smile	binding.affinity
[H]C1=C(OC2=C1C1=C([H])C([H])=C([H])C([H])=C1C([H])=C2OC([H])([H])[H])[N+]([O-])=O	1470
[H]OC1=C([H])C([H])=C2C3=C(OC(=C3[H])[N+]([O-])=O)C([H])=C([H])C2=C1[H]	1950
[H]OC([H])([H])C([H])([H])C1=C(OC2=C1C1=C([H])C([H])=C([H])C([H])=C1C([H])=C2[H])[N+]([O-])=O	1220
[H]C1=C([H])C([H])=C2C3=C(OC(=C3C([H])([H])[H])[N+]([O-])=O)C([H])=C([H])C2=C1[H]	1280
[H]C1=C(OC2=C1C1=C([H])C(OC([H])([H])[H])=C([H])C([H])=C1C([H])=C2[H])[N+]([O-])=O	2330
[H]C1=C(OC2=C1C1=C([H])C([H])=C([H])C([H])=C1C([H])=C2[H])[N+]([O-])=O	2090
[H]C1=C(OC2=C1C1=C([H])C([H])=C(OC([H])([H])[H])C([H])=C1C([H])=C2[H])[N+]([O-])=O	2570
[H]OC1=C([H])C([H])=C([H])C(\C([H])=C(\C(=O)N([H])C2=C([H])C([H])=C(Cl)C([H])=C2[H])C2=NC3=C([H])C([H])=C([H])C([H])=C3S2)=C1[H]	4662
[H]\C(=C(\[H])C1=C([H])C([H])=C([H])C([H])=C1[H])C(=O)C1=C(N=C(S1)C1=C([H])C([H])=C([H])C([H])=C1[H])C([H])([H])[H]	3430
[H]N1C(=NC2=C([H])C([H])=C([H])C([H])=C12)[C@]([H])(N1C(=O)C(=NC2=C([H])C([H])=C([H])C([H])=C12)C1=C([H])C([H])=C([H])O1)C([H])([H])[H]	2927
[H]N(C(=O)[C@@]([H])(N1C(=O)C(=NC2=C([H])C([H])=C([H])C([H])=C12)C1=C([H])C([H])=C([H])O1)C1=C([H])C([H])=NC2=C([H])C([H])=C([H])C([H])=C12)C(C([H])([H])[H])(C([H])([H])[H])C([H])([H])[H]	3179
[H]N1C(=S)N([H])C(=O)[C@]2(C1=O)[C@@]([H])(N([H])C(=S)N([H])[C@]2([H])C1=C([H])C([H])=C([H])C([H])=C1[H])C1=C([H])C([H])=C([H])C([H])=C1[H]	5814
[H]OC1=C(C([H])=C([H])C2=C([H])C([H])=C([H])C([H])=C12)[C@]([H])(N1C([H])([H])C([H])([H])C([H])([H])C([H])([H])C1([H])[H])C1=C([H])C([H])=C([H])C([H])=C1[H]	828.21
[H]N(C(=O)[C@@]([H])(N1C(=O)C(=NC2=C([H])C([H])=C([H])C([H])=C12)C1=C([H])C([H])=C([H])O1)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]	2929
[H]N1C(=O)N(C(=O)\C(=C(\[H])/C(/[H])=C(\[H])C2=C([H])C([H])=C([H])O2)C1=O)C([H])([H])C1=C([H])C([H])=C([H])C([H])=C1[H]	1588
[H]N(C(=O)[C@@]([H])(N1C(=O)C(=NC2=C([H])C([H])=C([H])C([H])=C12)C1=C([H])C([H])=C([H])O1)C1=C([H])C([H])=C([H])C2=C([H])C([H])=C([H])C([H])=C12)C(C([H])([H])[H])(C([H])([H])[H])C([H])([H])[H]	2273
[H]N(C(=O)[C@@]([H])(N1C(=O)C(=NC2=C([H])C([H])=C([H])C([H])=C12)C1=C([H])C([H])=C([H])O1)C1=C([H])C([H])=C([H])C([H])=C1F)C1=C(C([H])=C([H])C([H])=C1C([H])([H])[H])C([H])([H])[H]	2484
[H]\C(=C(/[H])[N+]([O-])=O)C1=C([H])N(C2=C([H])C([H])=C([H])C([H])=C12)C([H])([H])C1=C([H])C([H])=C(O1)C(=O)OC([H])([H])[H]	6726
[H]N(C(=O)[C@@]([H])(N1C(=O)C(=NC2=C([H])C([H])=C([H])C([H])=C12)C1=C([H])C([H])=C([H])O1)C1=C([H])C([H])=C([H])C2=C([H])C([H])=C([H])C([H])=C12)C([H])([H])C1=C([H])C([H])=C([H])C([H])=C1[H]	2775
[H]N(C(=O)[C@@]([H])(N1C(=O)C(=NC2=C([H])C([H])=C([H])C([H])=C12)C1=C([H])C([H])=C([H])O1)C1([H])C([H])([H])C1([H])[H])C([H])([H])C1=C([H])C([H])=C([H])C([H])=C1[H]	6091
[H]N1C(=O)N(C(=O)\C(=C(/[H])C2=C([H])C([H])=C(OC3=NC([H])=C(C([H])=C3[H])[N+]([O-])=O)C([H])=C2[H])C1=O)C1=C([H])C([H])=C([H])C([H])=C1F	1878
[H]N1C(=O)C2=C(SC(=C2C([H])([H])[H])C([H])([H])[H])N=C1\C(=C(/[H])C1=C([H])C([H])=C(Cl)C([H])=C1[H])C(=O)OC([H])([H])C([H])([H])[H]	1556
[H]C1=C(C(=O)C2=C([H])C([H])=C([H])C([H])=C2[H])C2=C(O1)C1=C([H])C([H])=C([H])C([H])=C1C(=O)C2=O	3454
[H]\C(=C(\[H])C1=C([H])C([H])=C([H])C([H])=C1OC([H])([H])[H])C(=O)C(\[H])=C(/[H])C1=C([H])C([H])=C([H])C([H])=C1OC([H])([H])[H]	6464
[H]\C(=C1/C(=O)[C@@]([H])(C([H])([H])N2C([H])([H])C([H])([H])C([H])([H])C2([H])[H])C([H])([H])C1([H])[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H]	2254
[H]N(C(=O)[C@]([H])(N1C(=O)C(=NC2=C([H])C([H])=C([H])C([H])=C12)C1=C([H])C([H])=C([H])O1)C1=C([H])C([H])=C(C([H])=C1[H])C1=C([H])C([H])=C([H])C([H])=C1[H])C(C([H])([H])[H])(C([H])([H])[H])C([H])([H])[H]	1909
[H]N(C(=O)[C@]([H])(N1C(=O)C(=NC2=C([H])C([H])=C([H])C([H])=C12)C1=C([H])C([H])=C([H])O1)C1=C([H])C([H])=NC([H])=C1[H])C(C([H])([H])[H])(C([H])([H])[H])C([H])([H])[H]	8025
[H]N(C(=O)[C@@]([H])(N1C(=O)C(=NC2=C([H])C([H])=C([H])C([H])=C12)C1=C([H])C([H])=C([H])O1)C1=C([H])C([H])=C(C([H])=C1[H])C(F)(F)F)C1=C(C([H])=C([H])C([H])=C1C([H])([H])[H])C([H])([H])[H]	2558
[H]N(C(=O)[C@@]([H])(N1C(=O)C(=NC2=C([H])C([H])=C([H])C([H])=C12)C1=C([H])C([H])=C([H])O1)C1=C([H])C([H])=C([H])C([H])=C1[H])C1=C(C([H])=C([H])C([H])=C1C([H])([H])[H])C([H])([H])[H]	3810
[H]N(C(=O)C1=NC(=NC([H])=C1Cl)S(=O)(=O)C([H])([H])C1=C([H])C([H])=C(C([H])=C1[H])C([H])([H])[H])C1=NN=C(SC([H])([H])[H])S1	4935
[H]N(C(=O)C1=NC(=NC([H])=C1Cl)S(=O)(=O)C([H])([H])C1=C([H])C([H])=C(C([H])=C1[H])C([H])([H])[H])C1=NN=C(S1)C([H])(C([H])([H])[H])C([H])([H])[H]	3270
[H]N(C(=O)[C@@]([H])(N1C(=O)C(=NC2=C([H])C([H])=C([H])C([H])=C12)C1=C([H])C([H])=C([H])O1)C1=C([H])C([H])=C(C#N)C([H])=C1[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H]	3237
[H]N(C(=O)[C@]([H])(N1C(=O)C(=NC2=C([H])C([H])=C([H])C([H])=C12)C1=C([H])C([H])=C([H])O1)C1=C([H])C2=C([H])C([H])=C([H])C([H])=C2O1)C(C([H])([H])[H])(C([H])([H])[H])C([H])([H])[H]	1861
[H]N(C(=O)[C@@]([H])(N1C(=O)C(=NC2=C([H])C([H])=C([H])C([H])=C12)C1=C([H])C([H])=C([H])O1)C1=C([H])C([H])=NC2=C([H])C([H])=C([H])C([H])=C12)C1=C(C([H])=C([H])C([H])=C1C([H])([H])[H])C([H])([H])[H]	3641
[H]N(C(=S)N([H])C1=C(OC([H])([H])[H])C([H])=C2C(OC3=C([H])C([H])=C([H])C([H])=C23)=C1[H])C(=O)C(\[H])=C(/[H])C1=C([H])C(OC([H])([H])[H])=C(OC([H])([H])[H])C([H])=C1[H]	1417
[H]C1=C([H])C([H])=C(C([H])=C1[H])[C@]1([H])N(C([H])([H])[C@@]2([H])C3=C(C([H])=C(OC([H])([H])C([H])([H])[H])[C@@]12[H])C(=O)C([H])=C(Cl)C3=O)S(=O)(=O)C1=C([H])C([H])=C(C([H])=C1[H])C([H])([H])[H]	813.65
[H]N(C(=O)C1=NC(=NC([H])=C1Cl)S(=O)(=O)C([H])([H])C1=C([H])C([H])=C(F)C([H])=C1[H])C1=NN=C(S1)C([H])(C([H])([H])[H])C([H])([H])[H]	4694
[H]N(C(=O)[C@@]([H])(N1C(=O)C(=NC2=C([H])C([H])=C([H])C([H])=C12)C1=C([H])C([H])=C([H])O1)C1=C([H])C([H])=C(C#N)C([H])=C1[H])C1=C(C([H])=C([H])C([H])=C1C([H])([H])[H])C([H])([H])[H]	1858
[H]N(C(=O)[C@@]([H])(N1C(=O)C(=NC2=C([H])C([H])=C([H])C([H])=C12)C1=C([H])C([H])=C([H])O1)C1=C([H])C([H])=C(C([H])=C1[H])C(F)(F)F)C([H])([H])C1=C([H])C([H])=C([H])C([H])=C1[H]	2024
[H]\C(SC1=C([H])C([H])=C([H])C([H])=C1[H])=C(\[H])C(=O)C1=C([H])C([H])=C(Cl)C([H])=C1[H]	6307
[H]N(C(=O)[C@]([H])(N1C(=O)C(=NC2=C([H])C([H])=C([H])C([H])=C12)C1=C([H])C([H])=C([H])O1)C1=C([H])C([H])=C(C([H])=C1[H])C(F)(F)F)C(C([H])([H])[H])(C([H])([H])[H])C([H])([H])[H]	1811
[H]N(C(=O)[C@@]([H])(N1C(=O)C(=NC2=C([H])C([H])=C([H])C([H])=C12)C1=C([H])C([H])=C([H])O1)C1=C([H])C([H])=C([H])C2=C([H])C([H])=C([H])C([H])=C12)C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H]	2827
[H]C1=C([H])C([H])=C(C([H])=C1[H])C(=C(\C1=C([H])C([H])=C([H])C([H])=C1[H])C([H])([H])C([H])([H])Cl)\C1=C([H])C([H])=C(OC([H])([H])C([H])([H])N(C([H])([H])[H])C([H])([H])[H])C([H])=C1[H]	7866
[H]N(C(=O)[C@]([H])(N([H])S(=O)(=O)C1=C([H])C([H])=C(OC([H])([H])[H])C([H])=C1[H])C([H])([H])[H])C1=C([H])C([H])=C([H])C([H])=C1C(F)(F)F	3883
[H]N(C(=O)[C@@]([H])(N1C(=O)C(=NC2=C([H])C([H])=C([H])C([H])=C12)C1=C([H])C([H])=C([H])O1)C1=C([H])C([H])=C(OC([H])([H])[H])C([H])=C1[H])C1=C(C([H])=C([H])C([H])=C1C([H])([H])[H])C([H])([H])[H]	2423
[H]N(C(=O)[C@]([H])(N1C(=O)C(=NC2=C([H])C([H])=C([H])C([H])=C12)C1=C([H])C([H])=C([H])O1)C1=C([H])C([H])=C(C([H])=C1[H])C(F)(F)F)C1([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C1([H])[H]	2414
[H]O[C@](C1=C([H])C([H])=C([H])C([H])=C1[H])(C([H])([H])C(=O)C(\[H])=C(\[H])C1=C([H])C([H])=C(OC([H])([H])[H])C([H])=C1[H])C(F)(F)F	3933
[H]N(N([H])C1=C(C([H])=C(C([H])=C1[H])[N+]([O-])=O)[N+]([O-])=O)C(\[H])=C1/N=C([H])C(=C1[H])C(=O)C([H])([H])Cl	3203
[H]N(C(=O)[C@@]([H])(N1C(=O)C(=NC2=C([H])C([H])=C([H])C([H])=C12)C1=C([H])C([H])=C([H])O1)C1([H])C([H])([H])C1([H])[H])C(C([H])([H])[H])(C([H])([H])[H])C([H])([H])[H]	1721
[H]OC1=C(C([H])=C(C([H])=C1[H])C([H])([H])[H])C(=O)C(\[H])=C(/[H])C1=C([H])C2=C(OC([H])([H])C([H])([H])C([H])([H])O2)C([H])=C1[H]	6110
[H]N(C(=O)[C@]([H])(N1C(=O)C(=NC2=C([H])C([H])=C([H])C([H])=C12)C1=C([H])C([H])=C([H])O1)C1=C([H])C([H])=NC2=C([H])C([H])=C([H])C([H])=C12)C1([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C1([H])[H]	2231
[H]N1C2=C(C([H])=C(OC(=O)C([H])([H])N3C(=O)C([H])([H])C([H])([H])C3=O)C([H])=C2[H])C(=C([H])C1(C([H])([H])[H])C([H])([H])[H])C([H])([H])[H]	9334
[H]N(C(=O)C1=NC(=NC([H])=C1Cl)S(=O)(=O)C([H])([H])C1=C([H])C([H])=C([H])C(=C1[H])C([H])([H])[H])C1=NN=C(S1)C([H])([H])C([H])([H])C([H])([H])[H]	5708
[H]N(C(=O)[C@]([H])(N1C(=O)C(=NC2=C([H])C([H])=C([H])C([H])=C12)C1=C([H])C([H])=C([H])O1)C1=C([H])C2=C([H])C([H])=C([H])C([H])=C2O1)C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H]	2005
[H]OC(=O)C1=C([H])C([H])=C([H])C([H])=C1C1=C([H])C([H])=C([H])C([H])=C1C(=O)N([H])C1=C([H])C([H])=C(\C([H])=C(/[H])C(=O)C2=C([H])C([H])=C([H])C([H])=C2[H])C([H])=C1[H]	8665
[H]C1=C([H])C([H])=C2C(=O)C(SC3=C([H])C([H])=C(C([H])=C3[H])C([H])([H])[H])=C(SC3=C([H])C([H])=C(C([H])=C3[H])C([H])([H])[H])C(=O)C2=C1[H]	1380
[H]OC1=C(C2=C(OC(=C2C(=O)OC([H])([H])C([H])([H])[H])C([H])([H])[H])C2=C([H])C([H])=C([H])C([H])=C12)C([H])([H])N1C([H])([H])C([H])([H])N(C([H])([H])C([H])([H])O[H])C([H])([H])C1([H])[H]	2312
[H]N(C(=O)[C@@]([H])(N1C(=O)C(=NC2=C([H])C([H])=C([H])C([H])=C12)C1=C([H])C([H])=C([H])O1)C1=C([H])C([H])=C(OC([H])([H])[H])C([H])=C1[H])C([H])([H])C1=C([H])C([H])=C([H])C([H])=C1[H]	2459
[H]N(C(=O)[C@]1([H])[C@]([H])(C(=O)OC([H])([H])C([H])([H])[H])[C@@]1([H])C(=O)N([H])C([H])(C([H])([H])[H])C([H])([H])[H])C1=C([H])C([H])=C([H])C(=C1[H])C(F)(F)F	4566
[H]N(C(=O)C1=NC(=NC([H])=C1Cl)S(=O)(=O)C([H])([H])C1=C([H])C([H])=C(F)C([H])=C1[H])C1=NN=C(SC([H])([H])C([H])([H])[H])S1	5506
[H]N(C(=O)[C@]([H])(N1C(=O)C(=NC2=C([H])C([H])=C([H])C([H])=C12)C1=C([H])C([H])=C([H])O1)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])C([H])([H])C1([H])[H]	1751
[H]N(C(=O)C1=NC(=NC([H])=C1Cl)S(=O)(=O)C([H])([H])C1=C([H])C([H])=C([H])C([H])=C1[H])C1=NN=C(SC([H])([H])[H])S1	5518
[H]O[C@@](C1=C([H])C([H])=C([H])C([H])=C1[H])(C([H])([H])C(=O)C(\[H])=C(/[H])C1=C([H])C([H])=C([H])C([H])=C1[H])C(F)(F)C([H])(F)F	2271
[H]N(C(=O)[C@@]([H])(N1C(=O)C(=NC2=C([H])C([H])=C([H])C([H])=C12)C1=C([H])C([H])=C([H])O1)C1([H])C([H])([H])C1([H])[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H]	6107
[H]C#CC([H])([H])N(C([H])([H])[C@@]1([H])N2N(C(=O)C([H])=C([H])C2=O)C([H])([H])[C@]([H])(OC(=O)N([H])C2=C([H])C([H])=C([H])S2)[C@]1([H])OC(=O)N([H])C1=C([H])C([H])=C([H])S1)S(=O)(=O)C1=C([H])C([H])=C(C([H])=C1[H])C([H])([H])[H]	5605
[H]N(C(=O)[C@]([H])(N1C(=O)C(=NC2=C([H])C([H])=C([H])C([H])=C12)C1=C([H])C([H])=C([H])O1)C1=C([H])C([H])=C([H])C([H])=C1F)C1([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C1([H])[H]	1839
[H]N1C(=NC2=C([H])C([H])=C([H])C([H])=C12)[C@@]([H])(N1C(=O)C(=NC2=C([H])C([H])=C([H])C([H])=C12)C1=C([H])C([H])=C([H])O1)C([H])([H])C([H])([H])[H]	3788
[H]N(C(=O)[C@]([H])(N1C(=O)C(=NC2=C([H])C([H])=C([H])C([H])=C12)C1=C([H])C([H])=C([H])O1)C1=C([H])C([H])=C([H])C2=C([H])C([H])=C([H])C([H])=C12)C1([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C1([H])[H]	1483
[H]N(C(=O)C1=C([H])C(\C([H])=C(/[H])C2=C([H])N=C(N([H])C3=C([H])C(=NC(=N3)C([H])([H])[H])N3C([H])([H])C([H])([H])N([H])C([H])([H])C3([H])[H])C([H])=N2)=C(C([H])=C1[H])C([H])([H])[H])C1=C([H])C(=C(C([H])=C1[H])C([H])([H])N1C([H])([H])C([H])([H])N(C([H])([H])C([H])([H])[H])C([H])([H])C1([H])[H])C(F)(F)F	5885
[H]\C(=C1/C(=O)/C(=C(\[H])C2=C([H])N=C([H])C([H])=C2[H])C([H])([H])C1([H])[H])C1=C([H])N=C([H])C([H])=C1[H]	7461
[H]C1=C([H])C([H])=C(O1)C([H])([H])N1C(=O)C([H])=C(S\C1=N/C1=C([H])C([H])=C(F)C([H])=C1[H])C(=O)OC([H])([H])[H]	5671
[H]C1=NN(C([H])=C1C([H])([H])[H])C1=NC(=C([H])C(=N1)C1=C([H])C([H])=C([H])C([H])=C1[H])C1=C([H])C([H])=C([H])C([H])=C1[H]	2561
[H]C1=C([H])C([H])=C2C(=O)C(=O)C3=C(OC(=C3C(=O)C3=C([H])C([H])=C(Cl)C([H])=C3[H])C([H])([H])[H])C2=C1[H]	3576
[H]O\C(=C1/C(=O)C(=O)O[C@]1([H])C1=C([H])C([H])=C(Cl)C([H])=C1[H])C1=C([H])C([H])=C(C([H])=C1[H])C([H])([H])[H]	8812
[H]C1=C([H])C(=C([H])C([H])=C1Cl)[C@]1([H])OC2=C(C([H])=C(Cl)C([H])=C2[H])C(=O)C1([H])[H]	6144
[H]N1C2=C(C([H])=C(OC(=O)C([H])([H])N3C(=O)C4=C([H])C([H])=C([H])C5=C4C(=C([H])C([H])=C5[H])C3=O)C([H])=C2[H])C(=C([H])C1(C([H])([H])[H])C([H])([H])[H])C([H])([H])[H]	6952
[H]N(C(=O)C1=NC(=NC([H])=C1Cl)S(=O)(=O)C([H])([H])C1=C([H])C([H])=C([H])C([H])=C1F)C1=NN=C(SC([H])([H])[H])S1	3982
[H]OC1=C(C([H])=C(C([H])=C1[H])C([H])([H])[H])C(=O)C(\[H])=C(/[H])C1=C([H])C([H])=C([H])C([H])=C1[H]	4005
[H]OC1=C(OC([H])([H])[H])C([H])=C(\C([H])=C(/[H])C(=O)C2=C([H])C([H])=C(Cl)S2)C([H])=C1OC([H])([H])[H]	6660
[H]N(C(=O)[C@]([H])(N1C(=O)C(=NC2=C([H])C([H])=C([H])C([H])=C12)C1=C([H])C([H])=C([H])O1)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]	816.58
[H]N(C(=O)[C@@]([H])(N1C(=O)C(=NC2=C([H])C([H])=C([H])C([H])=C12)C1=C([H])C([H])=C([H])O1)C1=C([H])C([H])=C([H])C([H])=C1F)C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H]	970
[H]N1C2=C(C([H])=C(OC(=O)C([H])([H])N3C(=O)[C@@]4([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[C@@]4([H])C3=O)C([H])=C2[H])C(=C([H])C1(C([H])([H])[H])C([H])([H])[H])C([H])([H])[H]	4526
[H]OC1=C([H])C([H])=C(C([H])=C1[H])C(=O)C([H])([H])N1N=NC(=C1[H])C([H])([H])OC1=C([H])C([H])=C([H])C([H])=C1C#N	6358
[H]N1C(=NC2=C([H])C([H])=C([H])C([H])=C12)[C@@]([H])(N1C(=O)C(=NC2=C([H])C([H])=C([H])C([H])=C12)C1=C([H])C([H])=C([H])O1)C([H])([H])C([H])([H])C1=C([H])C([H])=C([H])C([H])=C1[H]	2540
[H]C#CC([H])([H])N(C([H])([H])[C@@]1([H])N2N(C(=O)C([H])=C([H])C2=O)C([H])([H])[C@]([H])(OC(=O)N([H])C([H])([H])C2=C([H])C([H])=C([H])C([H])=C2F)[C@]1([H])OC(=O)N([H])C([H])([H])C1=C([H])C([H])=C([H])C([H])=C1F)S(=O)(=O)C1=C([H])C([H])=C(C([H])=C1[H])C([H])([H])[H]	8929
[H]N(C(=O)[C@]([H])(N1C(=O)C(=NC2=C([H])C([H])=C([H])C([H])=C12)C1=C([H])C([H])=C([H])O1)C1=C([H])C([H])=C(C#N)C([H])=C1[H])C(C([H])([H])[H])(C([H])([H])[H])C([H])([H])[H]	1475
[H]OC1=C(OC([H])([H])C([H])([H])[H])C([H])=C(\C([H])=C2\C(=O)\C(=C(/[H])C3=C([H])C(OC([H])([H])C([H])([H])[H])=C(O[H])C(Cl)=C3[H])C([H])([H])C([H])([H])C2([H])[H])C([H])=C1Cl	6461
[H]N1C(=O)N(C(=O)\C(=C(\[H])/C(/[H])=C(\[H])C2=C([H])C([H])=C([H])O2)C1=O)C([H])([H])C1=C([H])C([H])=C(F)C([H])=C1[H]	1868
[H]OC1=C([H])C([H])=C(C([H])=C1[H])C(=O)C([H])([H])N1N=NC(=C1[H])C([H])([H])OC1=C([H])C([H])=C(OC([H])([H])[H])C([H])=C1[H]	6001
[H]N(C(=O)[C@@]([H])(N1C(=O)C(=NC2=C([H])C([H])=C([H])C([H])=C12)C1=C([H])C([H])=C([H])O1)C1([H])C([H])([H])C1([H])[H])C1([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C1([H])[H]	2173
[H]O[C@@]([H])(C([H])([H])[H])C([H])([H])C(=O)OC([H])([H])[C@@]12O[C@]([H])(C3=C([H])C(=O)O[C@]3([H])O[H])C([H])([H])[C@@]1([H])[C@]1(C([H])([H])[H])C([H])([H])C([H])([H])[C@@]3([H])C(C([H])([H])[H])(C([H])([H])[H])C([H])([H])C([H])([H])C([H])([H])[C@]3(C([H])([H])[H])[C@@]1([H])C([H])([H])C2([H])[H]	3526
[H]N(C(=O)[C@@]([H])(N1C(=O)C(=NC2=C([H])C([H])=C([H])C([H])=C12)C1=C([H])C([H])=C([H])O1)C1=C([H])C([H])=C(C([H])=C1[H])C(F)(F)F)C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H]	2854
[H]C1=C([H])C(\N=C2/SC(=C([H])C(=O)N2C2=C([H])C([H])=C(F)C([H])=C2[H])C(=O)OC([H])([H])[H])=C([H])C([H])=C1F	4101
[H]OC1=C([H])C([H])=C(C([H])=C1[H])C(=O)C([H])([H])N1N=NC(=C1[H])C([H])([H])OC1=C(C([H])=C([H])C([H])=C1C([H])([H])[H])C([H])([H])[H]	4783
[H]\C(=C(\[H])[N+]([O-])=O)C1=C([H])N(C2=C([H])C([H])=C([H])C([H])=C12)C([H])([H])C1=C([H])C([H])=C(F)C([H])=C1[H]	4485
[H]OC1=C([H])C([H])=C(C([H])=C1[H])C(=O)C([H])([H])N1N=NC(=C1[H])C([H])([H])OC1=C([H])C([H])=C(N([H])C(=O)C([H])([H])[H])C([H])=C1[H]	3990
[H]N1C2=C(C([H])=C(OC(=O)C3=C([H])N=C([H])C([H])=C3[H])C([H])=C2[H])C(=C([H])C1(C([H])([H])[H])C([H])([H])[H])C([H])([H])[H]	3217
[H]N(C(=O)C(\C#N)=C(/[H])C1=C([H])C(\C([H])=C(/C#N)C(=O)N([H])C([H])([H])C([H])([H])OC([H])([H])[H])=C([H])C([H])=C1[H])C([H])([H])C([H])([H])OC([H])([H])[H]	1506
[H]OC1=C(C2=C(C([H])=C1[H])C1=C([H])C([H])=C([H])C([H])=C1C(=O)O2)C([H])([H])N1C([H])([H])[C@@]([H])(O[C@]([H])(C([H])([H])[H])C1([H])[H])C([H])([H])[H]	2683
[H]OC1=C2C([H])=C(C(=O)C(=C([H])C2=C(O[H])C([H])=C1[H])C([H])([H])C1=C([H])C([H])=C(C([H])=C1[H])N(C([H])([H])[H])C([H])([H])[H])C([H])([H])C1=C([H])C([H])=C(C([H])=C1[H])N(C([H])([H])[H])C([H])([H])[H]	4599
[H]OC1=C(C([H])=C([H])C([H])=C([H])C1=O)C(=O)C(\[H])=C(/[H])C1=C(C([H])=C([H])C(=C1[H])C([H])([H])[H])C([H])([H])[H]	6559
[H]N(C(=O)[C@@]([H])(N1C(=O)C(=NC2=C([H])C([H])=C([H])C([H])=C12)C1=C([H])C([H])=C([H])O1)C1=C([H])C([H])=C(C#N)C([H])=C1[H])C1=C([H])C2=C(OC([H])([H])C([H])([H])O2)C([H])=C1[H]	9980
[H]C1=C([H])C([H])=C(C([H])=C1[H])S(=O)(=O)N(C(=O)C([H])([H])[H])C1=C([H])C(Br)=C(OC(=O)C([H])([H])[H])C2=C([H])C([H])=C([H])C([H])=C12	6113
[H]N(C(=O)[C@@]([H])(N1C(=O)C(=NC2=C([H])C([H])=C([H])C([H])=C12)C1=C([H])C([H])=C([H])O1)C1=C([H])C([H])=C(OC([H])([H])[H])C([H])=C1[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H]	3066
[H]N(C(=O)[C@]([H])(N1C(=O)C(=NC2=C([H])C([H])=C([H])C([H])=C12)C1=C([H])C([H])=C([H])O1)C1=C([H])C([H])=C([H])C([H])=C1[H])C(C([H])([H])[H])(C([H])([H])[H])C([H])([H])[H]	1401
[H]N(C(=O)C1=NC(=NC([H])=C1Cl)S(=O)(=O)C([H])([H])C1=C([H])C([H])=C([H])C([H])=C1[H])C1=NN=C(S1)C([H])([H])C([H])([H])[H]	5954
[H]N(C(=O)[C@@]([H])(N1C(=O)C(=NC2=C([H])C([H])=C([H])C([H])=C12)C1=C([H])C([H])=C([H])O1)C1=C([H])C([H])=C([H])C2=C([H])C([H])=C([H])C([H])=C12)C1=C(C([H])=C([H])C([H])=C1C([H])([H])[H])C([H])([H])[H]	2561
[H]N(C(=O)[C@@]([H])(N1C(=O)C(=NC2=C([H])C([H])=C([H])C([H])=C12)C1=C([H])C([H])=C([H])O1)C1=C([H])C([H])=C(C([H])=C1[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]	3341
[H]\C(=C(\N1N=C([H])N=C1[H])C(=O)C1=C(Cl)C([H])=C(Cl)C([H])=C1[H])C1=C([H])C([H])=C([H])C([H])=C1[H]	3223
[H]N(N([H])C(=O)C([H])([H])C([H])([H])C([H])([H])C1=C([H])C(=C(OC([H])([H])[H])C([H])=C1[H])C([H])([H])[H])C(\[H])=C1/C([H])=C([H])C([H])=C(OC([H])([H])[H])C1=O	4266
[H]C1=C(C(=O)C2=C([H])C([H])=C(C([H])=C2[H])C([H])([H])[H])C2=C(O1)C1=C([H])C([H])=C([H])C([H])=C1C(=O)C2=O	3802
[H]N(C(=O)[C@]([H])(N1C(=O)C(=NC2=C([H])C([H])=C([H])C([H])=C12)C1=C([H])C([H])=C([H])O1)C1=C([H])C([H])=C(C([H])=C1[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]	2743
[H]N(C(=O)C1=NC(=NC([H])=C1Cl)S(=O)(=O)C([H])([H])C1=C([H])C([H])=C([H])C([H])=C1C([H])([H])[H])C1=NN=C(S1)C([H])([H])[H]	4410
[H]C1=C([H])C([H])=C(S1)C(=O)C([H])([H])[C@@]([H])(C1=C(C([H])=C(C([H])=C1C([H])([H])[H])C([H])([H])[H])C([H])([H])[H])C([H])(C#N)C#N	8021
[H]OS(=O)(=O)SC([H])([H])C(=N\C([H])([H])[C@]1([H])C([H])([H])C([H])([H])[C@@]2([H])C([H])([H])[C@]1([H])C2(C([H])([H])[H])C([H])([H])[H])\N([H])[H]	4448
[H]OC1=C([H])C([H])=C(C([H])=C1[H])C(=O)C([H])([H])N1N=NC(=C1[H])C([H])([H])OC1=C(OC([H])([H])[H])C([H])=C(C([H])=C1[H])C(=O)C([H])([H])[H]	5851
[H]N(C(=O)[C@]([H])(N1C(=O)C(=NC2=C([H])C([H])=C([H])C([H])=C12)C1=C([H])C([H])=C([H])O1)C1=C([H])C([H])=C(OC([H])([H])[H])C([H])=C1[H])C(C([H])([H])[H])(C([H])([H])[H])C([H])([H])[H]	1776
[H]N(C(=O)C1=NC(=NC([H])=C1Cl)S(=O)(=O)C([H])([H])C1=C([H])C([H])=C([H])C(=C1[H])C([H])([H])[H])C1=NN=C(SC([H])([H])[H])S1	4447
[H]O[C@@]1(C([H])([H])[H])C([H])([H])C([H])([H])\C([H])=C(C([H])([H])[H])/C([H])([H])C([H])([H])\C([H])=C(C([H])([H])[H])\C([H])([H])[C@]([H])(OC(=O)C([H])([H])[H])[C@@]2([H])C(=C([H])[H])C(=O)O[C@@]1([H])C2([H])[H]	3214
[H]N(C(=O)C([H])([H])C([H])([H])[H])C1=C([H])C([H])=C([H])C(=C1[H])C(=O)C(\[H])=C(/[H])C1=C([H])C([H])=C([H])C([H])=C1[H]	2859
[H]N([H])C1=C([H])C(=NN1S(=O)(=O)C1=C(F)C(F)=C(F)C(F)=C1F)C1=C([H])C(OC([H])([H])[H])=C(OC([H])([H])[H])C([H])=C1[H]	6255
[H]N(C(=S)N1C([H])([H])C([H])([H])N(C2=C([H])C([H])=C([H])C(=C2C([H])([H])[H])C([H])([H])[H])C([H])([H])C1([H])[H])C1=C([H])C2=C(N=C(C([H])=C2C([H])([H])[H])N2C([H])([H])C([H])([H])N(C([H])([H])[H])C([H])([H])C2([H])[H])C([H])=C1[H]	5888
[H]N(C(=O)[C@]([H])(N1C(=O)C(=NC2=C([H])C([H])=C([H])C([H])=C12)C1=C([H])C([H])=C([H])O1)C1=C([H])C2=C([H])C([H])=C([H])C([H])=C2O1)C([H])([H])C1=C([H])C([H])=C([H])C([H])=C1[H]	3074
[H]N(C(=O)[C@@]([H])(N1C(=O)C(=NC2=C([H])C([H])=C([H])C([H])=C12)C1=C([H])C([H])=C([H])O1)C1=C([H])C([H])=C(C#N)C([H])=C1[H])C([H])([H])C1=C([H])C([H])=C([H])C([H])=C1[H]	1303
[H]N(C(=O)[C@]([H])(N1C(=O)C(=NC2=C([H])C([H])=C([H])C([H])=C12)C1=C([H])C([H])=C([H])O1)C1=C([H])C2=C([H])C([H])=C([H])C([H])=C2O1)C1([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C1([H])[H]	2192
[H]\C(=C(\[H])C1=C([H])C(OC([H])([H])[H])=C(OC([H])([H])[H])C([H])=C1[H])C(=O)C1=C(OC(=O)C2=C([H])C(OC([H])([H])[H])=C(OC([H])([H])[H])C([H])=C2[H])C([H])=C([H])C(F)=C1[H]	5266
[H]N(C1=NC2=C(S1)C([H])=C([H])C(=C2[H])S(=O)(=O)N([H])C1=NC([H])([H])C([H])([H])C([H])([H])C([H])([H])C1([H])[H])S(=O)(=O)C1=C([H])C2=C([H])C([H])=C([H])C([H])=C2C([H])=C1[H]	9207
[H]N(C(=O)[C@]([H])(N1C(=O)C(=NC2=C([H])C([H])=C([H])C([H])=C12)C1=C([H])C([H])=C([H])O1)C1=C([H])C([H])=C(C#N)C([H])=C1[H])C1([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C1([H])[H]	2395
[H]\C(=C(\[H])C1=C([H])C([H])=C([H])C([H])=C1OC([H])([H])[H])C(=O)C1=C([H])C([H])=C([H])C([H])=C1[H]	7115
[H]N(C(=O)[C@@]([H])(N1C(=O)C(=NC2=C([H])C([H])=C([H])C([H])=C12)C1=C([H])C([H])=C([H])O1)C1=C([H])C([H])=C(C([H])=C1[H])C1=C([H])C([H])=C([H])C([H])=C1[H])C1=C(C([H])=C([H])C([H])=C1C([H])([H])[H])C([H])([H])[H]	1341
[H]N(C(=O)C([H])([H])SC1=NC(C2=C([H])C([H])=C([H])O2)=C(N=N1)C1=C([H])C([H])=C([H])O1)C1=C([H])C([H])=C(C([H])=C1[H])C([H])([H])[H]	1600
[H]C1=C([H])C([H])=C(C([H])=C1[H])C1(C2=C([H])C([H])=C([H])C([H])=C2[H])C([H])([H])C([H])([H])N(C([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])C([H])([H])C(=O)C2=C(N=C3N=C(N(C(=O)C3=C2C2=C([H])C(=C([H])C([H])=C2[H])[N+]([O-])=O)C([H])([H])C([H])([H])N2C([H])([H])C([H])([H])OC([H])([H])C2([H])[H])C([H])([H])[H])C([H])([H])[H])C([H])([H])C1([H])[H]	3951
[H]\C(=C(\[H])C1=C([H])C([H])=C(C([H])=C1[H])C([H])([H])[H])C(=O)C1=C(OC(=O)C2=C([H])C([H])=C([H])O2)C([H])=C([H])C(Br)=C1[H]	1964
[H]N(C(=O)[C@]([H])(N1C(=O)C(=NC2=C([H])C([H])=C([H])C([H])=C12)C1=C([H])C([H])=C([H])O1)C1=C([H])C([H])=C([H])C([H])=C1F)C(C([H])([H])[H])(C([H])([H])[H])C([H])([H])[H]	1850
[H]N(C(=O)[C@@]([H])(N1C(=O)C(=NC2=C([H])C([H])=C([H])C([H])=C12)C1=C([H])C([H])=C([H])O1)C1=C([H])C([H])=C([H])C([H])=C1F)C([H])([H])C1=C([H])C([H])=C([H])C([H])=C1[H]	2244
[H]N(C(=O)C1=NC(=NC([H])=C1Cl)S(=O)(=O)C([H])([H])C1=C([H])C([H])=C([H])C(=C1[H])C([H])([H])[H])C1=NN=C(S1)C([H])([H])C([H])([H])[H]	5045
[H]C1=C([H])C([H])=C2C(=O)C(=O)C3=C(OC(=C3C(=O)C3=C([H])C([H])=C(C([H])=C3[H])C([H])([H])[H])C([H])([H])[H])C2=C1[H]	5419
[H]OC1=C([H])C([H])=C([H])C([H])=C1[C@@]1([H])N([H])[C@](N=C(C2=C([H])C3=C(OC([H])([H])O3)C([H])=C2[H])C1([H])[H])(C([H])([H])[H])C([H])([H])C([H])([H])[H]	1870
[H]OC1=C([H])C([H])=C([H])C([H])=C1C(=O)C(\[H])=C(/[H])C1=C([H])C2=C(OC([H])([H])C([H])([H])C([H])([H])O2)C([H])=C1[H]	5596
[H]C1=C([H])C([H])=C2C(=C1[H])[C@]1(OC(=O)C([H])([H])[H])C3=C(C([H])=C([H])C(OC(=O)C([H])([H])[H])=C3[H])[C@]21C1=C([H])C([H])=C(OC(=O)C([H])([H])[H])C([H])=C1[H]	5503