pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
5.515	AttenGpKa training set	0	-1	Nc1ccc(S(=O)(=O)Nc2ccc(Cl)nn2)cc1	Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)nn2)cc1	mol28574	Nc1ccc(S(=O)(=O)Nc2ccc(Cl)nn2)cc1
1.87	AttenGpKa training set	1	0	[NH3+]c1ccc(S(=O)(=O)Nc2ccc(Cl)nn2)cc1,Nc1ccc(S(=O)(=O)[NH2+]c2ccc(Cl)nn2)cc1,Nc1ccc(S(=O)(=O)Nc2ccc(Cl)[nH+]n2)cc1	Nc1ccc(S(=O)(=O)Nc2ccc(Cl)nn2)cc1	mol28574	Nc1ccc(S(=O)(=O)Nc2ccc(Cl)nn2)cc1