pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
3.5	Organic Oxygen Acids and Nitrogen Bases	1	0	CCN(CC)C(=O)c1ccc[nH+]c1	CCN(CC)C(=O)c1cccnc1	mol2594	CCN(CC)C(=O)c1cccnc1