smile	binding.affinity
[H]C1=C([H])C(Cl)=C2C3=C1OC(Br)=C3C([H])([H])N(C([H])([H])[H])C([H])([H])C2([H])[H]	14
[H]O[C@@]1([H])C([H])([H])C([H])([H])[C@]2([H])C([H])([H])N3C([H])([H])C([H])([H])C4=C(N([H])C5=C([H])C([H])=C([H])C([H])=C45)[C@]3([H])C([H])([H])[C@]2([H])[C@]1([H])C(=O)OC([H])([H])[H]	4.59
[H]N(C(=O)C1=C(N=C(C(C(=O)OC([H])([H])[H])=C1C1=C([H])C(=C([H])C([H])=C1[H])[N+]([O-])=O)C([H])([H])[H])C([H])([H])[H])C([H])([H])C([H])([H])C([H])([H])N1C([H])([H])C([H])([H])C(C2=C([H])C([H])=C([H])C([H])=C2[H])(C2=C([H])C([H])=C([H])C([H])=C2[H])C([H])([H])C1([H])[H]	1230
[H]N1C2=C([H])C([H])=C([H])C([H])=C2C2=C1[C@]1([H])N(C([H])([H])C2([H])[H])C([H])([H])[C@@]2([H])[C@@]([H])(OC([H])=C(C(=O)OC([H])([H])[H])[C@@]2([H])C1([H])[H])C([H])([H])[H]	65.5
[H]C1=C([H])C([H])=C(C([H])=C1[H])C1(C2=C([H])C([H])=C([H])C([H])=C2[H])C([H])([H])C([H])([H])N(C([H])([H])C([H])([H])C([H])([H])OC(=O)C2=C(N=C(C(C(=O)OC([H])([H])[H])=C2C2=C([H])C([H])=C(C([H])=C2[H])[N+]([O-])=O)C([H])([H])[H])C([H])([H])[H])C([H])([H])C1([H])[H]	758
[H]N([H])C(=O)C1=C(C2=C([H])C([H])=C(C([H])=C2[H])[N+]([O-])=O)C(C(=O)N([H])C([H])([H])C([H])([H])C([H])([H])N2C([H])([H])C([H])([H])C(C3=C([H])C([H])=C([H])C([H])=C3[H])(C3=C([H])C([H])=C([H])C([H])=C3[H])C([H])([H])C2([H])[H])=C(N=C1C([H])([H])[H])C([H])([H])[H]	275
[H]C1=C([H])C(Cl)=C2C(=C1[H])C([H])([H])C([H])([H])N(C([H])([H])[H])C([H])([H])C2([H])[H]	16
[H]N(C(=O)C1=C(C2=C([H])C([H])=C(C([H])=C2[H])[N+]([O-])=O)C(C(=O)N([H])C([H])([H])C([H])([H])C([H])([H])N2C([H])([H])C([H])([H])C(C3=C([H])C([H])=C([H])C([H])=C3[H])(C3=C([H])C([H])=C([H])C([H])=C3[H])C([H])([H])C2([H])[H])=C(N=C1C([H])([H])[H])C([H])([H])[H])C([H])([H])[H]	912
[H]C1=C([H])C(Cl)=C2C3=C1SC(=C3C([H])([H])N(C([H])([H])[H])C([H])([H])C2([H])[H])C([H])([H])C([H])([H])[H]	15
[H]N([H])C1=NC(=NC2=C([H])C(OC([H])([H])[H])=C(OC([H])([H])[H])C([H])=C12)N1C([H])([H])C([H])([H])N(C(=O)C2=C([H])C([H])=C([H])O2)C([H])([H])C1([H])[H]	30.6
[H]O\C(OC([H])([H])[H])=C1\C(=NC(=C(C(=O)OC([H])([H])C([H])([H])C([H])([H])N2C([H])([H])C([H])([H])C(C3=C([H])C([H])=C([H])C([H])=C3[H])(C3=C([H])C([H])=C([H])C([H])=C3[H])C([H])([H])C2([H])[H])[C@@]1([H])C1=C([H])C(=C([H])C([H])=C1[H])[N+]([O-])=O)C([H])([H])[H])C([H])([H])[H]	540
[H]N([H])C1=C2C([H])=C(OC([H])([H])[H])C(OC([H])([H])[H])=C([H])C2=NC(=N1)N1C([H])([H])C([H])([H])N(C(=O)[C@@]2([H])OC([H])([H])C([H])([H])C2([H])[H])C([H])([H])C1([H])[H]	222
[H]N(C(=O)C1=C(N([H])C(=C(C(=O)OC([H])([H])[H])[C@]1([H])C1=C([H])C([H])=C(C([H])=C1[H])[N+]([O-])=O)C([H])([H])[H])C([H])([H])[H])C([H])([H])C([H])([H])C([H])([H])N1C([H])([H])C([H])([H])C(C2=C([H])C([H])=C([H])C([H])=C2[H])(C2=C([H])C([H])=C([H])C([H])=C2[H])C([H])([H])C1([H])[H]	860
[H]OC1=C([H])C([H])=C([H])C(=C1[H])N(C1=C([H])C([H])=C(C([H])=C1[H])C([H])([H])[H])C([H])([H])C1=NC([H])([H])C([H])([H])N1[H]	10
[H]O\C(OC([H])([H])[H])=C1\C(=NC(=C(C(=O)OC([H])([H])C([H])([H])C([H])([H])N2C([H])([H])C([H])([H])C(C3=C([H])C([H])=C([H])C([H])=C3[H])(C3=C([H])C([H])=C([H])C([H])=C3[H])C([H])([H])C2([H])[H])[C@@]1([H])C1=C([H])C([H])=C(C([H])=C1[H])[N+]([O-])=O)C([H])([H])[H])C([H])([H])[H]	570
[H]N(C1=C(C(=O)N(C(=O)N1C([H])([H])[H])C([H])([H])[H])C([H])([H])[H])C([H])([H])C([H])([H])C([H])([H])N1C([H])([H])C([H])([H])N(C2=C([H])C([H])=C([H])C([H])=C2OC([H])([H])[H])C([H])([H])C1([H])[H]	406
[H]N([H])C1=NC(=NC2=C([H])C(OC([H])([H])[H])=C(OC([H])([H])[H])C([H])=C12)N1C([H])([H])C([H])([H])N(C(=O)[C@]2([H])OC3=C(OC2([H])[H])C([H])=C([H])C([H])=C3[H])C([H])([H])C1([H])[H]	5000
[H]N(C([H])([H])C([H])([H])OC1=C(OC([H])([H])[H])C([H])=C([H])C([H])=C1OC([H])([H])[H])C([H])([H])[C@]1([H])OC2=C([H])C([H])=C([H])C([H])=C2OC1([H])[H]	28
[H]N(C(=O)C1=C([H])C([H])=C([H])C([H])=C1[H])C1([H])C([H])([H])C([H])([H])N(C([H])([H])C([H])([H])C2=C([H])N([H])C3=C([H])C([H])=C([H])C([H])=C23)C([H])([H])C1([H])[H]	528
[H]C(=C(C([H])([H])[H])C([H])([H])[H])C([H])([H])OC1=C2C(=C(Cl)C([H])=C1[H])C([H])([H])C([H])([H])N(C([H])([H])[H])C([H])([H])C2([H])[H]	142
[H]C([H])=C([H])C1=C2C3=C(S1)C([H])=C([H])C(Cl)=C3C([H])([H])C([H])([H])N(C([H])([H])[H])C2([H])[H]	3.4
[H]N1C(=O)N(C(=O)C2=C([H])C([H])=C([H])C([H])=C12)C([H])([H])C([H])([H])N1C([H])([H])C([H])([H])N(C2=C(OC([H])([H])[H])C([H])=C([H])C([H])=C2[H])C([H])([H])C1([H])[H]	56
[H]N1C(=O)N2C(=N[C@@]([H])(C([H])([H])N3C([H])([H])C([H])([H])N(C4=C([H])C([H])=C([H])C([H])=C4OC([H])([H])[H])C([H])([H])C3([H])[H])C2([H])[H])C2=C([H])C([H])=C([H])C([H])=C12	253
[H]N(C(=O)C1=C(N([H])C(=C(C(=O)N([H])C([H])([H])C([H])([H])C([H])([H])N2C([H])([H])C([H])([H])C(C(=O)OC([H])([H])[H])(C3=C([H])C([H])=C([H])C([H])=C3[H])C([H])([H])C2([H])[H])[C@@]1([H])C1=C([H])C([H])=C(C([H])=C1[H])[N+]([O-])=O)C([H])([H])[H])C([H])([H])[H])C([H])([H])[H]	1281
[H]N([H])C(=O)C1=C(N([H])C(=C(C(=O)N([H])C([H])([H])C([H])([H])C([H])([H])N2C([H])([H])C([H])([H])C(C3=C([H])C([H])=C([H])C([H])=C3[H])(C3=C([H])C([H])=C([H])C([H])=C3[H])C([H])([H])C2([H])[H])[C@]1([H])C1=C([H])C([H])=C(C([H])=C1[H])[N+]([O-])=O)C([H])([H])OC([H])([H])C([H])([H])C([H])([H])N([H])[H])C([H])([H])C([H])([H])[H]	1131
[H]N([H])C(=O)C1=C(N([H])C(=C(C(=O)N([H])C([H])([H])C([H])([H])C([H])([H])N2C([H])([H])C([H])([H])C(C3=C([H])C([H])=C([H])C([H])=C3[H])(C3=C([H])C([H])=C([H])C([H])=C3[H])C([H])([H])C2([H])[H])[C@]1([H])C1=C([H])C([H])=C(C([H])=C1[H])[N+]([O-])=O)C([H])([H])OC([H])([H])C(F)(F)F)C([H])([H])C([H])([H])[H]	753
[H]N([H])C(=O)C1=C(N([H])C(=C(C(=O)N([H])C([H])([H])C([H])([H])C([H])([H])N2C([H])([H])C([H])([H])C(C3=C([H])C([H])=C([H])C([H])=C3[H])(C3=C([H])C([H])=C([H])C([H])=C3[H])C([H])([H])C2([H])[H])[C@]1([H])C1=C([H])C([H])=C(C([H])=C1[H])[N+]([O-])=O)C([H])([H])OC([H])([H])[H])C([H])([H])C([H])([H])[H]	288
[H]N([H])C(=O)C1=C(N([H])C(=C(C(=O)N([H])C([H])([H])C([H])([H])C([H])([H])N2C([H])([H])C([H])([H])C(C3=C([H])C([H])=C([H])C([H])=C3[H])(C3=C([H])C([H])=C([H])C([H])=C3[H])C([H])([H])C2([H])[H])[C@]1([H])C1=C([H])C([H])=C(C([H])=C1[H])[N+]([O-])=O)C([H])([H])OC([H])([H])C([H])([H])N=[N+]=[N-])C([H])([H])C([H])([H])[H]	229
[H]N([H])C(=O)C1=C(N([H])C(=C(C(=O)N([H])C([H])([H])C([H])([H])C([H])([H])N2C([H])([H])C([H])([H])C(C3=C([H])C([H])=C([H])C([H])=C3[H])(C3=C([H])C([H])=C([H])C([H])=C3[H])C([H])([H])C2([H])[H])[C@]1([H])C1=C([H])C([H])=C(C([H])=C1[H])[N+]([O-])=O)C([H])([H])OC([H])([H])C([H])([H])N([H])[H])C([H])([H])C([H])([H])[H]	902
[H]N([H])C(=O)C1=C(N([H])C(=C(C(=O)N([H])C([H])([H])C([H])([H])C([H])([H])N2C([H])([H])C([H])([H])C(C3=C([H])C([H])=C([H])C([H])=C3[H])(C3=C([H])C([H])=C([H])C([H])=C3[H])C([H])([H])C2([H])[H])[C@]1([H])C1=C([H])C([H])=C(C([H])=C1[H])[N+]([O-])=O)C([H])([H])C([H])([H])C([H])([H])C([H])([H])OC([H])([H])[H])C([H])([H])C([H])([H])[H]	237
[H]N([H])C([H])([H])C([H])([H])OC([H])([H])C1=C(C(=O)N([H])C([H])([H])C([H])([H])C([H])([H])N2C([H])([H])C([H])([H])C(C3=C([H])C([H])=C([H])C([H])=C3[H])(C3=C([H])C([H])=C([H])C([H])=C3[H])C([H])([H])C2([H])[H])[C@@]([H])(C2=C([H])C([H])=C(C([H])=C2[H])[N+]([O-])=O)C(C(=O)N([H])C([H])([H])C([H])([H])[H])=C(N1[H])C([H])([H])C([H])([H])[H]	2541
[H]N(C(=O)C1=C(N([H])C(=C(C(=O)N([H])C([H])([H])C([H])([H])C([H])([H])N2C([H])([H])C([H])([H])C(C3=C([H])C([H])=C([H])C([H])=C3[H])(C3=C([H])C([H])=C([H])C([H])=C3[H])C([H])([H])C2([H])[H])[C@@]1([H])C1=C([H])C([H])=C(C([H])=C1[H])[N+]([O-])=O)C([H])([H])C([H])([H])C([H])([H])[H])C([H])([H])C([H])([H])[H])C([H])([H])C([H])([H])[H]	507
[H]N([H])C(=O)C1=C(N([H])C(=C(C(=O)N([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])N2C([H])([H])C([H])([H])C(C3=C([H])C([H])=C([H])C([H])=C3[H])(C3=C([H])C([H])=C([H])C([H])=C3[H])C([H])([H])C2([H])[H])[C@]1([H])C1=C([H])C([H])=C(C([H])=C1[H])[N+]([O-])=O)C([H])([H])[H])C([H])([H])[H]	420
[H]N1C([H])=NC(=C1[H])C1=C([H])C([H])=C([H])C2=C1C([H])=C([H])S2	663
[H]N1C([H])=NC(=C1[H])[C@]1([H])C2=C(SC(=C2C([H])([H])C([H])([H])C1([H])[H])C([H])([H])[H])C([H])([H])[H]	141
[H]N1C([H])=NC(=C1[H])C1=C([H])C([H])([H])C([H])([H])C2=C1SC([H])=C2[H]	940
[H]N1C([H])=NC(=C1[H])C1=C([H])C([H])([H])C([H])([H])C2=C1C([H])=C([H])S2	621
[H]N1C([H])=NC(=C1[H])C1=C([H])C([H])([H])C([H])([H])C2=C(SC(=C12)C([H])([H])[H])C([H])([H])[H]	100
[H]N1C([H])=NC(=C1[H])[C@@]1([H])C2=C(SC([H])=C2[H])C([H])([H])C([H])([H])C1([H])[H]	99
[H]N(C(=O)N1C(=O)O[C@@]([H])(C([H])([H])[H])[C@]1([H])C1=C([H])C([H])=C(F)C(F)=C1[H])C([H])([H])C([H])([H])C([H])([H])N1C([H])([H])C([H])([H])C([H])(C2=C([H])C([H])=C(F)C([H])=C2[H])C([H])([H])C1([H])[H]	45
[H]N(C(=O)C1=C(N(C(=O)C([H])([H])[C@]1([H])C1=C([H])C(F)=C(F)C([H])=C1[H])C([H])([H])[H])C([H])([H])[H])C([H])([H])C([H])([H])C([H])([H])N1C([H])([H])C([H])([H])C(C#N)(C2=C(C#N)C([H])=C(F)C([H])=C2[H])C([H])([H])C1([H])[H]	1758
[H]N(C(=O)C1=C(N([H])C(=O)C([H])([H])[C@]1([H])C1=C([H])C(F)=C(F)C([H])=C1[H])C([H])([H])[H])C([H])([H])C([H])([H])C([H])([H])N1C([H])([H])C([H])([H])C(C#N)(C2=C(C#N)C([H])=C(F)C([H])=C2[H])C([H])([H])C1([H])[H]	676
[H]N(C(=O)C1=C(N([H])C(=O)C([H])([H])[C@]1([H])C1=C([H])C(F)=C(F)C([H])=C1[H])C([H])([H])[H])C([H])([H])C([H])([H])C([H])([H])N1C([H])([H])C([H])([H])C([H])(C2=C([H])C([H])=C(F)C([H])=C2[H])C([H])([H])C1([H])[H]	162
[H]N(C(=O)C1=C(N(C(=O)C([H])([H])[C@]1([H])C1=C([H])C(F)=C(F)C([H])=C1[H])C([H])([H])[H])C([H])([H])[H])C([H])([H])C([H])([H])C([H])([H])N1C([H])([H])C([H])([H])C(C#N)(C2=C(F)C([H])=C(F)C([H])=C2[H])C([H])([H])C1([H])[H]	955
[H]N(C(=O)C1=C(N(C(=O)C([H])([H])[C@]1([H])C1=C([H])C(F)=C(F)C([H])=C1[H])C([H])([H])[H])C([H])([H])[H])C([H])([H])C([H])([H])C([H])([H])N1C([H])([H])C([H])([H])C([H])(C2=C(C#N)C([H])=C(F)C([H])=C2[H])C([H])([H])C1([H])[H]	288
[H]N(C(=O)C1=C(N([H])C(=O)C([H])([H])[C@]1([H])C1=C([H])C(F)=C(F)C([H])=C1[H])C([H])([H])[H])C([H])([H])C([H])([H])C([H])([H])N1C([H])([H])C([H])([H])C([H])(C2=C(C#N)C([H])=C(F)C([H])=C2[H])C([H])([H])C1([H])[H]	145
[H]N(C(=O)C1=C(N(C(=O)C([H])([H])[C@]1([H])C1=C([H])C(F)=C(F)C([H])=C1[H])C([H])([H])[H])C([H])([H])[H])C([H])([H])C([H])([H])C([H])([H])N1C([H])([H])C([H])([H])C(C#N)(C2=C([H])C([H])=C(F)C([H])=C2[H])C([H])([H])C1([H])[H]	776
[H]N(C(=O)C1=C(N([H])C(=O)C([H])([H])[C@]1([H])C1=C([H])C(F)=C(F)C([H])=C1[H])C([H])([H])[H])C([H])([H])C([H])([H])C([H])([H])N1C([H])([H])C([H])([H])C(C#N)(C2=C(F)C([H])=C(F)C([H])=C2[H])C([H])([H])C1([H])[H]	531
[H]\C(=C(\[H])C([H])([H])N1C([H])([H])C([H])([H])N(C([H])([H])[C@@]2([H])ON=C3C4=C([H])C([H])=C([H])C([H])=C4OC([H])([H])[C@]23[H])C([H])([H])C1([H])[H])C1=C([H])C([H])=C([H])C([H])=C1[H]	2
[H]\C(=C(\C([H])([H])[H])C([H])([H])N1C([H])([H])C([H])([H])N(C([H])([H])[C@]2([H])ON=C3C4=C([H])C(OC([H])([H])[H])=C(OC([H])([H])[H])C([H])=C4OC([H])([H])[C@@]23[H])C([H])([H])C1([H])[H])C1=C([H])C([H])=C([H])C([H])=C1[H]	7.5
[H]\C(=C(/C1=C([H])C([H])=C([H])C([H])=C1[H])C([H])([H])[H])C([H])([H])N1C([H])([H])C([H])([H])N(C([H])([H])[C@]2([H])ON=C3C4=C([H])C(OC([H])([H])[H])=C(OC([H])([H])[H])C([H])=C4OC([H])([H])[C@@]23[H])C([H])([H])C1([H])[H]	31
[H]N1C([H])=NC([H])([H])[C@@]1([H])C([H])([H])[C@@]1([H])C([H])([H])C2=C([H])C([H])=C(F)C([H])=C2C1([H])[H]	23
[H]C1=C([H])C2=C([H])C([H])=C(C([H])=C2C([H])=C1[H])C([H])([H])N1C([H])([H])C([H])([H])N(C([H])([H])[C@]2([H])ON=C3C4=C([H])C(OC([H])([H])[H])=C(OC([H])([H])[H])C([H])=C4OC([H])([H])[C@@]23[H])C([H])([H])C1([H])[H]	72
[H]N(C(=O)C([H])([H])[H])C1=C([H])C(Cl)=C([H])C([H])=C1\C([H])=C(/[H])C(=O)N1C([H])([H])C([H])([H])N(C([H])([H])C2=C([H])C([H])=C(F)C([H])=C2[H])C([H])([H])[C@@]1([H])C([H])([H])[H]	1000
[H]N1C2=C(C([H])=C([H])C(OC([H])([H])[H])=C2[H])C2=C1C(=NC([H])=C2[H])C([H])([H])[H]	1130
[H]C1=NC2=C(C([H])=C1[H])C([H])=C(C([H])=C2[H])C([H])([H])N1C([H])([H])C([H])([H])N(C([H])([H])[C@]2([H])ON=C3C4=C([H])C(OC([H])([H])[H])=C(OC([H])([H])[H])C([H])=C4OC([H])([H])[C@@]23[H])C([H])([H])C1([H])[H]	721
[H]\C(=C(\[H])C([H])([H])N1C([H])([H])C([H])([H])N(C([H])([H])[C@]2([H])ON=C3C4=C([H])C(OC([H])([H])[H])=C([H])C([H])=C4OC([H])([H])[C@@]23[H])C([H])([H])C1([H])[H])C1=C([H])C([H])=C([H])C([H])=C1[H]	12
[H]\C(=C(\[H])C([H])([H])N1C([H])([H])C([H])([H])N(C([H])([H])[C@]2([H])ON=C3C4=C([H])C(OC([H])([H])[H])=C(OC([H])([H])[H])C([H])=C4OC([H])([H])[C@@]23[H])C([H])([H])C1([H])[H])C1=C([H])C([H])=C([H])C([H])=C1[H]	42
[H]C1=C(SC2=C1C([H])=C([H])C([H])=C2[H])C([H])([H])N1C([H])([H])C([H])([H])N(C([H])([H])[C@@]2([H])ON=C3C4=C([H])C(OC([H])([H])[H])=C(OC([H])([H])[H])C([H])=C4OC([H])([H])[C@]23[H])C([H])([H])C1([H])[H]	1000
[H]C1=C(C([H])([H])N2C([H])([H])C([H])([H])N(C([H])([H])[C@]3([H])ON=C4C5=C([H])C(OC([H])([H])[H])=C(OC([H])([H])[H])C([H])=C5OC([H])([H])[C@@]34[H])C([H])([H])C2([H])[H])C([H])([H])C2=C1C([H])=C([H])C([H])=C2[H]	315
[H]C1=C(C2=C(S1)C([H])=C([H])C([H])=C2[H])C([H])([H])N1C([H])([H])C([H])([H])N(C([H])([H])[C@]2([H])ON=C3C4=C([H])C(OC([H])([H])[H])=C(OC([H])([H])[H])C([H])=C4OC([H])([H])[C@@]23[H])C([H])([H])C1([H])[H]	370
[H]N1C2=C([H])C(OC([H])([H])[H])=C([H])C([H])=C2C2=C1C([H])([H])N([H])C([H])([H])C2([H])[H]	140
[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@@]2([H])ON=C3C4=C([H])C(OC([H])([H])[H])=C(OC([H])([H])[H])C([H])=C4OC([H])([H])[C@]23[H])C([H])([H])C1([H])[H]	1000
[H]C1=C([H])C2=C(C([H])=C1[H])C([H])=C(C([H])=N2)C([H])([H])N1C([H])([H])C([H])([H])N(C([H])([H])[C@@]2([H])ON=C3C4=C([H])C(OC([H])([H])[H])=C(OC([H])([H])[H])C([H])=C4OC([H])([H])[C@]23[H])C([H])([H])C1([H])[H]	1000
[H]C1=C([H])C2=C([H])C([H])=C(C([H])=C2O1)C([H])([H])C([H])([H])N(C([H])([H])[H])C([H])([H])[C@@]1([H])C2=C([H])C([H])=C([H])C(OC([H])([H])[H])=C2C([H])([H])C([H])([H])C1([H])[H]	11
[H]\C(=C(\[H])C([H])([H])N1C([H])([H])C([H])([H])N(C([H])([H])[C@@]2([H])ON=C3C4=C([H])C([H])=C(OC([H])([H])[H])C([H])=C4OC([H])([H])[C@]23[H])C([H])([H])C1([H])[H])C1=C([H])C([H])=C([H])C([H])=C1[H]	16
[H]C1=C([H])C([H])=C(C([H])=C1[H])C([H])([H])N1C([H])([H])C([H])([H])N(C([H])([H])[C@@]2([H])ON=C3C4=C([H])C(OC([H])([H])[H])=C(OC([H])([H])[H])C([H])=C4OC([H])([H])[C@]23[H])C([H])([H])C1([H])[H]	995
[H]C1=C([H])C([H])=C(C([H])=C1[H])C([H])([H])C([H])([H])C([H])([H])N1C([H])([H])C([H])([H])N(C([H])([H])[C@]2([H])ON=C3C4=C([H])C(OC([H])([H])[H])=C(OC([H])([H])[H])C([H])=C4OC([H])([H])[C@@]23[H])C([H])([H])C1([H])[H]	42
[H]O[C@@]1([H])C([H])([H])C([H])([H])[C@@]2([H])C([H])([H])N3C([H])([H])C([H])([H])C4=C(N([H])C5=C4C([H])=C([H])C([H])=C5[H])[C@]3([H])C([H])([H])[C@]2([H])[C@@]1([H])C(=O)N([H])C([H])([H])C([H])([H])C([H])([H])C(=O)OC([H])([H])C1=C([H])C([H])=C([H])C([H])=C1[H]	1300
[H]N(N(C1=C([H])C([H])=C(C([H])=C1[H])C([H])([H])[H])C1=C([H])C([H])=C([H])C(OC([H])([H])[H])=C1[H])C1=NC([H])([H])C([H])([H])N1[H]	7.3
[H]OC1=C([H])C(=C([H])C([H])=C1[H])N(N([H])C1=NC([H])([H])C([H])([H])N1[H])C1=C([H])C([H])=C(C([H])=C1[H])C([H])([H])[H]	18
[H]C1=C([H])C2=C(C([H])=C(O[11C]([H])([H])[H])C([H])=C2[H])C(=C1[H])N1C([H])([H])C([H])([H])N(C([H])([H])C([H])([H])C([H])([H])C([H])([H])N2N=C([H])C(=O)N(C2=O)C([H])([H])[H])C([H])([H])C1([H])[H]	316.2
[H]OC1=C([H])C([H])=C2C([H])=NN(C2=C1[H])C([H])([H])[C@@]([H])(N([H])[H])C([H])([H])[H]	3880
[H]OC1=C(O[H])C([H])=C2C(OC([H])([H])[C@]3([H])N([H])C([H])([H])C4=C(C([H])=C([H])C([H])=C4[H])[C@]23[H])=C1[H]	10
[H]O[C@]1(C2=C([H])C([H])=C(Cl)C([H])=C2[H])C([H])([H])[C@@]2([H])N(C([H])([H])C([H])([H])C([H])([H])C(=O)C3=C([H])C([H])=C(F)C([H])=C3[H])[C@]([H])(C([H])([H])C2([H])[H])C1([H])[H]	515.5
[H]O[C@]1(C2=C([H])C([H])=C(Cl)C([H])=C2[H])C([H])([H])N(C([H])([H])C([H])([H])C([H])([H])C(=O)C2=C([H])C([H])=C(F)C([H])=C2[H])C([H])([H])C1([H])[H]	3051
[H]OC([H])([H])C1=C([H])N=C2C([H])=C([H])C(F)=C([H])C2=C1N([H])C1=C([H])C([H])=C(C([H])=C1[H])N1C([H])([H])C([H])([H])N(C([H])([H])[H])[C@]([H])(C([H])([H])[H])C1([H])[H]	3150
[H]OC([H])([H])C1=C(N=C2C([H])=C([H])C([H])=C([H])C2=C1N([H])C1=C([H])C([H])=C(C([H])=C1[H])N1C([H])([H])C([H])([H])N(C([H])([H])[H])[C@@]([H])(C([H])([H])[H])C1([H])[H])C([H])([H])[H]	5735
[H]OC([H])([H])C1=C([H])N=C2C([H])=C(Cl)C([H])=C([H])C2=C1N([H])C1=C([H])C([H])=C(C([H])=C1[H])N1C([H])([H])C([H])([H])N(C([H])([H])[H])C(C([H])([H])[H])(C([H])([H])[H])C1([H])[H]	420
[H]N(C1=C([H])C([H])=C(C([H])=C1[H])N1C([H])([H])C([H])([H])N(C([H])([H])[H])[C@]([H])(C([H])([H])[H])C1([H])[H])C1=C2C([H])=C([H])C(=C(C2=NC(=C1C([H])([H])[H])C([H])([H])[H])C([H])([H])[H])C([H])([H])[H]	600
[H]N(C1=C([H])C([H])=C(C([H])=C1[H])N1C([H])([H])C([H])([H])N(C([H])([H])[H])C([H])([H])C([H])([H])C1([H])[H])C1=C2C([H])=C([H])C([H])=C(C2=NC(=C1C([H])([H])C([H])([H])[H])C([H])([H])[H])C([H])([H])[H]	2600
[H]N(C1=C([H])C([H])=C(C([H])=C1[H])N1C([H])([H])C([H])([H])N(C([H])([H])[H])[C@]([H])(C([H])([H])[H])C1([H])[H])C1=C2C([H])=C([H])C([H])=C([H])C2=NC([H])=C1C([H])([H])[H]	2385
[H]N(C1=C([H])C([H])=C(C([H])=C1[H])N1C([H])([H])C([H])([H])N(C([H])([H])[H])[C@@]([H])(C([H])([H])[H])C1([H])[H])C1=C2C([H])=C([H])C(=C([H])C2=NC(=C1C([H])([H])[H])C([H])([H])[H])C([H])([H])[H]	1280
[H]N(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=C2C([H])=C([H])C([H])=C([H])C2=NC(=C1[H])C([H])([H])[H]	3700
[H]N(C1=C([H])C([H])=C(C([H])=C1[H])N1C([H])([H])C([H])([H])N(C([H])([H])[H])[C@]([H])(C([H])([H])[H])C1([H])[H])C1=C2C(Cl)=C([H])C([H])=C([H])C2=NC(=C1C([H])([H])[H])C([H])([H])[H]	1120
[H]N(C1=C([H])C([H])=C(C([H])=C1[H])N1C([H])([H])C([H])([H])N(C([H])([H])[H])[C@]([H])(C([H])([H])[H])C1([H])[H])C1=C2C(=NC(=C1C([H])([H])[H])C([H])([H])[H])C([H])=C(C([H])=C2C([H])([H])[H])C([H])([H])[H]	910
[H]OC([H])([H])C1=C(C(N([H])C2=C([H])C([H])=C(C([H])=C2[H])N2C([H])([H])C([H])([H])N(C([H])([H])[H])[C@]([H])(C([H])([H])[H])C2([H])[H])=C2C([H])=C([H])C([H])=C([H])C2=N1)C([H])([H])[H]	1800
[H]N(C1=C([H])C([H])=C(C([H])=C1[H])N1C([H])([H])C([H])([H])N(C([H])([H])[H])[C@]([H])(C([H])([H])[H])C1([H])[H])C1=C2C(=NC(=C1C([H])([H])C([H])([H])[H])C([H])([H])[H])C([H])([H])C([H])([H])C([H])([H])C2([H])[H]	2980
[H]N(C1=C([H])C([H])=C(C([H])=C1[H])N1C([H])([H])C([H])([H])N(C([H])([H])[H])[C@]([H])(C([H])([H])[H])C1([H])[H])C1=C2C([H])=C([H])C([H])=C(C2=NC(=C1C([H])([H])[H])C([H])([H])[H])C([H])([H])[H]	1100
[H]N(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(C(=NC2=C([H])C([H])=C([H])C([H])=C12)C([H])([H])[H])C([H])([H])C1=C([H])C([H])=C([H])C([H])=C1[H]	96
[H]O[C@]([H])(C1=C(N=C2C([H])=C([H])C([H])=C([H])C2=C1N([H])C1=C([H])C([H])=C(C([H])=C1[H])N1C([H])([H])C([H])([H])N(C([H])([H])[H])[C@]([H])(C([H])([H])[H])C1([H])[H])C([H])([H])[H])C([H])([H])[H]	5100
[H]N(C1=C([H])C([H])=C(C([H])=C1[H])N1C([H])([H])C([H])([H])N(C([H])([H])[H])[C@@]([H])(C([H])([H])[H])C1([H])[H])C1=C(C2=C([H])C([H])=C([H])C([H])=C2[H])C(=NC2=C([H])C([H])=C([H])C([H])=C12)C([H])([H])[H]	1700
[H]N(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=C2C([H])=C([H])C([H])=C([H])C2=NC2=C1C([H])=C([H])C([H])=C2[H]	1350
[H]N(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=C2C([H])=C([H])C([H])=C([H])C2=NC(=C1C([H])([H])[H])C([H])([H])[H]	5000
[H]OC([H])([H])C1=C([H])N=C2C([H])=C([H])C([H])=C([H])C2=C1N([H])C1=C([H])C([H])=C(C([H])=C1[H])N1C([H])([H])C([H])([H])N(C([H])([H])[H])C(C([H])([H])[H])(C([H])([H])[H])C1([H])[H]	2250
[H]C1=C(OC2=C1C(=C([H])C([H])=C2OC([H])([H])[H])C([H])([H])N1C([H])([H])C2=C(C([H])=C(OC([H])([H])[H])C(OC([H])([H])[H])=C2[H])C([H])([H])C1([H])[H])C1=C([H])C([H])=C([H])C([H])=C1[H]	752
[H]N([H])C(C([H])([H])[H])(C([H])([H])[H])C([H])([H])N([H])C(=O)C1=C([H])C2=C(O1)C(OC([H])([H])[H])=C([H])C([H])=C2C([H])([H])N1C([H])([H])C2=C(C([H])=C(OC([H])([H])[H])C(OC([H])([H])[H])=C2[H])C([H])([H])C1([H])[H]	1535
[H]N(C(=O)C1=C([H])C(=C([H])C([H])=C1[H])C1=C([H])C2=C(O1)C(OC([H])([H])[H])=C([H])C([H])=C2C([H])([H])N1C([H])([H])C2=C(C([H])=C(OC([H])([H])[H])C(OC([H])([H])[H])=C2[H])C([H])([H])C1([H])[H])C([H])([H])C([H])([H])N(C([H])([H])[H])C([H])([H])[H]	584
[H]N(C(=O)C1=C([H])C2=C(O1)C(OC([H])([H])[H])=C([H])C([H])=C2C([H])([H])N1C([H])([H])C2=C(C([H])=C(OC([H])([H])[H])C(OC([H])([H])[H])=C2[H])C([H])([H])C1([H])[H])[C@@]1([H])C([H])([H])[N@]2C([H])([H])C([H])([H])[C@]1([H])C([H])([H])C2([H])[H]	857
[H]C1=C([H])C([H])=C(O1)C1=C([H])C2=C(O1)C(OC([H])([H])[H])=C([H])C([H])=C2C([H])([H])N1C([H])([H])C2=C(C([H])=C(OC([H])([H])[H])C(OC([H])([H])[H])=C2[H])C([H])([H])C1([H])[H]	160
[H]N([H])C1=NC([H])=C(C2=NC(=NN12)C1=C([H])C([H])=C([H])O1)C([H])([H])N1C([H])([H])C2=C(C([H])=C(OC([H])([H])[H])C(OC([H])([H])[H])=C2[H])C([H])([H])C1([H])[H]	370
[H]N(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=C2C([H])=C([H])C([H])=C([H])C2=NC([H])=C1[H]	3800
[H]N(C1=C([H])C([H])=C(C([H])=C1[H])N1C([H])([H])N(C([H])([H])[H])C([H])([H])C([H])([H])C1([H])[H])C1=C2C([H])=C([H])C([H])=C(C2=NC(=C1C([H])([H])[H])C([H])([H])[H])C([H])([H])[H]	2500
[H]N(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=C2C([H])=C([H])C([H])=C([H])C2=NC(=C1C([H])(C([H])([H])[H])C([H])([H])[H])C([H])([H])[H]	3900
[H]N(C1=C([H])C([H])=C(C([H])=C1[H])N1C([H])([H])C([H])([H])N(C([H])([H])[H])[C@]([H])(C([H])([H])[H])C1([H])[H])C1=C2C([H])=C(F)C([H])=C([H])C2=NC(=C1C([H])([H])[H])C([H])([H])[H]	3470
[H]N(C1=C([H])C([H])=C(C([H])=C1[H])N1C([H])([H])C([H])([H])N(C([H])([H])[H])[C@]([H])(C([H])([H])[H])C1([H])[H])C1=C2C(=NC(=C1C([H])([H])[H])C([H])([H])[H])C(=C([H])C([H])=C2C([H])([H])[H])C([H])([H])[H]	3600
[H]N(C1=C([H])C([H])=C(C([H])=C1[H])N1C([H])([H])C([H])([H])N(C([H])([H])[H])[C@@]([H])(C([H])([H])[H])C1([H])[H])C1=C2C(=NC(=C1C([H])([H])[H])C([H])([H])[H])C([H])=C([H])C([H])=C2C([H])([H])[H]	2030
[H]N(C1=C([H])C([H])=C(N([H])C([H])([H])C([H])([H])N2C([H])([H])C([H])([H])C([H])([H])C2([H])[H])C([H])=C1[H])C1=C2C([H])=C([H])C([H])=C([H])C2=NC(=C1C([H])([H])[H])C([H])([H])[H]	1680
[H]N(C1=C([H])C([H])=C(N([H])C([H])([H])C([H])([H])N(C([H])([H])C([H])([H])[H])C([H])([H])C([H])([H])[H])C([H])=C1[H])C1=C2C([H])=C([H])C([H])=C(C2=NC(=C1C([H])([H])C([H])([H])[H])C([H])([H])[H])C([H])([H])[H]	2900
[H]N(C1=C([H])C([H])=C(C([H])=C1[H])N1C([H])([H])C([H])([H])N2C([H])([H])C([H])([H])C([H])([H])C([H])([H])[C@]2([H])C1([H])[H])C1=C2C([H])=C([H])C([H])=C([H])C2=NC(=C1C([H])([H])[H])C([H])([H])[H]	1330
[H]N(C(=O)C1=C([H])C2=C(O1)C(OC([H])([H])[H])=C([H])C([H])=C2C([H])([H])N1C([H])([H])C2=C(C([H])=C(OC([H])([H])[H])C(OC([H])([H])[H])=C2[H])C([H])([H])C1([H])[H])C([H])([H])C([H])([H])N(C([H])([H])[H])C([H])([H])[H]	2068
[H]C1=C(OC2=C1C(=C([H])C([H])=C2OC([H])([H])[H])C([H])([H])N1C([H])([H])C2=C(C([H])=C(OC([H])([H])[H])C(OC([H])([H])[H])=C2[H])C([H])([H])C1([H])[H])C1=C([H])C([H])=C([H])C([H])=N1	330
[H]C1=C(OC2=C1C(=C([H])C([H])=C2OC([H])([H])[H])C([H])([H])N1C([H])([H])C2=C(C([H])=C(OC([H])([H])[H])C(OC([H])([H])[H])=C2[H])C([H])([H])C1([H])[H])C1=C([H])C([H])=C([H])C([H])=C1F	299
[H]C1=C(OC2=C1C(=C([H])C([H])=C2OC([H])([H])[H])C([H])([H])N1C([H])([H])C2=C(C([H])=C(OC([H])([H])[H])C(OC([H])([H])[H])=C2[H])C([H])([H])C1([H])[H])C1=C([H])C([H])=C([H])C([H])=C1C(F)(F)F	949
[H]C1=C(OC2=C1C(=C([H])C([H])=C2OC([H])([H])[H])C([H])([H])N1C([H])([H])C2=C(C([H])=C(OC([H])([H])[H])C(OC([H])([H])[H])=C2[H])C([H])([H])C1([H])[H])C1=C([H])C([H])=C([H])C(OC([H])([H])[H])=C1[H]	804
[H]N1C(=NC([H])([H])C1([H])[H])[C@]1([H])OC2=C([H])C([H])=C([H])C([H])=C2OC1([H])[H]	24.765
[H]C1=C(OC2=C1C(=C([H])C([H])=C2OC([H])([H])[H])C([H])([H])N1C([H])([H])C2=C(C([H])=C(OC([H])([H])[H])C(OC([H])([H])[H])=C2[H])C([H])([H])C1([H])[H])C(=O)N1C([H])([H])C([H])([H])C([H])(N2C([H])([H])C([H])([H])C([H])([H])C2([H])[H])C([H])([H])C1([H])[H]	1364
[H]N1C2=C([H])C(OC([H])([H])[H])=C(OC([H])([H])[H])C([H])=C2C2=NO[C@]([H])(C([H])([H])N3C([H])([H])C([H])([H])N(C([H])([H])C(=C(/[H])C4=C([H])C([H])=C([H])C([H])=C4[H])\C([H])([H])[H])C([H])([H])C3([H])[H])[C@@]2([H])C1([H])[H]	12
[H]\C(=C(\C([H])([H])[H])C([H])([H])N1C([H])([H])C([H])([H])N(C([H])([H])[C@]2([H])ON=C3C4=C([H])C(OC([H])([H])[H])=C(OC([H])([H])[H])C([H])=C4OC([H])([H])[C@@]23[H])C([H])([H])C1([H])[H])C1=C([H])C([H])=C(F)C([H])=C1[H]	8.4
[H]\C(=C(\[H])C([H])([H])N1C([H])([H])C([H])([H])N(C([H])([H])[C@@]2([H])ON=C3C4=C([H])C(OC([H])([H])[H])=C(OC([H])([H])[H])C([H])=C4OC([H])([H])[C@]23[H])C([H])([H])C1([H])[H])C1=C([H])C([H])=C(F)C([H])=C1[H]	25
[H]OC1(C2=C([H])C([H])=C(Cl)C([H])=C2[H])C([H])([H])C([H])([H])N(C([H])([H])C([H])([H])C(C(=O)N([H])C([H])([H])[H])(C2=C([H])C([H])=C([H])C([H])=C2[H])C2=C([H])C([H])=C([H])C([H])=C2[H])C([H])([H])C1([H])[H]	7
[H]OC(=O)[C@]([H])(OC1=C([H])C([H])=C([H])C(=C1[H])C([H])([H])N1C2=C([H])C(OC(F)(F)F)=C([H])C([H])=C2C(C(=O)C2=C([H])C([H])=C(Cl)C([H])=C2[H])=C1C([H])([H])[H])C([H])([H])[H]	770
[H]C1=C([H])C2=C(O[C@@]([H])(C([H])([H])N3C([H])([H])C([H])([H])N(C4=C([H])C([H])=C([H])C([H])=C4OC([H])([H])[H])C([H])([H])C3([H])[H])C([H])([H])O2)C([H])=C1[H]	105.5
[H]C1=C([H])C([H])=C(C([H])=C1[H])C([H])([H])N1C([H])([H])C([H])([H])N(C([H])([H])[C@@]2([H])OC3=C(C([H])=C([H])C([H])=C3[H])C([H])([H])C2([H])[H])C([H])([H])C1([H])[H]	126.4
[H]C1=C([H])C([H])=C(C([H])=C1[H])C([H])([H])N1C([H])([H])C([H])([H])N(C([H])([H])[C@@]2([H])C([H])([H])OC3=C(C([H])=C([H])C([H])=C3[H])C2([H])[H])C([H])([H])C1([H])[H]	500
[H]N(C(=O)C1=C([H])C([H])=C([H])N=C1OC1=C([H])C([H])=C([H])C([H])=C1[H])C([H])([H])C([H])([H])N1C([H])([H])C([H])([H])N(C([H])([H])[C@]2([H])OC3=C(OC2([H])[H])C([H])=C([H])C([H])=C3[H])C([H])([H])C([H])([H])C1([H])[H]	40.15
[H]N(C(=O)C1=C([H])C([H])=C([H])N=C1OC([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])C([H])([H])C([H])([H])N1C([H])([H])C([H])([H])N(C([H])([H])[C@]2([H])OC3=C(OC2([H])[H])C([H])=C([H])C([H])=C3[H])C([H])([H])C([H])([H])C1([H])[H]	11.9
[H]N(C(=O)C1=C([H])C([H])=C([H])N=C1OC1=C([H])C([H])=C([H])C([H])=C1[H])C([H])([H])C([H])([H])N1C([H])([H])C([H])([H])N(C([H])([H])[C@@]2([H])OC3=C(OC2([H])[H])C([H])=C([H])C([H])=C3[H])C([H])([H])C1([H])[H]	8
[H]N(C(=O)C1=C([H])C([H])=C([H])N=C1OC1=C([H])C(C#N)=C([H])C([H])=C1[H])C([H])([H])C([H])([H])N1C([H])([H])C([H])([H])N(C([H])([H])[C@]2([H])OC3=C(OC2([H])[H])C([H])=C([H])C([H])=C3[H])C([H])([H])C([H])([H])C1([H])[H]	31.75
[H]N(C(=O)C1=C([H])C([H])=C([H])N=C1N([H])C(C([H])([H])[H])(C([H])([H])[H])C([H])([H])[H])C([H])([H])C([H])([H])N1C([H])([H])C([H])([H])N(C([H])([H])[C@]2([H])OC3=C(OC2([H])[H])C([H])=C([H])C([H])=C3[H])C([H])([H])C([H])([H])C1([H])[H]	65.5
[H]N(C(=O)C1=C([H])C([H])=C([H])C(OC([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])=N1)C([H])([H])C([H])([H])N1C([H])([H])C([H])([H])N(C([H])([H])[C@]2([H])OC3=C(OC2([H])[H])C([H])=C([H])C([H])=C3[H])C([H])([H])C([H])([H])C1([H])[H]	12.5
[H]N(C(=O)C1=C([H])C([H])=C([H])N=C1[H])C([H])([H])C([H])([H])N1C([H])([H])C([H])([H])N(C([H])([H])[C@]2([H])OC3=C(OC2([H])[H])C([H])=C([H])C([H])=C3[H])C([H])([H])C([H])([H])C1([H])[H]	17.9
[H]C1=C([H])C([H])=C(C(OC2=C([H])C([H])=C([H])C([H])=C2[H])=N1)C([H])([H])OC([H])([H])C([H])([H])N1C([H])([H])C([H])([H])N(C([H])([H])[C@]2([H])OC3=C(OC2([H])[H])C([H])=C([H])C([H])=C3[H])C([H])([H])C([H])([H])C1([H])[H]	100.75
[H]C1=C([H])C([H])=C(C2=NOC(=N2)C([H])([H])N2C([H])([H])C([H])([H])N(C([H])([H])[C@@]3([H])OC4=C(OC3([H])[H])C([H])=C([H])C([H])=C4[H])C([H])([H])C([H])([H])C2([H])[H])C(OC2=C([H])C([H])=C([H])C([H])=C2[H])=N1	10.25
[H]OC1=C(O[H])C(=O)[C@]([H])(O1)[C@@]([H])(O[H])C([H])([H])O[H]	0.5
[H]N([H])C1=N[C@]23N(C(=O)C4=C([H])C(Br)=C(Br)N4[C@]2([H])N1[H])C([H])([H])C([H])([H])C3([H])[H]	4200
[H]O[C@@]1([H])C([H])([H])C([H])([H])[C@@]2([H])C([H])([H])N3C([H])([H])C([H])([H])C4=C(N([H])C5=C4C([H])=C([H])C([H])=C5[H])[C@]3([H])C([H])([H])[C@]2([H])[C@@]1([H])C(=O)N([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])N([H])C(=O)[C@@]1([H])[C@@]([H])(O[H])C([H])([H])C([H])([H])[C@@]2([H])C([H])([H])N3C([H])([H])C([H])([H])C4=C(N([H])C5=C4C([H])=C([H])C([H])=C5[H])[C@]3([H])C([H])([H])[C@]12[H]	188.6
[H]O[C@@]1([H])C([H])([H])C([H])([H])[C@@]2([H])C([H])([H])N3C([H])([H])C([H])([H])C4=C(N([H])C5=C4C([H])=C([H])C([H])=C5[H])[C@]3([H])C([H])([H])[C@]2([H])[C@@]1([H])C(=O)N([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])N([H])C(=O)[C@@]1([H])[C@@]([H])(O[H])C([H])([H])C([H])([H])[C@@]2([H])C([H])([H])N3C([H])([H])C([H])([H])C4=C(N([H])C5=C4C([H])=C([H])C([H])=C5[H])[C@]3([H])C([H])([H])[C@]12[H]	44.7
[H]O[C@@]1([H])C([H])([H])C([H])([H])[C@@]2([H])C([H])([H])N3C([H])([H])C([H])([H])C4=C(N([H])C5=C4C([H])=C([H])C([H])=C5[H])[C@]3([H])C([H])([H])[C@]2([H])[C@@]1([H])C(=O)N([H])C([H])([H])C([H])([H])C([H])([H])N([H])C(=O)[C@@]1([H])[C@@]([H])(O[H])C([H])([H])C([H])([H])[C@@]2([H])C([H])([H])N3C([H])([H])C([H])([H])C4=C(N([H])C5=C4C([H])=C([H])C([H])=C5[H])[C@]3([H])C([H])([H])[C@]12[H]	990
[H]O[C@@]1([H])C([H])([H])C([H])([H])[C@@]2([H])C([H])([H])N3C([H])([H])C([H])([H])C4=C(N([H])C5=C4C([H])=C([H])C([H])=C5[H])[C@]3([H])C([H])([H])[C@]2([H])[C@@]1([H])C(=O)N([H])C([H])([H])C([H])([H])N([H])C(=O)[C@@]1([H])[C@@]([H])(O[H])C([H])([H])C([H])([H])[C@@]2([H])C([H])([H])N3C([H])([H])C([H])([H])C4=C(N([H])C5=C4C([H])=C([H])C([H])=C5[H])[C@]3([H])C([H])([H])[C@]12[H]	1510
[H]N1C(=O)C2(N(C3=C([H])C([H])=C([H])C([H])=C3[H])C1([H])[H])C([H])([H])C([H])([H])N(C([H])([H])[C@]1([H])OC3=C([H])C([H])=C([H])C([H])=C3OC1([H])[H])C([H])([H])C2([H])[H]	1.57
[H]N(C([H])([H])C([H])([H])OC1=C(OC([H])([H])[H])C([H])=C([H])C([H])=C1OC([H])([H])[H])C([H])([H])[C@]1([H])OC2=C([H])C([H])=C([H])C([H])=C2O[C@]1([H])C1=C([H])C([H])=C([H])C([H])=C1[H]	17
[H]C1=C([H])C([H])=C(N2C([H])([H])C([H])([H])N(C([H])([H])C([H])([H])[C@@]3([H])C(=O)C4=C([H])C([H])=C([H])C([H])=C4C(C3=O)(C([H])([H])[H])C([H])([H])[H])C([H])([H])C2([H])[H])C(OC([H])([H])[H])=C1[H]	11.085
[H]N1C(Br)=C2C3=C1C([H])=C([H])C([H])=C3[C@@]1([H])C([H])([H])[C@@]([H])(C([H])([H])N3C([H])=C([H])N=C3C3=C([H])C([H])=C([H])C([H])=C3[H])C([H])([H])N(C([H])([H])[H])[C@]1([H])C2([H])[H]	5.28
[H]C1=C([H])C2=C(C([H])=C1[H])N(C1=C([H])C(Cl)=C([H])C([H])=C1S2)C([H])([H])C([H])([H])C([H])([H])N(C([H])([H])[H])C([H])([H])[H]	15.9
[H]OC1=C(C([H])=C(C(=C1C([H])([H])[H])C([H])([H])C1=NC([H])([H])C([H])([H])N1[H])C([H])([H])[H])C(C([H])([H])[H])(C([H])([H])[H])C([H])([H])[H]	1266.14
[H]C1=C2OC([H])([H])OC2=C([H])C2=C1C1=C3C(=C([H])C(OC([H])([H])[H])=C1OC([H])([H])[H])C([H])([H])C([H])([H])N(C([H])([H])[H])[C@@]3([H])C2([H])[H]	252
[H]N(C(=O)N([H])C([H])([H])C([H])([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])N=C(C([H])=C1[H])C1=C([H])C([H])=C(F)C([H])=C1[H]	7500
[H]OC1=C(O[H])C([H])=C(C([H])=C1[H])[C@@]([H])(O[H])C([H])([H])N([H])C([H])([H])[H]	3282.285
[H]N1C(=O)N(C(=O)C2=C([H])C([H])=C([H])C([H])=C12)C([H])([H])C([H])([H])N1C([H])([H])C([H])([H])C([H])(C(=O)C2=C([H])C([H])=C(F)C([H])=C2[H])C([H])([H])C1([H])[H]	199
[H]C1=C([H])C2=C(C([H])=C1[H])C([H])([H])C1=C([H])C([H])=C([H])C([H])=C1[C@]1([H])N2C([H])([H])C([H])([H])N(C([H])([H])[H])C1([H])[H]	27
[H]N([H])C1=C([H])C(Cl)=C(N([H])C2=NC([H])([H])C([H])([H])N2[H])C(Cl)=C1[H]	17.005
[H]C1=C([H])C([H])=C(OC([H])([H])[C@]([H])(N(C([H])([H])C2=C([H])C([H])=C([H])C([H])=C2[H])C([H])([H])C([H])([H])Cl)C([H])([H])[H])C([H])=C1[H]	3.5
[H]OC1=C(O[H])C2=C(C([H])=C1[H])[C@]1([H])C([H])([H])N([H])C([H])([H])C([H])([H])[C@@]1([H])[C@]([H])(C1=C([H])C([H])=C([H])C([H])=C1[H])C2([H])[H]	6400
CCCCC1CCN(CCCC(=O)C2=C(C)C=CC=C2)CC1	840
CCCCN1CCC(COC(=O)C2=C3OCCOC3=C(NC)C(Cl)=C2)CC1	671.2
CCCCN1CCC(COC(=O)C2=C3OCCOC3=C(N)C(F)=C2)CC1	773
[H]N1C(=NC([H])([H])C1([H])[H])C([H])([H])N1C([H])([H])C2=C([H])C([H])=C([H])C([H])=C2[C@]1([H])C([H])([H])[H]	651
[H]N([H])C(=NC(=O)C([H])([H])C1=C(Cl)C([H])=C([H])C([H])=C1Cl)N([H])[H]	1200.19
[H]N1C(=NC([H])([H])C1([H])[H])[C@]1(OC([H])([H])[H])OC2=C([H])C([H])=C([H])C([H])=C2OC1([H])[H]	1.62
[H]N1C(=O)C([H])([H])C([H])([H])C2=C1C([H])=C(OC([H])([H])C([H])([H])C([H])([H])C([H])([H])N1C([H])([H])C([H])([H])N(C3=C([H])C([H])=C([H])C(Cl)=C3Cl)C([H])([H])C1([H])[H])C([H])=C2[H]	102.5
[H]O[C@]1([H])C2=NC(=C(C(=O)N2C([H])([H])C([H])([H])C1([H])[H])C([H])([H])C([H])([H])N1C([H])([H])C([H])([H])C([H])(C2=NOC3=C2C([H])=C([H])C(F)=C3[H])C([H])([H])C1([H])[H])C([H])([H])[H]	9.4
[H]N1C2=C(N=C3C([H])=C([H])C([H])=C([H])C3=C1N1C([H])([H])C([H])([H])N(C([H])([H])[H])C([H])([H])C1([H])[H])C([H])=C([H])C(Cl)=C2[H]	24
[H]N1C(=O)C2(N(C3=C([H])C([H])=C([H])C([H])=C3[H])C1([H])[H])C([H])([H])C([H])([H])N(C([H])([H])C([H])([H])C([H])([H])C([H])(C1=C([H])C([H])=C(F)C([H])=C1[H])C1=C([H])C([H])=C(F)C([H])=C1[H])C([H])([H])C2([H])[H]	48
[H]OC1(C2=C([H])C([H])=C(Cl)C([H])=C2[H])C([H])([H])C([H])([H])N(C([H])([H])C([H])([H])C([H])([H])C(=O)C2=C([H])C([H])=C(F)C([H])=C2[H])C([H])([H])C1([H])[H]	480
[H]N1C2=C([H])C([H])=C([H])C([H])=C2N=C2SC(=C([H])C2=C1N1C([H])([H])C([H])([H])N(C([H])([H])[H])C([H])([H])C1([H])[H])C([H])([H])[H]	130.8
[H]C1=C([H])C([H])=C2C(OC3=C(C([H])=C(Cl)C([H])=C3[H])[C@]3([H])C([H])([H])N(C([H])([H])[H])C([H])([H])[C@@]23[H])=C1[H]	0.49
[H]N([H])C(=O)C1(N2C([H])([H])C([H])([H])C([H])([H])C([H])([H])C2([H])[H])C([H])([H])C([H])([H])N(C([H])([H])C([H])([H])C([H])([H])C(=O)C2=C([H])C([H])=C(F)C([H])=C2[H])C([H])([H])C1([H])[H]	35
[H]OC([H])([H])C([H])([H])OC([H])([H])C([H])([H])N1C([H])([H])C([H])([H])N(C2=NC3=C([H])C([H])=C([H])C([H])=C3SC3=C2C([H])=C([H])C([H])=C3[H])C([H])([H])C1([H])[H]	418.3
[H]C1=C([H])C(F)=C([H])C2=C1C(=NO2)C1([H])C([H])([H])C([H])([H])N(C([H])([H])C([H])([H])C2=C(N=C3N(C2=O)C([H])([H])C([H])([H])C([H])([H])C3([H])[H])C([H])([H])[H])C([H])([H])C1([H])[H]	58.05
[H]N1C(=O)N(C([H])([H])C([H])([H])N2C([H])([H])C([H])([H])C([H])(C3=C([H])N(C4=C([H])C([H])=C(Cl)C([H])=C34)C3=C([H])C([H])=C(F)C([H])=C3[H])C([H])([H])C2([H])[H])C([H])([H])C1([H])[H]	450
[H]N1C(=O)C([H])([H])C2=C1C([H])=C(Cl)C(=C2[H])C([H])([H])C([H])([H])N1C([H])([H])C([H])([H])N(C2=NSC3=C2C([H])=C([H])C([H])=C3[H])C([H])([H])C1([H])[H]	48
[H]C1=C([H])C([H])=C2C([H])=C(OC([H])([H])C([H])([H])N(C([H])([H])[H])C([H])([H])[H])C3=C(SC2=C1[H])C([H])=C([H])C(Cl)=C3[H]	5.7
[H]C1=NC(=NC([H])=C1[H])N1C([H])([H])C([H])([H])N(C([H])([H])C2=C([H])C3=C(OC([H])([H])O3)C([H])=C2[H])C([H])([H])C1([H])[H]	288.4
[H]OC([H])([H])C([H])([H])N1C([H])([H])C([H])([H])N(C([H])([H])C([H])([H])C([H])([H])N2C3=C(SC4=C2C([H])=C(C([H])=C4[H])C(F)(F)F)C([H])=C([H])C([H])=C3[H])C([H])([H])C1([H])[H]	81.6
[H]C1=C([H])C([H])=C2N=C(N3C([H])([H])C([H])([H])N(C([H])([H])[H])C([H])([H])C3([H])[H])C3=C(OC2=C1[H])C([H])=C([H])C(Cl)=C3[H]	107.6
[H]N1C(=C(C2=C1C([H])([H])C([H])([H])[C@]([H])(C2=O)C([H])([H])N1C([H])([H])C([H])([H])OC([H])([H])C1([H])[H])C([H])([H])C([H])([H])[H])C([H])([H])[H]	557.8
[H]OC([H])([H])C([H])([H])N1C([H])([H])C([H])([H])N(C([H])([H])C([H])([H])C([H])([H])N2C3=C([H])C([H])=C([H])C([H])=C3SC3=C2C([H])=C(Cl)C([H])=C3[H])C([H])([H])C1([H])[H]	104.9
[H]N1C(=O)N(C2=C([H])C([H])=C([H])C([H])=C12)C1([H])C([H])([H])C([H])([H])N(C([H])([H])C([H])([H])C([H])([H])C([H])(C2=C([H])C([H])=C(F)C([H])=C2[H])C2=C([H])C([H])=C(F)C([H])=C2[H])C([H])([H])C1([H])[H]	821.1
[H]C1=C([H])C([H])=C2N(C3=C(SC2=C1[H])C([H])=C([H])C(SC([H])([H])[H])=C3[H])C([H])([H])C([H])([H])[C@]1([H])N(C([H])([H])[H])C([H])([H])C([H])([H])C([H])([H])C1([H])[H]	341.3
[H]\C(=C1\C2=C([H])C([H])=C([H])C([H])=C2SC2=C1C([H])=C(C([H])=C2[H])S(=O)(=O)N(C([H])([H])[H])C([H])([H])[H])C([H])([H])C([H])([H])N1C([H])([H])C([H])([H])N(C([H])([H])[H])C([H])([H])C1([H])[H]	50.2
[H]C1=C([H])C([H])=C2N(C3=C(SC2=C1[H])C([H])=C([H])C(=C3[H])C(F)(F)F)C([H])([H])C([H])([H])C([H])([H])N1C([H])([H])C([H])([H])N(C([H])([H])[H])C([H])([H])C1([H])[H]	163.6
[H]C1=C2C(ON=C2C2([H])C([H])([H])C([H])([H])N(C([H])([H])C([H])([H])C([H])([H])OC3=C([H])C([H])=C(C([H])=C3OC([H])([H])[H])C(=O)C([H])([H])[H])C([H])([H])C2([H])[H])=C([H])C(F)=C1[H]	162
[H]N(C([H])([H])[H])[C@@]([H])(C([H])([H])[H])C([H])([H])C1=C([H])C2=C(OC([H])([H])O2)C([H])=C1[H]	1785
[H]OC1=C([H])C([H])=C2C(=C1O[H])C([H])([H])C([H])([H])C([H])([H])[C@]2([H])C1=NC([H])([H])C([H])([H])N1[H]	912.01
[H]C([H])=C([H])C([H])([H])N(C1=NC([H])([H])C([H])([H])N1[H])C1=C(Cl)C([H])=C([H])C([H])=C1Cl	6456.54
[H]OC1=C([H])C([H])=C(C([H])=C1O[H])[C@]([H])(O[H])[C@@]([H])(N([H])[H])C([H])([H])[H]	2630.27
[H]N([H])C1=NC2=C(S1)C([H])([H])C([H])([H])N(C([H])([H])C([H])=C([H])[H])C([H])([H])C2([H])[H]	297.07
[H]N(C1=NC([H])([H])C([H])([H])N1[H])C1=C(Cl)C([H])=C([H])C([H])=C1Cl	614.697675
[H]N1C([H])=NC([H])=C1[C@@]([H])(C1=C([H])C([H])=C([H])C(=C1C([H])([H])[H])C([H])([H])[H])C([H])([H])[H]	19.4984
[H]N([H])C(=N\N=C(/[H])C1=C(Cl)C([H])=C([H])C([H])=C1Cl)N([H])[H]	281.84
[H]C1=C([H])C(F)=C(C(Cl)=C1[H])[C@]1([H])C([H])([H])N2C(=NC([H])([H])C2([H])[H])C1([H])[H]	67.61
[H]C1=C([H])N(C(=N1)C([H])([H])[C@]1([H])OC2=C([H])C([H])=C([H])C([H])=C2OC1([H])[H])C([H])([H])C([H])([H])[H]	67.61
[H]N1C(=NC([H])([H])C1([H])[H])[C@]([H])(OC1=C(Cl)C([H])=C([H])C([H])=C1Cl)C([H])([H])[H]	111.32
[H]C1=C([H])C([H])=C2C(OC3=C2C([H])([H])C([H])([H])N2C([H])([H])C([H])([H])[C@@]4(N(C(=O)N(C([H])([H])[H])C([H])([H])C4([H])[H])C([H])([H])[H])C([H])([H])[C@@]32[H])=C1[H]	0.89
[H]N1C(=NC([H])([H])C1([H])[H])C([H])([H])C1=C2C([H])=C([H])C([H])=C([H])C2=C([H])C([H])=C1[H]	407.38
[H]C1=C([H])C2=C([H])C([H])=C([H])C([H])=C2C([H])=C1[H]	16.98
[H]OC1=C(O[H])C([H])=C(C([H])=C1[H])[C@@]([H])(O[H])C([H])([H])N([H])[H]	802.170275
[H]N(C1=[N+]([H])C([H])([H])C([H])([H])O1)C([H])(C1([H])C([H])([H])C1([H])[H])C1([H])C([H])([H])C1([H])[H]	890.23
[H]N(C1=NC([H])([H])C([H])([H])N1[H])C1=C(C([H])=C([H])C([H])=C1C([H])([H])C([H])([H])[H])C([H])([H])C([H])([H])[H]	794.33
[H]N1C(=NC([H])([H])C1([H])[H])C([H])([H])C1=C([H])C([H])=C([H])C([H])=C1[H]	3162.28
[H]N(C1=NC([H])([H])C([H])([H])N1[H])C1=C2C(=C([H])C([H])=C1[H])C([H])([H])C([H])([H])C([H])([H])C2([H])[H]	138.04
[H]N(C1=NC([H])([H])C([H])([H])N1[H])C1=C(Br)C2=NC([H])=C([H])N=C2C([H])=C1[H]	954.99
[H]N(C1=NC([H])([H])C([H])([H])C([H])([H])S1)C1=C(C([H])=C([H])C([H])=C1C([H])([H])[H])C([H])([H])[H]	3467.37
[H]N1C(=NC([H])([H])C1([H])[H])C([H])([H])C1=C(C([H])=C(C([H])=C1C([H])([H])[H])C(C([H])([H])[H])(C([H])([H])[H])C([H])([H])[H])C([H])([H])[H]	1047.13
[H]N1C2=C([H])C([H])=C([H])C(=C2C([H])([H])C1=O)C([H])([H])C([H])([H])N(C([H])([H])C([H])([H])C([H])([H])[H])C([H])([H])C([H])([H])C([H])([H])[H]	758.58
[H]N([H])C(=O)C1=C([H])C2=C(C([H])=C1[H])C([H])([H])C([H])([H])[C@]1([H])N(C([H])([H])C([H])([H])C([H])([H])[H])C([H])([H])C([H])([H])O[C@@]21[H]	1659.59
[H]N1C([H])([H])[C@]2([H])OC3=C(O[C@]2([H])C1([H])[H])C(F)=C([H])C([H])=C3[H]	1.25
[H]OC1=C([H])C([H])=C2C(=C1O[H])C1=C3C(=C([H])C([H])=C1[H])C([H])([H])C([H])([H])N(C([H])([H])[H])[C@]3([H])C2([H])[H]	66.07
[H]O[C@@]12O[C@@](N([H])C(=O)[C@]3([H])C([H])=C4C5=C([H])C([H])=C([H])C6=C5C(=C(Br)N6[H])C([H])([H])[C@@]4([H])N(C([H])([H])[H])C3([H])[H])(C(=O)N1[C@]([H])(C(=O)N1C([H])([H])C([H])([H])C([H])([H])[C@@]21[H])C([H])([H])C([H])(C([H])([H])[H])C([H])([H])[H])C([H])(C([H])([H])[H])C([H])([H])[H]	34.67
[H]C([H])=C([H])C([H])([H])N1C([H])([H])[C@@]([H])(C(=O)N(C(=O)N([H])C([H])([H])C([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@]2([H])C3=C4C(N([H])C([H])=C4C([H])([H])[C@]12[H])=C([H])C([H])=C3[H]	72.44
[H]N(C(=O)N(C([H])([H])C([H])([H])[H])C([H])([H])C([H])([H])[H])[C@]1([H])C([H])=C2C3=C([H])C([H])=C([H])C4=C3C(=C([H])N4[H])C([H])([H])[C@@]2([H])N(C([H])([H])[H])C1([H])[H]	0.13
[H]N1C([H])=C2C3=C(C([H])=C([H])C([H])=C13)[C@@]1([H])C([H])([H])[C@@]([H])(C([H])([H])SC([H])([H])[H])C([H])([H])N(C([H])([H])C([H])([H])C([H])([H])[H])[C@]1([H])C2([H])[H]	32.36
[H]N([H])C1=NC2=C(S1)C([H])([H])[C@@]([H])(N([H])C([H])([H])C([H])([H])C([H])([H])[H])C([H])([H])C2([H])[H]	630.96
[H]N1N=C([H])C2=C1C([H])([H])[C@@]1([H])C([H])([H])C([H])([H])C([H])([H])N(C([H])([H])C([H])([H])C([H])([H])[H])[C@]1([H])C2([H])[H]	2511.89
[H]OC1=C([H])C2=C(N([H])C([H])=C2C([H])([H])C([H])([H])C([H])([H])C([H])([H])N2C([H])([H])C([H])=C(C3=C([H])C([H])=C([H])C([H])=C3[H])C([H])([H])C2([H])[H])C([H])=C1[H]	4.57
[H]N(C(=O)N(C([H])([H])C([H])([H])[H])C([H])([H])C([H])([H])[H])[C@]1([H])C([H])([H])N(C([H])([H])[H])[C@]2([H])C([H])([H])C3=C([H])N([H])C4=C3C(=C([H])C([H])=C4[H])[C@@]2([H])C1([H])[H]	0.45
[H]OC1=C(O[H])C([H])=C2C(=C1[H])C([H])([H])C([H])([H])[C@]([H])(C2([H])[H])[N+]([H])(C([H])([H])[H])C([H])([H])[H]	52.48
[H]N([H])[C@@]([H])(C(=O)C1=C([H])C([H])=C([H])C([H])=C1[H])C([H])([H])[H]	918
[H]O[C@@]([H])(C1=C([H])C([H])=C([H])C([H])=C1[H])[C@]([H])(N([H])C([H])([H])[H])C([H])([H])[H]	1259
[H]N(C([H])([H])[H])[C@@]([H])(C(=O)C1=C([H])C([H])=C([H])C([H])=C1[H])C([H])([H])[H]	1542
[H]O[C@@]([H])(C1=C([H])C([H])=C([H])C([H])=C1[H])[C@@]([H])(N([H])[H])C([H])([H])[H]	2895
[H]N([H])C1=N[C@]2(C([H])([H])O1)C([H])([H])C1=C(C([H])=C([H])C([H])=C1[H])C([H])([H])C2([H])[H]	2.3082
[H]N(N1C([H])([H])C([H])([H])C([H])([H])C([H])([H])C1([H])[H])C(=O)C1=NN(C(=C1C([H])([H])C([H])([H])[H])C1=C([H])C([H])=C(Br)C([H])=C1[H])C1=C([H])C([H])=C(Cl)C([H])=C1Cl	1000
[H]O[C@@]([H])(C([H])([H])OC1=C([H])C([H])=C([H])C2=C1C1=C([H])C([H])=C([H])C([H])=C1N2[H])C([H])([H])N([H])[C@@]([H])(C([H])([H])[H])C([H])([H])F	9425
[H]N(C1=N[C@@]([H])(C([H])([H])[H])C([H])([H])N1[H])C1=C(Cl)C([H])=C([H])C([H])=C1Cl	1318.26
[H]N(C1=N[C@]([H])(C([H])([H])[H])C([H])([H])O1)C([H])(C1([H])C([H])([H])C1([H])[H])C1([H])C([H])([H])C1([H])[H]	2818.38
[H]N(C1=N[C@@]([H])(C([H])([H])[H])C([H])([H])C1([H])[H])C1=C(Cl)C([H])=C(I)C([H])=C1[H]	4168.69
[H]N(C1=NC([H])([H])C([H])([H])C1([H])[H])C1=C(Cl)C([H])=C([H])C([H])=C1[H]	933.25
[H]C([H])(N1[C@@]2([H])C([H])([H])C([H])([H])[C@]1([H])C([H])([H])C2([H])[H])[C@@]12[C@@]3([H])[C@]4([H])[C@@]5([H])[C@@]([H])([C@]14[H])[C@]2([H])[C@@]35[H]	4241
[H]N1C([H])=NC(=C1[H])[C@@]12C([H])([H])[C@@]1(C1=C([H])C([H])=C([H])C([H])=C1C2([H])[H])C([H])([H])[H]	0.558
[H]N1C([H])=NC(=C1[H])[C@]12C([H])([H])C3=C([H])C([H])=C([H])C([H])=C3[C@@]1([H])[C@]2([H])C([H])([H])C([H])([H])C([H])([H])[H]	0.347
[H]N1C([H])=NC(=C1[H])[C@@]12C([H])([H])[C@]1([H])C1=C([H])C([H])=C([H])C([H])=C1[C@]21C([H])([H])C1([H])[H]	2.815
[H]N1C([H])=NC(=C1[H])[C@@]12C([H])([H])[C@]1([H])C1=C([H])C([H])=C([H])C([H])=C1[C@]2([H])C([H])([H])[H]	0.692
[H]N1C([H])=NC(=C1[H])[C@@]12C([H])([H])[C@]1([H])C1=C([H])C([H])=C([H])C([H])=C1[C@]2([H])OC([H])(C([H])([H])[H])C([H])([H])[H]	10.76
[H]N1C([H])=NC(=C1[H])[C@@]12C([H])([H])[C@]1([H])C1=C([H])C([H])=C([H])C([H])=C1[C@]2([H])OC([H])([H])C([H])([H])C([H])([H])[H]	6.46
[H]N1C([H])=NC(=C1[H])[C@@]12C([H])([H])[C@]1([H])C1=C([H])C([H])=C([H])C([H])=C1[C@]2([H])OC([H])([H])[H]	15.875
[H]N1C([H])=NC(=C1[H])[C@@]12C([H])([H])[C@]1([H])C1=C([H])C([H])=C([H])C([H])=C1C2([H])[H]	0.115
[H]N1C([H])=NC(=C1[H])[C@]12C([H])([H])C3=C([H])C([H])=C([H])C([H])=C3[C@@]1([H])C2(C([H])([H])[H])C([H])([H])[H]	1.15
[H]N1C(=NC([H])([H])C1([H])[H])[C@]([H])(OC1=C([H])C([H])=C([H])C([H])=C1[H])C([H])([H])[H]	165.96
[H]N1C(=NC([H])([H])C1([H])[H])[C@]([H])(OC1=C(C([H])=C([H])C([H])=C1[H])C1=C([H])C([H])=C([H])C([H])=C1[H])C([H])([H])[H]	606.8775
[H]N1C(=NC([H])([H])C1([H])[H])[C@]([H])(OC1=C([H])C([H])=C([H])C([H])=C1C1=C([H])C(=C([H])C([H])=C1[H])[N+]([O-])=O)C([H])([H])[H]	741.31
[H]C([H])=C([H])C([H])([H])C1=C(O[C@@]([H])(C2=NC([H])([H])C([H])([H])N2[H])C([H])([H])[H])C([H])=C([H])C([H])=C1[H]	699.055
[H]N1C(=NC([H])([H])C1([H])[H])[C@]([H])(OC1=C(C([H])=C([H])C([H])=C1[H])C1([H])C([H])([H])C1([H])[H])C([H])([H])[H]	1735.655
[H]N1C(=NC([H])([H])C1([H])[H])[C@@]([H])(OC1=C([H])C([H])=C([H])C([H])=C1C1=C([H])SC([H])=C1[H])C([H])([H])[H]	723.34
[H]OC1=C([H])C(=C([H])C([H])=C1[H])C1=C([H])C([H])=C([H])C([H])=C1O[C@]([H])(C1=NC([H])([H])C([H])([H])N1[H])C([H])([H])[H]	2801.44
[H]N1C(O[C@@]([H])(C2=C([H])C([H])=C([H])C([H])=C2[H])C([H])([H])[H])=NC([H])([H])C1([H])[H]	165.96
[H]C([H])=C([H])C([H])([H])C1=C(C([H])=C([H])C([H])=C1[H])[C@]([H])(OC1=NC([H])([H])C([H])([H])N1[H])C([H])([H])[H]	669.42
[H]N1C(O[C@@]([H])(C2=C(C([H])=C([H])C([H])=C2[H])C([H])([H])[H])C([H])([H])[H])=NC([H])([H])C1([H])[H]	2640.51
[H]N1C(O[C@@]([H])(C2=C(C([H])=C([H])C([H])=C2[H])C([H])([H])C([H])([H])C([H])([H])[H])C([H])([H])[H])=NC([H])([H])C1([H])[H]	1252.085
[H]N1C(=NC([H])([H])C1([H])[H])C([H])([H])OC1=C(C([H])=C([H])C([H])=C1[H])C1([H])C([H])([H])C1([H])[H]	762.405
[H]N1C(OC([H])([H])C2=C(C([H])=C([H])C([H])=C2[H])C([H])([H])[H])=NC([H])([H])C1([H])[H]	1455
[H]N1C(OC([H])([H])C2=C(C([H])=C([H])C([H])=C2[H])C([H])([H])C([H])([H])C([H])([H])[H])=NC([H])([H])C1([H])[H]	305.6
[H]N1C([H])=NC(=C1[H])[C@@]1(C([H])([H])C([H])([H])[H])C([H])([H])C2=C([H])C([H])=C(F)C([H])=C2C1([H])[H]	6.76
[H]N1C([H])=NC([H])=C1C1(C([H])([H])C([H])([H])[H])C([H])([H])C2=C([H])C([H])=C([H])C([H])=C2C1([H])[H]	2.24
[H]C1=C([H])C([H])=C2C(=N1)N1C([H])([H])C([H])([H])N(C([H])([H])[H])C([H])([H])[C@]1([H])C1=C(C([H])=C([H])C([H])=C1[H])C2([H])[H]	223.87
[H]N1C(=NC([H])([H])C1([H])[H])[C@]([H])(OC1=C(C([H])=C([H])C([H])=C1[H])C1([H])C([H])([H])C([H])([H])C([H])([H])C1([H])[H])C([H])([H])[H]	345.87
[H]N1C(=NC([H])([H])C1([H])[H])[C@]([H])(OC1=C(\C([H])=N\OC([H])([H])C([H])([H])[H])C([H])=C([H])C([H])=C1[H])C([H])([H])[H]	446.68
[H]N1C(=NC([H])([H])C1([H])[H])[C@]([H])(OC1=C(\C([H])=N\OC([H])([H])[H])C([H])=C([H])C([H])=C1[H])C([H])([H])[H]	1202.26
[H]O\N=C(/[H])C1=C(O[C@@]([H])(C2=NC([H])([H])C([H])([H])N2[H])C([H])([H])[H])C([H])=C([H])C([H])=C1[H]	2344.51
[H]N1C(=NC([H])([H])C1([H])[H])[C@]([H])(OC1=C([H])C([H])=C([H])C([H])=C1[H])C1=C([H])C([H])=C([H])C([H])=C1[H]	47.86
[H]N1C(=NC([H])([H])C1([H])[H])[C@]1([H])OC2=C([H])C([H])=C([H])C(=C2OC1([H])[H])C1=C([H])C([H])=C([H])C([H])=C1[H]	6830.385
[H]N1C(=NC([H])([H])C1([H])[H])[C@]([H])(OC1=C(C([H])=C([H])C([H])=C1[H])C1([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C1([H])[H])C([H])([H])[H]	195.275
[H]N1C(=NC([H])([H])C1([H])[H])[C@]1([H])OC2=C([H])C(=C([H])C([H])=C2OC1([H])[H])C1=C([H])C([H])=C([H])C([H])=C1[H]	1329.795
[H]N1C(=NC([H])([H])C1([H])[H])[C@]1(OC([H])([H])[H])OC2=C(C([H])=C([H])C([H])=C2OC1([H])[H])C1=C([H])C([H])=C([H])C([H])=C1[H]	1071.52
[H]N1C(=NC([H])([H])C1([H])[H])[C@]([H])(OC1=C(C([H])=C([H])C([H])=C1[H])C1=C([H])C([H])=C([H])C([H])=C1[H])C1=C([H])C([H])=C([H])C([H])=C1[H]	954.99
CC(OC1=C(CC2CC2)C=CC=C1)C1=NCCN1	1859.345
CC(OC1=C(Br)C=CC=C1)C1=NCCN1	335.52
CC(OC1=C(C=CC=C1)C(F)(F)F)C1=NCCN1	930.845
[H]N1C(=NC([H])([H])C1([H])[H])[C@@]([H])(OC1=C(C([H])=C([H])C([H])=C1[H])C([H])(C([H])([H])[H])C([H])([H])[H])C([H])([H])[H]	592.22
CC(OC1=C(C=CC=C1)C(C)=C)C1=NCCN1	1227.925
CC(OC1=C(OC2CC2)C=CC=C1)C1=NCCN1	6964.815
CC(OC1=C(C=O)C=CC=C1)C1=NCCN1	1202.765
[H]N1C(=NC([H])([H])C1([H])[H])[C@@]([H])(OC1=C(C([H])=C([H])C([H])=C1C([H])([H])C([H])([H])[H])C([H])([H])C([H])([H])[H])C([H])([H])[H]	634.575
[H]C([H])=C([H])C([H])([H])C1=C([H])C([H])=C([H])C(=C1O[C@]([H])(C1=NC([H])([H])C([H])([H])N1[H])C([H])([H])[H])C([H])([H])C([H])=C([H])[H]	388.305
CC(OC1=C(C=CC=C1C1=CC=CC=C1)C1=CC=CC=C1)C1=NCCN1	2385.44
CC(OC1=C(Cl)C=CC=C1)C1=NCCN1	246.655
[H]N1C(=NC([H])([H])C1([H])[H])[C@@]([H])(OC1=C([H])C([H])=C([H])C([H])=C1C([H])([H])C([H])([H])[H])C([H])([H])[H]	5140.92
CC(OC1=C(OC=C)C=CC=C1)C1=NCCN1	3162.28
CC(OC1=C(C=CC=C1)C(C)=O)C1=NCCN1	3230.535
[H]N1C(=NC([H])([H])C1([H])[H])[C@@]([H])(OC1=C(C([H])=C([H])C([H])=C1C([H])([H])[H])C([H])([H])[H])C([H])([H])[H]	830.54
[H]N1C(=NC([H])([H])C1([H])[H])[C@@]([H])(OC1=C(OC([H])(C([H])([H])[H])C([H])([H])[H])C([H])=C([H])C([H])=C1[H])C([H])([H])[H]	1661.345
C1CN=C(N1)C1COCC(O1)(C1=CC=CC=C1)C1=CC=CC=C1	4466.84
C1CN=C(N1)C1COC(CO1)(C1=CC=CC=C1)C1=CC=CC=C1	2818.38