pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
3.38	Datawarrior	0	-1	C[C@@](O)(c1ccccc1)[C@@H](C(=O)O)c1ccc(-c2ccccc2)cc1	C[C@@](O)(c1ccccc1)[C@@H](C(=O)[O-])c1ccc(-c2ccccc2)cc1	mol15323	CC(O)(c1ccccc1)C(C(=O)O)c1ccc(-c2ccccc2)cc1
3.3800001	OCHEM	0	-1	C[C@@](O)(c1ccccc1)[C@@H](C(=O)O)c1ccc(-c2ccccc2)cc1	C[C@@](O)(c1ccccc1)[C@@H](C(=O)[O-])c1ccc(-c2ccccc2)cc1	mol15323	CC(O)(c1ccccc1)C(C(=O)O)c1ccc(-c2ccccc2)cc1
3.38000011444092	QSARToolbox	0	-1	C[C@@](O)(c1ccccc1)[C@@H](C(=O)O)c1ccc(-c2ccccc2)cc1	C[C@@](O)(c1ccccc1)[C@@H](C(=O)[O-])c1ccc(-c2ccccc2)cc1	mol15323	CC(O)(c1ccccc1)C(C(=O)O)c1ccc(-c2ccccc2)cc1