pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
8.91	Datawarrior	1	0	C=C(C)C(=O)OCC[NH2+]CC(C)C	C=C(C)C(=O)OCCNCC(C)C	mol13696	C=C(C)C(=O)OCCNCC(C)C
8.9099998	OCHEM	1	0	C=C(C)C(=O)OCC[NH2+]CC(C)C	C=C(C)C(=O)OCCNCC(C)C	mol13696	C=C(C)C(=O)OCCNCC(C)C
8.90999984741211	QSARToolbox	1	0	C=C(C)C(=O)OCC[NH2+]CC(C)C	C=C(C)C(=O)OCCNCC(C)C	mol13696	C=C(C)C(=O)OCCNCC(C)C