pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
7.73	IUPAC digitized pKa	1	0	CCOP(=O)(OCC)SCC[NH+](C)C	CCOP(=O)(OCC)SCCN(C)C	mol2485	CCOP(=O)(OCC)SCCN(C)C
7.73000001907349	QSARToolbox	1	0	CCOP(=O)(OCC)SCC[NH+](C)C	CCOP(=O)(OCC)SCCN(C)C	mol2485	CCOP(=O)(OCC)SCCN(C)C