smile	binding.affinity
[H]N1C(=NC2=C1C1=C(C(=O)N([H])C([H])=C1[H])C1=C2C([H])=C([H])C(F)=C1[H])C(C([H])([H])[H])(C([H])([H])[H])C([H])([H])[H]	1
[H]N(C1=NC(N([H])C2=C([H])C([H])=C([H])C([H])=C2S(=O)(=O)C([H])(C([H])([H])[H])C([H])([H])[H])=C(Cl)C([H])=N1)C1=C([H])C([H])=C(C([H])=C1OC([H])([H])[H])N1C([H])([H])C([H])([H])C([H])(N2C([H])([H])C([H])([H])N(C([H])([H])[H])C([H])([H])C2([H])[H])C([H])([H])C1([H])[H]	1648.75
[H]N(C(=O)C1=C([H])C([H])=C(C(=C1[H])C1=C([H])C([H])=C2N=C(N=C([H])C2=C1[H])N([H])C([H])([H])C([H])([H])N1C([H])([H])C([H])([H])OC([H])([H])C1([H])[H])C([H])([H])[H])C1=C([H])C(=C([H])C([H])=C1[H])C(F)(F)F	1830
[H]N(C(=O)C1=C([H])C([H])=C(C(=C1[H])C1=C([H])C([H])=C2N=C(N=C([H])C2=C1[H])N([H])C([H])([H])[H])C([H])([H])[H])C1=C([H])C(=C([H])C([H])=C1OC1([H])C([H])([H])C([H])([H])N(C([H])([H])[H])C([H])([H])C1([H])[H])C(F)(F)F	2730
[H]N(C1=C(Cl)C([H])=C2N([H])C(=O)N([H])C3=NC(OC([H])([H])C([H])([H])C([H])([H])C([H])([H])OC2=C1[H])=C(N=C3[H])C#N)C([H])([H])C1=C([H])N=C([H])S1	1936
[H]N([H])C1=NC2=C(C([H])=N1)C([H])([H])N(C(=O)N2C([H])([H])[H])C1=C(C([H])=C([H])C(N([H])C(=O)C2=C([H])C([H])=C([H])C(=C2[H])C(F)(F)F)=C1[H])C([H])([H])[H]	2000
[H]N(\C(=C1/C(=O)N([H])C2=C1C([H])=C(N([H])S(=O)(=O)C([H])([H])C([H])([H])[H])C([H])=C2[H])C1=C([H])C([H])=C([H])C([H])=C1[H])C1=C([H])C([H])=C(C([H])=C1[H])C([H])([H])N1C([H])([H])C([H])([H])C([H])([H])C([H])([H])C1([H])[H]	75
[H]N1C([H])=C([H])C2=C1N=C([H])N=C2N(C([H])([H])[H])[C@@]1([H])C([H])([H])N(C(=O)C([H])([H])C#N)C([H])([H])C([H])([H])[C@@]1([H])C([H])([H])[H]	114
[H]N(C(=O)C1=C(N([H])C([H])([H])[H])C([H])=C([H])N(C1=O)C1=C([H])C([H])=C([H])C([H])=C1[H])C1=C([H])C([H])=C(OC2=C([H])C([H])=NC3=C2C([H])=C(OC([H])([H])[H])C(OC([H])([H])[H])=C3[H])C([H])=N1	1000
[H]N1C([H])=C([H])C2=C1N=C([H])N=C2C1=C([H])N(N=C1[H])[C@]([H])(C([H])([H])C#N)C1([H])C([H])([H])C([H])([H])C([H])([H])C1([H])[H]	19
[H]N(C([H])([H])[H])S(=O)(=O)C1=C([H])C([H])=C(C([H])=C1[H])C1=C2N=C(C([H])=NC2=C([H])C([H])=C1[H])C1=C([H])C(OC([H])([H])[H])=C(OC([H])([H])[H])C(OC([H])([H])[H])=C1[H]	640
[H]C1=C([H])C(C2=C([H])C([H])=C(C([H])=C2[H])C([H])([H])C(=O)N2C([H])([H])C([H])([H])OC([H])([H])C2([H])[H])=C2N=C(C([H])=NC2=C1[H])C1=C([H])C(OC([H])([H])[H])=C(OC([H])([H])[H])C(OC([H])([H])[H])=C1[H]	640
[H]C1=C([H])C(C2=C([H])C([H])=C(C([H])=C2[H])C([H])([H])C(=O)N2C([H])([H])C([H])([H])S(=O)(=O)C([H])([H])C2([H])[H])=C2N=C(C([H])=NC2=C1[H])C1=C([H])C(OC([H])([H])[H])=C(OC([H])([H])[H])C(OC([H])([H])[H])=C1[H]	340
[H]C1=C([H])C(C2=C([H])C([H])=C(C([H])=C2[H])C([H])([H])N2C([H])([H])C([H])([H])S(=O)(=O)C([H])([H])C2([H])[H])=C2N=C(C([H])=NC2=C1[H])C1=C([H])C(OC([H])([H])[H])=C(OC([H])([H])[H])C(OC([H])([H])[H])=C1[H]	520
[H]C1=C([H])C(C2=C([H])C([H])=C(C([H])=C2[H])C(=O)N2C([H])([H])C([H])([H])OC([H])([H])C2([H])[H])=C2N=C(C([H])=NC2=C1[H])C1=C([H])C(OC([H])([H])[H])=C(OC([H])([H])[H])C(OC([H])([H])[H])=C1[H]	2900
[H]C1=C([H])C(C2=C([H])C([H])=C(C(=C2[H])C([H])([H])[H])C([H])([H])N2C([H])([H])C([H])([H])OC([H])([H])C2([H])[H])=C2N=C(C([H])=NC2=C1[H])C1=C([H])C(OC([H])([H])[H])=C(OC([H])([H])[H])C(OC([H])([H])[H])=C1[H]	7130
[H]C1=C([H])C(C2=C([H])C(=C(C([H])=C2[H])C(=O)N2C([H])([H])C([H])([H])OC([H])([H])C2([H])[H])C([H])([H])[H])=C2N=C(C([H])=NC2=C1[H])C1=C([H])C(OC([H])([H])[H])=C(OC([H])([H])[H])C(OC([H])([H])[H])=C1[H]	1400
[H]C1=C([H])C(C2=C([H])C(F)=C(C([H])=C2[H])C([H])([H])N2C([H])([H])C([H])([H])OC([H])([H])C2([H])[H])=C2N=C(C([H])=NC2=C1[H])C1=C([H])C(OC([H])([H])[H])=C(OC([H])([H])[H])C(OC([H])([H])[H])=C1[H]	2200
[H]C1=C([H])C(=C2N=C(C([H])=NC2=C1[H])C1=C([H])C(OC([H])([H])[H])=C(OC([H])([H])[H])C(OC([H])([H])[H])=C1[H])C1=C(C([H])=C(C([H])=C1[H])C([H])([H])N1C([H])([H])C([H])([H])OC([H])([H])C1([H])[H])C([H])([H])[H]	4200
[H]N(C(=O)C([H])([H])C1=C([H])C([H])=C([H])C([H])=C1[H])C1=C([H])C(=C([H])C([H])=C1[H])C1=C(N2C([H])=C([H])SC2=N1)C1=C([H])C([H])=NC(=N1)N([H])C1=C([H])C([H])=C([H])C(=C1[H])N1C([H])([H])C([H])([H])OC([H])([H])C1([H])[H]	1000
[H]C1=C([H])C(=C2N=C(C([H])=NC2=C1[H])C1=C([H])C(OC([H])([H])[H])=C(OC([H])([H])[H])C(OC([H])([H])[H])=C1[H])C1=C(F)C([H])=C(C([H])=C1[H])C([H])([H])N1C([H])([H])C([H])([H])OC([H])([H])C1([H])[H]	9300
[H]C1=C([H])C(C2=C([H])C([H])=C(C([H])=C2[H])C([H])([H])N2C([H])([H])C([H])([H])S(=O)(=O)C([H])([H])C2([H])[H])=C2N=C(C([H])=NC2=C1[H])C1=C([H])C(=C(C([H])=C1[H])C(=O)N1C([H])([H])C([H])([H])N(C([H])([H])[H])C([H])([H])C1([H])[H])C([H])([H])[H]	330
[H]C1=C([H])C(C2=C([H])C([H])=C(C(=C2[H])C([H])([H])[H])C([H])([H])N2C([H])([H])C([H])([H])OC([H])([H])C2([H])[H])=C2N=C(C([H])=NC2=C1[H])C1=C([H])C(=C(C([H])=C1[H])C(=O)N1C([H])([H])C([H])([H])OC([H])([H])C1([H])[H])C([H])([H])[H]	439
[H]C1=C([H])C(C2=C([H])C(F)=C(C([H])=C2[H])C([H])([H])N2C([H])([H])C([H])([H])OC([H])([H])C2([H])[H])=C2N=C(C([H])=NC2=C1[H])C1=C([H])C(=C(C([H])=C1[H])C(=O)N1C([H])([H])C([H])([H])OC([H])([H])C1([H])[H])C([H])([H])[H]	520
[H]C1=C([H])C(C2=C([H])C(F)=C(C(F)=C2[H])C([H])([H])N2C([H])([H])C([H])([H])OC([H])([H])C2([H])[H])=C2N=C(C([H])=NC2=C1[H])C1=C([H])C(=C(C([H])=C1[H])C(=O)N1C([H])([H])C([H])([H])OC([H])([H])C1([H])[H])C([H])([H])[H]	120
[H]C1=C([H])C(C2=C([H])C(F)=C(C(F)=C2[H])C([H])([H])N2C([H])([H])C([H])([H])OC([H])([H])C2([H])[H])=C2N=C(C([H])=NC2=C1[H])C1=C([H])C([H])=C(C([H])=C1[H])N1C([H])([H])C([H])([H])N(C([H])([H])[H])C([H])([H])C1([H])[H]	94
[H]C1=C([H])C(C2=C([H])C(F)=C(C(F)=C2[H])C([H])([H])N2C([H])([H])C([H])([H])S(=O)(=O)C([H])([H])C2([H])[H])=C2N=C(C([H])=NC2=C1[H])C1=C([H])C([H])=C(N=C1[H])N1C([H])([H])C([H])([H])N(C([H])([H])[H])C([H])([H])C1([H])[H]	86
[H]N1C([H])([H])C([H])([H])C([H])(N2N=C([H])C(=C2[H])C2=NC3=C(C([H])=C([H])C([H])=C3N=C2[H])C2=C([H])C(F)=C(C(F)=C2[H])C([H])([H])N2C([H])([H])C([H])([H])OC([H])([H])C2([H])[H])C([H])([H])C1([H])[H]	384
[H]N(C1=NC2=C(O1)C(=C([H])C([H])=C2[H])C1=C([H])C([H])=C([H])C([H])=N1)C1=C([H])C(OC([H])([H])[H])=C(OC([H])([H])[H])C(OC([H])([H])[H])=C1[H]	640
[H]N(C1=NC2=C(O1)C(=C([H])C([H])=C2[H])C1=C([H])C(F)=C(C(F)=C1[H])C([H])([H])N1C([H])([H])C([H])([H])OC([H])([H])C1([H])[H])C1=C([H])C(=C(C([H])=C1[H])C(=O)N([H])C([H])([H])C([H])([H])C([H])([H])N(C([H])([H])[H])C([H])([H])[H])C([H])([H])[H]	97
[H]N(C1=NC2=C(O1)C(=C([H])C([H])=C2[H])C1=C([H])C([H])=C([H])C([H])=C1[H])C1=C([H])C(OC([H])([H])[H])=C(OC([H])([H])[H])C(OC([H])([H])[H])=C1[H]	3400
[H]N(C1=NC2=C(O1)C(=C([H])C([H])=C2[H])C1=C([H])C([H])=C2N=C([H])C([H])=C([H])C2=C1[H])C1=C([H])C(OC([H])([H])[H])=C(OC([H])([H])[H])C(OC([H])([H])[H])=C1[H]	1400
[H]N(C1=NC2=C(O1)C(=C([H])C([H])=C2[H])C1=C([H])C([H])=C([H])C(N([H])S(=O)(=O)C([H])([H])[H])=C1[H])C1=C([H])C(OC([H])([H])[H])=C(OC([H])([H])[H])C(OC([H])([H])[H])=C1[H]	3600
[H]N(C1=NC2=C(O1)C(=C([H])C([H])=C2[H])C1=C([H])C([H])=C(N([H])S(=O)(=O)C([H])([H])[H])C([H])=C1[H])C1=C([H])C(OC([H])([H])[H])=C(OC([H])([H])[H])C(OC([H])([H])[H])=C1[H]	150
[H]N(C(=O)C1=C(C([H])=C(N([H])C2=NC3=C(O2)C(=C([H])C([H])=C3[H])C2=C([H])C(F)=C(C(F)=C2[H])C([H])([H])N2C([H])([H])C([H])([H])OC([H])([H])C2([H])[H])C([H])=C1[H])C([H])([H])[H])C([H])([H])[H]	120
[H]N(C1=NC2=C(O1)C(=C([H])C([H])=C2[H])C1=C([H])C(=C(C([H])=C1[H])C(=O)N1C([H])([H])C([H])([H])OC([H])([H])C1([H])[H])C([H])([H])[H])C1=C([H])C([H])=C(C([H])=C1[H])N1C([H])([H])C([H])([H])N(C([H])([H])[H])C([H])([H])C1([H])[H]	300
[H]N(C1=NC2=C(O1)C(=C([H])C([H])=C2[H])C1=C([H])C([H])=C(C([H])=C1[H])C(=O)N1C([H])([H])C([H])([H])OC([H])([H])C1([H])[H])C1=C([H])C(OC([H])([H])[H])=C(OC([H])([H])[H])C(OC([H])([H])[H])=C1[H]	110
[H]N(C1=NC2=C(O1)C(=C([H])C([H])=C2[H])C1=C([H])C(F)=C(C([H])=C1[H])C(=O)N1C([H])([H])C([H])([H])OC([H])([H])C1([H])[H])C1=C([H])C(OC([H])([H])[H])=C(OC([H])([H])[H])C(OC([H])([H])[H])=C1[H]	63
[H]N(C1=NC2=C(O1)C(=C([H])C([H])=C2[H])C1=C([H])C([H])=C(C([H])=C1[H])C([H])([H])N1C([H])([H])C([H])([H])OC([H])([H])C1([H])[H])C1=C([H])C(OC([H])([H])[H])=C(OC([H])([H])[H])C(OC([H])([H])[H])=C1[H]	310
[H]N(C1=NC2=C(O1)C(=C([H])C([H])=C2[H])C1=C([H])C([H])=C(C([H])=C1[H])C(=O)N1C([H])([H])C([H])([H])OC([H])([H])C1([H])[H])C1=C([H])C([H])=C(C([H])=C1[H])C(=O)N(C([H])([H])[H])C([H])([H])[H]	730
[H]N(C1=NC2=C(O1)C(=C([H])C([H])=C2[H])C1=C([H])C(F)=C(C(F)=C1[H])C([H])([H])N1C([H])([H])C([H])([H])OC([H])([H])C1([H])[H])C1=C([H])C(=C(C([H])=C1[H])C(=O)N(C([H])([H])[H])C([H])([H])[H])C([H])([H])[H]	200
[H]N([H])C1=C(C([H])=NN1C1=C([H])C([H])=C([H])C([H])=C1F)C(=O)N([H])C1=C(C([H])=C([H])C(=C1[H])C(=O)N([H])C1=NOC([H])=C1[H])C([H])([H])[H]	5000
[H]N(C(=O)C1=C(N([H])C(\C([H])=C2/C(=O)N([H])C3=C([H])C([H])=C(F)C([H])=C23)=C1C([H])([H])[H])C([H])([H])[H])C([H])([H])C([H])([H])N(C([H])([H])C([H])([H])[H])C([H])([H])C([H])([H])[H]	1600
[H]N(C1=NC([H])=C(C(=N1)N([H])C1=C([H])C(=C([H])C([H])=C1[H])S(=O)(=O)N([H])C(C([H])([H])[H])(C([H])([H])[H])C([H])([H])[H])C([H])([H])[H])C1=C([H])C([H])=C(OC([H])([H])C([H])([H])N2C([H])([H])C([H])([H])C([H])([H])C2([H])[H])C([H])=C1[H]	192.75
[H]N([H])C1=NC(=NN1C(=O)C1=C(F)C([H])=C([H])C([H])=C1F)N([H])C1=C([H])C([H])=C([H])C(=C1[H])S(=O)(=O)N([H])[H]	70
[H]N([H])C1=NC(=NN1C(=O)C1=C(F)C([H])=C([H])C([H])=C1F)N([H])C1=C([H])C([H])=C([H])C(=C1[H])C(=O)OC([H])([H])C([H])([H])[H]	1720
[H]OC(=O)C1=C([H])C(N([H])C2=NN(C(=O)C3=C(F)C([H])=C([H])C([H])=C3F)C(=N2)N([H])[H])=C([H])C([H])=C1[H]	690
[H]N([H])C1=NC(=NN1C(=O)C1=C(F)C([H])=C([H])C([H])=C1F)N([H])C1=C([H])C([H])=C(C([H])=C1[H])C(=O)OC([H])([H])[H]	760
[H]OC(=O)C1=C([H])C([H])=C(N([H])C2=NN(C(=O)C3=C(F)C([H])=C([H])C([H])=C3F)C(=N2)N([H])[H])C([H])=C1[H]	42
[H]N([H])C1=NC(=NN1C(=O)C1=C(F)C([H])=C([H])C([H])=C1F)N([H])C1=C([H])C([H])=C([H])C([H])=C1[H]	360
[H]N([H])C1=NC(=NN1C(=O)C1=C(F)C([H])=C([H])C([H])=C1F)N([H])C1=C([H])C([H])=C([H])C(=C1[H])N(C([H])([H])[H])C([H])([H])[H]	70
[H]N([H])C1=NC(=NN1C(=O)C1=C(F)C([H])=C([H])C([H])=C1F)N([H])C1=C([H])C([H])=C(C([H])=C1[H])N(C([H])([H])[H])C([H])([H])[H]	70
[H]N([H])C1=NC(=NN1C(=O)C1=C(F)C([H])=C([H])C([H])=C1F)N([H])C1=C([H])C([H])=C([H])N=C1[H]	300
[H]N([H])C1=NC(=NN1C(=O)C1=C(F)C([H])=C([H])C([H])=C1[H])N([H])C1=C([H])C([H])=C([H])C(=C1[H])C(=O)OC([H])([H])C([H])([H])[H]	6040
[H]N([H])C1=NC(=NN1C(=O)C1=C(F)C([H])=C([H])C([H])=C1F)N([H])C1=C([H])C([H])=C(C([H])=C1[H])S(=O)(=O)N([H])[H]	32
[H]OC(C(=O)N1C([H])([H])C([H])([H])N(C2=C([H])C(C3=C(C(=O)N([H])C3=O)C3=C([H])N([H])C4=C3C([H])=C([H])C([H])=C4[H])=C(C([H])=C2[H])C(F)(F)F)C([H])([H])C1([H])[H])(C([H])([H])[H])C([H])([H])[H]	8055
[H]N1C([H])=C(C2=C1C([H])=C([H])C([H])=C2[H])C1=C(C(=O)N([H])C1=O)C1=C(C([H])=C([H])C(=C1[H])N1C([H])([H])C([H])([H])N(C([H])=O)C([H])([H])C1([H])[H])C(F)(F)F	5040
[H]N1C([H])=C(C2=C1C([H])=C([H])C([H])=C2[H])C1=C(C(=O)N([H])C1=O)C1=NC(=NC([H])=C1C(F)(F)F)N1C([H])([H])C([H])([H])C(=O)C([H])([H])C1([H])[H]	4333
[H]OC1=C2C(=C([H])C(OC([H])([H])[H])=C1[H])C([H])([H])C([H])([H])C([H])([H])[C@]([H])(O[H])C([H])([H])C(=O)\C([H])=C([H])/C([H])([H])[C@@]([H])(OC2=O)C([H])([H])[H]	7200
[H]N1C([H])=C([H])C2=C3N(C([H])=NC3=C([H])N=C12)[C@@]1([H])C([H])([H])N(C(=O)C([H])([H])C#N)C([H])([H])C([H])([H])[C@@]1([H])C([H])([H])[H]	4.45
[H]N1C([H])=C([H])C2=C(N=C([H])N=C12)N(C([H])([H])[H])[C@@]1([H])C([H])([H])N(C([H])([H])C2=C([H])C([H])=C([H])C([H])=C2[H])C([H])([H])C([H])([H])[C@@]1([H])C([H])([H])[H]	3500
[H]N1C([H])=C([H])C2=C3N(C([H])=NC3=C([H])N=C12)[C@@]1([H])C([H])([H])N(C([H])([H])C2=C([H])C([H])=C([H])C([H])=C2[H])C([H])([H])C([H])([H])[C@@]1([H])C([H])([H])[H]	160
[H]N1C([H])=C([H])C2=C3N(C([H])=NC3=C([H])N=C12)[C@@]1([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]	89
[H]N1C([H])=C([H])C2=C3N(C([H])=NC3=C([H])N=C12)C1([H])C([H])([H])N(C([H])([H])C2=C([H])C([H])=C([H])C([H])=C2[H])C1([H])[H]	540
[H]N1C([H])=C([H])C2=C3N(C([H])=NC3=C([H])N=C12)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]	85
[H]N1C(=O)\C(=C(\[H])C2=C(C(C(=O)N3C([H])([H])C([H])([H])C([H])([H])[C@]3([H])C([H])([H])N3C([H])([H])C([H])([H])C([H])([H])C3([H])[H])=C(N2[H])C([H])([H])[H])C([H])([H])[H])C2=C1C([H])=C([H])C(=C2[H])S(=O)(=O)C([H])([H])C1=C(Cl)C([H])=C([H])C([H])=C1Cl	8300
[H]O[C@@]([H])(C([H])([H])N([H])C(=O)C1=C(N([H])C(\C([H])=C2/C(=O)N([H])C3=C2C([H])=C(F)C([H])=C3[H])=C1C([H])([H])[H])C([H])([H])[H])C([H])([H])N1C([H])([H])C([H])([H])OC([H])([H])C1([H])[H]	5100
[H]N1N=C(\C([H])=C(/[H])C2=C([H])C([H])=C(C([H])=C2[H])C(=O)N2C([H])([H])C([H])([H])N([H])C([H])([H])C2([H])[H])C2=C1C([H])=C([H])C([H])=C2[H]	340
[H]OC([H])([H])C([H])([H])N1C([H])([H])C([H])([H])N(C2=C([H])C(=NC(=N2)C([H])([H])[H])N([H])C2=NC([H])=C(S2)C(=O)N([H])C2=C(Cl)C([H])=C([H])C([H])=C2C([H])([H])[H])C([H])([H])C1([H])[H]	1800
[H]N(\C(=C1/C(=O)N([H])C2=C1C([H])=C([H])C([H])=C2[H])C1=C([H])C([H])=C([H])C([H])=C1[H])C1=C([H])C([H])=C(C([H])=C1[H])N(C(=O)C([H])([H])N1C([H])([H])C([H])([H])N(C([H])([H])[H])C([H])([H])C1([H])[H])C([H])([H])[H]	268.5
[H]N1N=C([H])C2=C1C([H])=C([H])C([H])=C2C1=NC(N2C([H])([H])C([H])([H])OC([H])([H])C2([H])[H])=C2SC(=C([H])C2=N1)C([H])([H])N1C([H])([H])C([H])([H])N(C([H])([H])C1([H])[H])S(=O)(=O)C([H])([H])[H]	5900
[H]OC1=C([H])C2=C(N([H])C(=C2[H])C2=NN(C3=C2C(=NC([H])=N3)N([H])[H])C([H])(C([H])([H])[H])C([H])([H])[H])C([H])=C1[H]	1840
[H]N([H])C1=NC([H])=C(C([H])=C1O[C@@]([H])(C1=C(Cl)C([H])=C([H])C(F)=C1Cl)C([H])([H])[H])C1=C([H])N(N=C1[H])C1([H])C([H])([H])C([H])([H])N([H])C([H])([H])C1([H])[H]	1105
[H]N(C(=O)N(C1=NC([H])=NC(N([H])C2=C([H])C([H])=C(C([H])=C2[H])N2C([H])([H])C([H])([H])N(C([H])([H])C([H])([H])[H])C([H])([H])C2([H])[H])=C1[H])C([H])([H])[H])C1=C(Cl)C(OC([H])([H])[H])=C([H])C(OC([H])([H])[H])=C1Cl	6651.5
[H]N1C(=NC2=C3C([H])=C([H])C(F)=C([H])C3=C3C(=O)N([H])C([H])=C([H])C3=C12)C1=C([H])C([H])=C([H])C([H])=C1Cl	7
[H]N([H])C([H])([H])C([H])([H])N([H])C1=NC2=C([H])C([H])=C(C([H])=C2N2C1=NC([H])=C2C([H])([H])[H])C([H])([H])[H]	6000
[H]N(C(=O)C1=C([H])C([H])=C([H])C([H])=C1SC1=C([H])C([H])=C2C(=NN([H])C2=C1[H])C(\[H])=C(/[H])C1=NC([H])=C([H])C([H])=C1[H])C([H])([H])[H]	6800
[H]N(C1=C([H])C(OC([H])([H])[H])=C(Cl)C([H])=C1Cl)C1=C(C#N)C([H])=NC2=C([H])C(OC([H])([H])C([H])([H])C([H])([H])N3C([H])([H])C([H])([H])N(C([H])([H])[H])C([H])([H])C3([H])[H])=C(OC([H])([H])[H])C([H])=C12	5500
[H]N(C([H])([H])[H])[C@]1([H])C([H])([H])[C@@]2([H])O[C@@](N3C4=C(C([H])=C([H])C([H])=C4[H])C4=C3C3=C(C5=C(C([H])=C([H])C([H])=C5[H])N23)C2=C4C([H])([H])N([H])C2=O)(C([H])([H])[H])[C@]1([H])OC([H])([H])[H]	56
[H]N(C(=O)N([H])C1=C([H])C(=C(C([H])=C1[H])C([H])([H])N1C([H])([H])C([H])([H])N(C([H])([H])C([H])([H])[H])C([H])([H])C1([H])[H])C(F)(F)F)C1=C([H])C([H])=C(OC2=NC([H])=NC(N([H])C([H])([H])[H])=C2[H])C([H])=C1[H]	2100
[H]OC1=C([H])C(=C([H])C([H])=C1[H])C1=NC2=C(N=C1C1=C([H])C([H])=C([H])C(O[H])=C1[H])C(=NC(=N2)N([H])[H])N([H])[H]	5385
[H]N(C1=C([H])C([H])=C2OC(C(=O)N([H])C2=N1)(C([H])([H])[H])C([H])([H])[H])C1=C(F)C([H])=NC(=N1)N([H])C1=C([H])C(OC([H])([H])[H])=C(OC([H])([H])[H])C(OC([H])([H])[H])=C1[H]	5095
[H]N(C(=O)C1([H])C([H])([H])C1([H])[H])C1=C([H])C([H])=C(SC2=NC(=C([H])C(=N2)N([H])C2=C([H])C(=NN2[H])C([H])([H])[H])N2C([H])([H])C([H])([H])N(C([H])([H])[H])C([H])([H])C2([H])[H])C([H])=C1[H]	6600
[H]N(C(=O)C1=NC(C#N)=C([H])N1[H])C1=C(C([H])=C(C([H])=C1[H])C1([H])C([H])([H])C([H])([H])N(C(=O)C([H])([H])N(C([H])([H])[H])C([H])([H])[H])C([H])([H])C1([H])[H])C1=C([H])C([H])([H])C([H])([H])C([H])([H])C1([H])[H]	237.9
[H]N(C1=NC([H])=C2C([H])=C(C(=O)N(C2=N1)C([H])([H])[H])C1=C(Cl)C([H])=C([H])C([H])=C1Cl)C1=C([H])C(SC([H])([H])[H])=C([H])C([H])=C1[H]	5215
[H]N(C(=O)C1(C(=O)N([H])C2=C([H])C([H])([H])[C@]([H])(F)C([H])=C2[H])C([H])([H])C1([H])[H])C1=C([H])C(F)=C(OC2=C([H])C([H])=NC3=C([H])C(OC([H])([H])C([H])([H])C([H])([H])N4C([H])([H])C([H])([H])OC([H])([H])C4([H])[H])=C(OC([H])([H])[H])C([H])=C23)C([H])=C1[H]	7500
[H]OC1=C([H])C(O[H])=C2C(=O)C([H])=C(OC2=C1[C@@]1([H])C([H])([H])C([H])([H])N(C([H])([H])[H])C([H])([H])[C@@]1([H])O[H])C1=C(Cl)C([H])=C([H])C([H])=C1[H]	180
[H]N([H])C1=C(C2=NC3=C(N2[H])C([H])=C([H])C(=C3[H])N2C([H])([H])C([H])([H])N(C([H])([H])[H])C([H])([H])C2([H])[H])C(=O)N([H])C2=C([H])C([H])=C([H])C(F)=C12	2200
[H]N(C(=O)C1=C([H])C([H])=C([H])N=C1C([H])([H])[H])C1=C2N([H])C3=C(C([H])=C([H])N=C3[H])C2=C([H])C(Cl)=C1OC([H])([H])[H]	5250
[H]N([H])C1=C2C([H])=C(SC2=C(C([H])=N1)C(=O)N([H])C([H])([H])C([H])([H])[H])C1=C([H])C([H])=C(C([H])=C1[H])N1C([H])([H])C([H])([H])OC([H])([H])C1([H])[H]	1070
[H]N([H])C1=C2C([H])=C(SC2=C(C([H])=N1)C(=O)N([H])C1=C([H])C([H])=C([H])C([H])=C1[H])C1=C([H])C([H])=C(C([H])=C1[H])N1C([H])([H])C([H])([H])OC([H])([H])C1([H])[H]	1990
[H]N([H])C1=C2C([H])=C(SC2=C(C([H])=N1)C(=O)N([H])C([H])([H])C1=C([H])C([H])=C([H])C([H])=C1[H])C1=C([H])C([H])=C(C([H])=C1[H])N1C([H])([H])C([H])([H])OC([H])([H])C1([H])[H]	2600
[H]N([H])C1=C2C([H])=C(SC2=C(C([H])=N1)C(=O)N([H])C(C([H])([H])[H])(C([H])([H])[H])C([H])([H])[H])C1=C([H])C([H])=C(C([H])=C1[H])N1C([H])([H])C([H])([H])OC([H])([H])C1([H])[H]	6980
[H]N([H])C1=C2C([H])=C(SC2=C(C([H])=N1)C(=O)N(C([H])([H])[H])C([H])([H])[H])C1=C([H])C([H])=C(C([H])=C1[H])N1C([H])([H])C([H])([H])OC([H])([H])C1([H])[H]	5150
[H]N(C1=NC([H])=C2C(=O)N(C3=NC4=C(C([H])=C([H])C([H])=C4[H])N3C2=N1)C1=C(C([H])=C([H])C([H])=C1C([H])([H])[H])C([H])([H])[H])C1=C([H])C([H])=C(C([H])=C1[H])N1C([H])([H])C([H])([H])N(C([H])([H])[H])C([H])([H])C1([H])[H]	1200
[H]N(C1=NC2=C([H])N=C(N=C2N1C1([H])C([H])([H])C([H])([H])C([H])([H])C1([H])[H])N([H])C1=C([H])C([H])=C(C([H])=C1[H])N1C([H])([H])C([H])([H])N(C([H])([H])[H])C([H])([H])C1([H])[H])C1=C([H])C([H])=C([H])C([H])=C1[H]	6700
[H]N1C2=NC([H])=C([H])C(=N2)C2=C([H])C([H])=C(O2)C([H])([H])OC([H])([H])\C([H])=C([H])\C([H])([H])OC([H])([H])C2=C([H])C1=C([H])C([H])=C2[H]	670
[H]N1C2=NC([H])=C([H])C(=N2)C2=C([H])C([H])=C(O2)C([H])([H])OC([H])([H])\C([H])=C([H])\C([H])([H])N(C([H])([H])[H])C([H])([H])C2=C([H])C1=C([H])C([H])=C2OC([H])([H])C([H])([H])OC([H])([H])[H]	590
[H]N1C2=NC([H])=C([H])C(=N2)C2=C([H])C([H])=C(S2)C([H])([H])OC([H])([H])\C([H])=C([H])\C([H])([H])N(C([H])([H])[H])C([H])([H])C2=C([H])C1=C([H])C([H])=C2OC([H])([H])C([H])([H])OC([H])([H])[H]	33
[H]N1C2=NC([H])=C([H])C(=N2)C2=C([H])C([H])=C(S2)C([H])([H])OC([H])([H])\C([H])=C([H])\C([H])([H])OC([H])([H])C2=C([H])C1=C([H])C([H])=C2OC([H])([H])C([H])([H])N1C([H])([H])C([H])([H])C([H])([H])C1([H])[H]	32
[H]N1C2=NC([H])=C([H])C(=N2)C2=C([H])SC(=C2[H])C([H])([H])OC([H])([H])\C([H])=C([H])\C([H])([H])OC([H])([H])C2=C([H])C1=C([H])C([H])=C2OC([H])([H])C([H])([H])N1C([H])([H])C([H])([H])C([H])([H])C1([H])[H]	47
[H]N1C2=NC([H])=C([H])C(=N2)C2=C([H])C([H])=C(O2)C([H])([H])OC([H])([H])\C([H])=C([H])\C([H])([H])OC([H])([H])C2=C([H])C1=C([H])C([H])=C2OC([H])([H])C([H])([H])N1C([H])([H])C([H])([H])C([H])([H])C1([H])[H]	230
[H]N1C2=NC([H])=C([H])C(=N2)C2=C([H])OC(=C2[H])C([H])([H])OC([H])([H])\C([H])=C([H])\C([H])([H])OC([H])([H])C2=C([H])C1=C([H])C([H])=C2OC([H])([H])C([H])([H])N1C([H])([H])C([H])([H])C([H])([H])C1([H])[H]	120
[H]N1C2=NC([H])=C([H])C(=N2)C2=C([H])C(=C([H])O2)C([H])([H])OC([H])([H])\C([H])=C([H])\C([H])([H])OC([H])([H])C2=C([H])C1=C([H])C([H])=C2OC([H])([H])C([H])([H])N1C([H])([H])C([H])([H])C([H])([H])C1([H])[H]	310
[H]N([H])C1=NC2=C(N=C([H])C([H])=C2N1[H])C1=C([H])N=C2C([H])=C([H])C([H])=C([H])C2=C1[H]	290
[H]N1C2=NC([H])=C([H])C(=N2)C2=C([H])C3=C(C([H])=C([H])N3C([H])([H])C([H])([H])\C([H])=C([H])\C([H])([H])N(C([H])([H])[H])C([H])([H])C3=C([H])C1=C([H])C([H])=C3[H])C([H])=C2[H]	1500
[H]N1C2=NC([H])=C([H])C(=N2)C2=C([H])C3=C(C([H])=C([H])N3C([H])([H])\C([H])=C([H])\C([H])([H])OC([H])([H])C3=C([H])C1=C([H])C([H])=C3[H])C([H])=C2[H]	150
[H]N1C2=NC([H])=C([H])C(=N2)C2=C([H])C(OC([H])([H])C([H])([H])\C([H])=C([H])\C([H])([H])N(C([H])([H])[H])C([H])([H])C3=C([H])C1=C([H])C([H])=C3[H])=NC([H])=C2[H]	65
[H]N1C2=NC([H])=C([H])C(=N2)C2=C([H])C(=C([H])N=C2[H])C([H])([H])OC([H])([H])\C([H])=C([H])\C([H])([H])N(C([H])([H])[H])C([H])([H])C2=C([H])C1=C([H])C([H])=C2[H]	5900
[H]N1C2=NC([H])=C([H])C(=N2)C2=C([H])C(=C([H])N=C2[H])C([H])([H])OC([H])([H])\C([H])=C([H])\C([H])([H])OC([H])([H])C2=C([H])C1=C([H])C([H])=C2[H]	950
[H]N1C2=NC([H])=C([H])C(=N2)C2=C([H])C([H])=C(O2)C([H])([H])OC([H])([H])\C([H])=C([H])\C([H])([H])N(C([H])([H])[H])C([H])([H])C2=C([H])C1=C([H])C([H])=C2[H]	1500
[H]N1C2=NC([H])=C(C(=N2)C2=C([H])C3=C(C([H])=C([H])N3C([H])([H])\C([H])=C([H])\C([H])([H])OC([H])([H])C3=C([H])C1=C([H])C([H])=C3OC([H])([H])C([H])([H])N1C([H])([H])C([H])([H])C([H])([H])C1([H])[H])C([H])=C2[H])C([H])([H])[H]	440
[H]N1C2=NC([H])=C([H])C(=N2)C2=C([H])C(=C([H])N=C2[H])C([H])([H])OC([H])([H])\C([H])=C([H])\C([H])([H])OC([H])([H])C2=C([H])C1=C([H])C([H])=C2OC([H])([H])C([H])([H])N1C([H])([H])C([H])([H])C([H])([H])C1([H])[H]	630
[H]N1C2=NC([H])=C([H])C(=N2)C2=C([H])C(OC([H])([H])C([H])([H])\C([H])=C([H])\C([H])([H])OC([H])([H])C3=C([H])C1=C([H])C([H])=C3OC([H])([H])C([H])([H])N1C([H])([H])C([H])([H])C([H])([H])C1([H])[H])=NC([H])=C2[H]	30
[H]N1C2=NC([H])=C(C(=N2)C2=C([H])C(OC([H])([H])C([H])([H])\C([H])=C([H])\C([H])([H])OC([H])([H])C3=C([H])C1=C([H])C([H])=C3OC([H])([H])C([H])([H])N1C([H])([H])C([H])([H])C([H])([H])C1([H])[H])=NC([H])=C2[H])C([H])([H])[H]	72
[H]N1C2=NC([H])=C([H])C(=N2)C2=C([H])C([H])=C(O2)C([H])([H])OC([H])([H])\C([H])=C([H])\C([H])([H])N(C([H])([H])[H])C([H])([H])C2=C([H])C1=C([H])C([H])=C2OC([H])([H])C([H])([H])N1C([H])([H])C([H])([H])C([H])([H])C1([H])[H]	710
[H]N1C2=NC([H])=C([H])C(=N2)C2=C([H])C([H])=C(S2)C([H])([H])OC([H])([H])\C([H])=C([H])\C([H])([H])N(C([H])([H])[H])C([H])([H])C2=C([H])C1=C([H])C([H])=C2OC([H])([H])C([H])([H])N1C([H])([H])C([H])([H])C([H])([H])C1([H])[H]	41
[H]O[C@]1([H])C([H])([H])C([H])([H])C([H])([H])[C@@]([H])(N2C(=NC3=C([H])N=C4N([H])C([H])=C([H])C4=C23)C([H])([H])[H])C1([H])[H]	6.2
[H]OC1=C2C(=C([H])C(OC([H])([H])[H])=C1[H])C([H])([H])C([H])([H])C([H])([H])[C@]([H])(O[H])[C@]([H])(O[H])C(=O)\C([H])=C([H])/C([H])([H])[C@@]([H])(OC2=O)C([H])([H])[H]	4100
C1CCC(CC1)C1=CC=C2C=NC3=C(C=CN3)N12	4800
C1CCC(CC1)C1=NN=C2C=NC3=C(C=CN3)N12	1200
C1CCC(CC1)N1CCCC2=CN=C3NC=CC3=C12	530
C1CCC(CC1)C1=NOC2=CN=C3NC=CC3=C12	60
CN1N=C(C2CCCCC2)C2=C3C=CNC3=NC=C12	300
C1CCC(CC1)C1=NNC2=CN=C3NC=CC3=C12	50
CC(C)(C)[C@@H](NC(=O)C1=CNC2=NC=C(N=C12)C1CC1)C(=O)N1CC(C1)C#N	16