pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
2.03	IUPAC digitized pKa	0	-1	CCCS[P@@](C)(=O)O	[CH2-][P@](=O)(O)SCCC	mol9292	CCCSP(C)(=O)O
3.38000011444092	QSARToolbox	0	-1	CCCS[P@@](C)(=O)O	[CH2-][P@](=O)(O)SCCC	mol9292	CCCSP(C)(=O)O
2.02999997138977	QSARToolbox	0	-1	CCCS[P@@](C)(=O)O	[CH2-][P@](=O)(O)SCCC	mol9292	CCCSP(C)(=O)O