pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.45	OCHEM	0	-1	C[C@H](C(=O)O)c1cccc(C(=O)c2ccccc2)c1	C[C@H](C(=O)[O-])c1cccc(C(=O)c2ccccc2)c1	mol2306	C[C@H](C(=O)O)c1cccc(C(=O)c2ccccc2)c1
3.89	OCHEM	0	-1	C[C@H](C(=O)O)c1cccc(C(=O)c2ccccc2)c1	C[C@H](C(=O)[O-])c1cccc(C(=O)c2ccccc2)c1	mol2306	C[C@H](C(=O)O)c1cccc(C(=O)c2ccccc2)c1
3.96	OCHEM	0	-1	C[C@H](C(=O)O)c1cccc(C(=O)c2ccccc2)c1	C[C@H](C(=O)[O-])c1cccc(C(=O)c2ccccc2)c1	mol2306	C[C@H](C(=O)O)c1cccc(C(=O)c2ccccc2)c1
3.89000010490417	QSARToolbox	0	-1	C[C@H](C(=O)O)c1cccc(C(=O)c2ccccc2)c1	C[C@H](C(=O)[O-])c1cccc(C(=O)c2ccccc2)c1	mol2306	C[C@H](C(=O)O)c1cccc(C(=O)c2ccccc2)c1