pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
3.92	Datawarrior	0	-1	N#CCC[C@@H](C(=O)O)c1ccccc1	N#CCC[C@@H](C(=O)[O-])c1ccccc1	mol13269	N#CCCC(C(=O)O)c1ccccc1
3.9200001	OCHEM	0	-1	N#CCC[C@@H](C(=O)O)c1ccccc1	N#CCC[C@@H](C(=O)[O-])c1ccccc1	mol13269	N#CCCC(C(=O)O)c1ccccc1
3.92000007629395	QSARToolbox	0	-1	N#CCC[C@@H](C(=O)O)c1ccccc1	N#CCC[C@@H](C(=O)[O-])c1ccccc1	mol13269	N#CCCC(C(=O)O)c1ccccc1