pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
9.51	Datawarrior	0	-1	Cc1cccc(S(N)(=O)=O)c1	Cc1cccc(S([NH-])(=O)=O)c1	mol14232	Cc1cccc(S(N)(=O)=O)c1
9.5100002	OCHEM	0	-1	Cc1cccc(S(N)(=O)=O)c1	Cc1cccc(S([NH-])(=O)=O)c1	mol14232	Cc1cccc(S(N)(=O)=O)c1
9.785	AttenGpKa training set	0	-1	Cc1cccc(S(N)(=O)=O)c1	Cc1cccc(S([NH-])(=O)=O)c1	mol14232	Cc1cccc(S(N)(=O)=O)c1