pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
2.26	OCHEM	1	0	CSc1ccc[nH+]n1,CSc1cccn[nH+]1	CSc1cccnn1	mol4044	CSc1cccnn1
2.25999999046326	QSARToolbox	1	0	CSc1ccc[nH+]n1,CSc1cccn[nH+]1	CSc1cccnn1	mol4044	CSc1cccnn1