pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
2.33	OCHEM	0	-1	Cc1nc(C)c(C)c(S(=O)(=O)[O-])[nH+]1,Cc1nc(C)c(C)c(S(=O)(=O)O)n1,Cc1nc(S(=O)(=O)[O-])c(C)c(C)[nH+]1	Cc1nc(C)c(C)c(S(=O)(=O)[O-])n1	mol7536	Cc1nc(C)c(C)c(S(=O)(=O)O)n1
2.32999992370605	QSARToolbox	0	-1	Cc1nc(C)c(C)c(S(=O)(=O)[O-])[nH+]1,Cc1nc(C)c(C)c(S(=O)(=O)O)n1,Cc1nc(S(=O)(=O)[O-])c(C)c(C)[nH+]1	Cc1nc(C)c(C)c(S(=O)(=O)[O-])n1	mol7536	Cc1nc(C)c(C)c(S(=O)(=O)O)n1