pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
5.49	Datawarrior	1	0	OC[C@@H]1O[C@H](n2ccc3c2[nH+]cn2ccnc32)[C@@H](O)[C@H]1O,OC[C@@H]1O[C@H](n2ccc3c2ncn2cc[nH+]c32)[C@@H](O)[C@H]1O	OC[C@@H]1O[C@H](n2ccc3c2ncn2ccnc32)[C@@H](O)[C@H]1O	mol15350	OC[C@@H]1O[C@H](n2ccc3c2ncn2ccnc32)[C@@H](O)[C@H]1O