SMILES for Non-receptor tyrosine-protein kinase TYK2/Tyrosine-protein kinase JAK1

CCS(=O)(=O)N[C@H]1C[C@H](C1)N(C)c1ncnc2[nH]ccc12 |r,wD:8.10,6.5,(13.65,-10.72,;12.32,-9.95,;10.98,-10.72,;11.74,-12.05,;10.21,-12.04,;9.65,-9.96,;8.32,-10.73,;6.83,-10.34,;6.44,-11.83,;7.93,-12.22,;5.11,-12.61,;3.77,-11.84,;5.11,-14.15,;3.78,-14.92,;3.78,-16.46,;5.12,-17.23,;6.46,-16.45,;7.93,-16.92,;8.83,-15.67,;7.91,-14.42,;6.45,-14.91,)|

BDBM159749

CC(C)CS(=O)(=O)N[C@H]1C[C@H](C1)N(C)c1ncnc2[nH]ccc12 |r,wD:10.12,8.7,(5.44,2.67,;3.95,2.27,;3.55,.79,;2.86,3.36,;1.37,2.96,;1.37,4.5,;-.11,3.36,;.97,1.48,;-.51,1.08,;-1.85,1.85,;-2.62,.51,;-1.28,-.26,;-4.1,.12,;-5.19,1.2,;-4.1,-1.42,;-5.44,-2.19,;-5.44,-3.73,;-4.1,-4.5,;-2.77,-3.73,;-1.31,-4.21,;-.4,-2.96,;-1.31,-1.72,;-2.77,-2.19,)|

BDBM50243852

CN([C@@H]1C[C@@H](C1)NS(=O)(=O)c1ccc(F)cc1)c1ncnc2[nH]ccc12 |r,wD:2.1,4.6,(6.1,-10.71,;7.44,-11.48,;8.77,-10.7,;9.16,-9.21,;10.65,-9.6,;10.25,-11.09,;11.98,-8.83,;13.3,-9.59,;14.06,-10.92,;12.53,-10.91,;14.64,-8.82,;15.97,-9.6,;17.31,-8.83,;17.31,-7.29,;18.64,-6.52,;15.97,-6.52,;14.64,-7.29,;7.44,-13.01,;6.12,-13.78,;6.11,-15.33,;7.45,-16.1,;8.79,-15.32,;10.25,-15.78,;11.15,-14.53,;10.24,-13.29,;8.78,-13.78,)|

BDBM50243855

CN([C@@H]1C[C@@H](C1)NS(=O)(=O)Cc1ccccc1)c1ncnc2[nH]ccc12 |r,wD:2.1,4.6,(6.11,-10.73,;7.45,-11.49,;8.78,-10.72,;9.17,-9.22,;10.66,-9.62,;10.27,-11.11,;11.99,-8.84,;13.32,-9.61,;14.09,-10.94,;12.55,-10.93,;14.66,-8.84,;15.99,-9.61,;15.98,-11.15,;17.31,-11.92,;18.65,-11.15,;18.65,-9.6,;17.32,-8.84,;7.45,-13.03,;6.13,-13.81,;6.12,-15.35,;7.46,-16.12,;8.8,-15.34,;10.27,-15.81,;11.17,-14.56,;10.25,-13.31,;8.79,-13.8,)|

BDBM50243856

CCCNS(=O)(=O)N[C@H]1C[C@H](C1)N(C)c1ncnc2[nH]ccc12 |r,wD:10.12,8.7,(18.66,-9.61,;17.33,-8.84,;15.99,-9.61,;14.66,-8.84,;13.32,-9.61,;14.09,-10.94,;12.55,-10.93,;11.99,-8.84,;10.66,-9.62,;9.17,-9.22,;8.78,-10.72,;10.27,-11.11,;7.45,-11.49,;6.11,-10.73,;7.45,-13.03,;6.13,-13.81,;6.12,-15.35,;7.46,-16.12,;8.8,-15.34,;10.27,-15.81,;11.17,-14.56,;10.25,-13.31,;8.79,-13.8,)|

BDBM50243857

CCS(=O)(=O)C[C@H]1C[C@H](C1)N(C)c1ncnc2[nH]ccc12 |r,wD:8.10,6.5,(15.99,-9.61,;14.66,-8.84,;13.32,-9.61,;14.09,-10.94,;12.55,-10.93,;11.99,-8.84,;10.66,-9.62,;9.17,-9.22,;8.78,-10.72,;10.27,-11.11,;7.45,-11.49,;6.11,-10.73,;7.45,-13.03,;6.13,-13.81,;6.12,-15.35,;7.46,-16.12,;8.8,-15.34,;10.27,-15.81,;11.17,-14.56,;10.25,-13.31,;8.79,-13.8,)|

BDBM50243858

CCCS(=O)(=O)C[C@H]1C[C@H](C1)N(C)c1ncnc2[nH]ccc12 |r,wD:9.11,7.6,(17.33,-8.84,;15.99,-9.61,;14.66,-8.84,;13.32,-9.61,;14.09,-10.94,;12.55,-10.93,;11.99,-8.84,;10.66,-9.62,;9.17,-9.22,;8.78,-10.72,;10.27,-11.11,;7.45,-11.49,;6.11,-10.73,;7.45,-13.03,;6.13,-13.81,;6.12,-15.35,;7.46,-16.12,;8.8,-15.34,;10.27,-15.81,;11.17,-14.56,;10.25,-13.31,;8.79,-13.8,)|

BDBM50243847

CCCS(=O)(=O)N[C@H]1C[C@@H](C1)N(C)c1ncnc2[nH]ccc12 |r,wU:7.6,wD:9.11,(18.67,-11.52,;17.33,-12.28,;16,-11.51,;14.66,-12.28,;15.42,-13.61,;13.89,-13.61,;13.33,-11.52,;12,-12.29,;11.61,-13.78,;10.12,-13.4,;10.51,-11.9,;8.79,-14.17,;7.45,-13.4,;8.79,-15.71,;7.46,-16.48,;7.46,-18.02,;8.8,-18.8,;10.14,-18.02,;11.61,-18.48,;12.51,-17.23,;11.59,-15.99,;10.13,-16.47,)|

BDBM50243811

CCCCS(=O)(=O)N[C@H]1C[C@H](C1)N(C)c1ncnc2[nH]ccc12 |r,wD:10.12,8.7,(18.14,-11.53,;16.81,-10.76,;15.47,-11.53,;14.14,-10.76,;12.8,-11.53,;13.56,-12.86,;12.03,-12.85,;11.47,-10.77,;10.14,-11.54,;8.65,-11.14,;8.26,-12.64,;9.75,-13.03,;6.93,-13.42,;5.59,-12.65,;6.93,-14.96,;5.61,-15.73,;5.6,-17.27,;6.94,-18.04,;8.28,-17.26,;9.75,-17.73,;10.65,-16.48,;9.73,-15.23,;8.27,-15.72,)|

BDBM50243812

CN([C@@H]1C[C@@H](C1)NS(=O)(=O)C1CC1)c1ncnc2[nH]ccc12 |r,wD:2.1,4.6,(5.58,-12.63,;6.92,-13.39,;8.25,-12.62,;8.64,-11.13,;10.12,-11.52,;9.73,-13.01,;11.45,-10.75,;12.78,-11.51,;13.54,-12.83,;12.01,-12.83,;14.12,-10.74,;15.66,-10.74,;14.89,-9.4,;6.92,-14.93,;5.6,-15.7,;5.59,-17.24,;6.93,-18.01,;8.26,-17.23,;9.73,-17.7,;10.63,-16.45,;9.72,-15.21,;8.25,-15.69,)|

BDBM159762

CN([C@@H]1C[C@@H](C1)NS(=O)(=O)CC1CC1)c1ncnc2[nH]ccc12 |r,wD:2.1,4.6,(-5.71,1.77,;-4.38,1,;-3.05,1.77,;-2.65,3.25,;-1.16,2.85,;-1.56,1.37,;.17,3.62,;1.51,2.85,;.74,1.52,;2.6,1.77,;2.84,3.62,;4.17,2.85,;4.94,1.52,;5.71,2.85,;-4.38,-.54,;-5.71,-1.31,;-5.71,-2.85,;-4.38,-3.62,;-3.05,-2.85,;-1.58,-3.33,;-.68,-2.08,;-1.58,-.84,;-3.05,-1.31,)|

BDBM50243813

CN([C@@H]1C[C@@H](C1)NS(=O)(=O)CC1CCC1)c1ncnc2[nH]ccc12 |r,wD:2.1,4.6,(5.93,-12.31,;7.26,-13.07,;8.6,-12.3,;8.99,-10.8,;10.48,-11.2,;10.08,-12.69,;11.81,-10.42,;13.14,-11.19,;13.9,-12.52,;12.37,-12.51,;14.48,-10.42,;15.81,-11.19,;16.2,-12.67,;17.69,-12.28,;17.29,-10.79,;7.27,-14.61,;5.94,-15.39,;5.94,-16.93,;7.27,-17.7,;8.61,-16.92,;10.08,-17.39,;10.98,-16.14,;10.07,-14.89,;8.6,-15.38,)|

BDBM50243904

CN([C@@H]1C[C@@H](C1)NS(=O)(=O)CCC(F)(F)F)c1ncnc2[nH]ccc12 |r,wD:2.1,4.6,(7.09,-13.36,;8.42,-14.12,;9.75,-13.35,;10.15,-11.85,;11.64,-12.25,;11.24,-13.74,;12.97,-11.47,;14.3,-12.23,;15.06,-13.56,;13.52,-13.56,;15.63,-11.46,;16.97,-12.24,;18.3,-11.47,;19.63,-12.24,;18.3,-9.93,;19.63,-10.69,;8.43,-15.66,;7.1,-16.43,;7.1,-17.98,;8.43,-18.75,;9.77,-17.97,;11.24,-18.44,;12.14,-17.18,;11.23,-15.94,;9.76,-16.43,)|

BDBM50243838

COCCS(=O)(=O)N[C@H]1C[C@H](C1)N(C)c1ncnc2[nH]ccc12 |r,wD:10.12,8.7,(19.05,-9.69,;17.72,-8.92,;16.38,-9.69,;15.05,-8.91,;13.71,-9.68,;14.47,-11.01,;12.94,-11.01,;12.38,-8.92,;11.05,-9.7,;9.56,-9.3,;9.17,-10.8,;10.66,-11.18,;7.84,-11.57,;6.5,-10.81,;7.84,-13.11,;6.51,-13.88,;6.51,-15.43,;7.85,-16.2,;9.19,-15.42,;10.66,-15.89,;11.56,-14.63,;10.64,-13.39,;9.18,-13.88,)|

BDBM50243905

COCCCS(=O)(=O)N[C@H]1C[C@H](C1)N(C)c1ncnc2[nH]ccc12 |r,wD:11.13,9.8,(20.38,-8.92,;19.05,-9.69,;17.72,-8.92,;16.38,-9.69,;15.05,-8.91,;13.71,-9.68,;14.47,-11.01,;12.94,-11.01,;12.38,-8.92,;11.05,-9.7,;9.56,-9.3,;9.17,-10.8,;10.66,-11.18,;7.84,-11.57,;6.5,-10.81,;7.84,-13.11,;6.51,-13.88,;6.51,-15.43,;7.85,-16.2,;9.19,-15.42,;10.66,-15.89,;11.56,-14.63,;10.64,-13.39,;9.18,-13.88,)|

BDBM159753

CN([C@@H]1C[C@@H](C1)NS(=O)(=O)CC1COC1)c1ncnc2[nH]ccc12 |r,wD:2.1,4.6,(-5.89,1.77,;-4.55,1,;-3.22,1.77,;-2.82,3.25,;-1.33,2.85,;-1.73,1.37,;,3.62,;1.33,2.85,;.24,1.77,;2.42,1.77,;2.67,3.62,;4,2.85,;4.4,1.37,;5.89,1.77,;5.49,3.25,;-4.55,-.54,;-5.89,-1.31,;-5.89,-2.85,;-4.55,-3.62,;-3.22,-2.85,;-1.76,-3.33,;-.85,-2.08,;-1.76,-.84,;-3.22,-1.31,)|

BDBM50243840

CCN(C)S(=O)(=O)N[C@H]1C[C@H](C1)N(C)c1ncnc2[nH]ccc12 |r,wD:10.12,8.7,(14.58,-6.2,;13.25,-6.97,;13.25,-8.51,;14.58,-9.28,;11.91,-9.28,;12.67,-10.61,;11.14,-10.6,;10.58,-8.52,;9.25,-9.29,;7.76,-8.9,;7.37,-10.39,;8.85,-10.78,;6.03,-11.17,;4.7,-10.4,;6.04,-12.71,;4.71,-13.48,;4.71,-15.02,;6.04,-15.79,;7.38,-15.01,;8.85,-15.48,;9.75,-14.23,;8.84,-12.99,;7.37,-13.47,)|

BDBM50243906

CN([C@@H]1C[C@@H](C1)NS(=O)(=O)N(C)C1CC1)c1ncnc2[nH]ccc12 |r,wD:2.1,4.6,(5.8,-11.92,;7.14,-12.68,;8.47,-11.91,;8.86,-10.41,;10.35,-10.81,;9.96,-12.3,;11.68,-10.03,;13.01,-10.8,;13.77,-12.13,;12.24,-12.12,;14.35,-10.03,;15.68,-10.8,;14.35,-8.49,;15.13,-7.16,;13.59,-7.16,;7.14,-14.22,;5.81,-15,;5.81,-16.54,;7.15,-17.31,;8.49,-16.53,;9.96,-17,;10.86,-15.75,;9.94,-14.5,;8.48,-14.99,)|

BDBM159771

CN(CCC#N)S(=O)(=O)N[C@H]1C[C@H](C1)N(C)c1ncnc2[nH]ccc12 |r,wD:12.14,10.9,(1.61,4.39,;1.61,2.85,;2.94,2.08,;4.28,2.85,;5.61,2.08,;6.94,1.31,;.28,2.08,;-.49,.75,;1.05,.75,;-1.06,2.85,;-2.39,2.08,;-3.88,2.48,;-4.28,1,;-2.79,.6,;-5.61,.23,;-6.94,1,;-5.61,-1.31,;-6.94,-2.08,;-6.94,-3.62,;-5.61,-4.39,;-4.28,-3.62,;-2.81,-4.1,;-1.91,-2.85,;-2.81,-1.61,;-4.28,-2.08,)|

BDBM50243842

CCCCN(C)S(=O)(=O)C[C@H]1C[C@H](C1)N(C)c1ncnc2[nH]ccc12 |r,wD:12.14,10.9,(20.04,-11.87,;18.7,-12.63,;17.37,-11.86,;16.03,-12.62,;14.69,-11.84,;14.7,-10.3,;13.35,-12.61,;14.12,-13.94,;12.58,-13.93,;12.02,-11.85,;10.69,-12.62,;9.2,-12.23,;8.81,-13.72,;10.3,-14.11,;7.48,-14.5,;6.15,-13.73,;7.49,-16.04,;6.16,-16.81,;6.15,-18.35,;7.49,-19.12,;8.83,-18.34,;10.3,-18.81,;11.2,-17.56,;10.29,-16.31,;8.82,-16.8,)|

BDBM50243810

CN(CC1CC1)S(=O)(=O)C[C@H]1C[C@H](C1)N(C)c1ncnc2[nH]ccc12 |r,wD:12.15,10.10,(14.93,-10.76,;14.93,-12.3,;16.27,-13.08,;17.6,-12.32,;19.14,-12.32,;18.38,-10.98,;13.59,-13.07,;14.35,-14.4,;12.82,-14.39,;12.26,-12.31,;10.93,-13.08,;9.44,-12.69,;9.05,-14.18,;10.53,-14.57,;7.72,-14.96,;6.38,-14.19,;7.72,-16.5,;6.39,-17.27,;6.39,-18.81,;7.72,-19.58,;9.06,-18.8,;10.53,-19.27,;11.43,-18.02,;10.52,-16.78,;9.06,-17.26,)|

BDBM50243869

CN([C@@H]1C[C@@H](C1)NS(=O)(=O)c1ccccc1)c1ncnc2[nH]ccc12 |r,wD:2.1,4.6,(4.65,-10.97,;5.99,-11.74,;7.32,-10.96,;7.71,-9.46,;9.2,-9.86,;8.81,-11.35,;10.53,-9.08,;11.86,-9.85,;12.62,-11.18,;11.09,-11.17,;13.2,-9.08,;14.53,-9.85,;15.86,-9.08,;15.86,-7.53,;14.51,-6.77,;13.19,-7.55,;5.99,-13.28,;4.66,-14.05,;4.66,-15.59,;6,-16.36,;7.34,-15.58,;8.81,-16.05,;9.71,-14.8,;8.79,-13.55,;7.33,-14.04,)|

BDBM159747

CN([C@@H]1C[C@@H](C1)NS(=O)(=O)CC(F)(F)F)c1ncnc2[nH]ccc12 |r,wD:2.1,4.6,(-5.61,1.48,;-4.28,.71,;-2.94,1.48,;-2.55,2.97,;-1.06,2.57,;-1.46,1.09,;.28,3.34,;1.61,2.57,;.84,1.24,;2.38,1.24,;2.94,3.34,;4.28,2.57,;5.61,1.8,;5.05,3.91,;3.51,1.24,;-4.28,-.83,;-5.61,-1.6,;-5.61,-3.14,;-4.28,-3.91,;-2.94,-3.14,;-1.48,-3.61,;-.57,-2.37,;-1.48,-1.12,;-2.94,-1.6,)|

BDBM159764

CN([C@@H]1C[C@@H](C1)NS(=O)(=O)NCC1CC1)c1ncnc2[nH]ccc12 |r,wD:2.1,4.6,(-6.38,1.1,;-5.05,.33,;-3.71,1.1,;-3.32,2.59,;-1.83,2.19,;-2.23,.7,;-.49,2.96,;.84,2.19,;.07,.85,;1.61,.85,;2.17,2.96,;3.51,2.19,;4.84,2.96,;6.38,2.96,;5.61,4.29,;-5.05,-1.21,;-6.38,-1.98,;-6.38,-3.52,;-5.05,-4.29,;-3.71,-3.52,;-2.25,-4,;-1.34,-2.75,;-2.25,-1.51,;-3.71,-1.98,)|

BDBM159779

CCCCS(=O)(=O)C[C@H]1C[C@H](C1)N(C)c1ncnc2[nH]ccc12 |r,wD:10.12,8.7,(5.98,3.24,;4.65,4.01,;3.32,3.24,;1.98,4.01,;.65,3.24,;-.12,1.91,;1.74,2.15,;-.69,4.01,;-1.78,2.92,;-3.32,2.92,;-3.32,1.38,;-1.78,1.38,;-4.65,.61,;-5.98,1.38,;-4.65,-.93,;-5.98,-1.7,;-5.98,-3.24,;-4.65,-4.01,;-3.32,-3.24,;-1.85,-3.72,;-.95,-2.47,;-1.85,-1.22,;-3.32,-1.7,)|

BDBM50243837

CN([C@@H]1C[C@@H](C1)NS(=O)(=O)CCCC(F)(F)F)c1ncnc2[nH]ccc12 |r,wD:2.1,4.6,(6.04,-12.03,;7.37,-12.79,;8.7,-12.02,;9.1,-10.52,;10.58,-10.92,;10.19,-12.41,;11.92,-10.14,;13.24,-10.9,;14.01,-12.23,;12.47,-12.23,;14.58,-10.13,;15.92,-10.91,;17.25,-10.14,;18.58,-10.91,;19.92,-10.14,;18.58,-12.45,;19.91,-11.68,;7.38,-14.33,;6.05,-15.1,;6.05,-16.65,;7.38,-17.42,;8.72,-16.64,;10.19,-17.11,;11.09,-15.85,;10.18,-14.61,;8.71,-15.1,)|

BDBM50243839

CN([C@@H]1C[C@@H](C1)NS(=O)(=O)CCCC#N)c1ncnc2[nH]ccc12 |r,wD:2.1,4.6,(6.15,-11.79,;7.49,-12.56,;8.82,-11.79,;9.21,-10.29,;10.7,-10.68,;10.31,-12.17,;12.03,-9.91,;13.36,-10.67,;14.12,-12,;12.59,-12,;14.7,-9.9,;16.03,-10.67,;17.37,-9.91,;18.7,-10.68,;20.03,-11.45,;7.49,-14.1,;6.17,-14.87,;6.16,-16.42,;7.5,-17.19,;8.84,-16.41,;10.31,-16.87,;11.21,-15.62,;10.29,-14.38,;8.83,-14.86,)|

BDBM50243841

CN([C@@H]1C[C@@H](C1)NS(=O)(=O)N1CCCCC1)c1ncnc2[nH]ccc12 |r,wD:2.1,4.6,(6.14,-13.71,;7.47,-14.47,;8.8,-13.7,;9.19,-12.21,;10.68,-12.6,;10.28,-14.09,;12.01,-11.83,;13.33,-12.59,;14.09,-13.91,;12.56,-13.91,;14.67,-11.82,;16.01,-12.6,;17.34,-11.84,;17.35,-10.3,;16.02,-9.52,;14.67,-10.28,;7.47,-16.01,;6.15,-16.78,;6.15,-18.32,;7.48,-19.09,;8.82,-18.31,;10.28,-18.78,;11.18,-17.53,;10.27,-16.29,;8.81,-16.77,)|

BDBM50243843

CN([C@@H]1C[C@H](CS(=O)(=O)N2CCCC2)C1)c1ncnc2[nH]ccc12 |r,wD:2.1,4.4,(7.12,-14.17,;8.45,-14.94,;9.78,-14.17,;10.18,-12.67,;11.66,-13.06,;12.99,-12.29,;14.32,-13.05,;15.08,-14.38,;13.55,-14.37,;15.65,-12.28,;17.06,-12.91,;18.09,-11.77,;17.32,-10.43,;15.82,-10.75,;11.27,-14.55,;8.46,-16.48,;7.13,-17.24,;7.13,-18.79,;8.46,-19.56,;9.8,-18.78,;11.27,-19.24,;12.17,-17.99,;11.25,-16.75,;9.79,-17.24,)|

BDBM50261794

NC(=O)c1cnc(Nc2ccccc2)cc1NCc1cccc(NC(=O)C=C)c1

BDBM50466679

COCCc1c[nH]c2ncnc(-c3cccc(NC(=O)C=C)c3)c12

BDBM50466662

COCCc1c[nH]c2ncnc(-c3ccc4OC(F)(F)CN(C#N)c4c3)c12

BDBM50466665

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

BDBM50466667

O=S(=O)(N[C@@H]1C[C@H](NC#N)c2cc(ccc12)-c1ncnc2[nH]ccc12)c1cccc(c1)C#N |r|

BDBM50466680

COc1ccc(cc1)S(=O)(=O)N[C@@H]1C[C@H](NC#N)c2cc(ccc12)-c1ncnc2[nH]ccc12 |r|

BDBM50466663

N#CN[C@H]1CCc2ccc(cc12)-c1ncnc2[nH]cc(-c3ccccc3)c12 |r|

BDBM50466664

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

BDBM50466658

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

BDBM50466660

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

BDBM50466671

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

BDBM50519521

CNC(=O)c1cnc(Nc2ccc(F)cn2)cc1Nc1cccc(C(N)=O)c1OC

BDBM50519522

CNC(=O)c1cnc(Nc2cc(C)c(F)cn2)cc1Nc1cccc(C(=O)NCCN2CCOCC2)c1OC

BDBM50519518

CNC(=O)c1cnc(Nc2cc(C)c(F)cn2)cc1Nc1cccc(-c2ncn(C)n2)c1OC

BDBM50519524

CNC(=O)c1cnc(Nc2ccc(F)cn2)cc1Nc1cccc(C#N)c1OC

BDBM50519525

CNC(=O)c1cnc(Nc2ccc(F)cn2)cc1Nc1cccc(C(O)=O)c1OC

BDBM50519526

CNC(=O)c1cccc(Nc2cc(Nc3ccc(F)cn3)ncc2C(=O)NC)c1OC

BDBM50519527

CNC(=O)c1ccc(Nc2cc(Nc3ccc(F)cn3)ncc2C(=O)NC)c(OC)c1

BDBM50519528

CNC(=O)c1cnc(Nc2cc(C)c(F)cn2)cc1Nc1cccc(C(N)=O)c1OC

BDBM50519529

CCNC(=O)c1cccc(Nc2cc(Nc3cc(C)c(F)cn3)ncc2C(=O)NC)c1OC

BDBM50519530

CNC(=O)c1cnc(Nc2cc(C)c(F)cn2)cc1Nc1cccc(C(=O)N(C)C)c1OC

BDBM50519531

Cc1cc(ncc1F)Nc2cc(c(cn2)C(=O)NC)Nc3cccc(c3OC)C(=O)NCc4ccccn4

BDBM50519532

CNC(=O)c1cnc(Nc2cc(C)c(F)cn2)cc1Nc1cccc(-c2nnc(C)o2)c1OC

BDBM50519519

CNC(=O)c1cnc(Nc2cc(C)c(F)cn2)cc1Nc1cccc(-c2ccn(C)n2)c1OC

BDBM50519533

CNC(=O)c1cnc(Nc2cc(C)c(F)cn2)cc1Nc1cccc(-c2ccnn2C)c1OC

BDBM50519534

CNC(=O)c1cnc(Nc2cc(C)c(F)cn2)cc1Nc1cccc(-c2nncn2C)c1OC

BDBM50519535

CNC(=O)c1cnc(Nc2cc(C)c(F)cn2)cc1Nc1cccc(-c2ncnn2C)c1OC

BDBM50519536

CNC(=O)c1cnc(Nc2ccc(cn2)C(F)(F)F)cc1Nc1cccc(-c2ncn(C)n2)c1OC

BDBM50519520

[2H]C([2H])([2H])NC(=O)c1cnc(NC(=O)C2CC2)cc1Nc1cccc(-c2ncn(C)n2)c1OC

BDBM50519544

CNC(=O)c1cccc(Nc2cc(Nc3ccc(F)cn3)ncc2C(=O)NC)c1

BDBM50519542

CNC(=O)c1cnc(Nc2cc(C)c(F)cn2)cc1Nc1cccc(-c2nc[nH]n2)c1OC

BDBM50507816

[2H]C([2H])([2H])NC(=O)c1nnc(NC(=O)C2CC2)cc1Nc1cccc(-c2ncn(C)n2)c1OC

BDBM50519538

CNC(=O)c1cnc(Nc2cc(C)nc(C)n2)cc1Nc1cccc(-c2ncn(C)n2)c1OC

BDBM50519547

CNC(=O)c1cnc(Nc2ccc(F)cn2)cc1Nc1ccc(cc1OC)C(N)=O

BDBM50519540

CNC(=O)c1cnc(Nc2cc(C)c(F)cn2)cc1Nc1cccc(C(=O)NC)c1OC

BDBM50519548

CNC(=O)c1cnc(Nc2cc(C)c(F)cn2)cc1Nc1cccc(-c2nnco2)c1OC

BDBM50519543

CNC(=O)c1cnc(Nc2cc(C)c(F)cn2)cc1Nc1cccc(-c2n[nH]c(C)n2)c1OC

BDBM50519537

CNC(=O)c1cnc(Nc2ccc(cn2)C#N)cc1Nc1cccc(-c2ncn(C)n2)c1OC

BDBM50519539

CNC(=O)c1cnc(NC(=O)C2CC2)cc1Nc1cccc(-c2ncn(C)n2)c1OC

BDBM50519545

CNC(=O)c1cnc(Nc2cc(C)c(F)cn2)cc1Nc1cccc(C(=O)NCCO)c1OC

BDBM50519541

CNC(=O)c1cnc(Nc2cc(C)c(F)cn2)cc1Nc1cccc(C(=O)NCC2CC2)c1OC

BDBM387818

CC(C)(O)CNC(=O)Cc1nc2cnc3[nH]ccc3c2n1[C@H]1CC[C@H](CC#N)CC1 |r,wU:24.27,wD:21.23,(-4.33,5.71,;-5.1,4.37,;-6.64,4.37,;-5.87,5.71,;-4.33,3.04,;-5.1,1.71,;-4.33,.37,;-5.1,-.96,;-2.79,.37,;-2.02,-.96,;-2.65,-2.37,;-1.5,-3.4,;-1.5,-4.94,;-.17,-5.71,;1.16,-4.94,;2.63,-5.41,;3.53,-4.17,;2.63,-2.92,;1.16,-3.4,;-.17,-2.63,;-.49,-1.12,;.54,.02,;2.05,-.3,;3.08,.85,;2.6,2.31,;3.63,3.46,;5.14,3.14,;6.64,2.82,;1.09,2.63,;.06,1.49,)|

BDBM387824

CC(C)(CNC(=O)Cc1nc2cnc3[nH]ccc3c2n1[C@H]1CC[C@H](CC#N)CC1)C#N |r,wU:23.26,wD:20.22,(-5.09,-2.66,;-5.49,-1.17,;-4,-1.57,;-4.72,.17,;-3.18,.17,;-2.41,1.5,;-3.18,2.83,;-.87,1.5,;-.1,.17,;-.72,-1.24,;.42,-2.27,;.42,-3.81,;1.75,-4.58,;3.09,-3.81,;4.55,-4.29,;5.46,-3.04,;4.55,-1.8,;3.09,-2.27,;1.75,-1.5,;1.43,0,;2.46,1.15,;3.97,.83,;5,1.97,;4.52,3.44,;5.56,4.58,;7.06,4.26,;8.57,3.94,;3.02,3.76,;1.99,2.61,;-7.03,-1.17,;-8.57,-1.17,)|

BDBM387821

O=C(Cc1nc2cnc3[nH]ccc3c2n1[C@H]1CC[C@H](CC#N)CC1)NCCC#N |r,wU:18.21,wD:15.17,(-3.18,.17,;-2.41,1.5,;-.87,1.5,;-.1,.17,;-.72,-1.24,;.42,-2.27,;.42,-3.81,;1.75,-4.58,;3.09,-3.81,;4.55,-4.29,;5.46,-3.04,;4.55,-1.8,;3.09,-2.27,;1.75,-1.5,;1.43,0,;2.46,1.15,;3.97,.83,;5,1.97,;4.52,3.44,;5.56,4.58,;7.06,4.26,;8.57,3.94,;3.02,3.76,;1.99,2.61,;-3.18,2.83,;-4.72,2.83,;-5.49,4.17,;-7.03,4.17,;-8.57,4.17,)|

BDBM329924

Cn1cc(cn1)Nc2nccc(n2)N3C[C@H]4CC[C@@H](C3)N4C(=O)[C@@H]5CC5(F)F

BDBM50529611

[H][C@]12CC[C@]([H])(CN(C1)c1nc(Nc3cnn(CCO)c3)ncc1F)N2C(=O)C1CC1 |r|

BDBM50529609

[H][C@]12CC[C@]([H])(CN(C1)c1nc(Nc3cnn(C)c3)ncc1F)N2C(=O)C1CC1 |r|

BDBM330002

Cn1cc(Nc2nccc(n2)N2C[C@@H]3CC[C@H](C2)N3C(=O)NCC#N)cn1 |r,THB:19:18:11.12.17:15.14|

BDBM330003

CCNC(=O)N1[C@H]2CC[C@@H]1CN(C2)c1ccnc(Nc2cnn(C)c2)n1 |r,THB:3:5:11.12.10:8.7|

BDBM329953

Cn1cc(Nc2nccc(n2)N2C[C@@H]3CC[C@H](C2)N3C(=O)C2CC2)cn1 |r,THB:19:18:11.12.17:15.14|

BDBM329925

Cn1cc(Nc2nccc(n2)N2C[C@@H]3CC[C@H](C2)N3C(=O)[C@H]2CC2(F)F)cn1 |r,THB:19:18:11.12.17:15.14|

BDBM50529618

[H][C@]12CC[C@]([H])(CN(C1)c1ccnc(Nc3cnn(C)c3)n1)N2C(=O)NCC(F)(F)F |r|

BDBM50529615

[H][C@]12CC[C@]([H])(CN(C1)c1nc(Nc3cnc(C(=O)NCC)c(C)c3)ncc1F)N2C(=O)C1CC1 |r|

BDBM50530384

CNC(=O)c1cnc(Nc2ccc(F)cn2)cc1Nc1ccccc1

BDBM50530385

CNC(=O)c1cnc(Nc2ccc(cn2)N2CCOCC2)cc1Nc1ccccc1S(C)(=O)=O

BDBM50530390

CNC(=O)c1cnc(Nc2ncccn2)cc1Nc1ccccc1C(N)=O

BDBM50530386

CNC(=O)c1cnc(cc1Nc2ccccc2C(=O)N)Nc3ccc(cn3)F

BDBM50530397

CCNC(=O)c1cnc(Nc2ccc(F)cn2)cc1Nc1ccccc1C(N)=O

BDBM50530378

NC(=O)c1ccccc1Nc1cc(Nc2ccc(F)cn2)ncc1C(=O)NC1CC1

BDBM50530382

CNC(=O)c1cnc(Nc2ccccc2)cc1Nc1ccccc1C(N)=O

BDBM50530393

CNC(=O)c1cnc(Nc2ccccn2)cc1Nc1ccccc1C(N)=O

BDBM50530398

CNC(=O)c1cnc(cc1Nc2ccccc2S(=O)(=O)C)Nc3ccc(cn3)F

BDBM50530379

CCS(=O)(=O)c1ccccc1Nc1cc(Nc2ccc(F)cn2)ncc1C(=O)NC

BDBM50530391

[2H]C([2H])([2H])NC(=O)c1cnc(Nc2ccc(F)cn2)cc1Nc1ccccc1S(C)(=O)=O

BDBM50530400

CNC(=O)c1cnc(Nc2cc(C)ccn2)cc1Nc1ccccc1S(C)(=O)=O

BDBM50530388

CNC(=O)c1cnc(Nc2ccc(C)nn2)cc1Nc1ccccc1S(C)(=O)=O

BDBM50530401

CNC(=O)c1cnc(Nc2ccc(OC)cn2)cc1Nc1ccccc1S(C)(=O)=O

BDBM50530380

CCCC(=O)Nc1cc(Nc2ccccc2S(C)(=O)=O)c(cn1)C(=O)NC

BDBM50530395

[2H]C([2H])([2H])NC(=O)c1nnc(NC(=O)C2CC2)cc1Nc1ccccc1S(C)(=O)=O

BDBM50530405

CNC(=O)c1cnc(Nc2ncccc2F)cc1Nc1ccccc1C(N)=O

BDBM50530389

CNC(=O)c1cnc(cc1Nc2ccccc2S(=O)(=O)C)NC(=O)C3CC3

BDBM50530392

CNC(=O)c1cnc(Nc2ccc(F)cn2)cc1Nc1ccccc1SC

BDBM50530394

NC(=O)c1ccccc1Nc1cc(Nc2ccc(F)cn2)ncc1C(N)=O

BDBM50530381

CN(C)C(=O)c1cnc(Nc2ccc(F)cn2)cc1Nc1ccccc1C(N)=O

BDBM50530399

CNC(=O)c1cnc(Nc2ccc(F)cn2)cc1Nc1ccc(F)c(F)c1OC

BDBM50530383

CS(=O)(=O)c1ccccc1Nc1cc(Nc2ccc(F)cn2)ncc1C(N)=O

BDBM50519523

[2H]C([2H])([2H])NC(=O)c1nnc(Nc2ccccn2)cc1Nc1ccccc1S(C)(=O)=O

BDBM50530402

CNC(=O)c1cnc(Nc2ccc(F)cn2)cc1Nc1ccccc1OC

BDBM50530396

CNC(=O)c1cnc(Nc2ccccn2)cc1Nc1ccccc1S(C)(=O)=O

BDBM50530387

CNC(=O)c1cnc(NC(=O)C(C)C)cc1Nc1ccccc1S(C)(=O)=O

BDBM50542399

c1c(cn(n1)CCO)Nc2ncc(c(n2)N3C[C@H]4C[C@]4(C3)NC(=O)C5CC5)F

BDBM50542401

[H][C@@]12CN(C[C@]1(NC(=O)C1CC1)[C@@H]2C)c1nc(Nc2cnn(CCO)c2)ncc1F |r|

BDBM50542402

c1c(cn(n1)CCO)Nc2ncc(c(n2)N3C[C@H]4C[C@]4(C3)NC(=O)[C@@H]5C[C@H]5C#N)F

BDBM50542403

c1c(cn(n1)CCO)Nc2ncc(c(n2)N3C[C@H]4C[C@]4(C3)NC(=O)[C@H]5C[C@@H]5C#N)F

BDBM50542404

[H][C@@]12CN(C[C@]1(NC(=O)[C@@H]1C[C@H]1C#N)[C@@H]2C)c1nc(Nc2cnn(CCO)c2)ncc1F |r|

BDBM50542405

[H][C@@]12CN(C[C@]1(NC(=O)[C@H]1C[C@@H]1C#N)[C@@H]2C)c1nc(Nc2cnn(CCO)c2)ncc1F |r|

BDBM419652

C[C@@H]1[C@@H]2CN(C[C@]12NC(=O)[C@@H]1C[C@H]1C#N)c1nc(Nc2cnn(C)c2)ncc1F |r|

BDBM50542406

[H][C@@]12CN(C[C@]1(NC(=O)[C@H]1C[C@@H]1C#N)[C@@H]2C)c1nc(Nc2cnn(C)c2)ncc1F |r|

BDBM330010

C[C@@H]1[C@H]2[C@@]1(CN(C2)c3c(cnc(n3)Nc4cnn(c4)C)F)NC(=O)[C@@H]5CC5(F)F

BDBM330011

C[C@@H]1[C@@H]2CN(C[C@]12NC(=O)[C@H]1CC1(F)F)c1nc(Nc2cnn(C)c2)ncc1F |r|

BDBM50545650

C[C@H]1CN([C@]12CCN(C2)c3c4cc[nH]c4ncn3)C(=O)CC#N

BDBM305821

Cn1cc(cn1)-c1cn2nccc2c(n1)-c1cnn(c1)[C@@]1(CC#N)C[C@@H](C1)C#N |r,wU:20.23,wD:25.31,(5.9,-6.34,;4.36,-6.34,;3.46,-5.09,;2,-5.57,;2,-7.11,;3.46,-7.59,;.66,-4.8,;-.67,-5.57,;-2.01,-4.8,;-3.47,-5.28,;-4.38,-4.03,;-3.47,-2.78,;-2.01,-3.26,;-.67,-2.49,;.66,-3.26,;-.67,-.95,;.57,-.05,;.1,1.42,;-1.44,1.42,;-1.92,-.05,;-2.53,2.51,;-2.93,1.02,;-4.42,.62,;-5.9,.22,;-3.86,3.28,;-3.09,4.61,;-1.76,3.84,;-3.49,6.1,;-3.89,7.59,)|

BDBM50572395

Fc1cnc(Nc2ccc3n(ccc3c2)S(=O)(=O)C(F)(F)F)nc1-c1cnn(CCC#N)c1

BDBM50583442

Cc1cnc(Nc2cnn(c2)C(F)F)nc1N1CCC2(CCNC2=O)CC1

BDBM50593320

COc1cc(Nc2ncc(C)c(Nc3ccc4oc(=O)[nH]c4c3)n2)cc(C)c1F

BDBM103727

O=C(Nc1nc2cccc(-c3ccc(CN4CCS(=O)(=O)CC4)cc3)n2n1)C1CC1

BDBM50602437

FC1(F)C[C@H]1C(=O)N1CC2(C1)CCC(CC2)c1cccc2nc(NC(=O)C3CC3)nn12 |r|