pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
1.23000001907349	QSARToolbox	1	0	CC(C)C[C@H](N)[P@](O)(=[OH+])CCC(=O)O,CC(C)C[C@H]([NH3+])[P@@](=O)(O)CCC(=O)O	CC(C)C[C@H]([NH3+])[P@@](=O)(O)CCC(=O)[O-],CC(C)C[C@H]([NH3+])[P@@](=O)([O-])CCC(=O)O	mol34453	CC(C)CC(N)P(=O)(O)CCC(=O)O