pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
5.13	IUPAC digitized pKa	1	0	CC[N+](O)(CC)CC	CC[N+]([O-])(CC)CC	mol3152	CC[N+]([O-])(CC)CC
5.13000011444092	QSARToolbox	1	0	CC[N+](O)(CC)CC	CC[N+]([O-])(CC)CC	mol3152	CC[N+]([O-])(CC)CC