pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.48	Datawarrior	0	-1	O=C(O)CCC(=O)c1cccc2ccccc12	O=C([O-])CCC(=O)c1cccc2ccccc12	mol2144	O=C(O)CCC(=O)c1cccc2ccccc12
4.48000001907349	QSARToolbox	0	-1	O=C(O)CCC(=O)c1cccc2ccccc12	O=C([O-])CCC(=O)c1cccc2ccccc12	mol2144	O=C(O)CCC(=O)c1cccc2ccccc12