smile	binding.affinity
[H]C([H])([H])[C@]1([H])O[C@]([H])(C([H])([H])[N+](C([H])([H])[H])(C([H])([H])[H])C([H])([H])[H])C([H])([H])C1=O	6245
[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])C(=O)N2C3=C(N([H])C(=O)C4=C2C([H])=C([H])C([H])=C4[H])C([H])=C([H])C([H])=N3)C([H])([H])C1([H])[H])C([H])([H])[H]	4020
[H]N1C2=C(N=C([H])C([H])=C2[H])N(C(=O)C([H])([H])N2C([H])([H])C([H])([H])N(C([H])([H])C([H])([H])Cl)C([H])([H])C2([H])[H])C2=C(C([H])=C([H])C([H])=C2[H])C1=O	78
[H]N1C2=C(N=C([H])C([H])=C2[H])N(C(=O)C([H])([H])N2C([H])([H])C([H])([H])N(C([H])([H])[H])C([H])([H])C2([H])[H])C2=C(C([H])=C(SC([H])([H])[H])C([H])=C2[H])C1=O	3620
[H]N(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])N([H])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])C(=O)N2C3=C(N([H])C(=O)C4=C2C([H])=C([H])C([H])=C4[H])C([H])=C([H])C([H])=N3)C([H])([H])C1([H])[H]	3470
[H]OC([H])([H])C1=C([H])C2=C(C([H])=C1[H])C(=O)N([H])C1=C(N=C([H])C([H])=C1[H])N2C(=O)C([H])([H])N1C([H])([H])C([H])([H])N(C([H])([H])[H])C([H])([H])C1([H])[H]	4400
[H]N(C(=O)C([H])([H])[H])C([H])([H])C([H])([H])N1C([H])([H])C([H])([H])N(C([H])([H])C(=O)N2C3=C(N([H])C(=O)C4=C2C([H])=C([H])C([H])=C4[H])C([H])=C([H])C([H])=N3)C([H])([H])C1([H])[H]	970
[H]N([H])C([H])([H])C([H])([H])N1C([H])([H])C([H])([H])N(C([H])([H])C(=O)N2C3=C(N([H])C(=O)C4=C2C([H])=C([H])C([H])=C4[H])C([H])=C([H])C([H])=N3)C([H])([H])C1([H])[H]	1970
[H]N1C2=C(N=C([H])C([H])=C2[H])N(C(=O)C([H])([H])N2C([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])C2=C(C([H])=C([H])C([H])=C2[H])C1=O	240
[H]N1C2=C(N=C([H])C([H])=C2[H])N(C(=O)C([H])([H])N2C([H])([H])C([H])([H])N(C([H])([H])[H])C([H])([H])C2([H])[H])C2=C([H])C([H])=C([H])C([H])=C2C1=O	328.44725
[H]N(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])C([H])([H])C([H])([H])N1C([H])([H])C([H])([H])N(C([H])([H])C(=O)N2C3=C(N([H])C(=O)C4=C2C([H])=C([H])C([H])=C4[H])C([H])=C([H])C([H])=N3)C([H])([H])C1([H])[H]	46
[H]N(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(=O)N([H])C([H])([H])C([H])([H])N1C([H])([H])C([H])([H])N(C([H])([H])C(=O)N2C3=C(N([H])C(=O)C4=C2C([H])=C([H])C([H])=C4[H])C([H])=C([H])C([H])=N3)C([H])([H])C1([H])[H]	4100
[H]N([H])C([H])([H])C([H])([H])C(=O)N([H])C([H])([H])C([H])([H])N1C([H])([H])C([H])([H])N(C([H])([H])C(=O)N2C3=C(N([H])C(=O)C4=C2C([H])=C([H])C([H])=C4[H])C([H])=C([H])C([H])=N3)C([H])([H])C1([H])[H]	6650
[H]N([H])C([H])([H])C([H])([H])N([H])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])C(=O)N2C3=C(N([H])C(=O)C4=C2C([H])=C([H])C([H])=C4[H])C([H])=C([H])C([H])=N3)C([H])([H])C1([H])[H]	3650
[H]N(C(=O)OC(C([H])([H])[H])(C([H])([H])[H])C([H])([H])[H])C([H])([H])C([H])([H])C(=O)N([H])C([H])([H])C([H])([H])N1C([H])([H])C([H])([H])N(C([H])([H])C(=O)N2C3=C(N([H])C(=O)C4=C2C([H])=C([H])C([H])=C4[H])C([H])=C([H])C([H])=N3)C([H])([H])C1([H])[H]	6190
[H]N1C2=C(N=C([H])C([H])=C2[H])N(C(=O)C([H])([H])N2C([H])([H])C([H])([H])N(C([H])([H])C([H])([H])C([H])([H])C([H])([H])N3C(=O)C4=C(C([H])=C([H])C([H])=C4[H])C3=O)C([H])([H])C2([H])[H])C2=C(C([H])=C([H])C([H])=C2[H])C1=O	120
[H]OC([H])([H])C([H])([H])N1C([H])([H])C([H])([H])N(C([H])([H])C(=O)N2C3=C(N([H])C(=O)C4=C2C([H])=C([H])C([H])=C4[H])C([H])=C([H])C([H])=N3)C([H])([H])C1([H])[H]	9500
[H]N1C2=C([H])C([H])=C([H])N=C2N(C(=O)C([H])([H])N2C([H])([H])C([H])([H])C([H])([H])C([H])([H])[C@]2([H])C([H])([H])C([H])([H])C([H])([H])N(C([H])([H])C([H])([H])[H])C([H])([H])C([H])([H])[H])C2=C(C([H])=C([H])C([H])=C2[H])C1=O	200
[H]N1C2=C([H])C([H])=C([H])N=C2N(C(=O)C([H])([H])N2C([H])([H])C([H])([H])C([H])([H])C([H])([H])[C@]2([H])C([H])([H])N(C([H])([H])C([H])([H])[H])C([H])([H])C([H])([H])[H])C2=C(C([H])=C(C([H])=C2[H])C([H])([H])[H])C1=O	1000
[H]N1C2=C([H])C([H])=C([H])N=C2N(C(=O)C([H])([H])N2C([H])([H])C([H])([H])C([H])([H])C([H])([H])[C@]2([H])C([H])([H])N(C([H])([H])C([H])([H])[H])C([H])([H])C([H])([H])[H])C2=C(C([H])=C([H])C(=C2[H])C([H])([H])[H])C1=O	2000
[H]N1C2=C([H])C([H])=C([H])N=C2N(C(=O)C([H])([H])N2C([H])([H])C([H])([H])C([H])([H])C([H])([H])[C@]2([H])C([H])([H])N(C([H])([H])C([H])([H])[H])C([H])([H])C([H])([H])[H])C2=C(C([H])=C(C([H])=C2[H])C([H])([H])C([H])([H])[H])C1=O	2000
[H]N1C2=C([H])C([H])=C([H])N=C2N(C(=O)C([H])([H])N2C([H])([H])C([H])([H])C([H])([H])C([H])([H])[C@]2([H])C([H])([H])N(C([H])([H])[H])C([H])([H])[H])C2=C(C([H])=C([H])C([H])=C2[H])C1=O	3389.73
[H]N1C2=C([H])C([H])=C([H])N=C2N(C(=O)C([H])([H])N2C([H])([H])C([H])([H])C([H])([H])C([H])([H])[C@]2([H])C([H])([H])N(C([H])([H])[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])C2=C(C([H])=C([H])C([H])=C2[H])C1=O	1500
[H]N(C([H])([H])C([H])([H])[H])C([H])([H])[C@]1([H])N(C([H])([H])C(=O)N2C3=NC([H])=C([H])C([H])=C3N([H])C(=O)C3=C2C([H])=C([H])C([H])=C3[H])C([H])([H])C([H])([H])C([H])([H])C1([H])[H]	3000
[H]N1C2=C([H])C([H])=C([H])N=C2N(C(=O)C([H])([H])N2C([H])([H])C([H])([H])C([H])([H])C([H])([H])[C@]2([H])C([H])([H])N(C([H])([H])C([H])([H])[H])C([H])([H])C([H])([H])[H])C2=C(C([H])=C([H])C(Cl)=C2[H])C1=O	1500
[H]N1C2=C([H])C([H])=C([H])N=C2N(C(=O)C([H])([H])N2C([H])([H])C([H])([H])C([H])([H])C([H])([H])[C@]2([H])C([H])([H])N(C([H])([H])[H])C2([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C2([H])[H])C2=C(C([H])=C([H])C([H])=C2[H])C1=O	7535
[H]N1C2=C([H])C([H])=C([H])N=C2N(C(=O)C([H])([H])N2C([H])([H])C([H])([H])C([H])([H])C([H])([H])[C@]2([H])C([H])([H])N(C([H])([H])C([H])([H])[H])C([H])([H])C([H])([H])[H])C2=C(C([H])=C(Cl)C([H])=C2[H])C1=O	4000
[H]N1C2=C([H])C([H])=C([H])N=C2N(C(=O)C([H])([H])N2C([H])([H])C([H])([H])C([H])([H])C([H])([H])[C@]2([H])C([H])([H])N(C([H])([H])C([H])([H])[H])C([H])([H])C([H])([H])[H])C2=C(C([H])=C(Br)C([H])=C2[H])C1=O	4000
[H]N1C2=C([H])C([H])=C([H])N=C2N(C(=O)C([H])([H])N2C([H])([H])C([H])([H])C([H])([H])C([H])([H])[C@]2([H])C([H])([H])C([H])([H])N(C([H])([H])C([H])([H])[H])C([H])([H])C([H])([H])[H])C2=C(C([H])=C([H])C([H])=C2[H])C1=O	1000
[H]N1C2=C([H])C([H])=C([H])N=C2N(C(=O)C([H])([H])N2C([H])([H])C([H])([H])C([H])(C([H])([H])N(C([H])([H])C([H])([H])[H])C([H])([H])C([H])([H])[H])C([H])([H])C2([H])[H])C2=C(C([H])=C([H])C([H])=C2[H])C1=O	4000
[H]N1C2=C([H])C([H])=C([H])N=C2N(C(=O)C([H])([H])N2C([H])([H])C([H])([H])C([H])([H])C([H])([H])[C@]2([H])C([H])([H])N2C([H])([H])C([H])([H])OC([H])([H])C2([H])[H])C2=C(C([H])=C([H])C([H])=C2[H])C1=O	4000
[H]N1C2=C([H])C([H])=C([H])N=C2N(C(=O)C([H])([H])N2C([H])([H])C([H])([H])C([H])([H])[C@@]([H])(C([H])([H])N(C([H])([H])C([H])([H])[H])C([H])([H])C([H])([H])[H])C2([H])[H])C2=C(C([H])=C([H])C([H])=C2[H])C1=O	300
[H]N1C2=C([H])C([H])=C([H])N=C2N(C(=O)C([H])([H])N2C([H])([H])C([H])([H])C([H])([H])[C@]2([H])C([H])([H])N(C([H])([H])C([H])([H])[H])C([H])([H])C([H])([H])[H])C2=C(C([H])=C([H])C([H])=C2[H])C1=O	2000
[H]N1C2=C([H])C([H])=C([H])N=C2N(C(=O)C([H])([H])C([H])([H])N2C([H])([H])C([H])([H])C([H])([H])C([H])([H])[C@]2([H])C([H])([H])N(C([H])([H])C([H])([H])[H])C([H])([H])C([H])([H])[H])C2=C(C([H])=C([H])C([H])=C2[H])C1=O	600
[H]OC(C(=O)O[C@@]1([H])C([H])([H])[C@]2([H])N(C([H])([H])[H])C([H])([H])[C@@]([H])(C2([H])[H])C1([H])[H])(C1=C([H])C([H])=C([H])C([H])=C1[H])C1=C([H])C([H])=C([H])C([H])=C1[H]	1.1
[H]C1=C([H])C([H])=C(C([H])=C1[H])C(C(=O)O[C@@]1([H])C([H])([H])[C@]2([H])N(C([H])([H])[H])C([H])([H])[C@@]([H])(C2([H])[H])C1([H])[H])(C1=C([H])C([H])=C([H])C([H])=C1[H])C([H])([H])[H]	10.15
[H]C1=C([H])C([H])=C(C([H])=C1[H])C([H])(C(=O)O[C@@]1([H])C([H])([H])[C@]2([H])N(C([H])([H])[H])C([H])([H])[C@@]([H])(C2([H])[H])C1([H])[H])C1=C([H])C([H])=C([H])C([H])=C1[H]	7.65
[H]OC([H])([H])[C@@]([H])(C(=O)O[C@@]1([H])C([H])([H])[C@@]2([H])N(C(=N[H])N([H])[H])[C@]([H])(C([H])([H])C2([H])[H])C1([H])[H])C1=C([H])C([H])=C([H])C([H])=C1[H]	2.5
[H]OC([H])([H])[C@@]([H])(C(=O)O[C@@]1([H])C([H])([H])[C@]2([H])N(C([H])=N[H])[C@]([H])(C1([H])[H])[C@@]1([H])O[C@@]21[H])C1=C([H])C([H])=C([H])C([H])=C1[H]	5
[H]OC([H])([H])[C@@]([H])(C(=O)O[C@]1([H])C([H])([H])[C@@]2([H])[C@@]3([H])O[C@@]3([H])[C@@]([H])(C1([H])[H])[N@+]2(C([H])([H])[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])C1=C([H])C([H])=C([H])C([H])=C1[H]	0.4325
[H]OC([H])([H])[C@@]([H])(C(=O)O[C@@]1([H])C([H])([H])[C@]2([H])N(C(=N[H])C([H])([H])[H])[C@]([H])(C1([H])[H])[C@@]1([H])O[C@@]21[H])C1=C([H])C([H])=C([H])C([H])=C1[H]	3.5
[H]OC([H])([H])[C@@]([H])(C(=O)O[C@@]1([H])C([H])([H])[C@@]2([H])N(C([H])=N[H])[C@]([H])(C([H])([H])C2([H])[H])C1([H])[H])C1=C([H])C([H])=C([H])C([H])=C1[H]	1.4
[H]OC([H])([H])[C@@]([H])(C(=O)O[C@@]1([H])C([H])([H])[C@@]2([H])N(C(=N[H])C([H])([H])[H])[C@]([H])(C([H])([H])C2([H])[H])C1([H])[H])C1=C([H])C([H])=C([H])C([H])=C1[H]	3.1
[H]OC([H])([H])[C@@]([H])(C(=O)O[C@@]1([H])C([H])([H])[C@]2([H])N(C(=N[H])N([H])[H])[C@]([H])(C1([H])[H])[C@@]1([H])O[C@@]21[H])C1=C([H])C([H])=C([H])C([H])=C1[H]	4.5
[H]OC([H])([H])[C@@]([H])(C(=O)O[C@]1([H])C([H])([H])[C@]2([H])C([H])([H])C([H])([H])[C@]([H])(C1([H])[H])[N+]2(C([H])([H])[H])C([H])([H])[H])C1=C([H])C([H])=C([H])C([H])=C1[H]	1.65
[H]OC([H])([H])C([H])([H])[N+]1(C([H])([H])C1([H])[H])C1([H])C([H])([H])C1([H])[H]	6250
[H]C1=C([H])C([H])=C(C([H])=C1[H])C([H])([H])N1C([H])([H])[C@@]2([H])C([H])([H])[C@]1([H])C([H])([H])[C@]([H])(OC(=O)C(C1=C([H])C([H])=C([H])C([H])=C1[H])(C1=C([H])C([H])=C([H])C([H])=C1[H])C([H])([H])[H])C2([H])[H]	13
[H]C1=C2C(ON=C2C2([H])C([H])([H])C([H])([H])N(C([H])([H])C([H])([H])C([H])([H])OC3=C([H])C([H])=C(C([H])=C3OC([H])([H])[H])C(=O)C([H])([H])[H])C([H])([H])C2([H])[H])=C([H])C(F)=C1[H]	1000
[H]C([H])([H])C(=O)O[C@@]([H])(C([H])([H])[H])C([H])([H])[N+](C([H])([H])[H])(C([H])([H])[H])C([H])([H])[H]	120
[H]C1=C(C(=O)OC([H])([H])[H])C([H])([H])N(C([H])([H])[H])C([H])([H])C1([H])[H]	5700
[H]N1C([H])([H])C([H])([H])O[C@@]([H])(C([H])([H])OC2=C3OC([H])([H])C(=C([H])C3=C([H])C([H])=C2[H])C([H])([H])N2C([H])([H])C([H])([H])OC([H])([H])C2([H])[H])C1([H])[H]	1000
[H]N1[C@@]2([H])C([H])([H])[C@@]([H])(OC(=O)C([H])([H])[H])[C@]1([H])C([H])([H])C([H])([H])C2([H])[H]	341.8
[H]N([H])C(=O)OC([H])([H])C([H])([H])[N+](C([H])([H])[H])(C([H])([H])[H])C([H])([H])[H]	5240
[H]N(C([H])([H])C1=C([H])C([H])=C([H])C([H])=C1OC([H])([H])[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])N([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])N([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])N([H])C([H])([H])C1=C([H])C([H])=C([H])C([H])=C1OC([H])([H])[H]	1096.48
[H]N1C2=C(N=C([H])C([H])=C2[H])N(C(=S)C([H])([H])[C@]2([H])C([H])([H])C([H])([H])C([H])([H])N3C([H])([H])C([H])([H])C([H])([H])C([H])([H])[C@@]23[H])C2=C(C([H])=C([H])C([H])=C2[H])C1=O	760
[H]N(C([H])([H])C(=O)N1C2=NC([H])=C([H])C([H])=C2N([H])C(=O)C2=C1C([H])=C([H])C([H])=C2[H])C([H])([H])[C@]1([H])C([H])([H])C([H])([H])C([H])([H])N2C([H])([H])C([H])([H])C([H])([H])C([H])([H])[C@@]12[H]	800
[H]N(C(=O)C([H])([H])[C@]1([H])C([H])([H])C([H])([H])C([H])([H])N2C([H])([H])C([H])([H])C([H])([H])C([H])([H])[C@]12[H])C1=C([H])C([H])=C(C([H])=C1C([H])([H])[H])C(=O)C1=C([H])C([H])=C([H])C([H])=C1[H]	1300
[H]N1C2=C([H])C([H])=C([H])N=C2N(C(=O)C([H])([H])SC([H])([H])[C@]2([H])C([H])([H])C([H])([H])C([H])([H])N3C([H])([H])C([H])([H])C([H])([H])C([H])([H])[C@@]23[H])C2=C(C([H])=C([H])C([H])=C2[H])C1=O	760
[H]C1=C([H])C2=C(C([H])=C1[H])[C@@]([H])(N(C(=O)O[C@@]1([H])C([H])([H])[N@]3C([H])([H])C([H])([H])[C@]1([H])C([H])([H])C3([H])[H])C([H])([H])C2([H])[H])C1([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C1([H])[H]	34.85
[H]C1=C([H])C([H])=C(C([H])=C1[H])[C@]1([H])N(C(=O)O[C@@]2([H])C([H])([H])[N@]3C([H])([H])C([H])([H])[C@]2([H])C([H])([H])C3([H])[H])C([H])([H])C2=C1C([H])=C([H])C([H])=C2[H]	28
[H]C1=C([H])C([H])=C(C([H])=C1[H])[C@]1([H])C2=C(C([H])=C([H])C([H])=C2[H])C([H])([H])N(C(=O)O[C@@]2([H])C([H])([H])[N@]3C([H])([H])C([H])([H])[C@]2([H])C([H])([H])C3([H])[H])C1([H])[H]	1000
[H]C1=C([H])C([H])=C(C([H])=C1[H])N1C2=C(C([H])=C([H])C([H])=C2[H])C([H])([H])C([H])([H])[C@@]1([H])C(=O)O[C@@]1([H])C([H])([H])[N@]2C([H])([H])C([H])([H])[C@]1([H])C([H])([H])C2([H])[H]	26
[H]C1=C([H])C([H])=C(C([H])=C1[H])[C@]1([H])N(C(=O)O[C@@]2([H])C([H])([H])[N@]3C([H])([H])C([H])([H])[C@]2([H])C([H])([H])C3([H])[H])C([H])([H])C([H])([H])C2=C([H])C([H])=C([H])C([H])=C12	10
[H]O[C@]1([H])C2=C(C([H])=C([H])C([H])=C2[H])[C@@]([H])(N(C(=O)O[C@@]2([H])C([H])([H])[N@]3C([H])([H])C([H])([H])[C@]2([H])C([H])([H])C3([H])[H])C1([H])[H])C1=C([H])C([H])=C([H])C([H])=C1[H]	92.5
[H]C1=C([H])C(=C([H])S1)[C@]1([H])N(C(=O)O[C@@]2([H])C([H])([H])[N@]3C([H])([H])C([H])([H])[C@]2([H])C([H])([H])C3([H])[H])C([H])([H])C([H])([H])C2=C1C([H])=C([H])C([H])=C2[H]	12.25
[H]C1=C([H])C([H])=C(C([H])=C1[H])C([H])([H])[C@]1([H])N(C(=O)O[C@@]2([H])C([H])([H])[N@]3C([H])([H])C([H])([H])[C@]2([H])C([H])([H])C3([H])[H])C([H])([H])C([H])([H])C2=C1C([H])=C([H])C([H])=C2[H]	92.5
[H]O[C@](C(=O)OC([H])([H])C#CC([H])([H])N(C([H])([H])C([H])([H])[H])C([H])([H])C([H])([H])[H])(C1=C([H])C([H])=C([H])C([H])=C1[H])C1([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C1([H])[H]	0.95
[H]C1=C([H])C([H])=C(S1)[C@]1([H])N(C(=O)O[C@@]2([H])C([H])([H])[N@]3C([H])([H])C([H])([H])[C@]2([H])C([H])([H])C3([H])[H])C([H])([H])C([H])([H])C2=C1C([H])=C([H])C([H])=C2[H]	10.8
[H]N(C(=O)O[C@]1([H])C([H])([H])[N@]2C([H])([H])C([H])([H])[C@]1([H])C([H])([H])C2([H])[H])C([H])(C1=C([H])C([H])=C([H])C([H])=C1[H])C1=C([H])C([H])=C([H])C([H])=C1[H]	2
[H]OC(C(=O)OC([H])([H])C#CC([H])([H])N1C([H])([H])[C@]2([H])C([H])([H])[C@]2([H])C1([H])[H])(C1=C([H])C([H])=C([H])C([H])=C1[H])C1=C([H])C([H])=C([H])C([H])=C1[H]	14
[H]OC(C(=O)N([H])C([H])([H])C#CC([H])([H])N1C([H])([H])[C@]2([H])C([H])([H])[C@]2([H])C1([H])[H])(C1=C([H])C([H])=C(F)C([H])=C1[H])C1=C([H])C([H])=C(F)C([H])=C1[H]	366
[H]OC1=C([H])C([H])=C(C([H])=C1[C@@]([H])(C1=C([H])C([H])=C([H])C([H])=C1[H])C([H])([H])C([H])([H])N(C([H])(C([H])([H])[H])C([H])([H])[H])C([H])(C([H])([H])[H])C([H])([H])[H])C([H])([H])[H]	7.07
[H]O[C@](C(=O)OC([H])([H])C#CC([H])([H])N1C([H])([H])[C@]2([H])C([H])([H])[C@]2([H])C1([H])[H])(C1=C([H])C([H])=C(OC([H])([H])[H])C([H])=C1[H])C1([H])C([H])([H])C([H])([H])C([H])([H])C1([H])[H]	964
[H]OC(C(=O)OC([H])([H])C#CC([H])([H])N1C([H])([H])[C@]2([H])C([H])([H])[C@]2([H])C1([H])[H])(C1=C([H])C([H])=C(F)C([H])=C1[H])C1=C([H])C([H])=C(F)C([H])=C1[H]	39
[H]OC1=C([H])C([H])=C(C([H])=C1[C@@]([H])(C1=C([H])C([H])=C([H])C([H])=C1[H])C([H])([H])C([H])([H])N1C([H])([H])[C@@]2([H])C([H])([H])[C@@]2([H])[C@@]1([H])C([H])([H])[H])C([H])([H])[H]	52
[H]O[C@](C(=O)OC([H])([H])C#CC([H])([H])N1C([H])([H])[C@]2([H])C([H])([H])[C@]2([H])C1([H])[H])(C1=C([H])C([H])=C([H])C([H])=C1[H])C1([H])C([H])([H])C([H])([H])C([H])([H])C1([H])[H]	68.5
[H]OC1=C([H])C([H])=C(C([H])=C1[C@@]([H])(C1=C([H])C([H])=C([H])C([H])=C1[H])C([H])([H])C([H])([H])N1C([H])([H])[C@]2([H])C([H])([H])[C@]2([H])C1([H])[H])C([H])([H])[H]	118
[H]C1=C([H])C([H])=C(C([H])=C1[H])C([H])([H])OC1=C([H])C([H])=C(C([H])=C1[C@@]([H])(C1=C([H])C([H])=C([H])C([H])=C1[H])C([H])([H])C([H])([H])N1C([H])([H])[C@@]2([H])C([H])([H])[C@@]2([H])[C@@]1([H])C([H])([H])[H])C([H])([H])[H]	1000
[H]OC(C(=O)N([H])C([H])([H])C#CC([H])([H])N1C([H])([H])[C@]2([H])C([H])([H])[C@]2([H])C1([H])[H])(C1=C([H])C([H])=C([H])C([H])=C1[H])C1=C([H])C([H])=C([H])C([H])=C1[H]	291
[H]O[C@](C(=O)N([H])C([H])([H])C#CC([H])([H])N1C([H])([H])[C@]2([H])C([H])([H])[C@]2([H])C1([H])[H])(C1=C([H])C([H])=C([H])C([H])=C1[H])C1([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C1([H])[H]	2605
[H]C1=C([H])C([H])=C(C([H])=C1[H])C([H])([H])OC1=C([H])C([H])=C(C([H])=C1[C@@]([H])(C1=C([H])C([H])=C([H])C([H])=C1[H])C([H])([H])C([H])([H])N1C([H])([H])[C@]2([H])C([H])([H])[C@]2([H])C1([H])[H])C([H])([H])[H]	5500
[H]O[C@@](C(=O)N([H])[C@@]1([H])[C@]2([H])C([H])([H])N(C([H])([H])C([H])([H])C3=C([H])C([H])=C(C(=C3[H])C([H])([H])[H])C([H])([H])[H])C([H])([H])[C@]12[H])(C1=C([H])C([H])=C([H])C([H])=C1[H])C1([H])C([H])([H])C([H])([H])C([H])([H])C1([H])[H]	43.6
[H]O[C@@](C(=O)N([H])[C@@]1([H])[C@]2([H])C([H])([H])N(C([H])([H])C3=C([H])C([H])=C4C([H])=C([H])C([H])=C([H])C4=C3[H])C([H])([H])[C@]12[H])(C1=C([H])C([H])=C([H])C([H])=C1[H])C1([H])C([H])([H])C([H])([H])C([H])([H])C1([H])[H]	42
[H]O[C@@](C(=O)N([H])[C@@]1([H])[C@]2([H])C([H])([H])N(C([H])([H])[C@]12[H])[C@@]([H])(C1=C([H])C([H])=C([H])C([H])=C1[H])C([H])([H])[H])(C1=C([H])C([H])=C([H])C([H])=C1[H])C1([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C1([H])[H]	15.95
[H]O[C@@](C(=O)N([H])[C@@]1([H])[C@]2([H])C([H])([H])N(C([H])([H])C([H])([H])C([H])=C(C([H])([H])[H])C([H])([H])[H])C([H])([H])[C@]12[H])(C1=C([H])C([H])=C([H])C([H])=C1[H])C1([H])C([H])([H])C([H])([H])C([H])([H])C1([H])[H]	33
[H]N([H])C(=O)C(C1=C([H])C([H])=C([H])C([H])=C1[H])(C1=C([H])C([H])=C([H])C([H])=C1[H])[C@@]1([H])C([H])([H])N(C([H])([H])C([H])([H])C2=C([H])C([H])=C3OC([H])([H])C([H])([H])C3=C2[H])C([H])([H])C1([H])[H]	2
[H]O[C@@](C(=O)N([H])[C@@]1([H])[C@]2([H])C([H])([H])N(C([H])([H])C([H])([H])C3=C([H])C([H])=C4OC([H])([H])OC4=C3[H])C([H])([H])[C@]12[H])(C1=C([H])C([H])=C([H])C([H])=C1[H])C1([H])C([H])([H])C([H])([H])C([H])([H])C1([H])[H]	16.15
[H]O[C@@](C(=O)N([H])[C@@]1([H])[C@]2([H])C([H])([H])N(C([H])([H])C([H])([H])C3=C([H])C([H])=C(Cl)C([H])=C3[H])C([H])([H])[C@]12[H])(C1=C([H])C([H])=C([H])C([H])=C1[H])C1([H])C([H])([H])C([H])([H])C([H])([H])C1([H])[H]	31.3
[H]O[C@@](C(=O)N([H])[C@@]1([H])[C@]2([H])C([H])([H])N(C([H])([H])C([H])([H])C3=C([H])C([H])=C([H])C([H])=C3[H])C([H])([H])[C@]12[H])(C1=C([H])C([H])=C([H])C([H])=C1[H])C1([H])C([H])([H])C([H])([H])C([H])([H])C1([H])[H]	9.3
[H]O[C@@](C(=O)N([H])[C@@]1([H])[C@]2([H])C([H])([H])N(C([H])([H])[C@]12[H])[C@@]([H])(C1=C([H])C([H])=C(C([H])=C1[H])C([H])([H])[H])C([H])([H])[H])(C1=C([H])C([H])=C([H])C([H])=C1[H])C1([H])C([H])([H])C([H])([H])C([H])([H])C1([H])[H]	58.9
[H]O[C@@](C(=O)N([H])[C@@]1([H])[C@]2([H])C([H])([H])N(C([H])([H])C([H])([H])C3=C([H])C([H])=C(C([H])=C3[H])C(=O)OC([H])([H])[H])C([H])([H])[C@]12[H])(C1=C([H])C([H])=C([H])C([H])=C1[H])C1([H])C([H])([H])C([H])([H])C([H])([H])C1([H])[H]	43.6
[H]O[C@]([H])(C(=O)N([H])[C@@]1([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@]12[H])C1=C([H])C([H])=C([H])C([H])=C1[H]	1000
[H]O[C@@](C(=O)N([H])[C@@]1([H])[C@]2([H])C([H])([H])N(C([H])([H])C([H])([H])C([H])([H])C3=C([H])C([H])=C([H])C([H])=C3[H])C([H])([H])[C@]12[H])(C1=C([H])C([H])=C([H])C([H])=C1[H])C1([H])C([H])([H])C([H])([H])C([H])([H])C1([H])[H]	776
[H]O[C@@](C(=O)N([H])[C@@]1([H])[C@]2([H])C([H])([H])N(C([H])([H])C3=C([H])C([H])=C([H])S3)C([H])([H])[C@]12[H])(C1=C([H])C([H])=C([H])C([H])=C1[H])C1([H])C([H])([H])C([H])([H])C([H])([H])C1([H])[H]	524
[H]C1=C([H])C([H])=C(C([H])=C1[H])C([H])(C(=O)OC1([H])C([H])([H])C([H])([H])[N+](C([H])([H])[H])(C([H])([H])[H])C([H])([H])C1([H])[H])C1=C([H])C([H])=C([H])C([H])=C1[H]	1.7
[H]\C(=C(\[H])[C@@]1([H])[C@]2([H])[C@]([H])(OC(=O)[C@@]2([H])C([H])([H])[C@@]2([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[C@]12[H])C([H])([H])[H])[C@@]1([H])N(C([H])([H])[H])[C@@]([H])(C([H])([H])[H])C([H])([H])C([H])([H])C1([H])[H]	125.89
[H]OC(=O)[C@]1([H])O[C@@]([H])(O[C@]2([H])[C@]([H])(O[C@]([H])(O[C@]3([H])[C@]([H])(O[C@@]([H])(O[C@@]4([H])[C@]([H])(O[H])[C@@]([H])(N([H])C(=O)C([H])([H])[H])C([H])([H])O[C@]4([H])C([H])([H])OS(=O)(=O)O[H])[C@]([H])(OS(=O)(=O)O[H])[C@@]3([H])O[H])C(=O)O[H])[C@]([H])(N([H])S(=O)(=O)O[H])[C@@]2([H])OS(=O)(=O)O[H])C([H])([H])O[H])[C@]([H])(OS(=O)(=O)O[H])[C@@]([H])(O[H])[C@]1([H])O[H]	6.31
[H]N([H])C(=N/C([H])([H])C1=C([H])C([H])=C([H])C([H])=C1[H])\N([H])C(=O)C1=C(N=C(N([H])[H])C(Cl)=N1)N([H])[H]	2800
[H]N([H])C(=NC(=O)C1=C(N=C(N2C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C2([H])[H])C(Cl)=N1)N([H])[H])N([H])[H]	4700
O[Si](CCCN1CCCCC1)(C1CCCCC1)C1=CC=CC=C1	26.99
[H]C1=C([H])C([H])=C(C([H])=C1[H])C(C(=O)OC([H])([H])C([H])([H])N(C([H])([H])C([H])([H])[H])C([H])([H])C([H])([H])[H])(C1=C([H])C([H])=C([H])C([H])=C1[H])C([H])([H])[H]	3.39
[H]O[C@@](C1=C([H])C([H])=C([H])C([H])=C1[H])(C([H])([H])C([H])([H])N1C([H])([H])C([H])([H])C([H])([H])C([H])([H])C1([H])[H])C1([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C1([H])[H]	5.095
[H]C1=C([H])C([H])=C(C([H])=C1[H])C([H])(O[C@@]1([H])C([H])([H])[C@@]2([H])N(C([H])([H])[H])[C@]([H])(C([H])([H])C2([H])[H])C1([H])[H])C1=C([H])C([H])=C([H])C([H])=C1[H]	0.71
[H]O[C@@](C1=C([H])C([H])=C([H])C([H])=C1[H])(C([H])([H])C([H])([H])N1C([H])([H])C([H])([H])C([H])([H])C([H])([H])C1([H])[H])[C@]1([H])C([H])([H])[C@@]2([H])C([H])=C([H])[C@]1([H])C2([H])[H]	1.86
[H]C1=C([H])C([H])=C2C(=C1[H])N(C(=O)SC([H])([H])C([H])([H])N(C([H])([H])[H])C([H])([H])[H])C1=C([H])C([H])=C([H])C([H])=C1C2(C([H])([H])[H])C([H])([H])[H]	16.6
[H]N1C2=C([H])C([H])=C([H])C([H])=C2S[C@@]([H])(C2=C([H])C([H])=C([H])C([H])=C2[H])[C@]([H])(C1=O)C([H])([H])N1C([H])([H])C([H])([H])N(C([H])([H])[H])C([H])([H])C1([H])[H]	0.87
[H]OC1(C([H])([H])C([H])([H])C([H])([H])C1([H])[H])[C@]([H])(C(=O)OC([H])([H])C([H])([H])N(C([H])([H])[H])C([H])([H])[H])C1=C([H])C([H])=C([H])C([H])=C1[H]	2.63
CCN(CC)CC#CCC(=O)C(C1=CC=CC=C1)c1ccccc1	10
[H]C([H])([H])C([H])([H])N(C([H])([H])C([H])([H])[H])C([H])([H])C([H])([H])OC(=O)C1(C([H])([H])C([H])([H])C([H])([H])C([H])([H])C1([H])[H])C1([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C1([H])[H]	1.78
[H]O[C@@]([H])(C(=O)O[C@@]1([H])C([H])([H])[C@@]([H])(N(C([H])([H])[H])C(C([H])([H])[H])(C([H])([H])[H])C1([H])[H])C([H])([H])[H])C1=C([H])C([H])=C([H])C([H])=C1[H]	436.52
[H]O[C@@]([H])(C(=O)O[C@@]1([H])C([H])([H])[C@@]2([H])N(C([H])([H])[H])[C@]([H])(C([H])([H])C2([H])[H])C1([H])[H])C1=C([H])C([H])=C([H])C([H])=C1[H]	58.88
[H]C1=C([H])C([H])=C(C([H])=C1[H])[C@]([H])(OC([H])([H])C([H])([H])N(C([H])([H])[H])C([H])([H])[H])C1=C([H])C([H])=C([H])C([H])=C1C([H])([H])[H]	97.72
[H]C1=C([H])C([H])=C(C([H])=C1[H])C([H])(C(=O)O[C@@]1([H])C([H])([H])N(C([H])([H])C([H])([H])[H])C([H])([H])C([H])([H])C1([H])[H])C1=C([H])C([H])=C([H])C([H])=C1[H]	154.88
[H]OC(C(=O)OC([H])([H])C([H])([H])N(C([H])([H])C([H])([H])Cl)C([H])([H])C([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])=C1[H]	8.13
[H]C1=C([H])C(=C([H])C([H])=C1OC([H])([H])[H])C([H])([H])[C@@]([H])(N(C([H])([H])C([H])([H])[H])C([H])([H])C([H])([H])C([H])([H])C(=O)C1([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C1([H])[H])C([H])([H])[H]	5.25
[H]N1C2=C([H])C([H])=C([H])C([H])=C2N(C(=O)C([H])([H])N2C([H])([H])C([H])([H])N(C([H])([H])[H])C([H])([H])C2([H])[H])C2=C(SC([H])=C2C1=O)C([H])([H])[H]	7.59
[H]OC([H])([H])[C@]([H])(C(=O)N(C([H])([H])C1=C([H])C([H])=NC([H])=C1[H])C([H])([H])C([H])([H])[H])C1=C([H])C([H])=C([H])C([H])=C1[H]	38.02
[H]N1C2=C(N=C([H])C([H])=C2[H])N(C(=O)C([H])([H])N2C([H])([H])C([H])([H])C([H])(C([H])([H])C([H])([H])C([H])([H])C([H])([H])N(C([H])([H])C([H])([H])[H])C([H])([H])C([H])([H])[H])C([H])([H])C2([H])[H])C2=C([H])C([H])=C([H])C([H])=C2C1=O	158.49
[H]N(C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])N(C([H])([H])[H])C([H])([H])N1C2=C(N([H])C(=O)C3=C([H])C([H])=C([H])C([H])=C13)C([H])=C([H])C([H])=N2)C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])N([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])N(C([H])([H])N1C2=C(N([H])C(=O)C3=C([H])C([H])=C([H])C([H])=C13)C([H])=C([H])C([H])=N2)C([H])([H])N1C2=C(N([H])C(=O)C3=C([H])C([H])=C([H])C([H])=C13)C([H])=C([H])C([H])=N2	645.659
[H]C([H])([H])C(=O)OC([H])([H])C([H])([H])[N+](C([H])([H])[H])(C([H])([H])[H])C([H])([H])[H]	2400
[H]O[C@]([H])(C([H])([H])C([H])([H])C([H])([H])[C@@]([H])(C([H])([H])[H])[C@]1([H])C([H])([H])C([H])([H])[C@]2([H])[C@]3([H])C([H])([H])C([H])([H])[C@@]4([H])C([H])([H])[C@]([H])(O[H])C([H])([H])C([H])([H])[C@]4(C([H])([H])[H])[C@@]3([H])C([H])([H])C([H])([H])[C@]12C([H])([H])[H])C([H])([H])[N+](C([H])([H])[H])(C([H])([H])[H])C([H])([H])[H]	1000
[H]C([H])([H])C(=O)O[C@]1([H])C([H])([H])[N@]2C([H])([H])C([H])([H])[C@]1([H])C([H])([H])C2([H])[H]	5011.25
[H]C([H])([H])[N+](C([H])([H])[H])(C([H])([H])[H])C([H])([H])C#CC([H])([H])N1C(=O)C([H])([H])C([H])([H])C1([H])[H]	8700
[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]	14
[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]	1600
[H]N1C2=C([H])C([H])=C([H])C([H])=C2N=C2SC(=C([H])C2=C1N1C([H])([H])C([H])([H])N(C([H])([H])[H])C([H])([H])C1([H])[H])C([H])([H])[H]	25
[H]OC([H])([H])C([H])([H])OC([H])([H])C([H])([H])N1C([H])([H])C([H])([H])N(C2=NC3=C([H])C([H])=C([H])C([H])=C3SC3=C2C([H])=C([H])C([H])=C3[H])C([H])([H])C1([H])[H]	1320
[H]N(C([H])([H])C(=O)N1C2=C(N([H])C(=O)C3=C([H])C([H])=C([H])C([H])=C13)C([H])=C([H])C([H])=N2)C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])N(C([H])([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])N(C([H])([H])[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])N(C([H])([H])C(=O)N1C2=C(N([H])C(=O)C3=C([H])C([H])=C([H])C([H])=C13)C([H])=C([H])C([H])=N2)C([H])([H])C(=O)N1C2=C(N([H])C(=O)C3=C([H])C([H])=C([H])C([H])=C13)C([H])=C([H])C([H])=N2	200
[H]C([H])([H])N(C(=O)C([H])([H])[H])C([H])([H])C#CC([H])([H])N1C([H])([H])C([H])([H])C([H])([H])C1([H])[H]	4500
[H]N([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C(=O)N(C([H])([H])[H])C([H])([H])C#CC([H])([H])N1C([H])([H])C([H])([H])C([H])([H])C1([H])[H]	1900
[H]C([H])([H])N(C(=O)C([H])([H])[H])[C@]([H])(C#CC([H])([H])N1C([H])([H])C([H])([H])C([H])([H])C1([H])[H])C([H])([H])[H]	580
[H]N(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])C([H])([H])C([H])([H])C(=O)N(C([H])([H])[H])C([H])([H])C#CC([H])([H])N1C([H])([H])C([H])([H])C([H])([H])C1([H])[H]	2550
[H]N1C([H])=NC(=C1C([H])([H])[H])C([H])([H])C1=NC(=C([H])S1)C1=C([H])C([H])=C([H])C([H])=C1[H]	1000