pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
2.11999988555908	QSARToolbox	0	-1	CC(C)[C@@H](C(=O)[O-])[S+](O)[C@H](C(=O)O)C(C)C	CC(C)[C@@H](C(=O)[O-])[S+]([O-])[C@H](C(=O)O)C(C)C,CC(C)[C@@H](C(=O)[O-])[S+](O)[C@H](C(=O)[O-])C(C)C	mol37629	CC(C)[C@@H](C(=O)O)[S+]([O-])[C@H](C(=O)O)C(C)C