pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
6.82	AttenGpKa training set	0	-1	O=[N+]([O-])c1cnc(I)[nH]1	O=[N+]([O-])c1cnc(I)[n-]1	mol25566	O=[N+]([O-])c1cnc(I)[nH]1
-0.85	AttenGpKa training set	1	0	O=[N+]([O-])c1c[nH+]c(I)[nH]1	O=[N+]([O-])c1cnc(I)[nH]1	mol25566	O=[N+]([O-])c1cnc(I)[nH]1