pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
2.82999992370605	QSARToolbox	1	0	Cc1ccc([NH+](CCC(=O)O)CCC(=O)O)cc1C,Cc1ccc(N(CCC(=O)O)CCC(O)=[OH+])cc1C	Cc1ccc([NH+](CCC(=O)[O-])CCC(=O)O)cc1C	mol35693	Cc1ccc(N(CCC(=O)O)CCC(=O)O)cc1C