pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
3.54	Datawarrior	0	-1	Cc1ncsc1C(=O)O	Cc1ncsc1C(=O)[O-]	mol13647	Cc1ncsc1C(=O)O
3.50999999046326	QSARToolbox	0	-1	Cc1ncsc1C(=O)O	Cc1ncsc1C(=O)[O-]	mol13647	Cc1ncsc1C(=O)O
3.5699999332428	QSARToolbox	0	-1	Cc1ncsc1C(=O)O	Cc1ncsc1C(=O)[O-]	mol13647	Cc1ncsc1C(=O)O
3.57	AttenGpKa training set	0	-1	Cc1ncsc1C(=O)O	Cc1ncsc1C(=O)[O-]	mol13647	Cc1ncsc1C(=O)O