pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
10.89	Datawarrior	0	-1	Nc1ccc(S(=O)(=O)NCc2ccco2)cc1	Nc1ccc(S(=O)(=O)[N-]Cc2ccco2)cc1	mol15167	Nc1ccc(S(=O)(=O)NCc2ccco2)cc1
10.88	AttenGpKa training set	0	-1	Nc1ccc(S(=O)(=O)NCc2ccco2)cc1	Nc1ccc(S(=O)(=O)[N-]Cc2ccco2)cc1	mol15167	Nc1ccc(S(=O)(=O)NCc2ccco2)cc1
2.25	Datawarrior	1	0	Nc1ccc(S(=O)(=O)[NH2+]Cc2ccco2)cc1,[NH3+]c1ccc(S(=O)(=O)NCc2ccco2)cc1	Nc1ccc(S(=O)(=O)NCc2ccco2)cc1	mol15167	Nc1ccc(S(=O)(=O)NCc2ccco2)cc1
2.26	AttenGpKa training set	1	0	Nc1ccc(S(=O)(=O)[NH2+]Cc2ccco2)cc1,[NH3+]c1ccc(S(=O)(=O)NCc2ccco2)cc1	Nc1ccc(S(=O)(=O)NCc2ccco2)cc1	mol15167	Nc1ccc(S(=O)(=O)NCc2ccco2)cc1