pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
3.95000004768372	QSARToolbox	0	-1	Cc1ccccc1[NH+](CCC(=O)[O-])CCC(=O)O	Cc1ccccc1[NH+](CCC(=O)[O-])CCC(=O)[O-]	mol35820	Cc1ccccc1N(CCC(=O)O)CCC(=O)O
2.92000007629395	QSARToolbox	1	0	Cc1ccccc1[NH+](CCC(=O)O)CCC(=O)O,Cc1ccccc1N(CCC(=O)O)CCC(O)=[OH+]	Cc1ccccc1[NH+](CCC(=O)[O-])CCC(=O)O	mol35820	Cc1ccccc1N(CCC(=O)O)CCC(=O)O
7.17999982833862	QSARToolbox	-1	-2	Cc1ccccc1[NH+](CCC(=O)[O-])CCC(=O)[O-]	Cc1ccccc1N(CCC(=O)[O-])CCC(=O)[O-]	mol35820	Cc1ccccc1N(CCC(=O)O)CCC(=O)O