pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
2.39	AttenGpKa training set	1	0	Cc1[nH+]cc([N+](=O)[O-])n1CCCl	Cc1ncc([N+](=O)[O-])n1CCCl	mol25463	Cc1ncc([N+](=O)[O-])n1CCCl