pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.19999980926514	QSARToolbox	0	-1	COc1ccccc1[NH+](CCC(=O)[O-])CCC(=O)O	COc1ccccc1[NH+](CCC(=O)[O-])CCC(=O)[O-]	mol34864	COc1ccccc1N(CCC(=O)O)CCC(=O)O
3.15000009536743	QSARToolbox	0	-1	COc1ccccc1[NH+](CCC(=O)[O-])CCC(=O)O	COc1ccccc1[NH+](CCC(=O)[O-])CCC(=O)[O-]	mol34864	COc1ccccc1N(CCC(=O)O)CCC(=O)O
7.57999992370606	QSARToolbox	-1	-2	COc1ccccc1[NH+](CCC(=O)[O-])CCC(=O)[O-]	COc1ccccc1N(CCC(=O)[O-])CCC(=O)[O-]	mol34864	COc1ccccc1N(CCC(=O)O)CCC(=O)O