pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.02	IUPAC digitized pKa	1	0	C[N+](C)(C)CCCC(=O)O	C[N+](C)(C)CCCC(=O)[O-]	mol10379	C[N+](C)(C)CCCC(=O)O
4.13000011444092	QSARToolbox	1	0	C[N+](C)(C)CCCC(=O)O	C[N+](C)(C)CCCC(=O)[O-]	mol10379	C[N+](C)(C)CCCC(=O)O
4.15000009536743	QSARToolbox	1	0	C[N+](C)(C)CCCC(=O)O	C[N+](C)(C)CCCC(=O)[O-]	mol10379	C[N+](C)(C)CCCC(=O)O