pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
3.63	Datawarrior	0	-1	O=C(O)/C=C\c1cccc([N+](=O)[O-])c1	O=C([O-])/C=C\c1cccc([N+](=O)[O-])c1	mol13255	O=C(O)/C=C\c1cccc([N+](=O)[O-])c1
3.61	AttenGpKa training set	0	-1	O=C(O)/C=C\c1cccc([N+](=O)[O-])c1	O=C([O-])/C=C\c1cccc([N+](=O)[O-])c1	mol13255	O=C(O)/C=C\c1cccc([N+](=O)[O-])c1