SMILES for Beta-secretase 1 [1-460]

169 SMILES Strings for Beta-secretase 1 [1-460]

Compound Name

SMILES String

BDBM224808

CC(C)(O)c4nc(N3C[C@H]1CSC(N)=N[C@@]1(c2cnccn2)C3)ncc4F

BDBM224809

CC(C)(O)c1nc(ncc1F)N1C[C@H]2CSC(N)=N[C@]2(C1)c1ccc(F)cn1 |r,c:18|

BDBM224810

CC(C)(O)c1nc(ncc1F)N1C[C@H]2CSC(N)=N[C@]2(C1)c1cccnc1 |r,c:18|

BDBM50005022

CO[C@H]1CC[C@@]2(Cc3ccc(cc3C22C=C(F)C(N)=N2)-c2cncnc2)CC1 |r,wD:5.5,2.1,c:20,t:16,(18.99,-9.87,;18.23,-8.53,;16.69,-8.52,;15.92,-7.19,;14.39,-7.18,;13.63,-8.51,;12.73,-9.78,;11.24,-9.3,;9.91,-10.07,;8.57,-9.3,;8.58,-7.75,;9.9,-6.98,;11.24,-7.75,;12.72,-7.26,;14.2,-6.86,;14.27,-5.32,;15.56,-4.47,;12.83,-4.77,;12.42,-3.29,;11.87,-5.98,;7.25,-6.98,;7.25,-5.44,;5.92,-4.67,;4.58,-5.44,;4.59,-6.99,;5.92,-7.75,;14.39,-9.84,;15.91,-9.84,)|

BDBM307699

CO[C@H]1CC[C@]2(Cc3ccc(cc3C22C=C(F)C(N)=N2)-c2cncnc2)CC1 |r,wU:2.1,wD:5.5,c:20,t:16,(7.21,-3.1,;6.44,-1.77,;4.9,-1.77,;4.13,-3.1,;2.59,-3.1,;1.82,-1.77,;.92,-3.01,;-.55,-2.54,;-1.88,-3.31,;-3.21,-2.54,;-3.21,-1,;-1.88,-.23,;-.55,-1,;.92,-.52,;2.38,-.04,;2.38,1.5,;3.72,2.27,;.92,1.97,;.15,3.31,;.01,.73,;-4.55,-.23,;-4.55,1.31,;-5.88,2.08,;-7.21,1.31,;-7.21,-.23,;-5.88,-1,;2.59,-.43,;4.13,-.43,)|

BDBM50005021

CO[C@H]1CC[C@@]2(Cc3ccc(cc3C22C=C(F)C(N)=N2)-c2cncc(c2)C#CC)CC1 |r,wD:5.5,2.1,c:20,t:16,(38.35,-13.03,;37.58,-11.69,;36.04,-11.69,;35.28,-10.36,;33.75,-10.35,;32.98,-11.67,;32.08,-12.94,;30.6,-12.47,;29.26,-13.23,;27.93,-12.46,;27.93,-10.92,;29.26,-10.15,;30.6,-10.91,;32.07,-10.43,;33.56,-10.02,;33.63,-8.48,;34.92,-7.64,;32.19,-7.94,;31.78,-6.46,;31.23,-9.14,;26.6,-10.15,;25.28,-10.92,;23.94,-10.16,;23.94,-8.61,;25.27,-7.84,;26.61,-8.61,;25.27,-6.3,;25.26,-4.75,;25.25,-3.21,;33.74,-13,;35.27,-13.01,)|

BDBM50005019

CO[C@H]1CC[C@]2(Cc3ccc(cc3C22C=C(F)C(N)=N2)-c2cncc(c2)C#CC)CC1 |r,wU:2.1,wD:5.5,c:20,t:16,(17.12,-21.2,;16.36,-19.87,;14.82,-19.86,;14.05,-21.18,;12.52,-21.18,;11.76,-19.85,;10.86,-21.11,;9.38,-20.64,;8.04,-21.41,;6.71,-20.64,;6.71,-19.09,;8.04,-18.32,;9.37,-19.09,;10.85,-18.6,;12.33,-18.2,;12.41,-16.66,;13.69,-15.81,;10.96,-16.11,;10.56,-14.63,;10,-17.32,;5.38,-18.32,;4.05,-19.09,;2.72,-18.33,;2.71,-16.78,;4.05,-16.01,;5.38,-16.78,;4.05,-14.47,;4.04,-12.93,;4.02,-11.39,;12.52,-18.52,;14.06,-18.53,)|

BDBM307702

CO[C@H]1CC[C@]2(CC1)Oc1ccc(cc1C21C=C(F)C(N)=N1)-c1cc(F)cc(c1)C#N |r,wD:5.8,2.1,c:23,t:19,(7.88,-4.03,;7.11,-2.69,;5.57,-2.69,;4.8,-1.36,;3.26,-1.36,;2.49,-2.69,;3.26,-4.03,;4.8,-4.03,;1.59,-3.94,;.12,-3.47,;-1.21,-4.23,;-2.55,-3.47,;-2.55,-1.93,;-1.21,-1.15,;.12,-1.93,;1.59,-1.45,;3.05,-.97,;3.05,.57,;4.38,1.34,;1.59,1.04,;.82,2.38,;.68,-.2,;-3.88,-1.15,;-5.21,-1.93,;-6.55,-1.15,;-7.88,-1.93,;-6.55,.38,;-5.21,1.15,;-3.88,.38,;-5.21,2.69,;-5.21,4.23,)|

BDBM307703

CC1(C)COc2ccc(cc2C11C=C(F)C(N)=N1)-c1cncnc1 |c:18,t:14|

BDBM307704

CC1(C)COc2ccc(cc2C11C=C(F)C(N)=N1)-c1cncc(F)c1 |c:18,t:14|

BDBM307705

CC1(C)COc2ccc(cc2C11C=C(F)C(N)=N1)-c1cc(F)cc(F)c1 |c:18,t:14|

BDBM50005020

CC1(C)Cc2ccc(cc2C11C=C(F)C(N)=N1)-c1cncnc1 |c:17,t:13|

BDBM307707

COC1CC[C@]2(Cc3ccc(OCCCF)cc3C22C=C(F)C(N)=N2)CC1 |r,wD:5.5,c:25,t:21,(7.88,-2.47,;7.11,-1.14,;5.57,-1.14,;4.8,-2.47,;3.26,-2.47,;2.49,-1.14,;1.59,-2.39,;.12,-1.91,;-1.21,-2.68,;-2.55,-1.91,;-2.55,-.37,;-3.88,.4,;-5.21,-.37,;-6.55,.4,;-7.88,-.37,;-9.21,.4,;-1.21,.4,;.12,-.37,;1.59,.1,;2.83,1.01,;2.36,2.47,;3.13,3.81,;.82,2.47,;.05,3.81,;.34,1.01,;3.26,.19,;4.8,.19,)|

BDBM307708

COC1CC[C@]2(Cc3ccc(OCCCF)cc3C22C=C(F)C(N)=N2)CC1 |r,wU:5.5,c:25,t:21,(7.88,-2.47,;7.11,-1.14,;5.57,-1.14,;4.8,.19,;3.26,.19,;2.49,-1.14,;1.59,-2.39,;.12,-1.91,;-1.21,-2.68,;-2.55,-1.91,;-2.55,-.37,;-3.88,.4,;-5.21,-.37,;-6.55,.4,;-7.88,-.37,;-9.21,.4,;-1.21,.4,;.12,-.37,;1.59,.1,;2.83,1.01,;2.36,2.47,;3.13,3.81,;.82,2.47,;.05,3.81,;.34,1.01,;3.26,-2.47,;4.8,-2.47,)|

BDBM136706

CC1=NC2(CCOc3ccc(cc23)-c2cc(Cl)cc(Cl)c2)N=C1N |c:24,t:1|

BDBM136707

CC1=NC2(CCOc3ccc(cc23)-c2cncc(Cl)c2)N=C1N |c:23,t:1|

BDBM136708

CC1=NC2(CCOc3ccc(cc23)-c2cc(F)cc(F)c2)N=C1N |c:24,t:1|

BDBM136914

CC1=NC2(CCOc3ccc(cc23)-c2cc(C)cc(C)c2)N=C1N |c:24,t:1|

BDBM136915

COc1ccc(OC)c(c1)-c1ccc2OCCC3(N=C(C)C(N)=N3)c2c1 |c:23,t:19|

BDBM136916

CC1=NC2(CCOc3ccc(cc23)-c2cccc(F)c2F)N=C1N |c:24,t:1|

BDBM136918

COc1ccc(F)cc1-c1ccc2OCCC3(N=C(C)C(N)=N3)c2c1 |c:22,t:18|

BDBM136919

COc1cccc(c1F)-c1ccc2OCCC3(N=C(C)C(N)=N3)c2c1 |c:22,t:18|

BDBM136920

COc1ccc(C)cc1-c1ccc2OCCC3(N=C(C)C(N)=N3)c2c1 |c:22,t:18|

BDBM136921

CC1=NC2(CCOc3ccc(cc23)-c2cc(C)ccc2F)N=C1N |c:24,t:1|

BDBM136922

COc1ccc(F)c(c1)-c1ccc2OCCC3(N=C(C)C(N)=N3)c2c1 |c:22,t:18|

BDBM136709

CC1=NC2(CCOc3ccc(NC(=O)c4ccc(Cl)cn4)cc23)N=C1N |c:26,t:1|

BDBM136710

CC1=NC2(CCOc3ccc(NC(=O)c4ccc(cn4)C(F)(F)F)cc23)N=C1N |c:29,t:1|

BDBM136711

CC#CCOc1ccc(nc1)C(=O)Nc1ccc2OCCC3(N=C(C)C(N)=N3)c2c1 |c:27,t:23|

BDBM136712

CC#CCOc1cnc(cn1)C(=O)Nc1ccc2OCCC3(N=C(C)C(N)=N3)c2c1 |c:27,t:23|

BDBM136713

CC1=NC2(CCOc3ccc(NC(=O)c4ccc(C)s4)cc23)N=C1N |c:25,t:1|

BDBM136714

CC1=NC2(CCOc3ccc(NC(=O)c4ncc(Cl)cc4Cl)cc23)N=C1N |c:27,t:1|

BDBM136715

CC1=NC2(N=C1N)c1cc(Br)ccc1CC21CCC(CC1)OC(F)F |c:4,t:1,(-2.89,3.64,;-2.12,2.3,;-2.6,.84,;-1.35,-.07,;-.1,.84,;-.58,2.3,;.19,3.64,;-2.6,-.97,;-4.1,-.65,;-5.13,-1.79,;-6.62,-1.4,;-4.66,-3.26,;-3.15,-3.58,;-2.12,-2.44,;-.58,-2.44,;-.1,-.97,;.67,-2.3,;2.21,-2.3,;2.98,-.97,;2.21,.36,;.67,.36,;4.52,-.97,;5.29,-2.3,;4.52,-3.64,;6.62,-3.07,)|

BDBM136726

COC1CC[C@]2(Cc3ccc(Br)cc3[C@]22N=C(C)C(N)=N2)CC1 |r,wD:5.5,14.16,c:21,t:17,(5.88,-3.04,;5.11,-1.7,;3.57,-1.7,;2.8,-3.04,;1.26,-3.04,;.49,-1.7,;-.41,-2.95,;-1.88,-2.47,;-3.21,-3.24,;-4.55,-2.47,;-4.55,-.93,;-5.88,-.16,;-3.21,-.16,;-1.88,-.93,;-.41,-.46,;-1.66,.45,;-1.18,1.91,;-1.95,3.24,;.36,1.91,;1.13,3.24,;.83,.45,;1.26,-.37,;2.8,-.37,)|

BDBM136725

COC1CC[C@]2(Cc3ccc(Br)cc3[C@@]22N=C(C)C(N)=N2)CC1 |r,wU:14.16,wD:5.5,c:21,t:17,(5.88,-3.04,;5.11,-1.7,;3.57,-1.7,;2.8,-3.04,;1.26,-3.04,;.49,-1.7,;-.41,-2.95,;-1.88,-2.47,;-3.21,-3.24,;-4.55,-2.47,;-4.55,-.93,;-5.88,-.16,;-3.21,-.16,;-1.88,-.93,;-.41,-.46,;-1.66,.45,;-1.18,1.91,;-1.95,3.24,;.36,1.91,;1.13,3.24,;.83,.45,;1.26,-.37,;2.8,-.37,)|

BDBM50393099

CO[C@H]1CC[C@@]2(Cc3ccc(cc3C22N=C(C)C(N)=N2)-c2cncc(c2)C#CC)CC1 |r,wD:5.5,2.1,c:20,t:16,(7.86,-1.04,;7.1,.3,;5.56,.32,;4.8,1.65,;3.26,1.67,;2.49,.34,;1.59,-.92,;.12,-.45,;-1.22,-1.23,;-2.56,-.46,;-2.55,1.09,;-1.22,1.86,;.11,1.1,;1.57,1.58,;.66,2.82,;1.55,4.07,;1.05,5.53,;3.02,3.61,;4.26,4.53,;3.03,2.07,;-3.88,1.86,;-3.88,3.4,;-5.21,4.17,;-6.55,3.4,;-6.54,1.85,;-5.21,1.09,;-7.87,1.08,;-9.22,.32,;-10.56,-.44,;3.25,-1,;4.78,-1,)|

BDBM376564

CO[C@H]1CC[C@]2(Cc3ccc(cc3C22N=C(C)C(N)=N2)-c2cncc(c2)C#CC)CC1 |r,wU:2.1,wD:5.5,c:20,t:16,(9.21,-3.04,;8.44,-1.7,;6.9,-1.7,;6.13,-3.04,;4.59,-3.04,;3.82,-1.7,;2.92,-2.95,;1.45,-2.47,;.12,-3.24,;-1.21,-2.47,;-1.21,-.93,;.12,-.16,;1.45,-.93,;2.92,-.46,;1.67,.45,;2.15,1.91,;1.38,3.24,;3.69,1.91,;4.46,3.24,;4.17,.45,;-2.55,-.16,;-2.55,1.38,;-3.88,2.15,;-5.21,1.38,;-5.21,-.16,;-3.88,-.93,;-6.55,-.93,;-7.88,-1.7,;-9.21,-2.47,;4.59,-.37,;6.13,-.37,)|

BDBM136736

CO[C@H]1CC[C@@]2(Cc3ccc(cc3C22N=C(C)C(N)=N2)-c2cc(ccn2)C#CC)CC1 |r,wD:5.5,2.1,c:20,t:16,(9.21,-.37,;8.44,-1.7,;6.9,-1.7,;6.13,-.37,;4.59,-.37,;3.82,-1.7,;2.92,-2.95,;1.45,-2.47,;.12,-3.24,;-1.21,-2.47,;-1.21,-.93,;.12,-.16,;1.45,-.93,;2.92,-.46,;1.67,.45,;2.15,1.91,;1.38,3.24,;3.69,1.91,;4.46,3.24,;4.17,.45,;-2.55,-.16,;-3.88,-.93,;-5.21,-.16,;-5.21,1.38,;-3.88,2.15,;-2.55,1.38,;-6.55,-.93,;-7.88,-1.7,;-9.21,-2.47,;4.59,-3.04,;6.13,-3.04,)|

BDBM136737

CO[C@H]1CC[C@@]2(Cc3ccc(cc3C22N=C(C)C(N)=N2)-c2cc(cc(c2)C#N)C#N)CC1 |r,wD:5.5,2.1,c:20,t:16,(8.55,-4.03,;7.78,-2.69,;6.24,-2.69,;5.47,-1.36,;3.93,-1.36,;3.16,-2.69,;2.25,-3.94,;.79,-3.47,;-.55,-4.23,;-1.88,-3.47,;-1.88,-1.93,;-.55,-1.15,;.79,-1.93,;2.25,-1.45,;1.01,-.54,;1.48,.92,;.71,2.25,;3.02,.92,;3.79,2.25,;3.5,-.54,;-3.21,-1.15,;-4.55,-1.93,;-5.88,-1.15,;-5.88,.38,;-4.55,1.15,;-3.21,.38,;-4.55,2.69,;-4.55,4.23,;-7.21,-1.93,;-8.55,-2.69,;3.93,-4.03,;5.47,-4.03,)|

BDBM50393100

CO[C@H]1CC[C@@]2(Cc3ccc(cc3C22N=C(C)C(N)=N2)-c2cc(Cl)cc(c2)C#N)CC1 |r,wD:5.5,2.1,c:20,t:16,(26.92,-.87,;26.16,.47,;24.62,.49,;23.85,1.82,;22.31,1.84,;21.54,.51,;20.64,-.74,;19.17,-.28,;17.83,-1.06,;16.5,-.28,;16.5,1.26,;17.83,2.03,;19.17,1.27,;20.63,1.75,;19.72,2.99,;20.6,4.25,;20.11,5.7,;22.08,3.78,;23.31,4.7,;22.09,2.24,;15.17,2.03,;15.17,3.57,;13.84,4.34,;13.84,5.88,;12.51,3.57,;12.51,2.02,;13.85,1.26,;11.18,1.25,;9.84,.49,;22.31,-.83,;23.84,-.83,)|

BDBM136739

CO[C@H]1CC[C@@]2(Cc3ccc(cc3C22N=C(C)C(N)=N2)-c2cncc(Cl)c2)CC1 |r,wD:5.5,2.1,c:20,t:16,(7.21,-.59,;6.44,-1.93,;4.9,-1.93,;4.13,-.59,;2.59,-.59,;1.82,-1.93,;.92,-3.17,;-.55,-2.69,;-1.88,-3.47,;-3.21,-2.69,;-3.21,-1.15,;-1.88,-.38,;-.55,-1.15,;.92,-.68,;-.33,.23,;.15,1.69,;-.62,3.02,;1.69,1.69,;2.46,3.02,;2.16,.23,;-4.55,-.38,;-5.88,-1.15,;-7.21,-.38,;-7.21,1.15,;-5.88,1.93,;-5.88,3.47,;-4.55,1.15,;2.59,-3.26,;4.13,-3.26,)|

BDBM136741

CO[C@H]1CC[C@@]2(Cc3ccc(cc3C22N=C(C)C(N)=N2)-c2cncc(F)c2)CC1 |r,wD:5.5,2.1,c:20,t:16,(7.21,-.59,;6.44,-1.93,;4.9,-1.93,;4.13,-.59,;2.59,-.59,;1.82,-1.93,;.92,-3.17,;-.55,-2.69,;-1.88,-3.47,;-3.21,-2.69,;-3.21,-1.15,;-1.88,-.38,;-.55,-1.15,;.92,-.68,;-.33,.23,;.15,1.69,;-.62,3.02,;1.69,1.69,;2.46,3.02,;2.16,.23,;-4.55,-.38,;-5.88,-1.15,;-7.21,-.38,;-7.21,1.15,;-5.88,1.93,;-5.88,3.47,;-4.55,1.15,;2.59,-3.26,;4.13,-3.26,)|

BDBM136743

CO[C@H]1CC[C@@]2(Cc3ccc(cc3C22N=C(C)C(N)=N2)-c2ccc(F)c(c2)C#N)CC1 |r,wD:5.5,2.1,c:20,t:16,(8.55,-.37,;7.78,-1.7,;6.24,-1.7,;5.47,-.37,;3.93,-.37,;3.16,-1.7,;2.25,-2.95,;.79,-2.47,;-.55,-3.24,;-1.88,-2.47,;-1.88,-.93,;-.55,-.16,;.79,-.93,;2.25,-.46,;1.01,.45,;1.48,1.91,;.71,3.24,;3.02,1.91,;3.79,3.24,;3.5,.45,;-3.21,-.16,;-3.21,1.38,;-4.55,2.15,;-5.88,1.38,;-7.21,2.15,;-5.88,-.16,;-4.55,-.93,;-7.21,-.93,;-8.55,-1.7,;3.93,-3.04,;5.47,-3.04,)|

BDBM136745

CO[C@H]1CC[C@@]2(Cc3ccc(cc3C22N=C(C)C(N)=N2)C#CC(C)(C)C)CC1 |r,wD:5.5,2.1,c:20,t:16,(7.88,-3.04,;7.11,-1.7,;5.57,-1.7,;4.8,-.37,;3.26,-.37,;2.49,-1.7,;1.59,-2.95,;.12,-2.47,;-1.21,-3.24,;-2.55,-2.47,;-2.55,-.93,;-1.21,-.16,;.12,-.93,;1.59,-.46,;.34,.45,;.82,1.91,;.05,3.24,;2.36,1.91,;3.13,3.24,;2.83,.45,;-3.88,-.16,;-5.21,.61,;-6.55,1.38,;-7.88,2.15,;-5.78,2.71,;-7.32,.04,;3.26,-3.04,;4.8,-3.04,)|

BDBM376577

CO[C@H]1CC[C@]2(Cc3ccc(cc3C22N=C(C)C(N)=N2)C#CC(C)(C)C)CC1 |r,wU:2.1,wD:5.5,c:20,t:16,(7.88,-3.04,;7.11,-1.7,;5.57,-1.7,;4.8,-3.04,;3.26,-3.04,;2.49,-1.7,;1.59,-2.95,;.12,-2.47,;-1.21,-3.24,;-2.55,-2.47,;-2.55,-.93,;-1.21,-.16,;.12,-.93,;1.59,-.46,;.34,.45,;.82,1.91,;.05,3.24,;2.36,1.91,;3.13,3.24,;2.83,.45,;-3.88,-.16,;-5.21,.61,;-6.55,1.38,;-7.88,2.15,;-5.78,2.71,;-7.32,.04,;3.26,-.37,;4.8,-.37,)|

BDBM50393101

CO[C@H]1CC[C@@]2(Cc3ccc(cc3C22N=C(C)C(N)=N2)C#CC2CC2)CC1 |r,wD:5.5,2.1,c:20,t:16,(43.93,-2.27,;43.17,-.93,;41.63,-.91,;40.87,.42,;39.33,.44,;38.56,-.89,;37.66,-2.14,;36.19,-1.68,;34.85,-2.46,;33.52,-1.68,;33.52,-.14,;34.85,.63,;36.18,-.13,;37.65,.35,;36.73,1.59,;37.62,2.85,;37.13,4.3,;39.09,2.38,;40.33,3.3,;39.11,.84,;32.19,.63,;30.85,1.4,;29.51,2.17,;28.74,3.49,;27.97,2.16,;39.32,-2.23,;40.86,-2.23,)|

BDBM376580

CO[C@H]1CC[C@]2(Cc3ccc(cc3C22N=C(C)C(N)=N2)C#CC2CC2)CC1 |r,wU:2.1,wD:5.5,c:20,t:16,(7.88,-3.04,;7.11,-1.7,;5.57,-1.7,;4.8,-3.04,;3.26,-3.04,;2.49,-1.7,;1.59,-2.95,;.12,-2.47,;-1.21,-3.24,;-2.55,-2.47,;-2.55,-.93,;-1.21,-.16,;.12,-.93,;1.59,-.46,;.34,.45,;.82,1.91,;.05,3.24,;2.36,1.91,;3.13,3.24,;2.83,.45,;-3.88,-.16,;-5.21,.61,;-6.55,1.38,;-8.08,1.21,;-7.17,2.78,;3.26,-.37,;4.8,-.37,)|

BDBM136750

CO[C@H]1CC[C@@]2(Cc3ccc(NC(=O)c4ncc(Br)cn4)cc3C22N=C(C)C(N)=N2)CC1 |r,wD:5.5,2.1,c:31,t:27,(9.48,-3.04,;8.71,-1.7,;7.17,-1.7,;6.4,-.37,;4.86,-.37,;4.09,-1.7,;3.18,-2.95,;1.72,-2.47,;.38,-3.24,;-.95,-2.47,;-.95,-.93,;-2.44,-.54,;-3.53,-1.63,;-3.13,-3.11,;-5.01,-1.23,;-5.41,.26,;-6.9,.66,;-7.99,-.43,;-9.48,-.03,;-7.59,-1.92,;-6.1,-2.32,;.38,-.16,;1.72,-.93,;3.18,-.46,;1.94,.45,;2.41,1.91,;1.64,3.24,;3.95,1.91,;4.72,3.24,;4.43,.45,;4.86,-3.04,;6.4,-3.04,)|

BDBM136751

CO[C@H]1CC[C@@]2(Cc3ccc(NC(=O)c4ccc(cn4)C(F)(F)F)cc3C22N=C(C)C(N)=N2)CC1 |r,wD:5.5,2.1,c:34,t:30,(10.02,-3.04,;9.25,-1.7,;7.71,-1.7,;6.94,-.37,;5.4,-.37,;4.63,-1.7,;3.73,-2.95,;2.26,-2.47,;.93,-3.24,;-.41,-2.47,;-.41,-.93,;-1.89,-.54,;-2.98,-1.63,;-2.58,-3.11,;-4.47,-1.23,;-4.87,.26,;-6.36,.66,;-7.44,-.43,;-7.05,-1.92,;-5.56,-2.32,;-8.93,-.03,;-9.33,1.46,;-10.02,-1.12,;-7.84,1.06,;.93,-.16,;2.26,-.93,;3.73,-.46,;2.48,.45,;2.96,1.91,;2.19,3.24,;4.5,1.91,;5.27,3.24,;4.97,.45,;5.4,-3.04,;6.94,-3.04,)|

BDBM136752

CO[C@H]1CC[C@@]2(Cc3ccc(NC(=O)c4oc5cc(Cl)ccc5c4C)cc3C22N=C(C)C(N)=N2)CC1 |r,wD:5.5,2.1,c:36,t:32,(10.51,-3.04,;9.74,-1.7,;8.2,-1.7,;7.43,-.37,;5.89,-.37,;5.12,-1.7,;4.22,-2.95,;2.75,-2.47,;1.42,-3.24,;.09,-2.47,;.09,-.93,;-1.4,-.54,;-2.49,-1.63,;-2.09,-3.11,;-3.98,-1.23,;-5.22,-2.13,;-6.47,-1.23,;-7.98,-1.55,;-9.01,-.4,;-10.51,-.72,;-8.53,1.06,;-7.02,1.38,;-5.99,.24,;-4.45,.24,;-3.68,1.57,;1.42,-.16,;2.75,-.93,;4.22,-.46,;2.97,.45,;3.45,1.91,;2.68,3.24,;4.99,1.91,;5.76,3.24,;5.46,.45,;5.89,-3.04,;7.43,-3.04,)|

BDBM136753

CO[C@H]1CC[C@@]2(Cc3ccc(NC(=O)c4ncc(Cl)cc4Cl)cc3C22N=C(C)C(N)=N2)CC1 |r,wD:5.5,2.1,c:32,t:28,(9.48,-2.76,;8.71,-1.43,;7.17,-1.43,;6.4,-.09,;4.86,-.09,;4.09,-1.43,;3.18,-2.67,;1.72,-2.2,;.38,-2.97,;-.95,-2.2,;-.95,-.66,;-2.44,-.26,;-3.53,-1.35,;-3.13,-2.83,;-5.01,-.95,;-5.41,.54,;-6.9,.94,;-7.99,-.15,;-9.48,.25,;-7.59,-1.64,;-6.1,-2.04,;-5.7,-3.52,;.38,.11,;1.72,-.66,;3.18,-.18,;1.94,.73,;2.41,2.19,;1.64,3.52,;3.95,2.19,;4.72,3.52,;4.43,.73,;4.86,-2.76,;6.4,-2.76,)|

BDBM136754

CO[C@H]1CC[C@@]2(Cc3ccc(NC(=O)c4ccc(Cl)cn4)cc3C22N=C(C)C(N)=N2)CC1 |r,wD:5.5,2.1,c:31,t:27,(9.48,-3.04,;8.71,-1.7,;7.17,-1.7,;6.4,-.37,;4.86,-.37,;4.09,-1.7,;3.18,-2.95,;1.72,-2.47,;.38,-3.24,;-.95,-2.47,;-.95,-.93,;-2.44,-.54,;-3.53,-1.63,;-3.13,-3.11,;-5.01,-1.23,;-5.41,.26,;-6.9,.66,;-7.99,-.43,;-9.48,-.03,;-7.59,-1.92,;-6.1,-2.32,;.38,-.16,;1.72,-.93,;3.18,-.46,;1.94,.45,;2.41,1.91,;1.64,3.24,;3.95,1.91,;4.72,3.24,;4.43,.45,;4.86,-3.04,;6.4,-3.04,)|

BDBM50393102

CO[C@H]1CC[C@@]2(Cc3ccc(OCC(C)C)cc3C22N=C(C)C(N)=N2)CC1 |r,wD:5.5,2.1,c:25,t:21,(5.46,-10.89,;4.7,-9.55,;3.16,-9.54,;2.4,-8.2,;.86,-8.18,;.08,-9.52,;-.81,-10.77,;-2.28,-10.3,;-3.62,-11.08,;-4.96,-10.31,;-4.96,-8.77,;-6.29,-8,;-7.62,-8.76,;-8.95,-7.99,;-10.29,-8.76,;-8.95,-6.45,;-3.63,-7.99,;-2.29,-8.76,;-.83,-8.27,;-1.74,-7.04,;-.86,-5.78,;-1.35,-4.32,;.62,-6.24,;1.85,-5.32,;.63,-7.78,;.85,-10.85,;2.38,-10.86,)|

BDBM376588

CO[C@H]1CC[C@]2(Cc3ccc(OCC(C)C)cc3C22N=C(C)C(N)=N2)CC1 |r,wU:5.5,wD:2.1,c:25,t:21,(-5.14,-5.1,;-4.37,-3.77,;-2.83,-3.77,;-2.06,-5.1,;-.52,-5.1,;.25,-3.77,;1.16,-2.53,;2.62,-3,;3.96,-2.23,;5.29,-3,;5.29,-4.54,;6.62,-5.31,;7.96,-4.54,;9.29,-5.31,;10.62,-4.54,;9.29,-6.85,;3.96,-5.31,;2.62,-4.54,;1.16,-5.02,;-.36,-5.7,;-.31,-7.03,;-1.55,-7.94,;1.16,-7.51,;1.63,-8.97,;2.06,-6.26,;-.52,-2.44,;-2.06,-2.44,)|

BDBM136761

CO[C@H]1CC[C@@]2(Cc3ccc(OCCC(F)(F)F)cc3C22N=C(C)C(N)=N2)CC1 |r,wD:5.5,2.1,c:27,t:23,(7.88,-3.04,;7.11,-1.7,;5.57,-1.7,;4.8,-.37,;3.26,-.37,;2.49,-1.7,;1.59,-2.95,;.12,-2.47,;-1.21,-3.24,;-2.55,-2.47,;-2.55,-.93,;-3.88,-.16,;-3.88,1.38,;-5.21,2.15,;-6.55,1.38,;-7.88,2.15,;-6.55,-.16,;-6.95,2.86,;-1.21,-.16,;.12,-.93,;1.59,-.46,;.34,.45,;.82,1.91,;.05,3.24,;2.36,1.91,;3.13,3.24,;2.83,.45,;3.26,-3.04,;4.8,-3.04,)|

BDBM136765

CO[C@H]1CC[C@@]2(Cc3ccc(OCCCF)cc3C22N=C(C)C(N)=N2)CC1 |r,wD:5.5,2.1,c:25,t:21,(8.55,-3.04,;7.78,-1.7,;6.24,-1.7,;5.47,-.37,;3.93,-.37,;3.16,-1.7,;2.25,-2.95,;.79,-2.47,;-.55,-3.24,;-1.88,-2.47,;-1.88,-.93,;-3.21,-.16,;-4.55,-.93,;-5.88,-.16,;-7.21,-.93,;-8.55,-.16,;-.55,-.16,;.79,-.93,;2.25,-.46,;1.01,.45,;1.48,1.91,;.71,3.24,;3.02,1.91,;3.79,3.24,;3.5,.45,;3.93,-3.04,;5.47,-3.04,)|

BDBM136766

CO[C@H]1CC[C@@]2(Cc3ccc(NC(=O)c4ncc(Cl)cc4C)cc3C22N=C(C)C(N)=N2)CC1 |r,wD:5.5,2.1,c:32,t:28,(7.92,-.84,;6.83,.25,;5.34,-.15,;4.25,.94,;2.77,.54,;2.37,-.95,;2.21,-2.48,;.7,-2.8,;-.07,-4.13,;-1.61,-4.13,;-2.38,-2.8,;-3.92,-2.8,;-5.25,-2.03,;-6.59,-2.8,;-5.25,-.49,;-3.92,.28,;-3.92,1.82,;-5.25,2.59,;-5.25,4.13,;-6.59,1.82,;-6.59,.28,;-7.92,-.49,;-1.61,-1.46,;-.07,-1.46,;.96,-.32,;-.5,.16,;-.5,1.7,;-1.84,2.47,;.96,2.17,;1.73,3.51,;1.87,.93,;3.46,-2.04,;4.94,-1.64,)|

BDBM136767

CO[C@H]1CC[C@@]2(Cc3ccc(NC(=O)c4ccc(F)cn4)cc3C22N=C(C)C(N)=N2)CC1 |r,wD:5.5,2.1,c:31,t:27,(9.4,-3.04,;8.63,-1.7,;7.09,-1.7,;6.32,-.37,;4.78,-.37,;4.01,-1.7,;3.1,-2.95,;1.64,-2.47,;.31,-3.24,;-1.03,-2.47,;-1.03,-.93,;-2.36,-.16,;-3.45,-1.25,;-3.05,-2.74,;-4.94,-.86,;-5.34,.63,;-6.82,1.03,;-7.91,-.06,;-9.4,.34,;-7.51,-1.55,;-6.03,-1.94,;.31,-.16,;1.64,-.93,;3.1,-.46,;1.86,.45,;2.33,1.91,;1.56,3.24,;3.87,1.91,;4.64,3.24,;4.35,.45,;4.78,-3.04,;6.32,-3.04,)|

BDBM136768

CO[C@H]1CC[C@@]2(Cc3ccc(cc3C22N=C(C)C(N)=N2)-c2ccnc(c2)C#CC)CC1 |r,wD:5.5,2.1,c:20,t:16,(9.21,-.37,;8.44,-1.7,;6.9,-1.7,;6.13,-.37,;4.59,-.37,;3.82,-1.7,;2.92,-2.95,;1.45,-2.47,;.12,-3.24,;-1.21,-2.47,;-1.21,-.93,;.12,-.16,;1.45,-.93,;2.92,-.46,;1.67,.45,;2.15,1.91,;1.38,3.24,;3.69,1.91,;4.46,3.24,;4.16,.45,;-2.55,-.16,;-2.55,1.38,;-3.88,2.15,;-5.21,1.38,;-5.21,-.16,;-3.88,-.93,;-6.55,-.93,;-7.88,-1.7,;-9.21,-2.47,;4.59,-3.04,;6.13,-3.04,)|

BDBM50393103

CO[C@H]1CC[C@@]2(Cc3ccc(cc3C22N=C(C)C(N)=N2)-c2cccc(c2)C#CC)CC1 |r,wD:5.5,2.1,c:20,t:16,(25.81,-10.6,;25.05,-9.26,;23.51,-9.24,;22.75,-7.91,;21.21,-7.89,;20.44,-9.22,;19.54,-10.47,;18.07,-10.01,;16.73,-10.79,;15.4,-10.01,;15.4,-8.47,;16.73,-7.7,;18.06,-8.46,;19.53,-7.98,;18.61,-6.74,;19.5,-5.48,;19,-4.03,;20.97,-5.95,;22.21,-5.03,;20.99,-7.49,;14.07,-7.7,;14.07,-6.16,;12.74,-5.39,;11.4,-6.16,;11.41,-7.71,;12.74,-8.47,;10.08,-8.48,;8.73,-9.24,;7.39,-10,;21.2,-10.56,;22.73,-10.56,)|

BDBM50393104

CO[C@H]1CC[C@@]2(Cc3ccc(cc3C22N=C(C)C(N)=N2)-c2cncc(Br)c2)CC1 |r,wD:5.5,2.1,c:20,t:16,(44.87,-11.75,;44.11,-10.41,;42.57,-10.39,;41.81,-9.06,;40.27,-9.04,;39.5,-10.37,;38.6,-11.63,;37.13,-11.16,;35.79,-11.94,;34.46,-11.17,;34.46,-9.62,;35.79,-8.85,;37.12,-9.61,;38.59,-9.13,;37.67,-7.89,;38.56,-6.64,;38.07,-5.18,;40.04,-7.1,;41.27,-6.18,;40.05,-8.64,;33.13,-8.85,;33.13,-7.31,;31.8,-6.54,;30.47,-7.31,;30.47,-8.86,;29.14,-9.63,;31.8,-9.62,;40.26,-11.71,;41.8,-11.71,)|

BDBM136772

CC1=NC2(N=C1N)c1cc(Br)ccc1CC21CCOCC1 |c:4,t:1|

BDBM136773

CC1=NC2(N=C1N)c1cc(ccc1CC21CCOCC1)-c1cccc(Cl)c1 |c:4,t:1|

BDBM136774

CC1=NC2(N=C1N)c1cc(ccc1CC21CCOCC1)-c1ccc(F)c(Cl)c1 |c:4,t:1|

BDBM136778

CC1=NC2(N=C1N)c1cc(Br)ccc1CC21CCC(F)(F)CC1 |c:4,t:1|

BDBM136779

CC1=NC2(N=C1N)c1cc(ccc1CC21CCC(F)(F)CC1)-c1cncc(Cl)c1 |c:4,t:1|

BDBM136781

CC1=NC2(N=C1N)c1cc(NC(=O)c3ccc(Cl)cn3)ccc1CC21CCC(F)(F)CC1 |c:4,t:1|

BDBM136782

CC#Cc1cncc(c1)-c1ccc2CC3(CCC(F)(F)CC3)C3(N=C(C)C(N)=N3)c2c1 |c:29,t:25|

BDBM136786

COC1CCC2(CC1)Oc1ccc(Br)cc1C21N=C(C)C(N)=N1 |c:24,t:20,(5.95,-2.33,;5.18,-1,;3.64,-1,;2.87,-2.33,;1.33,-2.33,;.56,-1,;1.33,.33,;2.87,.33,;.09,-2.46,;-1.45,-2.46,;-2.48,-3.61,;-3.99,-3.29,;-4.47,-1.82,;-5.95,-1.43,;-3.44,-.68,;-1.93,-1,;-.68,-.09,;-1.93,.81,;-1.45,2.28,;-2.22,3.61,;.09,2.28,;.86,3.61,;.56,.81,)|

BDBM136787

COC1CCC2(CC1)Oc1ccc(cc1C21N=C(C)C(N)=N1)-c1cccc(Cl)c1 |c:23,t:19,(7.79,-2.33,;7.02,-1,;5.48,-1,;4.71,-2.33,;3.17,-2.33,;2.4,-1,;3.17,.33,;4.71,.33,;1.92,-2.46,;.38,-2.46,;-.65,-3.61,;-2.16,-3.29,;-2.63,-1.82,;-1.6,-.68,;-.1,-1,;1.15,-.09,;-.1,.81,;.38,2.28,;-.39,3.61,;1.92,2.28,;2.69,3.61,;2.4,.81,;-4.12,-1.43,;-4.52,.06,;-6.01,.46,;-7.1,-.63,;-6.7,-2.12,;-7.79,-3.2,;-5.21,-2.51,)|

BDBM136788

COC1CCC2(CC1)Oc1ccc(cc1C21N=C(C)C(N)=N1)-c1cncc(Cl)c1 |c:23,t:19,(7.79,-2.33,;7.02,-1,;5.48,-1,;4.71,-2.33,;3.17,-2.33,;2.4,-1,;3.17,.33,;4.71,.33,;1.92,-2.46,;.38,-2.46,;-.65,-3.61,;-2.16,-3.29,;-2.63,-1.82,;-1.6,-.68,;-.1,-1,;1.15,-.09,;-.1,.81,;.38,2.28,;-.39,3.61,;1.92,2.28,;2.69,3.61,;2.4,.81,;-4.12,-1.43,;-4.52,.06,;-6.01,.46,;-7.1,-.63,;-6.7,-2.12,;-7.79,-3.2,;-5.21,-2.51,)|

BDBM136789

COC1CCC2(CC1)Oc1ccc(cc1C21N=C(C)C(N)=N1)-c1cncc(c1)C#CC |c:23,t:19|

BDBM376607

CC1=N[C@]2(C[C@@]3(CCCOC3)Oc3ccc(cc23)-c2cccc(Cl)c2)N=C1N |r,c:29,t:1|

BDBM376608

CC1=N[C@@]2(C[C@]3(CCCOC3)Oc3ccc(cc23)-c2cccc(Cl)c2)N=C1N |r,c:29,t:1|

BDBM376609

CC1=N[C@]2(C[C@@]3(CCCOC3)Oc3ccc(cc23)-c2ccc(F)c(Cl)c2)N=C1N |r,c:30,t:1|

BDBM376610

CC1=N[C@@]2(C[C@]3(CCCOC3)Oc3ccc(cc23)-c2ccc(F)c(Cl)c2)N=C1N |r,c:30,t:1|

BDBM369524

CC1=N[C@]2(C[C@H](Oc3ccc(Br)cc23)[C@H]2CCCOC2)N=C1N |r,c:23,t:1|

BDBM376612

CC1=N[C@]2(C[C@@H](Oc3ccc(Br)cc23)[C@H]2CCCOC2)N=C1N |r,c:23,t:1|

BDBM376613

CC1=N[C@@]2(C[C@H](Oc3ccc(Br)cc23)[C@@H]2CCCOC2)N=C1N |r,c:23,t:1|

BDBM369520

CC1=N[C@]2(C[C@H](Oc3ccc(Br)cc23)[C@@H]2CCCOC2)N=C1N |r,c:23,t:1|

BDBM376615

CC1=N[C@]2(C[C@@H](Oc3ccc(Br)cc23)[C@@H]2CCCOC2)N=C1N |r,c:23,t:1|

BDBM136800

CC1=N[C@]2(C[C@H](Oc3ccc(cc23)-c2cccc(Cl)c2)[C@@H]2CCCOC2)N=C1N |r,c:30,t:1|

BDBM136803

CC1=N[C@]2(C[C@H](Oc3ccc(cc23)-c2cccc(Cl)c2)[C@H]2CCCOC2)N=C1N |r,c:30,t:1|

BDBM136802

CC1=N[C@]2(C[C@@H](Oc3ccc(cc23)-c2cccc(Cl)c2)[C@@H]2CCCOC2)N=C1N |r,c:30,t:1|

BDBM136801

CC1=N[C@]2(C[C@@H](Oc3ccc(cc23)-c2cccc(Cl)c2)[C@H]2CCCOC2)N=C1N |r,c:30,t:1|

BDBM369525

CC1=N[C@@]2(C[C@H](Oc3ccc(cc23)-c2cccc(Cl)c2)[C@@H]2CCCOC2)N=C1N |r,c:30,t:1|

BDBM369526

CC1=N[C@@]2(C[C@H](Oc3ccc(cc23)-c2cccc(Cl)c2)[C@H]2CCCOC2)N=C1N |r,c:30,t:1|

BDBM369527

CC1=N[C@@]2(C[C@@H](Oc3ccc(cc23)-c2cccc(Cl)c2)[C@@H]2CCCOC2)N=C1N |r,c:30,t:1|

BDBM369528

CC1=N[C@@]2(C[C@@H](Oc3ccc(cc23)-c2cccc(Cl)c2)[C@H]2CCCOC2)N=C1N |r,c:30,t:1|

BDBM136806

CC1=NC2(CC(Oc3ccc(Br)cc23)C2CCOC(C)(C)C2)N=C1N |c:25,t:1|

BDBM136807

CC1=NC2(CC(Oc3ccc(cc23)-c2cccc(Cl)c2)C2CCOC(C)(C)C2)N=C1N |c:32,t:1|

BDBM376626

CC1=N[C@]2(CC(Oc3ccc(cc23)-c2cccc(Cl)c2)[C@@H]2CCOC(C)(C)C2)N=C1N |r,c:32,t:1|

BDBM136808

CC1=NC2(CCCc3ccc(Br)cc23)N=C1N |c:16,t:1|

BDBM136818

CC1=NC2(N=C1N)c1cc(Br)ccc1CC21CCC1 |c:4,t:1|

BDBM136819

CC1=NC2(N=C1N)c1cc(ccc1CC21CCC1)-c1cncc(Cl)c1 |c:4,t:1|

BDBM136820

CC#Cc1cncc(c1)-c1ccc2CC3(CCC3)C3(N=C(C)C(N)=N3)c2c1 |c:25,t:21|

BDBM376631

CC#Cc1cncc(c1)-c1ccc2C[C@]3(CCC3)[C@@]3(N=C(C)C(N)=N3)c2c1 |r,c:25,t:21|

BDBM376632

CC#Cc1cncc(c1)-c1ccc2C[C@]3(CCC3)[C@]3(N=C(C)C(N)=N3)c2c1 |r,c:25,t:21|

BDBM136821

CC1=NC2(N=C1N)c1cc(ccc1CC21CCC1)C#CC1CC1 |c:4,t:1|

BDBM136822

CC1=NC2(N=C1N)c1cc(ccc1CC21CCC1)C#CC(C)(C)C |c:4,t:1|

BDBM136823

CO[C@H]1CC[C@@]2(Cc3ccc(cc3C22N=C(C)C(N)=N2)-c2cnc(C)c(Cl)c2)CC1 |r,wD:5.5,2.1,c:20,t:16,(7.88,-3.04,;7.11,-1.7,;5.57,-1.7,;4.8,-.37,;3.26,-.37,;2.49,-1.7,;1.59,-2.95,;.12,-2.47,;-1.21,-3.24,;-2.55,-2.47,;-2.55,-.93,;-1.21,-.16,;.12,-.93,;1.59,-.46,;.34,.45,;.82,1.91,;.05,3.24,;2.36,1.91,;3.13,3.24,;2.83,.45,;-3.88,-.16,;-3.88,1.38,;-5.21,2.15,;-6.55,1.38,;-7.88,2.15,;-6.55,-.16,;-7.88,-.93,;-5.21,-.93,;3.26,-3.04,;4.8,-3.04,)|

BDBM136824

CO[C@H]1CC[C@@]2(Cc3ccc(cc3[C@@]22N=C(C)C(N)=N2)-c2cnc(C)c(Cl)c2)CC1 |r,wU:13.15,wD:5.5,2.1,c:20,t:16,(7.88,-3.04,;7.11,-1.7,;5.57,-1.7,;4.8,-.37,;3.26,-.37,;2.49,-1.7,;1.59,-2.95,;.12,-2.47,;-1.21,-3.24,;-2.55,-2.47,;-2.55,-.93,;-1.21,-.16,;.12,-.93,;1.59,-.46,;.34,.45,;.82,1.91,;.05,3.24,;2.36,1.91,;3.13,3.24,;2.83,.45,;-3.88,-.16,;-3.88,1.38,;-5.21,2.15,;-6.55,1.38,;-7.88,2.15,;-6.55,-.16,;-7.88,-.93,;-5.21,-.93,;3.26,-3.04,;4.8,-3.04,)|

BDBM136825

CO[C@H]1CC[C@@]2(Cc3ccc(cc3C22N=C(C)C(N)=N2)-c2cc(Cl)cnc2C)CC1 |r,wD:5.5,2.1,c:20,t:16,(7.88,-3.04,;7.11,-1.7,;5.57,-1.7,;4.8,-.37,;3.26,-.37,;2.49,-1.7,;1.59,-2.95,;.12,-2.47,;-1.21,-3.24,;-2.55,-2.47,;-2.55,-.93,;-1.21,-.16,;.12,-.93,;1.59,-.46,;.34,.45,;.82,1.91,;.05,3.24,;2.36,1.91,;3.13,3.24,;2.83,.45,;-3.88,-.16,;-5.21,-.93,;-6.55,-.16,;-7.88,-.93,;-6.55,1.38,;-5.21,2.15,;-3.88,1.38,;-2.55,2.15,;3.26,-3.04,;4.8,-3.04,)|

BDBM136826

CO[C@H]1CC[C@@]2(Cc3ccc(cc3C22N=C(C)C(N)=N2)-c2cncc(C#CC)c2C)CC1 |r,wD:5.5,2.1,c:20,t:16,(9.21,-3.04,;8.44,-1.7,;6.9,-1.7,;6.13,-.37,;4.59,-.37,;3.82,-1.7,;2.92,-2.95,;1.45,-2.47,;.12,-3.24,;-1.21,-2.47,;-1.21,-.93,;.12,-.16,;1.45,-.93,;2.92,-.46,;1.67,.45,;2.15,1.91,;1.38,3.24,;3.69,1.91,;4.46,3.24,;4.16,.45,;-2.55,-.16,;-2.55,1.38,;-3.88,2.15,;-5.21,1.38,;-5.21,-.16,;-6.55,-.93,;-7.88,-1.7,;-9.21,-2.47,;-3.88,-.93,;-3.88,-2.47,;4.59,-3.04,;6.13,-3.04,)|

BDBM136828

CCC1=NC2(N=C1N)c1cc(Br)ccc1C[C@@]21CC[C@@H](CC1)OC |r,wD:16.17,19.25,c:5,t:2,(-3.49,3.24,;-1.95,3.24,;-1.18,1.91,;-1.66,.45,;-.41,-.46,;.83,.45,;.36,1.91,;1.13,3.24,;-1.88,-.93,;-3.21,-.16,;-4.55,-.93,;-5.88,-.16,;-4.55,-2.47,;-3.21,-3.24,;-1.88,-2.47,;-.41,-2.95,;.49,-1.7,;1.26,-.37,;2.8,-.37,;3.57,-1.7,;2.8,-3.04,;1.26,-3.04,;5.11,-1.7,;5.88,-3.04,)|

BDBM136829

CCC1=NC2(N=C1N)c1cc(ccc1C[C@@]21CC[C@@H](CC1)OC)-c1cncc(Cl)c1 |r,wD:15.16,18.24,c:5,t:2,(-2.16,3.02,;-.62,3.02,;.15,1.69,;-.33,.23,;.92,-.68,;2.16,.23,;1.69,1.69,;2.46,3.02,;-.55,-1.16,;-1.88,-.39,;-3.21,-1.16,;-3.21,-2.7,;-1.88,-3.47,;-.55,-2.7,;.92,-3.17,;1.82,-1.93,;2.59,-.59,;4.13,-.59,;4.9,-1.93,;4.13,-3.26,;2.59,-3.26,;6.44,-1.93,;7.21,-3.26,;-4.55,-.39,;-5.88,-1.16,;-7.21,-.39,;-7.21,1.15,;-5.88,1.93,;-5.88,3.47,;-4.55,1.15,)|

BDBM136830

CCC1=NC2(N=C1N)c1cc(ccc1C[C@@]21CC[C@@H](CC1)OC)-c1cncc(c1)C#CC |r,wD:15.16,18.24,c:5,t:2,(-2.16,1.48,;-.62,1.48,;.15,.15,;-.33,-1.31,;.92,-2.22,;2.16,-1.31,;1.69,.15,;2.46,1.48,;-.55,-2.7,;-1.88,-1.93,;-3.21,-2.7,;-3.21,-4.24,;-1.88,-5,;-.55,-4.24,;.92,-4.71,;1.82,-3.47,;2.59,-2.13,;4.13,-2.13,;4.9,-3.47,;4.13,-4.8,;2.59,-4.8,;6.44,-3.47,;7.21,-4.8,;-4.55,-1.93,;-5.88,-2.7,;-7.21,-1.93,;-7.21,-.39,;-5.88,.38,;-4.55,-.39,;-5.88,1.93,;-5.88,3.47,;-5.88,5,)|

BDBM136831

CCC1=NC2(N=C1N)c1cc(ccc1C[C@@]21CC[C@@H](CC1)OC)-c1cncc(c1)C#N |r,wD:15.16,18.24,c:5,t:2,(-2.16,2.25,;-.62,2.25,;.15,.92,;-.33,-.54,;.92,-1.45,;2.16,-.54,;1.69,.92,;2.46,2.25,;-.55,-1.93,;-1.88,-1.16,;-3.21,-1.93,;-3.21,-3.47,;-1.88,-4.23,;-.55,-3.47,;.92,-3.94,;1.82,-2.7,;2.59,-1.36,;4.13,-1.36,;4.9,-2.7,;4.13,-4.03,;2.59,-4.03,;6.44,-2.7,;7.21,-1.36,;-4.55,-1.16,;-5.88,-1.93,;-7.21,-1.16,;-7.21,.38,;-5.88,1.15,;-4.55,.38,;-5.88,2.69,;-5.88,4.23,)|

BDBM136832

CCC1=NC2(N=C1N)c1cc(ccc1C[C@@]21CC[C@@H](CC1)OC)-c1cccc(c1)C#N |r,wD:15.16,18.24,c:5,t:2,(-2.16,2.25,;-.62,2.25,;.15,.92,;-.33,-.54,;.92,-1.45,;2.16,-.54,;1.69,.92,;2.46,2.25,;-.55,-1.93,;-1.88,-1.16,;-3.21,-1.93,;-3.21,-3.47,;-1.88,-4.23,;-.55,-3.47,;.92,-3.94,;1.82,-2.7,;2.59,-1.36,;4.13,-1.36,;4.9,-2.7,;4.13,-4.03,;2.59,-4.03,;6.44,-2.7,;7.21,-4.03,;-4.55,-1.16,;-5.88,-1.93,;-7.21,-1.16,;-7.21,.38,;-5.88,1.15,;-4.55,.38,;-5.88,2.69,;-5.88,4.23,)|

BDBM50393106

CCC#Cc1cncc(c1)-c1ccc2C[C@@]3(CC[C@@H](CC3)OC)C3(N=C(C)C(N)=N3)c2c1 |r,wD:15.15,18.22,c:30,t:26,(8.12,-19.34,;9.45,-20.12,;10.79,-19.37,;12.13,-18.61,;13.46,-17.83,;13.46,-16.29,;14.79,-15.52,;16.12,-16.29,;16.12,-17.83,;14.79,-18.6,;17.45,-18.6,;17.45,-20.14,;18.78,-20.91,;20.12,-20.13,;21.59,-20.6,;22.49,-19.35,;23.26,-18.01,;24.8,-18.03,;25.56,-19.37,;24.79,-20.69,;23.25,-20.68,;27.1,-19.38,;27.86,-20.72,;21.58,-18.1,;20.66,-16.87,;21.55,-15.61,;21.06,-14.15,;23.03,-16.07,;24.26,-15.16,;23.04,-17.61,;20.11,-18.59,;18.78,-17.83,)|

BDBM136833

CC#Cc1cncc(c1)-c1ccc2C[C@@]3(CC[C@H](O)CC3)[C@]3(N=C(C)C(N)=N3)c2c1 |r,wU:21.23,wD:14.14,17.18,c:28,t:24,(-8.83,-2.47,;-7.5,-1.7,;-6.16,-.93,;-4.83,-.16,;-4.83,1.38,;-3.49,2.15,;-2.16,1.38,;-2.16,-.16,;-3.49,-.93,;-.83,-.93,;-.83,-2.47,;.51,-3.24,;1.84,-2.47,;3.3,-2.95,;4.21,-1.7,;4.98,-.37,;6.52,-.37,;7.29,-1.7,;8.83,-1.7,;6.52,-3.04,;4.98,-3.04,;3.3,-.46,;2.06,.45,;2.53,1.91,;1.76,3.24,;4.07,1.91,;4.84,3.24,;4.55,.45,;1.84,-.93,;.51,-.16,)|

BDBM136834

CO[C@H]1CC[C@@]2(Cc3ccc(cc3C22N=C(C)C(N)=N2)-c2cc(C)cc(c2)C#N)CC1 |r,wD:5.5,2.1,c:20,t:16,(8.55,-.59,;7.78,-1.93,;6.24,-1.93,;5.47,-.59,;3.93,-.59,;3.16,-1.93,;2.25,-3.17,;.79,-2.69,;-.55,-3.47,;-1.88,-2.69,;-1.88,-1.15,;-.55,-.38,;.79,-1.15,;2.25,-.68,;1.01,.23,;1.48,1.69,;.71,3.02,;3.02,1.69,;3.79,3.02,;3.5,.23,;-3.21,-.38,;-3.21,1.15,;-4.55,1.93,;-4.55,3.47,;-5.88,1.15,;-5.88,-.38,;-4.55,-1.15,;-7.21,-1.15,;-8.55,-1.93,;3.93,-3.26,;5.47,-3.26,)|

BDBM136835

CO[C@H]1CC[C@@]2(Cc3ccc(cc3C22N=C(C)C(N)=N2)-c2cc(F)cc(c2)C#N)CC1 |r,wD:5.5,2.1,c:20,t:16,(7.88,-1.36,;7.11,-2.69,;5.57,-2.69,;4.8,-1.36,;3.26,-1.36,;2.49,-2.69,;1.59,-3.94,;.12,-3.47,;-1.21,-4.23,;-2.55,-3.47,;-2.55,-1.93,;-1.21,-1.15,;.12,-1.93,;1.59,-1.45,;.34,-.54,;.82,.92,;.05,2.25,;2.36,.92,;3.13,2.25,;2.83,-.54,;-3.88,-1.15,;-5.21,-1.93,;-6.55,-1.15,;-7.88,-1.93,;-6.55,.38,;-5.21,1.15,;-3.88,.38,;-5.21,2.69,;-5.21,4.23,;3.26,-4.03,;4.8,-4.03,)|

BDBM136839

CC1=NC2(N=C1N)c1cc(Br)ccc1CC21CC1 |c:4,t:1|

BDBM136840

CC1=NC2(N=C1N)c1cc(ccc1CC21CC1)-c1cc(Cl)cc(c1)C#N |c:4,t:1|

BDBM136842

CO[C@H]1CC[C@@]2(Cc3ccc(cc3C22N=C(C)C(N)=N2)C#N)CC1 |r,wD:5.5,2.1,c:20,t:16,(6.55,-3.04,;5.78,-1.7,;4.24,-1.7,;3.47,-.37,;1.93,-.37,;1.16,-1.7,;.25,-2.95,;-1.21,-2.47,;-2.55,-3.24,;-3.88,-2.47,;-3.88,-.93,;-2.55,-.16,;-1.21,-.93,;.25,-.46,;-.99,.45,;-.52,1.91,;-1.29,3.24,;1.02,1.91,;1.79,3.24,;1.5,.45,;-5.21,-.16,;-6.55,.61,;1.93,-3.04,;3.47,-3.04,)|

BDBM136843

COCc1cccc(c1)-c1ccc2C[C@@]3(CC[C@@H](CC3)OC)C3(N=C(C)C(N)=N3)c2c1 |r,wD:14.14,17.21,c:29,t:25,(-9.21,-.93,;-7.88,-.16,;-6.55,-.93,;-5.21,-.16,;-5.21,1.38,;-3.88,2.15,;-2.55,1.38,;-2.55,-.16,;-3.88,-.93,;-1.21,-.93,;-1.21,-2.47,;.12,-3.24,;1.45,-2.47,;2.92,-2.95,;3.82,-1.7,;4.59,-.37,;6.13,-.37,;6.9,-1.7,;6.13,-3.04,;4.59,-3.04,;8.44,-1.7,;9.21,-.37,;2.92,-.46,;1.67,.45,;2.15,1.91,;1.38,3.24,;3.69,1.91,;4.46,3.24,;4.17,.45,;1.45,-.93,;.12,-.16,)|

BDBM136844

COCc1cc(F)cc(c1)-c1ccc2C[C@@]3(CC[C@@H](CC3)OC)C3(N=C(C)C(N)=N3)c2c1 |r,wD:15.15,18.22,c:30,t:26,(-9.21,-1.15,;-7.88,-.38,;-6.55,-1.15,;-5.21,-.38,;-5.21,1.15,;-3.88,1.93,;-3.88,3.47,;-2.55,1.15,;-2.55,-.38,;-3.88,-1.15,;-1.21,-1.15,;-1.21,-2.69,;.12,-3.47,;1.45,-2.69,;2.92,-3.17,;3.82,-1.93,;4.59,-.59,;6.13,-.59,;6.9,-1.93,;6.13,-3.26,;4.59,-3.26,;8.44,-1.93,;9.21,-3.26,;2.92,-.68,;1.67,.23,;2.15,1.69,;1.38,3.02,;3.69,1.69,;4.46,3.02,;4.17,.23,;1.45,-1.15,;.12,-.38,)|

BDBM136845

CO[C@H]1CC[C@@]2(Cc3ccc(cc3C22N=C(C)C(N)=N2)-c2cncc(COCC(F)(F)F)c2)CC1 |r,wD:5.5,2.1,c:20,t:16,(10.55,-3.04,;9.78,-1.7,;8.24,-1.7,;7.47,-.37,;5.93,-.37,;5.16,-1.7,;4.25,-2.95,;2.79,-2.47,;1.45,-3.24,;.12,-2.47,;.12,-.93,;1.45,-.16,;2.79,-.93,;4.25,-.46,;3.01,.45,;3.48,1.91,;2.71,3.24,;5.02,1.91,;5.79,3.24,;5.5,.45,;-1.21,-.16,;-1.21,1.38,;-2.55,2.15,;-3.88,1.38,;-3.88,-.16,;-5.21,-.93,;-6.55,-.16,;-7.88,-.93,;-9.21,-.16,;-10.55,-.93,;-9.21,1.38,;-10.55,.61,;-2.55,-.93,;5.93,-3.04,;7.47,-3.04,)|

BDBM136846

CO[C@H]1CC[C@@]2(Cc3ccc(cc3[C@@]22N=C(C)C(N)=N2)-c2cncc(C)c2)CC1 |r,wU:13.15,wD:5.5,2.1,c:20,t:16,(7.88,-3.04,;7.11,-1.7,;5.57,-1.7,;4.8,-.37,;3.26,-.37,;2.49,-1.7,;1.59,-2.95,;.12,-2.47,;-1.21,-3.24,;-2.55,-2.47,;-2.55,-.93,;-1.21,-.16,;.12,-.93,;1.59,-.46,;.34,.45,;.82,1.91,;.05,3.24,;2.36,1.91,;3.13,3.24,;2.83,.45,;-3.88,-.16,;-3.88,1.38,;-5.21,2.15,;-6.55,1.38,;-6.55,-.16,;-7.88,-.93,;-5.21,-.93,;3.26,-3.04,;4.8,-3.04,)|

BDBM136847

CO[C@H]1CC[C@@]2(Cc3ccc(cc3[C@@]22N=C(C)C(N)=N2)-c2cncc(c2)C(F)(F)F)CC1 |r,wU:13.15,wD:5.5,2.1,c:20,t:16,(8.55,-3.04,;7.78,-1.7,;6.24,-1.7,;5.47,-.37,;3.93,-.37,;3.16,-1.7,;2.25,-2.95,;.79,-2.47,;-.55,-3.24,;-1.88,-2.47,;-1.88,-.93,;-.55,-.16,;.79,-.93,;2.25,-.46,;1.01,.45,;1.48,1.91,;.71,3.24,;3.02,1.91,;3.79,3.24,;3.5,.45,;-3.21,-.16,;-3.21,1.38,;-4.55,2.15,;-5.88,1.38,;-5.88,-.16,;-4.55,-.93,;-7.21,-.93,;-8.55,-.16,;-7.21,-2.47,;-8.55,-1.7,;3.93,-3.04,;5.47,-3.04,)|

BDBM136848

CO[C@H]1CC[C@@]2(Cc3ccc(cc3[C@@]22N=C(C)C(N)=N2)-c2cc(cc(c2)C(F)(F)F)C#N)CC1 |r,wU:13.15,wD:5.5,2.1,c:20,t:16,(8.55,-4.03,;7.78,-2.69,;6.24,-2.69,;5.47,-1.36,;3.93,-1.36,;3.16,-2.69,;2.25,-3.94,;.79,-3.47,;-.55,-4.23,;-1.88,-3.47,;-1.88,-1.93,;-.55,-1.15,;.79,-1.93,;2.25,-1.45,;1.01,-.54,;1.48,.92,;.71,2.25,;3.02,.92,;3.79,2.25,;3.5,-.54,;-3.21,-1.15,;-3.21,.38,;-4.55,1.15,;-5.88,.38,;-5.88,-1.15,;-4.55,-1.93,;-7.21,-1.93,;-8.55,-1.15,;-7.21,-3.46,;-8.55,-2.69,;-4.55,2.69,;-4.55,4.23,;3.93,-4.03,;5.47,-4.03,)|

BDBM136849

CO[C@H]1CC[C@@]2(Cc3ccc(cc3[C@@]22N=C(C)C(N)=N2)-c2cc(cc(c2)C(F)F)C#N)CC1 |r,wU:13.15,wD:5.5,2.1,c:20,t:16,(8.55,-4.03,;7.78,-2.7,;6.24,-2.7,;5.47,-1.36,;3.93,-1.36,;3.16,-2.7,;2.25,-3.94,;.79,-3.47,;-.55,-4.23,;-1.88,-3.47,;-1.88,-1.93,;-.55,-1.16,;.79,-1.93,;2.25,-1.45,;1.01,-.54,;1.48,.92,;.71,2.25,;3.02,.92,;3.79,2.25,;3.5,-.54,;-3.21,-1.16,;-3.21,.38,;-4.55,1.15,;-5.88,.38,;-5.88,-1.16,;-4.55,-1.93,;-7.21,-1.93,;-8.55,-1.16,;-7.21,-3.47,;-4.55,2.69,;-4.55,4.23,;3.93,-4.03,;5.47,-4.03,)|

BDBM136850

CO[C@H]1CC[C@@]2(Cc3ccc(cc3[C@@]22N=C(C)C(N)=N2)-c2cc(OC)c(F)c(c2)C#N)CC1 |r,wU:13.15,wD:5.5,2.1,c:20,t:16,(8.55,-4.03,;7.78,-2.7,;6.24,-2.7,;5.47,-1.36,;3.93,-1.36,;3.16,-2.7,;2.25,-3.94,;.79,-3.47,;-.55,-4.23,;-1.88,-3.47,;-1.88,-1.93,;-.55,-1.16,;.79,-1.93,;2.25,-1.45,;1.01,-.54,;1.48,.92,;.71,2.25,;3.02,.92,;3.79,2.25,;3.5,-.54,;-3.21,-1.16,;-4.55,-1.93,;-5.88,-1.16,;-7.21,-1.93,;-8.55,-1.16,;-5.88,.38,;-7.21,1.15,;-4.55,1.15,;-3.21,.38,;-4.55,2.69,;-4.55,4.23,;3.93,-4.03,;5.47,-4.03,)|

BDBM136851

CO[C@H]1CC[C@@]2(Cc3ccc(cc3[C@@]22N=C(C)C(N)=N2)-c2cc(F)cc(F)c2)CC1 |r,wU:13.15,wD:5.5,2.1,c:20,t:16,(7.88,-3.26,;7.11,-1.93,;5.57,-1.93,;4.8,-.59,;3.26,-.59,;2.49,-1.93,;1.59,-3.17,;.12,-2.7,;-1.21,-3.46,;-2.55,-2.7,;-2.55,-1.16,;-1.21,-.39,;.12,-1.16,;1.59,-.68,;.34,.23,;.82,1.69,;.05,3.02,;2.36,1.69,;3.13,3.02,;2.83,.23,;-3.88,-.39,;-5.21,-1.16,;-6.55,-.39,;-7.88,-1.16,;-6.55,1.15,;-5.21,1.92,;-5.21,3.46,;-3.88,1.15,;3.26,-3.26,;4.8,-3.26,)|

BDBM136852

CO[C@H]1CC[C@@]2(Cc3ccc(cc3[C@@]22N=C(C)C(N)=N2)-c2cccc(OC)c2F)CC1 |r,wU:13.15,wD:5.5,2.1,c:20,t:16,(8.55,-3.04,;7.78,-1.7,;6.24,-1.7,;5.47,-.37,;3.93,-.37,;3.16,-1.7,;2.25,-2.95,;.79,-2.47,;-.55,-3.24,;-1.88,-2.47,;-1.88,-.93,;-.55,-.16,;.79,-.93,;2.25,-.46,;1.01,.45,;1.48,1.91,;.71,3.24,;3.02,1.91,;3.79,3.24,;3.5,.45,;-3.21,-.16,;-3.21,1.38,;-4.55,2.15,;-5.88,1.38,;-5.88,-.16,;-7.21,-.93,;-8.55,-.16,;-4.55,-.93,;-4.55,-2.47,;3.93,-3.04,;5.47,-3.04,)|

BDBM136853

CO[C@H]1CC[C@@]2(Cc3ccc(cc3[C@@]22N=C(C)C(N)=N2)-c2ccccc2)CC1 |r,wU:13.15,wD:5.5,2.1,c:20,t:16,(7.21,-3.04,;6.44,-1.7,;4.9,-1.7,;4.13,-.37,;2.59,-.37,;1.82,-1.7,;.92,-2.95,;-.55,-2.47,;-1.88,-3.24,;-3.21,-2.47,;-3.21,-.93,;-1.88,-.16,;-.55,-.93,;.92,-.46,;-.33,.45,;.15,1.91,;-.62,3.24,;1.69,1.91,;2.46,3.24,;2.16,.45,;-4.55,-.16,;-5.88,-.93,;-7.21,-.16,;-7.21,1.38,;-5.88,2.15,;-4.55,1.38,;2.59,-3.04,;4.13,-3.04,)|

BDBM136854

CO[C@H]1CC[C@@]2(Cc3ccc(cc3C22N=C(C)C(N)=N2)-c2cc(OC)cc(c2)C#N)CC1 |r,wD:5.5,2.1,c:20,t:16,(7.88,-1.36,;7.11,-2.7,;5.57,-2.7,;4.8,-1.36,;3.26,-1.36,;2.49,-2.7,;1.59,-3.94,;.12,-3.47,;-1.21,-4.23,;-2.55,-3.47,;-2.55,-1.93,;-1.21,-1.16,;.12,-1.93,;1.59,-1.45,;.34,-.54,;.82,.92,;.05,2.25,;2.36,.92,;3.13,2.25,;2.83,-.54,;-3.88,-1.16,;-5.21,-1.93,;-6.55,-1.16,;-7.88,-1.92,;-7.88,-3.46,;-6.55,.38,;-5.21,1.15,;-3.88,.38,;-5.21,2.69,;-5.21,4.23,;3.26,-4.03,;4.8,-4.03,)|

BDBM136856

CO[C@H]1CC[C@@]2(Cc3ccc(cc3[C@]22N=C(C)C(N)=N2)-c2cc(OC)cc(c2)C#N)CC1 |r,wD:5.5,13.15,2.1,c:20,t:16,(8.55,-1.36,;7.78,-2.7,;6.24,-2.7,;5.47,-1.36,;3.93,-1.36,;3.16,-2.7,;2.25,-3.94,;.79,-3.47,;-.55,-4.23,;-1.88,-3.47,;-1.88,-1.93,;-.55,-1.16,;.79,-1.93,;2.25,-1.45,;1.01,-.54,;1.48,.92,;.71,2.25,;3.02,.92,;3.79,2.25,;3.5,-.54,;-3.21,-1.16,;-4.55,-1.93,;-5.88,-1.16,;-7.21,-1.92,;-8.55,-1.15,;-5.88,.38,;-4.55,1.15,;-3.21,.38,;-4.55,2.69,;-4.55,4.23,;3.93,-4.03,;5.47,-4.03,)|

BDBM136855

CO[C@H]1CC[C@@]2(Cc3ccc(cc3[C@@]22N=C(C)C(N)=N2)-c2cc(OC)cc(c2)C#N)CC1 |r,wU:13.15,wD:5.5,2.1,c:20,t:16,(8.55,-1.36,;7.78,-2.7,;6.24,-2.7,;5.47,-1.36,;3.93,-1.36,;3.16,-2.7,;2.25,-3.94,;.79,-3.47,;-.55,-4.23,;-1.88,-3.47,;-1.88,-1.93,;-.55,-1.16,;.79,-1.93,;2.25,-1.45,;1.01,-.54,;1.48,.92,;.71,2.25,;3.02,.92,;3.79,2.25,;3.5,-.54,;-3.21,-1.16,;-4.55,-1.93,;-5.88,-1.16,;-7.21,-1.92,;-8.55,-1.15,;-5.88,.38,;-4.55,1.15,;-3.21,.38,;-4.55,2.69,;-4.55,4.23,;3.93,-4.03,;5.47,-4.03,)|

BDBM136858

CO[C@H]1CC[C@@]2(Cc3ccc(cc3C22N=C(C)C(N)=N2)-c2cc(Br)cc(c2)C#N)CC1 |r,wD:5.5,2.1,c:20,t:16,(7.88,-1.36,;7.11,-2.7,;5.57,-2.7,;4.8,-1.36,;3.26,-1.36,;2.49,-2.7,;1.59,-3.94,;.12,-3.47,;-1.21,-4.23,;-2.55,-3.47,;-2.55,-1.93,;-1.21,-1.16,;.12,-1.93,;1.59,-1.45,;.34,-.54,;.82,.92,;.05,2.25,;2.36,.92,;3.13,2.25,;2.83,-.54,;-3.88,-1.16,;-5.21,-1.93,;-6.55,-1.16,;-7.88,-1.92,;-6.55,.38,;-5.21,1.15,;-3.88,.38,;-5.21,2.69,;-5.21,4.23,;3.26,-4.03,;4.8,-4.03,)|

BDBM136859

CCc1cc(cc(c1)-c1ccc2C[C@@]3(CC[C@@H](CC3)OC)C3(N=C(C)C(N)=N3)c2c1)C#N |r,wD:13.13,16.20,c:28,t:24,(-8.55,-1.15,;-7.21,-1.92,;-5.88,-1.16,;-5.88,.38,;-4.55,1.15,;-3.21,.38,;-3.21,-1.16,;-4.55,-1.93,;-1.88,-1.93,;-1.88,-3.47,;-.55,-4.23,;.79,-3.47,;2.25,-3.94,;3.16,-2.7,;3.93,-1.36,;5.47,-1.36,;6.24,-2.7,;5.47,-4.03,;3.93,-4.03,;7.78,-2.7,;8.55,-1.36,;2.25,-1.45,;1.01,-.54,;1.48,.92,;.71,2.25,;3.02,.92,;3.79,2.25,;3.5,-.54,;.79,-1.93,;-.55,-1.16,;-4.55,2.69,;-4.55,4.23,)|

BDBM136947

COCc1cc(cc(c1)-c1ccc2C[C@@]3(CC[C@@H](CC3)OC)C3(N=C(C)C(N)=N3)c2c1)C#N |r,wD:14.14,17.21,c:29,t:25,(-3.21,4.62,;-3.21,3.08,;-4.55,2.31,;-4.55,.77,;-5.88,,;-5.88,-1.54,;-4.55,-2.31,;-3.21,-1.54,;-3.21,,;-1.88,-2.31,;-1.88,-3.85,;-.55,-4.62,;.79,-3.85,;2.25,-4.33,;3.16,-3.08,;3.93,-1.75,;5.47,-1.75,;6.24,-3.08,;5.47,-4.41,;3.93,-4.41,;7.78,-3.08,;8.87,-1.99,;2.25,-1.83,;1.01,-.93,;1.48,.54,;.71,1.87,;3.02,.54,;3.79,1.87,;3.5,-.93,;.79,-2.31,;-.55,-1.54,;-7.21,-2.31,;-8.55,-3.08,)|

BDBM136861

CO[C@H]1CC[C@@]2(Cc3ccc(cc3[C@@]22N=C(C)C(N)=N2)-c2cc(OC)ccc2F)CC1 |r,wU:13.15,wD:5.5,2.1,c:20,t:16,(8.55,-3.04,;7.78,-1.7,;6.24,-1.7,;5.47,-.37,;3.93,-.37,;3.16,-1.7,;2.25,-2.95,;.79,-2.47,;-.55,-3.24,;-1.88,-2.47,;-1.88,-.93,;-.55,-.16,;.79,-.93,;2.25,-.46,;1.01,.45,;1.48,1.91,;.71,3.24,;3.02,1.91,;3.79,3.24,;3.5,.45,;-3.21,-.16,;-4.55,-.93,;-5.88,-.16,;-7.21,-.93,;-8.55,-.16,;-5.88,1.38,;-4.55,2.15,;-3.21,1.38,;-1.88,2.15,;3.93,-3.04,;5.47,-3.04,)|

BDBM136862

CO[C@H]1CC[C@@]2(Cc3ccc(cc3[C@@]22N=C(C)C(N)=N2)-c2cc(F)ccc2F)CC1 |r,wU:13.15,wD:5.5,2.1,c:20,t:16,(7.88,-3.04,;7.11,-1.7,;5.57,-1.7,;4.8,-.37,;3.26,-.37,;2.49,-1.7,;1.59,-2.95,;.12,-2.47,;-1.21,-3.24,;-2.55,-2.47,;-2.55,-.93,;-1.21,-.16,;.12,-.93,;1.59,-.46,;.34,.45,;.82,1.91,;.05,3.24,;2.36,1.91,;3.13,3.24,;2.83,.45,;-3.88,-.16,;-5.21,-.93,;-6.55,-.16,;-7.88,-.93,;-6.55,1.38,;-5.21,2.15,;-3.88,1.38,;-2.55,2.15,;3.26,-3.04,;4.8,-3.04,)|

BDBM136863

CO[C@H]1CC[C@@]2(Cc3ccc(cc3[C@@]22N=C(C)C(N)=N2)-c2cc(Cl)c(F)c(c2)C#N)CC1 |r,wU:13.15,wD:5.5,2.1,c:20,t:16,(7.88,-4.03,;7.11,-2.7,;5.57,-2.7,;4.8,-1.36,;3.26,-1.36,;2.49,-2.7,;1.59,-3.94,;.12,-3.47,;-1.21,-4.23,;-2.55,-3.47,;-2.55,-1.93,;-1.21,-1.16,;.12,-1.93,;1.59,-1.45,;.34,-.54,;.82,.92,;.05,2.25,;2.36,.92,;3.13,2.25,;2.83,-.54,;-3.88,-1.16,;-5.21,-1.93,;-6.55,-1.16,;-7.88,-1.92,;-6.55,.38,;-7.88,1.15,;-5.21,1.15,;-3.88,.38,;-5.21,2.69,;-5.21,4.23,;3.26,-4.03,;4.8,-4.03,)|

BDBM136864

CO[C@H]1CC[C@@]2(Cc3ccc(cc3[C@@]22N=C(C)C(N)=N2)-c2cccc(F)c2F)CC1 |r,wU:13.15,wD:5.5,2.1,c:20,t:16,(7.21,-3.26,;6.44,-1.93,;4.9,-1.93,;4.13,-.59,;2.59,-.59,;1.82,-1.93,;.92,-3.17,;-.55,-2.69,;-1.88,-3.47,;-3.21,-2.69,;-3.21,-1.15,;-1.88,-.38,;-.55,-1.15,;.92,-.68,;-.33,.23,;.15,1.69,;-.62,3.02,;1.69,1.69,;2.46,3.02,;2.16,.23,;-4.55,-.38,;-5.88,-1.15,;-7.21,-.38,;-7.21,1.15,;-5.88,1.93,;-5.88,3.47,;-4.55,1.15,;-3.21,1.93,;2.59,-3.26,;4.13,-3.26,)|

BDBM136865

CO[C@H]1CC[C@@]2(Cc3ccc(cc3[C@@]22N=C(C)C(N)=N2)-c2cc(ccc2F)C#N)CC1 |r,wU:13.15,wD:5.5,2.1,c:20,t:16,(8.55,-3.04,;7.78,-1.7,;6.24,-1.7,;5.47,-.37,;3.93,-.37,;3.16,-1.7,;2.25,-2.95,;.79,-2.47,;-.55,-3.24,;-1.88,-2.47,;-1.88,-.93,;-.55,-.16,;.79,-.93,;2.25,-.46,;1.01,.45,;1.48,1.91,;.71,3.24,;3.02,1.91,;3.79,3.24,;3.5,.45,;-3.21,-.16,;-4.55,-.93,;-5.88,-.16,;-5.88,1.38,;-4.55,2.15,;-3.21,1.38,;-1.88,2.15,;-7.21,-.93,;-8.55,-1.7,;3.93,-3.04,;5.47,-3.04,)|

BDBM136866

CO[C@H]1CC[C@@]2(Cc3ccc(cc3[C@@]22N=C(C)C(N)=N2)-c2ccc(F)cc2F)CC1 |r,wU:13.15,wD:5.5,2.1,c:20,t:16,(7.88,-3.04,;7.11,-1.7,;5.57,-1.7,;4.8,-.37,;3.26,-.37,;2.49,-1.7,;1.59,-2.95,;.12,-2.47,;-1.21,-3.24,;-2.55,-2.47,;-2.55,-.93,;-1.21,-.16,;.12,-.93,;1.59,-.46,;.34,.45,;.82,1.91,;.05,3.24,;2.36,1.91,;3.13,3.24,;2.83,.45,;-3.88,-.16,;-3.88,1.38,;-5.21,2.15,;-6.55,1.38,;-7.88,2.15,;-6.55,-.16,;-5.21,-.93,;-5.21,-2.47,;3.26,-3.04,;4.8,-3.04,)|

BDBM136867

CO[C@H]1CC[C@@]2(Cc3ccc(cc3[C@@]22N=C(C)C(N)=N2)-c2cccc(Cl)c2Cl)CC1 |r,wU:13.15,wD:5.5,2.1,c:20,t:16,(7.21,-3.26,;6.44,-1.93,;4.9,-1.93,;4.13,-.59,;2.59,-.59,;1.82,-1.93,;.92,-3.17,;-.55,-2.69,;-1.88,-3.47,;-3.21,-2.69,;-3.21,-1.15,;-1.88,-.38,;-.55,-1.15,;.92,-.68,;-.33,.23,;.15,1.69,;-.62,3.02,;1.69,1.69,;2.46,3.02,;2.16,.23,;-4.55,-.38,;-5.88,-1.15,;-7.21,-.38,;-7.21,1.15,;-5.88,1.93,;-5.88,3.47,;-4.55,1.15,;-3.21,1.93,;2.59,-3.26,;4.13,-3.26,)|

BDBM369598

CC1=NC2(N=C1N)c1cc(ccc1C[C@@]21CC[C@@H](CC1)OC(F)F)-c1cc(F)cc(c1)C#N |r,wD:14.15,17.23,c:4,t:1,(-.06,3.59,;.71,2.25,;.24,.79,;1.48,-.12,;2.73,.79,;2.25,2.25,;3.02,3.59,;.02,-.59,;-1.32,.18,;-2.65,-.59,;-2.65,-2.13,;-1.32,-2.9,;.02,-2.13,;1.48,-2.61,;2.39,-1.36,;3.16,-.03,;4.7,-.03,;5.47,-1.36,;4.7,-2.69,;3.16,-2.69,;7.01,-1.36,;7.78,-2.69,;9.32,-2.69,;7.01,-4.03,;-3.98,.18,;-3.98,1.72,;-5.32,2.49,;-5.32,4.03,;-6.65,1.72,;-6.65,.18,;-5.32,-.59,;-7.98,-.59,;-9.32,-1.36,)|

BDBM369599

COc1cc(cc(c1)-c1ccc2C[C@@]3(CC[C@@H](CC3)OC(F)F)C3(N=C(C)C(N)=N3)c2c1)C#N |r,wD:13.13,16.20,c:30,t:26,(-3.98,4.41,;-5.32,3.64,;-5.32,2.1,;-6.65,1.33,;-6.65,-.21,;-5.32,-.98,;-3.98,-.21,;-3.98,1.33,;-2.65,-.98,;-2.65,-2.52,;-1.32,-3.29,;.02,-2.52,;1.48,-2.99,;2.39,-1.75,;3.16,-.41,;4.7,-.41,;5.47,-1.75,;4.7,-3.08,;3.16,-3.08,;7.01,-1.75,;7.78,-3.08,;9.32,-3.08,;7.01,-4.41,;1.48,-.5,;.24,.4,;.71,1.87,;-.06,3.2,;2.25,1.87,;3.02,3.2,;2.73,.4,;.02,-.98,;-1.32,-.21,;-7.98,-.98,;-9.32,-1.75,)|

BDBM136870

CC1=NC2(N=C1N)c1cc(ccc1C[C@@]21CC[C@@H](CC1)OC(F)F)-c1cncc(c1)C(F)(F)F |r,wD:14.15,17.23,c:4,t:1,(-.06,3.81,;.71,2.47,;.24,1.01,;1.48,.1,;2.73,1.01,;2.25,2.47,;3.02,3.81,;.02,-.37,;-1.32,.4,;-2.65,-.37,;-2.65,-1.91,;-1.32,-2.68,;.02,-1.91,;1.48,-2.39,;2.39,-1.14,;3.16,.19,;4.7,.19,;5.47,-1.14,;4.7,-2.47,;3.16,-2.47,;7.01,-1.14,;7.78,-2.47,;9.32,-2.47,;7.01,-3.81,;-3.98,.4,;-3.98,1.94,;-5.32,2.71,;-6.65,1.94,;-6.65,.4,;-5.32,-.37,;-7.98,-.37,;-9.32,.4,;-8.75,.96,;-7.98,-1.91,)|

BDBM136871

CC1=NC2(N=C1N)c1cc(ccc1C[C@@]21CC[C@@H](CC1)OC(F)F)-c1cc(Cl)cc(c1)C#N |r,wD:14.15,17.23,c:4,t:1,(-.06,3.59,;.71,2.25,;.24,.79,;1.48,-.12,;2.73,.79,;2.25,2.25,;3.02,3.59,;.02,-.59,;-1.32,.18,;-2.65,-.59,;-2.65,-2.13,;-1.32,-2.9,;.02,-2.13,;1.48,-2.61,;2.39,-1.36,;3.16,-.03,;4.7,-.03,;5.47,-1.36,;4.7,-2.69,;3.16,-2.69,;7.01,-1.36,;7.78,-2.69,;9.32,-2.69,;7.01,-4.03,;-3.98,.18,;-3.98,1.72,;-5.32,2.49,;-5.32,4.03,;-6.65,1.72,;-6.65,.18,;-5.32,-.59,;-7.98,-.59,;-9.32,-1.36,)|

BDBM136872

CC1=NC2(N=C1N)c1cc(ccc1C[C@@]21CC[C@@H](CC1)OC(F)F)-c1cc(F)cc(F)c1 |r,wD:14.15,17.23,c:4,t:1,(-.72,3.59,;.05,2.25,;-.43,.79,;.82,-.12,;2.06,.79,;1.59,2.25,;2.36,3.59,;-.65,-.59,;-1.98,.18,;-3.32,-.59,;-3.32,-2.13,;-1.98,-2.9,;-.65,-2.13,;.82,-2.61,;1.72,-1.36,;2.49,-.03,;4.03,-.03,;4.8,-1.36,;4.03,-2.69,;2.49,-2.69,;6.34,-1.36,;7.11,-2.69,;8.65,-2.69,;6.34,-4.03,;-4.65,.18,;-4.65,1.72,;-5.98,2.49,;-5.98,4.03,;-7.32,1.72,;-7.32,.18,;-8.65,-.59,;-5.98,-.59,)|

BDBM136873

COc1cc(cc(C#N)c1F)-c1ccc2C[C@@]3(CC[C@@H](CC3)OC(F)F)C3(N=C(C)C(N)=N3)c2c1 |r,wD:16.16,19.23,c:33,t:29,(-9.32,-.59,;-7.98,-1.36,;-6.65,-.59,;-5.32,-1.36,;-3.98,-.59,;-3.98,.95,;-5.32,1.72,;-5.32,3.26,;-5.32,4.8,;-6.65,.95,;-7.98,1.72,;-2.65,-1.36,;-2.65,-2.9,;-1.32,-3.67,;.02,-2.9,;1.48,-3.38,;2.39,-2.13,;3.16,-.8,;4.7,-.8,;5.47,-2.13,;4.7,-3.47,;3.16,-3.47,;7.01,-2.13,;7.78,-3.47,;9.32,-3.46,;7.01,-4.8,;1.48,-.89,;.24,.02,;.71,1.48,;-.06,2.82,;2.25,1.48,;3.02,2.82,;2.73,.02,;.02,-1.36,;-1.32,-.59,)|

BDBM136878

CO[C@]1(C)CC[C@]2(Cc3ccc(cc3C22N=C(C)C(N)=N2)-c2cncc(c2)C#CC)CC1 |r,wU:2.2,wD:6.6,2.1,c:21,t:17,(7,-1.58,;6.6,-3.07,;5.12,-3.47,;6.2,-4.55,;4.35,-4.8,;2.81,-4.8,;2.04,-3.47,;1.13,-4.71,;-.33,-4.23,;-1.67,-5,;-3,-4.23,;-3,-2.69,;-1.67,-1.93,;-.33,-2.69,;1.13,-2.22,;-.11,-1.31,;.36,.15,;-.41,1.48,;1.9,.15,;2.67,1.48,;2.38,-1.31,;-4.33,-1.93,;-5.67,-2.69,;-7,-1.93,;-7,-.38,;-5.67,.38,;-4.33,-.38,;-5.67,1.93,;-5.67,3.47,;-5.67,5,;2.81,-2.13,;4.35,-2.13,)|

BDBM136879

CO[C@H]1CC[C@@]2(Cc3ccc(cc3C22N=C(C)C(N)=N2)C#CC2CCC2)CC1 |r,wD:5.5,2.1,c:20,t:16,(8.16,-3.04,;7.39,-1.7,;5.85,-1.7,;5.08,-.37,;3.54,-.37,;2.77,-1.7,;1.86,-2.95,;.4,-2.47,;-.94,-3.24,;-2.27,-2.47,;-2.27,-.93,;-.94,-.16,;.4,-.93,;1.86,-.46,;.62,.45,;1.09,1.91,;.32,3.24,;2.63,1.91,;3.4,3.24,;3.11,.45,;-3.6,-.16,;-4.94,.61,;-6.27,1.38,;-6.67,2.86,;-8.16,2.46,;-7.76,.98,;3.54,-3.04,;5.08,-3.04,)|

BDBM136880

CO[C@H]1CC[C@@]2(Cc3ccc(cc3C22N=C(C)C(N)=N2)C#CC(C)C)CC1 |r,wD:5.5,2.1,c:20,t:16,(7.88,-3.04,;7.11,-1.7,;5.57,-1.7,;4.8,-.37,;3.26,-.37,;2.49,-1.7,;1.59,-2.95,;.12,-2.47,;-1.21,-3.24,;-2.55,-2.47,;-2.55,-.93,;-1.21,-.16,;.12,-.93,;1.59,-.46,;.34,.45,;.82,1.91,;.05,3.24,;2.36,1.91,;3.13,3.24,;2.83,.45,;-3.88,-.16,;-5.21,.61,;-6.55,1.38,;-7.88,.61,;-6.95,2.86,;3.26,-3.04,;4.8,-3.04,)|

BDBM41537

CO[C@H]1CC[C@@]2(Cc3ccc(cc3[C@@]22N=C(C)C(N)=N2)-c2cncc(c2)C#CC)CC1 |r,wU:13.15,wD:5.5,2.1,c:20,t:16,(7.78,-3.08,;7.01,-1.75,;5.47,-1.75,;4.7,-.41,;3.16,-.41,;2.39,-1.75,;1.48,-2.99,;.02,-2.52,;-1.32,-3.29,;-2.65,-2.52,;-2.65,-.98,;-1.32,-.21,;.02,-.98,;1.48,-.5,;.24,.4,;.71,1.87,;-.06,3.2,;2.25,1.87,;3.02,3.2,;2.73,.4,;-3.98,-.21,;-3.98,1.33,;-5.32,2.1,;-6.65,1.33,;-6.65,-.21,;-5.32,-.98,;-7.98,-.98,;-9.32,-1.75,;-10.65,-2.52,;3.16,-3.08,;4.7,-3.08,)|

BDBM136887

CC1=NC2(N=C1N)c1cc(ccc1CC21CCC(=O)CC1)-c1cc(F)cc(c1)C#N |c:4,t:1|

BDBM136888

CO[C@H]1CC[C@@]2(Cc3ccc(cc3C22N=C(C)C(N)=N2)-c2cnc3[nH]cc(C)c3c2)CC1 |r,wD:5.5,2.1,c:20,t:16,(8.4,-.37,;7.63,-1.7,;6.09,-1.7,;5.32,-.37,;3.78,-.37,;3.01,-1.7,;2.1,-2.95,;.64,-2.47,;-.69,-3.24,;-2.03,-2.47,;-2.03,-.93,;-.69,-.16,;.64,-.93,;2.1,-.46,;.86,.45,;1.33,1.91,;.56,3.24,;2.87,1.91,;3.64,3.24,;3.35,.45,;-3.36,-.16,;-3.36,1.38,;-4.7,2.15,;-6.03,1.38,;-7.49,1.85,;-8.4,.61,;-7.49,-.64,;-8.26,-1.97,;-6.03,-.16,;-4.7,-.93,;3.78,-3.04,;5.32,-3.04,)|

BDBM136724

CO[C@H]1CC[C@@]2(Cc3ccc(Br)cc3C22N=C(C)C(N)=N2)CC1 |r,wD:5.5,2.1,c:21,t:17,(5.88,-3.04,;5.11,-1.7,;3.57,-1.7,;2.8,-.37,;1.26,-.37,;.49,-1.7,;-.41,-2.95,;-1.88,-2.47,;-3.21,-3.24,;-4.55,-2.47,;-4.55,-.93,;-5.88,-.16,;-3.21,-.16,;-1.88,-.93,;-.41,-.46,;-1.66,.45,;-1.18,1.91,;-1.95,3.24,;.36,1.91,;1.13,3.24,;.83,.45,;1.26,-3.04,;2.8,-3.04,)|

BDBM136889

CO[C@H]1CC[C@@]2(Cc3ccc(cc3C22N=C(C)C(N)=N2)-c2cncc(c2)C(F)F)CC1 |r,wD:5.5,2.1,c:20,t:16,(8.55,-3.04,;7.78,-1.7,;6.24,-1.7,;5.47,-.37,;3.93,-.37,;3.16,-1.7,;2.25,-2.95,;.79,-2.47,;-.55,-3.24,;-1.88,-2.47,;-1.88,-.93,;-.55,-.16,;.79,-.93,;2.25,-.46,;1.01,.45,;1.48,1.91,;.71,3.24,;3.02,1.91,;3.79,3.24,;3.5,.45,;-3.21,-.16,;-3.21,1.38,;-4.55,2.15,;-5.88,1.38,;-5.88,-.16,;-4.55,-.93,;-7.21,-.93,;-8.55,-.16,;-7.21,-2.47,;3.93,-3.04,;5.47,-3.04,)|

BDBM136890

CO[C@H]1CC[C@@]2(Cc3ccc(cc3C22N=C(C)C(N)=N2)-c2ccc3[nH]cc(C)c3c2)CC1 |r,wD:5.5,2.1,c:20,t:16,(8.4,-.37,;7.63,-1.7,;6.09,-1.7,;5.32,-.37,;3.78,-.37,;3.01,-1.7,;2.1,-2.95,;.64,-2.47,;-.69,-3.24,;-2.03,-2.47,;-2.03,-.93,;-.69,-.16,;.64,-.93,;2.1,-.46,;.86,.45,;1.33,1.91,;.56,3.24,;2.87,1.91,;3.64,3.24,;3.35,.45,;-3.36,-.16,;-3.36,1.38,;-4.7,2.15,;-6.03,1.38,;-7.49,1.85,;-8.4,.61,;-7.49,-.64,;-8.26,-1.97,;-6.03,-.16,;-4.7,-.93,;3.78,-3.04,;5.32,-3.04,)|

BDBM136891

CO[C@H]1CC[C@@]2(Cc3ccc(cc3C22N=C(C)C(N)=N2)-c2cccc(C#CC)c2Cl)CC1 |r,wD:5.5,2.1,c:20,t:16,(7.21,-2.13,;6.44,-3.47,;4.9,-3.47,;4.13,-2.13,;2.59,-2.13,;1.82,-3.47,;.92,-4.71,;-.55,-4.24,;-1.88,-5,;-3.21,-4.24,;-3.21,-2.7,;-1.88,-1.93,;-.55,-2.7,;.92,-2.22,;-.33,-1.31,;.15,.15,;-.62,1.48,;1.69,.15,;2.46,1.48,;2.16,-1.31,;-4.55,-1.93,;-5.88,-2.7,;-7.21,-1.93,;-7.21,-.39,;-5.88,.38,;-5.88,1.92,;-5.88,3.46,;-5.88,5,;-4.55,-.39,;-3.21,.39,;2.59,-4.8,;4.13,-4.8,)|

BDBM136894

CC1=NC2(N=C1N)c1cc(Br)ccc1CC21CCC(CC1)C(F)(F)F |c:4,t:1|

BDBM136898

CO[C@H]1CC[C@@]2(Cc3ccc(OCC4CCC4)cc3C22N=C(C)C(N)=N2)CC1 |r,wD:5.5,2.1,c:27,t:23,(7.49,-3.23,;6.72,-1.9,;5.18,-1.9,;4.41,-.57,;2.87,-.57,;2.1,-1.9,;1.2,-3.14,;-.27,-2.67,;-1.6,-3.44,;-2.94,-2.67,;-2.94,-1.13,;-4.27,-.36,;-4.27,1.18,;-5.6,1.95,;-6,3.44,;-7.49,3.04,;-7.09,1.55,;-1.6,-.36,;-.27,-1.13,;1.2,-.65,;-.05,.25,;.43,1.72,;-.34,3.05,;1.97,1.72,;2.74,3.05,;2.44,.25,;2.87,-3.23,;4.41,-3.23,)|

BDBM136899

COCc1cc(cc(C#N)c1F)-c1ccc2C[C@@]3(CC[C@@H](CC3)OC)C3(N=C(C)C(N)=N3)c2c1 |r,wD:17.17,20.24,c:32,t:28,(-8.55,-4.23,;-7.21,-3.47,;-7.21,-1.93,;-5.88,-1.15,;-4.55,-1.93,;-3.21,-1.15,;-3.21,.38,;-4.55,1.21,;-4.55,2.75,;-4.55,4.29,;-5.88,.38,;-7.21,1.15,;-1.88,-1.93,;-1.88,-3.47,;-.55,-4.23,;.79,-3.47,;2.25,-3.94,;3.16,-2.69,;3.93,-1.36,;5.47,-1.36,;6.24,-2.69,;5.47,-4.03,;3.93,-4.03,;7.78,-2.69,;8.55,-4.03,;2.25,-1.45,;1.01,-.54,;1.48,.92,;.71,2.25,;3.02,.92,;3.79,2.25,;3.5,-.54,;.79,-1.93,;-.55,-1.15,)|

BDBM136903

CC1=NC2(N=C1N)c1cc(Br)ccc1CC21CCC(CC1)C(F)F |c:4,t:1,(-1.27,3.88,;-.5,2.54,;-1.4,1.3,;-.5,.05,;.97,.53,;.97,2.07,;2.3,2.84,;-1.96,-.42,;-3.29,.35,;-4.63,-.42,;-5.96,.35,;-4.63,-1.96,;-3.29,-2.73,;-1.96,-1.96,;-.5,-2.44,;.41,-1.19,;.81,-2.68,;2.3,-3.08,;3.38,-1.99,;2.99,-.5,;1.5,-.11,;4.87,-2.39,;5.27,-3.88,;5.96,-1.3,)|

BDBM136904

CC1=NC2(N=C1N)c1cc(ccc1CC21CCC(CC1)C(F)F)-c1cncc(Cl)c1 |c:4,t:1,(.07,3.72,;.84,2.38,;-.07,1.14,;.84,-.11,;2.3,.37,;2.3,1.91,;3.64,2.68,;-.63,-.58,;-1.96,.19,;-3.29,-.58,;-3.29,-2.12,;-1.96,-2.89,;-.63,-2.12,;.84,-2.6,;1.74,-1.35,;2.14,-2.84,;3.63,-3.24,;4.72,-2.15,;4.32,-.66,;2.83,-.26,;6.21,-2.55,;6.6,-4.04,;7.29,-1.46,;-4.63,.19,;-5.96,-.58,;-7.29,.19,;-7.29,1.73,;-5.96,2.5,;-5.96,4.04,;-4.63,1.73,)|

BDBM136908

CCO[C@H]1CC[C@@]2(Cc3ccc(Br)cc3C22N=C(C)C(N)=N2)CC1 |r,wD:6.6,3.2,c:22,t:18,(6.65,-3.04,;5.11,-3.04,;4.34,-1.7,;2.8,-1.7,;2.03,-.37,;.49,-.37,;-.28,-1.7,;-1.18,-2.95,;-2.65,-2.47,;-3.98,-3.24,;-5.32,-2.47,;-5.32,-.93,;-6.65,-.16,;-3.98,-.16,;-2.65,-.93,;-1.18,-.46,;-2.43,.45,;-1.95,1.91,;-2.72,3.24,;-.41,1.91,;.36,3.24,;.06,.45,;.49,-3.04,;2.03,-3.04,)|

BDBM136909

CCO[C@H]1CC[C@@]2(Cc3ccc(cc3C22N=C(C)C(N)=N2)-c2cncc(c2)C(F)(F)F)CC1 |r,wD:6.6,3.2,c:21,t:17,(7.98,-4.03,;6.44,-4.03,;5.67,-2.7,;4.13,-2.7,;3.36,-1.36,;1.82,-1.36,;1.05,-2.7,;.15,-3.94,;-1.32,-3.47,;-2.65,-4.24,;-3.98,-3.47,;-3.98,-1.93,;-2.65,-1.16,;-1.32,-1.93,;.15,-1.45,;-.76,-.2,;.15,1.04,;-.62,2.38,;1.61,.57,;2.95,1.34,;1.61,-.97,;-5.32,-1.16,;-6.65,-1.93,;-7.98,-1.16,;-7.98,.38,;-6.65,1.16,;-5.32,.38,;-6.65,2.7,;-7.98,3.47,;-5.32,3.47,;-6.65,4.24,;1.82,-4.03,;3.36,-4.03,)|

BDBM136910

CCO[C@H]1CC[C@@]2(Cc3ccc(cc3C22N=C(C)C(N)=N2)-c2cc(F)cc(c2)C#N)CC1 |r,wD:6.6,3.2,c:21,t:17,(8.55,-3.26,;7.21,-4.03,;6.44,-2.7,;4.9,-2.7,;4.13,-1.36,;2.59,-1.36,;1.82,-2.7,;.92,-3.94,;-.55,-3.47,;-1.88,-4.24,;-3.21,-3.47,;-3.21,-1.93,;-1.88,-1.16,;-.55,-1.93,;.92,-1.45,;.01,-.2,;.92,1.04,;.15,2.38,;2.38,.57,;3.72,1.34,;2.38,-.97,;-4.55,-1.16,;-5.88,-1.93,;-7.21,-1.16,;-8.55,-1.93,;-7.21,.38,;-5.88,1.16,;-4.55,.38,;-5.88,2.7,;-5.88,4.24,;2.59,-4.03,;4.13,-4.03,)|

BDBM136911

CCO[C@H]1CC[C@@]2(Cc3ccc(cc3C22N=C(C)C(N)=N2)-c2cncc(Cl)c2)CC1 |r,wD:6.6,3.2,c:21,t:17,(7.98,-3.26,;6.44,-3.26,;5.67,-1.93,;4.13,-1.93,;3.36,-.59,;1.82,-.59,;1.05,-1.93,;.15,-3.17,;-1.32,-2.7,;-2.65,-3.47,;-3.98,-2.7,;-3.98,-1.16,;-2.65,-.39,;-1.32,-1.16,;.15,-.68,;-.76,.57,;.15,1.81,;-.62,3.15,;1.61,1.34,;2.95,2.11,;1.61,-.2,;-5.32,-.39,;-6.65,-1.16,;-7.98,-.39,;-7.98,1.15,;-6.65,1.93,;-6.65,3.47,;-5.32,1.15,;1.82,-3.26,;3.36,-3.26,)|

BDBM136912

CCO[C@H]1CC[C@@]2(Cc3ccc(cc3C22N=C(C)C(N)=N2)-c2cc(cc(c2)C(F)F)C#N)CC1 |r,wD:6.6,3.2,c:21,t:17,(9.32,-3.64,;7.78,-3.64,;7.01,-2.31,;5.47,-2.31,;4.7,-.98,;3.16,-.98,;2.39,-2.31,;1.48,-3.56,;.02,-3.08,;-1.32,-3.85,;-2.65,-3.08,;-2.65,-1.54,;-1.32,-.77,;.02,-1.54,;1.48,-1.06,;.24,-.16,;.71,1.31,;-.06,2.64,;2.25,1.31,;3.02,2.64,;2.73,-.16,;-3.98,-.77,;-5.32,-1.54,;-6.65,-.77,;-6.65,.77,;-5.32,1.54,;-3.98,.77,;-5.32,3.08,;-6.65,3.85,;-3.98,3.85,;-7.98,-1.54,;-9.32,-2.31,;3.16,-3.64,;4.7,-3.64,)|

BDBM136913

CCO[C@H]1CC[C@@]2(Cc3ccc(cc3C22N=C(C)C(N)=N2)-c2cncc(c2)C#CC)CC1 |r,wD:6.6,3.2,c:21,t:17,(7.98,-4.8,;6.44,-4.8,;5.67,-3.47,;4.13,-3.47,;3.36,-2.13,;1.82,-2.13,;1.05,-3.47,;.15,-4.71,;-1.32,-4.24,;-2.65,-5.01,;-3.98,-4.24,;-3.98,-2.7,;-2.65,-1.93,;-1.32,-2.7,;.15,-2.22,;-.76,-.97,;.15,.27,;-.62,1.61,;1.61,-.2,;2.95,.57,;1.61,-1.74,;-5.32,-1.93,;-6.65,-2.7,;-7.98,-1.93,;-7.98,-.39,;-6.65,.39,;-5.32,-.39,;-6.65,1.93,;-6.65,3.47,;-6.65,5.01,;1.82,-4.8,;3.36,-4.8,)|

BDBM376718

CC1=N[C@@]2(CC(Oc3ccc(cc23)-c2cccc(Cl)c2)[C@H]2CCOC(C)(C)C2)N=C1N |r,c:32,t:1|

BDBM136813

CC1=NC2(CCCc3ccc(cc23)-c2cncc(Cl)c2)N=C1N |c:23,t:1|

BDBM136814

CC#Cc1cncc(c1)-c1ccc2CCCC3(N=C(C)C(N)=N3)c2c1 |c:22,t:18|