pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
5.25	Baltruschat ChEMBL	1	0	O[C@@H]1c2cc(OCc3cccc[nH+]3)ccc2OC[C@@H]1Cc1cccnc1,O[C@@H]1c2cc(OCc3ccccn3)ccc2OC[C@@H]1Cc1ccc[nH+]c1	O[C@@H]1c2cc(OCc3ccccn3)ccc2OC[C@@H]1Cc1cccnc1	mol20625	O[C@@H]1c2cc(OCc3ccccn3)ccc2OC[C@@H]1Cc1cccnc1