pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
5.19999980926514	QSARToolbox	1	0	OC[C@H]1O[C@@H](n2c[nH+]c3c(OCc4ccccc4)nc4nccn4c32)[C@H](O)[C@@H]1O,OC[C@H]1O[C@@H](n2cnc3c(OCc4ccccc4)nc4nccn4c32)[C@H]([OH2+])[C@@H]1O,OC[C@H]1O[C@@H](n2cnc3c(OCc4ccccc4)[nH+]c4nccn4c32)[C@H](O)[C@@H]1O,OC[C@H]1O[C@@H](n2cnc3c(OCc4ccccc4)nc4[nH+]ccn4c32)[C@H](O)[C@@H]1O	OC[C@H]1O[C@@H](n2cnc3c(OCc4ccccc4)nc4nccn4c32)[C@H](O)[C@@H]1O	mol36955	OC[C@H]1O[C@@H](n2cnc3c(OCc4ccccc4)nc4nccn4c32)[C@H](O)[C@@H]1O