pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.47	euroSAMPL1	1	0	NC(=O)c1ccc(-c2cccc[nH+]2)cc1	NC(=O)c1ccc(-c2ccccn2)cc1	euroSAMPL-27	NC(=O)c1ccc(-c2ccccn2)cc1