pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
9.16	IUPAC digitized pKa	1	0	CC[C@@H]1NC=[NH+]c2ccccc21	CC[C@@H]1NC=Nc2ccccc21	mol7903	CCC1NC=Nc2ccccc21
9.21	AttenGpKa training set	1	0	CC[C@@H]1NC=[NH+]c2ccccc21	CC[C@@H]1NC=Nc2ccccc21	mol7903	CCC1NC=Nc2ccccc21