pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
8.2	Datawarrior	0	-1	c1ccc(CSc2cnn[nH]2)cc1	c1ccc(CSc2cnn[n-]2)cc1	mol13831	c1ccc(CSc2cnn[nH]2)cc1
8.1999998	OCHEM	0	-1	c1ccc(CSc2cnn[nH]2)cc1	c1ccc(CSc2cnn[n-]2)cc1	mol13831	c1ccc(CSc2cnn[nH]2)cc1
8.19999980926514	QSARToolbox	0	-1	c1ccc(CSc2cnn[nH]2)cc1	c1ccc(CSc2cnn[n-]2)cc1	mol13831	c1ccc(CSc2cnn[nH]2)cc1