pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
7.8	IUPAC digitized pKa	1	0	CCO[P@](C)(=O)SCC[NH+](C)C	CCO[P@](C)(=O)SCCN(C)C	mol5843	CCOP(C)(=O)SCCN(C)C
7.80000019073486	QSARToolbox	1	0	CCO[P@](C)(=O)SCC[NH+](C)C	CCO[P@](C)(=O)SCCN(C)C	mol5843	CCOP(C)(=O)SCCN(C)C