pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
0.15	IUPAC digitized pKa	0	-1	O=[N+]([O-])c1cc([N+](=O)[O-])c(I)c([N+](=O)[O-])c1O	O=[N+]([O-])c1cc([N+](=O)[O-])c(I)c([N+](=O)[O-])c1[O-]	mol9845	O=[N+]([O-])c1cc([N+](=O)[O-])c(I)c([N+](=O)[O-])c1O
0.152	AttenGpKa training set	0	-1	O=[N+]([O-])c1cc([N+](=O)[O-])c(I)c([N+](=O)[O-])c1O	O=[N+]([O-])c1cc([N+](=O)[O-])c(I)c([N+](=O)[O-])c1[O-]	mol9845	O=[N+]([O-])c1cc([N+](=O)[O-])c(I)c([N+](=O)[O-])c1O