smile	binding.affinity
[H]N([H])C1=NC2=C(C(\C([H])=C(\C3=C(OC([H])([H])[H])C([H])=C([H])C([H])=C3[H])C([H])([H])[H])=C([H])O2)C(=N1)N([H])[H]	9200
[H]N([H])C1=NC2=C(C(\C([H])=C(/C3=C([H])C([H])=C([H])C([H])=C3OC([H])([H])[H])C([H])([H])C([H])([H])C([H])([H])[H])=C([H])O2)C(=N1)N([H])[H]	7920
[H]N([H])C1=NC2=C(C(\C([H])=C(/C3=C([H])C([H])=C([H])C([H])=C3OC([H])([H])[H])C([H])(C([H])([H])[H])C([H])([H])[H])=C([H])O2)C(=N1)N([H])[H]	4140
[H]N([H])C1=NC2=C(C(\C([H])=C(/C3=C([H])C([H])=C([H])C([H])=C3OC([H])([H])[H])[C@]([H])(C([H])([H])[H])C([H])([H])C([H])([H])[H])=C([H])O2)C(=N1)N([H])[H]	4200
[H]N([H])C1=NC2=C(C(=C([H])O2)C([H])([H])[C@@]([H])(C2=C([H])C([H])=C([H])C([H])=C2OC([H])([H])[H])C([H])(C([H])([H])[H])C([H])([H])[H])C(=N1)N([H])[H]	3200
[H]OC(=O)C([H])([H])C([H])([H])[C@@]([H])(N([H])C(=O)C1=C([H])C([H])=C(C([H])=C1[H])[C@]([H])(C([H])([H])C1=NC2=C(N=C(N=C2N=C1[H])N([H])[H])N([H])[H])C([H])([H])C([H])([H])[H])C(=O)O[H]	0.0048
[H]OC(=O)C([H])([H])C([H])([H])[C@@]([H])(N([H])C(=O)C1=C([H])C([H])=C(C([H])=C1[H])N(C([H])([H])C#C[H])C([H])([H])C1=C(C2=C(N=C1[H])N=C(N=C2N([H])[H])N([H])[H])C([H])([H])[H])C(=O)O[H]	0.00687
[H]OC(=O)C([H])([H])C([H])([H])[C@@]([H])(N([H])C(=O)C1=C([H])C([H])=C(C([H])=C1[H])N(C([H])([H])C#C[H])C([H])([H])C1=C([H])C2=C(N=C1[H])N=C(N=C2N([H])[H])N([H])[H])C(=O)O[H]	0.00585
[H]OC(=O)C([H])([H])C([H])([H])[C@@]([H])(N([H])C(=O)C1=C([H])C([H])=C(C([H])=C1[H])[C@@]([H])(C([H])([H])[H])C([H])([H])C1=C([H])C2=C(N=C(N=C2N=C1[H])N([H])[H])N([H])[H])C(=O)O[H]	0.007
[H]OC(=O)C([H])([H])C([H])([H])[C@@]([H])(N([H])C(=O)C1=C([H])C([H])=C(C([H])=C1[H])[C@@]([H])(C([H])([H])C([H])([H])[H])C([H])([H])[C@@]1([H])C([H])([H])N([H])C2=NC(=NC(O[H])=C2C1([H])[H])N([H])[H])C(=O)O[H]	1000
[H]OC(=O)C([H])([H])C([H])([H])[C@@]([H])(N([H])C(=O)C1=C([H])C([H])=C(N([H])C([H])([H])[C@@]2([H])C([H])([H])C3=C(N=C(N=C3O[H])N([H])[H])C([H])([H])C2([H])[H])C([H])=C1[H])C(=O)O[H]	1000
[H]OC(=O)C([H])([H])C([H])([H])[C@@]([H])(N([H])C(=O)C1=C([H])C([H])=C(C([H])=C1[H])[C@@]([H])(C([H])([H])[H])C([H])([H])[C@]1([H])C([H])([H])N([H])C2=NC(=NC(O[H])=C2C1([H])[H])N([H])[H])C(=O)O[H]	1000
[H]OC(=O)C([H])([H])C([H])([H])[C@@]([H])(N([H])C(=O)C1=C([H])C([H])=C(C([H])=C1[H])[C@]([H])(C([H])([H])C1=C([H])C2=C(N=C(N=C2N=C1[H])N([H])[H])N([H])[H])C([H])([H])C([H])([H])[H])C(=O)O[H]	0.013
[H]OC(=O)C([H])([H])C([H])([H])[C@]([H])(N([H])C(=O)C1=C([H])C([H])=C(C([H])=C1[H])N(C([H])([H])[H])C([H])([H])C1=NC2=C(N=C1[H])N=C(N=C2N([H])[H])N([H])[H])C(=O)O[H]	12.502725
[H]OC(=O)C([H])([H])C([H])([H])[C@@]([H])(N([H])C(=O)C1=C([H])C([H])=C(C([H])=C1[H])C([H])([H])[C@]([H])(C1=NC2=C(N=C(N=C2N=C1[H])N([H])[H])N([H])[H])C([H])([H])C([H])([H])[H])C(=O)O[H]	4100.00275
[H]OC(=O)C([H])([H])C([H])([H])[C@@]([H])(N([H])C(=O)C1=C([H])C([H])=C(C([H])=C1[H])C([H])([H])[C@]([H])(C1=NC2=C(N=C(N=C2N=C1[H])N([H])[H])N([H])[H])C([H])([H])[H])C(=O)O[H]	1500.0026
[H]OC(=O)C([H])([H])C([H])([H])[C@@]([H])(N([H])C(=O)C1=C([H])C([H])=C(C([H])=C1[H])[C@@]1([H])C([H])([H])C2=C(C3=C(N=C(N=C3N=C2[H])N([H])[H])N([H])[H])C([H])([H])C1([H])[H])C(=O)O[H]	0.017
[H]OC(=O)[C@]([H])(N([H])C(=O)C1=C([H])C([H])=C(C([H])=C1[H])N(C([H])=O)C([H])([H])C1=NC2=C(N=C(N=C2N=C1[H])N([H])[H])N([H])[H])C([H])([H])C([H])([H])C([H])([H])N([H])C(=O)C1=C([H])C([H])=C([H])C([H])=C1[H]	34
[H]OC(=O)C1=C([H])C([H])=C([H])C([H])=C1C(=O)N([H])C([H])([H])C([H])([H])C([H])([H])[C@@]([H])(N([H])C(=O)C1=C([H])C([H])=C(N([H])C([H])([H])C2=NC3=C(N=C(N=C3N=C2[H])N([H])[H])N([H])[H])C([H])=C1[H])C(=O)O[H]	32.4855
[H]OC(=O)[C@]([H])(N([H])C(=O)C1=C([H])C([H])=C(N([H])C([H])([H])C2=NC3=C(N=C(N=C3N=C2[H])N([H])[H])N([H])[H])C([H])=C1[H])C([H])([H])C([H])([H])C([H])([H])N([H])C(=O)C([H])([H])[H]	28
[H]OC(=O)[C@]([H])(N([H])C(=O)C1=C([H])C([H])=C(N([H])C([H])([H])C2=NC3=C(N=C(N=C3N=C2[H])N([H])[H])N([H])[H])C([H])=C1[H])C([H])([H])C([H])([H])C([H])([H])N([H])[H]	72
[H]OC(=O)[C@]([H])(N([H])C(=O)C1=C([H])C([H])=C(N([H])C([H])([H])C2=NC3=C(N=C(N=C3N=C2[H])N([H])[H])N([H])[H])C([H])=C1[H])C([H])([H])C([H])([H])C([H])([H])N([H])C(=O)C1=C([H])C([H])=C(Cl)C(Cl)=C1[H]	45
[H]OC(=O)[C@]([H])(N([H])C(=O)C1=C([H])C([H])=C(C([H])=C1[H])N(C([H])=O)C([H])([H])C1=NC2=C(N=C(N=C2N=C1[H])N([H])[H])N([H])[H])C([H])([H])C([H])([H])C([H])([H])N([H])C(=O)C1=C([H])C([H])=C(Cl)C(Cl)=C1[H]	56
[H]OC(=O)[C@]([H])(N([H])C(=O)C1=C([H])C([H])=C(N([H])C([H])([H])C2=NC3=C(N=C(N=C3N=C2[H])N([H])[H])N([H])[H])C([H])=C1[H])C([H])([H])C([H])([H])C([H])([H])N([H])C(=O)C1=C([H])C([H])=C(Cl)C([H])=C1[H]	28
[H]OC(=O)[C@]([H])(N([H])C(=O)C1=C([H])C([H])=C(C([H])=C1[H])N(C([H])=O)C([H])([H])C1=NC2=C(N=C(N=C2N=C1[H])N([H])[H])N([H])[H])C([H])([H])C([H])([H])C([H])([H])N([H])C(=O)C([H])([H])[H]	53
[H]OC(=O)C([H])([H])C([H])([H])C(=O)N([H])C([H])([H])C([H])([H])C([H])([H])[C@@]([H])(N([H])C(=O)C1=C([H])C([H])=C(N([H])C([H])([H])C2=NC3=C(N=C(N=C3N=C2[H])N([H])[H])N([H])[H])C([H])=C1[H])C(=O)O[H]	32
[H]OC(=O)C([H])([H])C([H])([H])[C@]([H])(N([H])C(=O)C1=C([H])C([H])=C(N([H])C([H])([H])C2=NC3=C(N=C(N=C3N=C2[H])N([H])[H])N([H])[H])C([H])=C1[H])C(=O)O[H]	15.001775
[H]OC(=O)[C@]([H])(N([H])C(=O)C1=C([H])C([H])=C(N([H])C([H])([H])C2=NC3=C(N=C(N=C3N=C2[H])N([H])[H])N([H])[H])C([H])=C1[H])C([H])([H])C([H])([H])C([H])([H])N([H])C(=O)C1=C([H])C([H])=C([H])C([H])=C1[H]	27
[H]OC(=O)[C@]([H])(N([H])C(=O)C1=C([H])C([H])=C(C([H])=C1[H])N(C([H])=O)C([H])([H])C1=NC2=C(N=C(N=C2N=C1[H])N([H])[H])N([H])[H])C([H])([H])C([H])([H])C([H])([H])N([H])C(=O)C1=C([H])C([H])=C(Cl)C([H])=C1[H]	15
[H]OC(=O)C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[C@@]([H])(N([H])C(=O)C1=C([H])C([H])=C(C([H])=C1[H])N(C([H])([H])[H])C([H])([H])C1=NC2=C(N=C(N=C2N=C1[H])N([H])[H])N([H])[H])C(=O)O[H]	29
[H]OC(=O)C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[C@@]([H])(N([H])C(=O)C1=C([H])C([H])=C(N([H])C([H])([H])C2=NC3=C(N=C(N=C3N=C2[H])N([H])[H])N([H])[H])C([H])=C1[H])C(=O)O[H]	81
[H]OC(=O)C([H])([H])C([H])([H])[C@@]([H])(N([H])C(=O)C([H])([H])C([H])([H])C([H])([H])N([H])C(=O)C1=C([H])C([H])=C(C([H])=C1[H])N(C([H])([H])[H])C([H])([H])C1=NC2=C(N=C(N=C2N=C1[H])N([H])[H])N([H])[H])C(=O)O[H]	310
[H]OC(=O)C([H])([H])C([H])([H])[C@@]([H])(N([H])C(=O)C1=C([H])C([H])=C(N([H])C([H])([H])C2=C(C3=C(N=C2[H])N=C(N=C3N([H])[H])N([H])[H])C([H])([H])[H])C([H])=C1[H])C(=O)O[H]	0.001465002615
[H]OC(=O)C([H])([H])C([H])([H])[C@@]([H])(N([H])C(=O)C1=C([H])C([H])=C(N([H])C([H])([H])C2=C([H])C3=C(N=C(N=C3N=C2C2=C([H])C([H])=C([H])C([H])=C2[H])N([H])[H])N([H])[H])C([H])=C1[H])C(=O)O[H]	0.004
[H]N([H])C1=NC2=C(C([H])=C([H])N2[H])C(=O)N1[H]	560
[H]OC(=O)C([H])([H])C([H])([H])[C@@]([H])(N([H])C(=O)C1=C([H])C([H])=C(C([H])=C1[H])C([H])([H])C([H])([H])[C@]1([H])C2=C(N=C(N=C2N([H])[H])N([H])[H])C([H])([H])C1([H])[H])C(=O)O[H]	72
[H]OC(=O)C([H])([H])C([H])([H])[C@@]([H])(N([H])C(=O)C1=C([H])C([H])=C(C([H])=C1[H])C([H])([H])C([H])([H])C([H])([H])[C@]1([H])C2=C(N=C(N=C2N([H])[H])N([H])[H])C([H])([H])C1([H])[H])C(=O)O[H]	7.1
[H]OC(=O)C([H])([H])C([H])([H])[C@@]([H])(N([H])C(=O)C1=C([H])C([H])=C(C([H])=C1[H])C([H])([H])C([H])([H])[C@]1([H])C2=C(N=C(N=C2O[H])N([H])[H])C([H])([H])C1([H])[H])C(=O)O[H]	2.1
[H]OC(=O)C([H])([H])C([H])([H])[C@@]([H])(N([H])C(=O)C1=C([H])C([H])=C(C([H])=C1[H])C([H])([H])C([H])([H])C([H])([H])[C@]1([H])C2=C(N=C(N=C2O[H])N([H])[H])C([H])([H])C1([H])[H])C(=O)O[H]	60
[H]OC(=O)C([H])([H])C([H])([H])[C@@]([H])(N([H])C(=O)C1=C([H])C([H])=C(N(C([H])([H])C#C[H])C([H])([H])C2=C([H])C([H])=C3N=C(N=C(O[H])C3=C2[H])N([H])[H])C(Cl)=C1[H])C(=O)O[H]	3000
[H]OC(=O)C([H])([H])C([H])([H])[C@@]([H])(N([H])C(=O)C1=C([H])C(Cl)=C(N(C([H])([H])C#C[H])C([H])([H])C2=C([H])C([H])=C3N=C(N=C(O[H])C3=C2[H])N([H])[H])C(Cl)=C1[H])C(=O)O[H]	3000
[H]OC(=O)C([H])([H])C([H])([H])[C@@]([H])(N([H])C(=O)C1=C([H])C([H])=C(C([H])=C1[H])N(C([H])([H])C#C[H])C([H])([H])C1=C([H])C2=C(N([H])C(=NC2=O)N([H])[H])C([H])=C1[H])C(=O)O[H]	3407
[H]OC(=O)C([H])([H])C([H])([H])[C@@]([H])(N([H])C(=O)C1=C([H])C([H])=C(C([H])=C1[H])C([H])([H])C([H])([H])C1=C(C2=C(O[H])N=C(N=C2N=C1[H])N([H])[H])C([H])([H])[H])C(=O)O[H]	1
[H]OC(=O)C([H])([H])C([H])([H])[C@@]([H])(N([H])C(=O)C1=C([H])C([H])=C(C([H])=C1[H])C([H])([H])C([H])([H])[C@@]1([H])C([H])([H])N([H])C2=NC(=NC(O[H])=C2[C@]1([H])C([H])([H])C([H])([H])[H])N([H])[H])C(=O)O[H]	1
[H]OC(=O)C([H])([H])C([H])([H])[C@@]([H])(N([H])C(=O)C1=C([H])C([H])=C(C([H])=C1[H])C([H])([H])C([H])([H])[C@@]1([H])C([H])([H])N([H])C2=NC(=NC(O[H])=C2[C@]1([H])C([H])([H])[H])N([H])[H])C(=O)O[H]	1
[H]OC(=O)C([H])([H])C([H])([H])[C@@]([H])(N([H])C(=O)C1=C([H])C([H])=C(N([H])C([H])([H])C2=C([H])C3=C(N=C(N=C3N=C2C([H])([H])[H])N([H])[H])N([H])[H])C([H])=C1[H])C(=O)O[H]	0.004
[H]OC(=O)C([H])([H])C([H])([H])[C@@]([H])(N([H])C(=O)C1=C([H])C([H])=C(N([H])C([H])([H])C2=C(C3=C([H])C([H])=C([H])C([H])=C3[H])C3=C(N=C(N=C3N=C2C([H])([H])[H])N([H])[H])N([H])[H])C([H])=C1[H])C(=O)O[H]	0.004
[H]OC(=O)C([H])([H])C([H])([H])[C@@]([H])(N([H])C(=O)C1=C([H])C([H])=C(N([H])C([H])([H])C2=C(C3=C(N=C(N=C3N=C2C2=C([H])C([H])=C([H])C([H])=C2[H])N([H])[H])N([H])[H])C([H])([H])[H])C([H])=C1[H])C(=O)O[H]	0.004
[H]OC(=O)C([H])([H])C([H])([H])[C@@]([H])(N([H])C(=O)C1=C([H])C([H])=C(N([H])C([H])([H])C2=C(C3=C(N=C(N=C3N=C2C([H])([H])[H])N([H])[H])N([H])[H])C([H])([H])[H])C([H])=C1[H])C(=O)O[H]	0.00201
[H]N([H])C1=NC(N([H])[H])=C2N=C(C([H])=NC2=N1)C([H])([H])N(C1=C([H])C([H])=C(C([H])=C1[H])C(=O)N([H])[C@@]([H])(C(=O)OC([H])([H])C([H])([H])[H])C([H])([H])N([H])C(=O)N(N=O)C([H])([H])[H])C([H])([H])[H]	6.35
[H]OC(=O)[C@]([H])(N([H])C(=O)C1=C([H])C([H])=C(C([H])=C1[H])N(C([H])([H])[H])C([H])([H])C1=NC2=C(N=C(N=C2N=C1[H])N([H])[H])N([H])[H])C([H])([H])C([H])([H])C([H])([H])N([H])C(=O)C1=C([H])C([H])=C(Cl)C([H])=C1[H]	0.00531
[H]OC(=O)[C@]([H])(N([H])C(=O)C1=C([H])C([H])=C(C([H])=C1[H])N(C([H])([H])[H])C([H])([H])C1=NC2=C(N=C(N=C2N=C1[H])N([H])[H])N([H])[H])C([H])([H])N([H])C(=O)N([H])[H]	35
[H]OC(=O)[C@]([H])(N([H])C(=O)C1=C([H])C([H])=C(C([H])=C1[H])N(C([H])([H])[H])C([H])([H])C1=NC2=C(N=C(N=C2N=C1[H])N([H])[H])N([H])[H])C([H])([H])N([H])C(=O)N([H])C([H])([H])[H]	14.2
[H]OC(=O)[C@]([H])(N([H])C(=O)C1=C([H])C([H])=C(C([H])=C1[H])N(C([H])([H])[H])C([H])([H])C1=NC2=C(N=C(N=C2N=C1[H])N([H])[H])N([H])[H])C([H])([H])C([H])([H])N([H])C(=O)N([H])[H]	0.004
[H]OC(=O)C([H])([H])C([H])([H])[C@@]([H])(N([H])C(=O)N([H])C([H])([H])[C@@]([H])(N([H])C(=O)C1=C([H])C([H])=C(C([H])=C1[H])N(C([H])([H])[H])C([H])([H])C1=NC2=C(N=C(N=C2N=C1[H])N([H])[H])N([H])[H])C(=O)O[H])C(=O)O[H]	0.00471
[H]OC(=O)[C@]([H])(N([H])C(=O)C1=C([H])C([H])=C(C([H])=C1[H])N(C([H])([H])[H])C([H])([H])C1=NC2=C(N=C(N=C2N=C1[H])N([H])[H])N([H])[H])C([H])([H])C([H])([H])N([H])C(=O)C1=C([H])C([H])=C(Cl)C([H])=C1[H]	0.00642
[H]N([H])C1=NC(N([H])[H])=C2N=C(C([H])=NC2=N1)C([H])([H])N(C1=C([H])C([H])=C(C([H])=C1[H])C(=O)N([H])[C@@]([H])(C(=O)OC([H])([H])C([H])([H])[H])C([H])([H])N([H])C(=O)N(N=O)C([H])([H])C([H])([H])Cl)C([H])([H])[H]	3.24
[H]OC(=O)[C@]([H])(N([H])C(=O)C1=C([H])C([H])=C(C([H])=C1[H])N(C([H])([H])[H])C([H])([H])C1=NC2=C(N=C(N=C2N=C1[H])N([H])[H])N([H])[H])C([H])([H])N([H])C(=O)C1=C([H])C([H])=C(Cl)C([H])=C1[H]	0.00498
[H]OC(=O)[C@]([H])(N([H])C(=O)C1=C([H])C([H])=C(N([H])C([H])([H])C2=NC3=C(N=C(N=C3N=C2[H])N([H])[H])N([H])[H])C([H])=C1[H])C([H])([H])C([H])([H])P(=O)(O[H])O[H]	63
[H]OC(=O)[C@]([H])(N([H])C(=O)C1=C([H])C([H])=C(N([H])C([H])([H])C2=NC3=C(N=C(N=C3N=C2[H])N([H])[H])N([H])[H])C([H])=C1[H])C([H])([H])C([H])([H])C([H])([H])P(=O)(O[H])O[H]	83
[H]OC(=O)[C@]([H])(N([H])C(=O)C1=C([H])C([H])=C(N([H])C([H])([H])C2=NC3=C(N=C(N=C3N=C2[H])N([H])[H])N([H])[H])C([H])=C1[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])P(=O)(O[H])O[H]	67
[H]OC(=O)[C@@]([H])(N([H])C(=O)C1=C([H])C([H])=C(N([H])C([H])([H])C2=NC3=C(N=C(N=C3N=C2[H])N([H])[H])N([H])[H])C([H])=C1[H])C([H])([H])P(=O)(O[H])O[H]	550
[H]OC(=O)[C@]([H])(N([H])C(=O)C1=C([H])C([H])=C(C([H])=C1[H])N(C([H])([H])[H])C([H])([H])C1=NC2=C(N=C(N=C2N=C1[H])N([H])[H])N([H])[H])C([H])([H])C([H])([H])C(=O)N([H])[C@@]([H])(C(=O)N([H])[C@@]([H])(C(=O)N([H])[C@@]([H])(C(=O)O[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])N([H])[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])N([H])[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])N([H])[H]	140
[H]OC(=O)[C@]([H])(N([H])C(=O)C1=C([H])C([H])=C(C([H])=C1[H])N(C([H])([H])[H])C([H])([H])C1=NC2=C(N=C(N=C2N=C1[H])N([H])[H])N([H])[H])C([H])([H])C([H])([H])C(=O)N([H])[C@@]([H])(C(=O)N([H])[C@@]([H])(C(=O)O[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])N([H])[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])N([H])[H]	86
[H]OC(=O)[C@]([H])(N([H])C(=O)C1=C([H])C([H])=C(C([H])=C1[H])N(C([H])([H])[H])C([H])([H])C1=NC2=C(N=C(N=C2N=C1[H])N([H])[H])N([H])[H])C([H])([H])C([H])([H])C(=O)N([H])[C@@]([H])(C(=O)O[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])N([H])[H]	87
[H]OC(=O)C([H])([H])C([H])([H])[C@@]([H])(N([H])C(=O)C1=C([H])C([H])=C(C([H])=C1[H])C([H])([H])C([H])([H])C1=C(C2=C(N=C(N=C2N=C1[H])N([H])[H])N([H])[H])C([H])([H])[H])C(=O)O[H]	0.0283
[H]OC(=O)[C@]([H])(N([H])C(=O)C1=C([H])C([H])=C(C([H])=C1[H])N(C([H])([H])[H])C([H])([H])C1=NC2=C(N=C(N=C2N=C1[H])N([H])[H])N([H])[H])C([H])([H])C([H])([H])C(=O)N([H])C([H])([H])C1=C([H])C([H])=C([H])C([H])=C1[H]	0.0036
[H]OC(=O)C([H])([H])C([H])([H])[C@@]([H])(N([H])C(=O)C1=C([H])C([H])=C(C([H])=C1[H])N(C([H])([H])[H])C([H])([H])C1=NC2=C(N=C1[H])N=C(N=C2N([H])[H])N([H])[H])C(=O)N([H])[H]	460
[H]OC(=O)[C@]([H])(N([H])C(=O)C1=C([H])C([H])=C(C([H])=C1[H])N(C([H])([H])[H])C([H])([H])C1=NC2=C(N=C1[H])N=C(N=C2N([H])[H])N([H])[H])C([H])([H])C([H])([H])C(=O)N([H])[H]	0.0027
[H]OC(=O)C([H])([H])C([H])([H])[C@]([H])(N([H])C(=O)[C@]([H])(N([H])C(=O)C1=C([H])C([H])=C(C([H])=C1[H])N(C([H])([H])[H])C([H])([H])C1=C([H])N=C2N=C(N=C(N([H])[H])C2=N1)N([H])[H])C([H])([H])C([H])([H])C(=O)O[H])C(=O)O[H]	170.1
[H]OC(=O)[C@]([H])(N([H])C(=O)C1=C([H])C([H])=C(C([H])=C1[H])N(C([H])([H])[H])C([H])([H])C1=NC2=C(N=C1[H])N=C(N=C2N([H])[H])N([H])[H])C([H])([H])C([H])([H])C(=O)N([H])C([H])([H])[H]	0.0033
[H]OC(=O)C([H])([H])C([H])([H])[C@]([H])(N([H])C(=O)C([H])([H])C([H])([H])[C@@]([H])(N([H])C(=O)C1=C([H])C([H])=C(C([H])=C1[H])N(C([H])([H])[H])C([H])([H])C1=C([H])N=C2N=C(N=C(N([H])[H])C2=N1)N([H])[H])C(=O)O[H])C(=O)O[H]	0.0037
[H]OC(=O)C([H])([H])N([H])C(=O)C([H])([H])C([H])([H])[C@@]([H])(N([H])C(=O)C1=C([H])C([H])=C(C([H])=C1[H])N(C([H])([H])[H])C([H])([H])C1=NC2=C(N=C1[H])N=C(N=C2N([H])[H])N([H])[H])C(=O)O[H]	0.0029
[H]OC(=O)C([H])([H])N([H])C(=O)[C@]([H])(N([H])C(=O)C1=C([H])C([H])=C(C([H])=C1[H])N(C([H])([H])[H])C([H])([H])C1=NC2=C(N=C1[H])N=C(N=C2N([H])[H])N([H])[H])C([H])([H])C([H])([H])C(=O)O[H]	208.2
[H]OC(=O)[C@]([H])(N([H])C(=O)C1=C([H])C([H])=C(C([H])=C1[H])N(C([H])([H])[H])C([H])([H])C1=NC2=C(N=C1[H])N=C(N=C2N([H])[H])N([H])[H])C([H])([H])C([H])([H])C(=O)N([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H]	0.0035
[H]OC(=O)C([H])([H])C([H])([H])[C@@]([H])(N([H])C(=O)C1=C([H])C([H])=C(C([H])=C1[H])N(C([H])([H])[H])C([H])([H])C1=C([H])N=C2N=C(N=C(N([H])[H])C2=N1)N([H])[H])C(=O)N([H])[C@]([H])(C(=O)O[H])C([H])([H])C(=O)O[H]	208.4
[H]OC(=O)C([H])([H])[C@]([H])(N([H])C(=O)C([H])([H])C([H])([H])[C@@]([H])(N([H])C(=O)C1=C([H])C([H])=C(C([H])=C1[H])N(C([H])([H])[H])C([H])([H])C1=C([H])N=C2N=C(N=C(N([H])[H])C2=N1)N([H])[H])C(=O)O[H])C(=O)O[H]	0.0028
[H]OC(=O)C([H])([H])C([H])([H])[C@@]([H])(N([H])C(=O)C1=C([H])C([H])=C(C([H])=C1[H])[C@@]([H])(C([H])([H])[H])C([H])([H])C1=NC2=C(N=C(N=C2N=C1[H])N([H])[H])N([H])[H])C(=O)O[H]	0.00325
[H]OC(=O)C([H])([H])C([H])([H])[C@@]([H])(N([H])C(=O)C1=C([H])C([H])=C(C([H])=C1[H])[C@]([H])(C([H])([H])C1=NC2=C(N=C1[H])N=C(N=C2N([H])[H])N([H])[H])C([H])([H])C([H])([H])C([H])([H])[H])C(=O)O[H]	0.0092
[H]OC(=O)C([H])([H])C([H])([H])[C@@]([H])(N([H])C(=O)C1=C([H])C([H])=C(C([H])=C1[H])[C@@]([H])(C([H])([H])C#C[H])C([H])([H])C1=NC2=C(N=C(N=C2N=C1[H])N([H])[H])N([H])[H])C(=O)O[H]	0.0182
[H]OC(=O)C([H])([H])C([H])([H])[C@@]([H])(N([H])C(=O)C1=C([H])C([H])=C(C([H])=C1[H])[C@]([H])(C([H])([H])C1=NC2=C(N=C1[H])N=C(N=C2N([H])[H])N([H])[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])C(=O)O[H]	1
[H]OC(=O)C([H])([H])C([H])([H])[C@@]([H])(N([H])C(=O)C1=C([H])C([H])=C(N(C([H])([H])[H])C([H])([H])C2=NC3=C(N=C(N=C3N=C2[H])N([H])[H])N([H])[H])C2=C([H])C([H])=C([H])C([H])=C12)C(=O)O[H]	0.00522
[H]OC(=O)C([H])([H])C([H])([H])[C@@]([H])(N([H])C(=O)C1=C([H])C([H])=C(N([H])C([H])([H])C2=C(C3=C(N=C(N=C3N=C2[H])N([H])[H])N([H])[H])C([H])([H])[H])C2=C([H])C([H])=C([H])C([H])=C12)C(=O)O[H]	0.00508
[H]OC(=O)C([H])([H])C([H])([H])[C@@]([H])(N([H])C(=O)C1=C([H])C([H])=C(N(C([H])([H])[H])C([H])([H])C2=C([H])C3=C(N=C(N=C3N=C2[H])N([H])[H])N([H])[H])C2=C([H])C([H])=C([H])C([H])=C12)C(=O)O[H]	0.00465
[H]OC(=O)C([H])([H])C([H])([H])[C@@]([H])(N([H])C(=O)C1=C([H])C([H])=C(N([H])C([H])([H])C2=C([H])C3=C(N=C(N=C3N=C2[H])N([H])[H])N([H])[H])C2=C([H])C([H])=C([H])C([H])=C12)C(=O)O[H]	0.00365
[H]OC(=O)C([H])([H])C([H])([H])[C@@]([H])(N([H])C(=O)C1=C([H])C([H])=C(N([H])C([H])([H])C2=NC3=C(N=C(N=C3N=C2[H])N([H])[H])N([H])[H])C2=C([H])C([H])=C([H])C([H])=C12)C(=O)O[H]	0.00455
[H]OC(=O)C([H])([H])C([H])([H])[C@@]([H])(N([H])C(=O)C1=C([H])C([H])=C(N([H])C([H])([H])C2=C([H])C3=C(N=C(N=C3N=C2[H])N([H])[H])N([H])[H])C2=C1C([H])([H])C([H])([H])C([H])([H])C2([H])[H])C(=O)O[H]	0.0131
[H]OC(=O)C([H])([H])C([H])([H])[C@@]([H])(N([H])C(=O)C1=C([H])C([H])=C(N(C([H])([H])[H])C([H])([H])C2=C(C3=C(N=C(N=C3N=C2[H])N([H])[H])N([H])[H])C([H])([H])[H])C2=C([H])C([H])=C([H])C([H])=C12)C(=O)O[H]	0.00484
[H]OC(=O)C([H])([H])C([H])([H])[C@@]([H])(N([H])C(=O)C1=C([H])C([H])=C(N([H])C([H])([H])C2=C([H])C3=C(N=C(N=C3C([H])=C2[H])N([H])[H])N([H])[H])C2=C([H])C([H])=C([H])C([H])=C12)C(=O)O[H]	0.0052
[H]OC(=O)[C@]([H])(N([H])C(=O)C1=C([H])C([H])=C(C([H])=C1[H])N(C([H])([H])[H])C([H])([H])C1=NC2=C(N=C1[H])N=C(N=C2N([H])[H])N([H])[H])C([H])([H])C1=C([H])N([H])C([H])=N1	1300
[H]OC(=O)C([H])([H])N1C([H])=NC(=C1[H])C([H])([H])[C@@]([H])(N([H])C(=O)C1=C([H])C([H])=C(C([H])=C1[H])N(C([H])([H])[H])C([H])([H])C1=NC2=C(N=C1[H])N=C(N=C2N([H])[H])N([H])[H])C(=O)O[H]	370
[H]OC(=O)C([H])([H])C([H])([H])[C@@]([H])(N([H])C(=O)C1=C([H])C([H])=C(C([H])=C1[H])C(C([H])([H])[H])(C([H])([H])[H])C([H])([H])C1=NC2=C(N=C(N=C2N=C1[H])N([H])[H])N([H])[H])C(=O)O[H]	0.0026
[H]OC(=O)C([H])([H])C([H])([H])[C@@]([H])(N([H])C(=O)C1=C([H])C([H])=C(C([H])=C1[H])N(C([H])([H])C#C[H])C([H])([H])C1=NC2=C(N=C(N=C2N=C1[H])N([H])[H])N([H])[H])C(=O)O[H]	0.5
[H]OC(=O)C([H])([H])C([H])([H])[C@@]([H])(N([H])C(=O)C1=C([H])C([H])=C(C([H])=C1[H])N(C([H])([H])C1=NC2=C(N=C(N=C2N=C1[H])N([H])[H])N([H])[H])C([H])([H])C([H])([H])C([H])([H])[H])C(=O)O[H]	0.003
[H]OC(=O)C([H])([H])C([H])([H])[C@@]([H])(N([H])C(=O)C1=C([H])C([H])=C(C([H])=C1[H])N(C([H])([H])C1=NC2=C(N=C(N=C2N=C1[H])N([H])[H])N([H])[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])C(=O)O[H]	17.5
[H]N([H])C1=NC(N([H])[H])=C2C(=N1)C([H])=C([H])C(=C2C([H])([H])[H])C([H])([H])N([H])C1=C([H])C(OC([H])([H])[H])=C(OC([H])([H])[H])C(OC([H])([H])[H])=C1[H]	0.435
[H]OC(=O)C([H])(N([H])C(=O)C1=C([H])C([H])=C(C([H])=C1[H])N(C([H])([H])[H])C([H])([H])C1=NC2=C(N=C(N=C2N=C1[H])N([H])[H])N([H])[H])C([H])([H])C([H])([H])C(=O)N([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])N([H])C(=O)C([H])([H])C([H])([H])C([H])(N([H])C(=O)C1=C([H])C([H])=C(C([H])=C1[H])N(C([H])([H])[H])C([H])([H])C1=NC2=C(N=C(N=C2N=C1[H])N([H])[H])N([H])[H])C(=O)O[H]	106.009
[H]OC(=O)C([H])([H])[C@]([H])(N([H])C(=O)C1=C([H])C([H])=C(C([H])=C1[H])N(C([H])([H])[H])C([H])([H])C1=NC2=C(N=C(N=C2N=C1[H])N([H])[H])N([H])[H])C(=O)O[H]	166.5165
[H]OC(=O)[C@]([H])(N([H])C(=O)C1=C([H])C([H])=C(N([H])C([H])([H])C2=NC3=C(N=C(N=C3N=C2[H])N([H])[H])N([H])[H])C([H])=C1[H])C([H])([H])C([H])([H])C(=O)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]	100
[H]OC(=O)[C@]([H])(N([H])C(=O)C1=C([H])C([H])=C(N([H])C([H])([H])C2=NC3=C(N=C(N=C3N=C2[H])N([H])[H])N([H])[H])C([H])=C1[H])C([H])([H])C([H])([H])C(=O)N([H])C1=C([H])C([H])=C([H])C([H])=C1[H]	60
[H]OC(=O)[C@]([H])(N([H])C(=O)C1=C([H])C([H])=C(N([H])C([H])([H])C2=NC3=C(N=C(N=C3N=C2[H])N([H])[H])N([H])[H])C([H])=C1[H])C([H])([H])C([H])([H])C(=O)N([H])C(C([H])([H])[H])(C([H])([H])[H])C([H])([H])[H]	44
[H]OC(=O)[C@]([H])(N([H])C(=O)C1=C([H])C([H])=C(N([H])C([H])([H])C2=NC3=C(N=C(N=C3N=C2[H])N([H])[H])N([H])[H])C([H])=C1[H])C([H])([H])C([H])([H])C(=O)N([H])C([H])([H])C1=C(Cl)C([H])=C([H])C([H])=C1Cl	80
[H]OC(=O)[C@]([H])(N([H])C(=O)C1=C([H])C([H])=C(N([H])C([H])([H])C2=NC3=C(N=C(N=C3N=C2[H])N([H])[H])N([H])[H])C([H])=C1[H])C([H])([H])C([H])([H])C(=O)N([H])C([H])([H])C1=C([H])C(Cl)=C(Cl)C([H])=C1[H]	130
[H]OC(=O)[C@]([H])(N([H])C(=O)C1=C([H])C([H])=C(N([H])C([H])([H])C2=NC3=C(N=C(N=C3N=C2[H])N([H])[H])N([H])[H])C([H])=C1[H])C([H])([H])C([H])([H])C(=O)N([H])C([H])([H])C1=C([H])C([H])=C([H])C([H])=C1[H]	87
[H]OC(=O)[C@]([H])(N([H])C(=O)C1=C([H])C([H])=C(N([H])C([H])([H])C2=NC3=C(N=C(N=C3N=C2[H])N([H])[H])N([H])[H])C([H])=C1[H])C([H])([H])C([H])([H])C(=O)N([H])C1=C([H])C([H])=C2OC([H])([H])OC2=C1[H]	45
[H]OC(=O)[C@]([H])(N([H])C(=O)C1=C([H])C([H])=C(C([H])=C1[H])N(C([H])([H])[H])C([H])([H])C1=NC2=C(N=C(N=C2N=C1[H])N([H])[H])N([H])[H])C([H])([H])C([H])([H])C(=O)N([H])C1=C([H])C([H])=C(O[H])C(O[H])=C1[H]	31
[H]OC(=O)[C@]([H])(N([H])C(=O)C1=C([H])C([H])=C(C([H])=C1[H])N(C([H])([H])[H])C([H])([H])C1=NC2=C(N=C(N=C2N=C1[H])N([H])[H])N([H])[H])C([H])([H])C([H])([H])C(=O)N([H])C1=C([H])C([H])=C2OC([H])([H])OC2=C1[H]	42
[H]OC(=O)[C@]([H])(N([H])C(=O)C1=C([H])C([H])=C(N([H])C([H])([H])C2=NC3=C(N=C(N=C3N=C2[H])N([H])[H])N([H])[H])C([H])=C1[H])C([H])([H])C([H])([H])C(=O)N([H])C1=C([H])C([H])=C(O[H])C(O[H])=C1[H]	57
[H]OC(=O)[C@]([H])(N([H])C(=O)C1=C([H])C([H])=C(C([H])=C1[H])N(C([H])([H])[H])C([H])([H])C1=NC2=C(N=C1[H])N=C(N=C2N([H])[H])N([H])[H])C([H])([H])C([H])([H])N([H])[H]	120
[H]OC(=O)[C@]([H])(N([H])C(=O)C1=C([H])C([H])=C(C([H])=C1[H])N(C([H])([H])[H])C([H])([H])C1=NC2=C(N=C1[H])N=C(N=C2N([H])[H])N([H])[H])C([H])([H])C([H])([H])C([H])([H])N([H])[H]	160
[H]OC(=O)[C@]([H])(N([H])C(=O)C1=C([H])C([H])=C(C([H])=C1[H])N(C([H])([H])[H])C([H])([H])C1=NC2=C(N=C1[H])N=C(N=C2N([H])[H])N([H])[H])C([H])([H])N([H])[H]	180
[H]OC(=O)[C@]([H])(N([H])C(=O)C1=C([H])C([H])=C(C([H])=C1[H])N(C([H])([H])[H])C([H])([H])C1=NC2=C(N=C(N=C2N=C1[H])N([H])[H])N([H])[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])N([H])[H]	65
[H]OC(=O)[C@]([H])(N([H])C(=O)C1=C([H])C([H])=C(C([H])=C1[H])N(C([H])([H])[H])C([H])([H])C1=NC2=C(N=C(N=C2N=C1[H])N([H])[H])N([H])[H])C([H])([H])C([H])([H])C([H])([H])N([H])C(=O)C([H])([H])Br	46
[H]OC(=O)[C@]([H])(N([H])C(=O)C1=C([H])C([H])=C(C([H])=C1[H])N(C([H])([H])[H])C([H])([H])C1=NC2=C(N=C(N=C2N=C1[H])N([H])[H])N([H])[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])N([H])C(=O)C([H])([H])Br	72
[H]OC(=O)[C@]([H])(N([H])C(=O)C1=C([H])C([H])=C(C([H])=C1[H])N(C([H])([H])[H])C([H])([H])C1=NC2=C(N=C(N=C2N=C1[H])N([H])[H])N([H])[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])N([H])C(=O)C([H])([H])Cl	32
[H]OC(=O)[C@]([H])(N([H])C(=O)C1=C([H])C([H])=C(C([H])=C1[H])N(C([H])([H])[H])C([H])([H])C1=NC2=C(N=C(N=C2N=C1[H])N([H])[H])N([H])[H])C([H])([H])C([H])([H])C([H])([H])N([H])C(=O)C([H])([H])Cl	32
[H]OC(=O)C([H])([H])C([H])([H])[C@@]([H])(N([H])C(=O)C1=C([H])C([H])=C(C([H])=C1[H])N(C([H])([H])[H])C([H])([H])C1=C(C2=C(N=C1[H])N=C(N=C2N([H])[H])N([H])[H])C([H])([H])[H])C(=O)O[H]	0.00212
[H]OC(=O)C([H])([H])C([H])([H])[C@@]([H])(N([H])C(=O)C1=C([H])C([H])=C(C([H])=C1[H])N(C([H])([H])[H])C([H])([H])C1=C([H])C2=C(N=C1[H])N=C(N=C2N([H])[H])N([H])[H])C(=O)O[H]	0.00526
[H]OC(=O)C([H])([H])C([H])([H])[C@@]([H])(N([H])C(=O)C1=C([H])C([H])=C(C([H])=C1[H])N(C([H])([H])C1=C(C2=C(N=C1[H])N=C(N=C2N([H])[H])N([H])[H])C([H])([H])[H])C([H])([H])C([H])([H])[H])C(=O)O[H]	0.00264
[H]OC(=O)C([H])([H])C([H])([H])[C@@]([H])(N([H])C(=O)C1=C([H])C([H])=C(N([H])C([H])([H])C2=C([H])C3=C(N=C2[H])N=C(N=C3N([H])[H])N([H])[H])C([H])=C1[H])C(=O)O[H]	0.00365
[H]OC(=O)C([H])([H])N(C(=O)C1=C([H])C([H])=C(C([H])=C1[H])N(C([H])([H])[H])C([H])([H])C1=NC2=C(N=C(N=C2N=C1[H])N([H])[H])N([H])[H])C([H])([H])C([H])([H])C(=O)O[H]	38
[H]OC(=O)C([H])([H])C([H])([H])[C@@]([H])(N([H])C(=O)C1=C([H])C([H])=C(C([H])=C1[H])N(C([H])=O)C([H])([H])C1=C([H])C2=C(N=C(N=C2C([H])=C1[H])N([H])[H])N([H])[H])C(=O)O[H]	67
[H]OC(=O)C([H])([H])C([H])([H])[C@@]([H])(N([H])C(=O)C1=C([H])C([H])=C(C([H])=C1[H])C([H])([H])N(C1=C([H])C2=C(N=C(N=C2C([H])=C1[H])N([H])[H])N([H])[H])C([H])([H])[H])C(=O)O[H]	51
[H]OC(=O)C([H])([H])C([H])([H])[C@@]([H])(N([H])C(=O)C1=C([H])C([H])=C(C([H])=C1[H])C([H])([H])N([H])C1=C([H])C2=C(N=C(N=C2C([H])=C1[H])N([H])[H])N([H])[H])C(=O)O[H]	60
[H]OC(=O)C([H])([H])C([H])([H])[C@@]([H])(N([H])C(=O)C1=C([H])C([H])=C(N([H])C([H])([H])C2=C([H])C3=C(N=C(N=C3C([H])=C2[H])N([H])[H])N([H])[H])C([H])=C1[H])C(=O)O[H]	48
[H]OC(=O)C([H])([H])C([H])([H])[C@@]([H])(N([H])C(=O)C1=C([H])C([H])=C(C([H])=C1[H])N(C([H])([H])[H])C([H])([H])C1=C([H])C2=C(N=C(N=C2C([H])=C1[H])N([H])[H])N([H])[H])C(=O)O[H]	51
[H]OC(=O)C([H])([H])C([H])([H])[C@@]([H])(N([H])C(=O)C1=C([H])C([H])=C(C([H])=C1[H])C([H])([H])N(C([H])=O)C1=C([H])C2=C(N=C(N=C2C([H])=C1[H])N([H])[H])N([H])[H])C(=O)O[H]	70
[H]OC(=O)C([H])([H])C([H])([H])[C@@]([H])(N([H])C(=O)C1=C([H])C([H])=C(C([H])=C1[H])C([H])([H])C([H])([H])C1=NC2=C(N=C1[H])N=C(N=C2N([H])[H])N([H])[H])C(=O)O[H]	5.50175