pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
0.38	AttenGpKa training set	0	-1	O=C(O)c1oc(C(=O)O)c(C(=O)O)c1C(=O)O	O=C([O-])c1oc(C(=O)O)c(C(=O)O)c1C(=O)O,O=C(O)c1oc(C(=O)O)c(C(=O)O)c1C(=O)[O-]	mol10385	O=C(O)c1oc(C(=O)O)c(C(=O)O)c1C(=O)O
1.1	AttenGpKa training set	0	-1	O=C(O)c1oc(C(=O)O)c(C(=O)O)c1C(=O)O	O=C([O-])c1oc(C(=O)O)c(C(=O)O)c1C(=O)O,O=C(O)c1oc(C(=O)O)c(C(=O)O)c1C(=O)[O-]	mol10385	O=C(O)c1oc(C(=O)O)c(C(=O)O)c1C(=O)O
2.73	AttenGpKa training set	-2	-3	O=C([O-])c1oc(C(=O)O)c(C(=O)O)c1C(=O)[O-],O=C([O-])c1oc(C(=O)[O-])c(C(=O)O)c1C(=O)O,O=C([O-])c1oc(C(=O)O)c(C(=O)[O-])c1C(=O)O,O=C(O)c1oc(C(=O)O)c(C(=O)[O-])c1C(=O)[O-]	O=C([O-])c1oc(C(=O)[O-])c(C(=O)O)c1C(=O)[O-],O=C([O-])c1oc(C(=O)O)c(C(=O)[O-])c1C(=O)[O-]	mol10385	O=C(O)c1oc(C(=O)O)c(C(=O)O)c1C(=O)O
6.71	AttenGpKa training set	-3	-4	O=C([O-])c1oc(C(=O)[O-])c(C(=O)O)c1C(=O)[O-],O=C([O-])c1oc(C(=O)O)c(C(=O)[O-])c1C(=O)[O-]	O=C([O-])c1oc(C(=O)[O-])c(C(=O)[O-])c1C(=O)[O-]	mol10385	O=C(O)c1oc(C(=O)O)c(C(=O)O)c1C(=O)O