pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.48999977111816	QSARToolbox	0	-1	CCC1=C(C)C(=O)N/C1=C\c1[nH]c(C)c(CC(=O)O)c1C	CCC1=C(C)C(=O)N/C1=C\c1[nH]c(C)c(CC(=O)[O-])c1C	mol35169	CCC1=C(C)C(=O)N/C1=C\c1[nH]c(C)c(CC(=O)O)c1C