pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
1.8	Datawarrior	1	0	O[C@@H]1[C@H](O)[C@@H](n2c[nH+]c3cncnc32)OC[C@@H]1O,O[C@@H]1[C@H](O)[C@@H](n2cnc3c[nH+]cnc32)OC[C@@H]1O,O[C@@H]1[C@H](O)[C@@H](n2cnc3cnc[nH+]c32)OC[C@@H]1O	O[C@@H]1[C@H](O)[C@@H](n2cnc3cncnc32)OC[C@@H]1O	mol14810	O[C@@H]1[C@H](O)[C@@H](n2cnc3cncnc32)OC[C@@H]1O