pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
3.3	OCHEM	1	0	Nc1ccccc1O[C@H]1O[C@@H](C(=O)O)[C@@H](O)[C@@H]([OH2+])[C@@H]1O,[NH3+]c1ccccc1O[C@H]1O[C@@H](C(=O)O)[C@@H](O)[C@@H](O)[C@@H]1O,Nc1ccccc1O[C@H]1O[C@@H](C(=O)O)[C@@H]([OH2+])[C@@H](O)[C@@H]1O,Nc1ccccc1O[C@H]1O[C@@H](C(=O)O)[C@@H](O)[C@@H](O)[C@@H]1[OH2+],Nc1ccccc1O[C@H]1O[C@@H](C(O)=[OH+])[C@@H](O)[C@@H](O)[C@@H]1O	[NH3+]c1ccccc1O[C@H]1O[C@@H](C(=O)[O-])[C@@H](O)[C@@H](O)[C@@H]1O,Nc1ccccc1O[C@H]1O[C@@H](C(=O)O)[C@@H](O)[C@@H](O)[C@@H]1O	mol32313	Nc1ccccc1OC1OC(C(=O)O)C(O)C(O)C1O