pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
8.12	IUPAC digitized pKa	1	0	CCOP(=S)(OCC)OCC[NH+](C)C	CCOP(=S)(OCC)OCCN(C)C	mol5839	CCOP(=S)(OCC)OCCN(C)C
8.11999988555908	QSARToolbox	1	0	CCOP(=S)(OCC)OCC[NH+](C)C	CCOP(=S)(OCC)OCCN(C)C	mol5839	CCOP(=S)(OCC)OCCN(C)C