pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.09000015258789	QSARToolbox	1	0	O[C@@H]1[C@@H](O)[C@@H]([OH2+])CO[C@H]1n1cnc2ccccc21,O[C@@H]1[C@@H]([OH2+])[C@H](n2cnc3ccccc32)OC[C@@H]1O,O[C@@H]1[C@@H](O)[C@@H](O)CO[C@H]1n1c[nH+]c2ccccc21,O[C@@H]1[C@@H]([OH2+])[C@@H](O)CO[C@H]1n1cnc2ccccc21	O[C@@H]1[C@@H](O)[C@@H](O)CO[C@H]1n1cnc2ccccc21	mol37326	O[C@@H]1[C@@H](O)[C@@H](O)CO[C@H]1n1cnc2ccccc21