pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
9.9	Baltruschat ChEMBL	0	-1	Oc1ccc([C@@H](O)[C@H]2CCCCN2)cc1O,[O-]c1cc([C@@H](O)[C@H]2CCCC[NH2+]2)ccc1O,[O-]c1ccc([C@@H](O)[C@H]2CCCC[NH2+]2)cc1O	[O-]c1ccc([C@@H](O)[C@H]2CCCC[NH2+]2)cc1[O-],[O-]c1cc([C@@H](O)[C@H]2CCCCN2)ccc1O,[O-]c1ccc([C@@H](O)[C@H]2CCCCN2)cc1O	mol17452	Oc1ccc(C(O)C2CCCCN2)cc1O