pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
2.99000000953674	QSARToolbox	1	0	O=C(O)[C@@H](O)Cc1c[nH]c[nH+]1,O=C(O)[C@@H]([OH2+])Cc1c[nH]cn1	O=C([O-])[C@@H](O)Cc1c[nH]c[nH+]1	mol37784	O=C(O)[C@@H](O)Cc1c[nH]cn1