pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.61	IUPAC digitized pKa	1	0	CSCc1cccc[nH+]1	CSCc1ccccn1	mol6530	CSCc1ccccn1
4.67	IUPAC digitized pKa	1	0	CSCc1cccc[nH+]1	CSCc1ccccn1	mol6530	CSCc1ccccn1
5.4	Datawarrior	1	0	CSCc1cccc[nH+]1	CSCc1ccccn1	mol6530	CSCc1ccccn1
5.4000001	OCHEM	1	0	CSCc1cccc[nH+]1	CSCc1ccccn1	mol6530	CSCc1ccccn1
4.64	OCHEM	1	0	CSCc1cccc[nH+]1	CSCc1ccccn1	mol6530	CSCc1ccccn1
5.40000009536743	QSARToolbox	1	0	CSCc1cccc[nH+]1	CSCc1ccccn1	mol6530	CSCc1ccccn1
4.6100001335144	QSARToolbox	1	0	CSCc1cccc[nH+]1	CSCc1ccccn1	mol6530	CSCc1ccccn1
4.67000007629395	QSARToolbox	1	0	CSCc1cccc[nH+]1	CSCc1ccccn1	mol6530	CSCc1ccccn1