pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
1.20000004768372	QSARToolbox	1	0	O[C@H]1[C@H]2O[C@H]2c2c(ccc3cc4ccc5ccccc5c4[nH+]c23)[C@@H]1O,O[C@H]1[C@H]2O[C@H]2c2c(ccc3cc4ccc5ccccc5c4nc23)[C@@H]1[OH2+],O[C@H]1c2ccc3cc4ccc5ccccc5c4nc3c2[C@@H]2O[C@@H]2[C@@H]1[OH2+]	O[C@H]1[C@H]2O[C@H]2c2c(ccc3cc4ccc5ccccc5c4nc23)[C@@H]1O	mol37315	O[C@H]1[C@H]2O[C@H]2c2c(ccc3cc4ccc5ccccc5c4nc23)[C@@H]1O