pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
-4.96	AttenGpKa training set	2	1	NC(=[SH+])NC(=[OH+])c1cccc(Cl)c1	NC(=S)NC(=[OH+])c1cccc(Cl)c1,NC(=[SH+])NC(=O)c1cccc(Cl)c1	mol27554	NC(=S)NC(=O)c1cccc(Cl)c1
-4.73	AttenGpKa training set	2	1	NC(=[SH+])NC(=[OH+])c1cccc(Cl)c1	NC(=S)NC(=[OH+])c1cccc(Cl)c1,NC(=[SH+])NC(=O)c1cccc(Cl)c1	mol27554	NC(=S)NC(=O)c1cccc(Cl)c1