pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
8.30000019073486	QSARToolbox	-2	-3	O=C([O-])C[NH+](CC(=O)[O-])Cc1cccc(-c2cccc(C[NH+](CC(=O)[O-])CC(=O)[O-])n2)n1	O=C([O-])CN(CC(=O)[O-])Cc1cccc(-c2cccc(C[NH+](CC(=O)[O-])CC(=O)[O-])n2)n1	mol36135	O=C(O)CN(CC(=O)O)Cc1cccc(-c2cccc(CN(CC(=O)O)CC(=O)O)n2)n1