pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
5.4899998	OCHEM	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]([OH2+])[C@H]1O,O[C@@H]1[C@H](O)[C@@H](n2ccc3c2ncn2ccnc32)O[C@@H]1C[OH2+]	OC[C@H]1O[C@H](n2ccc3c2ncn2ccnc32)[C@@H](O)[C@H]1O	mol32619	OCC1OC(n2ccc3c2ncn2ccnc32)C(O)C1O