pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
9.77999973297119	QSARToolbox	1	0	Cc1ccc(S(=O)(=O)OC[C@H]2C[NH+]3CCC2CC3)cc1	Cc1ccc(S(=O)(=O)OC[C@H]2CN3CCC2CC3)cc1	mol24680	Cc1ccc(S(=O)(=O)OCC2CN3CCC2CC3)cc1
9.78	AttenGpKa training set	1	0	Cc1ccc(S(=O)(=O)OC[C@H]2C[NH+]3CCC2CC3)cc1	Cc1ccc(S(=O)(=O)OC[C@H]2CN3CCC2CC3)cc1	mol24680	Cc1ccc(S(=O)(=O)OCC2CN3CCC2CC3)cc1