smile	binding.affinity
[H]N1C(=O)C([H])=C(C2=C1C(F)=C(F)C([H])=C2[H])C([H])([H])N(C(=O)C1=C(N=C([H])S1)C([H])([H])[H])C1=C([H])C([H])=C([H])C(Cl)=C1[H]	3000
[H]N1C(=O)C([H])=C(C2=C([H])C([H])=C(F)C(F)=C12)C([H])([H])N(C(=O)C1=C([H])N=C([H])C([H])=C1C([H])([H])[H])C1=C([H])C([H])=C([H])C(Cl)=C1[H]	2500
[H]N1C(=O)C([H])=C(C2=C([H])C([H])=C(F)C(F)=C12)C([H])([H])N(C(=O)C1=C([H])N=C([H])N1C([H])([H])[H])C1=C([H])C([H])=C([H])C(Cl)=C1[H]	420
[H]N1C(=O)C([H])=C(C2=C([H])C([H])=C(F)C(F)=C12)C([H])([H])N(C(=O)C1=C(ON=C1C([H])([H])[H])C([H])([H])[H])C1=C([H])C([H])=C([H])C(Cl)=C1[H]	1200
[H]N1C(=O)C([H])=C(C2=C1C(F)=C([H])C([H])=C2[H])C([H])([H])N(C(=O)C1=C([H])N=C([H])N1C([H])([H])[H])C1=C([H])C([H])=C([H])C(Cl)=C1[H]	6100
[H]N1C(=O)C([H])=C(C2=C1C(F)=C([H])C([H])=C2[H])C([H])([H])N(C(=O)C1=C(ON=C1C([H])([H])[H])C([H])([H])[H])C1=C([H])C([H])=C([H])C(Cl)=C1[H]	6800
[H]N([H])C1=NC([H])([H])C([H])([H])C([H])([H])S1	7100
[H]OC(=O)[C@@]([H])(N([H])[H])C([H])([H])C([H])([H])C([H])([H])N(C(=N[H])N([H])[H])[N+]([O-])=O	500
[H]N([H])C1=NC([H])([H])C([H])([H])C([H])([H])O1	8200
[H]N([H])C1=NC([H])([H])C([H])([H])C([H])([H])C1([H])[H]	4700
[H]N=C(SC([H])([H])C([H])([H])[H])N([H])C1=C([H])C(OC([H])([H])[H])=C([H])C([H])=C1[H]	3100
[H]N=C(SC([H])([H])C([H])([H])[H])N([H])C1=C([H])C([H])=C(C([H])=C1[H])C([H])([H])[H]	1000
[H]N=C(SC([H])([H])C([H])([H])[H])N([H])C1=C([H])C([H])=C(OC([H])([H])[H])C([H])=C1[H]	2700
[H]N=C(SC([H])([H])C([H])([H])[H])N([H])C1=C(OC([H])([H])[H])C([H])=C([H])C([H])=C1[H]	1600
[H]N=C(SC([H])([H])C([H])([H])[H])N([H])C1=C([H])C([H])=C(C([H])=C1[H])C([H])(C([H])([H])[H])C([H])([H])[H]	7700
[H]N=C(SC([H])([H])[H])N([H])C1=C([H])C([H])=C(Cl)C([H])=C1[H]	2600
[H]N=C(SC([H])([H])C([H])([H])[H])N([H])C1=C([H])C([H])=C(C([H])=C1[H])[N+]([O-])=O	9100
[H]N=C(SC([H])([H])C([H])([H])[H])N([H])C1=C(C([H])=C([H])C([H])=C1[H])C([H])(C([H])([H])[H])C([H])([H])[H]	6500
[H]N=C(SC([H])([H])C([H])([H])[H])N([H])C1=C([H])C([H])=C(OC2=C([H])C([H])=C([H])C([H])=C2[H])C([H])=C1[H]	4000
[H]N=C(SC([H])([H])C([H])([H])[H])N([H])C1=C([H])C([H])=C(C([H])=C1[H])N(C([H])([H])[H])C([H])([H])[H]	9000
[H]N=C(SC([H])([H])C([H])([H])[H])N([H])C1=C([H])C([H])=C(C([H])=C1[H])C(F)(F)F	9400
[H]N=C(SC([H])([H])C([H])([H])[H])N([H])C1=C(Cl)C([H])=C([H])C([H])=C1[H]	1800
[H]OC1=C([H])C([H])=C(N([H])C(=N[H])SC([H])([H])C([H])([H])[H])C([H])=C1[H]	2700
[H]N=C(SC([H])([H])C([H])([H])[H])N([H])C1=C([H])C(Cl)=C([H])C([H])=C1[H]	1800
[H]N=C(SC([H])([H])C([H])([H])[H])N([H])C1=C(Br)C([H])=C([H])C([H])=C1[H]	2000
[H]N=C(SC([H])([H])C([H])([H])[H])N([H])C1=C([H])C([H])=C([H])N=C1[H]	7000
[H]N=C(SC([H])([H])C([H])([H])[H])N([H])C1=C([H])C([H])=C(Cl)C([H])=C1[H]	900
[H]N=C(SC([H])([H])C([H])([H])[H])N([H])C1=C([H])C([H])=C(OC([H])([H])C2=C([H])C([H])=C([H])C([H])=C2[H])C([H])=C1[H]	2800
[H]N=C(SC([H])([H])C([H])([H])[H])N([H])C1=C([H])C([H])=C([H])C([H])=C1[H]	400
[H]N=C(SC([H])([H])C([H])([H])F)N([H])[H]	1260
[H]N=C(SC([H])([H])C([H])([H])[H])N([H])[H]	1300
[H]OC(=O)[C@@]([H])(N([H])[H])C([H])([H])C([H])([H])C([H])([H])N([H])C(=N\C([H])([H])[H])\N([H])[H]	525
[H]N=C(SC([H])([H])[H])N([H])[H]	7000
[H]N=C(N([H])C1=C([H])C([H])=C(C([H])=C1[H])S(=O)(=O)N([H])[H])C([H])([H])[H]	8000
[H]N=C(N([H])C1=C([H])C([H])=C(C([H])=C1[H])C([H])([H])N([H])C(=N[H])C([H])([H])[H])C([H])([H])[H]	9500
[H]N=C(N([H])C1=C([H])C(=C([H])C([H])=C1[H])C([H])([H])N([H])[H])C([H])([H])SC([H])([H])[H]	320
[H]N=C(N([H])C1=C([H])C(=C([H])C([H])=C1[H])C([H])([H])N([H])[H])C1=C([H])C([H])=C([H])O1	350
[H]OC(=O)[C@@]([H])(N([H])[H])C([H])([H])C([H])([H])C([H])([H])N([H])C(=N[H])N([H])[N+]([O-])=O	265
[H]OC([H])([H])C1=C([H])C([H])=C([H])C(\N=C(/N([H])[H])C([H])([H])F)=C1[H]	3800
[H]N([H])C1=N[C@]([H])(C([H])([H])C([H])([H])[H])[C@@]([H])(C([H])([H])[H])C1([H])[H]	1060
[H]N([H])C1=NC([H])([H])C([H])([H])[C@]1([H])C([H])([H])[H]	5450
[H]N([H])C1=NC([H])([H])[C@@]([H])(C([H])([H])[H])C1([H])[H]	8400
[H]N=C(N([H])C1=C([H])C(=C([H])C([H])=C1[H])C([H])([H])N([H])[H])C1=C([H])C([H])=C([H])S1	400
[H]N=C(N([H])C1=C([H])C([H])=C(C([H])=C1[H])C([H])([H])N([H])C([H])([H])[H])C([H])([H])[H]	1900
[H]N=C(N([H])C1=C([H])C([H])=C(C([H])=C1[H])C([H])([H])N(C([H])([H])[H])C([H])([H])[H])C([H])([H])[H]	9100
[H]N=C(N([H])C1=C([H])C([H])=C(N([H])N([H])[H])C([H])=C1[H])C([H])([H])[H]	7900
[H]N=C(N([H])C1=C([H])C(=C([H])C([H])=C1[H])C([H])([H])N([H])[H])C([H])([H])F	1100
[H]N=C(N([H])C1=C([H])C([H])=C(C([H])=C1[H])C([H])([H])N([H])[H])C([H])([H])[H]	6200
[H]N=C(N([H])C1=C([H])C([H])=C(C([H])=C1[H])C([H])([H])N([H])C([H])([H])C1=C([H])C([H])=C([H])C(=C1[H])C(=N[H])C([H])([H])[H])C([H])([H])[H]	3000
[H]N([H])C1=N[C@@]([H])(C([H])([H])[H])C([H])([H])C([H])([H])C1([H])[H]	600
[H]N([H])C1=NC([H])([H])C([H])([H])[C@]([H])(C([H])([H])[H])C1([H])[H]	220
[H]N([H])C1=N[C@@]([H])(C([H])([H])C([H])([H])C1([H])[H])C(F)(F)F	2000
[H]N([H])C1=N[C@]([H])(C([H])([H])C([H])([H])C([H])([H])[H])C([H])([H])C([H])([H])C1([H])[H]	2200
[H]N([H])C1=N[C@]([H])(C([H])([H])[H])C([H])([H])[C@]([H])(C([H])([H])[H])C1([H])[H]	300
[H]N([H])C1=NC([H])([H])C([H])([H])C(C([H])([H])[H])(C([H])([H])[H])C1([H])[H]	5300
[H]N([H])C1=NC([H])([H])C([H])([H])C([H])([H])[C@@]1([H])C([H])([H])[H]	3000
[H]N([H])C1=C([H])C([H])=C([H])C(=N1)C1=C([H])C([H])=C(C([H])=C1[H])C([H])([H])C([H])([H])N1C([H])([H])C([H])([H])N(C(=O)C([H])([H])C2=C([H])C([H])=C([H])C([H])=C2[H])C([H])([H])C1([H])[H]	685
[H]N([H])C1=C([H])C([H])=C([H])C(=N1)C1=C([H])C([H])=C(C([H])=C1[H])C([H])([H])C([H])([H])N1C([H])([H])C([H])([H])N(C([H])([H])C([H])(C([H])([H])[H])C([H])([H])[H])C([H])([H])C1([H])[H]	372
[H]N([H])C1=C([H])C([H])=C([H])C(=N1)C1=C([H])C([H])=C(C([H])=C1[H])C([H])([H])C([H])([H])N1C([H])([H])C([H])([H])N(C([H])([H])C([H])([H])C2=C([H])C([H])=C([H])C([H])=C2[H])C([H])([H])C1([H])[H]	448
[H]N([H])C1=C([H])C([H])=C([H])C(=N1)C1=C([H])C([H])=C(C([H])=C1[H])C([H])([H])C([H])([H])N1C([H])([H])C([H])([H])N(C2=C([H])C([H])=C([H])C3=C([H])C([H])=C([H])N=C23)C([H])([H])C1([H])[H]	825
[H]N([H])C1=C([H])C([H])=C([H])C(=N1)C1=C([H])C([H])=C(C([H])=C1[H])C([H])([H])C([H])([H])N1C([H])([H])C([H])([H])N(C([H])([H])C(=O)N([H])C([H])(C([H])([H])[H])C([H])([H])[H])C([H])([H])C1([H])[H]	815
[H]N([H])C1=NC(=C([H])C([H])=C1[H])C1=C([H])C([H])=C(C([H])=C1[H])C([H])([H])C([H])([H])N1C([H])([H])C([H])([H])N(C([H])([H])C(=O)C2=C([H])C([H])=C([H])C([H])=C2[H])C([H])([H])C1([H])[H]	887
[H]N1N=C([H])C2=C([H])C([H])=C([H])C(=C12)[N+]([O-])=O	2500
[H]N([H])C1=C([H])C(=C(C([H])=N1)C([H])([H])C([H])([H])[H])C([H])([H])[H]	3400
[H]N([H])C1=C([H])C(=C([H])C(=N1)C([H])([H])C([H])([H])[H])C([H])([H])[H]	49
[H]N([H])C1=C([H])C(=C([H])C([H])=N1)C([H])([H])C([H])([H])[H]	2265
[H]N([H])C1=C([H])C([H])=C([H])C([H])=N1	2800
[H]N([H])C1=C([H])C(=C([H])C(=N1)C([H])([H])[H])C([H])([H])[H]	45
[H]N([H])C1=NC([H])=C([H])C(=C1[H])C([H])([H])[H]	100
[H]N([H])C1=C(N([H])[H])C(=C([H])C([H])=N1)C([H])([H])[H]	81
[H]N([H])C1=C([H])C(=C([H])C(=N1)C([H])(C([H])([H])[H])C([H])([H])[H])C([H])([H])[H]	200
[H]N([H])C1=C(C([H])=C([H])C([H])=N1)C([H])([H])[H]	1200
[H]N([H])C1=NC(=C([H])C(=C1[H])C([H])([H])[H])C([H])([H])C([H])(C([H])([H])[H])C([H])([H])[H]	150
[H]N([H])C1=C([H])C(=C([H])C(=N1)C([H])([H])C([H])([H])C([H])(C([H])([H])[H])C([H])([H])[H])C([H])([H])[H]	1900
[H]N([H])C1=C([H])C([H])=C(C([H])=N1)C([H])([H])[H]	3100
[H]N([H])C1=C(C([H])=C(C([H])=N1)C([H])([H])[H])C([H])([H])[H]	3600
[H]N([H])C1=C([H])C(=C(C([H])=N1)C([H])([H])[H])C([H])([H])[H]	600
[H]N([H])C1=C2C([H])=C([H])C([H])=C([H])C2=C([H])C([H])=N1	1400
[H]N([H])C1=C([H])C([H])=C([H])C(=N1)C([H])([H])[H]	820
[H]N([H])C1=C([H])C([H])=C(C(=N1)C([H])([H])[H])C([H])([H])[H]	2800
[H]N([H])C1=C(C(=C([H])C([H])=N1)C([H])([H])[H])C([H])([H])C([H])([H])[H]	3300
[H]N([H])C1=C(C(=C([H])C([H])=N1)C([H])([H])[H])C([H])([H])[H]	150
[H]N([H])C1=N[C@@]([H])(C2=C([H])C([H])=C([H])C(F)=C2[H])C([H])([H])C2=C([H])C([H])=C([H])C([H])=C12	9000
[H]C#C[C@]1([H])N=C(N([H])[H])C2=C([H])C([H])=C([H])C([H])=C2C1([H])[H]	900
[H]N([H])C1=N[C@]([H])(C2=C([H])C([H])=C(F)C([H])=C2[H])C([H])([H])C2=C([H])C([H])=C([H])C(Cl)=C12	5000
[H]N([H])C(=N/C([H])([H])C([H])([H])C([H])([H])[C@]([H])(N([H])[H])C(=O)OC([H])([H])[H])\N([H])[N+]([O-])=O	2100
[H]N([H])C1=N[C@@]([H])(C2=C([H])C([H])=C(F)C([H])=C2[H])C([H])([H])C2=C([H])C([H])=C([H])C(F)=C12	160
[H]N([H])C1=N[C@@]([H])(C([H])([H])C2=C1C([H])=C([H])S2)C1([H])C([H])([H])C1([H])[H]	750
[H]N([H])C1=N[C@@]([H])(C2=C([H])C([H])=C([H])S2)C([H])([H])C2=C1SC([H])=C2[H]	1900
[H]C#C[C@]1([H])N=C(N([H])[H])C2=C(C([H])=C([H])S2)C1([H])[H]	80
[H]N([H])C1=N[C@]([H])(C2=C([H])C([H])=C([H])C([H])=C2[H])C([H])([H])C2=C1C([H])=C([H])S2	9500
[H]C#C[C@@]1([H])N=C(N([H])[H])C2=C(SC([H])=C2[H])C1([H])[H]	120
[H]N([H])C1=NC([H])([H])C([H])([H])C2=C1SC([H])=C2[H]	280
[H]N([H])C1=N[C@]([H])(C([H])([H])C2=C1SC([H])=C2[H])C1([H])C([H])([H])C1([H])[H]	50
[H]N([H])C1=N[C@@]([H])(C2=C([H])C([H])=C([H])C([H])=C2[H])C([H])([H])C2=C1SC([H])=C2[H]	4000
[H]N([H])C1=N[C@]([H])(C#CC([H])([H])[H])C([H])([H])C2=C1SC([H])=C2[H]	5000
[H]N([H])C1=N[C@]([H])(C2=C([H])C([H])=C([H])O2)C([H])([H])C2=C1SC([H])=C2[H]	920
[H]N([H])C1=N[C@@]([H])(C2=C([H])C([H])=C([H])S2)C([H])([H])C2=C([H])C([H])=C([H])C([H])=C12	8000
[H]N([H])C1=N[C@@]([H])(C([H])([H])[H])C([H])([H])C2=C([H])C([H])=C([H])C([H])=C12	4000
[H]N([H])C1=NC([H])([H])C([H])([H])C2=C([H])C([H])=C([H])C([H])=C12	2000
[H]N([H])C1=N[C@@]([H])(C2=C([H])C([H])=C([H])O2)C([H])([H])C2=C([H])C([H])=C([H])C([H])=C12	5000
[H]N([H])C1=N[C@]([H])(C2=C([H])C([H])=C([H])C([H])=C2[H])C([H])([H])C2=C([H])C([H])=C([H])C(Cl)=C12	6000
[H]N([H])C1=N[C@]([H])(C([H])([H])C2=C([H])C([H])=C([H])C([H])=C12)C1([H])C([H])([H])C1([H])[H]	3600
[H]N([H])C1=N[C@]([H])(C2=C([H])C([H])=C([H])C([H])=C2[H])C([H])([H])C2=C([H])C([H])=C([H])C([H])=C12	9000
[H]N([H])C1=N[C@@]([H])(C([H])([H])C([H])([H])[N+]([O-])=O)C([H])([H])C([H])([H])C([H])([H])C1([H])[H]	2770
[H]N([H])C1=NC2=C([H])C(=C([H])C([H])=C2[C@@]2([H])C([H])([H])C([H])([H])C([H])([H])[C@@]12[H])C([H])([H])C([H])([H])N([H])C([H])([H])C1=C([H])C([H])=C([H])C(Cl)=C1[H]	6700
[H]N([H])C1=NC2=C([H])C(=C([H])C([H])=C2[C@@]2([H])C([H])([H])C([H])([H])C([H])([H])[C@@]12[H])C([H])([H])C([H])([H])C([H])([H])N([H])C([H])([H])C1=C([H])C(Cl)=C([H])C([H])=C1[H]	9400
[H]N([H])C1=NC2=C([H])C(=C([H])C([H])=C2[C@@]2([H])C([H])([H])C([H])([H])C([H])([H])[C@@]12[H])C([H])([H])N([H])C([H])([H])C1=C([H])C(Cl)=C([H])C([H])=C1[H]	9600
[H]N=C(N([H])C1=C([H])C([H])=C(C([H])=C1[H])C([H])([H])C([H])([H])N([H])C([H])([H])C1=C([H])C([H])=C([H])C(Cl)=C1[H])C1=C([H])C([H])=C([H])S1	3500
[H]N([H])C1=NC2=C([H])C(=C(Cl)C([H])=C2[C@@]2([H])C([H])([H])C([H])([H])C([H])([H])[C@@]12[H])C([H])([H])C([H])([H])N([H])C([H])([H])C1=C([H])C(Cl)=C([H])C([H])=C1[H]	8700
[H]N([H])C1=NC2=C([H])C([H])=C(Cl)C([H])=C2[C@@]2([H])C([H])([H])C([H])([H])C([H])([H])[C@@]12[H]	6200
[H]N([H])C1=NC2=C([H])C([H])=C([H])C([H])=C2[C@@]2([H])C([H])([H])C([H])([H])C([H])([H])[C@@]12[H]	3300
[H]N([H])C1=NC([H])([H])C([H])([H])C(=C1C([H])([H])[H])C([H])([H])[H]	320
[H]N([H])C1=NC([H])([H])C(C(=C1[H])C([H])([H])[H])(C([H])([H])[H])C([H])([H])[H]	2100
[H]N([H])C1=N[C@@]([H])(C([H])([H])[H])C([H])([H])C(=C1[H])C([H])([H])[H]	240
[H]N([H])C1=N[C@]2([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[C@]2([H])C(=C1[H])C([H])([H])[H]	3955
[H]N([H])C1=N[C@@]([H])(C([H])([H])C([H])([H])C([H])([H])[H])C([H])([H])C(=C1[H])C([H])([H])[H]	580
[H]N=C1N([H])C([H])([H])C([H])([H])C(=C1[H])C([H])([H])C([H])([H])[H]	1500
[H]N([H])C1=NC([H])([H])C([H])([H])C(=C1[H])C([H])([H])[H]	230
[H]N([H])C1=NC([H])([H])C([H])=C(C([H])([H])[H])C1([H])[H]	440
[H]N([H])C1=N[C@@]([H])(C([H])([H])C([H])=C([H])[H])C([H])([H])C(=C1[H])C([H])([H])[H]	360
[H]N([H])C1=NC([H])([H])[C@]([H])(C(=C1[H])C([H])([H])[H])C([H])([H])[H]	520
[H]N([H])C1=NC2=C(C([H])=C([H])C([H])=C2F)[C@@]2([H])C([H])([H])C([H])([H])C([H])([H])[C@@]12[H]	5800
[H]N([H])C1=NC2=C([H])C(F)=C([H])C([H])=C2[C@@]2([H])C([H])([H])C([H])([H])C([H])([H])[C@@]12[H]	2300
[H]N([H])C1=NC2=C(C([H])=C([H])C(OC([H])([H])[H])=C2[H])[C@@]2([H])C([H])([H])C([H])([H])C([H])([H])[C@@]12[H]	4100
[H]N([H])C1=NC2=C([H])C([H])=C([H])C([H])=C2[C@@]2([H])C([H])([H])OC([H])([H])[C@@]12[H]	960
[H]N([H])C1=NC2=C([H])C([H])=C(F)C([H])=C2[C@@]2([H])C([H])([H])C([H])([H])C([H])([H])[C@@]12[H]	2300
[H]N([H])C1=NC2=C([H])C(=C([H])C([H])=C2[C@@]2([H])C([H])([H])C([H])([H])C([H])([H])[C@@]12[H])C([H])([H])[H]	6200
[H]N([H])C1=C([H])C([H])=C([H])C(=N1)C1=C([H])C(=C(C([H])=C1OC([H])([H])[H])C([H])([H])C([H])([H])C([H])([H])N(C([H])([H])[H])C([H])([H])[H])C([H])([H])C([H])([H])[H]	7700
[H]N([H])C1=C([H])C([H])=C([H])C(=N1)C1=C([H])C(=C(C([H])=C1OC([H])([H])[H])C([H])([H])N(C([H])([H])[H])C([H])([H])[H])C([H])([H])C([H])([H])[H]	8833
[H]N([H])C1=C([H])C([H])=C([H])C(=N1)C1=C([H])C(=C(OC([H])([H])C([H])([H])N(C([H])([H])[H])C([H])([H])[H])C([H])=C1OC([H])([H])[H])C([H])([H])C([H])([H])[H]	3710
[H]N([H])C1=N[C@]([H])(C([H])([H])C([H])([H])[H])C([H])([H])[C@@]1([H])C([H])([H])[H]	5500
[H]N([H])C1=NC([H])([H])C([H])([H])S1	1100
[H]N([H])C1=N[C@]([H])(C([H])([H])[H])[C@@]([H])(C([H])([H])[H])C1([H])[H]	600
[H]N([H])C1=NC([H])([H])[C@]([H])(C([H])([H])[H])[C@@]1([H])C([H])([H])[H]	8700
[H]N([H])C1=N[C@@]([H])(C([H])([H])[H])[C@]([H])(C([H])([H])C([H])([H])[H])C1([H])[H]	6300
[H]N([H])C1=NC2=C([H])C([H])=C([H])C([H])=C2[C@@]2([H])C([H])([H])C([H])([H])C([H])([H])[C@@]12F	2700
[H]N([H])C1=C([H])C([H])=C([H])C(=N1)C1=C([H])C([H])=C(OC([H])([H])C([H])([H])N2C([H])([H])C([H])([H])N(C([H])([H])[H])C([H])([H])C2([H])[H])C2=C1C([H])([H])C([H])([H])C2([H])[H]	3033
[H]N([H])C1=C([H])C([H])=C([H])C(=N1)C1=C([H])C([H])=C(OC([H])([H])C([H])([H])N2C([H])([H])C([H])([H])C([H])([H])C2([H])[H])C2=C1C([H])=C([H])C([H])=C2[H]	3713
[H]N([H])C1=C([H])C([H])=C([H])C(=N1)C1=C([H])C([H])=C(OC([H])([H])[C@@]2([H])N(C([H])([H])[H])C([H])([H])C([H])([H])C2([H])[H])C2=C1C([H])=C([H])C([H])=C2[H]	2930
[H]N([H])C1=C([H])C([H])=C([H])C(=N1)C1=C([H])C([H])=C(OC([H])([H])C([H])([H])N(C([H])([H])[H])C([H])([H])[H])C2=C1C([H])([H])C([H])([H])C2([H])[H]	1572
[H]N([H])C1=C([H])C([H])=C([H])C(=N1)C1=C([H])C([H])=C(OC([H])([H])C([H])([H])N(C([H])([H])[H])C([H])([H])[H])C2=C1C([H])([H])C([H])([H])C([H])([H])C2([H])[H]	3533
[H]N([H])C1=C([H])C([H])=C([H])C(=N1)C1=C([H])C([H])=C(OC([H])([H])C([H])([H])N(C([H])([H])[H])C([H])([H])[H])C2=C1C([H])([H])C([H])([H])C([H])([H])C([H])([H])C2([H])[H]	5750
[H]N([H])C1=C([H])C([H])=C([H])C(=N1)C1=C([H])C([H])=C(OC([H])([H])C([H])([H])N2C([H])([H])C([H])([H])C([H])(N(C([H])([H])[H])C([H])([H])[H])C([H])([H])C2([H])[H])C2=C1C([H])=C([H])C([H])=C2[H]	7025
[H]N([H])C1=C([H])C([H])=C([H])C(=N1)C1=C([H])C([H])=C(OC([H])([H])[C@@]2([H])[N@]3C([H])([H])C([H])([H])[C@]([H])(C([H])([H])C3([H])[H])C2([H])[H])C2=C1C([H])=C([H])C([H])=C2[H]	3767
[H]N([H])C1=C([H])C([H])=C([H])C(=N1)C1=C([H])C([H])=C(OC([H])([H])C([H])([H])N2C([H])([H])C([H])([H])C([H])([H])C2([H])[H])C2=C1C([H])([H])C([H])([H])C2([H])[H]	785
[H]N([H])C1=C([H])C([H])=C([H])C(=N1)C1=C([H])C([H])=C(OC([H])([H])C([H])([H])N2C([H])([H])C([H])([H])C([H])([H])C2([H])[H])C2=C1C([H])([H])C([H])([H])C([H])([H])C2([H])[H]	2215
[H]N([H])C1=C([H])C([H])=C([H])C(=N1)C1=C([H])C([H])=C(OC([H])([H])C([H])([H])N(C([H])([H])[H])C([H])([H])[H])C2=C1C([H])=C([H])C([H])=C2[H]	5785
[H]N([H])C1=NC([H])=C([H])C(OC([H])([H])[H])=C1[H]	1000
[H]N([H])C1=NC([H])([H])C([H])([H])C([H])([H])OC1([H])[H]	450
[H]N([H])C1=NC([H])([H])C([H])([H])S[C@]([H])(C([H])([H])[H])C1([H])[H]	5000
[H]OC([H])([H])[C@@]1([H])N=C(N([H])[H])C([H])([H])C([H])([H])SC1([H])[H]	6000
[H]N([H])C1=NC([H])([H])[C@]([H])(SC([H])([H])C1([H])[H])C([H])([H])[H]	4100
[H]N([H])C1=N[C@@]([H])(C([H])([H])C([H])([H])[H])C([H])([H])SC([H])([H])C1([H])[H]	1100
[H]N([H])C1=N[C@@]([H])(C([H])([H])[H])C([H])([H])SC([H])([H])C1([H])[H]	5000
[H]N([H])C1=N[C@@]2([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[C@@]2([H])C([H])([H])C1([H])[H]	2000
[H]OC1=C2N([H])[C@]([H])(C([H])([H])N([H])C([H])([H])[H])C([H])([H])N([H])C2=NC(=N1)N([H])[H]	4120
[H]O[C@@]([H])(C([H])([H])[H])[C@@]([H])(O[H])[C@@]1([H])N([H])C2=C(N=C(N=C2N([H])[H])N([H])[H])N([H])C1([H])[H]	5460
[H]OC(=O)[C@@]([H])(N([H])[H])C([H])([H])C([H])([H])C([H])([H])N([H])C(=N[H])SC([H])([H])[H]	400
[H]OC(=O)[C@@]([H])(N([H])[H])C([H])([H])C([H])([H])C([H])([H])N([H])C(=N[H])C([H])([H])[H]	3405
[H]N=C(N([H])C1=C([H])C([H])=C2N=C(SC2=C1[H])N([H])C1([H])C([H])([H])C([H])([H])N(C([H])([H])C2=C([H])C([H])=C([H])C([H])=C2[H])C([H])([H])C1([H])[H])C1=C([H])C([H])=C([H])S1	6000
[H]N=C(N([H])C1=C([H])C([H])=C2SC(=NC2=C1[H])N([H])[H])C1=C([H])C([H])=C([H])S1	2300
[H]N=C(N([H])C1=C([H])C([H])=C2N=C(SC2=C1[H])N([H])C([H])([H])C([H])([H])N1C([H])([H])C([H])([H])OC([H])([H])C1([H])[H])C1=C([H])C([H])=C([H])S1	1500
[H]N=C(N([H])C1=C([H])C([H])=C2SC(=NC2=C1[H])N([H])C([H])([H])C([H])([H])C1=C([H])C([H])=C([H])C([H])=N1)C1=C([H])C([H])=C([H])S1	6000
[H]N=C(N([H])C1=C([H])C([H])=C2SC(=NC2=C1[H])N([H])C([H])([H])C([H])([H])[C@@]1([H])N(C([H])([H])[H])C([H])([H])C([H])([H])C1([H])[H])C1=C([H])C([H])=C([H])S1	1600
[H]N=C(N([H])C1=C([H])C([H])=C2N=C(SC2=C1[H])N([H])C1([H])C([H])([H])C([H])([H])N(C([H])([H])C2=C([H])C([H])=C(C([H])=C2[H])C(=O)OC([H])([H])[H])C([H])([H])C1([H])[H])C1=C([H])C([H])=C([H])S1	5200
[H]N=C(N([H])C1=C([H])C([H])=C2N=C(SC2=C1[H])N([H])C1([H])C([H])([H])C([H])([H])N(C([H])([H])C([H])([H])C2=C([H])N=C([H])N2[H])C([H])([H])C1([H])[H])C1=C([H])C([H])=C([H])S1	700
[H]N=C(N([H])C1=C([H])C([H])=C2N=C(SC2=C1[H])N([H])C1([H])C([H])([H])C([H])([H])N(C([H])([H])C2=C([H])C([H])=C(OC([H])([H])[H])C([H])=C2[H])C([H])([H])C1([H])[H])C1=C([H])C([H])=C([H])S1	5700
[H]N=C(SC([H])([H])C([H])([H])[H])N([H])C1=C([H])C([H])=C2N=C(SC2=C1[H])N([H])[H]	9200
[H]N=C(N([H])C1=C([H])C([H])=C2N=C(SC2=C1[H])N([H])C1([H])C([H])([H])C([H])([H])N(C([H])([H])C2=C([H])C([H])=C(F)C([H])=C2[H])C([H])([H])C1([H])[H])C1=C([H])C([H])=C([H])S1	8000
[H]N=C(N([H])C1=C([H])C([H])=C2N=C(SC2=C1[H])N([H])C1([H])C([H])([H])C([H])([H])N(C([H])([H])C2=C([H])C([H])=C([H])C(OC([H])([H])[H])=C2[H])C([H])([H])C1([H])[H])C1=C([H])C([H])=C([H])S1	3800
[H]N=C(N([H])C1=C([H])C([H])=C2N=C(SC2=C1[H])N([H])C([H])([H])C([H])([H])C1=C([H])C([H])=C([H])C([H])=N1)C1=C([H])C([H])=C([H])S1	900
[H]N=C(N([H])C1=C([H])C([H])=C2N=C(SC2=C1[H])N([H])C1([H])C([H])([H])C([H])([H])N(C([H])([H])C([H])([H])C2=C([H])C([H])=C(Br)C([H])=C2[H])C([H])([H])C1([H])[H])C1=C([H])C([H])=C([H])S1	2100
[H]N=C(N([H])C1=C([H])C([H])=C2N=C(SC2=C1[H])N([H])[H])C1=C([H])C([H])=C([H])S1	2900
[H]N([H])C1=NC(=C([H])C(=C1[H])C([H])([H])[H])C([H])([H])[C@]([H])(F)C([H])([H])[H]	1500
[H]N([H])C1=NC(=C([H])C(=C1[H])C([H])([H])[H])C([H])([H])C([H])([H])C([H])([H])F	1428
[H]N1C(=O)OC2=C([H])C([H])=C(Cl)C([H])=C12	8700
[H]C1=NC(=C([H])C([H])=C1[H])N(C([H])([H])[H])C([H])([H])N1C(=O)OC2=C([H])C([H])=C(Cl)C([H])=C12	8400
[H]OC(=O)[C@@]([H])(N([H])[H])C([H])([H])C1=C(N([H])C(=N/C([H])([H])[H])\N([H])[H])C([H])=C([H])C([H])=C1[H]	270
[H]OC(=O)[C@@]([H])(N([H])[H])C([H])([H])C1=C([H])C([H])=C([H])C(N([H])C(=N/C([H])([H])[H])\N([H])[H])=C1[H]	8800
[H]OC(=O)[C@@]([H])(N([H])[H])C([H])([H])C1=C([H])C([H])=C([H])C([H])=C1N([H])C(=N[H])C([H])([H])[H]	1600
[H]OC(=O)[C@@]([H])(N([H])[H])C([H])([H])C1=C(N=C(N([H])[H])N([H])[H])C([H])=C([H])C([H])=C1[H]	250
[H]N=C(N([H])[H])[C@]1([H])N([H])C([H])([H])C1([H])[H]	1325
[H]OC(=O)[C@@]([H])(N([H])[H])C([H])([H])C([H])([H])C([H])([H])N([H])C(=N[H])N([H])C([H])([H])[H]	650
[H]N=C(N([H])C1=C([H])C2=C(C([H])=C1[H])C(=C([H])N2[H])[C@@]1([H])C([H])([H])N(C([H])([H])[H])C([H])([H])C1([H])[H])C1=C([H])C([H])=C([H])S1	7100
[H]N=C(N([H])[N+]([O-])=O)N([H])C([H])([H])C([H])([H])C([H])([H])[C@]([H])(N([H])[H])C(=O)OC([H])([H])[H]	680
[H]N1C(=O)C([H])=C(C2=C([H])C([H])=C(F)C(F)=C12)C([H])([H])N1C(=NC2=C([H])C([H])=C([H])C([H])=C12)C1=C(N=C([H])S1)C([H])([H])[H]	6800
[H]N1C(=O)C([H])=C(C2=C([H])C([H])=C(F)C(F)=C12)C([H])([H])N1C(=NC2=C([H])C([H])=C([H])C([H])=C12)C1=C([H])N=C([H])N1C([H])([H])[H]	5800
[H]N1C(=O)C([H])=C(C2=C([H])C([H])=C(F)C(F)=C12)C([H])([H])N1C(=NC2=C([H])C([H])=C([H])C([H])=C12)C1=C([H])C([H])=NC([H])=C1[H]	4200
[H]N1C(=O)C([H])=C(C2=C([H])C([H])=C(F)C(F)=C12)C([H])([H])N1C(=NC2=C([H])C([H])=C([H])C([H])=C12)C1=C(C([H])=NC([H])=C1[H])C([H])([H])[H]	1300
[H]N1C(=O)C([H])=C(C2=C([H])C([H])=C(F)C(F)=C12)C([H])([H])N1C2=C([H])C([H])=C([H])C([H])=C2N=C1C([H])([H])C([H])([H])[H]	1600
[H]N1C(=O)C([H])=C(C2=C([H])C([H])=C(F)C(F)=C12)C([H])([H])N1C2=C([H])C([H])=C([H])C([H])=C2N=C1C([H])([H])C([H])([H])C([H])([H])[H]	6800
[H]N1C(=O)C([H])=C(C2=C([H])C([H])=C(F)C(F)=C12)C([H])([H])N1C2=C([H])C([H])=C([H])C([H])=C2N=C1C1([H])C([H])([H])C([H])([H])C1([H])[H]	5900
[H]N1C(=O)C([H])=C(C2=C([H])C([H])=C(F)C(F)=C12)C([H])([H])N1C2=C([H])C([H])=C([H])N=C2N=C1C1([H])C([H])([H])C([H])([H])C1([H])[H]	8800
[H]N1C(=O)C([H])=C(C2=C([H])C([H])=C(F)C(F)=C12)C([H])([H])N1C2=NC([H])=C([H])N=C2N=C1C1([H])C([H])([H])C(F)(F)C1([H])[H]	9200
[H]N=C(N([H])C1=C([H])C([H])=C2N(C([H])=C([H])C2=C1[H])C([H])([H])C([H])([H])C([H])([H])N([H])C1([H])C([H])([H])C1([H])[H])C1=C([H])C([H])=C([H])S1	8720
[H]N=C(N([H])C1=C([H])C([H])=C2N(C([H])=C([H])C2=C1[H])C([H])([H])C([H])([H])C([H])([H])N1C([H])([H])C([H])([H])OC([H])([H])C1([H])[H])C1=C([H])C([H])=C([H])S1	6000
[H]N=C(N([H])C1=C([H])C([H])=C2N(C([H])=C([H])C2=C1[H])C([H])([H])C([H])([H])C([H])([H])N([H])C([H])([H])[C@]1([H])N(C([H])([H])C([H])([H])[H])C([H])([H])C([H])([H])C1([H])[H])C1=C([H])C([H])=C([H])S1	6330
[H]N=C(N([H])C1=C([H])C([H])=C2N(C([H])=C([H])C2=C1[H])C([H])([H])C([H])([H])C([H])([H])N([H])[C@]12C([H])([H])[C@@]3([H])C([H])([H])[C@]([H])(C([H])([H])[C@]([H])(C3([H])[H])C1([H])[H])C2([H])[H])C1=C([H])C([H])=C([H])S1	3150
[H]N=C(N([H])C1=C([H])C([H])=C2N(C([H])=C([H])C2=C1[H])C([H])([H])C([H])([H])N1C([H])([H])C([H])([H])C([H])([H])C([H])([H])C1([H])[H])C1=C([H])C([H])=C([H])S1	9200
[H]N=C(N([H])C1=C([H])C([H])=C2N(C([H])=C([H])C2=C1[H])C([H])([H])C([H])([H])[C@@]1([H])N(C([H])([H])[H])C([H])([H])C([H])([H])C1([H])[H])C1=C([H])C([H])=C([H])S1	3370
[H]N=C(N([H])C1=C([H])C([H])=C2N(C([H])=C([H])C2=C1[H])C([H])([H])C([H])([H])N(C([H])([H])[H])C([H])([H])[H])C1=C([H])C([H])=C([H])S1	3700
[H]N=C(N([H])C1=C([H])C([H])=C2C([H])=C([H])N(C2=C1[H])C([H])([H])C([H])([H])N1C([H])([H])C([H])([H])C([H])([H])C([H])([H])C1([H])[H])C1=C([H])C([H])=C([H])S1	3800
[H]N=C(N([H])C1=C([H])C([H])=C2C([H])=C([H])N(C2=C1[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])N(C([H])([H])[H])C([H])([H])[H])C1=C([H])C([H])=C([H])S1	2530
[H]N1C(=O)C([H])=C(C2=C([H])C([H])=C(F)C(F)=C12)C([H])([H])N(C1=C([H])N=C([H])C([H])=N1)C1=C([H])C([H])=C([H])C(Cl)=C1[H]	1500
[H]N1C(=O)C([H])=C(C2=C([H])C([H])=C(F)C(F)=C12)C([H])([H])N(C1=NC([H])=C([H])C([H])=N1)C1=C([H])C([H])=C([H])C(Cl)=C1[H]	5500
[H]N1C(=O)C([H])=C(C2=C([H])C([H])=C(F)C(F)=C12)C([H])([H])N(C1=C([H])N=C([H])C([H])=N1)C([H])([H])C1=C([H])C([H])=C([H])C([H])=C1[H]	6400
[H]N1C(=O)C([H])=C(C2=C([H])C([H])=C(F)C(F)=C12)C([H])([H])N(C1=C([H])N=C([H])C([H])=N1)C([H])([H])C1=C([H])C(Cl)=C([H])C([H])=C1[H]	8300
[H]N1C(=O)C([H])=C(C2=C([H])C([H])=C(F)C(F)=C12)C([H])([H])N(C1=C([H])N=C([H])C([H])=N1)C([H])([H])C1=C([H])C([H])=C(Cl)C([H])=C1[H]	7100
[H]N1C(=O)C([H])=C(C2=C([H])C([H])=C(F)C(F)=C12)C([H])([H])N(C1=C([H])C([H])=NC(=N1)C([H])([H])[H])C1=C([H])C([H])=C([H])C(Cl)=C1[H]	7500
[H]N1C(=O)C([H])=C(C2=C([H])C([H])=C(F)C(F)=C12)C([H])([H])N(C1=NC([H])=NC2=C1C([H])=NN2C([H])([H])[H])C1=C([H])C([H])=C([H])C(Cl)=C1[H]	8300
[H]O[C@@]1([H])C([H])([H])N(C([H])([H])C([H])([H])N2C3=C([H])C(N([H])C(=N[H])C4=C([H])C([H])=C([H])S4)=C([H])C([H])=C3C([H])([H])C2([H])[H])C([H])([H])C1([H])[H]	7120
[H]OC([H])([H])C([H])([H])N([H])C([H])([H])C([H])([H])N1C2=C([H])C(N([H])C(=N[H])C3=C([H])C([H])=C([H])S3)=C([H])C([H])=C2C([H])([H])C1([H])[H]	3360
[H]N=C(N([H])C1=C([H])C([H])=C2C(=C1[H])N(C([H])([H])C2([H])[H])[C@@]1([H])C([H])([H])N([H])C([H])([H])C1([H])[H])C1=C([H])C([H])=C([H])S1	7170
[H]N=C(N([H])C([H])([H])[H])N([H])C([H])([H])C([H])([H])C([H])([H])[C@]([H])(N([H])[H])C(=O)OC([H])([H])[H]	650
[H]N=C(N([H])C1=C([H])C([H])=C2N(C([H])([H])C([H])([H])C([H])([H])N3C([H])([H])C([H])([H])C([H])([H])C3([H])[H])C([H])([H])C([H])([H])C([H])([H])C2=C1[H])C1=C([H])C([H])=C([H])S1	9500
[H]N([H])C1=N[C@]([H])(N([H])C2=C(F)C([H])=C([H])C(F)=C12)C1=C([H])C([H])=C([H])O1	180
[H]N([H])C1=N[C@@]([H])(N([H])C2=C([H])C([H])=C([H])C(F)=C12)C1([H])C([H])([H])C([H])([H])C1([H])[H]	4600
[H]N1C([H])([H])C([H])([H])C([H])(N(C([H])([H])C2=C([H])C(Cl)=C([H])C([H])=C2C#N)C([H])([H])C2([H])C([H])([H])C2([H])[H])C([H])([H])C1([H])[H]	2100
[H]N1C([H])([H])C([H])([H])C([H])(N(C([H])([H])C2=C([H])C(Cl)=C([H])C([H])=C2C#N)C([H])([H])C([H])([H])C([H])([H])[H])C([H])([H])C1([H])[H]	1700
[H]N1C([H])([H])C([H])([H])C([H])(N(C([H])([H])C2=C([H])C(Cl)=C([H])C([H])=C2C#N)C([H])([H])C([H])([H])[H])C([H])([H])C1([H])[H]	1000
[H]C1=C([H])C([H])=C(C([H])=C1[H])C([H])([H])C([H])([H])N1C([H])([H])C([H])([H])C([H])(N(C([H])([H])[H])C([H])([H])C2=C([H])C(Cl)=C([H])C([H])=C2C#N)C([H])([H])C1([H])[H]	220
[H]C1=C([H])C([H])=C(C([H])=C1[H])C([H])([H])N1C([H])([H])C([H])([H])C([H])(N(C([H])([H])[H])C([H])([H])C2=C([H])C(Cl)=C([H])C([H])=C2C#N)C([H])([H])C1([H])[H]	2375
[H]C1=C(Cl)C([H])=C(C(C#N)=C1[H])C([H])([H])N(C([H])([H])[H])C1([H])C([H])([H])C([H])([H])N(C([H])([H])C2([H])C([H])([H])C2([H])[H])C([H])([H])C1([H])[H]	770
[H]C1=C(Cl)C([H])=C(C(=C1[H])[N+]([O-])=O)C([H])([H])N(C([H])([H])[H])C1([H])C([H])([H])C([H])([H])N(C([H])([H])[H])C([H])([H])C1([H])[H]	180
[H]N1C([H])([H])C([H])([H])C([H])([H])[C@]([H])(N(C([H])([H])[H])C([H])([H])C2=C([H])C(Cl)=C([H])C([H])=C2C#N)C([H])([H])C1([H])[H]	4400
[H]N1C([H])([H])C([H])([H])[C@]([H])(N(C([H])([H])[H])C([H])([H])C2=C([H])C(Cl)=C([H])C([H])=C2C#N)C1([H])[H]	4000
[H]N1C([H])([H])C([H])([H])C([H])([H])[C@@]([H])(N(C([H])([H])[H])C([H])([H])C2=C([H])C(Cl)=C([H])C([H])=C2C#N)C1([H])[H]	983
[H]C1=C(Cl)C([H])=C(C(Br)=C1[H])C([H])([H])N(C([H])([H])[H])C1([H])C([H])([H])C([H])([H])N(C([H])([H])[H])C([H])([H])C1([H])[H]	820
[H]C1=C(Cl)C([H])=C(C(=C1[H])C(F)(F)F)C([H])([H])N(C([H])([H])[H])C1([H])C([H])([H])C([H])([H])N(C([H])([H])[H])C([H])([H])C1([H])[H]	1400
[H]C1=C(Br)C([H])=C(C(C#N)=C1[H])C([H])([H])N(C([H])([H])[H])C1([H])C([H])([H])C([H])([H])N(C([H])([H])[H])C([H])([H])C1([H])[H]	810
[H]C1=C(Cl)C([H])=C(C(C#N)=C1[H])C([H])([H])N(C([H])([H])[H])C1([H])C([H])([H])C([H])([H])N(C([H])([H])[H])C([H])([H])C1([H])[H]	770
[H]N=C1N([H])[C@@]([H])(C([H])([H])C([H])([H])C([H])([H])[H])C([H])([H])OC2=C1SC([H])=C2[H]	200
[H]N=C(N([H])C1=C([H])C([H])=C2N(C(=NC2=C1[H])C([H])([H])C1=C([H])C([H])=C(OC([H])([H])C([H])([H])[H])C([H])=C1[H])C([H])([H])C([H])([H])N(C([H])([H])C([H])([H])[H])C([H])([H])C([H])([H])[H])C1=C([H])C([H])=C([H])S1	4740
[H]N=C(N([H])C1=C([H])C([H])=C2N(C(=NC2=C1[H])C([H])([H])C1=C([H])C([H])=C(OC([H])([H])C([H])([H])[H])C([H])=C1[H])C([H])([H])C([H])([H])[C@@]1([H])N(C([H])([H])[H])C([H])([H])C([H])([H])C1([H])[H])C1=C([H])C([H])=C([H])S1	4040
[H]N=C(N([H])C1=C([H])C([H])=C2N(C(=NC2=C1[H])C([H])([H])C1=C([H])C([H])=C(OC([H])([H])C([H])([H])[H])C([H])=C1[H])C1([H])C([H])([H])C([H])([H])N(C([H])([H])[H])C([H])([H])C1([H])[H])C1=C([H])C([H])=C([H])S1	8000
[H]OC(=O)[C@@]([H])(N([H])C([H])([H])[H])C([H])([H])C([H])([H])C([H])([H])N([H])C(=N[H])N([H])[H]	650
[H]C1=C([H])C(OC([H])([H])[H])=C([H])C(=N1)C([H])([H])SC([H])([H])[H]	1071.52
[H]N([H])C1=N[C@]2([H])[C@]([H])(Cl)[C@]2([H])[C@@]([H])(C([H])([H])[H])C1([H])[H]	18.62
ClC1=CC=CC(CCNCCC2=CC=C(NC(=N)C3=CC=CS3)C=C2)=C1	3500