pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
11.53	Datawarrior	0	-1	COc1ccc(S(=O)(=O)NCc2ccccc2)cc1	COc1ccc(S(=O)(=O)[N-]Cc2ccccc2)cc1	mol15494	COc1ccc(S(=O)(=O)NCc2ccccc2)cc1
11.5299997329712	QSARToolbox	0	-1	COc1ccc(S(=O)(=O)NCc2ccccc2)cc1	COc1ccc(S(=O)(=O)[N-]Cc2ccccc2)cc1	mol15494	COc1ccc(S(=O)(=O)NCc2ccccc2)cc1
11.55	AttenGpKa training set	0	-1	COc1ccc(S(=O)(=O)NCc2ccccc2)cc1	COc1ccc(S(=O)(=O)[N-]Cc2ccccc2)cc1	mol15494	COc1ccc(S(=O)(=O)NCc2ccccc2)cc1