pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
9.26	Datawarrior	0	-1	[S-]Cc1[nH]cc[nH+]1,SCc1ncc[nH]1	[S-]Cc1ncc[nH]1	mol16028	SCc1ncc[nH]1
9.2600002	OCHEM	0	-1	[S-]Cc1[nH]cc[nH+]1,SCc1ncc[nH]1	[S-]Cc1ncc[nH]1	mol16028	SCc1ncc[nH]1
6.37	Datawarrior	1	0	SCc1[nH]cc[nH+]1	[S-]Cc1[nH]cc[nH+]1,SCc1ncc[nH]1	mol16028	SCc1ncc[nH]1
6.3699999	OCHEM	1	0	SCc1[nH]cc[nH+]1	[S-]Cc1[nH]cc[nH+]1,SCc1ncc[nH]1	mol16028	SCc1ncc[nH]1
6.36999988555908	QSARToolbox	1	0	SCc1[nH]cc[nH+]1	[S-]Cc1[nH]cc[nH+]1,SCc1ncc[nH]1	mol16028	SCc1ncc[nH]1