pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.05	Datawarrior	1	0	COCC[NH2+]c1ccccc1	COCCNc1ccccc1	mol14239	COCCNc1ccccc1
4.0500002	OCHEM	1	0	COCC[NH2+]c1ccccc1	COCCNc1ccccc1	mol14239	COCCNc1ccccc1
4.05000019073486	QSARToolbox	1	0	COCC[NH2+]c1ccccc1	COCCNc1ccccc1	mol14239	COCCNc1ccccc1