pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
9.7638	IUPAC digitized pKa	0	-1	[NH3+]CCOS(=O)(=O)[O-]	NCCOS(=O)(=O)[O-]	mol3147	NCCOS(=O)(=O)O
9.4628	IUPAC digitized pKa	0	-1	[NH3+]CCOS(=O)(=O)[O-]	NCCOS(=O)(=O)[O-]	mol3147	NCCOS(=O)(=O)O
9.1821	IUPAC digitized pKa	0	-1	[NH3+]CCOS(=O)(=O)[O-]	NCCOS(=O)(=O)[O-]	mol3147	NCCOS(=O)(=O)O
8.9201	IUPAC digitized pKa	0	-1	[NH3+]CCOS(=O)(=O)[O-]	NCCOS(=O)(=O)[O-]	mol3147	NCCOS(=O)(=O)O
8.6768	IUPAC digitized pKa	0	-1	[NH3+]CCOS(=O)(=O)[O-]	NCCOS(=O)(=O)[O-]	mol3147	NCCOS(=O)(=O)O
9.4	OCHEM	0	-1	[NH3+]CCOS(=O)(=O)[O-]	NCCOS(=O)(=O)[O-]	mol3147	NCCOS(=O)(=O)O
8.97000026702881	QSARToolbox	0	-1	[NH3+]CCOS(=O)(=O)[O-]	NCCOS(=O)(=O)[O-]	mol3147	NCCOS(=O)(=O)O
9.13000011444092	QSARToolbox	0	-1	[NH3+]CCOS(=O)(=O)[O-]	NCCOS(=O)(=O)[O-]	mol3147	NCCOS(=O)(=O)O
9.13500022888184	QSARToolbox	0	-1	[NH3+]CCOS(=O)(=O)[O-]	NCCOS(=O)(=O)[O-]	mol3147	NCCOS(=O)(=O)O
9.82100009918213	QSARToolbox	0	-1	[NH3+]CCOS(=O)(=O)[O-]	NCCOS(=O)(=O)[O-]	mol3147	NCCOS(=O)(=O)O