pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
-0.8	AttenGpKa training set	2	1	Cn1c[nH+]c([NH+](C)C)cc1=S	CN(C)c1cc(=S)n(C)c[nH+]1,Cn1cnc([NH+](C)C)cc1=S	mol7398	CN(C)c1cc(=S)n(C)cn1