pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.66	AttenGpKa training set	0	-1	Nc1ccc(S(=O)(=O)Nn2cnnc2)cc1	Nc1ccc(S(=O)(=O)[N-]n2cnnc2)cc1	mol28428	Nc1ccc(S(=O)(=O)Nn2cnnc2)cc1
2.85	AttenGpKa training set	1	0	Nc1ccc(S(=O)(=O)[NH2+]n2cnnc2)cc1,Nc1ccc(S(=O)(=O)Nn2cn[nH+]c2)cc1,[NH3+]c1ccc(S(=O)(=O)Nn2cnnc2)cc1	Nc1ccc(S(=O)(=O)Nn2cnnc2)cc1	mol28428	Nc1ccc(S(=O)(=O)Nn2cnnc2)cc1