pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
8.85	AttenGpKa training set	0	-1	Cc1ncc(CO)c(CS)c1O,Cc1[nH+]cc(CO)c(CS)c1[O-]	Cc1ncc(CO)c(C[S-])c1O,Cc1ncc(CO)c(CS)c1[O-]	mol25105	Cc1ncc(CO)c(CS)c1O
4.45	AttenGpKa training set	1	0	Cc1[nH+]cc(CO)c(CS)c1O	Cc1ncc(CO)c(CS)c1O,Cc1[nH+]cc(CO)c(CS)c1[O-]	mol25105	Cc1ncc(CO)c(CS)c1O