smile	binding.affinity
[H]OC1=C([H])C([H])=C2C([H])=C([H])C([H])=C([H])C2=C1C([H])([H])C1=C(N(C(=S)N([H])C1=O)C([H])([H])C([H])([H])C([H])([H])[H])C1=C([H])C([H])=C([H])C([H])=C1[H]	4800
[H]OC1=C([H])C([H])=C2C([H])=C([H])C([H])=C([H])C2=C1C([H])([H])C1=C(N(C(=S)N([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]	1000
[H]N([H])C(=O)[C@@]1([H])C2=C(C3=C([H])C(Cl)=C([H])C([H])=C3N2[H])C([H])([H])C([H])([H])C([H])([H])C1([H])[H]	2770
[H]OC([H])([H])C([H])([H])[C@]([H])(OC([H])([H])C([H])([H])N1C([H])=C(C2=C([H])C([H])=C([H])C([H])=C12)C1=C(C(=O)N([H])C1=O)C1=C([H])N([H])C2=C1C(F)=C([H])C([H])=C2[H])[C@@]([H])(O[H])C([H])([H])O[H]	9500
[H]N=C(SC([H])([H])C([H])([H])C([H])([H])N1C([H])=C(C2=C1C([H])=C([H])C([H])=C2[H])C1=C(C(=O)N([H])C1=O)C1=C([H])N(C2=C1C([H])=C([H])C([H])=C2[H])C([H])([H])[H])N([H])[H]	800
[H]N1C([H])=C(C2=C1C([H])=C([H])C([H])=C2[H])C1=C(C(=O)N([H])C1=O)C1=C([H])N(C2=C1C([H])=C([H])C([H])=C2[H])C([H])([H])C([H])([H])[C@]1([H])N(C([H])([H])[H])C([H])([H])C([H])([H])C1([H])[H]	8300
[H]N1C([H])=C(C2=C1C([H])=C([H])C([H])=C2[H])C1=C(C(=O)N([H])C1=O)C1=C([H])N(C2=C1C([H])=C([H])C([H])=C2[H])C([H])([H])C([H])([H])C([H])([H])N(C([H])([H])[H])C([H])([H])[H]	7300
[H]N1C([H])=C(C2=C1C([H])=C([H])C([H])=C2[H])C1=C(C(=O)N([H])C1=O)C1=C([H])N([H])C2=C1C([H])=C([H])C([H])=C2[H]	4700
[H]OC([H])([H])C([H])([H])[C@]([H])(OC([H])([H])C([H])([H])N1C([H])=C(C2=C([H])C([H])=C([H])C([H])=C12)C1=C(C(=O)N([H])C1=O)C1=C([H])N([H])C2=C1C(F)=C([H])C([H])=C2[H])[C@@]1([H])O[C@]2(OC1([H])[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C2([H])[H]	2500
[H]OC([H])([H])C([H])([H])[C@]([H])(OC([H])([H])C([H])([H])N1C([H])=C(C2=C([H])C([H])=C([H])C([H])=C12)C1=C(C(=O)N([H])C1=O)C1=C([H])N([H])C2=C1C([H])=C([H])C([H])=C2[H])[C@]1([H])O[C@]2(OC1([H])[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C2([H])[H]	2800
[H]N(C(=O)C(\C#N)=C(/[H])C1=C([H])C([H])=C(O1)C1=C([H])C([H])=C([H])C([H])=C1Cl)C1=C2C([H])=C([H])C([H])=NC2=C([H])C([H])=C1[H]	5500
[H]N(C(=O)C(\C#N)=C(/[H])C1=C([H])C([H])=C(O1)C1=C([H])C(Cl)=C([H])C([H])=C1Cl)C1=C2C([H])=C([H])C([H])=NC2=C([H])C([H])=C1[H]	3500
[H]N(C(=O)C(\C#N)=C(/[H])C1=C([H])C([H])=C(O1)C1=C([H])C([H])=C([H])C(=C1[H])C(F)(F)F)C1=C2C([H])=C([H])C([H])=NC2=C([H])C([H])=C1[H]	6000
[H]OC(=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])[H])C([H])([H])C1=C([H])N=C([H])N1[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])N([H])[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])N([H])C(=S)C([H])([H])[H])C([H])([H])C([H])(C([H])([H])[H])C([H])([H])[H])C([H])([H])C([H])([H])SC([H])([H])[H]	6400
[H]OC(=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])[H])C([H])([H])O[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])N([H])[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])N([H])C(=S)C([H])([H])[H])[C@]([H])(O[H])C([H])([H])[H])[C@@]([H])(C([H])([H])[H])C([H])([H])C([H])([H])[H]	6200
[H]OC(=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])[H])C([H])([H])C1=C([H])N=C([H])N1[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])N([H])[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])N([H])C(=S)C([H])([H])[H])[C@]([H])(O[H])C([H])([H])[H])[C@@]([H])(C([H])([H])[H])C([H])([H])C([H])([H])[H]	7600
[H]C1=C([H])C(Cl)=C(C([H])=C1[H])C(=O)[C@]1([H])C(=O)OC2=C(C3=C([H])C([H])=C([H])C([H])=C3C([H])=C2[H])C1([H])[H]	9400
CC(C)CC(=S)NCCCC[C@H](NC(=O)[C@H](C)NC(C)=O)C(=O)N[C@@H](C)C(O)=O	3600
CC(=[Se])NCCCC[C@H](NC(=O)OCC1=CC=CC=C1)C(=O)NC1=CC=CC=C1	2700
C[C@H](NC(=O)[C@H](CCCCNC(C)=[Se])NC(=O)[C@H](C)NC(C)=O)C(O)=O	7200
C[C@H](NC(=O)[C@H](CCCCNC(C)=S)NC(=O)[C@H](C)NC(C)=O)C(O)=O	9800
[H]N([H])C(=O)C1=C([H])C([H])=C([H])C([H])=C1N([H])C1=C([H])C([H])=C([H])C(OC([H])([H])C([H])([H])C2=C([H])C([H])=C([H])C([H])=C2[H])=C1[H]	1000
[H]N([H])C(=O)C1=C([H])C([H])=C([H])C([H])=C1N([H])C1=C([H])C([H])=C([H])C(OC([H])([H])C([H])([H])C([H])([H])C2=C([H])C([H])=C([H])C([H])=C2[H])=C1[H]	4300
[H]N([H])C(=O)C1=C([H])C([H])=C([H])C([H])=C1N([H])C1=C([H])C([H])=C([H])C(OC([H])([H])C([H])([H])C2=C([H])C([H])=C([H])C([H])=C2C([H])([H])[H])=C1[H]	1800
[H]N([H])C(=O)C1=C([H])C([H])=C([H])C([H])=C1N([H])C1=C([H])C([H])=C([H])C(OC([H])([H])C([H])([H])C2=C([H])C([H])=C([H])C(=C2[H])C([H])([H])[H])=C1[H]	1800
[H]N([H])C(=O)C1=C([H])C([H])=C([H])C([H])=C1N([H])C1=C([H])C([H])=C([H])C(OC([H])([H])C([H])([H])C2=C([H])C([H])=C(C([H])=C2[H])C([H])([H])[H])=C1[H]	1600
[H]N([H])C(=O)C1=C([H])C([H])=C([H])C([H])=C1N([H])C1=C([H])C([H])=C([H])C(OC([H])([H])C([H])([H])C2=C([H])C([H])=C([H])C([H])=C2C(F)(F)F)=C1[H]	3100
[H]N([H])C(=O)C1=C([H])C([H])=C([H])C([H])=C1N([H])C1=C([H])C([H])=C([H])C(OC([H])([H])C([H])([H])C2=C([H])C([H])=C([H])C(=C2[H])C(F)(F)F)=C1[H]	2100
[H]N([H])C(=O)C1=C([H])C([H])=C([H])C([H])=C1N([H])C1=C([H])C([H])=C([H])C(OC([H])([H])C([H])([H])C2=C([H])C([H])=C(C([H])=C2[H])C(F)(F)F)=C1[H]	1400
[H]N([H])C(=O)C1=C([H])C([H])=C([H])C([H])=C1N([H])C1=C([H])C([H])=C([H])C(OC([H])([H])C([H])([H])C2=C([H])C([H])=C([H])C([H])=C2F)=C1[H]	2000
[H]N([H])C(=O)C1=C([H])C([H])=C([H])C([H])=C1N([H])C1=C([H])C([H])=C([H])C(OC([H])([H])C([H])([H])C2=C([H])C([H])=C([H])C(F)=C2[H])=C1[H]	570
[H]N([H])C(=O)C1=C([H])C([H])=C([H])C([H])=C1N([H])C1=C([H])C([H])=C([H])C(OC([H])([H])C([H])([H])C2=C([H])C([H])=C(F)C([H])=C2[H])=C1[H]	2700
[H]N([H])C(=O)C1=C([H])C([H])=C([H])C([H])=C1N([H])C1=C([H])C([H])=C([H])C(OC([H])([H])C([H])([H])C2=C([H])C([H])=C([H])C([H])=C2Cl)=C1[H]	1500
[H]N([H])C(=O)C1=C([H])C([H])=C([H])C([H])=C1N([H])C1=C([H])C([H])=C([H])C(OC([H])([H])C([H])([H])C2=C([H])C([H])=C([H])C(Cl)=C2[H])=C1[H]	2000
[H]N([H])C(=O)C1=C([H])C([H])=C([H])C([H])=C1N([H])C1=C([H])C([H])=C([H])C(OC([H])([H])C([H])([H])C2=C([H])C([H])=C(Cl)C([H])=C2[H])=C1[H]	830
[H]N([H])C(=O)C1=C([H])C([H])=C([H])C([H])=C1N([H])C1=C([H])C([H])=C([H])C(OC([H])([H])C([H])([H])C2=C([H])C([H])=C([H])C([H])=C2Br)=C1[H]	1100
[H]N([H])C(=O)C1=C([H])C([H])=C([H])C([H])=C1N([H])C1=C([H])C([H])=C([H])C(OC([H])([H])C([H])([H])C2=C([H])C([H])=C([H])C(Br)=C2[H])=C1[H]	3400
[H]N([H])C(=O)C1=C([H])C([H])=C([H])C([H])=C1N([H])C1=C([H])C([H])=C([H])C(OC([H])([H])C([H])([H])C2=C([H])C([H])=C(Br)C([H])=C2[H])=C1[H]	1200
[H]N(C(=O)[C@@]([H])(N([H])C(=O)[C@@]([H])(N([H])C(=O)[C@@]([H])(N([H])C(=O)C([H])([H])[H])C([H])([H])[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])N([H])C(=S)C([H])([H])[H])C([H])([H])[H])C([H])([H])[H]	2900
[H]OC(=O)[C@@]([H])(N([H])C(=O)[C@@]([H])(N([H])C(=O)[C@@]([H])(N([H])C(=O)OC(C([H])([H])[H])(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(=S)C([H])([H])[H])C([H])([H])[H]	6500
[H]OC1=C(N([H])C(=O)[C@@]([H])(N([H])C(=O)OC([H])([H])C2=C([H])C([H])=C([H])C([H])=C2[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])N([H])C(=S)C([H])([H])[H])C([H])=C([H])C([H])=C1[H]	7400
[H]N(C(=S)C([H])([H])[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[C@]([H])(N([H])C(=O)OC([H])([H])C1=C([H])C([H])=C([H])C([H])=C1[H])C(=O)N([H])C([H])([H])C(=O)C1=C([H])C([H])=C([H])C([H])=C1[H]	4300
[H]OC(=O)[C@@]([H])(N([H])C(=O)[C@@]([H])(N([H])[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])N([H])C(=S)C([H])([H])[H])C([H])([H])[H]	2000
[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])[H])C([H])([H])C([H])([H])C([H])([H])N([H])C(=O)C([H])([H])[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])N([H])C(=S)C([H])([H])[H])C([H])([H])C([H])([H])C([H])([H])N([H])C(=O)C([H])([H])[H]	2900
[H]N1C(=S)N(C2=C1C([H])=C(C([H])=C2[H])[N+]([O-])=O)C([H])([H])C([H])([H])[N+]([H])([H])[H]	5000
[H]C1=C([H])C2=C([H])C(=C([H])C([H])=C2C2=C1OC(=O)C([H])([H])[C@]2([H])C1=C([H])C([H])=C(C([H])=C1[H])C([H])([H])[H])C([H])([H])[H]	1000
[H]N1C(=S)N([H])C(=O)C(=C([H])C2=C([H])C([H])=C(C([H])=C2[H])C2=C([H])C([H])=C([H])C([H])=C2[H])C1=O	8700
[H]N(C(=S)N([H])C1=C([H])C([H])=C(N([H])C(=O)C([H])([H])C([H])([H])C([H])([H])C([H])([H])N(C([H])([H])[H])C([H])([H])[H])C([H])=C1[H])C(=O)C1=C([H])C([H])=C(C([H])=C1[H])C([H])([H])C([H])([H])C([H])([H])[H]	7850
[H]N(C(=S)N([H])C1=C([H])C([H])=C(N([H])C(=O)C([H])([H])C([H])([H])C([H])([H])C([H])([H])N(C([H])([H])[H])C([H])([H])[H])C([H])=C1[H])C(=O)C1=C([H])C([H])=C(C([H])=C1[H])C([H])(C([H])([H])[H])C([H])([H])[H]	5710
[H]N(C(=S)N([H])C1=C([H])C([H])=C(N([H])C(=O)C([H])([H])C([H])([H])C([H])([H])C([H])([H])N(C([H])([H])[H])C([H])([H])[H])C([H])=C1[H])C(=O)C1=C([H])C([H])=C(C([H])=C1[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H]	8600
[H]N(C(=S)N([H])C1=C([H])C([H])=C(N([H])C(=O)C([H])([H])C([H])([H])C([H])([H])C([H])([H])N(C([H])([H])[H])C([H])([H])[H])C([H])=C1[H])C(=O)C1=C([H])C([H])=C(C([H])=C1[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H]	5600
[H]N(C(=S)N([H])C1=C([H])C([H])=C(N([H])C(=O)C([H])([H])C([H])([H])C([H])([H])C([H])([H])N(C([H])([H])[H])C([H])([H])[H])C([H])=C1[H])C(=O)C1=C([H])C(Br)=C(C([H])=C1[H])C(C([H])([H])[H])(C([H])([H])[H])C([H])([H])[H]	4600
[H]N1C(=O)C([H])([H])[C@]([H])(C2=C([H])C([H])=C([H])C([H])=C2[H])C2=C1C([H])=C([H])C1=C([H])C(Br)=C([H])C([H])=C21	6400
[H]C1=C([H])C(=C([H])C(Br)=C1[H])[C@]1([H])C2=C(OC(=O)C1([H])[H])C([H])=C([H])C1=C([H])C(=C([H])C([H])=C21)C([H])([H])[H]	9800
[H]C1=C([H])C(=C([H])C(=C1[H])C([H])([H])[H])[C@]1([H])C2=C(OC(=O)C1([H])[H])C([H])=C([H])C1=C([H])C(=C([H])C([H])=C21)C([H])([H])[H]	4400
[H]C1=C([H])C(=C([H])C(C#N)=C1[H])[C@]1([H])C2=C(OC(=O)C1([H])[H])C([H])=C([H])C1=C([H])C(=C([H])C([H])=C21)C([H])([H])[H]	3100
[H]C1=C([H])C2=C([H])C(=C([H])C([H])=C2C2=C1OC(=O)C([H])([H])[C@]2([H])C1=C([H])C(F)=C(C([H])=C1[H])C([H])([H])[H])C([H])([H])[H]	3400
[H]C1=C([H])C([H])=C(C([H])=C1[H])[C@]1([H])C2=C(OC(=O)C1([H])[H])C([H])=C([H])C1=C([H])C(=C([H])C([H])=C21)C([H])([H])[H]	7000
[H]C1=C([H])C2=C([H])C(Br)=C([H])C([H])=C2C2=C1OC(=O)C([H])([H])[C@]2([H])C1=C([H])C(F)=C(C([H])=C1[H])C([H])([H])[H]	2000
[H]C1=C([H])C2=C([H])C(Br)=C([H])C([H])=C2C2=C1OC(=O)C([H])([H])[C@]2([H])C1=C([H])C(Cl)=C(C([H])=C1[H])C([H])([H])[H]	2300
[H]C1=C([H])C(=C([H])C(OC([H])([H])[H])=C1[H])[C@]1([H])C2=C(OC(=O)C1([H])[H])C([H])=C([H])C1=C([H])C(Br)=C([H])C([H])=C21	2300
[H]C1=C([H])C(=C([H])C(F)=C1[H])[C@]1([H])C2=C(OC(=O)C1([H])[H])C([H])=C([H])C1=C([H])C(Br)=C([H])C([H])=C21	3200
[H]C1=C([H])C(=C([H])C([H])=C1F)[C@]1([H])C2=C(OC(=O)C1([H])[H])C([H])=C([H])C1=C([H])C(Br)=C([H])C([H])=C21	7900
[H]C1=C([H])C(=C([H])C([H])=C1OC([H])([H])[H])[C@]1([H])C2=C(OC(=O)C1([H])[H])C([H])=C([H])C1=C([H])C(Br)=C([H])C([H])=C21	5400
[H]C1=C([H])C2=C([H])C(Br)=C([H])C([H])=C2C2=C1OC(=O)C([H])([H])[C@]2([H])C1=C([H])C([H])=C(C([H])=C1[H])C([H])([H])[H]	1500
[H]C1=C([H])C([H])=C(C([H])=C1[H])[C@]1([H])C2=C(OC(=O)C1([H])[H])C([H])=C([H])C1=C([H])C(Br)=C([H])C([H])=C21	3100
[H]OS(=O)(=O)C1=C([H])C2=C(C(N([H])C(=O)C3=C([H])C([H])=C(C(N([H])C(=O)C4=C([H])C([H])=C([H])C(N([H])C(=O)N([H])C5=C([H])C([H])=C([H])C(=C5[H])C(=O)N([H])C5=C(C([H])=C([H])C(=C5[H])C(=O)N([H])C5=C([H])C([H])=C(C6=C([H])C(=C([H])C(=C56)S(=O)(=O)O[H])S(=O)(=O)O[H])S(=O)(=O)O[H])C([H])([H])[H])=C4[H])=C3[H])C([H])([H])[H])=C([H])C([H])=C2S(=O)(=O)O[H])C(=C1[H])S(=O)(=O)O[H]	1150
[H]C1=C(Br)C2=C(C([H])=C1Cl)C(=O)C([H])([H])[C@]([H])(O2)C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H]	4300
[H]C1=C(Br)C2=C(C([H])=C1Cl)C(=O)C([H])=C(O2)C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H]	5500
[H]C1=C([H])C([H])=C(C([H])=C1[H])C([H])([H])C([H])([H])[C@@]1([H])OC2=C(C([H])=C(Cl)C([H])=C2Br)C(=O)C1([H])[H]	6800
[H]C1=C(C([H])=C(C2=C1C(=O)C([H])([H])[C@]([H])(O2)C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])C([H])([H])[H])C([H])([H])[H]	6200
[H]C1=C(Br)C2=C(C([H])=C1Br)C(=O)C([H])([H])[C@]([H])(O2)C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H]	1500
[H]N1C(=S)N([H])C(=O)C(=C([H])C2=C([H])C([H])=C([H])C3=C([H])C([H])=C([H])C([H])=C23)C1=O	9500
[H]N(C(=O)N([H])C1=C([H])C([H])=C([H])C(=C1[H])C(=O)N([H])C1=C(C([H])=C([H])C(=C1[H])C(=O)N([H])C1=C([H])C([H])=C(C2=C([H])C(=C([H])C(=C12)S([O-])(=O)=O)S([O-])(=O)=O)S([O-])(=O)=O)C([H])([H])[H])C1=C([H])C(=C([H])C([H])=C1[H])C(=O)N([H])C1=C([H])C(=C([H])C([H])=C1C([H])([H])[H])C(=O)N([H])C1=C2C(C([H])=C(C([H])=C2S([O-])(=O)=O)S([O-])(=O)=O)=C(C([H])=C1[H])S([O-])(=O)=O	1200
CC1=C(SC2=C(N=CN=C12)N1CCC(CCNC(=O)C(C)(C)C)CC1)C(N)=O	130
CC(C)(C)C(=O)NCCC1CCN(CC1)C1=C2SC(=CC2=CC=N1)C(N)=O	300
CC(C)(C)C(=O)NCCC1CCN(CC1)C1=C2SC(=CC2=NC=C1)C(N)=O	28
CC(C)(C)C(=O)NCCC1CCN(CC1)C1=C2OC(=CC2=NC=N1)C(N)=O	150
NC(=O)C1=CC2=NC=NC(N3CCN(CCN4CCCC4)CC3)=C2S1	29
NC(=O)C1=CC2=NC=NC(N3CCC(CCN4CCCC4)CC3)=C2S1	67
NC(=O)C1=CC2=NC=NC(N3CCC(CN4CCCC4)CC3)=C2S1	220
CS(=O)(=O)NCCN1CCN(CC1)C1=C2SC(=CC2=NC=N1)C(N)=O	53
CS(=O)(=O)NCCC1CCN(CC1)C1=C2SC(=CC2=NC=N1)C(N)=O	1.1
CC(C)(C)C(=O)NCCN1CCN(CC1)C1=C2SC(=CC2=NC=N1)C(N)=O	17
CC(C)(C)C(=O)NCCCC1CCN(CC1)C1=C2SC(=CC2=NC=N1)C(N)=O	16
CC(C)(C)C(=O)NCCC1CCN(CC1)C1=C2SC(=CC2=NC=N1)C(N)=O	10
CC(C)(C)C(=O)NCC1CCN(CC1)C1=C2SC(=CC2=NC=N1)C(N)=O	740
CC(=S)NCCN1CCN(CC1)C1=C2SC(=CC2=NC=N1)C(N)=O	130
CC(=S)NCCC1CCN(CC1)C1=C2SC(=CC2=NC=N1)C(N)=O	30
CC(=O)NCCN1CCN(CC1)C1=C2SC(=CC2=NC=N1)C(N)=O	170
CC(=O)NCC1CCN(CC1)C1=C2SC(=CC2=NC=N1)C(N)=O	2800
NC(=O)C1=CC2=NC=NC(N3CCCCC3)=C2S1	1400
NCCC1CCN(CC1)C1=C2SC(=CC2=NC=N1)C(N)=O	110
CC(=O)NCCC1CCN(CC1)C1=C2SC(=CC2=NC=N1)C(N)=O	23
CC(C)(C)OC(=O)NCCC1CCN(CC1)C1=C2SC(=CC2=NC=N1)C(N)=O	5.4
NC(=O)C1=CC2=NC=NC(N3CCC(CCNC(=O)C4=CC=CS4)CC3)=C2S1	6.5
NC(=O)C1=CC2=NC=NC(N3CCC(CCNC(=O)C4=CC=C(S4)C(O)=O)CC3)=C2S1	4.4
CC(C)(C)OC(=O)C1=CC=C(S1)C(=O)NCCC1CCN(CC1)C1=C2SC(=CC2=NC=N1)C(N)=O	1.8
CCNC(=O)C1=CC=C(S1)C(=O)NCCN1CCN(CC1)C1=C2SC(=CC2=NC=N1)C(N)=O	4.8
CCNC(=O)C1=CC=C(S1)C(=O)NCCC1CCN(CC1)C1=C2SC(=CC2=NC=N1)C(N)=O	2.7
CCNC(=O)C1=CC(=CC=C1)C(=O)NCCN1CCN(CC1)C1=C2SC(=CC2=NC=N1)C(N)=O	10
CCNC(=O)C1=CC(=CC=C1)C(=O)NCCC1CCN(CC1)C1=C2SC(=CC2=NC=N1)C(N)=O	1.3