pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
7.58	AttenGpKa training set	0	-1	Nc1nc(O)ncc1NC(=O)C(F)(F)F	Nc1nc([O-])ncc1NC(=O)C(F)(F)F,Nc1nc(O)ncc1[N-]C(=O)C(F)(F)F	mol25818	Nc1nc(O)ncc1NC(=O)C(F)(F)F
3.19	AttenGpKa training set	1	0	Nc1[nH+]c(O)ncc1NC(=O)C(F)(F)F,Nc1nc(O)[nH+]cc1NC(=O)C(F)(F)F,[NH3+]c1nc(O)ncc1NC(=O)C(F)(F)F	Nc1nc(O)ncc1NC(=O)C(F)(F)F	mol25818	Nc1nc(O)ncc1NC(=O)C(F)(F)F
12.77	AttenGpKa training set	-1	-2	Nc1nc([O-])ncc1NC(=O)C(F)(F)F,Nc1nc(O)ncc1[N-]C(=O)C(F)(F)F	[NH-]c1nc([O-])ncc1NC(=O)C(F)(F)F,Nc1nc([O-])ncc1[N-]C(=O)C(F)(F)F,[NH-]c1nc(O)ncc1[N-]C(=O)C(F)(F)F	mol25818	Nc1nc(O)ncc1NC(=O)C(F)(F)F