pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
5.2	OCHEM	0	-1	O=C(O)c1ccccc1-c1c2ccc(=O)cc-2oc2cc(O)ccc12	O=C([O-])c1ccccc1-c1c2ccc(=O)cc-2oc2cc(O)ccc12	mol20257	O=C(O)c1ccccc1-c1c2ccc(=O)cc-2oc2cc(O)ccc12
2.11	AttenGpKa training set	0	-1	O=C(O)c1ccccc1-c1c2ccc(=O)cc-2oc2cc(O)ccc12	O=C([O-])c1ccccc1-c1c2ccc(=O)cc-2oc2cc(O)ccc12	mol20257	O=C(O)c1ccccc1-c1c2ccc(=O)cc-2oc2cc(O)ccc12
4.31	AttenGpKa training set	0	-1	O=C(O)c1ccccc1-c1c2ccc(=O)cc-2oc2cc(O)ccc12	O=C([O-])c1ccccc1-c1c2ccc(=O)cc-2oc2cc(O)ccc12	mol20257	O=C(O)c1ccccc1-c1c2ccc(=O)cc-2oc2cc(O)ccc12
6.39	AttenGpKa training set	-1	-2	O=C([O-])c1ccccc1-c1c2ccc(=O)cc-2oc2cc(O)ccc12	O=C([O-])c1ccccc1-c1c2ccc(=O)cc-2oc2cc([O-])ccc12	mol20257	O=C(O)c1ccccc1-c1c2ccc(=O)cc-2oc2cc(O)ccc12