pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.36	AttenGpKa training set	0	-1	O=[N+]([O-])c1cccc(-c2n[nH]c([N+](=O)[O-])n2)c1	O=[N+]([O-])c1cccc(-c2n[n-]c([N+](=O)[O-])n2)c1	mol25559	O=[N+]([O-])c1cccc(-c2n[nH]c([N+](=O)[O-])n2)c1