pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
3.27	AttenGpKa training set	1	0	Cn1c(-c2ccccc2)c(-c2ccccc2)[n+](O)c1-c1ccccc1	Cn1c(-c2ccccc2)c(-c2ccccc2)[n+]([O-])c1-c1ccccc1	mol25642	Cn1c(-c2ccccc2)c(-c2ccccc2)[n+](O)c1-c1ccccc1