pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
3.15	AttenGpKa training set	1	0	Cc1cc(C)[n+](C)c(S)n1	Cc1cc(C)[n+](C)c([S-])n1	mol25758	Cc1cc(C)[n+](C)c(S)n1