pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
8.1	AttenGpKa training set	0	-1	Cc1ccc2nc3sc(S(C)(=O)=O)cc3c(O)c2c1	Cc1ccc2nc3sc(S(C)(=O)=O)cc3c([O-])c2c1	mol29785	Cc1ccc2nc3sc(S(C)(=O)=O)cc3c(O)c2c1
4.0	AttenGpKa training set	1	0	Cc1ccc2[nH+]c3sc(S(C)(=O)=O)cc3c(O)c2c1,Cc1ccc2nc3sc(S(C)(=O)=[OH+])cc3c(O)c2c1	Cc1ccc2nc3sc(S(C)(=O)=O)cc3c(O)c2c1	mol29785	Cc1ccc2nc3sc(S(C)(=O)=O)cc3c(O)c2c1