pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
0.3	AttenGpKa training set	1	0	Cc1[nH+]c([N+](=O)[O-])cn1CCCl	Cc1nc([N+](=O)[O-])cn1CCCl	mol25462	Cc1nc([N+](=O)[O-])cn1CCCl