pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
3.7	Baltruschat ChEMBL	0	-1	OC[C@H]1O[C@H](Oc2ccc(-c3ccc(-c4nnn[nH]4)cc3)cc2)[C@@H](O)[C@@H](O)[C@@H]1O	OC[C@H]1O[C@H](Oc2ccc(-c3ccc(-c4nnn[n-]4)cc3)cc2)[C@@H](O)[C@@H](O)[C@@H]1O	mol17720	OC[C@H]1O[C@H](Oc2ccc(-c3ccc(-c4nnn[nH]4)cc3)cc2)[C@@H](O)[C@@H](O)[C@@H]1O