pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
3.0	QSARToolbox	0	-1	C[C@H](S[C@](C)(S[C@H](C)C(=O)O)C(=O)O)C(=O)O	C[C@H](S[C@](C)(S[C@H](C)C(=O)O)C(=O)O)C(=O)[O-],C[C@H](S[C@](C)(S[C@H](C)C(=O)O)C(=O)[O-])C(=O)O	mol34889	CC(SC(C)(SC(C)C(=O)O)C(=O)O)C(=O)O