=O)Nc1cccc(c1F)-c1ccc(C(N)=O)c2[nH]c3cc(ccc3c12)C(=O)N1CCN(C)CC1

BDBM50131843

COc1cc(OCCN(C)C)ccc1Nc1ncc2c(C)cc(=O)n(-c3cccc(NC(=O)C=C)c3)c2n1

BDBM50135286

Cn1c2nc(Nc3ccc4[nH]ccc4c3)ncc2cc(c1=O)S(=O)(=O)c1ccc(F)cc1F

BDBM50194720

[H][C@@]1(CCc2c(C1)[nH]c1c(cc(F)c(-c3cccc(c3C)-n3c(=O)n(C)c4c(F)cccc4c3=O)c21)C(O)=N)C(C)(C)O |r,wU:1.0,(7.64,3.3,;7.24,1.81,;5.84,2.47,;4.58,1.59,;4.71,.05,;6.1,-.6,;7.37,.28,;4.84,-1.48,;3.3,-1.34,;2.9,-2.83,;1.41,-3.22,;.33,-2.13,;-1.16,-2.53,;.73,-.64,;-.36,.45,;.05,1.93,;-1.04,3.03,;-2.53,2.63,;-2.93,1.15,;-1.85,.05,;-2.25,-1.43,;-4.42,.75,;-4.82,-.73,;-3.74,-1.83,;-6.31,-1.13,;-6.71,-2.62,;-7.4,-.04,;-8.89,-.43,;-9.29,-1.92,;-9.97,.66,;-9.57,2.15,;-8.08,2.54,;-6.99,1.45,;-5.51,1.84,;-5.1,3.33,;2.22,-.25,;3.99,-3.92,;5.48,-3.53,;3.58,-5.41,;8.77,1.67,;8.91,3.21,;8.63,.14,;10.3,1.53,)|