pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
12.38	AttenGpKa training set	0	-1	CCOC(=O)c1ccc(C(=O)NN)cc1	CCOC(=O)c1ccc(C(=O)[N-]N)cc1	mol11375	CCOC(=O)c1ccc(C(=O)NN)cc1
2.89	AttenGpKa training set	1	0	CCOC(=O)c1ccc(C(=O)N[NH3+])cc1	CCOC(=O)c1ccc(C(=O)NN)cc1	mol11375	CCOC(=O)c1ccc(C(=O)NN)cc1