pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.28	Datawarrior	0	-1	C/C=C/CC(=O)O	C/C=C/CC(=O)[O-]	mol15935	C/C=C/CC(=O)O
4.52	OCHEM	0	-1	C/C=C/CC(=O)O	C/C=C/CC(=O)[O-]	mol15935	C/C=C/CC(=O)O
4.28000020980835	QSARToolbox	0	-1	C/C=C/CC(=O)O	C/C=C/CC(=O)[O-]	mol15935	C/C=C/CC(=O)O
4.51	AttenGpKa training set	0	-1	C/C=C/CC(=O)O	C/C=C/CC(=O)[O-]	mol15935	C/C=C/CC(=O)O