pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
1.02	OCHEM	1	0	Cn1ccc(=O)c[nH+]1	Cn1ccc(=O)cn1	mol4022	Cn1ccc(=O)cn1
1.20000004768372	QSARToolbox	1	0	Cn1ccc(=O)c[nH+]1	Cn1ccc(=O)cn1	mol4022	Cn1ccc(=O)cn1