pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.4	OCHEM	1	0	CCc1cc(C(N)=S)cc[nH+]1	CCc1cc(C(N)=S)ccn1	mol2275	CCc1cc(C(N)=S)ccn1
4.37	AttenGpKa training set	1	0	CCc1cc(C(N)=S)cc[nH+]1	CCc1cc(C(N)=S)ccn1	mol2275	CCc1cc(C(N)=S)ccn1