smile	binding.affinity
[H]OC1=C(Cl)C([H])=C2C(=C1[H])[C@@]([H])(C1=C([H])C([H])=C([H])C([H])=C1[H])C([H])([H])N(C([H])([H])[H])C([H])([H])C2([H])[H]	18
[H]C1=C([H])C2=C(C([H])=C1[H])[C@]([H])(N1C([H])([H])C([H])([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])([H])C1([H])[H])C([H])([H])C([H])([H])C2([H])[H]	1000
[H]N(C(=O)C1=C([H])C([H])=C(F)C([H])=C1[H])C([H])([H])C([H])([H])N1C([H])([H])C([H])([H])N(C([H])([H])C1([H])[H])[C@@]1([H])C2=C(C([H])=C([H])C([H])=C2[H])C([H])([H])C([H])([H])C1([H])[H]	3090
[H]OC([H])([H])C([H])([H])N1C([H])([H])C([H])([H])N(C([H])([H])C([H])([H])C(\[H])=C2/C3=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]	180
[H]OC1=C(O[H])C([H])=C(C([H])=C1[H])C([H])([H])C([H])([H])N([H])[H]	222.86
[H]N(C(=O)C1=C([H])C(Cl)=C(N([H])C([H])([H])[H])C([H])=C1OC([H])([H])[H])C([H])([H])[C@@]1([H])C([H])([H])N(C([H])([H])C2=C([H])C([H])=C([H])C([H])=C2[H])C([H])([H])[C@@]1([H])C([H])([H])C([H])([H])C([H])([H])[H]	3050
[H]N(C(=O)C1=C([H])C(Cl)=C(N([H])C([H])([H])[H])C([H])=C1OC([H])([H])[H])C([H])([H])[C@]1([H])C([H])([H])N(C([H])([H])C2=C([H])C([H])=C([H])C([H])=C2[H])C([H])([H])C1([H])[H]	7400
[H]N(C(=O)C1=C([H])C(Br)=C([H])C([H])=C1OC([H])([H])[H])C([H])([H])[C@]1([H])C([H])([H])N(C([H])([H])C2=C([H])C([H])=C([H])C([H])=C2[H])C([H])([H])C1([H])[H]	4450
[H]N1C([H])=C(C([H])=C1C([H])=C(C#N)C#N)C([H])([H])N1C([H])([H])C([H])([H])N(C2=C([H])C([H])=C(Cl)C([H])=C2[H])C([H])([H])C1([H])[H]	5300
[H]N1C2=C([H])C([H])=C([H])C([H])=C2C(=NC2=C1C([H])=C([H])C(Cl)=C2[H])N1C([H])([H])C([H])([H])N(C([H])([H])[H])C([H])([H])C1([H])[H]	420
[H]N1C([H])=C(C([H])=C1C([H])=C(C#N)C#N)C([H])([H])N1C([H])([H])C([H])([H])N(C2=C([H])C([H])=C([H])C([H])=C2[H])C([H])([H])C1([H])[H]	7200
[H]C(=O)C1=C([H])C([H])=C([H])N1C1([H])C([H])([H])C([H])([H])N(C([H])([H])C2=C([H])C([H])=C([H])C([H])=C2[H])C([H])([H])C1([H])[H]	5800
CCCN(CCC)C1CCC(CC1)=C(C#C[Si](C)(C)C)C#C[Si](C)(C)C	3900
[H]C1=C([H])C([H])=C(C([H])=C1[H])N1C([H])([H])C([H])([H])N(C([H])([H])[C@]2([H])N=C(OC2([H])[H])C2=C([H])C([H])=C([H])C([H])=C2[H])C([H])([H])C1([H])[H]	6850
[H]C1=C([H])C([H])=C(C([H])=C1[H])N1C([H])([H])C([H])([H])N(C([H])([H])[C@]2([H])N=C(OC2([H])[H])C2=C([H])C(Br)=C([H])C([H])=C2OC([H])([H])[H])C([H])([H])C1([H])[H]	5500
[H]C1=C([H])C([H])=C(C([H])=C1[H])N1C([H])([H])C([H])([H])N(C([H])([H])[C@]2([H])N=C(O[C@]2([H])C([H])([H])[H])C2=C([H])C(Br)=C([H])C([H])=C2OC([H])([H])[H])C([H])([H])C1([H])[H]	1990
[H]N1C2=C(C([H])=C1C([H])([H])N1C([H])([H])C([H])([H])N(C3=C([H])C([H])=C(Cl)C(Cl)=C3[H])C([H])([H])C1([H])[H])C([H])=C([H])C(C#N)=C2[H]	880
[H]N1C2=C(C([H])=C1C([H])([H])N1C([H])([H])C([H])([H])N(C3=C([H])C([H])=C([H])C([H])=C3[H])C([H])([H])C1([H])[H])C([H])=C([H])C(C#N)=C2[H]	5300
[H]N1C([H])=C(C2=C1C([H])=C([H])C(C#N)=C2[H])C([H])([H])N1C([H])([H])C([H])([H])N(C2=C([H])C([H])=C([H])C([H])=C2Cl)C([H])([H])C1([H])[H]	510
[H]N1C2=C(C([H])=C1C([H])([H])N1C([H])([H])C([H])([H])N(C3=C([H])C([H])=C(Cl)C([H])=C3[H])C([H])([H])C1([H])[H])C([H])=C(C#N)C([H])=C2[H]	5300
[H]N1C([H])=C(C2=C1C([H])=C([H])C(C#N)=C2[H])C([H])([H])N1C([H])([H])C([H])([H])N(C2=C([H])C([H])=C(Cl)C([H])=C2[H])C([H])([H])C1([H])[H]	550
[H]N1C([H])=C(C2=C1C([H])=C([H])C(C#N)=C2[H])C([H])([H])N1C([H])([H])C([H])([H])N(C2=C([H])C([H])=C(Cl)C(Cl)=C2[H])C([H])([H])C1([H])[H]	450
[H]N1C2=C(C([H])=C1C([H])([H])N1C([H])([H])C([H])([H])N(C3=C([H])C([H])=C([H])C([H])=C3Cl)C([H])([H])C1([H])[H])C([H])=C([H])C(C#N)=C2[H]	1900
[H]N1C([H])=C(C2=C1C([H])=C([H])C(C#N)=C2[H])C([H])([H])N1C([H])([H])C([H])([H])N(C2=C([H])C([H])=C([H])C([H])=C2[H])C([H])([H])C1([H])[H]	3000
[H]N1C([H])=C(C2=C1C([H])=C([H])C(C#N)=C2[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]	490
[H]N1C2=C(C([H])=C1C([H])([H])N1C([H])([H])C([H])([H])N(C3=C([H])C([H])=C([H])C([H])=C3Cl)C([H])([H])C1([H])[H])C([H])=C(C#N)C([H])=C2[H]	7500
[H]N1C2=C(C([H])=C1C([H])([H])N1C([H])([H])C([H])([H])N(C3=C([H])C([H])=C(F)C([H])=C3[H])C([H])([H])C1([H])[H])C([H])=C(C#N)C([H])=C2[H]	8600
[H]C1=C2C([H])=C([H])C([H])=C([H])N2N=C1C([H])([H])N1C([H])([H])C([H])([H])N(C2=C([H])C([H])=C(Cl)C([H])=C2[H])C([H])([H])C1([H])[H]	5500
[H]C1=NN2C([H])=C(C([H])=C([H])C2=C1[H])C([H])([H])N1C([H])([H])C([H])([H])N(C2=C([H])C([H])=C(Cl)C([H])=C2[H])C([H])([H])C1([H])[H]	7500
[H]C#CC1=C([H])N([H])C(=C1[H])C([H])([H])N1C([H])([H])C([H])([H])N(C2=C([H])C([H])=C([H])C([H])=C2[H])C([H])([H])C1([H])[H]	2000
[H]N1C([H])=C([H])C([H])=C1C([H])([H])N1C([H])([H])C([H])([H])N(C2=C([H])C([H])=C([H])C([H])=C2[H])C([H])([H])C1([H])[H]	5400
[H]C1=NN2C([H])=C([H])C([H])=C(C2=C1C([H])([H])N1C([H])([H])C([H])([H])N(C2=C([H])C([H])=C(Cl)C([H])=C2[H])C([H])([H])C1([H])[H])C([H])([H])[H]	7000
[H]N1C([H])=C(C([H])=C1C([H])([H])N1C([H])([H])C([H])([H])N(C2=C([H])C([H])=C([H])C([H])=C2[H])C([H])([H])C1([H])[H])C1=C([H])C([H])=C([H])C([H])=C1[H]	2100
[H]N1C([H])=C(C#N)C([H])=C1C([H])([H])N1C([H])([H])C([H])([H])N(C2=C([H])C([H])=C([H])C([H])=C2[H])C([H])([H])C1([H])[H]	4600
[H]N1C([H])=C(C#CC2=C([H])C([H])=C([H])C([H])=C2[H])C([H])=C1C([H])([H])N1C([H])([H])C([H])([H])N(C2=C([H])C([H])=C([H])C([H])=C2[H])C([H])([H])C1([H])[H]	2700
[H]C1=NN2C(C([H])=C([H])C([H])=C2C([H])([H])[H])=C1C([H])([H])N1C([H])([H])C([H])([H])N(C2=C([H])C([H])=C(Cl)C([H])=C2[H])C([H])([H])C1([H])[H]	2200
[H]C1=C([H])C2=C(C(=NN2C(=C1[H])C1=C([H])C([H])=C(F)C([H])=C1[H])C([H])([H])[H])C([H])([H])N1C([H])([H])C([H])([H])N(C2=C([H])C([H])=C(Cl)C([H])=C2[H])C([H])([H])C1([H])[H]	1000
[H]C(=O)C1=C([H])C([H])=C([H])C2=C(C([H])=NN12)C([H])([H])N1C([H])([H])C([H])([H])N(C2=C([H])C([H])=C(Cl)C([H])=C2[H])C([H])([H])C1([H])[H]	1200
[H]C1=NN2C(C([H])=C([H])C([H])=C2N2C([H])([H])C([H])([H])N(C([H])([H])C3=C([H])C([H])=C([H])C([H])=C3[H])C([H])([H])C2([H])[H])=C1C([H])([H])N1C([H])([H])C([H])([H])N(C2=C([H])C([H])=C(Cl)C([H])=C2[H])C([H])([H])C1([H])[H]	1500
[H]C#CC1=C([H])C([H])=C([H])C2=C(C([H])=NN12)C([H])([H])N1C([H])([H])C([H])([H])N(C2=C([H])C([H])=C(Cl)C([H])=C2[H])C([H])([H])C1([H])[H]	810
C[Si](C)(C)C1=CC=CC2=C(CN3CCN(CC3)C3=CC=C(Cl)C=C3)C=NN12	7100
[H]OC([H])([H])C1=C([H])C([H])=C([H])N2N=C([H])C(=C12)C([H])([H])N1C([H])([H])C([H])([H])N(C2=C([H])C([H])=C(Cl)C([H])=C2[H])C([H])([H])C1([H])[H]	4800
[H]OC([H])([H])C1=C([H])N2N=C([H])C(=C2C([H])=C1[H])C([H])([H])N1C([H])([H])C([H])([H])N(C2=C([H])C([H])=C(Cl)C([H])=C2[H])C([H])([H])C1([H])[H]	1400
[H]C1=NN2C(C([H])=C([H])C([H])=C2C#N)=C1C([H])([H])N1C([H])([H])C([H])([H])N(C2=C([H])C([H])=C(Cl)C([H])=C2[H])C([H])([H])C1([H])[H]	2500
[H]C1=C([H])C([H])=C(C([H])=C1[H])C1=C([H])C([H])=C([H])C2=C(C(=NN12)C([H])([H])[H])C([H])([H])N1C([H])([H])C([H])([H])N(C2=C([H])C([H])=C(Cl)C([H])=C2[H])C([H])([H])C1([H])[H]	3300
[H]N1C([H])=C(C2=C([H])C([H])=C([H])N=C12)C([H])([H])N1C([H])([H])C([H])([H])N(C2=C([H])C([H])=C(Cl)C([H])=C2[H])C([H])([H])C1([H])[H]	9900
[H]C1=NN2C(C([H])=C([H])C([H])=C2C2=C([H])C([H])=C(F)C([H])=C2[H])=C1C([H])([H])N1C([H])([H])C([H])([H])N(C2=C([H])C([H])=C(Cl)C([H])=C2[H])C([H])([H])C1([H])[H]	7000
[H]C1=C([H])C([H])=C(C([H])=C1[H])C([H])([H])N1C([H])([H])C([H])([H])N(C2=C([H])C([H])=C([H])C3=C(C(=NN23)C([H])([H])[H])C([H])([H])N2C([H])([H])C([H])([H])N(C3=C([H])C([H])=C(Cl)C([H])=C3[H])C([H])([H])C2([H])[H])C([H])([H])C1([H])[H]	1500
[H]C1=NN2C(C([H])=C([H])C([H])=C2C2=C([H])C([H])=C([H])C([H])=C2[H])=C1C([H])([H])N1C([H])([H])C([H])([H])N(C2=C([H])C([H])=C(Cl)C([H])=C2[H])C([H])([H])C1([H])[H]	930
[H]C1=C([H])N2N=C3C(=C2C([H])=C1[H])C([H])([H])[C@@]([H])(N(C([H])([H])C([H])([H])C([H])([H])[H])C([H])([H])C([H])([H])C([H])([H])[H])C([H])([H])C3([H])[H]	18
[H]OC1=C([H])C([H])=C2C(=C1O[H])C([H])([H])C([H])([H])[C@]([H])(N(C([H])([H])C([H])([H])C1=C([H])C([H])=C([H])S1)C([H])([H])C([H])([H])C([H])([H])[H])C2([H])[H]	110
[H]OC1=C([H])C([H])=C2C(=C1O[H])C([H])([H])C([H])([H])[C@]([H])(N(C([H])([H])C([H])([H])C([H])([H])[H])C([H])([H])C([H])([H])C([H])([H])[H])C2([H])[H]	3
[H]OC1=C2C(=C([H])C([H])=C1[H])C([H])([H])[C@@]([H])(N(C([H])([H])C([H])([H])C1=C([H])C([H])=C([H])S1)C([H])([H])C([H])([H])C([H])([H])[H])C([H])([H])C2([H])[H]	500
[H]N(C1=C(Cl)C([H])=C(C(=O)N([H])[C@@]2([H])C([H])([H])N(C([H])([H])C3=C([H])C([H])=C([H])C([H])=C3[H])C([H])([H])[C@]2([H])C([H])([H])[H])C(OC([H])([H])[H])=C1[H])C([H])([H])[H]	5000
[H]N(C(=O)C1=C(OC([H])([H])[H])C2=C(C([H])=C([H])C([H])=C2[H])C(Br)=C1[H])[C@@]1([H])C([H])([H])N(C([H])([H])C2=C([H])C([H])=C([H])C([H])=C2[H])C([H])([H])C1([H])[H]	7300
[H]N(C1=C(Cl)C([H])=C(C(=O)N([H])[C@]2([H])C([H])([H])N(C([H])([H])C3=C([H])C([H])=C([H])C([H])=C3[H])C([H])([H])C([H])([H])C2([H])[H])C(OC([H])([H])[H])=C1[H])C([H])([H])[H]	7800
[H]N(C(=O)C1=C([H])C(C#CC2=C([H])C([H])=C([H])C([H])=C2[H])=C2C([H])=C([H])C([H])=C([H])C2=C1OC([H])([H])[H])[C@@]1([H])C([H])([H])N(C([H])([H])C2=C([H])C([H])=C([H])C([H])=C2[H])C([H])([H])C1([H])[H]	3050
[H]N(C(=O)C1=C([H])C(Br)=C2C([H])=C([H])C([H])=C([H])C2=C1OC([H])([H])[H])[C@@]1([H])C([H])([H])N(C([H])([H])C2=C([H])C([H])=C([H])C([H])=C2[H])C([H])([H])[C@]1([H])C([H])([H])[H]	4450
[H]N(C(=O)C1=C([H])C(I)=C2C([H])=C([H])C([H])=C([H])C2=C1OC([H])([H])[H])[C@@]1([H])C([H])([H])N(C([H])([H])C2=C([H])C([H])=C([H])C([H])=C2[H])C([H])([H])C1([H])[H]	4550
[H]N([H])C1=C(Cl)C([H])=C(C(=O)N([H])C2([H])C([H])([H])C([H])([H])N(C([H])([H])C3=C([H])C([H])=C([H])C([H])=C3[H])C([H])([H])C2([H])[H])C(OC([H])([H])[H])=C1[H]	6000
[H]C#CC1=C2C([H])=C([H])C([H])=C([H])C2=C(OC([H])([H])[H])C(=C1[H])C(=O)N([H])[C@@]1([H])C([H])([H])N(C([H])([H])C2=C([H])C([H])=C([H])C([H])=C2[H])C([H])([H])C1([H])[H]	4700
[H]N(C(=O)C1=C([H])C(Br)=C2C([H])=C([H])C([H])=C([H])C2=C1OC([H])([H])[H])C([H])([H])[C@@]1([H])C([H])([H])N(C([H])([H])C2=C([H])C([H])=C([H])C([H])=C2[H])C([H])([H])C1([H])[H]	2500
[H]N(C1=C(Cl)C([H])=C(C(=O)N([H])[C@@]2([H])C([H])([H])C([H])([H])N(C([H])([H])C3=C([H])C([H])=C([H])C([H])=C3[H])C([H])([H])[C@]2([H])C([H])([H])[H])C(OC([H])([H])[H])=C1[H])C([H])([H])[H]	6300
[H]N(C(=O)C1=C([H])C(Br)=C2C([H])=C([H])C([H])=C([H])C2=C1OC([H])([H])[H])C([H])([H])C([H])([H])[C@@]1([H])C([H])([H])N(C([H])([H])C2=C([H])C([H])=C([H])C([H])=C2[H])C([H])([H])C1([H])[H]	1900
[H]N(C1=C(Cl)C([H])=C(C(=O)N([H])C2([H])C([H])([H])C([H])([H])N(C([H])([H])C3=C([H])C([H])=C([H])C([H])=C3[H])C([H])([H])C2([H])[H])C(OC([H])([H])[H])=C1[H])C([H])([H])[H]	6800
[H]N1C([H])=NC2=C1C([H])=C(C([H])=C2Cl)C([H])([H])C([H])([H])N1C([H])([H])C([H])([H])N(C2=C(Cl)C([H])=C([H])C([H])=C2[H])C([H])([H])C1([H])[H]	1000
[H]N1C([H])=NC2=C1C([H])=C(C([H])=C2Cl)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]	1000
[H]N1C([H])=NC2=C1C([H])=C(C([H])=C2Cl)C([H])([H])C([H])([H])N1C([H])([H])C([H])([H])N(C2=C([H])C([H])=C([H])C([H])=C2[H])C([H])([H])C1([H])[H]	1000
[H]N1C([H])=NC2=C1C([H])=C(C([H])=C2[H])C([H])([H])C([H])([H])N1C([H])([H])C([H])([H])N(C2=C([H])C(=C([H])C([H])=C2[H])C(F)(F)F)C([H])([H])C1([H])[H]	1000
[H]N1C([H])=NC2=C1C([H])=C(C([H])=C2[H])C([H])([H])C([H])([H])N1C([H])([H])C([H])([H])N(C2=C([H])C([H])=C([H])C([H])=C2[H])C([H])([H])C1([H])[H]	1000
[H]N1C([H])=NC2=C1C([H])=C(C([H])=C2Br)C([H])([H])C([H])([H])N1C([H])([H])C([H])([H])N(C2=NC([H])=C([H])C([H])=N2)C([H])([H])C1([H])[H]	1000
[H]N1C([H])=NC2=C1C([H])=C(C([H])=C2Br)C([H])([H])C([H])([H])N1C([H])([H])C([H])([H])N(C2=C([H])C(=C([H])C([H])=C2[H])C(F)(F)F)C([H])([H])C1([H])[H]	1000
[H]N1C([H])=NC2=C1C([H])=C(C([H])=C2Br)C([H])([H])C([H])([H])N1C([H])([H])C([H])([H])N(C2=C(Cl)C([H])=C([H])C([H])=C2[H])C([H])([H])C1([H])[H]	1000
[H]N1C([H])=NC2=C1C([H])=C(C([H])=C2Br)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]	1000
[H]N1C([H])=NC2=C1C([H])=C(C([H])=C2Br)C([H])([H])C([H])([H])N1C([H])([H])C([H])([H])N(C2=C([H])C([H])=C([H])C([H])=C2[H])C([H])([H])C1([H])[H]	1000
[H]N1C([H])=NC2=C1C([H])=C(C([H])=C2Cl)C([H])([H])C([H])([H])N1C([H])([H])C([H])([H])N(C2=NC([H])=C([H])C([H])=N2)C([H])([H])C1([H])[H]	1000
[H]N1C([H])=NC2=C1C([H])=C(C([H])=C2Cl)C([H])([H])C([H])([H])N1C([H])([H])C([H])([H])N(C2=C([H])C(=C([H])C([H])=C2[H])C(F)(F)F)C([H])([H])C1([H])[H]	1000
[H]C1=NN2C([H])=C([H])C([H])=C([H])C2=C1C([H])([H])N1C([H])([H])C([H])([H])N(C2=C(Cl)C([H])=C([H])C([H])=C2[H])C([H])([H])C1([H])[H]	1200
[H]C1=NN2C([H])=C([H])C3=C(C([H])=C([H])C([H])=C3[H])C2=C1C([H])([H])N1C([H])([H])C([H])([H])N(C2=C([H])C([H])=C(Cl)C([H])=C2[H])C([H])([H])C1([H])[H]	7600
[H]N1C([H])=C(C2=C1C([H])=C([H])C([H])=C2[H])C([H])([H])N1C([H])([H])C([H])([H])N(C2=C([H])C([H])=C(Cl)C([H])=C2[H])C([H])([H])C1([H])[H]	330
[H]N(C([H])([H])C1=C([H])N([H])C(=N1)C1=C([H])C(Br)=C([H])C([H])=C1OC([H])([H])[H])C([H])([H])[C@@]1([H])C([H])([H])N(C([H])([H])C2=C([H])C([H])=C([H])C([H])=C2[H])C([H])([H])C1([H])[H]	8900
[H]N(C([H])([H])C1=C([H])OC(=N1)C1=C([H])C(Br)=C([H])C([H])=C1OC([H])([H])[H])C([H])([H])[C@@]1([H])C([H])([H])N(C([H])([H])C2=C([H])C([H])=C([H])C([H])=C2[H])C([H])([H])C1([H])[H]	3500
[H]N(C([H])([H])C1=C([H])OC(=N1)C1=C([H])C(Br)=C([H])C([H])=C1OC([H])([H])[H])[C@@]1([H])C([H])([H])N(C([H])([H])C2=C([H])C([H])=C([H])C([H])=C2[H])C([H])([H])C1([H])[H]	8000
[H]N(C([H])([H])C1=C([H])OC(=N1)C1=C([H])C(Br)=C([H])C([H])=C1OC([H])([H])[H])C([H])([H])C([H])([H])[C@@]1([H])C([H])([H])N(C([H])([H])C2=C([H])C([H])=C([H])C([H])=C2[H])C([H])([H])C1([H])[H]	8950
[H]N(C([H])([H])C1=C([H])SC(=N1)C1=C([H])C(Br)=C([H])C([H])=C1OC([H])([H])[H])C1([H])C([H])([H])C([H])([H])N(C([H])([H])C2=C([H])C([H])=C([H])C([H])=C2[H])C([H])([H])C1([H])[H]	4500
[H]N(C([H])([H])C1=C([H])SC(=N1)C1=C([H])C([H])=C([H])C([H])=C1[H])C1([H])C([H])([H])C([H])([H])N(C([H])([H])C2=C([H])C([H])=C([H])C([H])=C2[H])C([H])([H])C1([H])[H]	6800
[H]C1=C(N=C(S1)C1=C([H])C(Br)=C([H])C([H])=C1OC([H])([H])[H])C([H])([H])N1C([H])([H])C([H])([H])N(C2=C([H])C([H])=C([H])C([H])=C2[H])C([H])([H])C1([H])[H]	1250
[H]C1=C(N=C(O1)C1=C([H])C(Br)=C([H])C([H])=C1OC([H])([H])[H])C([H])([H])N(C([H])([H])[H])C([H])([H])[C@@]1([H])C([H])([H])N(C([H])([H])C2=C([H])C([H])=C([H])C([H])=C2[H])C([H])([H])C1([H])[H]	5450
[H]C1=C(N=C(S1)C1=C([H])C([H])=C([H])C([H])=C1[H])C([H])([H])N1C([H])([H])C([H])([H])N(C([H])([H])C2=C([H])C([H])=C([H])C([H])=C2[H])C([H])([H])C1([H])[H]	9200
[H]C1=C(N=C(O1)C1=C([H])C(Br)=C([H])C([H])=C1OC([H])([H])[H])C([H])([H])N1C([H])([H])C([H])([H])N(C2=C([H])C([H])=C([H])C([H])=C2[H])C([H])([H])C1([H])[H]	4850
[H]N(C([H])([H])C1=C([H])SC(=N1)C1=C([H])C(Br)=C([H])C([H])=C1OC([H])([H])[H])C([H])([H])[C@@]1([H])C([H])([H])N(C([H])([H])C2=C([H])C([H])=C([H])C([H])=C2[H])C([H])([H])C1([H])[H]	4950
[H]OC1=C(O[H])C([H])=C2C(=C1[H])C([H])([H])C([H])([H])[C@@]([H])(N([H])[H])C2([H])[H]	11
[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]	8
[H]O[C@]1(C([H])([H])C([H])([H])N2C([H])([H])[C@@]3([H])C4=C(C([H])=C([H])C([H])=C4[H])C([H])([H])C([H])([H])C4=C3C(=C([H])C([H])=C4[H])[C@]2([H])C1([H])[H])C(C([H])([H])[H])(C([H])([H])[H])C([H])([H])[H]	80
[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]	900
[H]N(C(=O)C(\[H])=C(/[H])C1=C([H])C([H])=C([H])C([H])=C1[H])C1=C(SC([H])([H])C([H])([H])C([H])([H])N(C([H])([H])[H])C([H])([H])[H])C([H])=C([H])C([H])=C1[H]	2089
[H]N1C(=O)N(C2=C([H])C([H])=C([H])C([H])=C12)C([H])([H])C([H])([H])C([H])([H])N1C([H])([H])C([H])([H])C([H])(N2C(=O)N([H])C3=C([H])C(Cl)=C([H])C([H])=C23)C([H])([H])C1([H])[H]	2037
[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]	230
[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]	920
[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]	395
[H]OC([H])([H])[C@@]([H])(N([H])C(=O)[C@]1([H])C([H])=C2C3=C([H])C([H])=C([H])C4=C3C(=C([H])N4C([H])([H])[H])C([H])([H])[C@@]2([H])N(C([H])([H])[H])C1([H])[H])C([H])([H])C([H])([H])[H]	936
[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]	1409
[H]OC([H])([H])C([H])([H])C1([H])C([H])([H])C([H])([H])N(C([H])([H])C([H])([H])C(\[H])=C2\C3=C(SC4=C2C([H])=C(C([H])=C4[H])C(F)(F)F)C([H])=C(F)C([H])=C3[H])C([H])([H])C1([H])[H]	33.645
[H]OC1=C([H])C2=C(C([H])=C1O[H])[C@@]([H])(C1=C([H])C([H])=C([H])C([H])=C1[H])C([H])([H])N([H])C([H])([H])C2([H])[H]	688.705
[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(=O)C1=C([H])C([H])=C(F)C([H])=C1[H])C([H])([H])C2([H])[H]	1400
[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]	1780
[H]N1C([H])=C(C2=C1C(=O)N(C(=N2)N1C([H])([H])C([H])([H])C([H])([H])C1([H])[H])C([H])([H])[H])C([H])([H])N1C([H])([H])C([H])([H])N(C2=C([H])C([H])=C([H])C([H])=C2[H])C([H])([H])C1([H])[H]	250
[H]N1C([H])=C(C2=C1C(=O)N(C(=N2)N1C([H])([H])C([H])([H])C([H])([H])C1([H])[H])C([H])([H])[H])C([H])([H])N1C([H])([H])C([H])([H])N(C2=C([H])C([H])=C(Cl)C(Cl)=C2[H])C([H])([H])C1([H])[H]	1500
[H]N1C([H])=C(C2=C1C(=O)N(C(=N2)N1C([H])([H])C([H])([H])C([H])([H])C1([H])[H])C([H])([H])[H])C([H])([H])N1C([H])([H])C([H])([H])N(C2=NC([H])=C([H])C([H])=C2[H])C([H])([H])C1([H])[H]	790
[H]N1C([H])=C(C2=C1C(=O)N(C(=N2)N1C([H])([H])C([H])([H])C([H])([H])C1([H])[H])C([H])([H])[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]	160
[H]N1C([H])=C(C2=C1C(=O)N(C(=N2)N1C([H])([H])C([H])([H])OC([H])([H])C1([H])[H])C([H])([H])[H])C([H])([H])N1C([H])([H])C([H])([H])N(C2=C([H])C([H])=C([H])C([H])=C2[H])C([H])([H])C1([H])[H]	520
[H]N1C2=NC(=NC([H])=C2C(=C1C([H])([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])N(C([H])([H])[H])C([H])([H])[H]	6800
[H]C1=C([H])C([H])=C(N2C([H])([H])C([H])([H])N(C([H])([H])C3=C(N=C4C([H])=C(N=C(N34)C([H])([H])[H])C([H])([H])[H])C([H])([H])[H])C([H])([H])C2([H])[H])C(OC([H])([H])[H])=C1[H]	8400
[H]C1=C([H])C(=C([H])C([H])=C1OC([H])([H])[H])N1C([H])([H])C([H])([H])N(C([H])([H])C2=C(N=C3C([H])=C(N=C(N23)C([H])([H])[H])C([H])([H])[H])C([H])([H])[H])C([H])([H])C1([H])[H]	6600
[H]N1C2=C(C([H])=C1C([H])([H])N1C([H])([H])C([H])([H])N(C3=C(OC([H])([H])[H])C([H])=C([H])C([H])=C3[H])C([H])([H])C1([H])[H])C(=O)N([H])C(=N2)N(C([H])([H])[H])C([H])([H])[H]	8400
[H]N1C([H])=C(C2=C([H])C([H])=NC(Cl)=C12)C([H])([H])N1C([H])([H])C([H])([H])N(C2=C([H])C([H])=C([H])C([H])=C2[H])C([H])([H])C1([H])[H]	6800
[H]C1=C([H])C(=C([H])C([H])=C1Cl)N1C([H])([H])C([H])([H])N(C([H])([H])C2=C(N=C3C([H])=C(N=C(N23)C([H])([H])[H])C([H])([H])[H])C([H])([H])[H])C([H])([H])C1([H])[H]	7100
[H]C1=C(Cl)C(Cl)=C([H])C(=C1[H])N1C([H])([H])C([H])([H])N(C([H])([H])C2=C(N=C3C([H])=C(N=C(N23)C([H])([H])[H])C([H])([H])[H])C([H])([H])[H])C([H])([H])C1([H])[H]	2100
[H]O[C@@]12O[C@@](N([H])C(=O)[C@]3([H])C([H])=C4C5=C6C(N([H])C([H])=C6C([H])([H])[C@@]4([H])N(C([H])([H])[H])C3([H])[H])=C([H])C([H])=C5[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]	69
[H]C1=NC(=C([H])C([H])=C1[H])N1C([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]	1700
[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(=O)C2=C([H])C([H])=C(F)C([H])=C2[H])C([H])([H])C1([H])[H]	4100
[H]OC1(C2=C([H])C([H])=C(Br)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]	600
[H]OC1=C(OC([H])([H])[H])C([H])=C([H])C2=C1C1=C3OC([H])([H])OC3=C([H])C3=C1[C@@]([H])(N(C([H])([H])[H])C([H])([H])C3([H])[H])C2([H])[H]	800
[H]\C(=C1\C2=C(SC3=C1C([H])=C(Cl)C([H])=C3[H])C([H])=C([H])C([H])=C2[H])C([H])([H])C([H])([H])N(C([H])([H])[H])C([H])([H])[H]	250
[H]OC([H])([H])C([H])([H])N1C([H])([H])C([H])([H])N(C([H])([H])C([H])([H])C(\[H])=C2\C3=C(SC4=C2C([H])=C(Cl)C([H])=C4[H])C([H])=C([H])C([H])=C3[H])C([H])([H])C1([H])[H]	5240
[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]	540
[H]OC1(C2=C([H])C(=C(Cl)C([H])=C2[H])C(F)(F)F)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]	360
[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]	1970
[H]C1=C([H])C2=C(C([H])=C1[H])C(C1=C([H])C([H])=C([H])C([H])=C1C([H])=C2[H])=C1C([H])([H])C([H])([H])N(C([H])([H])[H])C([H])([H])C1([H])[H]	1200
[H]N1C([H])=C2C3=C(C([H])=C([H])C([H])=C13)C1=C([H])[C@@]([H])(C(=O)N(C([H])([H])C([H])([H])[H])C([H])([H])C([H])([H])[H])C([H])([H])N(C([H])([H])[H])[C@]1([H])C2([H])[H]	190
[H]N([H])C(=O)[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@+]([H])(C([H])([H])[H])C1([H])[H]	180
[H]N1C(=O)N(C2=C1C([H])=C([H])C([H])=C2[H])C1=C([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]	880
[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]	740
[H]OC1=C(O[H])C([H])=C(C([H])=C1[H])C([H])([H])C([H])([H])N([H])C([H])([H])[H]	23
[H]O[C@@]12O[C@@](N([H])C(=O)[C@]3([H])C([H])=C4C5=C6C(N([H])C([H])=C6C([H])([H])[C@@]4([H])N(C([H])([H])[H])C3([H])[H])=C([H])C([H])=C5[H])(C(=O)N1[C@]([H])(C(=O)N1C([H])([H])C([H])([H])C([H])([H])[C@@]21[H])C([H])(C([H])([H])[H])C([H])([H])[H])C([H])(C([H])([H])[H])C([H])([H])[H]	36
[H]O[C@@]12O[C@@](N([H])C(=O)[C@]3([H])C([H])=C4C5=C6C(N([H])C([H])=C6C([H])([H])[C@@]4([H])N(C([H])([H])[H])C3([H])[H])=C([H])C([H])=C5[H])(C(=O)N1[C@]([H])(C(=O)N1C([H])([H])C([H])([H])C([H])([H])[C@@]21[H])C([H])([H])C1=C([H])C([H])=C([H])C([H])=C1[H])C([H])(C([H])([H])[H])C([H])([H])[H]	52
[H]N(C(=O)[C@]1([H])C([H])=C2C3=C4C(N([H])C([H])=C4C([H])([H])[C@]2([H])N(C([H])([H])[H])C1([H])[H])=C([H])C([H])=C3[H])C([H])(C([H])([H])[H])C([H])([H])[H]	61
[H]O[C@@]12O[C@@](N([H])C(=O)[C@]3([H])C([H])=C4C5=C6C(N([H])C([H])=C6C([H])([H])[C@@]4([H])N(C([H])([H])[H])C3([H])[H])=C([H])C([H])=C5[H])(C(=O)N1[C@]([H])(C(=O)N1C([H])([H])C([H])([H])C([H])([H])[C@@]21[H])C([H])([H])C1=C([H])C([H])=C([H])C([H])=C1[H])C([H])([H])[H]	30
[H]C1=C([H])C(OC([H])([H])[H])=C(C([H])=C1[H])N1C([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]	800
[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]	1400
[H]N1C(Br)=C2C3=C(C([H])=C([H])C([H])=C13)C1=C([H])[C@@]([H])(C(=O)N(C([H])([H])C([H])([H])[H])C([H])([H])C([H])([H])[H])C([H])([H])N(C([H])([H])[H])[C@]1([H])C2([H])[H]	54
[H]C1=C([H])C2=C(C([H])=C1[H])C([H])([H])[C@@]([H])(N1C([H])([H])C([H])([H])N(C([H])([H])[H])C([H])([H])C1([H])[H])C1=C([H])C(SC([H])([H])[H])=C([H])C([H])=C1S2	210
[H]OC1(C2=C([H])C([H])=C(C([H])=C2[H])C([H])([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]	1200
[H]OC1=C(O[H])C([H])=C(C([H])=C1[H])[C@@]([H])(O[H])C([H])([H])N([H])[H]	510
[H]OC1(C2=C([H])C([H])=C(Cl)C(=C2[H])C(F)(F)F)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]	1600
[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]	6050
[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]	4900
[H]C1=C([H])C2=C(C([H])=C1[H])N(C1=C([H])C([H])=C([H])C([H])=C1S2)C([H])([H])C([H])([H])C([H])([H])N(C([H])([H])[H])C([H])([H])[H]	7100
[H]OC([H])([H])C([H])([H])N1C([H])([H])C([H])([H])N(C([H])([H])C([H])([H])C([H])([H])[C@@]2([H])C3=C(SC4=C2C([H])=C(C([H])=C4[H])C(F)(F)F)C([H])=C(F)C([H])=C3[H])C([H])([H])C1([H])[H]	1900
[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]	740
[H]OC1(C2=C([H])C([H])=C([H])C(=C2[H])C(F)(F)F)C([H])([H])C([H])([H])N(C([H])([H])C1([H])[H])[C@@]([H])(F)C([H])([H])C([H])([H])C(=O)C1=C([H])C([H])=C([H])C([H])=C1[H]	740
[H]C1=C([H])C2=C(C([H])=C1[H])N(C1=C(S2)C([H])=C([H])C(=C1[H])C(F)(F)F)C([H])([H])C([H])([H])C([H])([H])N(C([H])([H])[H])C([H])([H])[H]	530
[H]C1=C([H])C([H])=C(C#CC(C#CC2=C([H])C([H])=C([H])C([H])=C2[H])=C2C([H])([H])C([H])([H])C([H])(N(C([H])([H])C([H])([H])C([H])([H])[H])C([H])([H])C([H])([H])C([H])([H])[H])C([H])([H])C2([H])[H])C([H])=C1[H]	2200
[H]C1=NN(C([H])=C1C([H])([H])N1C([H])([H])C([H])([H])N(C2=C([H])C([H])=C([H])C([H])=C2[H])C([H])([H])C1([H])[H])C1=C([H])C([H])=C([H])C([H])=C1[H]	1600
C(N1CCN(CC1)C1=CC2=CC=C1CCC1=CC=C(CC2)C=C1)C1=CN(N=C1)C1=CC=CC=C1	2600
C(N1CCN(CC1)C1=CC=CC=C1)C1=CN(N=C1)C1=CC2=CC=C1CCC1=CC=C(CC2)C=C1	1600