pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
2.69000005722046	QSARToolbox	0	-1	O=C(O)[C@@H](SCCS[C@H](C(=O)O)c1ccccc1)c1ccccc1	O=C([O-])[C@@H](SCCS[C@H](C(=O)O)c1ccccc1)c1ccccc1	mol37592	O=C(O)[C@@H](SCCS[C@H](C(=O)O)c1ccccc1)c1ccccc1