pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
10.47	IUPAC digitized pKa	0	-1	CC(C)c1ccccc1O	CC(C)c1ccccc1[O-]	mol450	CC(C)c1ccccc1O
10.49	IUPAC digitized pKa	0	-1	CC(C)c1ccccc1O	CC(C)c1ccccc1[O-]	mol450	CC(C)c1ccccc1O
10.31	IUPAC digitized pKa	0	-1	CC(C)c1ccccc1O	CC(C)c1ccccc1[O-]	mol450	CC(C)c1ccccc1O
10.34	IUPAC digitized pKa	0	-1	CC(C)c1ccccc1O	CC(C)c1ccccc1[O-]	mol450	CC(C)c1ccccc1O
10.5	OCHEM	0	-1	CC(C)c1ccccc1O	CC(C)c1ccccc1[O-]	mol450	CC(C)c1ccccc1O
10.325	OCHEM	0	-1	CC(C)c1ccccc1O	CC(C)c1ccccc1[O-]	mol450	CC(C)c1ccccc1O
10.4	Baltruschat ChEMBL	0	-1	CC(C)c1ccccc1O	CC(C)c1ccccc1[O-]	mol450	CC(C)c1ccccc1O
10.44333333	AttenGpKa training set	0	-1	CC(C)c1ccccc1O	CC(C)c1ccccc1[O-]	mol450	CC(C)c1ccccc1O