smile	binding.affinity
[H]N([H])S(=O)(=O)C1=C([H])C2=C(S1)S(=O)(=O)N(C(=C2[H])C([H])([H])N1C([H])([H])C([H])([H])OC([H])([H])C1([H])[H])C([H])([H])C([H])([H])C([H])([H])OC([H])([H])[H]	23.6
[H]N([H])S(=O)(=O)C1=C([H])C2=C(S1)S(=O)(=O)N(C([H])=C2[H])C([H])([H])C([H])([H])N([H])C([H])([H])C([H])([H])C([H])([H])[H]	73.6
[H]OC1=C([H])C([H])=C([H])C(=C1[H])N1C(=C([H])C2=C(SC(=C2[H])S(=O)(=O)N([H])[H])S1(=O)=O)C([H])([H])N([H])C([H])([H])C#C[H]	6.25
[H]N([H])S(=O)(=O)C1=C([H])C2=C(S1)S(=O)(=O)N(C([H])=C2[H])C([H])([H])C([H])([H])N1C([H])([H])C([H])([H])OC([H])([H])C1([H])[H]	15.2
[H]N([H])S(=O)(=O)C1=C([H])C2=C(S1)S(=O)(=O)N(C1=C([H])C([H])=C(C([H])=C1[H])N1C([H])([H])C([H])([H])OC([H])([H])C1([H])[H])C(=C2[H])C([H])([H])N1C([H])([H])C([H])([H])OC([H])([H])C1([H])[H]	8.65
[H]N([H])S(=O)(=O)C1=C([H])C2=C(S1)S(=O)(=O)[C@@]([H])(C([H])([H])[H])C([H])([H])[C@]2([H])N([H])C([H])([H])C([H])([H])[H]	4268.75
[H]N([H])S(=O)(=O)C1=NN=C(S1)N([H])C(=O)C([H])([H])[H]	45.75
[H]N([H])S(=O)(=O)C1=NN(\C(S1)=N\C(=O)C([H])([H])[H])C([H])([H])[H]	3202.5
[H]N([H])S(=O)(=O)C1=NN=C(S1)N([H])S(=O)(=O)C1=C([H])C([H])=C(C([H])=C1[H])C([H])([H])[H]	5.6
[H]N([H])S(=O)(=O)C1=C([H])C2=C(S1)S(=O)(=O)N(C(=C2[H])C([H])([H])N1C([H])([H])C([H])([H])OC([H])([H])C1([H])[H])C([H])([H])C([H])=C([H])[H]	23.3
[H]N([H])S(=O)(=O)C1=C([H])C2=C(S1)S(=O)(=O)N(C(=C2[H])C([H])([H])N1C([H])([H])C([H])([H])OC([H])([H])C1([H])[H])C1([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C1([H])[H]	49.5
[H]N([H])S(=O)(=O)C1=C([H])C2=C(S1)S(=O)(=O)N(C(=C2[H])C([H])([H])N1C([H])([H])C([H])([H])OC([H])([H])C1([H])[H])C([H])([H])C([H])([H])OC([H])([H])[H]	39.9
[H]N([H])S(=O)(=O)C1=C([H])C2=C(S1)S(=O)(=O)N(C(=C2[H])C([H])([H])N1C([H])([H])C([H])([H])OC([H])([H])C1([H])[H])C([H])([H])C1=C([H])C([H])=C(OC([H])([H])[H])C([H])=C1[H]	5.45
[H]OC1=C([H])C(=C([H])C([H])=C1[H])N1C(=C([H])C2=C(SC(=C2[H])S(=O)(=O)N([H])[H])S1(=O)=O)C([H])([H])N1C([H])([H])C([H])([H])OC([H])([H])C1([H])[H]	4.25
[H]N([H])S(=O)(=O)C1=C([H])C2=C(S1)S(=O)(=O)N(C1=C([H])C([H])=C([H])C(OC([H])([H])[H])=C1[H])C(=C2[H])C([H])([H])N1C([H])([H])C([H])([H])OC([H])([H])C1([H])[H]	7.41
[H]N([H])S(=O)(=O)C1=C([H])C2=C(S1)S(=O)(=O)N(C([H])([H])C([H])([H])C([H])([H])OC([H])([H])[H])C([H])([H])[C@]2([H])N([H])C([H])([H])C([H])([H])[H]	1997.65
[H]N([H])S(=O)(=O)C1=C([H])C2=C(S1)S(=O)(=O)N(C1=C([H])C(OC([H])([H])[H])=C(OC([H])([H])[H])C([H])=C1[H])C(=C2[H])C([H])([H])N1C([H])([H])C([H])([H])OC([H])([H])C1([H])[H]	10.1
[H]N([H])S(=O)(=O)C1=C([H])C2=C(S1)S(=O)(=O)N(C(=C2[H])C([H])([H])N1C([H])([H])C([H])([H])OC([H])([H])C1([H])[H])C([H])([H])[H]	16.9
[H]N([H])S(=O)(=O)C1=C([H])C2=C(S1)S(=O)(=O)N(C(=C2[H])C([H])([H])N(C([H])([H])C([H])=C([H])[H])C([H])([H])C([H])([H])OC([H])([H])[H])C([H])([H])[H]	16.9
[H]N([H])S(=O)(=O)N([H])C([H])([H])[C@]12OC(O[C@@]1([H])[C@]1([H])OC(O[C@]1([H])C([H])([H])O2)(C([H])([H])[H])C([H])([H])[H])(C([H])([H])[H])C([H])([H])[H]	941
[H]N([H])S(=O)(=O)C1=NC2=C(S1)C([H])=C(OC([H])([H])C([H])([H])[H])C([H])=C2[H]	93
[H]N([H])S(=O)(=O)OC([H])([H])[C@]12OC(O[C@@]1([H])[C@]1([H])OC(O[C@]1([H])C([H])([H])O2)(C([H])([H])[H])C([H])([H])[H])(C([H])([H])[H])C([H])([H])[H]	4900
[H]N([H])S(=O)(=O)N([H])[H]	880
OB(O)C1=CC=CC=C1	880
O[As](O)(=O)C1=CC=CC=C1	870
[H]N([H])S(=O)(=O)C1=C([H])C2=C(N([H])[C@]([H])(N([H])S2(=O)=O)C([H])(Cl)Cl)C([H])=C1Cl	449
[H]N([H])N([H])C(=O)C1=C(C2=C(N1[H])C([H])=C([H])C(=C2[H])S(=O)(=O)N([H])[H])C1=C([H])C([H])=C([H])C([H])=C1[H]	9000
[H]N([H])N([H])C(=O)C1=C(C2=C(N1[H])C([H])=C([H])C(=C2[H])S(=O)(=O)N([H])[H])C1=C(C([H])=C([H])C([H])=C1[H])C([H])([H])[H]	9096
[H]N([H])N([H])C(=O)C1=C(C2=C(N1[H])C([H])=C([H])C(=C2[H])S(=O)(=O)N([H])[H])C1=C([H])C(=C([H])C([H])=C1[H])C([H])([H])[H]	7760
[H]N([H])N([H])C(=O)C1=C(C2=C(N1[H])C([H])=C([H])C(=C2[H])S(=O)(=O)N([H])[H])C1=C([H])C([H])=C(C([H])=C1[H])C([H])([H])[H]	3035
[H]N([H])N([H])C(=O)C1=C(C2=C(N1[H])C([H])=C([H])C(=C2[H])S(=O)(=O)N([H])[H])C1=C(F)C([H])=C([H])C([H])=C1[H]	9500
[H]N([H])S(=O)(=O)C1=C([H])C2=C(N([H])C([H])([H])N([H])S2(=O)=O)C([H])=C1Cl	427
[H]N([H])N([H])C(=O)C1=C(C2=C(N1[H])C([H])=C([H])C(=C2[H])S(=O)(=O)N([H])[H])C1=C([H])C(F)=C([H])C([H])=C1[H]	6260
[H]N([H])N([H])C(=O)C1=C(C2=C(N1[H])C([H])=C([H])C(=C2[H])S(=O)(=O)N([H])[H])C1=C([H])C([H])=C(F)C([H])=C1[H]	3650
[H]N([H])N([H])C(=O)C1=C(C2=C(N1[H])C([H])=C([H])C(=C2[H])S(=O)(=O)N([H])[H])C1=C(Cl)C([H])=C([H])C([H])=C1[H]	8680
[H]N([H])N([H])C(=O)C1=C(C2=C(N1[H])C([H])=C([H])C(=C2[H])S(=O)(=O)N([H])[H])C1=C([H])C(Cl)=C([H])C([H])=C1[H]	6140
[H]N([H])N([H])C(=O)C1=C(C2=C(N1[H])C([H])=C([H])C(=C2[H])S(=O)(=O)N([H])[H])C1=C([H])C([H])=C(Cl)C([H])=C1[H]	4030
[H]N([H])N([H])C(=O)C1=C(C2=C(N1[H])C([H])=C([H])C(=C2[H])S(=O)(=O)N([H])[H])C1=C([H])C(OC([H])([H])[H])=C([H])C([H])=C1[H]	5740
[H]N([H])N([H])C(=O)C1=C(C2=C(N1[H])C([H])=C([H])C(=C2[H])S(=O)(=O)N([H])[H])C1=C(F)C(F)=C(F)C(F)=C1F	5215
[H]N([H])N([H])C(=O)C1=C(C2=C(N1[H])C([H])=C([H])C(=C2[H])S(=O)(=O)N([H])[H])C1=C([H])C(Br)=C([H])C([H])=C1[H]	5525
[H]N([H])N([H])C(=O)C1=C(C2=C(N1[H])C([H])=C([H])C(=C2[H])S(=O)(=O)N([H])[H])C1=C([H])C([H])=C(Br)C([H])=C1[H]	2912
[H]OC1=C([H])C([H])=C([H])C([H])=C1[H]	9500
[H]N([H])N([H])C(=O)C1=C(C2=C(N1[H])C([H])=C([H])C(=C2[H])S(=O)(=O)N([H])[H])C1=C(Br)C([H])=C([H])C([H])=C1[H]	7325
[H]N([H])S(=O)(=O)OC1=C([H])C2=C(C([H])=C1[H])C1=C(C(=O)O2)C([H])([H])C([H])([H])C([H])([H])C([H])([H])C1([H])[H]	24
[H]N([H])S(=O)(=O)OC1=C([H])C([H])=C2C([H])=C(C([H])([H])C3([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C3([H])[H])S(=O)(=O)C2=C1[H]	842
[H]N([H])S(=O)(=O)C1=C(C([H])=C2N([H])C([H])([H])N([H])S(=O)(=O)C2=C1[H])C(F)(F)F	4780
[H]N([H])S(=O)(=O)C1=C(Cl)C([H])=C2N([H])[C@]([H])(N(C(=O)C2=C1[H])C1=C([H])C([H])=C([H])C([H])=C1C([H])([H])[H])C([H])([H])[H]	216
[H]O[C@@]1(N([H])C(=O)C2=C([H])C([H])=C([H])C([H])=C12)C1=C([H])C(=C(Cl)C([H])=C1[H])S(=O)(=O)N([H])[H]	196
[H]N([H])S(=O)(=O)C1=C(Cl)C([H])=C([H])C(=C1[H])C(=O)N([H])N1C2=C([H])C([H])=C([H])C([H])=C2C([H])([H])[C@@]1([H])C([H])([H])[H]	213
[H]OC(=O)C1=C([H])C(=C(Cl)C([H])=C1N([H])C([H])([H])C1=C([H])C([H])=C([H])O1)S(=O)(=O)N([H])[H]	564
[H]OC(=O)C1=C([H])C(=C(OC2=C([H])C([H])=C([H])C([H])=C2[H])C(N([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])=C1[H])S(=O)(=O)N([H])[H]	303
[H]N([H])S(=O)(=O)OC([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])[H]	82
[H]OC([H])([H])C1=C([H])C([H])=C(C([H])=C1[H])S(=O)(=O)N([H])[H]	560
[H]OC(=O)C([H])([H])N(C([H])([H])C(=O)N([H])C1=C([H])C([H])=C2N=C(SC2=C1[H])S(=O)(=O)N([H])[H])C([H])([H])C([H])([H])N(C([H])([H])C(=O)O[H])C([H])([H])C([H])([H])N(C([H])([H])C(=O)O[H])C([H])([H])C(=O)N([H])C1=C([H])C([H])=C2N=C(SC2=C1[H])S(=O)(=O)N([H])[H]	7.5
[H]N([H])C1=C(C([H])=C([H])C([H])=C1[H])S(=O)(=O)N([H])[H]	1310
[H]OC(=O)C([H])([H])N(C([H])([H])C(=O)N([H])C1=C(F)C([H])=C(C([H])=C1[H])S(=O)(=O)N([H])[H])C([H])([H])C([H])([H])N(C([H])([H])C(=O)O[H])C([H])([H])C([H])([H])N(C([H])([H])C(=O)O[H])C([H])([H])C(=O)N([H])C1=C(F)C([H])=C(C([H])=C1[H])S(=O)(=O)N([H])[H]	23.5
[H]OC(=O)C([H])([H])N(C([H])([H])C(=O)O[H])C([H])([H])C([H])([H])N(C([H])([H])C(=O)O[H])C([H])([H])C([H])([H])N(C([H])([H])C(=O)O[H])C([H])([H])C(=O)N([H])C1=C(C([H])=C(C(Cl)=C1[H])S(=O)(=O)N([H])[H])S(=O)(=O)N([H])[H]	46.5
[H]N([H])C1=C(Cl)C([H])=C(C([H])=C1[H])S(=O)(=O)N([H])[H]	385
[H]N([H])C1=C([H])C([H])=C([H])C(=C1[H])S(=O)(=O)N([H])[H]	4975
[H]OC(=O)C([H])([H])N(C([H])([H])C(=O)N([H])C([H])([H])C([H])([H])C1=C([H])C([H])=C(C([H])=C1[H])S(=O)(=O)N([H])[H])C([H])([H])C([H])([H])N(C([H])([H])C(=O)O[H])C([H])([H])C([H])([H])N(C([H])([H])C(=O)O[H])C([H])([H])C(=O)N([H])C([H])([H])C([H])([H])C1=C([H])C([H])=C(C([H])=C1[H])S(=O)(=O)N([H])[H]	25
[H]N([H])C1=C(Br)C([H])=C(C([H])=C1[H])S(=O)(=O)N([H])[H]	81
[H]OC([H])([H])C([H])([H])OC1=C([H])C([H])=C2N=C(SC2=C1[H])S(=O)(=O)N([H])[H]	15
[H]OC(=O)C([H])([H])N(C([H])([H])C(=O)O[H])C([H])([H])C([H])([H])N(C([H])([H])C(=O)O[H])C([H])([H])C([H])([H])N(C([H])([H])C(=O)O[H])C([H])([H])C(=O)N([H])C1=C(I)C([H])=C(C([H])=C1[H])S(=O)(=O)N([H])[H]	26.5
[H]OC(=O)C([H])([H])N(C([H])([H])C(=O)\N=C1\SC(=NN1C([H])([H])[H])S(=O)(=O)N([H])[H])C([H])([H])C([H])([H])N(C([H])([H])C(=O)O[H])C([H])([H])C([H])([H])N(C([H])([H])C(=O)O[H])C([H])([H])C(=O)\N=C1/SC(=NN1C([H])([H])[H])S(=O)(=O)N([H])[H]	14
[H]N([H])C1=C([H])C([H])=C2N=C(SC2=C1[H])S(=O)(=O)N([H])[H]	19
[H]OC(=O)C([H])([H])N(C([H])([H])C(=O)N([H])C([H])([H])C([H])([H])C(=O)N([H])C1=NN=C(S1)S(=O)(=O)N([H])[H])C([H])([H])C([H])([H])N(C([H])([H])C(=O)O[H])C([H])([H])C([H])([H])N(C([H])([H])C(=O)O[H])C([H])([H])C(=O)N([H])C([H])([H])C([H])([H])C(=O)N([H])C1=NN=C(S1)S(=O)(=O)N([H])[H]	12
[H]OC(=O)C([H])([H])N(C([H])([H])C(=O)N([H])C1=C([H])C([H])=C([H])C(=C1[H])S(=O)(=O)N([H])[H])C([H])([H])C([H])([H])N(C([H])([H])C(=O)O[H])C([H])([H])C([H])([H])N(C([H])([H])C(=O)O[H])C([H])([H])C(=O)N([H])C1=C([H])C([H])=C([H])C(=C1[H])S(=O)(=O)N([H])[H]	462.5
[H]OC(=O)C([H])([H])N(C([H])([H])C(=O)O[H])C([H])([H])C([H])([H])N(C([H])([H])C(=O)O[H])C([H])([H])C([H])([H])N(C([H])([H])C(=O)O[H])C([H])([H])C(=O)N([H])C1=C(Cl)C([H])=C(C([H])=C1[H])S(=O)(=O)N([H])[H]	29.5
[H]OC1=C([H])C2=C(N=C(S2)S(=O)(=O)N([H])[H])C([H])=C1[H]	17
[H]N([H])C1=C([H])C([H])=C(C([H])=C1[H])S(=O)(=O)N([H])[H]	9760
[H]OC(=O)C([H])([H])N(C([H])([H])C(=O)OC([H])([H])C([H])([H])OC1=C([H])C2=C(N=C(S2)S(=O)(=O)N([H])[H])C([H])=C1[H])C([H])([H])C([H])([H])N(C([H])([H])C(=O)O[H])C([H])([H])C([H])([H])N(C([H])([H])C(=O)O[H])C([H])([H])C(=O)OC([H])([H])C([H])([H])OC1=C([H])C2=C(N=C(S2)S(=O)(=O)N([H])[H])C([H])=C1[H]	4.5
[H]OC(=O)C([H])([H])N(C([H])([H])C(=O)OC1=C([H])C([H])=C2N=C(SC2=C1[H])S(=O)(=O)N([H])[H])C([H])([H])C([H])([H])N(C([H])([H])C(=O)O[H])C([H])([H])C([H])([H])N(C([H])([H])C(=O)O[H])C([H])([H])C(=O)OC1=C([H])C([H])=C2N=C(SC2=C1[H])S(=O)(=O)N([H])[H]	5.5
[H]OC(=O)C([H])([H])N(C([H])([H])C(=O)N([H])C1=NN=C(S1)S(=O)(=O)N([H])[H])C([H])([H])C([H])([H])N(C([H])([H])C(=O)O[H])C([H])([H])C([H])([H])N(C([H])([H])C(=O)O[H])C([H])([H])C(=O)N([H])C1=NN=C(S1)S(=O)(=O)N([H])[H]	17.5
[H]OC(=O)C([H])([H])N(C([H])([H])C(=O)O[H])C([H])([H])C([H])([H])N(C([H])([H])C(=O)O[H])C([H])([H])C([H])([H])N(C([H])([H])C(=O)O[H])C([H])([H])C(=O)N([H])C([H])([H])C1=C([H])C([H])=C(C([H])=C1[H])S(=O)(=O)N([H])[H]	38.5
[H]OC(=O)C([H])([H])N(C([H])([H])C(=O)O[H])C([H])([H])C([H])([H])N(C([H])([H])C(=O)O[H])C([H])([H])C([H])([H])N(C([H])([H])C(=O)O[H])C([H])([H])C(=O)N([H])C1=C(C([H])=C([H])C([H])=C1[H])S(=O)(=O)N([H])[H]	440
[H]OC(=O)C([H])([H])N(C([H])([H])C(=O)N([H])C1=C([H])C([H])=C(C([H])=C1[H])S(=O)(=O)N([H])[H])C([H])([H])C([H])([H])N(C([H])([H])C(=O)O[H])C([H])([H])C([H])([H])N(C([H])([H])C(=O)O[H])C([H])([H])C(=O)N([H])C1=C([H])C([H])=C(C([H])=C1[H])S(=O)(=O)N([H])[H]	168
[H]OC(=O)C([H])([H])N(C([H])([H])C(=O)O[H])C([H])([H])C([H])([H])N(C([H])([H])C(=O)O[H])C([H])([H])C([H])([H])N(C([H])([H])C(=O)O[H])C([H])([H])C(=O)N([H])C1=C(Cl)C(Cl)=C(C([H])=C1S(=O)(=O)N([H])[H])S(=O)(=O)N([H])[H]	30.5
[H]OC(=O)C([H])([H])N(C([H])([H])C(=O)O[H])C([H])([H])C([H])([H])N(C([H])([H])C(=O)O[H])C([H])([H])C([H])([H])N(C([H])([H])C(=O)O[H])C([H])([H])C(=O)OC([H])([H])C1=C([H])C([H])=C(C([H])=C1[H])S(=O)(=O)N([H])[H]	217.5
[H]OC([H])([H])C([H])([H])C1=C([H])C([H])=C(C([H])=C1[H])S(=O)(=O)N([H])[H]	450
[H]N([H])N([H])C1=C([H])C([H])=C(C([H])=C1[H])S(=O)(=O)N([H])[H]	5450
[H]N([H])C1=C(I)C([H])=C(C([H])=C1[H])S(=O)(=O)N([H])[H]	522.5
[H]N([H])C1=NN=C(S1)S(=O)(=O)N([H])[H]	940
[H]OC(=O)C([H])([H])N(C([H])([H])C(=O)OC([H])([H])C([H])([H])C1=C([H])C([H])=C(C([H])=C1[H])S(=O)(=O)N([H])[H])C([H])([H])C([H])([H])N(C([H])([H])C(=O)O[H])C([H])([H])C([H])([H])N(C([H])([H])C(=O)O[H])C([H])([H])C(=O)OC([H])([H])C([H])([H])C1=C([H])C([H])=C(C([H])=C1[H])S(=O)(=O)N([H])[H]	152.5
[H]N([H])C([H])([H])C1=C([H])C([H])=C(C([H])=C1[H])S(=O)(=O)N([H])[H]	5700
[H]N=C1SC(=NN1C([H])([H])[H])S(=O)(=O)N([H])[H]	355
[H]N([H])C1=C(F)C([H])=C(C([H])=C1[H])S(=O)(=O)N([H])[H]	545
[H]N([H])C([H])([H])C([H])([H])C1=C([H])C([H])=C(C([H])=C1[H])S(=O)(=O)N([H])[H]	3035
[H]OC(=O)C([H])([H])N(C([H])([H])C(=O)N([H])N([H])C1=C([H])C([H])=C(C([H])=C1[H])S(=O)(=O)N([H])[H])C([H])([H])C([H])([H])N(C([H])([H])C(=O)O[H])C([H])([H])C([H])([H])N(C([H])([H])C(=O)O[H])C([H])([H])C(=O)N([H])N([H])C1=C([H])C([H])=C(C([H])=C1[H])S(=O)(=O)N([H])[H]	530
[H]N([H])C1=C(Cl)C(Cl)=C(C([H])=C1S(=O)(=O)N([H])[H])S(=O)(=O)N([H])[H]	175
[H]N([H])C1=C(C([H])=C(C(Cl)=C1[H])S(=O)(=O)N([H])[H])S(=O)(=O)N([H])[H]	270
[H]OC(=O)C([H])([H])N(C([H])([H])C(=O)O[H])C([H])([H])C([H])([H])N(C([H])([H])C(=O)O[H])C([H])([H])C([H])([H])N(C([H])([H])C(=O)O[H])C([H])([H])C(=O)N([H])C1=C(Br)C([H])=C(C([H])=C1[H])S(=O)(=O)N([H])[H]	24
[H]N([H])C([H])([H])C([H])([H])C(=O)N([H])C1=NN=C(S1)S(=O)(=O)N([H])[H]	125
[H]OS(=O)(O[H])=N[H]	930
[H]N([H])C1=C([H])C([H])=C(C([H])=C1[H])S(=O)(=O)N([H])C([H])([H])C1=C([H])C([H])=C(C([H])=C1[H])S(=O)(=O)N([H])[H]	84
[H]N([H])S(=O)(=O)C1=C([H])C([H])=C(C([H])=C1[H])C1=C(ON=C1C1=C([H])C([H])=C([H])C([H])=C1[H])C([H])([H])[H]	1340
[H]N([H])S(=O)(=O)C1=C([H])C([H])=C(C([H])=C1[H])N1N=C(C([H])=C1C1=C([H])C([H])=C(C([H])=C1[H])C([H])([H])[H])C(F)(F)F	880
[H]N([H])C1=C(C([H])=C(C(=C1[H])C(F)(F)F)S(=O)(=O)N([H])[H])S(=O)(=O)N([H])[H]	4830
[H]OP([O-])([O-])=O	9800
[H]N([H])C(=O)OP([O-])([O-])=O	9900
[O-]P([O-])([O-])=O	84
[O-]C(=O)C([O-])=O	99
[H]C([H])(C([O-])=O)C([O-])=O	2800
[H]OC(C([O-])=O)(C([H])([H])C([O-])=O)C([H])([H])C([O-])=O	99
N#C[Cu-]#N	9800
[H]OP(=O)(O[H])C1=C([H])C([H])=C([H])C([H])=C1[H]	5400
[H]OP(=O)(O[H])OC(=O)N([H])[H]	9900
[H]ON([H])C(=O)N([H])C1=C([H])C([H])=C(Cl)C(Cl)=C1[H]	890
[H]N([H])S(=O)(=O)C1=C([H])C([H])=C(N([H])C(=S)N([H])C([H])([H])[C@]23OC(O[C@@]2([H])[C@]2([H])OC(O[C@]2([H])C([H])([H])O3)(C([H])([H])[H])C([H])([H])[H])(C([H])([H])[H])C([H])([H])[H])C([H])=C1[H]	10
[H]N([H])S(=O)(=O)C1=C([H])C([H])=C(C([H])=C1[H])C([H])([H])C([H])([H])N([H])C(=S)N([H])C([H])([H])[C@]12OC(O[C@@]1([H])[C@]1([H])OC(O[C@]1([H])C([H])([H])O2)(C([H])([H])[H])C([H])([H])[H])(C([H])([H])[H])C([H])([H])[H]	850
[H]N([H])S(=O)(=O)C1=C([H])C([H])=C(C([H])=C1[H])C([H])([H])N([H])S(=O)(=O)C1=C([H])C(F)=C(N([H])C(=S)N([H])C([H])([H])[C@]23OC(O[C@@]2([H])[C@]2([H])OC(O[C@]2([H])C([H])([H])O3)(C([H])([H])[H])C([H])([H])[H])(C([H])([H])[H])C([H])([H])[H])C([H])=C1[H]	670
[H]N([H])S(=O)(=O)C1=C([H])C(Cl)=C(N([H])C(=S)N([H])C([H])([H])[C@]23OC(O[C@@]2([H])[C@]2([H])OC(O[C@]2([H])C([H])([H])O3)(C([H])([H])[H])C([H])([H])[H])(C([H])([H])[H])C([H])([H])[H])C([H])=C1[H]	1040
[H]N([H])S(=O)(=O)N([H])C1=NN=C(S1)C1=C([H])C([H])=C(OC([H])([H])[H])C([H])=C1[H]	8760
[H]N([H])S(=O)(=O)N([H])C1=NN=C(S1)S(=O)(=O)C([H])([H])[H]	6100
[H]SC(=S)S[H]	9900
[H]C([H])([H])C([H])([H])N(C([S-])=S)C([H])([H])C([H])([H])[H]	6500
[H]N([H])S(=O)(=O)C([H])([H])C1=NOC2=C([H])C([H])=C([H])C([H])=C12	8590
[H]N([H])S(=O)(=O)N([H])C1=NN=C([H])S1	8910
[H]N([H])S(=O)(=O)N([H])C1=NN=C(S1)C([H])([H])C([H])([H])[H]	8640
[H]N([H])S(=O)(=O)N([H])C1=NN=C(S1)C(C([H])([H])[H])(C([H])([H])[H])C([H])([H])[H]	8400
[H]N([H])S(=O)(=O)N([H])C1=NN=C(S1)C(F)(F)F	4320
[H]N([H])S(=O)(=O)N([H])C1=NN=C(SC([H])([H])[H])S1	8300
[H]N([H])S(=O)(=O)N([H])C1=NN=C(SC([H])([H])C([H])([H])[H])S1	7580
[H]N([H])S(=O)(=O)N([H])C1=NN=C(S1)C1=C([H])C([H])=C([H])C([H])=C1[H]	5540
[H]N([H])S(=O)(=O)C1=C([H])C([H])=C2N([H])C(=NC2=C1[H])C1=C([H])SC([H])=N1	48.9
[H]OC(=O)C1=C([H])C2=C([H])C(=C([H])C([H])=C2OC1=O)C([H])([H])[H]	8500
[H]OC(=O)C1=C([H])C2=C([H])C([H])=C([H])C([H])=C2OC1=O	9700
[H]N([H])S(=O)(=O)C1=C([H])C2=C(S1)S(=O)(=O)[C@@]([H])(C([H])([H])[H])C([H])([H])[C@]2([H])N(C(=O)C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])O[N+]([O-])=O)C([H])([H])C([H])([H])[H]	4360
[H]OC([H])([H])C1=C([H])C([H])=C2OC(=O)C([H])=C([H])C2=C1[H]	7700
[H]C1=C(OC([H])([H])[H])C([H])=C2OC(=O)C(=C([H])C2=C1[H])C(=O)OC([H])([H])C([H])([H])[H]	7200
[H]OC([H])([H])C1=C([H])C([H])=C2OC(=O)C(=C([H])C2=C1[H])C(=O)OC([H])([H])C([H])([H])[H]	9100
[H]N([H])S(=O)(=O)C1=C([H])C([H])=C(C([H])=C1[H])N1N=C([H])C2=C1C1=C([H])C([H])=C(N=C1SC2([H])[H])C([H])([H])[H]	7500
[H]N([H])S(=O)(=O)C1=C([H])C([H])=C(C([H])=C1[H])N1N=C([H])C2=C1C1=C([H])C([H])=C([H])N=C1SC2([H])[H]	328
[H]N(C(=O)[C@]([H])(N([H])C(=O)C([H])([H])[H])C([H])([H])OC([H])([H])[H])C([H])([H])C1=C([H])C([H])=C([H])C([H])=C1[H]	525
[H]N([H])S(=O)(=O)C1=C([H])C2=C(S1)S(=O)(=O)[C@@]([H])(C([H])([H])[H])C([H])([H])[C@]2([H])N(C(=O)C1=C([H])C([H])=C(C([H])=C1[H])C([H])([H])O[N+]([O-])=O)C([H])([H])C([H])([H])[H]	46
[H]N([H])S(=O)(=O)C1=C([H])C2=C(S1)S(=O)(=O)[C@@]([H])(C([H])([H])[H])C([H])([H])[C@]2([H])N(C(=O)OC([H])([H])C([H])([H])C([H])([H])O[N+]([O-])=O)C([H])([H])C([H])([H])[H]	181
[H]N([H])S(=O)(=O)C1=C([H])C2=C(S1)S(=O)(=O)[C@@]([H])(C([H])([H])[H])C([H])([H])[C@]2([H])N(C(=O)OC([H])([H])C([H])([H])C([H])([H])C([H])([H])O[N+]([O-])=O)C([H])([H])C([H])([H])[H]	339
[H]N([H])S(=O)(=O)C1=C([H])C2=C(S1)S(=O)(=O)[C@@]([H])(C([H])([H])[H])C([H])([H])[C@]2([H])N(C(=O)OC([H])([H])[C@]([H])(O[N+]([O-])=O)C([H])([H])O[N+]([O-])=O)C([H])([H])C([H])([H])[H]	3905
[H]N([H])S(=O)(=O)C1=C([H])C(C(=O)N([H])C([H])([H])C([H])([H])OC([H])([H])[H])=C(SC2=C([H])C([H])=C([H])C([H])=C2[H])N=C1[H]	361
[H]N([H])S(=O)(=O)C1=C([H])C(C(=O)N([H])C([H])([H])C([H])([H])C([H])([H])OC([H])([H])[H])=C(SC2=C([H])C([H])=C([H])C([H])=C2[H])N=C1[H]	246
[H]N([H])S(=O)(=O)C1=C([H])C(C(=O)N([H])C([H])([H])C([H])([H])C([H])([H])[H])=C(SC2=C([H])C([H])=C([H])C([H])=C2[H])N=C1[H]	229
[H]N([H])S(=O)(=O)C1=C([H])C(C(=O)N([H])C([H])([H])C([H])([H])C2=C([H])C([H])=C([H])C([H])=C2[H])=C(SC2=C([H])C([H])=C([H])C([H])=C2[H])N=C1[H]	64
[H]N([H])S(=O)(=O)C1=C([H])C(C(=O)N([H])C([H])([H])C2=C([H])C([H])=C([H])C([H])=N2)=C(SC2=C(F)C(F)=C([H])C(F)=C2F)N=C1[H]	23
[H]N([H])S(=O)(=O)C1=C([H])C(C(=O)N([H])C([H])([H])C2=C([H])C([H])=C([H])C([H])=C2[H])=C(OC2=C([H])C([H])=C([H])C([H])=C2[H])C([H])=C1[H]	2040
[H]N([H])S(=O)(=O)C1=C([H])C(C(=O)N([H])C([H])([H])C2=C([H])C([H])=C([H])C([H])=C2[H])=C(SC([H])([H])C2=C([H])C([H])=C([H])C([H])=C2[H])C([H])=C1[H]	1480
[H]OC([H])([H])C1=C(SC2=C(C([H])=C(C([H])=C2[H])S(=O)(=O)N([H])[H])C(=O)N([H])C([H])([H])C2=C([H])C([H])=C([H])C([H])=N2)C([H])=C([H])C([H])=C1[H]	952
[H]N([H])S(=O)(=O)C1=C([H])C(C(=O)N([H])C([H])([H])C2=C([H])C([H])=C([H])C([H])=N2)=C(SC2=NC([H])=C([H])C([H])=C2[H])C([H])=C1[H]	5000
[H]N([H])S(=O)(=O)C1=C([H])C(C(=O)N([H])C([H])([H])C2=C([H])C([H])=C([H])C([H])=N2)=C(SC2=C([H])C([H])=C([H])C([H])=C2[H])C([H])=C1[H]	783
[H]N([H])S(=O)(=O)C1=C([H])C(C(=O)N([H])C([H])([H])C([H])([H])OC([H])([H])[H])=C(SC([H])([H])C([H])([H])C2=C([H])C([H])=C([H])C([H])=C2[H])C([H])=C1[H]	1910
[H]N([H])S(=O)(=O)C1=C([H])C(C(=O)N([H])C([H])([H])C([H])(C([H])([H])[H])C([H])([H])[H])=C(SC([H])(C([H])([H])[H])C([H])([H])[H])C([H])=C1[H]	5000
[H]N([H])S(=O)(=O)C1=C([H])C(C(=O)N([H])C([H])([H])C([H])([H])[H])=C(SC2([H])C([H])([H])C([H])([H])C([H])([H])C2([H])[H])C([H])=C1[H]	5000
[H]N([H])S(=O)(=O)C1=C([H])C(C(=O)N([H])C([H])([H])C2=C([H])C([H])=C([H])C([H])=C2[H])=C(C([H])=C1[H])S(=O)(=O)C1=C([H])C([H])=C([H])C([H])=C1[H]	1450
[H]N([H])S(=O)(=O)C1=C([H])C(C(=O)N([H])C([H])([H])C([H])([H])[H])=C(SC2=C([H])C([H])=C([H])C([H])=C2[H])N=C1[H]	283
[H]N([H])S(=O)(=O)C1=C([H])C(C(=O)N([H])C([H])([H])C([H])([H])N(C([H])([H])[H])C([H])([H])[H])=C(SC2=C([H])C([H])=C([H])C([H])=C2[H])N=C1[H]	5000
[H]N([H])S(=O)(=O)C1=C([H])C(C(=O)N([H])C([H])([H])C2=C([H])C([H])=C([H])C([H])=C2[H])=C(SC2=C([H])C([H])=C([H])C([H])=C2[H])C([H])=C1[H]	241
[H]N([H])S(=O)(=O)C1=C([H])C(C(=O)N([H])C([H])([H])C([H])([H])[H])=C(SC2=C([H])C([H])=C([H])C([H])=C2[H])C([H])=C1[H]	575
[H]N([H])S(=O)(=O)C1=C([H])C(C(=O)N([H])C([H])([H])C([H])([H])[H])=C(SC2=C([H])C(F)=C([H])C([H])=C2[H])N=C1[H]	126
[H]N([H])S(=O)(=O)C1=C([H])C(C(=O)N([H])C([H])([H])C2=C([H])C([H])=C(OC([H])([H])[H])C([H])=C2[H])=C(SC2=C([H])C(F)=C(F)C([H])=C2[H])N=C1[H]	46.8
[H]N([H])S(=O)(=O)C1=C([H])C(C(=O)N([H])C([H])([H])C([H])([H])C([H])([H])OC([H])([H])[H])=C(SC2=C([H])C(F)=C([H])C([H])=C2[H])N=C1[H]	118
[H]N([H])S(=O)(=O)C1=C([H])C(C(=O)N([H])C([H])([H])C([H])([H])C([H])([H])OC([H])([H])[H])=C(SC2=C(F)C(F)=C([H])C(F)=C2F)N=C1[H]	23
[H]N([H])S(=O)(=O)C1=C([H])C(C(=O)N([H])C([H])([H])C([H])([H])C([H])([H])OC([H])([H])[H])=C(SC2=C([H])C([H])=C(F)C(F)=C2[H])N=C1[H]	139
[H]N([H])S(=O)(=O)C1=C([H])C(C(=O)N([H])C([H])([H])C([H])([H])C2=C([H])C([H])=C([H])C([H])=N2)=C(SC2=C(F)C(F)=C([H])C(F)=C2F)C([H])=C1[H]	20.9
[H]N([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])N([H])C(=O)C1=C(SC2=C(F)C(F)=C([H])C(F)=C2F)N=C([H])C(=C1[H])S(=O)(=O)N([H])[H]	33.1
[H]N([H])S(=O)(=O)C1=C([H])C(C(=O)N([H])C([H])([H])C([H])([H])C([H])([H])C2=C([H])C([H])=C(OC([H])([H])[H])C([H])=C2[H])=C(SC2=C(F)C(F)=C([H])C(F)=C2F)N=C1[H]	23
[H]OC([H])([H])C1=C(SC2=C([H])C(F)=C(F)C([H])=C2[H])N=C([H])C(=C1[H])S(=O)(=O)N([H])[H]	1230
[H]N([H])S(=O)(=O)C1=C([H])C(=C(SC2=C([H])C(F)=C(F)C([H])=C2[H])N=C1[H])C([H])([H])N([H])C([H])([H])C1=C([H])C([H])=C(OC([H])([H])[H])C([H])=C1[H]	402
[H]N([H])S(=O)(=O)C1=C([H])C(=C(SC2=C([H])C(F)=C(F)C([H])=C2[H])N=C1[H])C([H])([H])N([H])C([H])([H])C([H])([H])[H]	2660
[H]N([H])S(=O)(=O)C1=C([H])C(=C(SC2=C([H])C(F)=C(F)C([H])=C2[H])N=C1[H])C([H])([H])N([H])C([H])([H])C([H])([H])C([H])([H])OC([H])([H])[H]	2190
[H]N([H])S(=O)(=O)C1=C([H])C(C(=O)N([H])C([H])([H])C([H])([H])[H])=C(SC([H])(C([H])([H])[H])C([H])([H])[H])C(F)=C1[H]	1890
[H]N([H])S(=O)(=O)C1=C([H])C(C(=O)N([H])C([H])([H])C([H])([H])[H])=C(SC([H])([H])C([H])(C([H])([H])[H])C([H])([H])[H])C(F)=C1[H]	1250
[H]N([H])S(=O)(=O)C1=C([H])C([H])=C(SC2=C(F)C(F)=C([H])C(F)=C2F)N=C1[H]	188
CC1(C)OB(OC1(C)C)C1=CC=C(NS(N)(=O)=O)C=C1	8620
[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]	4553
[H]N(C(=O)C1=C([H])C(N([H])C2=NC([H])=C([H])C(=N2)C2=C([H])C([H])=C([H])N=C2[H])=C(C([H])=C1[H])C([H])([H])[H])C1=C([H])C(=C([H])C(=C1[H])N1C([H])=NC(=C1[H])C([H])([H])[H])C(F)(F)F	446
[H]OC(=O)C(\[H])=C(\[H])C1=C([H])C(=C(OC([H])([H])[H])C([H])=C1O[H])[C@@]([H])(O[H])C([H])([H])C([H])(C([H])([H])[H])C([H])([H])[H]	380
[H]OC(=O)C(\[H])=C(/[H])C1=C([H])C([H])=C(O[H])C([H])=C1[H]	9600
[H]OC(=O)C1=C([H])C(O[H])=C(O[H])C(O[H])=C1[H]	9800
[H]OC1=C([H])C2=C3C(OC(=O)C4=C3C(OC2=O)=C(O[H])C(O[H])=C4[H])=C1O[H]	9080
[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]	7890
[H]C([H])([H])N(C([H])([H])[H])C([H])([H])C([H])([H])N(C([H])([H])[H])C([H])([H])C([H])([H])N(C([H])([H])[H])C([H])([H])C([H])([H])N(C([H])([H])[H])C([H])([H])[H]	53
[H]N([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])N([H])[H]	450
[H]N([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])N([H])[H]	52
[H]N([H])C([H])([H])C([H])([H])N([H])C1=C([H])C([H])=C([H])C2=C([H])C([H])=C([H])C([H])=C12	58
[H]N([H])C([H])([H])C([H])([H])C([H])([H])N([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])N([H])C([H])([H])C([H])([H])C([H])([H])N([H])C(=O)C([H])([H])C1=C2C([H])=C([H])C([H])=C([H])C2=C([H])C([H])=C1[H]	18
[H]N(C(=O)C(F)(F)F)C([H])([H])C([H])([H])C([H])([H])N([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])N([H])C([H])([H])C([H])([H])C([H])([H])N([H])C(=O)C(F)(F)F	116
[H]N([H])C([H])([H])C([H])([H])C([H])([H])N([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])N([H])[H]	61
[H]C1=C([H])C([H])=C(C([H])=C1[H])C([H])([H])OC1=C([H])C([H])=C2C([H])=C([H])C(=O)OC2=C1[H]	5800
[H]C1=C([H])C2=C([H])C([H])=C(OC([H])([H])[H])C([H])=C2OC1=O	8300
[H]N([H])S(=O)(=O)C1=C([H])C([H])=C(C([H])=C1[H])N1C([H])([H])C([H])([H])C([H])([H])C([H])([H])S1(=O)=O	95
[H]N([H])S(=O)(=O)OC([H])([H])[C@]12OC(O[C@@]1([H])[C@]1([H])OC(O[C@]1([H])C([H])([H])C2([H])[H])(C([H])([H])[H])C([H])([H])[H])(C([H])([H])[H])C([H])([H])[H]	4900
[H]N([H])S(=O)(=O)C1=NN=C(S1)N([H])C(=O)[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]	202.5
[H]N([H])S(=O)(=O)C1=NN=C(S1)N([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]	30
[H]N([H])S(=O)(=O)C1=C([H])C([H])=C(C([H])=C1[H])C(=O)OC([H])([H])C([H])([H])C([H])([H])C([H])([H])O[N+]([O-])=O	44
[H]N([H])S(=O)(=O)C1=C([H])C([H])=C(C([H])=C1[H])C(=O)OC([H])([H])C1=C([H])C([H])=C(C([H])=C1[H])C([H])([H])O[N+]([O-])=O	345
[H]N([H])S(=O)(=O)C1=C([H])C([H])=C(C([H])=C1[H])C(=O)OC1=C(OC([H])([H])[H])C([H])=C(\C([H])=C(/[H])C(=O)OC([H])([H])C([H])([H])C([H])([H])C([H])([H])O[N+]([O-])=O)C([H])=C1[H]	47
[H]N([H])S(=O)(=O)C1=NN=C(S1)N([H])S(=O)(=O)C1=C([H])C([H])=C([H])C(=C1[H])C(=O)OC([H])([H])C([H])([H])C([H])([H])C([H])([H])O[N+]([O-])=O	154
[H]N([H])S(=O)(=O)C1=NN=C(S1)N([H])S(=O)(=O)C1=C([H])C(=C([H])C([H])=C1[H])C(=O)OC1=C([H])C([H])=C(\C([H])=C(/[H])C(=O)OC([H])([H])C([H])([H])C([H])([H])C([H])([H])O[N+]([O-])=O)C([H])=C1OC([H])([H])[H]	225
[H]N([H])S(=O)(=O)C1=NN=C(S1)N([H])S(=O)(=O)C1=C([H])C([H])=C(C([H])=C1[H])C(=O)OC([H])([H])C([H])([H])C([H])([H])C([H])([H])O[N+]([O-])=O	46
[H]N([H])S(=O)(=O)C1=NN=C(S1)N([H])S(=O)(=O)C1=C([H])C([H])=C(C([H])=C1[H])C(=O)OC1=C(OC([H])([H])[H])C([H])=C(\C([H])=C(/[H])C(=O)OC([H])([H])C([H])([H])C([H])([H])C([H])([H])O[N+]([O-])=O)C([H])=C1[H]	38
[H]N([H])S(=O)(=O)C1=C([H])C([H])=C(C([H])=C1[H])C([H])([H])C([H])([H])C(=O)OC1=C(OC([H])([H])[H])C([H])=C(\C([H])=C(/[H])C(=O)OC([H])([H])C([H])([H])C([H])([H])C([H])([H])O[N+]([O-])=O)C([H])=C1[H]	139
[H]N([H])S(=O)(=O)C1=C([H])C([H])=C(OC([H])([H])C([H])([H])C([H])([H])O[N+]([O-])=O)C([H])=C1[H]	148
[H]N([H])S(=O)(=O)C1=C([H])C([H])=C(OC([H])([H])C([H])([H])C([H])([H])C([H])([H])O[N+]([O-])=O)C([H])=C1[H]	76
[H]N([H])S(=O)(=O)C1=C([H])C([H])=C(OC([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])O[N+]([O-])=O)C([H])=C1[H]	89
[H]OC(=O)C([H])([H])N([H])C1=NC(=NC(Cl)=N1)N([H])C([H])([H])C1=C([H])C([H])=C(C([H])=C1[H])S(=O)(=O)N([H])[H]	89
[H]OC(=O)C([H])([H])N([H])C1=NC(=NC(Cl)=N1)N([H])C([H])([H])C([H])([H])C1=C([H])C([H])=C(C([H])=C1[H])S(=O)(=O)N([H])[H]	97
[H]N([H])S(=O)(=O)C1=C([H])C([H])=C(C([H])=C1[H])N1C(=O)C2=C(C([H])=C([H])C([H])=C2[H])C11C2=C([H])C([H])=C(C([H])=C2OC2=C1C([H])=C([H])C(=C2[H])N(C([H])([H])C([H])([H])[H])C([H])([H])C([H])([H])[H])N(C([H])([H])C([H])([H])[H])C([H])([H])C([H])([H])[H]	7200
[H]N([H])S(=O)(=O)C1=C([H])C(=C([H])C([H])=C1[H])N1C(=O)C2=C(C([H])=C([H])C([H])=C2[H])C11C2=C([H])C([H])=C(C([H])=C2OC2=C1C([H])=C([H])C(=C2[H])N(C([H])([H])C([H])([H])[H])C([H])([H])C([H])([H])[H])N(C([H])([H])C([H])([H])[H])C([H])([H])C([H])([H])[H]	6740
[H]N([H])S(=O)(=O)C1=C([H])C([H])=C(C([H])=C1[H])C([H])([H])N1C(=O)C2=C(C([H])=C([H])C([H])=C2[H])C11C2=C([H])C([H])=C(C([H])=C2OC2=C1C([H])=C([H])C(=C2[H])N(C([H])([H])C([H])([H])[H])C([H])([H])C([H])([H])[H])N(C([H])([H])C([H])([H])[H])C([H])([H])C([H])([H])[H]	7450
[H]N([H])S(=O)(=O)C1=C([H])C([H])=C(C([H])=C1[H])C([H])([H])C([H])([H])N1C(=O)C2=C(C([H])=C([H])C([H])=C2[H])C11C2=C([H])C([H])=C(C([H])=C2OC2=C1C([H])=C([H])C(=C2[H])N(C([H])([H])C([H])([H])[H])C([H])([H])C([H])([H])[H])N(C([H])([H])C([H])([H])[H])C([H])([H])C([H])([H])[H]	7500
[H]N([H])S(=O)(=O)C1=NN=C(S1)N([H])S(=O)(=O)C1=C([H])C([H])=C([H])C([H])=C1[H]	12
[H]N([H])OC(=O)C1=NC2=C([H])C([H])=C(OC([H])([H])C([H])([H])[H])C([H])=C2S1	13
[H]N([H])OC(=O)C1=C([H])C(C(=O)ON([H])[H])=C(Cl)C(Cl)=C1[H]	120
[H]OC1=C(Br)C(Br)=C(C(Br)=C1O[H])C([H])([H])[C@]1([H])C(=O)C([H])([H])C([H])([H])C([H])([H])C1([H])[H]	1080
[H]C([H])([H])OC1=C(OC([H])([H])[H])C(Br)=C(C(Br)=C1Br)C([H])([H])[C@@]1([H])C(=O)C([H])([H])C([H])([H])C([H])([H])C1([H])[H]	7680
[H]C1=C(C(Br)=C(Br)C(OC([H])([H])[H])=C1OC([H])([H])[H])C([H])([H])[C@]1([H])C(=O)C([H])([H])C([H])([H])C([H])([H])C1([H])[H]	7420
[H]C1=C(Br)C(OC([H])([H])[H])=C(OC([H])([H])[H])C([H])=C1C([H])([H])[C@]1([H])C(=O)C([H])([H])C([H])([H])C([H])([H])C1([H])[H]	7030
[H]O[C@]1([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[C@@]1([H])C([H])([H])C1=C([H])C(OC([H])([H])[H])=C(OC([H])([H])[H])C(Br)=C1[H]	850
[H]O[C@@]1([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[C@]1([H])C([H])([H])C1=C([H])C(OC([H])([H])[H])=C(OC([H])([H])[H])C(Br)=C1Br	930
[H]C1=C(C([H])=C(C([H])=C1[N+]([O-])=O)[N+]([O-])=O)C(=O)O[C@@]1([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[C@]1([H])C([H])([H])C1=C([H])C(OC([H])([H])[H])=C(OC([H])([H])[H])C(Br)=C1Br	1120
[H]O[C@]1([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[C@]1([H])C([H])([H])[H]	8550
[H]C([H])([H])[C@@]1([H])C(=O)C([H])([H])C([H])([H])C([H])([H])C1([H])[H]	8930
[H]N([H])S(=O)(=O)C1=C([H])C([H])=C([H])C([H])=C1Br	1430
[H]N([H])S(=O)(=O)C1=C([H])C([H])=C([H])C([H])=C1[H]	1120
[H]N1C2=C([H])C([H])=C([H])C([H])=C2C2=C1C1=C(C([H])=C(OC([H])([H])[H])C([H])=C1OC([H])([H])[H])C2([H])[H]	4852
[H]N1C2=C([H])C([H])=C([H])C([H])=C2C2=C1C1=C(C([H])=C3OC([H])([H])OC3=C1[H])C2([H])[H]	5341
[H]N1C2=C([H])C([H])=C([H])C([H])=C2C2=C1C1=C(C([H])=C(F)C([H])=C1[H])C2([H])[H]	617
[H]N1C2=C([H])C([H])=C([H])C([H])=C2C2=C1C1=C(C([H])=C(Cl)C([H])=C1[H])C2([H])[H]	778
[H]N1C2=C([H])C([H])=C([H])C([H])=C2C2=C1C1=C(C([H])=C(Br)C([H])=C1[H])C2([H])[H]	532
[H]OC1=C([H])C([H])=C([H])C2=C1C([H])([H])C1=C2N([H])C2=C([H])C([H])=C([H])C([H])=C12	875
[H]OC1=C([H])C2=C(C([H])=C1[H])C1=C(C3=C([H])C([H])=C([H])C([H])=C3N1[H])C2([H])[H]	912
[H]OC1=C([H])C2=C(C([H])=C1[H])C([H])([H])C1=C2N([H])C2=C([H])C([H])=C([H])C([H])=C12	943
[H]OC1=C([H])C([H])=C([H])C2=C1C1=C(C3=C([H])C([H])=C([H])C([H])=C3N1[H])C2([H])[H]	1032
[H]OC1=C(O[H])C2=C(C([H])=C1[H])C1=C(C3=C([H])C([H])=C([H])C([H])=C3N1[H])C2([H])[H]	543
[H]OC1=C([H])C([H])=C(O[H])C2=C1C1=C(C3=C([H])C([H])=C([H])C([H])=C3N1[H])C2([H])[H]	435
[H]OC1=C([H])C2=C(C([H])=C1O[H])C([H])([H])C1=C2N([H])C2=C([H])C([H])=C([H])C([H])=C12	842
[H]OC1=C([H])C2=C(C3=C(C4=C([H])C([H])=C([H])C([H])=C4N3[H])C2([H])[H])C(O[H])=C1[H]	765
[H]N1C([H])=C([H])C2=C([H])C([H])=C([H])C([H])=C12	2330
[H]N([H])S(=O)(=O)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]	1040
CC[Hg]SC1=CC=CC=C1C(O)=O	5610
[H]C1=C([H])C2=C(OC(=O)C(Cl)=C2C([H])([H])[H])C([H])=C1OP(=S)(OC([H])([H])C([H])([H])[H])OC([H])([H])C([H])([H])[H]	5480
[H]N1C(=O)C([H])=C([H])C2=C1C([H])=C([H])C([H])=C2[H]	360
[H]O\N=C1/OC2=C([H])C([H])=C([H])C([H])=C2C([H])=C1[H]	750
[H]N1C2=C([H])C([H])=C([H])C([H])=C2C2=C1C1=C(C([H])=C([H])C([H])=C1[H])C2([H])[H]	4736
[H]N1C2=C([H])C([H])=C([H])C([H])=C2C2=C1C1=C(C(OC([H])([H])[H])=C([H])C([H])=C1[H])C2([H])[H]	4215
[H]N1C2=C([H])C([H])=C([H])C([H])=C2C2=C1C1=C(C([H])=C(OC([H])([H])[H])C([H])=C1[H])C2([H])[H]	4442
[H]N1C2=C([H])C([H])=C([H])C([H])=C2C2=C1C1=C(C([H])=C([H])C(OC([H])([H])[H])=C1[H])C2([H])[H]	4627
[H]N1C2=C([H])C([H])=C([H])C([H])=C2C2=C1C1=C(C(OC([H])([H])[H])=C(OC([H])([H])[H])C([H])=C1[H])C2([H])[H]	4082
[H]N1C2=C([H])C([H])=C([H])C([H])=C2C2=C1C1=C(C(OC([H])([H])[H])=C([H])C([H])=C1OC([H])([H])[H])C2([H])[H]	5726
[H]N1C2=C([H])C([H])=C([H])C([H])=C2C2=C1C1=C(C([H])=C(OC([H])([H])[H])C(OC([H])([H])[H])=C1[H])C2([H])[H]	4573
[H]O\N=C1\OC(=C([H])C(=C1[H])C([H])([H])[H])C([H])([H])[H]	260
[H]OC(=S)C1=C([H])C([H])=C([H])C([H])=C1[H]	8100
[H]SC1=C([H])C([H])=C([H])C([H])=[N+]1[O-]	6130
[H]OC1=C([H])C([H])=C(\C([H])=C(/[H])C2=C([H])C(O[H])=C([H])C(O[H])=C2[H])C([H])=C1[H]	4240
[H]OC1=C([H])C([H])=C(C([H])=C1[H])C([H])([H])C([H])([H])[C@]([H])(N([H])C([H])([H])C([H])([H])C1=C([H])C([H])=C(O[H])C(O[H])=C1[H])C([H])([H])[H]	8980
[H]O\C(\C(\[H])=C(/[H])C1=C([H])C([H])=C(O[H])C(OC([H])([H])[H])=C1[H])=C(\[H])C(=O)C(\[H])=C(/[H])C1=C([H])C(OC([H])([H])[H])=C(O[H])C([H])=C1[H]	4970
[H]OC1=C([H])C2=C(C(O[H])=C1[H])C([H])([H])[C@]([H])(O[H])[C@]([H])(O2)C1=C([H])C([H])=C(O[H])C(O[H])=C1[H]	4900
[H]N([H])C1=C(Cl)C([H])=C(C([H])=C1F)S(=O)(=O)N([H])C1=NN=C(S1)S(=O)(=O)N([H])[H]	15
[H]N([H])S(=O)(=O)C1=NN=C(S1)N([H])C(=O)C([H])([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]	413
[H]N([H])S(=O)(=O)C1=C([H])C([H])=C(C([H])=C1[H])C([H])([H])C([H])([H])[N+]1=C(C([H])=C(C([H])=C1C([H])([H])[H])C([H])([H])[H])C([H])([H])[H]	60
[H]N([H])S(=O)(=O)C1=C([H])C([H])=C(C([H])=C1[H])N1N=C([H])C2=C1C1=C([H])C([H])=C(C([H])=C1SC2([H])[H])C(F)(F)F	7140
[H]N([H])S(=O)(=O)C1=C([H])C([H])=C(C([H])=C1[H])N1N=C([H])C2=C1C1=C([H])C([H])=C(Cl)C([H])=C1SC2([H])[H]	7200
[H]N([H])S(=O)(=O)C1=C([H])C([H])=C(C([H])=C1[H])N1N=C([H])C2=C1C1=C([H])C([H])=C(OC([H])([H])[H])C([H])=C1SC2([H])[H]	8850
[H]OC1=C([H])C(=C(Br)C(Br)=C1O[H])C([H])([H])C1=C(O[H])C(Br)=C(O[H])C(=C1O[H])C([H])([H])C1=C([H])C(O[H])=C(O[H])C(Br)=C1Br	1840
[H]OC(=O)C1=C([H])C(OC([H])([H])[H])=C(OC([H])([H])[H])C([H])=C1[H]	6480
[H]OC(=O)C1=C([H])C([H])=C(O[H])C(O[H])=C1[H]	2450
[H]OC1=C([H])C([H])=C(C([H])=C1O[H])C([H])([H])C1=C([H])C(O[H])=C(O[H])C([H])=C1[H]	7640
[H]N([H])C1=C(C(=O)C2=C(O1)C([H])=C([H])C(Cl)=C2[H])C1=C([H])C([H])=C(OC([H])([H])[H])C([H])=C1[H]	3600
[H]N([H])C1=C(C(=O)C2=C(O1)C([H])=C([H])C(Cl)=C2[H])C1=C([H])C([H])=C(Cl)C([H])=C1[H]	3910
OC[C@H]1O[C@@H](CC(=O)\C=C\C2=CC=C(O)C=C2)[C@H](O)[C@@H](O)[C@H]1O	7750
OC[C@H]1O[C@@H](CC(=O)\C=C\C2=CC(O)=CC=C2)[C@H](O)[C@@H](O)[C@@H]1O	8750
CC(=O)OC[C@H]1O[C@@H](CC(=O)\C=C\C2=CC=C(O)C=C2)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O	5800
CC(=O)OC[C@H]1O[C@@H](CC(=O)\C=C\C2=CC(O)=CC=C2)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O	6700