pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.02	AttenGpKa training set	0	-1	Cc1ccc(C(=O)c2c(C)nn(-c3ccccc3)c2O)cc1	Cc1ccc(C(=O)c2c(C)nn(-c3ccccc3)c2[O-])cc1	mol25612	Cc1ccc(C(=O)c2c(C)nn(-c3ccccc3)c2O)cc1