pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
3.09999990463257	QSARToolbox	0	-1	CC(C)[C@@H](C(=O)O)N(CC(=O)[C@@H](O)[C@H](O)[C@H](O)CO)N=O,CC(C)[C@@H](C(=O)[O-])[NH+](CC(=O)[C@@H](O)[C@H](O)[C@H](O)CO)N=O	CC(C)[C@@H](C(=O)[O-])N(CC(=O)[C@@H](O)[C@H](O)[C@H](O)CO)N=O	mol33999	CC(C)[C@@H](C(=O)O)N(CC(=O)[C@@H](O)[C@H](O)[C@H](O)CO)N=O