pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
1.60000002384186	QSARToolbox	-1	-2	O=C(O)CN(CC(=O)O)C1(C(=O)[O-])CCCCCC1,O=C([O-])C[NH+](CC(=O)[O-])C1(C(=O)O)CCCCCC1,O=C([O-])C[NH+](CC(=O)O)C1(C(=O)[O-])CCCCCC1,O=C([O-])CN(CC(=O)O)C1(C(=O)O)CCCCCC1	O=C([O-])C[NH+](CC(=O)[O-])C1(C(=O)[O-])CCCCCC1	mol36123	O=C(O)CN(CC(=O)O)C1(C(=O)O)CCCCCC1