pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
6.3	IUPAC digitized pKa	0	-1	O=C([O-])[C@@H]1CSC[NH2+]1	O=C([O-])[C@@H]1CSCN1	mol4242	O=C(O)C1CSCN1
6.23	Datawarrior	0	-1	O=C([O-])[C@@H]1CSC[NH2+]1	O=C([O-])[C@@H]1CSCN1	mol4242	O=C(O)C1CSCN1
6.14	Datawarrior	0	-1	O=C([O-])[C@@H]1CSC[NH2+]1	O=C([O-])[C@@H]1CSCN1	mol4242	O=C(O)C1CSCN1
6.1849999	OCHEM	0	-1	O=C([O-])[C@@H]1CSC[NH2+]1	O=C([O-])[C@@H]1CSCN1	mol4242	O=C(O)C1CSCN1
6.3600001335144	QSARToolbox	0	-1	O=C([O-])[C@@H]1CSC[NH2+]1	O=C([O-])[C@@H]1CSCN1	mol4242	O=C(O)C1CSCN1
6.2	AttenGpKa training set	0	-1	O=C([O-])[C@@H]1CSC[NH2+]1	O=C([O-])[C@@H]1CSCN1	mol4242	O=C(O)C1CSCN1
1.42	IUPAC digitized pKa	1	0	O=C(O)[C@@H]1CSC[NH2+]1	O=C([O-])[C@@H]1CSC[NH2+]1	mol4242	O=C(O)C1CSCN1
1.58	Datawarrior	1	0	O=C(O)[C@@H]1CSC[NH2+]1	O=C([O-])[C@@H]1CSC[NH2+]1	mol4242	O=C(O)C1CSCN1
1.51	AttenGpKa training set	1	0	O=C(O)[C@@H]1CSC[NH2+]1	O=C([O-])[C@@H]1CSC[NH2+]1	mol4242	O=C(O)C1CSCN1