pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
0.19	AttenGpKa training set	1	0	Cc1c[nH+]n(-c2ccc([N+](=O)[O-])c([N+](=O)[O-])c2)c1C	Cc1cnn(-c2ccc([N+](=O)[O-])c([N+](=O)[O-])c2)c1C	mol25585	Cc1cnn(-c2ccc([N+](=O)[O-])c([N+](=O)[O-])c2)c1C