pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
1.16	AttenGpKa training set	1	0	C[n+]1ccc(S)nc1	C[n+]1ccc([S-])nc1	mol25715	C[n+]1ccc(S)nc1