pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
3.29999995231628	QSARToolbox	1	0	Nc1ccccc1O[C@@H]1O[C@H](C(=O)O)[C@@H]([OH2+])[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]1[OH2+],Nc1ccccc1O[C@@H]1O[C@H](C(=O)O)[C@@H](O)[C@H]([OH2+])[C@H]1O,Nc1ccccc1O[C@@H]1O[C@H](C(O)=[OH+])[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,[NH3+]c1ccccc1O[C@@H]1O[C@H](C(=O)[O-])[C@@H](O)[C@H](O)[C@H]1O	mol34245	Nc1ccccc1O[C@@H]1O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]1O