pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.29	Datawarrior	1	0	COCC[NH2+]c1cccc(C)c1	COCCNc1cccc(C)c1	mol12674	COCCNc1cccc(C)c1
4.28999996185303	QSARToolbox	1	0	COCC[NH2+]c1cccc(C)c1	COCCNc1cccc(C)c1	mol12674	COCCNc1cccc(C)c1