pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
2.9300000667572	QSARToolbox	0	-1	O=C([O-])CN(CC(=O)O)c1ccccc1OCCCCOc1ccccc1[NH+](CC(=O)O)CC(=O)O,O=C([O-])C[NH+](CC(=O)O)c1ccccc1OCCCCOc1ccccc1N(CC(=O)O)CC(=O)O	O=C([O-])CN(CC(=O)[O-])c1ccccc1OCCCCOc1ccccc1[NH+](CC(=O)O)CC(=O)O,O=C([O-])C[NH+](CC(=O)[O-])c1ccccc1OCCCCOc1ccccc1N(CC(=O)O)CC(=O)O,O=C([O-])CN(CC(=O)O)c1ccccc1OCCCCOc1ccccc1N(CC(=O)O)CC(=O)O,O=C([O-])CN(CC(=O)O)c1ccccc1OCCCCOc1ccccc1[NH+](CC(=O)[O-])CC(=O)O	mol36141	O=C(O)CN(CC(=O)O)c1ccccc1OCCCCOc1ccccc1N(CC(=O)O)CC(=O)O