smile	binding.affinity
[H]N(C1=NC(N([H])C2=C([H])C(Cl)=C([H])C([H])=C2[H])=C2C([H])=NN(C2=N1)C([H])([H])[H])C1=C([H])C(Cl)=C([H])C([H])=C1[H]	4500
[H]N(C1=C2C([H])=NN(C2=NC(Cl)=N1)C([H])([H])[H])C([H])([H])C([H])([H])C1=C([H])C([H])=C([H])C([H])=C1[H]	2600
[H]OC([H])([H])[C@]1([H])O[C@]([H])(O[C@]2([H])[C@]([H])(O[H])[C@@]([H])(O[C@]3([H])[C@@]([H])(O[C@]4([H])[C@@]([H])(O[C@]([H])(O[C@]5([H])C([H])([H])[C@]6([H])C([H])([H])C([H])([H])[C@]7([H])[C@]8([H])[C@@]([H])(O[H])[C@]9([H])O[C@]%10(OC([H])([H])[C@@]([H])(C([H])([H])[H])C([H])([H])C%10([H])[H])[C@]([H])(C([H])([H])[H])[C@@]9([H])[C@]8(C([H])([H])[H])C([H])([H])C([H])([H])[C@@]7([H])[C@]6(C([H])([H])[H])C([H])([H])[C@@]5([H])O[H])[C@@]([H])(O[H])[C@@]4([H])O[H])C([H])([H])O[H])O[C@@]([H])(C([H])([H])O[H])[C@@]([H])(O[H])[C@]3([H])O[C@@]3([H])OC([H])([H])[C@@]([H])(O[H])[C@]([H])(O[H])[C@]3([H])O[H])O[C@@]([H])(C([H])([H])O[H])[C@@]2([H])O[H])[C@@]([H])(O[H])[C@@]([H])(O[H])[C@]1([H])O[H]	9700
[H]OC1=C([H])C([H])=C(\C([H])=C(/OC([H])([H])[H])C(=O)N([H])C(\[H])=C(/[H])C2=C([H])C(Br)=C(OC([H])([H])[H])C(Br)=C2[H])C([H])=C1[H]	5616.5
[H]OC1=C([H])C([H])=C(\C([H])=C(/OC([H])([H])[H])C(=O)N([H])C(\[H])=C(/[H])C2=C([H])C([H])=C(OC([H])([H])[H])C(Br)=C2[H])C([H])=C1[H]	8208.2
[H]OC1=C([H])C([H])=C(\C([H])=C(/OC([H])([H])[H])C(=O)N([H])C(\[H])=C(/[H])C2=C([H])C([H])=C(OC([H])([H])[H])C([H])=C2[H])C([H])=C1[H]	6400
[H]N1C2=C(C([H])=C([H])C(OC([H])([H])[H])=C2[H])C2=C1[C@]([H])(C([H])=C(C([H])([H])[H])C([H])([H])[H])N1C(=O)[C@@]3([H])N(C(=O)[C@]1([H])C2([H])[H])C([H])([H])C([H])([H])C3([H])[H]	1047.5
[H]OC1=C([H])C([H])=C(\C([H])=C(/[H])N([H])C(=O)C(\OC([H])([H])[H])=C(/[H])C2=C([H])C([H])=C(O[H])C([H])=C2[H])C([H])=C1[H]	8358.35
[H]OC(=O)C1=C([H])C([H])=C(\C([H])=N\N=C2C3=C([H])C([H])=C([H])C([H])=C3C3=C([H])C([H])=C([H])C([H])=C23)C([H])=C1[H]	4300
[H]C1=C([H])C2=C(C3=C([H])C(OC([H])([H])[H])=C(OC([H])([H])[H])C([H])=C13)[N+](=C([H])C1=C([H])C(OC([H])([H])[H])=C(OC([H])([H])[H])C([H])=C21)C([H])([H])[H]	3900
[H]C1=NC([H])=C([H])C(=C1[H])C(=O)N1N=C(C([H])([H])[H])[C@]([H])(\N=N\C2=C([H])C3=C([H])C([H])=C([H])C([H])=C3C([H])=C2[H])C1=O	5800
[H]OC1=C([H])C2=C([H])C([H])=C([H])C([H])=C2C([H])=C1C(=[O+][H])N([H])C1=C(C([H])=C(C([H])=C1[H])C([H])([H])[H])C([H])([H])[H]	5400
[H]N([H])\N=C1/C(OC(=O)N([H])C2=C([H])C(Cl)=C([H])C([H])=C2[H])=NC2=C([H])C([H])=C([H])C([H])=C12	4600
[H]N1C(=O)C([H])=C(C2=C([H])C3=C(OC4=C([H])C([H])=C([H])C([H])=C34)C([H])=C12)C([H])([H])[H]	3700
[H]OC1=C([H])C([H])=C(\C([H])=C(/OC([H])([H])[H])C(=O)N([H])C(\[H])=C(/[H])C2=C([H])C(Br)=C(O[H])C(Br)=C2[H])C([H])=C1[H]	3453.45
[H]OC1=C([H])C([H])=C([H])C2=C1O[C@@]([H])(OC([H])([H])[H])C1=C2C(=O)C2=C(O[H])C(=C(OC([H])([H])[H])C([H])=C2O1)C([H])([H])[H]	2500
[H]OC1=C([H])C([H])=C([H])C2=C1O[C@]([H])(OC([H])([H])[H])C1=C2C(=O)C2=C(O[H])C([H])=C(OC([H])([H])[H])C([H])=C2O1	700
[H]N(C(=O)C1=C([H])C([H])=C([H])C2=C1N([H])C1=C(C([H])=C([H])C([H])=C1[H])C2=O)C([H])([H])C([H])([H])C1=C([H])C(OC([H])([H])[H])=C(OC([H])([H])[H])C([H])=C1[H]	450
[H]N1C2=C(C([H])=C([H])C([H])=C2[H])C(=O)C2=C1C([H])=C(OC([H])([H])[H])C([H])=C2OC([H])([H])[H]	7900
[H]N1C2=C(C([H])=C([H])C([H])=C2[H])C(=O)C2=C1C([H])=C([H])C([H])=C2OC([H])([H])[H]	6300
[H]N(C(=O)C1=C([H])C([H])=C([H])C2=C1N([H])C1=C(C([H])=C([H])C([H])=C1[H])C2=O)C([H])([H])C([H])([H])C1=C([H])C([H])=C(OC([H])([H])[H])C([H])=C1[H]	350
[H]N1C2=C(C([H])=C([H])C([H])=C2[H])C(=O)C2=C1C([H])=C(C([H])=C2OC([H])([H])[H])C(F)(F)F	770
[H]N1C2=C([H])C([H])=C([H])C([H])=C2C(=O)C2=C([H])C(OC([H])([H])[H])=C([H])C([H])=C12	4800
[H]N(C(=O)C1=C([H])C([H])=C([H])C2=C1N([H])C1=C(C([H])=C([H])C(OC([H])([H])[H])=C1[H])C2=O)C([H])([H])C([H])([H])C1=C([H])C([H])=C(OC([H])([H])[H])C([H])=C1[H]	560
[H]N(C(=O)C1=C2N([H])C3=C(C([H])=C([H])C([H])=C3OC([H])([H])[H])C(=O)C2=C([H])C([H])=C1[H])C1=C([H])C([H])=C(C([H])=C1[H])C([H])([H])C([H])([H])N1C([H])([H])C2=C(C([H])=C(OC([H])([H])[H])C(OC([H])([H])[H])=C2[H])C([H])([H])C1([H])[H]	325
[H]N(C(=O)C1=C([H])C([H])=C([H])C2=C1N([H])C1=C(C([H])=C([H])C(OC([H])([H])[H])=C1[H])C2=O)C([H])([H])C([H])([H])C1=C([H])C(OC([H])([H])[H])=C(OC([H])([H])[H])C([H])=C1[H]	1380
[H]N(C1=C([H])C([H])=C([H])C([H])=C1C([H])([H])C([H])([H])C1=C([H])C([H])=C([H])C(OC([H])([H])[H])=C1[H])C([H])([H])C1=C([H])C(OC([H])([H])[H])=C(OC([H])([H])[H])C([H])=C1[H]	500
[H]N(C1=C([H])C([H])=C([H])C([H])=C1C([H])([H])C([H])([H])C1=C([H])C([H])=C([H])C(OC([H])([H])[H])=C1[H])C([H])([H])C1=C(OC([H])([H])[H])C(OC([H])([H])[H])=C([H])C([H])=C1[H]	1500
[H]N(C(=O)C1=C([H])C([H])=C(C([H])=C1[H])[N+]([O-])=O)C1=C([H])C([H])=C(C([H])=C1[H])C([H])([H])C([H])([H])N1C([H])([H])C2=C([H])C(OC([H])([H])[H])=C(OC([H])([H])[H])C([H])=C2C([H])([H])C1([H])[H]	6920
[H]N(C(=O)N([H])C1=C([H])C([H])=C([H])C([H])=C1[N+]([O-])=O)C1=C([H])C([H])=C(C([H])=C1[H])C([H])([H])C([H])([H])N1C([H])([H])C2=C([H])C([H])=C([H])C([H])=C2C([H])([H])C1([H])[H]	7735
[H]N(C(=O)N([H])C1=C([H])C([H])=C([H])C([H])=C1[N+]([O-])=O)C1=C([H])C([H])=C(C([H])=C1[H])C([H])([H])C([H])([H])N1C([H])([H])C2=C([H])C(OC([H])([H])[H])=C(OC([H])([H])[H])C([H])=C2C([H])([H])C1([H])[H]	9640
[H]N(C(=O)N([H])C1=C(N([H])C(=O)C2=C([H])C([H])=C(OC([H])([H])[H])C(OC([H])([H])[H])=C2[H])C([H])=C([H])C([H])=C1[H])C1=C([H])C([H])=C(C([H])=C1[H])C([H])([H])C([H])([H])N1C([H])([H])C2=C([H])C(OC([H])([H])[H])=C(OC([H])([H])[H])C([H])=C2C([H])([H])C1([H])[H]	8590
[H]N(C(=O)C1=C(N([H])C(=O)C2=C([H])C([H])=C(OC([H])([H])[H])C(OC([H])([H])[H])=C2[H])C([H])=C([H])C([H])=C1[H])C1=C([H])C([H])=C(C([H])=C1[H])C([H])([H])C([H])([H])N1C([H])([H])C2=C([H])C(OC([H])([H])[H])=C(OC([H])([H])[H])C([H])=C2C([H])([H])C1([H])[H]	930
[H]N(C(=O)C1=C(N([H])C(=O)C2=C([H])C([H])=C(C([H])=C2[H])[N+]([O-])=O)C([H])=C([H])C([H])=C1[H])C1=C([H])C([H])=C(C([H])=C1[H])C([H])([H])C([H])([H])N1C([H])([H])C2=C([H])C(OC([H])([H])[H])=C(OC([H])([H])[H])C([H])=C2C([H])([H])C1([H])[H]	660
[H]N(C(=O)N([H])C1=C(C([H])=C([H])C([H])=C1[H])C(=O)N([H])C1=C([H])C([H])=C(C([H])=C1[H])C([H])([H])C([H])([H])N1C([H])([H])C2=C([H])C(OC([H])([H])[H])=C(OC([H])([H])[H])C([H])=C2C([H])([H])C1([H])[H])C1=C([H])C([H])=C(C([H])=C1[H])[N+]([O-])=O	520
[H]N1C2=C(C([H])=C([H])C(OC([H])([H])[H])=C2[H])C2=C1[C@@]([H])(N1C(=O)[C@@]([H])(N([H])C(=O)[C@]1([H])C2([H])[H])C([H])([H])C([H])([H])C(=O)OC(C([H])([H])[H])(C([H])([H])[H])C([H])([H])[H])C([H])([H])C([H])(C([H])([H])[H])C([H])([H])[H]	227.5
[H]N(C(=O)N([H])C1=C([H])C([H])=C(C([H])=C1[H])C([H])([H])C([H])([H])N1C([H])([H])C2=C([H])C(OC([H])([H])[H])=C(OC([H])([H])[H])C([H])=C2C([H])([H])C1([H])[H])C1=C([H])C([H])=C(C([H])=C1[H])[N+]([O-])=O	3250
[H]N(C(=O)C1=C(N([H])C(=O)C2=C([H])C3=C([H])C([H])=C([H])C([H])=C3N=C2[H])C([H])=C(OC([H])([H])[H])C(OC([H])([H])[H])=C1[H])C1=C([H])C([H])=C(C([H])=C1[H])C([H])([H])C([H])([H])N1C([H])([H])C2=C([H])C(OC([H])([H])[H])=C(OC([H])([H])[H])C([H])=C2C([H])([H])C1([H])[H]	446.5
[H]N(C1=C([H])C(Cl)=C(F)C([H])=C1[H])C1=NC([H])=NC2=C1C([H])=C(OC([H])([H])C([H])([H])C([H])([H])N1C([H])([H])C([H])([H])OC([H])([H])C1([H])[H])C(OC([H])([H])[H])=C2[H]	1180
[H]N(C(=O)C1=C([H])C([H])=C(C([H])=C1[H])C([H])([H])N1C([H])([H])C([H])([H])N(C([H])([H])[H])C([H])([H])C1([H])[H])C1=C([H])C([H])=C(C(N([H])C2=NC([H])=C([H])C(=N2)C2=C([H])N=C([H])C([H])=C2[H])=C1[H])C([H])([H])[H]	3380
[H]OC1=C([H])C(OC([H])([H])[H])=C2C(=C1[H])C([H])=C(O[H])C1=C2OC(=C([H])C1=O)C([H])([H])C([H])([H])C([H])([H])[H]	9000
[H]OC1=C([H])C(OC([H])([H])[H])=C2C(=C1[H])C([H])=C(OC([H])([H])[H])C1=C2OC(=C([H])C1=O)C([H])([H])C([H])([H])C([H])([H])[H]	5900
[H]N(C(=O)C1=C([H])C(N([H])C(=O)C2=C([H])C3=C([H])C([H])=C([H])C([H])=C3N=C2[H])=C(C([H])=C1[H])C([H])([H])[H])C1=C([H])C([H])=C(C([H])=C1[H])C([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]	1990
[H]N(C(=O)C1=C([H])C(N([H])C(=O)C2=C([H])C3=C([H])C([H])=C([H])C([H])=C3N=C2[H])=C([H])C(OC([H])([H])[H])=C1[H])C1=C([H])C([H])=C(C([H])=C1[H])C([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]	977
[H]N(C(=O)C1=C([H])C(N([H])C(=O)C2=C([H])C3=C([H])C([H])=C([H])C([H])=C3N=C2[H])=C(OC([H])([H])[H])C(OC([H])([H])[H])=C1[H])C1=C([H])C([H])=C(C([H])=C1[H])C([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]	858
[H]N(C(=O)C1=C([H])C(N([H])C(=O)C2=C([H])C3=C([H])C([H])=C([H])C([H])=C3N=C2[H])=C(OC([H])([H])[H])C([H])=C1[H])C1=C([H])C([H])=C(C([H])=C1[H])C([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]	317
[H]N(C(=O)C1=C([H])C(N([H])C(=O)C2=NC([H])=C([H])N=C2[H])=C(C([H])=C1[H])C(=O)OC([H])([H])[H])C1=C([H])C([H])=C(C([H])=C1[H])C([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]	632
[H]N(C(=O)C1=C([H])C(N([H])C(=O)C2=NC([H])=C(N=C2[H])C([H])([H])[H])=C(C([H])=C1[H])C(=O)OC([H])([H])[H])C1=C([H])C([H])=C(C([H])=C1[H])C([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]	552
[H]N(C(=O)C1=C([H])C(N([H])C(=O)C2=C([H])C3=C([H])C([H])=C([H])N=C3C([H])=C2[H])=C(C([H])=C1[H])C(=O)OC([H])([H])[H])C1=C([H])C([H])=C(C([H])=C1[H])C([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]	175.5
[H]N(C(=O)C1=C([H])C(N([H])C(=O)C2=NC3=C([H])C([H])=C([H])C([H])=C3N=C2[H])=C(C([H])=C1[H])C(=O)OC([H])([H])[H])C1=C([H])C([H])=C(C([H])=C1[H])C([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]	183
[H]N(C(=O)C1=C([H])C(N([H])C(=O)C2=NC3=C([H])C([H])=C([H])C([H])=C3C([H])=C2[H])=C(C([H])=C1[H])C(=O)OC([H])([H])[H])C1=C([H])C([H])=C(C([H])=C1[H])C([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]	60
[H]N(C(=O)C1=C([H])C(N([H])C(=O)C2=C([H])C3=C([H])C([H])=C([H])C([H])=C3N=C2[H])=C(C([H])=C1[H])C(=O)OC([H])([H])[H])C1=C([H])C([H])=C(C([H])=C1[H])C([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]	119
[H]N(C(=O)C1=C([H])C(N([H])C(=O)C2=C([H])C([H])=C([H])N=C2[H])=C(C([H])=C1[H])C(=O)OC([H])([H])[H])C1=C([H])C([H])=C(C([H])=C1[H])C([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]	1015
[H]N(C(=O)C1=C([H])C([H])=C([H])O1)C1=C(C([H])=C([H])C(=C1[H])N(C([H])([H])[H])C([H])([H])[H])[P@](=O)(N([H])C1=C([H])C([H])=C([H])C(=C1[H])C(F)(F)F)N(C([H])([H])C([H])([H])[H])C([H])([H])C([H])([H])[H]	2290
[H]N1\C(N=C(N2C([H])([H])[C@]([H])(C([H])([H])[H])C([H])([H])[C@]([H])(C([H])([H])[H])C2([H])[H])C2=C([H])C([H])=C([H])C([H])=C12)=C1\C([H])=C([H])C([H])=C(OC([H])([H])[H])C1=O	1040
[H]N(C(=O)C1=C2C([H])=C([H])C([H])=C([H])N2C(=C1C([H])([H])[H])C([H])([H])C([H])([H])C1=C([H])C([H])=NC([H])=C1[H])C1=C([H])C([H])=C(F)C([H])=C1[H]	6840
[H]C1=C([H])C(=C([H])C([H])=C1C#N)C([H])([H])OC(=O)C1=C([H])C(=C(C([H])=C1[H])N1C([H])([H])C([H])([H])C([H])([H])C1([H])[H])[N+]([O-])=O	450
[H]N(\N=C(/[H])C1=C([H])C(=C(OC([H])([H])[H])C([H])=C1[H])C([H])([H])N1C([H])([H])C([H])([H])N(C2=C([H])C([H])=C(F)C([H])=C2[H])C([H])([H])C1([H])[H])C(=O)C1=C([H])C([H])=C([H])C([H])=C1F	4070
[H]N(C(=O)C1=C(Cl)C([H])=C([H])C(=N1)N1N=C(C([H])=C1C([H])([H])[H])C([H])([H])[H])C1=C(Cl)C([H])=C([H])C(=C1[H])C(F)(F)F	240
[H]\C(=C(\[H])C1=C([H])N(N=C1C1=C([H])C([H])=C(OC([H])([H])[H])C([H])=C1[H])C1=C([H])C([H])=C([H])C([H])=C1[H])C(=O)N1C([H])([H])C([H])([H])N(C2=C([H])C([H])=C([H])C([H])=N2)C([H])([H])C1([H])[H]	410
[H]N(C(=O)C1=C([H])C([H])=C([H])C2=C1C(=O)N(C([H])([H])C([H])([H])OC([H])([H])[H])C2([H])[H])C1=C([H])C([H])=C(OC([H])([H])C([H])([H])[H])C([H])=C1[H]	1600
[H]N(C(=O)[C@]([H])(OC(=O)C1=C([H])C([H])=C(C([H])=C1[H])N(C([H])([H])[H])C([H])([H])[H])C1=C([H])C([H])=C([H])C([H])=C1[H])C1=C([H])C([H])=C([H])C([H])=C1OC([H])([H])C([H])([H])[H]	2750
[H]OC([H])([H])C([H])([H])N([H])C1=NC(=NC(Cl)=N1)N([H])C1=C([H])C([H])=C(C([H])=C1[H])[N+]([O-])=O	4630
[H]C1=C([H])C(=C(C(F)=C1[H])C([H])([H])SC1=C(C#N)C(=C([H])C(=N1)C([H])([H])[H])C([H])([H])[H])[N+]([O-])=O	3820
[H]N(C(=O)C1=C(OC([H])([H])[H])C([H])=C([H])C(=C1[H])C([H])([H])N1C(=O)C2=C([H])C([H])=C([H])C([H])=C2C1=O)C1=C([H])C([H])=C([H])C([H])=C1N1C([H])([H])C([H])([H])OC([H])([H])C1([H])[H]	340
[H]C1=C(N(C([H])([H])[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])C([H])([H])C([H])([H])[C@@]2([H])C1=C([H])C(=C(C#N)C#N)C([H])([H])C2([H])[H]	4420
[H]OC1=C(OC([H])([H])[H])C([H])=C(C([H])=C1[H])C(=O)N([H])\N=C(/[H])C1=C([H])C(=C(OC([H])([H])[H])C([H])=C1[H])C([H])([H])N1C([H])([H])C([H])([H])N(C2=C([H])C([H])=C(F)C([H])=C2[H])C([H])([H])C1([H])[H]	760
[H]N(C(=O)[C@]([H])(N(C(=O)C([H])([H])C1=C([H])C([H])=C([H])S1)C([H])([H])C1=C([H])C([H])=C([H])C([H])=C1[H])C1=C([H])C([H])=C(C([H])=C1[H])C(=O)OC([H])([H])[H])C1([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C1([H])[H]	4600
[H]\C(N(C([H])([H])[H])C([H])([H])[H])=C1/C(=O)N(N=C1C([H])([H])[H])C1=C([H])C([H])=C(C([H])=C1[H])[N+]([O-])=O	4000
[H]C1=C(Br)OC(=C1[H])C1=NOC(=N1)C1=C([H])C([H])=C([H])C([H])=C1[N+]([O-])=O	4880
[H]N(C(=O)C1=C([H])C([H])=C([H])S1)C1=C(C([H])=C([H])C(=C1[H])N(C([H])([H])[H])C([H])([H])[H])[P@](=O)(N([H])C1=C([H])C([H])=C([H])C(=C1[H])C(F)(F)F)N1C([H])([H])C([H])([H])OC([H])([H])C1([H])[H]	1210
[H]N([C@]([H])(C(=O)OC([H])([H])C1=C([H])C(=C([H])C2=C1OC([H])([H])OC2([H])[H])[N+]([O-])=O)C([H])(C([H])([H])[H])C([H])([H])[H])S(=O)(=O)C1=C([H])C([H])=C([H])C([H])=C1[H]	1570
[H]N(C(=O)C([H])([H])OC1=C([H])C([H])=C(C([H])=C1[H])C1=C([H])C([H])=C(C#N)C([H])=C1[H])C([H])([H])C([H])([H])C1=C([H])C([H])=C([H])C([H])=C1[H]	3760
[H]N(C(=O)C([H])([H])SC1=NC([H])=C([H])C([H])=N1)C1=C(C(=O)OC([H])([H])C([H])([H])[H])C2=C(S1)C([H])([H])N(C([H])([H])C1=C([H])C([H])=C([H])C([H])=C1[H])C([H])([H])C2([H])[H]	1880
[H]N(C(=O)C1=C([H])C(OC([H])([H])[H])=C(OC([H])([H])[H])C(OC([H])([H])[H])=C1[H])C1=C([H])C([H])=C(C([H])=C1[H])S(=O)(=O)N([H])C([H])(C([H])([H])[H])C([H])([H])[H]	1320
[H]OC1=C([H])C([H])=C(C([H])=C1[H])C1=C([H])C(=O)C2=C(O[H])C([H])=C(O[H])C([H])=C2O1	4500
[H]OC1=C([H])C(O[H])=C2C(=O)C([H])=C(OC2=C1[H])C1=C([H])C([H])=C([H])C([H])=C1[H]	2050
[H]OC1=C([H])C([H])=C(C([H])=C1[H])C1=C(O[H])C(=O)C2=C(O[H])C([H])=C(O[H])C([H])=C2O1	5450
[H]OC1=C([H])C(O[H])=C2C(=O)C(O[H])=C(OC2=C1[H])C1=C([H])C(O[H])=C(O[H])C([H])=C1[H]	7250
[H]OC1=C([H])C([H])=C(C([H])=C1[H])C1=C(OC([H])([H])[H])C(=O)C2=C(O1)C([H])=C(OC([H])([H])[H])C(OC([H])([H])[H])=C2O[H]	1600
[H]OC1=C([H])C(=C([H])C([H])=C1OC([H])([H])[H])C1=C(OC([H])([H])[H])C(=O)C2=C(O[H])C([H])=C(OC([H])([H])[H])C([H])=C2O1	680
[H]OC1=C2C(=O)C(OC([H])([H])[H])=C(OC2=C([H])C(OC([H])([H])[H])=C1[H])C1=C([H])C([H])=C(OC([H])([H])[H])C(OC([H])([H])[H])=C1[H]	645
[H]C1=C([H])C(=C([H])C(OC([H])([H])[H])=C1OC([H])([H])[H])C1=C([H])C(=O)C2=C(OC([H])([H])[H])C(OC([H])([H])[H])=C(OC([H])([H])[H])C([H])=C2O1	8650
[H]C1=C(OC([H])([H])[H])C(OC([H])([H])[H])=C([H])C(=C1[H])C1=C([H])C(=O)C2=C(OC([H])([H])[H])C(OC([H])([H])[H])=C(OC([H])([H])[H])C(OC([H])([H])[H])=C2O1	4650
[H]C1=C(OC([H])([H])[H])C(OC([H])([H])[H])=C([H])C(=C1[H])C1=C(OC([H])([H])[H])C(=O)C2=C(OC([H])([H])[H])C(OC([H])([H])[H])=C(OC([H])([H])[H])C(OC([H])([H])[H])=C2O1	1500
[H]OC1=C2C(=O)C([H])=C(OC2=C([H])C(OC([H])([H])[H])=C1C([H])([H])[H])C1=C([H])C([H])=C([H])C([H])=C1[H]	2900
[H]C1=C([H])C([H])=C(C([H])=C1[H])C1=C([H])C(=O)C2=C(OC([H])([H])[H])C(=C(OC([H])([H])[H])C([H])=C2O1)C([H])([H])[H]	6950
[H]OC1=C([H])C([H])=C(C([H])=C1[H])C1=C([H])OC2=C([H])C(O[H])=C([H])C(O[H])=C2C1=O	7850
[H]OC1=C2C(O[C@@]([H])(C3=C([H])C([H])=C([H])C([H])=C3[H])C([H])([H])C2=O)=C([H])C(OC([H])([H])[H])=C1C([H])([H])[H]	8450
[H]C1=C([H])C([H])=C(C([H])=C1[H])C1=C([H])C(=O)C2=C(O1)C([H])=C([H])C(OC([H])([H])[H])=C2[H]	6700
[H]N([H])C1=NC(=NC(OC2=C(C([H])=C(C#N)C([H])=C2C([H])([H])[H])C([H])([H])[H])=C1Br)N([H])C1=C([H])C([H])=C(C#N)C([H])=C1[H]	6000
[H]OC1=C([H])C(O[H])=C2C(=O)C([H])([H])[C@]([H])(OC2=C1C([H])([H])C([H])=C(C([H])([H])[H])C([H])([H])[H])C1=C([H])C(O[H])=C(OC([H])([H])[H])C([H])=C1[H]	6600
[H]OC1=C([H])C(=C([H])C(O[H])=C1[H])[C@@]1([H])OC2=C(C(O[H])=C(C(O[H])=C2C(=O)C1([H])[H])C([H])([H])C([H])=C(C([H])([H])[H])C([H])([H])[H])C([H])([H])C([H])=C(C([H])([H])[H])C([H])([H])[H]	4100
[H]OC1=C([H])C([H])=C(C([H])=C1[H])C1=C(O[H])C(=O)C2=C(O[H])C(=C(O[H])C([H])=C2O1)C([H])([H])C(\[H])=C(/C([H])([H])[H])C([H])([H])C([H])([H])C([H])=C(C([H])([H])[H])C([H])([H])[H]	5700
[H]OC1=C([H])C([H])=C(C([H])=C1[H])[C@@]1([H])OC2=C(C(O[H])=C([H])C(O[H])=C2C(=O)C1([H])[H])C([H])([H])C([H])=C(C([H])([H])[H])C([H])([H])[H]	3100
[H]OC1=C([H])C(O[H])=C2C(=O)C([H])=C(OC2=C1[H])C1=C([H])C(O[H])=C(O[H])C([H])=C1[H]	8900
[H]OC1=C([H])C(O[H])=C2C(=O)C(OC([H])([H])[H])=C(OC2=C1[H])C1=C(C(O[H])=C([H])C(OC([H])([H])[H])=C1[H])C([H])([H])C([H])=C(C([H])([H])[H])C([H])([H])[H]	8400
[H]OC1=C([H])C(O[H])=C(O[H])C([H])=C1C1=C(C(=O)C2=C(O[H])C([H])=C3OC(C([H])=C([H])C3=C2O1)(C([H])([H])[H])C([H])([H])[H])C([H])([H])C(\[H])=C(\C([H])([H])[H])C([H])([H])O[H]	6500
[H]N(C(=O)C1=C([H])C([H])=C(C(=O)OC([H])([H])[H])C(N([H])C(=O)C2=C([H])C3=C([H])C([H])=C([H])N=C3C([H])=C2[H])=C1[H])C1=C([H])C([H])=C(C([H])=C1[H])C([H])([H])C([H])([H])N1C([H])([H])C2=C(C([H])=C(OC([H])([H])[H])C(OC([H])([H])C([H])([H])OC([H])([H])C([H])([H])OC([H])([H])C([H])([H])OC([H])([H])[H])=C2[H])C([H])([H])C1([H])[H]	449
[H]N(C(=O)C1=C([H])C([H])=C(C(=O)OC([H])([H])[H])C(N([H])C(=O)C2=NC3=C([H])C([H])=C([H])C([H])=C3C([H])=C2[H])=C1[H])C1=C([H])C([H])=C(C([H])=C1[H])C([H])([H])C([H])([H])N1C([H])([H])C2=C(C([H])=C(OC([H])([H])[H])C(OC([H])([H])C([H])([H])OC([H])([H])C([H])([H])OC([H])([H])C([H])([H])OC([H])([H])[H])=C2[H])C([H])([H])C1([H])[H]	156.5
[H]OC(=O)C1=C([H])C([H])=C(C([H])=C1N([H])C(=O)C1=NC2=C([H])C([H])=C([H])C([H])=C2C([H])=C1[H])C(=O)N([H])C1=C([H])C([H])=C(C([H])=C1[H])C([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]	5000
[H]\C(=C(\[H])C1=C([H])C([H])=C(OC([H])([H])[H])C([H])=C1[H])C(=O)C1=C(OC([H])([H])[H])C([H])=C(OC([H])([H])[H])C([H])=C1[H]	2125
[H]\C(=C(\[H])C1=C([H])C([H])=C(OC([H])([H])[H])C(OC([H])([H])[H])=C1[H])C(=O)C1=C([H])C([H])=C(OC([H])([H])[H])C([H])=C1OC([H])([H])[H]	1615
[H]\C(=C(\[H])C1=C([H])C([H])=C([H])C([H])=C1Cl)C(=O)C1=C(OC([H])([H])[H])C([H])=C(OC([H])([H])[H])C([H])=C1[H]	2880
[H]\C(=C(\[H])C1=C([H])C([H])=C(Cl)C([H])=C1[H])C(=O)C1=C(OC([H])([H])[H])C([H])=C(OC([H])([H])[H])C([H])=C1[H]	2110
[H]OC1=C([H])C(OC([H])([H])[H])=C([H])C(OC([H])([H])[H])=C1C(=O)C(\[H])=C(/[H])C1=C([H])C([H])=C(OC([H])([H])[H])C([H])=C1[H]	4415
[H]OC1=C(C(=O)C(\[H])=C(/[H])C2=C([H])C([H])=C(OC([H])([H])[H])C(OC([H])([H])[H])=C2[H])C(OC([H])([H])[H])=C([H])C(OC([H])([H])[H])=C1[H]	640
[H]OC1=C([H])C(OC([H])([H])[H])=C([H])C(OC([H])([H])[H])=C1C(=O)C(\[H])=C(/[H])C1=C([H])C([H])=C([H])C([H])=C1Cl	4045
[H]\C(=C(\[H])C1=C([H])C([H])=C(OC([H])([H])[H])C([H])=C1[H])C(=O)C1=C([H])C([H])=C(OC([H])([H])[H])C(OC([H])([H])[H])=C1[H]	1675
[H]\C(=C(\[H])C1=C([H])C([H])=C(OC([H])([H])[H])C(OC([H])([H])[H])=C1[H])C(=O)C1=C([H])C(OC([H])([H])[H])=C(OC([H])([H])[H])C([H])=C1[H]	3540
[H]\C(=C(\[H])C1=C([H])C([H])=C([H])C([H])=C1Cl)C(=O)C1=C([H])C([H])=C(OC([H])([H])[H])C(OC([H])([H])[H])=C1[H]	9420
[H]\C(=C(\[H])C1=C([H])C([H])=C(Cl)C([H])=C1[H])C(=O)C1=C([H])C([H])=C(OC([H])([H])[H])C(OC([H])([H])[H])=C1[H]	2225
[H]OC1=C2C([H])=C([H])C([H])=C([H])C2=C([H])C([H])=C1C(=O)C(\[H])=C(/[H])C1=C([H])C([H])=C(OC([H])([H])[H])C(OC([H])([H])[H])=C1[H]	2225
[H]OC1=C2C([H])=C([H])C([H])=C([H])C2=C([H])C([H])=C1C(=O)C(\[H])=C(/[H])C1=C([H])C([H])=C([H])C(OC([H])([H])[H])=C1[H]	8785
[H]OC1=C([H])C([H])=C2C([H])=C([H])C([H])=C([H])C2=C1C(=O)C(\[H])=C(/[H])C1=C([H])C([H])=C([H])C([H])=C1[H]	2675
[H]OC1=C([H])C([H])=C2C([H])=C([H])C([H])=C([H])C2=C1C(=O)C(\[H])=C(/[H])C1=C([H])C([H])=C(OC([H])([H])[H])C([H])=C1[H]	3350
[H]OC1=C([H])C([H])=C2C([H])=C([H])C([H])=C([H])C2=C1C(=O)C(\[H])=C(/[H])C1=C([H])C([H])=C(OC([H])([H])[H])C(OC([H])([H])[H])=C1[H]	1280
[H]OC1=C([H])C([H])=C2C([H])=C([H])C([H])=C([H])C2=C1C(=O)C(\[H])=C(/[H])C1=C([H])C([H])=C([H])C(OC([H])([H])[H])=C1[H]	1930
[H]OC1=C([H])C([H])=C2C([H])=C([H])C([H])=C([H])C2=C1C(=O)C(\[H])=C(/[H])C1=C([H])C([H])=C([H])C([H])=C1Cl	5395
[H]OC1=C([H])C([H])=C2C([H])=C([H])C([H])=C([H])C2=C1C(=O)C(\[H])=C(/[H])C1=C([H])C([H])=C(Cl)C(Cl)=C1[H]	8020
[H]OC1=C(C([H])=C([H])C([H])=C1[H])C(=O)C(\[H])=C(/[H])C1=C([H])C([H])=C(OC([H])([H])[H])C(OC([H])([H])[H])=C1[H]	5020
[H]OC1=C([H])C([H])=C(C(=O)C(\[H])=C(/[H])C2=C([H])C([H])=C(OC([H])([H])[H])C(OC([H])([H])[H])=C2[H])C(O[H])=C1[H]	890
[H]OC1=C([H])C([H])=C(C(=O)C(\[H])=C(/[H])C2=C([H])C([H])=C([H])C(OC([H])([H])[H])=C2[H])C(O[H])=C1[H]	2370
[H]OC1=C([H])C([H])=C(C(=O)C(\[H])=C(/[H])C2=C([H])C([H])=C([H])C([H])=C2Cl)C(O[H])=C1[H]	3245
[H]OC1=C([H])C([H])=C(C(=O)C(\[H])=C(/[H])C2=C([H])C([H])=C(Cl)C([H])=C2[H])C(O[H])=C1[H]	6220
[H]OC1=C(C([H])=C([H])C(OC([H])([H])[H])=C1[H])C(=O)C(\[H])=C(/[H])C1=C([H])C([H])=C(OC([H])([H])[H])C([H])=C1[H]	3200
[H]OC1=C(C([H])=C([H])C(OC([H])([H])[H])=C1[H])C(=O)C(\[H])=C(/[H])C1=C([H])C([H])=C(OC([H])([H])[H])C(OC([H])([H])[H])=C1[H]	1615
[H]OC1=C(C([H])=C([H])C(OC([H])([H])[H])=C1[H])C(=O)C(\[H])=C(/[H])C1=C([H])C([H])=C([H])C(OC([H])([H])[H])=C1[H]	2310
[H]OC1=C(C([H])=C([H])C(OC([H])([H])[H])=C1[H])C(=O)C(\[H])=C(/[H])C1=C([H])C([H])=C([H])C([H])=C1Cl	5085
[H]N(C1=C([H])C([H])=C([H])C([H])=C1C([H])([H])C([H])([H])C1=C([H])C([H])=C([H])C(OC([H])([H])[H])=C1[H])C([H])([H])C1=C([H])C([H])=C([H])C(OC([H])([H])[H])=C1[H]	7000
[H]OC1=C(C(=O)C(\[H])=C(/[H])C2=C(OC([H])([H])[H])C([H])=C([H])C([H])=C2OC([H])([H])[H])C(OC([H])([H])[H])=C([H])C(OC([H])([H])[H])=C1[H]	350
[H]OC1=C(C(=O)C(\[H])=C(/[H])C2=C([H])C(OC([H])([H])[H])=C([H])C(OC([H])([H])[H])=C2[H])C(OC([H])([H])[H])=C([H])C(OC([H])([H])[H])=C1[H]	170
[H]OC1=C(C(=O)C(\[H])=C(/[H])C2=C([H])C([H])=C([H])C(OC([H])([H])[H])=C2[H])C(OC([H])([H])[H])=C([H])C(OC([H])([H])[H])=C1[H]	260
[H]\C(=C(\[H])C1=C(OC([H])([H])[H])C([H])=C(OC([H])([H])[H])C([H])=C1OC([H])([H])[H])C(=O)C1=C([H])N(C2=C([H])C([H])=C([H])C([H])=C12)C([H])([H])[H]	450
[H]\C(=C(\[H])C1=C(OC([H])([H])[H])C([H])=C([H])C([H])=C1OC([H])([H])[H])C(=O)C1=C([H])N(C2=C([H])C([H])=C([H])C([H])=C12)C([H])([H])[H]	270
[H]\C(=C(\[H])C1=C(OC([H])([H])[H])C([H])=C(OC([H])([H])[H])C([H])=C1OC([H])([H])[H])C(=O)C1=C([H])N(C2=C1C([H])=C(OC([H])([H])[H])C([H])=C2[H])C([H])([H])[H]	350
[H]C1=C([H])C([H])=C(C([H])=C1[H])C1=NC2=C([H])C([H])=C([H])C([H])=C2C(=N1)N1C([H])([H])C([H])([H])N(C2=C([H])C([H])=C(C([H])=C2[H])[N+]([O-])=O)C([H])([H])C1([H])[H]	9350
[H]C1=C([H])C([H])=C(C([H])=C1[H])C1=NC2=C([H])C([H])=C([H])C([H])=C2C(=N1)N1C([H])([H])C([H])([H])N(C2=C([H])C([H])=C([H])C(=C2[H])[N+]([O-])=O)C([H])([H])C1([H])[H]	7950
[H]C1=C([H])C([H])=C(C([H])=C1[H])C1=NC2=C([H])C([H])=C([H])C([H])=C2C(=N1)N1C([H])([H])C([H])([H])N(C2=C([H])C([H])=C([H])C(OC([H])([H])[H])=C2[H])C([H])([H])C1([H])[H]	8900
[H]C1=C([H])C([H])=C(C([H])=C1[H])C1=NC2=C([H])C([H])=C([H])C([H])=C2C(=N1)N1C([H])([H])C([H])([H])N(C2=C([H])C([H])=C(F)C(Cl)=C2[H])C([H])([H])C1([H])[H]	8220
[H]C1=C([H])C([H])=C(C([H])=C1[H])C1=NC2=C([H])C([H])=C([H])C([H])=C2C(=N1)N1C([H])([H])C([H])([H])N(C2=C([H])C([H])=C([H])C(Cl)=C2[H])C([H])([H])C1([H])[H]	5910
[H]C1=C([H])C([H])=C(C([H])=C1[H])C1=NC2=C([H])C([H])=C([H])C([H])=C2C(=N1)N1C([H])([H])C([H])([H])N(C2=C([H])C([H])=C([H])C(Br)=C2[H])C([H])([H])C1([H])[H]	5120
[H]C1=C([H])C([H])=C(C([H])=C1[H])N1C([H])([H])C([H])([H])N(C2=NC(=NC3=C([H])C([H])=C([H])C([H])=C23)C2=C([H])C([H])=C([H])C([H])=C2[H])C([H])([H])C1([H])[H]	8920
[H]N(C1=NC(=NC2=C([H])C([H])=C([H])C([H])=C12)C1=C([H])C([H])=C([H])C([H])=C1[H])C1=C([H])C([H])=C(C([H])=C1[H])C(F)(F)F	1530
[H]N(C1=NC(=NC2=C([H])C([H])=C([H])C([H])=C12)C1=C([H])C([H])=C([H])C([H])=C1[H])C1=C([H])C([H])=C([H])C(=C1[H])C(F)(F)F	250
[H]N(C1=NC(=NC2=C([H])C([H])=C([H])C([H])=C12)C1=C([H])C([H])=C([H])C([H])=C1[H])C1=C([H])C([H])=C([H])C(C#N)=C1[H]	140
[H]N(C1=NC(=NC2=C([H])C([H])=C([H])C([H])=C12)C1=C([H])C([H])=C([H])C([H])=C1[H])C1=C([H])C([H])=C(F)C(=C1[H])[N+]([O-])=O	2460
[H]N(C1=NC(=NC2=C([H])C([H])=C([H])C([H])=C12)C1=C([H])C([H])=C([H])C([H])=C1[H])C1=C([H])C([H])=C(C([H])=C1[H])[N+]([O-])=O	970
[H]N(C1=NC(=NC2=C([H])C([H])=C([H])C([H])=C12)C1=C([H])C([H])=C([H])C([H])=C1[H])C1=C([H])C([H])=C([H])C(=C1[H])[N+]([O-])=O	130
[H]N(C1=NC(=NC2=C([H])C([H])=C([H])C([H])=C12)C1=C([H])C([H])=C([H])C([H])=C1[H])C1=C([H])C([H])=C([H])C([H])=C1[N+]([O-])=O	5930
[H]N(C1=NC(=NC2=C([H])C([H])=C([H])C([H])=C12)C1=C([H])C([H])=C([H])C([H])=C1[H])C1=C([H])C([H])=C(OC([H])([H])[H])C(OC([H])([H])[H])=C1[H]	190
[H]N(C1=NC(=NC2=C([H])C([H])=C([H])C([H])=C12)C1=C([H])C([H])=C([H])C([H])=C1[H])C1=C([H])C([H])=C(OC([H])([H])[H])C([H])=C1[H]	1930
[H]N(C1=NC(=NC2=C([H])C([H])=C([H])C([H])=C12)C1=C([H])C([H])=C([H])C([H])=C1[H])C1=C([H])C(OC([H])([H])[H])=C([H])C([H])=C1[H]	1320
[H]N(C1=NC(=NC2=C([H])C([H])=C([H])C([H])=C12)C1=C([H])C([H])=C([H])C([H])=C1[H])C1=C([H])C([H])=C([H])C([H])=C1OC([H])([H])[H]	2250
[H]N(C1=NC(=NC2=C([H])C([H])=C([H])C([H])=C12)C1=C([H])C([H])=C([H])C([H])=C1[H])C1=C([H])C([H])=C(F)C(Cl)=C1[H]	1660
[H]N(C1=NC(=NC2=C([H])C([H])=C([H])C([H])=C12)C1=C([H])C([H])=C([H])C([H])=C1[H])C1=C([H])C([H])=C([H])C(Cl)=C1[H]	1930
[H]N(C1=NC(=NC2=C([H])C([H])=C([H])C([H])=C12)C1=C([H])C([H])=C([H])C([H])=C1[H])C1=C([H])C([H])=C(Br)C([H])=C1[H]	6830
[H]N(C1=NC(=NC2=C([H])C([H])=C([H])C([H])=C12)C1=C([H])C([H])=C([H])C([H])=C1[H])C1=C([H])C([H])=C([H])C(Br)=C1[H]	570
[H]N(C1=NC(=NC2=C([H])C([H])=C([H])C([H])=C12)C1=C([H])C([H])=C([H])C([H])=C1[H])C1=C([H])C([H])=C([H])C([H])=C1Br	3750
[H]N(C1=NC(=NC2=C([H])C([H])=C([H])C([H])=C12)C1=C([H])C([H])=C([H])C([H])=C1[H])C1=C([H])C([H])=C([H])C([H])=C1[H]	2570
[H]OC(=O)C1=C(SC2=C1[C@]([H])(C([H])([H])[H])C([H])([H])C([H])([H])C2([H])[H])N([H])C(=S)N(C([H])([H])C([H])([H])[H])C([H])([H])C([H])([H])[H]	9100
[H]OC(=O)C1=C(SC2=C1C([H])=C([H])C([H])=C2[H])N([H])C(=S)N(C([H])([H])C([H])([H])[H])C([H])([H])C([H])([H])[H]	6160
[H]N(C(=O)C1=C([H])C(=O)C2=C(O1)C([H])=C([H])C([H])=C2OC([H])([H])C1=C([H])C([H])=C([H])C([H])=C1[H])C([H])([H])C([H])([H])C1=C([H])N([H])C2=C1C([H])=C(OC([H])([H])[H])C([H])=C2[H]	180
[H]N(C(=O)C1=C([H])C(=O)C2=C(O1)C([H])=C([H])C([H])=C2OC([H])([H])C1=C([H])C([H])=C([H])C([H])=C1[H])C([H])([H])C([H])([H])C1=C([H])C([H])=C(OC([H])([H])[H])C(OC([H])([H])[H])=C1[H]	170
[H]N(C(=O)C1=C([H])C(=O)C2=C(O1)C([H])=C([H])C([H])=C2OC([H])([H])C([H])([H])C1=C([H])C([H])=C(OC([H])([H])[H])C(OC([H])([H])[H])=C1[H])C([H])([H])C([H])([H])C1=C([H])C([H])=C(OC([H])([H])[H])C(OC([H])([H])[H])=C1[H]	470
[H]N(C(=O)C1=C([H])C(=O)C2=C(O1)C([H])=C([H])C([H])=C2OC([H])([H])C1=C([H])C([H])=C(Br)C([H])=C1[H])C([H])([H])C([H])([H])C1=C([H])N([H])C2=C1C([H])=C(OC([H])([H])[H])C([H])=C2[H]	110
[H]N(C(=O)C1=C([H])C(=O)C2=C(O1)C([H])=C([H])C([H])=C2OC([H])([H])C1=C([H])C([H])=C(C([H])=C1[H])C([H])([H])[H])C([H])([H])C([H])([H])C1=C([H])N([H])C2=C1C([H])=C(OC([H])([H])[H])C([H])=C2[H]	200
[H]N(C(=O)C1=C([H])C(=O)C2=C(O1)C([H])=C([H])C([H])=C2OC([H])([H])C([H])([H])C1=C([H])C([H])=C([H])C([H])=C1[H])C([H])([H])C([H])([H])C1=C([H])N([H])C2=C1C([H])=C(OC([H])([H])[H])C([H])=C2[H]	160
[H]OC(=O)[C@@]1(N([H])C(=O)[C@@]2([H])N(C(=O)[C@@]([H])(N([H])C(=O)O[C@]3([H])C([H])([H])[C@]4([H])C([H])([H])[C@]4([H])C3([H])[H])C(C([H])([H])[H])(C([H])([H])[H])C([H])([H])[H])C([H])([H])[C@]([H])(OC3=C([H])C(=NC4=C(Cl)C(OC([H])([H])C([H])([H])N5C([H])([H])C([H])([H])OC([H])([H])C5([H])[H])=C([H])C([H])=C34)C3=C([H])SC(=N3)N([H])C([H])(C([H])([H])[H])C([H])([H])[H])C2([H])[H])C([H])([H])[C@@]1([H])C([H])([H])C([H])([H])[H]	1400
[H]N(C(=O)C1=C(N([H])C(=O)C2=C([H])C([H])=C([H])C([H])=C2[H])C([H])=C([H])C([H])=C1[H])C1=C([H])C([H])=C(C([H])=C1[H])C([H])([H])C([H])([H])N1C([H])([H])C2=C([H])C(OC([H])([H])[H])=C(OC([H])([H])[H])C([H])=C2C([H])([H])C1([H])[H]	3981.07
[H]N(C(=O)C1=C([H])N=C2C([H])=C([H])C([H])=C([H])C2=C1[H])C1=C([H])C([H])=C(C([H])=C1[H])C([H])([H])C([H])([H])N1C([H])([H])C2=C([H])C([H])=C([H])C([H])=C2C([H])([H])C1([H])[H]	5011.87
[H]N(C(=O)C1=C([H])C([H])=C(C([H])=C1[H])[N+]([O-])=O)C1=C([H])C([H])=C(C([H])=C1[H])C([H])([H])C([H])([H])N1C([H])([H])C2=C([H])C([H])=C([H])C([H])=C2C([H])([H])C1([H])[H]	6606.93
[H]N(C(=O)C1=C(N([H])C(=O)C2=C([H])C([H])=C(C([H])=C2[H])C([H])([H])[H])C([H])=C([H])C([H])=C1[H])C1=C([H])C([H])=C(C([H])=C1[H])C([H])([H])C([H])([H])N1C([H])([H])C2=C([H])C(OC([H])([H])[H])=C(OC([H])([H])[H])C([H])=C2C([H])([H])C1([H])[H]	3890.45
[H]N(C(=O)C1=C(N([H])C(=O)C2=C([H])C3=C([H])C([H])=C([H])C([H])=C3N=C2[H])C([H])=C([H])C([H])=C1[H])C1=C([H])C([H])=C(C([H])=C1[H])C([H])([H])C([H])([H])N1C([H])([H])C2=C([H])C([H])=C([H])C([H])=C2C([H])([H])C1([H])[H]	831.76
[H]N(C(=O)C1=C(N([H])C(=O)C2=C([H])C3=C([H])C([H])=C([H])C([H])=C3N=C2[H])C([H])=C([H])C([H])=C1[H])C1=C([H])C([H])=C(C([H])=C1[H])C([H])([H])C([H])([H])N1C([H])([H])C2=C([H])C(OC([H])([H])[H])=C(OC([H])([H])[H])C([H])=C2C([H])([H])C1([H])[H]	5011.87
[H]N(C(=O)C1=NC([H])=C2C([H])=C([H])C([H])=C([H])C2=C1[H])C1=C([H])C([H])=C(C([H])=C1[H])C([H])([H])C([H])([H])N1C([H])([H])C2=C([H])C(OC([H])([H])[H])=C(OC([H])([H])[H])C([H])=C2C([H])([H])C1([H])[H]	6025.6
[H]N(C(=O)C1=C([H])N=C2C([H])=C([H])C([H])=C([H])C2=N1)C1=C([H])C([H])=C(C([H])=C1[H])C([H])([H])C([H])([H])N1C([H])([H])C2=C([H])C(OC([H])([H])[H])=C(OC([H])([H])[H])C([H])=C2C([H])([H])C1([H])[H]	6025.6
[H]OC1=C([H])C([H])=C2C(=C1[H])C([H])([H])C([H])([H])[C@@]1([H])[C@]3([H])C([H])([H])C([H])([H])C(=O)[C@@]3(C([H])([H])[H])C([H])([H])C([H])([H])[C@]21[H]	6500
[H]OC1=C([H])C([H])=C(C([H])=C1[H])C(=C(\C1=C([H])C([H])=C(O[H])C([H])=C1[H])C([H])([H])C([H])([H])[H])\C([H])([H])C([H])([H])[H]	500
CC\C(=C(\C1=CC=C(OCCN(C)C)C=C1)C1=CC=C(OCC2=CC=C(C=C2)[N+]([O-])=O)C=C1)C1=CC=CC=C1	1750
CC\C(=C(\C1=CC=C(OCCN(C)C)C=C1)C1=CC=C(OCC2=CC=CC=C2)C=C1)C1=CC=CC=C1	2000
[H]C1=C([H])C(=C([H])C([H])=C1OC(=O)C([H])([H])C([H])([H])[H])C(=C(\C1=C([H])C([H])=C(OC(=O)C([H])([H])C([H])([H])[H])C([H])=C1[H])C([H])([H])C([H])([H])[H])\C([H])([H])C([H])([H])[H]	3000
[H]N(C(=O)C#CC([H])([H])[H])C1=C([H])C2=C(N=C([H])N=C2N([H])C2=C([H])C(Br)=C([H])C([H])=C2[H])C([H])=C1[H]	200
[H]N1C([H])=N\C(=N/C2=C([H])C(Cl)=C(F)C([H])=C2[H])C2=C([H])C(OC([H])([H])C([H])([H])C([H])([H])N3C([H])([H])C([H])([H])OC([H])([H])C3([H])[H])=C(OC([H])([H])[H])C([H])=C12	400
[H]OC1=C([H])C([H])=C2N=C3C4=C([H])C5=C(C(=O)N4C([H])([H])C3=C(C2=C1[H])C([H])([H])C([H])([H])[H])C([H])([H])OC(=O)[C@]5(O[H])C([H])([H])C([H])([H])[H]	176
[H]OC1=C(C#N)C(\C([H])=C(/OC([H])([H])[H])C(=O)N([H])C(\[H])=C(/[H])C2=C([H])C([H])=C([H])C([H])=C2[H])=C([H])C([H])=C1[H]	26.9
COC1=CC2=C(CN(CC3=CC=C(OC4=NC=C(C=C4)C4=NC(=CS4)C4=CC=C(F)C=C4)C=C3)CC2)C=C1OC	1000
COC1=CC(=CC=C1)C1=CSC(=N1)C1=CN=C(OC2=CC=C(CN3CCC4=C(C3)C=C(OC)C(OC)=C4)C=C2)C=C1	500
COC1=CC2=C(CN(CC3=CC=C(OC4=NC=C(C=C4)C4=NC(=CS4)C4=CC=CC(O)=C4)C=C3)CC2)C=C1OC	18
COC(=O)C1=CC=C(C=C1NC(=O)C1=NC2=CC=CC=C2C=C1)C1=CC=C(CCN2CCC3=C(C2)C=C(OC)C(OC)=C3)C=C1	3214
COC(=O)C1=CC=C(C=C1NC(=O)C1=CC=C2N=CC=CC2=C1)C1=CC=C(CN2CCC3=C(C2)C=C(OC)C(OC)=C3)C=C1	1540
COC(=O)C1=CC=C(C=C1NC(=O)C1=NC2=CC=CC=C2C=C1)C1=CC=C(CN2CCC3=C(C2)C=CC=C3)C=C1	1461
COC(=O)C1=CC=C(C=C1NC(=O)C1=NC2=CC=CC=C2C=C1)C1=CC=C(CCN2CCC3=C(C2)C=CC=C3)C=C1	1100
COCCOCCOCCOC1=CC2=C(CN(CC3=CC=C(C=C3)C3=CC=C(C(=O)OC)C(NC(=O)C4=NC5=CC=CC=C5C=C4)=C3)CC2)C=C1OC	839
COC(=O)C1=CC=C(C=C1NC(=O)C1=NC2=CC=CC=C2C=C1)C1=CC=C(CN2CCC3=C(C2)C=C(OC)C(OC)=C3)C=C1	943
COCCOCCOCCOC1=CC2=C(CCN(CCC3=CC=C(C=C3)C3=CC=C(C(=O)OC)C(NC(=O)C4=NC5=CC=CC=C5C=C4)=C3)C2)C=C1OC	652
COC(=O)C1=CC=C(C=C1NC(=O)C1=CC2=CC=CN=C2C=C1)C1=CC=C(CN2CCC3=C(C2)C=CC=C3)C=C1	641
COCCOCCOCCOC1=CC2=C(CN(CC3=CC=C(C=C3)C3=CC=C(C(=O)OC)C(NC(=O)C4=CC5=CC=CN=C5C=C4)=C3)CC2)C=C1OC	237