pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
3.67	Datawarrior	1	0	CCOCC[NH2+]c1cccc(OC)c1	CCOCCNc1cccc(OC)c1	mol13267	CCOCCNc1cccc(OC)c1
3.6700001	OCHEM	1	0	CCOCC[NH2+]c1cccc(OC)c1	CCOCCNc1cccc(OC)c1	mol13267	CCOCCNc1cccc(OC)c1
3.67000007629395	QSARToolbox	1	0	CCOCC[NH2+]c1cccc(OC)c1	CCOCCNc1cccc(OC)c1	mol13267	CCOCCNc1cccc(OC)c1