pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
3.09999990463257	QSARToolbox	1	0	O=C(O)[C@H]1O[C@@H](Oc2cccc3ncccc23)[C@H](O)[C@@H](O)[C@@H]1[OH2+],O=C(O)[C@H]1O[C@@H](Oc2cccc3[nH+]cccc23)[C@H](O)[C@@H](O)[C@@H]1O,OC(=[OH+])[C@H]1O[C@@H](Oc2cccc3ncccc23)[C@H](O)[C@@H](O)[C@@H]1O,O=C(O)[C@H]1O[C@@H](Oc2cccc3ncccc23)[C@H](O)[C@@H]([OH2+])[C@@H]1O,O=C(O)[C@H]1O[C@@H](Oc2cccc3ncccc23)[C@H]([OH2+])[C@@H](O)[C@@H]1O	O=C([O-])[C@H]1O[C@@H](Oc2cccc3[nH+]cccc23)[C@H](O)[C@@H](O)[C@@H]1O	mol37339	O=C(O)[C@H]1O[C@@H](Oc2cccc3ncccc23)[C@H](O)[C@@H](O)[C@@H]1O