smile	binding.affinity
[H]C1=NC([H])=C([H])C(=C1[H])C1=C(N=C2SC([H])([H])C([H])([H])N12)C1=C([H])C([H])=C(F)C([H])=C1[H]	5400
[H]C1=C([H])C(=C([H])C([H])=C1C1=C(C(=O)C([H])([H])C1([H])[H])C1=C([H])C([H])=C(F)C(F)=C1[H])S(=O)(=O)C([H])([H])[H]	2450
[H]C1=C([H])C([H])=C(C([H])=C1[H])C1=C(C2=C([H])C([H])=C(C([H])=C2[H])S(=O)(=O)C([H])([H])[H])C([H])([H])C([H])([H])C1=O	3600
[H]C1=NC([H])=C(C2=C(C3=C([H])C([H])=C(C([H])=C3[H])S(=O)(=O)C([H])([H])[H])C([H])([H])C([H])([H])C2=O)C(=C1[H])C([H])([H])[H]	4800
[H]C1=C([H])C(F)=C([H])C(=C1[H])C1=C(C2=C([H])C([H])=C(C([H])=C2[H])S(=O)(=O)C([H])([H])[H])C([H])([H])C([H])([H])C1=O	6600
[H]C1=C([H])C(=C([H])C([H])=C1C1=C(C(=O)C([H])([H])C1([H])[H])C1=C([H])C([H])=C(F)C(Cl)=C1[H])S(=O)(=O)C([H])([H])[H]	300
[H]C1=C([H])C(=C([H])C([H])=C1F)C1=C(C2=C([H])C([H])=C(C([H])=C2[H])S(=O)(=O)C([H])([H])[H])C([H])([H])C([H])([H])C1=O	2100
[H]C1=C([H])C(=C([H])C([H])=C1C1=C(C(=O)C([H])([H])C1([H])[H])C1=C([H])C([H])=C(Cl)C(F)=C1[H])S(=O)(=O)C([H])([H])[H]	400
[H]C1=C([H])C(=C([H])C([H])=C1C1=C(C(=O)C([H])([H])C1([H])[H])C1=C([H])C(Cl)=C(Cl)C(Cl)=C1[H])S(=O)(=O)C([H])([H])[H]	2500
[H]C1=NC([H])=C(C2=C(C3=C([H])C([H])=C(C([H])=C3[H])S(=O)(=O)C([H])([H])[H])C([H])([H])C([H])([H])C2=O)C(OC([H])([H])[H])=C1[H]	60
[H]C1=C([H])C([H])=C(C#CC2=C(C3=C([H])C([H])=C(C([H])=C3[H])S(=O)(=O)C([H])([H])[H])C([H])([H])C([H])([H])C2=O)C([H])=C1[H]	710
[H]C1=C(SC2=C1C([H])=C([H])C([H])=C2[H])C1=C(C2=C([H])C([H])=C(C([H])=C2[H])S(=O)(=O)C([H])([H])[H])C([H])([H])C([H])([H])C1=O	100
[H]C1=C([H])C(=C([H])C([H])=C1F)C1=C(C2=C([H])C([H])=C(C([H])=C2[H])S(=O)(=O)C([H])([H])[H])C([H])([H])OC1=O	7350
[H]N([H])S(=O)(=O)C1=C([H])C([H])=C(C([H])=C1[H])C1=C(C(=O)OC1([H])[H])C1=C([H])C([H])=C(F)C([H])=C1[H]	5800
[H]N1C(=C2C(=C1C1=C([H])C([H])=C(F)C([H])=C1[H])[C@]1([H])C([H])([H])C([H])([H])[C@@]2([H])C1([H])[H])C1=C([H])C([H])=C(F)C([H])=C1[H]	1
[H]N1C(=C2C(=C1C1=C([H])C([H])=C(F)C([H])=C1[H])[C@]1([H])C([H])([H])C([H])([H])[C@@]2([H])C([H])([H])C1([H])[H])C1=C([H])C([H])=C(F)C([H])=C1[H]	30
[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])=C2OC([H])([H])C([H])([H])C2=C1[H])C(F)(F)F	1202.26
[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(OC([H])([H])[H])C([H])=C1[H])C(F)(F)F	2570.4
[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(Cl)S1)C(F)(F)F	4677.35
[H]N([H])S(=O)(=O)C1=C([H])C([H])=C(C([H])=C1[H])N1N=C(C#N)C(Cl)=C1C1=C([H])C([H])=C(Cl)C([H])=C1[H]	141.25
[H]N([H])C1=C(N(N=C1[H])C1=C([H])C([H])=C(C([H])=C1[H])S(=O)(=O)N([H])[H])C1=C([H])C([H])=C([H])C([H])=C1[H]	5128.61
[H]N([H])S(=O)(=O)C1=C([H])C([H])=C(C([H])=C1[H])N1N=C(C(=C1C1=C([H])C([H])=C(Cl)C([H])=C1[H])C([H])([H])[H])C(F)(F)F	933.25
[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(Cl)C([H])=C1[H])C([H])([H])OC([H])([H])C1=C([H])C([H])=C([H])C([H])=C1[H]	8912.51
[H]N([H])C(=O)C1=NN(C(=C1Cl)C1=C([H])C([H])=C(Cl)C([H])=C1[H])C1=C([H])C([H])=C(C([H])=C1[H])S(=O)(=O)N([H])[H]	8709.64
[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(SC([H])([H])[H])C([H])=C1[H])C(F)(F)F	1202.26
[H]N([H])S(=O)(=O)C1=C([H])C([H])=C(C([H])=C1[H])N1N=C(C(Cl)=C1C1=C([H])C([H])=C(Cl)C([H])=C1[H])C(F)(F)F	64.57
[H]N([H])S(=O)(=O)C1=C([H])C([H])=C(C([H])=C1[H])N1N=C(C(=O)OC([H])([H])[H])C(Cl)=C1C1=C([H])C([H])=C(Cl)C([H])=C1[H]	407.38
[H]N([H])S(=O)(=O)C1=C([H])C([H])=C(C([H])=C1[H])N1N=C(C([H])=C1C1=C([H])C(=C(SC([H])([H])[H])C([H])=C1[H])C([H])([H])[H])C(F)(F)F	6309.57
[H]N([H])S(=O)(=O)C1=C([H])C([H])=C(C([H])=C1[H])N1N=C(C([H])=C1C1=C([H])C(F)=C(C([H])=C1[H])N(C([H])([H])[H])C([H])([H])[H])C(F)(F)F	3801.89
[H]N([H])S(=O)(=O)C1=C([H])C([H])=C(C([H])=C1[H])C1=C(N=C(O1)C([H])([H])[H])C1=C([H])C([H])=C(S1)C([H])([H])[H]	1800
[H]OC1=C([H])C(\C([H])=C(/[H])C2=C([H])C([H])=C(O[H])C(=C2[H])C([H])([H])[C@@]([H])(O[H])C(O[H])(C([H])([H])[H])C([H])([H])[H])=C([H])C(O[H])=C1[H]	480
[H]OC1=C([H])C([H])=C2C([H])=C(OC2=C1[H])C1=C([H])C(O[H])=C([H])C(O[H])=C1[H]	500
[H]OC1=C([H])C(\C([H])=C(/[H])C2=C([H])C([H])=C(O[H])C(=C2[H])C([H])([H])C([H])=C(C([H])([H])[H])C([H])([H])[H])=C([H])C(O[H])=C1[H]	610
[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]	2610
[H]OC1=C([H])C(O[H])=C(\C([H])=C(/[H])C2=C([H])C(O[H])=C([H])C(O[H])=C2[H])C([H])=C1[H]	1400
[H]OC1=C([H])C(\C([H])=C(/[H])C2=C(O[H])C([H])=C(O[H])C(=C2[H])C([H])([H])C([H])=C(C([H])([H])[H])C([H])([H])[H])=C([H])C(O[H])=C1[H]	4100
[H]OC1=C([H])C(=C([H])C(O[H])=C1[H])C1=C([H])C2=C([H])C([H])=C(O[H])C(=C2O1)C([H])([H])C([H])=C(C([H])([H])[H])C([H])([H])[H]	4900
[H]OC1=C([H])C([H])=C(C(O[H])=C1[H])[C@]1([H])OC2=C(C(O[H])=C([H])C(O[H])=C2[H])C(=O)C1([H])[H]	5900
[H]OC1=C([H])C([H])=C(C([H])=C1[H])[C@@]1([H])OC2=C([H])C(O[H])=C([H])C(O[H])=C2C([H])([H])[C@]1([H])O[C@]1([H])O[C@@]([H])(C([H])([H])[H])[C@]([H])(O[H])[C@@]([H])(O[H])[C@@]1([H])O[H]	8300
[H]N([H])S(=O)(=O)C1=C([H])C([H])=C(C([H])=C1[H])C1=C([H])OC(=O)N1C1=C([H])C([H])=C(OC([H])([H])[H])C([H])=C1[H]	899.75
[H]C1=C(N(C(=O)O1)C1=C([H])C([H])=C(F)C([H])=C1[H])C1=C([H])C([H])=C(C([H])=C1[H])S(=O)(=O)C([H])([H])[H]	5102.525
[H]N([H])S(=O)(=O)C1=C([H])C([H])=C(C([H])=C1[H])C1=C([H])OC(=O)N1C1=C([H])C([H])=C(OC([H])([H])[H])C(F)=C1[H]	5102.525
[H]N([H])S(=O)(=O)C1=C([H])C([H])=C(C([H])=C1[H])C1=C([H])OC(=O)N1C1=C([H])C([H])=C(Cl)C(Cl)=C1[H]	1500
[H]N([H])S(=O)(=O)C1=C([H])C([H])=C(C([H])=C1[H])C1=C(OC(=O)N1C1=C([H])C([H])=C(Cl)C(Cl)=C1[H])C([H])([H])[H]	8704.82
[H]N([H])S(=O)(=O)C1=C([H])C([H])=C(C([H])=C1[H])C1=C([H])OC(=O)N1C1=C([H])C([H])=C(Cl)C([H])=C1[H]	6999.21
[H]C1=C(N(N=C1C([H])([H])OC1=C([H])C(=C([H])C(F)=C1[H])C1(OC([H])([H])[H])C([H])([H])C([H])([H])OC([H])([H])C1([H])[H])C1=C([H])C([H])=C(C([H])=C1[H])S(=O)(=O)C([H])([H])[H])C1=C([H])C([H])=C([H])C([H])=C1[H]	5005
[H]OC(=O)C([H])([H])C1=C(C(=C2N1C([H])([H])C(C([H])([H])[H])(C([H])([H])[H])C2([H])[H])C1=C([H])C([H])=C([H])C([H])=C1[H])C1=C([H])C([H])=C(Cl)C([H])=C1[H]	160
[H]N1C2=C(C([H])=C([H])C([H])=C2[H])C2=C1C1=NC3=C([H])C([H])=C([H])C([H])=C3C(=O)N1C([H])([H])C2([H])[H]	8700
[H]OC1=C([H])C(O[H])=C2C(O[C@]([H])(C3=C([H])C(O[H])=C(OC([H])([H])[H])C(O[H])=C3[H])[C@]([H])(O[H])C2([H])[H])=C1[H]	7650
[H]C1=C2[C@@]([H])(C([H])([H])C([H])([H])C(=O)C2(C([H])([H])[H])C([H])([H])[H])[C@]2(C([H])([H])[H])C([H])([H])C([H])([H])[C@@]3(C([H])([H])[H])[C@]4([H])C([H])([H])C(C([H])([H])[H])(C([H])([H])[H])C([H])([H])C([H])([H])[C@]4(C([H])([H])[H])C([H])([H])C([H])([H])[C@]3(C([H])([H])[H])[C@@]2([H])C1([H])[H]	3600
[H]OC1=C([H])C([H])=C(\C([H])=C(/[H])C(=O)C2=C(OC([H])([H])[H])C([H])=C(O[H])C(=C2O[H])C([H])([H])[C@]([H])(C(=C([H])[H])C([H])([H])[H])C([H])([H])C([H])=C(C([H])([H])[H])C([H])([H])[H])C(O[H])=C1[H]	600
[H]OC1=C([H])C([H])=C(C(O[H])=C1[H])[C@@]1([H])OC2=C(C(O[H])=C([H])C(OC([H])([H])[H])=C2C(=O)C1([H])[H])C([H])([H])[C@@]([H])(C(=C([H])[H])C([H])([H])[H])C([H])([H])C([H])=C(C([H])([H])[H])C([H])([H])[H]	600
[H]OC1=C([H])C2=C(C(=O)C3=C(C(O[H])=C(O[H])C([H])=C3O2)C([H])([H])C([H])=C(C([H])([H])[H])C([H])([H])[H])C(O[H])=C1C([H])([H])C([H])=C(C([H])([H])[H])C([H])([H])[H]	800
[H]OC(=O)C([H])([H])C1=C(N(C(=O)C2=C([H])C([H])=C(Cl)C([H])=C2[H])C2=C1C([H])=C(OC([H])([H])[H])C([H])=C2[H])C([H])([H])[H]	175
[H]OC1=C([H])C([H])=C2O[C@](C([H])=C([H])C2=C1[H])(C([H])([H])[H])C([H])([H])O[H]	4700
[H]OC(=O)[C@]1(OC2=C(C(=C(O[H])C(=C2C([H])([H])[H])C([H])([H])[H])C([H])([H])[H])C([H])([H])C1([H])[H])C([H])([H])[H]	130
[H]OC(=O)C([H])([H])C1=C([H])C([H])=C([H])N1C1=C([H])C2=C(OC([H])([H])C([H])([H])O2)C([H])=C1[H]	1900
[H]OC(=O)[C@]([H])(C1=C([H])C([H])=C(C([H])=C1[H])C([H])([H])C([H])(C([H])([H])[H])C([H])([H])[H])C([H])([H])[H]	6900
[H]N(C(=O)C([H])([H])C1=C(N(C(=O)C2=C([H])C([H])=C(Cl)C([H])=C2[H])C2=C1C([H])=C(OC([H])([H])[H])C([H])=C2[H])C([H])([H])[H])C([H])([H])C(C([H])([H])[H])(C([H])([H])[H])C([H])([H])O[N+]([O-])=O	2600
[H]N(OC(=O)C([H])([H])[H])C(=O)C([H])([H])C1=C(N(C(=O)C2=C([H])C([H])=C(Cl)C([H])=C2[H])C2=C1C([H])=C(OC([H])([H])[H])C([H])=C2[H])C([H])([H])[H]	3600
[H]OC([H])([H])C([H])([H])C1=C(N(C(=O)C2=C([H])C([H])=C(Cl)C([H])=C2[H])C2=C1C([H])=C(OC([H])([H])[H])C([H])=C2[H])C([H])([H])[H]	2300
[H]ON([H])C(=O)C([H])([H])C1=C(N(C(=O)C2=C([H])C([H])=C(Cl)C([H])=C2[H])C2=C([H])C([H])=C(OC([H])([H])[H])C([H])=C12)C([H])([H])[H]	2800
[H]OC([H])([H])C([H])([H])C([H])([H])S(=O)(=O)N([H])C([H])([H])C([H])([H])C1=C(N(C(=O)C2=C([H])C([H])=C(Cl)C([H])=C2[H])C2=C1C([H])=C(OC([H])([H])[H])C([H])=C2[H])C([H])([H])[H]	3700
[H]N(C(=O)C([H])([H])C1=C(N(C(=O)C2=C([H])C([H])=C(Cl)C([H])=C2[H])C2=C1C([H])=C(OC([H])([H])[H])C([H])=C2[H])C([H])([H])[H])C([H])([H])C([H])([H])C([H])([H])O[N+]([O-])=O	6000
[H]OC([H])([H])C([H])([H])C([H])([H])C([H])([H])N([H])C(=O)C([H])([H])C1=C(N(C(=O)C2=C([H])C([H])=C(Cl)C([H])=C2[H])C2=C([H])C([H])=C(OC([H])([H])[H])C([H])=C12)C([H])([H])[H]	2400
[H]OC1=C([H])C2=C(C([H])=C1[H])N(C(=O)C1=C([H])C([H])=C(Cl)C([H])=C1[H])C(=C2C([H])([H])C(=O)N([H])C([H])([H])C([H])([H])C([H])([H])O[H])C([H])([H])[H]	5400
[H]N(C([H])([H])C([H])([H])C1=C(N(C(=O)C2=C([H])C([H])=C(Cl)C([H])=C2[H])C2=C1C([H])=C(OC([H])([H])[H])C([H])=C2[H])C([H])([H])[H])S(=O)(=O)C1=C([H])C([H])=C(C([H])=C1[H])C([H])([H])O[N+]([O-])=O	1900
[H]N(C(=O)C([H])([H])C1=C(N(C(=O)C2=C([H])C([H])=C(Cl)C([H])=C2[H])C2=C1C([H])=C(OC([H])([H])[H])C([H])=C2[H])C([H])([H])[H])C(C([H])([H])O[N+]([O-])=O)(C([H])([H])O[N+]([O-])=O)C([H])([H])O[N+]([O-])=O	1200
[H]N(C(=O)N([H])C([H])([H])C([H])([H])C([H])([H])O[N+]([O-])=O)C([H])([H])C([H])([H])C1=C(N(C(=O)C2=C([H])C([H])=C(Cl)C([H])=C2[H])C2=C1C([H])=C(OC([H])([H])[H])C([H])=C2[H])C([H])([H])[H]	3000
[H]OC1=C([H])C2=C(C([H])=C1[H])N(C(=O)C1=C([H])C([H])=C(Cl)C([H])=C1[H])C(=C2C([H])([H])C(=O)N([H])C([H])([H])C([H])([H])C([H])([H])O[N+]([O-])=O)C([H])([H])[H]	4700
[H]OC([H])([H])C([H])([H])C([H])([H])N([H])C(=O)C([H])([H])C1=C(N(C(=O)C2=C([H])C([H])=C(Cl)C([H])=C2[H])C2=C1C([H])=C(OC([H])([H])[H])C([H])=C2[H])C([H])([H])[H]	3300
[H]OC(=O)C([H])([H])C1=C(N(C(=O)C2=C([H])C([H])=C(Cl)C([H])=C2[H])C2=C1C([H])=C(OC([H])([H])[H])C(Cl)=C2[H])C([H])([H])[H]	1600
[H]OC1=C(N(C([H])([H])[H])S(=O)(=O)C2=C([H])C([H])=C([H])C([H])=C12)C(=O)N([H])C1=NC([H])=C(S1)C([H])([H])[H]	1400
[H]OC(=O)C([H])([H])C1=C(N([H])C2=C(Cl)C([H])=C([H])C([H])=C2Cl)C([H])=C([H])C([H])=C1[H]	76.5
[H]N(C1=C(OC2=C([H])C([H])=C([H])C([H])=C2[H])C([H])=NC([H])=C1[H])S(=O)(=O)C([H])([H])[H]	410
[H]N(C1=C(OC2=C([H])C([H])=C([H])C([H])=C2[H])C([H])=NC([H])=C1[H])S(=O)(=O)C(F)(F)F	140
[H]N(C1=C(SC2=C([H])C([H])=C([H])C([H])=C2[H])C([H])=NC([H])=C1[H])S(=O)(=O)C([H])([H])[H]	3620
[H]N(C1=C([H])C([H])=C([H])C([H])=C1[H])C1=C(N([H])S(=O)(=O)C(F)(F)F)C([H])=C([H])N=C1[H]	180
[H]N(C1=C([H])C([H])=C(OC([H])([H])[H])C([H])=C1[H])C1=C(N([H])S(=O)(=O)C(F)(F)F)C([H])=C([H])N=C1[H]	100
[H]N(C1=C([H])C([H])=C([H])C([H])=C1[H])C1=C(N([H])S(=O)(=O)C([H])([H])[H])C([H])=C([H])N=C1[H]	2260
[H]N(C1=C(N([H])S(=O)(=O)C([H])([H])[H])C([H])=C([H])N=C1[H])C1=C(Cl)C([H])=C([H])C([H])=C1[H]	480
[H]N(C1=C([H])C(Cl)=C([H])C([H])=C1[H])C1=C(N([H])S(=O)(=O)C([H])([H])[H])C([H])=C([H])N=C1[H]	7150
[H]N(C1=C([H])C([H])=C(Cl)C([H])=C1[H])C1=C(N([H])S(=O)(=O)C([H])([H])[H])C([H])=C([H])N=C1[H]	1310
[H]N(C1=C([H])C([H])=C(Br)C([H])=C1[H])C1=C(N([H])S(=O)(=O)C([H])([H])[H])C([H])=C([H])N=C1[H]	2120
[H]N(C1=C(N([H])S(=O)(=O)C([H])([H])[H])C([H])=C([H])N=C1[H])C1=C(C([H])=C([H])C([H])=C1[H])C([H])([H])[H]	560
[H]N(C1=C([H])C(=C([H])C([H])=C1[H])C([H])([H])[H])C1=C(N([H])S(=O)(=O)C([H])([H])[H])C([H])=C([H])N=C1[H]	2570
[H]N(C1=C([H])C([H])=C(C([H])=C1[H])C([H])([H])[H])C1=C(N([H])S(=O)(=O)C([H])([H])[H])C([H])=C([H])N=C1[H]	1310
[H]N(C1=C(N([H])S(=O)(=O)C([H])([H])[H])C([H])=C([H])N=C1[H])C1=C(C([H])=C([H])C([H])=C1[H])C([H])([H])C([H])([H])[H]	3790
[H]N(C1=C([H])C([H])=C(C([H])=C1[H])C([H])([H])C([H])([H])[H])C1=C(N([H])S(=O)(=O)C([H])([H])[H])C([H])=C([H])N=C1[H]	2730
[H]N(C1=C(N([H])S(=O)(=O)C([H])([H])[H])C([H])=C([H])N=C1[H])C1=C(OC([H])([H])[H])C([H])=C([H])C([H])=C1[H]	9760
[H]N(C1=C([H])C([H])=C(OC([H])([H])[H])C([H])=C1[H])C1=C(N([H])S(=O)(=O)C([H])([H])[H])C([H])=C([H])N=C1[H]	560
[H]N(C1=C(N([H])S(=O)(=O)C(F)(F)F)C([H])=C([H])N=C1[H])C1([H])C([H])([H])C([H])([H])C([H])([H])C1([H])[H]	1150
[H]N(C1=C(N([H])S(=O)(=O)C([H])([H])[H])C([H])=C([H])N=C1[H])C1([H])C([H])([H])C([H])([H])C([H])([H])C1([H])[H]	8550
[H]N(C1=C([H])N=C([H])C([H])=C1N([H])S(=O)(=O)C(F)(F)F)C1([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C1([H])[H]	80
[H]N(C1=C([H])N=C([H])C([H])=C1N([H])S(=O)(=O)C([H])([H])[H])C1([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C1([H])[H]	270
[H]N(C1=C(N([H])S(=O)(=O)C(F)(F)F)C([H])=C([H])N=C1[H])C1([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C1([H])[H]	760
[H]N(C1=C([H])N=C([H])C([H])=C1N([H])S(=O)(=O)C([H])([H])[H])C1([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C1([H])[H]	940
[H]N(C1=C([H])C([H])=C([H])C([H])=C1[H])C1=C(N([H])S(=O)(=O)C([H])([H])C([H])([H])C(F)(F)F)C([H])=C([H])N=C1[H]	2060
[H]N(C1=C(OC2=C([H])C([H])=C([H])C([H])=C2[H])C([H])=C(C([H])=C1[H])[N+]([O-])=O)S(=O)(=O)C([H])([H])[H]	3760
[H]N(C1=C(N([H])S(=O)(=O)C(F)(F)F)C([H])=C([H])N=C1[H])C1=C(Cl)C([H])=C([H])C([H])=C1[H]	190
[H]N(C1=C([H])C(Cl)=C([H])C([H])=C1[H])C1=C(N([H])S(=O)(=O)C(F)(F)F)C([H])=C([H])N=C1[H]	1090
[H]N(C1=C([H])C([H])=C(Cl)C([H])=C1[H])C1=C(N([H])S(=O)(=O)C(F)(F)F)C([H])=C([H])N=C1[H]	1150
[H]N(C1=C([H])C(Br)=C([H])C([H])=C1[H])C1=C(N([H])S(=O)(=O)C(F)(F)F)C([H])=C([H])N=C1[H]	910
[H]N(C1=C([H])C([H])=C(Br)C([H])=C1[H])C1=C(N([H])S(=O)(=O)C(F)(F)F)C([H])=C([H])N=C1[H]	1600
[H]N(C1=C(N([H])S(=O)(=O)C(F)(F)F)C([H])=C([H])N=C1[H])C1=C(C([H])=C([H])C([H])=C1[H])C([H])([H])[H]	480
[H]N(C1=C([H])C(=C([H])C([H])=C1[H])C([H])([H])[H])C1=C(N([H])S(=O)(=O)C(F)(F)F)C([H])=C([H])N=C1[H]	990
[H]N(C1=C([H])C([H])=C(C([H])=C1[H])C([H])([H])[H])C1=C(N([H])S(=O)(=O)C(F)(F)F)C([H])=C([H])N=C1[H]	170
[H]N(C1=C(N([H])S(=O)(=O)C(F)(F)F)C([H])=C([H])N=C1[H])C1=C(C([H])=C([H])C([H])=C1[H])C([H])([H])C([H])([H])[H]	3250
[H]N(C1=C([H])C(=C([H])C([H])=C1[H])C([H])([H])C([H])([H])[H])C1=C(N([H])S(=O)(=O)C(F)(F)F)C([H])=C([H])N=C1[H]	690
[H]N(C1=C([H])C([H])=C(C([H])=C1[H])C([H])([H])C([H])([H])[H])C1=C(N([H])S(=O)(=O)C(F)(F)F)C([H])=C([H])N=C1[H]	1220
[H]N(C1=C(N([H])S(=O)(=O)C(F)(F)F)C([H])=C([H])N=C1[H])C1=C(OC([H])([H])[H])C([H])=C([H])C([H])=C1[H]	1110
[H]N(C1=C([H])C(OC([H])([H])[H])=C([H])C([H])=C1[H])C1=C(N([H])S(=O)(=O)C(F)(F)F)C([H])=C([H])N=C1[H]	1000
[H]C1=C2N(C(=O)C3=C([H])C([H])=C(Cl)C([H])=C3[H])C3=C(C2=C([H])C(OC([H])([H])[H])=C1[H])C([H])([H])N(C([H])([H])C([H])([H])C([H])([H])OC1=C([H])C(=C([H])C(F)=C1[H])C1(OC([H])([H])[H])C([H])([H])C([H])([H])OC([H])([H])C1([H])[H])C([H])([H])C3([H])[H]	7400
[H]N1C([H])([H])C2=C(N(C(=O)C3=C([H])C([H])=C([H])C([H])=C3[H])C3=C([H])C([H])=C(OC([H])([H])[H])C([H])=C23)C([H])([H])C1([H])[H]	6000
[H]C1=C([H])C(F)=C([H])C(=C1[H])C(=O)N1C2=C([H])C([H])=C(OC([H])([H])[H])C([H])=C2C2=C1C([H])([H])C([H])([H])N(C([H])([H])C([H])([H])C([H])([H])OC1=C([H])C(=C([H])C(F)=C1[H])C1(OC([H])([H])[H])C([H])([H])C([H])([H])OC([H])([H])C1([H])[H])C2([H])[H]	7800
[H]C1=C([H])C([H])=C(OC2=C([H])C(=C([H])C([H])=C2[H])[C@]2([H])S[C@@]([H])(C(=O)N2C([H])([H])C([H])([H])C([H])([H])C([H])([H])C2=C([H])C([H])=C(C([H])=C2[H])C(=O)OC([H])([H])[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])C([H])=C1[H]	3700
[H]C1=C([H])C([H])=C(C([H])=C1[H])N1N(C(=O)C([H])(C1=O)C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])C1=C([H])C([H])=C([H])C([H])=C1[H]	3000
[H]C1=C([H])C(OC2=C([H])C([H])=C(Cl)C([H])=C2[H])=C([H])C(=C1[H])[C@]1([H])S[C@@]([H])(C(=O)N1C([H])([H])C([H])([H])C([H])([H])C([H])([H])C1=C([H])C([H])=C(C([H])=C1[H])C(=O)OC(C([H])([H])[H])(C([H])([H])[H])C([H])([H])[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H]	9400
[H]C1=C([H])C([H])=C(OC2=C([H])C(=C([H])C([H])=C2[H])[C@]2([H])S[C@@]([H])(C(=O)N2C([H])([H])C([H])([H])C([H])([H])C([H])([H])C2=C([H])C([H])=C(C([H])=C2[H])C(=O)OC([H])([H])C([H])([H])[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])C([H])=C1[H]	2800
[H]N([H])S(=O)(=O)C1=C([H])C([H])=C(C([H])=C1[H])C1=C(N=C(O1)C([H])([H])[H])C1=C([H])C([H])=C(F)C([H])=C1[H]	5000
[H]N([H])S(=O)(=O)C1=C([H])C([H])=C(C([H])=C1[H])C1=C([H])OC(=O)N1C1=C([H])C([H])=C([H])C(=C1[H])C([H])([H])[H]	6603.465
[H]C1=C(N(C(=O)O1)C1=C([H])C([H])=C(F)C([H])=C1F)C1=C([H])C([H])=C(C([H])=C1[H])S(=O)(=O)C([H])([H])[H]	6937.13
[H]C1=C([H])C([H])=C(C([H])=C1[H])C1=C(C(=O)OC(OC([H])([H])C([H])(C([H])([H])[H])C([H])([H])[H])=C1[H])C1=C([H])C([H])=C(C([H])=C1[H])S(=O)(=O)C([H])([H])[H]	3100
[H]N([H])S(=O)(=O)C1=C([H])C([H])=C(C([H])=C1[H])C1=C([H])OC(=O)N1C1=C([H])C([H])=C(OC([H])([H])[H])C(Cl)=C1[H]	5797.145
[H]C1=C([H])C([H])=C(C([H])=C1[H])C1=C(C(=O)OC(OC([H])(C([H])([H])[H])C([H])([H])[H])=C1[H])C1=C([H])C([H])=C(C([H])=C1[H])S(=O)(=O)C([H])([H])[H]	4000
[H]C1=C([H])C([H])=C(C([H])=C1[H])C1=C(C(=O)OC(=C1[H])C([H])([H])C([H])([H])[H])C1=C([H])C([H])=C(C([H])=C1[H])S(=O)(=O)C([H])([H])[H]	8000
[H]N([H])C1=C(OC([H])([H])[H])C([H])=C([H])C([H])=C1C1=C([H])C(=O)C2=C([H])C([H])=C([H])C([H])=C2O1	1000
[H]N1C(=NC(=C1C1=C([H])C([H])=NC([H])=C1[H])C1=C([H])C([H])=C(F)C([H])=C1[H])C1=C([H])C([H])=C(C([H])=C1[H])[S@+]([O-])C([H])([H])[H]	2000
[H]OC(=O)C([H])([H])C1=C(C(=NO1)C1=C([H])C([H])=C(OC([H])([H])[H])C([H])=C1[H])C1=C([H])C([H])=C(OC([H])([H])[H])C([H])=C1[H]	1.4
[H]N([H])C1=C([H])C(N([H])C(=O)C2=C([H])C([H])=C([H])C(=C2[H])C(F)(F)F)=C([H])C([H])=C1[H]	7200
[H]N([H])C1=C([H])N=C(N([H])C(=O)C2=C([H])C([H])=C(C([H])=C2[H])C(F)(F)F)C([H])=C1[H]	800
[H]C1=C([H])C(=C([H])C([H])=C1OC([H])([H])[H])C1=C(N=C(S1)C(=O)N1C([H])([H])C([H])([H])N(C([H])([H])[H])C([H])([H])C1([H])[H])C1=C([H])C([H])=C(OC([H])([H])[H])C([H])=C1[H]	28
[H]OC1=C([H])C(=C2O[C@@](C([H])=C([H])C2=C1[H])(C([H])([H])[H])C([H])([H])C([H])([H])C([H])=C(C([H])([H])[H])C([H])([H])[H])C([H])([H])[H]	3300
[H]OC1=C(C([H])=C([H])C(=C1[H])C([H])(C([H])([H])[H])C([H])([H])[H])C([H])([H])[H]	4000
[H]OC1=C(OC([H])([H])[H])C([H])=C(C([H])=C1[H])C([H])([H])N([H])C(=O)C([H])([H])C([H])([H])C([H])([H])C([H])([H])C(\[H])=C(/[H])C([H])(C([H])([H])[H])C([H])([H])[H]	3800
[H]C([H])=C([H])C([H])([H])C1=C([H])C(OC([H])([H])[H])=C(OC(=O)C([H])([H])[H])C([H])=C1[H]	3000
[H]OC(=O)C([H])([H])C1=C([H])\C(=C(\[H])C2=C([H])C([H])=C(SC([H])([H])[H])C([H])=C2[H])C2=C([H])C([H])=C(F)C([H])=C12	958
[H]OC(=O)C([H])([H])C1=C([H])\C(=C(\[H])C2=C([H])C([H])=C(C([H])=C2[H])C2=C([H])C([H])=C([H])C([H])=C2[H])C2=C([H])C([H])=C(F)C([H])=C12	300
[H]N(C(=O)C([H])([H])C1=C([H])\C(=C(\[H])C2=C([H])C([H])=C(C([H])=C2[H])C2=C([H])C([H])=C([H])C([H])=C2[H])C2=C1C([H])=C(F)C([H])=C2[H])S(=O)(=O)C(F)(F)F	495
[H]C1=C(N(N=C1C(F)(F)F)C1=C([H])C([H])=C(OC([H])([H])[H])C([H])=C1[H])C1=C([H])C([H])=C(Cl)C([H])=C1[H]	9
[H]OC(=O)C([H])([H])C1=C(\C(=C(/[H])C2=C([H])C([H])=C(SC([H])([H])[H])C([H])=C2[H])C2=C([H])C([H])=C(F)C([H])=C12)C([H])([H])[H]	115
[H]OC(=O)[C@]([H])(C1=C([H])C([H])=C(N([H])[C@@]2([H])C([H])([H])C([H])([H])C([H])([H])[C@]2([H])O[H])C([H])=C1F)C([H])([H])[H]	9000
[H]OC(=O)[C@]([H])(C1=C([H])C([H])=C(O[C@]2([H])C(=O)C([H])([H])C([H])([H])C2([H])[H])C([H])=C1F)C([H])([H])[H]	1500
[H]OC(=O)[C@]([H])(C1=C([H])C([H])=C(OC2([H])C([H])([H])C([H])([H])C([H])([H])C2([H])[H])C([H])=C1F)C([H])([H])[H]	3000
[H]OC(=O)[C@]([H])(C1=C([H])C([H])=C(C([H])=C1F)C([H])([H])C1=C([H])SC([H])=C1[H])C([H])([H])[H]	9500
[H]N([H])S(=O)(=O)C1=C([H])C([H])=C(C([H])=C1[H])[C@@]1([H])S[C@]([H])(N([H])C([H])([H])C2=C([H])C([H])=C([H])C([H])=C2[H])N([H])[C@]1([H])C1=C([H])C([H])=C(OC([H])([H])[H])C(F)=C1[H]	20
[H]OC(=O)C([H])([H])C1=C([H])C(=C([H])C([H])=C1N([H])C1=C(Cl)C([H])=C([H])C([H])=C1F)C([H])([H])[H]	7
[H]C1=C([H])C(=C([H])C([H])=C1C1=C(OC2=C([H])C([H])=C(C([H])=C2F)C([H])([H])[H])C(=O)C([H])=C(O1)C([H])([H])[H])S(=O)(=O)C([H])([H])[H]	6900
[H]OC(=O)C1=C([H])C([H])=C([H])C([H])=C1N([H])C1=C([H])C([H])=C([H])C(=C1[H])C(F)(F)F	2615
[H]OC(=O)C1=C(N([H])C2=C(Cl)C(=C([H])C([H])=C2Cl)C([H])([H])[H])C([H])=C([H])C([H])=C1[H]	220
CCS(=O)(=O)C1=NC(=C(N1)C1=CC=C(C=C1)S(C)(=O)=O)C1=CC=C(Cl)C=C1	440
CCS(=O)(=O)C1=NC(=C(N1)C1=CC=C(C=C1)S(C)(=O)=O)C1=CC=C(F)C=C1	400
CCS(=O)(=O)C1=NC(=C(N1)C1=CC=C(C=C1)S(C)(=O)=O)C1=CC=CC=C1	360
CCSC1=NC(=C(N1)C1=CC=C(C=C1)S(C)(=O)=O)C1=CC=C(Cl)C=C1	390
CCSC1=NC(=C(N1)C1=CC=C(C=C1)S(C)(=O)=O)C1=CC=C(F)C=C1	240
CCSC1=NC(=C(N1)C1=CC=C(C=C1)S(C)(=O)=O)C1=CC=CC=C1	170
CS(=O)(=O)C1=NC(=C(N1)C1=CC=C(C=C1)S(C)(=O)=O)C1=CC=C(Cl)C=C1	420
CS(=O)(=O)C1=NC(=C(N1)C1=CC=C(C=C1)S(C)(=O)=O)C1=CC=C(F)C=C1	390
CS(=O)(=O)C1=NC(=C(N1)C1=CC=C(C=C1)S(C)(=O)=O)C1=CC=CC=C1	340
CSC1=NC(=C(N1)C1=CC=C(C=C1)S(C)(=O)=O)C1=CC=C(Cl)C=C1	320
CSC1=NC(=C(N1)C1=CC=C(C=C1)S(C)(=O)=O)C1=CC=C(F)C=C1	210
CSC1=NC(=C(N1)C1=CC=C(C=C1)S(C)(=O)=O)C1=CC=CC=C1	160
COC1=CC=C2N(C(=O)C3=CC=C(Cl)C=C3)C3=C(CC(CC3)C(O)=O)C2=C1	750
COC1=CC=C2N(C=C(CC(=O)NS(=O)(=O)C(F)(F)F)C2=C1)C(=O)C1=CC=C(Cl)C=C1	2190