smile	binding.affinity
[H]N(C(=O)C([H])([H])C([H])([H])C(=O)OC([H])([H])[H])[C@]([H])(C(=O)N([H])[C@]([H])(C(=O)N1C([H])([H])C([H])([H])C([H])([H])[C@@]1([H])C(=O)N([H])[C@]([H])(C(=O)C(=O)OC([H])([H])[H])C([H])([H])C1=C([H])C([H])=C([H])C([H])=C1[H])C([H])([H])[H])C([H])([H])[H]	3600
[H]N(C(=O)C([H])([H])C([H])([H])C(=O)OC([H])([H])[H])[C@]([H])(C(=O)N1C([H])([H])C([H])([H])C([H])([H])[C@@]1([H])C(=O)N([H])[C@]([H])(C(=O)C(F)(F)F)C([H])([H])C1=C([H])C([H])=C([H])C([H])=C1[H])C([H])(C([H])([H])[H])C([H])([H])[H]	1600
[H]N(C(=O)C([H])([H])C([H])([H])C(=O)OC([H])([H])[H])[C@]([H])(C(=O)N([H])[C@]([H])(C(=O)N1C([H])([H])C([H])([H])C([H])([H])[C@@]1([H])C(=O)N([H])[C@]([H])(C(=O)C(F)(F)F)C([H])([H])C1=C([H])C([H])=C([H])C([H])=C1[H])C([H])([H])[H])C([H])([H])[H]	9300
[H]N(C(=O)C([H])([H])C([H])([H])C(=O)OC([H])([H])[H])[C@]([H])(C(=O)N1C([H])([H])C([H])([H])C([H])([H])[C@@]1([H])C(=O)N([H])[C@]([H])(C(=O)C(=O)OC([H])([H])[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]	1100
CCCCCC(NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC1=CC=CC=C1)NC(=O)OCC1=CC=CC=C1)B1O[C@@H]2CC3CC(C3(C)C)[C@]2(C)O1	3.74
COCCCC(NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)OCC1=CC=CC=C1)C(C1=CC=CC=C1)C1=CC=CC=C1)B1O[C@@H]2CC3CC(C3(C)C)[C@]2(C)O1	25.3
CC1(C)C2CC1[C@]1(C)OB(O[C@@H]1C2)C(CC1=CC=CC=C1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC1=CC=CC=C1)NC(=O)OCC1=CC=CC=C1	0.187
[Br-].CC1(C)C2CC1[C@]1(C)OB(O[C@@H]1C2)C(CCC\C(S)=N\N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC1=CC=CC=C1)NC(=O)OCC1=CC=CC=C1	0.437
CCC(C)(C)C(NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC1=CC=CC=C1)NC(=O)OCC1=CC=CC=C1)B1O[C@@H]2CC3CC(C3(C)C)[C@]2(C)O1	0.916
CC1(C)C2CC1[C@]1(C)OB(O[C@@H]1C2)C(CC1=CC=CC=C1)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)OCC1=CC=CC=C1)C(C1=CC=CC=C1)C1=CC=CC=C1	0.174
COCCCC(NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC1=CC=CC=C1)NC(=O)OCC1=CC=CC=C1)B1O[C@@H]2CC3CC(C3(C)C)[C@]2(C)O1	3.9
CCCCCC(NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)OCC1=CC=CC=C1)C(C1=CC=CC=C1)C1=CC=CC=C1)B1O[C@@H]2CC3CC(C3(C)C)[C@]2(C)O1	14.3
CCC(C)(C)C(NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC1=CC=C2C=CC=CC2=C1)NC(=O)OCC1=CC=CC=C1)B1O[C@@H]2CC3CC(C3(C)C)[C@]2(C)O1	3.85
CCC(C)(C)C(NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)OCC1=CC=CC=C1)C(C1=CC=CC=C1)C1=CC=CC=C1)B1O[C@@H]2CC3CC(C3(C)C)[C@]2(C)O1	44.1
[H]C1=C([H])C([H])=C(C([H])=C1[H])N1C(=O)N(C(=O)C1([H])[H])S(=O)(=O)C1=C([H])C([H])=C(C([H])=C1[H])[N+]([O-])=O	6500
[H]C1=C([H])C([H])=C(C([H])=C1[H])N1C(=O)N(C(=O)C1([H])[H])S(=O)(=O)C1=C([H])C([H])=C(F)C([H])=C1[H]	1500
[H]C1=C([H])C([H])=C(C([H])=C1[H])N1C(=O)N(C(=O)C2=C([H])C([H])=C(Cl)C([H])=C2[H])C(=O)C1([H])[H]	3000
[H]C1=C([H])C([H])=C(C([H])=C1[H])N1C(=O)N(C(=O)C1([H])[H])S(=O)(=O)C1=C([H])C(=C([H])C([H])=C1[H])C([H])([H])C(=O)OC([H])([H])[H]	5400
[H]C1=C([H])C([H])=C(C([H])=C1[H])N1C(=O)N(C(=O)C1([H])[H])S(=O)(=O)C1=C([H])C([H])=C(C#N)C([H])=C1[H]	330
[H]C1=C([H])C([H])=C(C([H])=C1[H])N1C(=O)N(C(=O)C1([H])[H])S(=O)(=O)C1=C([H])C(OC([H])([H])[H])=C([H])C([H])=C1[H]	8000
[H]C1=C([H])C([H])=C(OC2=C([H])C([H])=C(C([H])=C2[H])N2C(=O)N(C(=O)C2([H])[H])S(=O)(=O)C2=C([H])C([H])=C(Cl)C([H])=C2[H])C([H])=C1[H]	4800
[H]C1=C([H])C(=C(C([H])=C1N1C(=O)N(C(=O)C1([H])[H])S(=O)(=O)C1=C([H])C(=C(C([H])=C1[H])C([H])([H])[H])C([H])([H])[H])C([H])([H])[H])C([H])([H])[H]	1700
[H]OC(=O)C1=C([H])C([H])=C([H])C(=C1[H])S(=O)(=O)N1C(=O)N(C2=C([H])C([H])=C([H])C([H])=C2[H])C([H])([H])C1=O	1000
[H]C1=C([H])C([H])=C(C([H])=C1[H])N1C(=O)N(C(=O)C1([H])[H])S(=O)(=O)C1=C([H])C([H])=C(C([H])=C1[H])C([H])([H])C(=O)OC([H])([H])[H]	6500
[H]C1=C([H])C([H])=C(OC2=C(C([H])=C([H])C([H])=C2[H])N2C(=O)N(C(=O)C2([H])[H])S(=O)(=O)C2=C([H])C([H])=C(Cl)C([H])=C2[H])C([H])=C1[H]	5900
[H]C1=C([H])C([H])=C(C([H])=C1[H])N1C(=O)N(C(=O)C1([H])[H])S(=O)(=O)C1=C([H])C([H])=C(Br)C([H])=C1[H]	600
[H]C1=C([H])C(=C([H])C(Cl)=C1Cl)N1C(=O)N(C(=O)C1([H])[H])S(=O)(=O)C1=C([H])C(Cl)=C(Cl)C([H])=C1[H]	2300
[H]C1=C([H])C([H])=C(C([H])=C1[H])N1C(=O)N(C(=O)C1([H])[H])S(=O)(=O)C1=C([H])C([H])=C(C([H])=C1[H])C(=O)OC([H])([H])[H]	340
[H]C1=C([H])C([H])=C([H])C(=N1)N1C(=O)N(C(=O)C1([H])[H])S(=O)(=O)C1=C([H])C([H])=C(Cl)C([H])=C1[H]	8500
[H]C1=C([H])C([H])=C(OC2=C([H])C([H])=C(C([H])=C2[H])S(=O)(=O)N2C(=O)N(C3=C([H])C([H])=C([H])C([H])=C3[H])C([H])([H])C2=O)C([H])=C1[H]	3700
[H]C1=C([H])C([H])=C(C([H])=C1[H])N1C(=O)N(C(=O)C1([H])[H])S(=O)(=O)C1=C([H])C(=C([H])C([H])=C1[H])C(=O)OC([H])([H])[H]	640
[H]C1=C([H])C([H])=C(C([H])=C1[H])N1C(=O)N(C(=O)C1([H])[H])S(=O)(=O)C1=C([H])C([H])=C(OC([H])([H])[H])C([H])=C1[H]	4200
[H]C1=C([H])C([H])=C(C([H])=C1[H])N1C(=O)N(C(=O)C1([H])[H])S(=O)(=O)C1=C([H])C([H])=C(C([H])=C1[H])C([H])([H])[H]	4500
[H]C1=C([H])C([H])=C(C([H])=C1[H])N1C(=O)N(C(=O)C1([H])[H])S(=O)(=O)C1=C(C([H])=C([H])C([H])=C1[H])C([H])([H])[H]	1800
[H]C1=C([H])C([H])=C(OC2=C([H])C([H])=C([H])C(=C2[H])S(=O)(=O)N2C(=O)N(C3=C([H])C([H])=C([H])C([H])=C3[H])C([H])([H])C2=O)C([H])=C1[H]	3300
[H]C1=C([H])C([H])=C(C([H])=C1[H])N1C(=O)N(C(=O)C1([H])[H])S(=O)(=O)C1=C([H])C(Cl)=C([H])C([H])=C1[H]	2500
[H]C1=C([H])C([H])=C(C([H])=C1[H])N1C(=O)N(C(=O)C1([H])[H])S(=O)(=O)C1=C([H])C([H])=C(Cl)C([H])=C1[H]	700
[H]C1=C([H])C([H])=C(C([H])=C1[H])N1C(=O)N(C(=O)C1([H])[H])S(=O)(=O)C1=C([H])C(OC([H])([H])[H])=C(OC([H])([H])[H])C([H])=C1[H]	4100
[H]OC(=O)C1=C([H])C([H])=C(C([H])=C1[H])S(=O)(=O)N1C(=O)N(C2=C([H])C([H])=C([H])C([H])=C2[H])C([H])([H])C1=O	1900
[H]C1=C([H])C([H])=C(C([H])=C1[H])N1C(=O)N(C(=O)C1([H])[H])S(=O)(=O)C1=C([H])C([H])=C([H])C([H])=C1[H]	4500
[H]C1=C([H])C([H])=C(C([H])=C1[H])N1C(=O)N(C(=O)C1([H])[H])S(=O)(=O)C1=C(Cl)C([H])=C([H])C([H])=C1[H]	2200
[H]C1=C([H])C(=C([H])C([H])=C1Cl)N1C(=O)N(C(=O)C1([H])[H])S(=O)(=O)C1=C([H])C([H])=C(Cl)C([H])=C1[H]	1500
[H]C1=C([H])C(=C([H])C(Cl)=C1[H])N1C(=O)N(C(=O)C1([H])[H])S(=O)(=O)C1=C([H])C([H])=C(Cl)C([H])=C1[H]	3900
[H]C1=C([H])C([H])=C(C([H])=C1[H])N1C(=O)N(C(=O)C1([H])[H])S(=O)(=O)C1=C([H])C(=C([H])C([H])=C1[H])C(=O)N1C([H])([H])C([H])([H])N(C([H])([H])[H])C([H])([H])C1([H])[H]	4800
[H]C1=C([H])C([H])=C(C([H])=C1[H])N1C(=O)N(C(=O)C1([H])[H])S(=O)(=O)C1=C([H])C(=C(C([H])=C1[H])C([H])([H])[H])C([H])([H])[H]	220
[H]C1=C([H])C(=C([H])C([H])=C1Cl)S(=O)(=O)N1C(=O)N(C2=C([H])C(=C(C([H])=C2[H])C([H])([H])[H])C([H])([H])[H])C([H])([H])C1=O	3700
[H]C1=C([H])C([H])=C(C([H])=C1[H])N1C(=O)N(C(=O)C2=C([H])C([H])=C([H])C([H])=C2[H])C(=O)C1([H])[H]	7000
[H]C1=C([H])C([H])=C(C([H])=C1[H])N1C(=O)N(C(=O)C1([H])[H])S(=O)(=O)C1=C([H])C(C#N)=C([H])C([H])=C1[H]	780
[H]N(C(=O)C1=C([H])C([H])=C(OC([H])([H])[H])C([H])=C1[H])[C@]([H])(C(=O)N1C([H])([H])C([H])([H])C([H])([H])[C@@]1([H])C(=O)N([H])[C@]([H])(C(=O)C(F)(F)F)C([H])(C([H])([H])[H])C([H])([H])[H])C([H])(C([H])([H])[H])C([H])([H])[H]	250
[H]C1=C([H])C([H])=C(C([H])=C1[H])N1C(=O)N(C(=O)C1([H])[H])S(=O)(=O)C1=C([H])C(Cl)=C(Cl)C([H])=C1[H]	230
[H]C1=C([H])C(Cl)=C(C([H])=C1[H])N1C(=O)N(C(=O)C1([H])[H])S(=O)(=O)C1=C([H])C([H])=C(Cl)C([H])=C1[H]	2000
CC(C)C[C@H](NC(=O)[C@H](CC1=CC=CC=C1)NC(=O)C1=NC=CN=C1)B(O)O	575
[H]C([H])=C([H])C([H])([H])[C@@]1([H])C(=O)O[C@@]2([H])C([H])([H])C([H])([H])N(C(=O)OC([H])([H])C([H])([H])[H])[C@]12[H]	3600
[H]N(C(=O)C1=C([H])C([H])=C(C#N)C([H])=C1[H])[C@]([H])(C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])C(C(=O)N([H])[C@]([H])(C(=O)OC([H])([H])[H])C([H])([H])C1=C([H])C([H])=C([H])C([H])=C1[H])(C([H])([H])[H])C([H])([H])[H]	1500
[H]N(C(=O)C1=C([H])C([H])=C(C#N)C([H])=C1[H])[C@]([H])(C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])C(C(=O)N([H])[C@]([H])(C(=O)OC([H])([H])C([H])([H])[H])C([H])([H])C1=C([H])C([H])=C([H])C([H])=C1[H])(C([H])([H])[H])C([H])([H])[H]	77
[H]N(C(=O)C1=C([H])C([H])=C(C#N)C([H])=C1[H])[C@]([H])(C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])C(C(=O)N([H])[C@]([H])(C(=O)OC([H])([H])C([H])([H])C([H])([H])[H])C([H])([H])C1=C([H])C([H])=C([H])C([H])=C1[H])(C([H])([H])[H])C([H])([H])[H]	200
[H]N(C(=O)C1=C([H])C([H])=C(C#N)C([H])=C1[H])[C@@]([H])(C1=C(C([H])=C([H])C([H])=C1[H])C([H])([H])[H])C(C(=O)OC(=O)C(C([H])([H])[H])(C([H])([H])[H])[C@@]([H])(N([H])C(=O)C1=C([H])C([H])=C(C#N)C([H])=C1[H])C1=C(C([H])=C([H])C([H])=C1[H])C([H])([H])[H])(C([H])([H])[H])C([H])([H])[H]	190
[H]N(C(=O)C1=C([H])C([H])=C([H])C([H])=C1[H])[C@@]([H])(C([H])([H])C([H])([H])C1=C([H])C([H])=C([H])C([H])=C1[H])C(C(=O)OC(=O)C(C([H])([H])[H])(C([H])([H])[H])[C@]([H])(N([H])C(=O)C1=C([H])C([H])=C([H])C([H])=C1[H])C([H])([H])C([H])([H])C1=C([H])C([H])=C([H])C([H])=C1[H])(C([H])([H])[H])C([H])([H])[H]	157
[H]N(C(=O)C1=C([H])C([H])=C([H])C([H])=C1[H])[C@@]([H])(C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])C(C(=O)OC(=O)C(C([H])([H])[H])(C([H])([H])[H])[C@]([H])(N([H])C(=O)C1=C([H])C([H])=C([H])C([H])=C1[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])(C([H])([H])[H])C([H])([H])[H]	64
[H]N(C(=O)C1=C([H])C([H])=C(C#N)C([H])=C1[H])[C@@]([H])(C1=C([H])C([H])=C([H])C([H])=C1[H])C(C(=O)OC(=O)C(C([H])([H])[H])(C([H])([H])[H])[C@]([H])(N([H])C(=O)C1=C([H])C([H])=C(C#N)C([H])=C1[H])C1=C([H])C([H])=C([H])C([H])=C1[H])(C([H])([H])[H])C([H])([H])[H]	15
[H]N(C(=O)C1=C([H])C([H])=C([H])C([H])=C1[H])[C@@]([H])(C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])C(C(=O)OC(=O)C(C([H])([H])[H])(C([H])([H])[H])[C@]([H])(N([H])C(=O)C1=C([H])C([H])=C([H])C([H])=C1[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])(C([H])([H])[H])C([H])([H])[H]	6.4
[H]N(C(=O)C1=C([H])C([H])=C([H])C([H])=C1[H])[C@@]([H])(C([H])([H])C([H])([H])C([H])([H])[H])C(C(=O)OC(=O)C(C([H])([H])[H])(C([H])([H])[H])[C@]([H])(N([H])C(=O)C1=C([H])C([H])=C([H])C([H])=C1[H])C([H])([H])C([H])([H])C([H])([H])[H])(C([H])([H])[H])C([H])([H])[H]	75
[H]N(C(=O)C1=C([H])C([H])=C([H])C([H])=C1[H])[C@@]([H])(C([H])([H])C([H])([H])[H])C(C(=O)OC(=O)C(C([H])([H])[H])(C([H])([H])[H])[C@]([H])(N([H])C(=O)C1=C([H])C([H])=C([H])C([H])=C1[H])C([H])([H])C([H])([H])[H])(C([H])([H])[H])C([H])([H])[H]	160
[H]N(C(=O)C1=C([H])C([H])=C(C#N)C([H])=C1[H])[C@@]([H])(C1=C(Cl)C([H])=C([H])C([H])=C1[H])C(C(=O)OC(=O)C(C([H])([H])[H])(C([H])([H])[H])[C@@]([H])(N([H])C(=O)C1=C([H])C([H])=C(C#N)C([H])=C1[H])C1=C(Cl)C([H])=C([H])C([H])=C1[H])(C([H])([H])[H])C([H])([H])[H]	140
[H]N(C(=O)C([H])([H])C([H])([H])C([H])([H])[H])[C@@]([H])(C([H])([H])C([H])([H])C1=C([H])C([H])=C([H])C([H])=C1[H])C(C(=O)OC(=O)C(C([H])([H])[H])(C([H])([H])[H])[C@@]([H])(N([H])C(=O)C([H])([H])C([H])([H])C([H])([H])[H])C([H])([H])C([H])([H])C1=C([H])C([H])=C([H])C([H])=C1[H])(C([H])([H])[H])C([H])([H])[H]	270.5
[H]N(C(=O)C1=C([H])C([H])=C(C#N)C([H])=C1[H])[C@@]([H])([C@@]1([H])C([H])([H])C([H])=C([H])C([H])([H])C1([H])[H])C(C(=O)OC(=O)C(C([H])([H])[H])(C([H])([H])[H])[C@]([H])(N([H])C(=O)C1=C([H])C([H])=C(C#N)C([H])=C1[H])[C@@]1([H])C([H])([H])C([H])=C([H])C([H])([H])C1([H])[H])(C([H])([H])[H])C([H])([H])[H]	69
[H]N(C(=O)C1=C([H])C([H])=C(C#N)C([H])=C1[H])[C@@]([H])(C([H])([H])C([H])([H])C1=C([H])C([H])=C([H])C([H])=C1[H])C(C(=O)OC(=O)C(C([H])([H])[H])(C([H])([H])[H])[C@]([H])(N([H])C(=O)C1=C([H])C([H])=C(C#N)C([H])=C1[H])C([H])([H])C([H])([H])C1=C([H])C([H])=C([H])C([H])=C1[H])(C([H])([H])[H])C([H])([H])[H]	1.4
[H]N(C(=O)C([H])([H])C([H])([H])C([H])([H])[H])[C@@]([H])(C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])C(C(=O)OC(=O)C(C([H])([H])[H])(C([H])([H])[H])[C@@]([H])(N([H])C(=O)C([H])([H])C([H])([H])C([H])([H])[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])(C([H])([H])[H])C([H])([H])[H]	1600
[H]N(C(=O)C1=C([H])C([H])=C([H])C([H])=C1[H])C([H])([H])C(C(=O)OC(=O)C(C([H])([H])[H])(C([H])([H])[H])C([H])([H])N([H])C(=O)C1=C([H])C([H])=C([H])C([H])=C1[H])(C([H])([H])[H])C([H])([H])[H]	170
[H]N(C(=O)C1=C([H])C([H])=C([H])C([H])=C1[H])C([H])([H])C([H])([H])C(=O)OC(=O)C([H])([H])C([H])([H])N([H])C(=O)C1=C([H])C([H])=C([H])C([H])=C1[H]	3100
[H]N(C(=O)C([H])([H])C([H])([H])C1=C([H])C([H])=C(OC([H])([H])[H])C([H])=C1[H])[C@]([H])(C(=O)C([H])([H])Cl)C([H])([H])C1=C([H])C([H])=C([H])C([H])=C1[H]	9300
[H]N(C(=O)C([H])([H])C([H])([H])C1=C([H])C(Cl)=C(Cl)C([H])=C1[H])[C@]([H])(C(=O)C([H])([H])Cl)C([H])([H])C1=C([H])C([H])=C([H])C([H])=C1[H]	8100
[H]N([H])C1=C([H])N=C(N(C1=O)C([H])([H])C(=O)N([H])[C@@]([H])(C(=O)C1=NC2=C(O1)C([H])=C([H])C(=C2[H])C(=O)OC([H])([H])[H])C([H])([H])C1=C([H])C([H])=C([H])C([H])=C1[H])C1=C([H])C(OC([H])([H])[H])=C([H])C([H])=C1[H]	379
[H]N([H])C1=C([H])N=C(N(C1=O)C([H])([H])C(=O)N([H])[C@@]([H])(C(=O)C(F)(F)C(=O)N([H])C([H])([H])C1=C([H])C([H])=C([H])C([H])=C1[H])C([H])([H])C1=C([H])C([H])=C([H])C([H])=C1[H])C1=C([H])C([H])=C([H])C(Cl)=C1[H]	1390
[H]OC(=O)C([H])([H])N1C([H])=NN=C1SC([H])([H])C1=C(N2C(=O)[C@@](OC([H])([H])[H])(N([H])C(=O)C3=C([H])C([H])=C([H])C([H])=C3OC([H])([H])[H])[C@@]2([H])OC1([H])[H])C(=O)OC([H])([H])C1=C([H])C(=C([H])C([H])=C1[H])C([H])([H])[H]	230
[H]OC(=O)C1=C([H])C([H])=C(C([H])=C1[H])C([H])([H])OC(=O)C1=C(C([H])([H])SC2=NN=NN2C([H])([H])[H])C([H])([H])O[C@@]2([H])N1C(=O)[C@@]2(OC([H])([H])[H])N([H])C(=O)C1=C([H])C([H])=C([H])C([H])=C1OC([H])([H])C([H])([H])[H]	280
[H]C1=C([H])C([H])=C(C([H])=C1[H])C([H])([H])N1C(=O)N(C1=O)C([H])([H])C1=C([H])C([H])=C([H])C([H])=C1[H]	0.39
[H]C1=C([H])C(=C([H])C([H])=C1N1C(=O)N(C1=O)C1=C([H])C([H])=C(C([H])=C1[H])C([H])([H])[H])C([H])([H])[H]	2.3
[H]C([H])([H])C([H])([H])N1C(=O)N(C1=O)C([H])([H])C([H])([H])[H]	740
[H]N([H])C1=C([H])N=C(N(C1=O)C([H])([H])C(=O)N([H])[C@@]([H])(C(=O)C1=NC2=C(O1)C([H])=C([H])C(=C2[H])C(=O)OC([H])([H])[H])C([H])([H])C1=C([H])C([H])=C([H])C([H])=C1[H])C1=C([H])C([H])=C(F)C([H])=C1[H]	720
CC(C)C[C@H](NC(=O)[C@@H](NC(=O)C1=CC=CC(=N1)C1=CC=CC=C1)[C@@H](C)O)B(O)O	537.675
[H]N(C1=C([H])C([H])=C(C([H])=C1S(=O)(=O)C([H])([H])[H])C(=O)OC([H])([H])[H])S(=O)(=O)C1=C(C2=C(S1)C([H])=C([H])C(F)=C2[H])C([H])([H])[H]	1000
[H]N(C1=C([H])C([H])=C(C([H])=C1S(=O)(=O)C([H])([H])[H])C(=O)C([H])([H])[H])S(=O)(=O)C1=C(C2=C(S1)C([H])=C([H])C(F)=C2[H])C([H])([H])[H]	1000
[H]N(C1=C([H])C([H])=C(C([H])=C1S(=O)(=O)C([H])([H])[H])C(=O)OC([H])([H])[H])S(=O)(=O)C1=C(C2=C(S1)C([H])=C([H])C(Cl)=C2[H])C([H])([H])[H]	1000
[H]OP(=O)(O[H])[C@]([H])(C(=O)C1=C(C([H])=C2C([H])=C([H])C([H])=C([H])C2=C1[H])C(=O)N(C([H])([H])[H])C([H])([H])C(=O)N([H])C([H])([H])C([H])([H])C1=C([H])C([H])=C([H])C([H])=C1[H])C1=C([H])C([H])=C([H])C2=C([H])C([H])=C([H])C([H])=C12	1300
[H]OP(=O)(O[H])[C@]([H])(C(=O)C1=C(C([H])=C2C([H])=C([H])C([H])=C([H])C2=C1[H])C(=O)N(C([H])([H])[H])C([H])([H])C(=O)N([H])C1([H])C([H])([H])C([H])([H])N(C(=O)C2=C([H])C([H])=C3C([H])=C([H])C([H])=C([H])C3=C2[H])C([H])([H])C1([H])[H])C1=C([H])C([H])=C([H])C2=C([H])C([H])=C([H])C([H])=C12	380
[H]OP(=O)(O[H])[C@]([H])(C(=O)C1=C(C([H])=C2C([H])=C([H])C([H])=C([H])C2=C1[H])C(=O)N(C([H])([H])[H])C([H])([H])C([H])([H])C([H])([H])N([H])C(=O)C1=C([H])C([H])=C([H])C([H])=C1[H])C1=C([H])C([H])=C([H])C2=C([H])C([H])=C([H])C([H])=C12	800
[H]OP(=O)(O[H])[C@]([H])(C(=O)C1=C(C([H])=C2C([H])=C([H])C([H])=C([H])C2=C1[H])C(=O)N(C([H])([H])[H])C1([H])C([H])([H])C([H])([H])N(C(=O)C2=C([H])C([H])=C([H])C([H])=C2[H])C([H])([H])C1([H])[H])C1=C([H])C([H])=C([H])C2=C([H])C([H])=C([H])C([H])=C12	284
[H]OP(=O)(O[H])[C@@]([H])(C(=O)C1=C([H])C([H])=C2C([H])=C([H])C([H])=C([H])C2=C1[H])C1=C([H])C([H])=C([H])C2=C([H])C([H])=C([H])C([H])=C12	4100
[H]OP(=O)(O[H])[C@]([H])(C(=O)C1=C(C([H])=C2C([H])=C([H])C([H])=C([H])C2=C1[H])C(=O)N(C([H])([H])[H])C([H])([H])C1=C([H])C([H])=C([H])C([H])=C1[H])C1=C([H])C([H])=C([H])C2=C([H])C([H])=C([H])C([H])=C12	1000
[H]OP(=O)(O[H])[C@]([H])(C(=O)C1=C(C([H])=C2C([H])=C([H])C([H])=C([H])C2=C1[H])C(=O)N(C([H])([H])[H])C([H])([H])C(=O)N([H])C([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])C1=C([H])C([H])=C([H])C2=C([H])C([H])=C([H])C([H])=C12	500
[H]N1C(=O)C([H])([H])N(C(=O)[C@]([H])(C([H])([H])C2=C(OC([H])([H])[H])C([H])=C([H])C(Cl)=C2[H])C1([H])[H])S(=O)(=O)C1=C([H])C([H])=C(Cl)C([H])=C1[H]	2900
[H]OP(=O)(O[H])[C@]([H])(C(=O)N([H])C1=C([H])C2=C([H])C([H])=C([H])C([H])=C2C([H])=C1[H])C1=C([H])SC2=C1C([H])=C(Cl)C([H])=C2[H]	9500
[H]N([H])[C@]([H])(C(=O)N([H])[C@]1(C#N)C([H])([H])[C@]1([H])C1=C([H])C([H])=C([H])C([H])=C1[H])C([H])([H])C1=C(F)C([H])=C([H])S1	5045
[H]N(C(=O)[C@@]([H])([N+]([H])([H])[H])C([H])([H])C1=C(F)C([H])=C([H])C([H])=C1[H])[C@@]1(C#N)C([H])([H])[C@@]1([H])C1=C([H])C([H])=C([H])C([H])=C1[H]	1200
[H]OC(=O)C1=C([H])C([H])=C([H])C(=C1[H])[C@]([H])(N([H])C(=O)N1C(=O)[C@]([H])(C([H])([H])C2=C(OC([H])([H])[H])C([H])=C([H])C(Cl)=C2[H])C([H])([H])N([H])C(=O)C1([H])[H])C([H])([H])C([H])([H])[H]	8000
[H]N(C(=O)[C@@]([H])(N([H])C(=O)[C@@]1([H])O[C@]1([H])C(=O)OC([H])([H])C([H])([H])[H])C([H])([H])C([H])(C([H])([H])[H])C([H])([H])[H])C([H])([H])C([H])([H])C([H])(C([H])([H])[H])C([H])([H])[H]	1100
[H]C1=C([H])C2=C(C([H])=C1[H])S(=O)(=O)N(C2=O)C1=C(F)C(F)=NC(F)=C1F	3700
[H]OC1=C(O[H])C([H])=C(C([H])=C1[H])C(=O)C1=C(O[H])[C@]2(C(=O)[C@](C1=O)(C([H])([H])C([H])=C(C([H])([H])[H])C([H])([H])[H])[C@](C([H])([H])[H])(C([H])([H])C([H])([H])C([H])=C(C([H])([H])[H])C([H])([H])[H])[C@@]([H])(C([H])([H])C([H])=C(C([H])([H])[H])C([H])([H])[H])C2([H])[H])C([H])([H])C([H])=C(C([H])([H])[H])C([H])([H])[H]	2700
[H]OC(=O)C([H])([H])[C@]1([H])N([H])C(=O)[C@@]2([H])N(C(=O)[C@@]([H])(N([H])C(=O)[C@@]3([H])N([H])C(=O)[C@@]([H])(N([H])C(=O)[C@@]4([H])N(C(=O)[C@@]5([H])N(C(=O)[C@@]([H])(N([H])C(=O)[C@@]([H])(N([H])C(=O)[C@@]([H])(N([H])C(=O)[C@@]([H])(N([H])C(=O)[C@@]([H])(N([H])C(=O)[C@@]([H])(N([H])C(=O)C([H])([H])N([H])C1=O)C([H])([H])C([H])([H])C([H])([H])N([H])C(=N[H])N([H])[H])C([H])([H])SSC3([H])[H])[C@]([H])(O[H])C([H])([H])[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])N([H])[H])C([H])([H])O[H])[C@@]([H])(C([H])([H])[H])C([H])([H])C([H])([H])[H])C([H])([H])C([H])([H])C5([H])[H])C([H])([H])C([H])([H])C4([H])[H])[C@@]([H])(C([H])([H])[H])C([H])([H])C([H])([H])[H])C([H])([H])C1=C([H])C([H])=C([H])C([H])=C1[H])C([H])([H])C([H])([H])C2([H])[H]	0.15
[H]N(C(=O)[C@@]1([H])N(C(=O)[C@@]([H])(N([H])C(=O)OC(C([H])([H])[H])(C([H])([H])[H])C([H])([H])[H])C([H])(C([H])([H])[H])C([H])([H])[H])C([H])([H])C([H])([H])C1([H])[H])[C@@]([H])(C(=O)C(F)(F)F)C([H])([H])C1=C([H])C([H])=C([H])C([H])=C1[H]	1700
[H][C@@]12CCCN1C(=O)[C@H](CSCC1=CC3=CC(CSC[C@]([H])(NC(=O)[C@H](CC4=CC=CC=C4)NC(=O)CNC(=O)[C@H](CCC(O)=O)NC(=O)[C@@]([H])(NC(=O)[C@H](CCCNC(N)=N)NC2=O)[C@H](C)CC)C(=O)N[C@H](CC(C)C)C(=O)N2CCC[C@@]2([H])C(=O)N[C@@]([H])([C@H](C)CC)C(=O)N[C@@H](CC2=CC=CC=C2)C(=O)N[C@H](CO)C(=O)N[C@H](CC(O)=O)C(=O)N[C@@H](CSC3)C(=O)NCC(N)=O)=C1)NC(=O)[C@H](C)N	1000
[H][C@@]12CCCN1C(=O)CNC(=O)[C@H](CCC(O)=O)NC(=O)CNC(=O)CNC(=O)CNC(=O)[C@]1([H])CSCC3=CC(CSC[C@H](NC(=O)[C@H](C)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC4=CC=CC=C4)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](CC4=CC=CC=C4)C(=O)N1)=CC(CSC[C@H](NC2=O)C(=O)NCC(N)=O)=C3	150
[H][C@@]12CSCC3=CC(CSC[C@H](NC(=O)[C@H](C)N)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CC4=CC=C(O)C=C4)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](C(C)C)C(=O)NCC(=O)N[C@@H](CC4=CC=CC=C4)C(=O)N1)=CC(CSC[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)CNC(=O)[C@H](CC1=CC=CC=C1)NC(=O)CNC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC1=CNC4=C1C=CC=C4)NC2=O)C(=O)NCC(N)=O)=C3	100
[H]C#CC([H])([H])OC(=O)C1=C([H])C([H])=C([H])C([H])=C1C(=O)N1N=NC2=C([H])C([H])=C([H])C([H])=C12	3966.38
[H]N(C(=O)OC(C([H])([H])[H])(C([H])([H])[H])C([H])([H])[H])[C@]([H])(C1=NN=C(O1)S(=O)(=O)C([H])([H])C1=C(F)C([H])=C([H])C([H])=C1Cl)C([H])(C([H])([H])[H])C([H])([H])[H]	9377.25
[H]N(C(=O)OC(C([H])([H])[H])(C([H])([H])[H])C([H])([H])[H])[C@]([H])(C1=NN=C(O1)S(=O)(=O)C([H])([H])C1=C([H])C(F)=C([H])C([H])=C1[H])C([H])([H])C1=C([H])C([H])=C([H])C([H])=C1[H]	2670.41
[H]N(C(=O)OC(C([H])([H])[H])(C([H])([H])[H])C([H])([H])[H])[C@]([H])(C1=NN=C(O1)S(=O)(=O)C([H])([H])C1=C([H])C([H])=C([H])C([H])=C1[H])C([H])([H])C1=C([H])C([H])=C([H])C([H])=C1[H]	1953.52
[H]N([H])C1=C(C#N)C([H])=NN1C(=O)C1=C([H])C([H])=C(C([H])=C1[H])C([H])([H])SC1=NN=C([H])N1C([H])([H])[H]	3857.13
[H]C1=C(OC(=O)C2=C([H])C([H])=C([H])C([H])=C2[H])N(N=C1C([H])([H])[H])C([H])([H])C([H])([H])C#N	2263.54
[H]N([H])C1=NN(C([H])=N1)C(=O)C1=C([H])C([H])=C(OC([H])([H])[H])C([H])=C1[H]	1313.57
[H]C1=C([H])C([H])=C2C(=O)OC(=NC2=C1[H])C1=C([H])C(=C([H])C([H])=C1[H])S(=O)(=O)N1C([H])([H])C([H])([H])OC([H])([H])C1([H])[H]	4050.32
[H]N(C(=O)C1=NOC2=C1C([H])([H])C([H])([H])C1=C([H])C([H])=C([H])C([H])=C21)C([H])([H])C([H])([H])N1C([H])([H])C([H])([H])OC([H])([H])C1([H])[H]	5321.6
[H]N(C(=O)C1=NOC2=C1C([H])([H])C([H])([H])C1=C2C([H])=C([H])C(OC([H])([H])[H])=C1[H])C([H])([H])C([H])([H])C([H])([H])N1C([H])=NC([H])=C1[H]	4130.31
[H]N(C(=O)C1=NOC2=C1C([H])([H])C([H])([H])C1=C2C([H])=C([H])C(OC([H])([H])[H])=C1[H])C([H])([H])C([H])([H])OC([H])([H])[H]	4356.24
[H]N([H])C1=C([H])C(OC(=O)C2=C([H])C([H])=C([H])S2)=NN1S(=O)(=O)C1=C([H])C([H])=C(OC([H])([H])[H])C([H])=C1[H]	2522.08
[H]N(C(=O)C1=NOC2=C1C([H])([H])C([H])([H])C1=C([H])C([H])=C([H])C([H])=C21)C([H])([H])C([H])([H])C1=C([H])C([H])=C([H])C([H])=C1[H]	2483.19
[H]N(C(=O)C1=NOC2=C1C([H])([H])C([H])([H])C1=C2C([H])=C([H])C(OC([H])([H])[H])=C1[H])C1=NN(C([H])=C1[H])C([H])([H])C1=C([H])C([H])=C(C([H])=C1[H])C([H])([H])[H]	2905.57
[H]N(C(=O)C1=NOC2=C1C([H])([H])C([H])([H])C1=C2C([H])=C([H])C(OC([H])([H])[H])=C1[H])C([H])([H])C1=C([H])C([H])=C([H])O1	1582.98
[H]N(C(=O)C1=NOC2=C1C([H])([H])C([H])([H])C1=C2C([H])=C([H])C(OC([H])([H])[H])=C1[H])C([H])([H])C1=C([H])N=C([H])C([H])=C1[H]	1392.29
[H]N(C(=O)C1=NOC2=C1C([H])([H])C([H])([H])C1=C2C([H])=C([H])C(OC([H])([H])[H])=C1[H])C([H])([H])C([H])([H])N1C([H])([H])C([H])([H])OC([H])([H])C1([H])[H]	5821.88
[H]N(C(=O)C1=NOC2=C1C([H])([H])C([H])([H])C1=C([H])C([H])=C([H])C([H])=C21)C([H])([H])C([H])([H])C([H])([H])N1C([H])=NC([H])=C1[H]	3725.4
[H]N(C(=O)C1=NOC2=C1C([H])([H])C([H])([H])C1=C2C([H])=C([H])C(OC([H])([H])[H])=C1[H])C1=C(N(N(C1=O)C1=C([H])C([H])=C([H])C([H])=C1[H])C([H])([H])[H])C([H])([H])[H]	4643.22
[H]N(C(=O)C1=NOC2=C1C([H])([H])C([H])([H])C1=C2C([H])=C([H])C(OC([H])([H])[H])=C1[H])C1=NN(C(=C1[H])C([H])([H])[H])C([H])([H])C1=C([H])C([H])=C(Cl)C([H])=C1[H]	1469.75
[H]N(C(=O)C([H])([H])C([H])([H])[H])C1=C([H])C([H])=C([H])C(=C1[H])C1=NC2=C([H])C([H])=C([H])C([H])=C2C(=O)O1	3430.3
[H]N([H])C1=C([H])C(OC(=O)C2=C([H])C([H])=C([H])S2)=NN1S(=O)(=O)C1=C([H])C([H])=C([H])C([H])=C1[H]	3255.8
[H]N(C(=O)C1=NOC2=C1C([H])([H])C([H])([H])C1=C2C([H])=C([H])C(OC([H])([H])[H])=C1[H])[C@]([H])(C([H])([H])[H])C([H])([H])OC([H])([H])[H]	6395.16
[H]N(C(=O)C1=NOC2=C1C([H])([H])C([H])([H])C1=C2C([H])=C([H])C(OC([H])([H])[H])=C1[H])C1([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C1([H])[H]	631.087
[H]C1=C([H])C([H])=C2N(N=NC2=C1[H])C(=O)C1=C([H])C([H])=C([H])C([H])=C1SC([H])([H])C([H])([H])[H]	9801.24
[H]C1=C([H])C([H])=C(O1)C1=NN(C(=O)C2=C([H])C([H])=C([H])S2)C(SC([H])([H])[H])=N1	1781.85
[H]N([H])C1=C([H])C(OC(=O)C2=C([H])C([H])=C([H])S2)=NN1S(=O)(=O)C1=C([H])C([H])=C(C([H])=C1[H])C([H])([H])[H]	8074.85
[H]N(C(=O)C([H])([H])C([H])([H])C([H])([H])[H])C1=C([H])C([H])=C(C([H])=C1[H])C(=O)N1N=NC2=C([H])C([H])=C([H])C([H])=C12	923.14
[H]N(C(=O)C([H])([H])[H])C1=C([H])C([H])=C([H])C(=C1[H])C1=NC2=C([H])C([H])=C([H])C([H])=C2C(=O)O1	2167.76
[H]C1=NN(C([H])=C1[H])C(=O)C1=C([H])SC2=C([H])C([H])=C([H])C([H])=C12	4328.64
[H]N([H])C1=NC(=NN1C(=O)C1=C([H])C(OC([H])([H])[H])=C(OC([H])([H])[H])C([H])=C1[H])C1=C([H])C([H])=C([H])C([H])=C1[H]	4425.81
[H]C1=NN(C([H])=C1[H])C(=O)C1=C([H])SC2=C1C([H])([H])C([H])([H])C([H])([H])C2([H])[H]	3612.03
[H]\C(=C1\SC2=NC([H])=NN2C1=O)C1=C(C([H])=C([H])S1)C([H])([H])[H]	4656.35
[H]N([H])C1=NN=C([H])N1C(=O)C1=C([H])C(=C(C([H])=C1[H])C([H])([H])[H])C([H])([H])[H]	1584.54
[H]N([H])C1=NN=C([H])N1C(=O)C1=C([H])C(=C([H])C(=C1[H])C([H])([H])[H])C([H])([H])[H]	3883.52
[H]C1=C([H])C([H])=C(O1)C1=NN(C(=O)C2=C([H])C([H])=C(C([H])=C2[H])C([H])([H])[H])C(SC([H])([H])[H])=N1	1016.52
[H]N(C(=O)C1=NOC2=C1C([H])([H])C([H])([H])C1=C2C([H])=C([H])C(OC([H])([H])[H])=C1[H])C([H])([H])C1=C([H])C([H])=C(F)C([H])=C1[H]	2522.99
[H]N(C(=O)C1=NOC2=C1C([H])([H])C([H])([H])C1=C([H])C([H])=C([H])C([H])=C21)C1=C(N(N=C1C([H])([H])[H])C([H])([H])C1=C([H])C([H])=C([H])C([H])=C1C([H])([H])[H])C([H])([H])[H]	6447.97
[H]N([H])C1=NC(=NN1C(=O)C1=C([H])C([H])=C(Cl)C([H])=C1[H])C(=O)N1C([H])([H])C([H])([H])OC([H])([H])C1([H])[H]	4509.63
[H]N(C(=O)C1=NOC2=C1C([H])([H])C([H])([H])C1=C([H])C([H])=C([H])C([H])=C21)C1=NOC(=C1[H])C([H])([H])[H]	4254.8
[H]N(C(=O)C1=NOC2=C1C([H])([H])C([H])([H])C1=C([H])C([H])=C([H])C([H])=C21)C([H])([H])C([H])([H])C([H])([H])[H]	2546.26
[H]C1=C([H])C([H])=C(O1)C1=NC2=C([H])C([H])=C([H])C([H])=C2C(=O)O1	793.177
[H]C1=NC([H])=C(C([H])=C1[H])C1=NC2=C([H])C([H])=C([H])C([H])=C2C(=O)O1	2772.6
[H]C1=C([H])C([H])=C2N(N=NC2=C1[H])C(=O)C1=C([H])C2=C(OC([H])([H])O2)C([H])=C1[H]	956.887
[H]OC(=O)C([H])([H])C([H])([H])N1C(=O)N(C2=C([H])C([H])=C([H])C([H])=C12)C([H])([H])C1=C([H])SC2=C1C([H])=C([H])C([H])=C2[H]	10
[H]OC(=O)C([H])([H])C([H])([H])N1C(=O)N(C2=C([H])C([H])=C([H])C([H])=C12)C([H])([H])C1=NSC2=C1C([H])=C([H])C([H])=C2[H]	10
[H]OC(=O)C([H])([H])C([H])([H])N1C(=O)N(C2=C([H])C([H])=C([H])C([H])=C12)C([H])([H])C1=C([H])N(C2=C1C([H])=C([H])C([H])=C2[H])C([H])([H])[H]	10
[H]OC(=O)C([H])([H])C([H])([H])N1C(=O)N(C2=C([H])C([H])=C([H])C([H])=C12)C([H])([H])C1=C2C([H])=C([H])C([H])=C([H])C2=C([H])C([H])=C1[H]	10
[H]OC(=O)C([H])([H])C([H])([H])N1C(=O)N(C2=C([H])C([H])=C([H])C([H])=C12)C([H])([H])C1=C([H])N=C2C([H])=C([H])C([H])=C(N12)C([H])([H])[H]	10
[H]OC(=O)C([H])([H])C([H])([H])N1C(=O)N(C2=C([H])C([H])=C([H])C([H])=C12)C([H])([H])C1=C2N(N=C1[H])C([H])=C([H])C([H])=C2C([H])([H])[H]	10
[H]OC(=O)C([H])([H])C([H])([H])N1C(=O)N(C2=C([H])C([H])=C([H])C([H])=C12)C([H])([H])C1=C([H])C(C#N)=C2C([H])=C([H])C([H])=C(N12)C([H])([H])[H]	10
[H]OC(=O)C([H])([H])C([H])([H])N1C(=O)N(C2=C([H])C([H])=C([H])C([H])=C12)C([H])([H])C1=C2N(C([H])=C([H])C2=C([H])C([H])=C1[H])C([H])([H])[H]	10
[H]OC(=O)C([H])([H])C([H])([H])N1C(=O)N(C2=C([H])C([H])=C([H])C([H])=C12)C([H])([H])C1=C2N(C(=C([H])C2=C([H])C([H])=C1[H])C([H])([H])[H])C([H])([H])[H]	10
[H]OC(=O)C([H])([H])C([H])([H])N1C(=O)N(C2=C([H])C([H])=C([H])C([H])=C12)C([H])([H])C1=C2C(=C([H])C([H])=C1[H])N(C([H])=C2C([H])([H])[H])C([H])([H])[H]	10
[H]OC(=O)C([H])([H])C([H])([H])N1C(=O)N(C2=C([H])C([H])=C([H])C([H])=C12)C([H])([H])C1=C2N(C(=C(C2=C([H])C([H])=C1[H])C([H])([H])[H])C([H])([H])[H])C([H])([H])[H]	10
[H]OC(=O)C([H])([H])C([H])([H])N1C(=O)N(C2=C([H])C([H])=C([H])C([H])=C12)C([H])([H])C1=C2N(C(=C(C2=C([H])C(OC([H])([H])[H])=C1[H])C([H])([H])[H])C([H])([H])[H])C([H])([H])[H]	10
[H]OC(=O)C([H])([H])C([H])([H])N1C(=O)N(C2=C([H])C([H])=C([H])C([H])=C12)C([H])([H])C1=C2N(C(=C(C2=C([H])C([H])=C1Cl)C([H])([H])[H])C([H])([H])[H])C([H])([H])[H]	10
[H]OC(=O)C([H])([H])C([H])([H])N1C(=O)N(C2=C([H])C([H])=C([H])C([H])=C12)C([H])([H])C1=C2N(C(=C(C2=C([H])C(=C1[H])C([H])([H])[H])C([H])([H])[H])C([H])([H])[H])C([H])([H])[H]	7
[H]OC(=O)C([H])([H])C([H])([H])N1C(=O)N(C2=C([H])C([H])=C([H])C([H])=C12)C([H])([H])C1=C2N(C([H])=C(C2=C([H])C([H])=C1[H])C([H])([H])[H])C([H])([H])[H]	8.8
[H]OC(=O)C([H])([H])C([H])([H])N1C(=O)N(C2=C([H])C([H])=C([H])C([H])=C12)C([H])([H])C1=NSC2=C1C(=C([H])C(=C2[H])C([H])([H])[H])C([H])([H])[H]	9.5
[H]OC(=O)C([H])([H])C([H])([H])N1C(=O)N(C2=C([H])C([H])=C([H])C([H])=C12)C([H])([H])C1=C2N(C(=C(C2=C([H])C(Cl)=C1[H])C([H])([H])[H])C([H])([H])[H])C([H])([H])[H]	22
[H]OC(=O)C([H])([H])C([H])([H])N1C(=O)N(C2=C([H])C([H])=C([H])C([H])=C12)C([H])([H])C1=C([H])N(C2=C1C(=C([H])C([H])=C2[H])C([H])([H])[H])C([H])([H])[H]	4.8
[H]OC(=O)C([H])([H])C([H])([H])N1C(=O)N(C2=C([H])C([H])=C([H])C([H])=C12)C([H])([H])C1=C([H])SC2=C1C(=C([H])C([H])=C2[H])C([H])([H])[H]	2.1
[H]C1=C([H])C([H])=C(C([H])=C1[H])C([H])([H])N1C(=O)OC(C1=O)(C([H])([H])[H])C([H])([H])[H]	2100
[H][C@@]12CSCC3=CC(CSC[C@H](NC(=O)[C@H](C)N)C(=O)N[C@@]([H])([C@H](C)O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)NCC(=O)N[C@@H](CO)C(=O)NCC(=O)N[C@@H](CC(O)=O)C(=O)N1)=CC(CSC[C@H](NC(=O)[C@H](CC1=CC=CC=C1)NC(=O)CNC(=O)[C@H](CC1=CC=CC=C1)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC1=CC=C(O)C=C1)NC(=O)[C@@H](NC2=O)[C@H](C)O)C(=O)NCC(N)=O)=C3	200
[H][C@@]12CSCC3=CC(CSC[C@H](NC(=O)[C@H](C)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N1)=CC(CSC[C@H](NC(=O)[C@H](CC1=CC=CC=C1)NC(=O)CNC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC1=CC=C(O)C=C1)NC(=O)[C@H](NC2=O)C(C)C)C(=O)NCC(N)=O)=C3	200
[H][C@@]12CSCC3=CC(CSC[C@H](NC(=O)[C@H](C)N)C(=O)N[C@@]([H])([C@@H](C)CC)C(=O)N[C@@H](CC4=CC=CC=C4)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](CC4=CC=CC=C4)C(=O)N1)=CC(CSC[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC1=CNC4=C1C=CC=C4)NC(=O)[C@H](CC1=CNC4=C1C=CC=C4)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](CC1=CN=CN1)NC2=O)C(=O)NCC(N)=O)=C3	100