pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
6.83	IUPAC digitized pKa	1	0	[NH3+]NCc1ccccc1,N[NH2+]Cc1ccccc1	NNCc1ccccc1	mol8806	NNCc1ccccc1
6.82999992370606	QSARToolbox	1	0	[NH3+]NCc1ccccc1,N[NH2+]Cc1ccccc1	NNCc1ccccc1	mol8806	NNCc1ccccc1
6.88	AttenGpKa training set	1	0	[NH3+]NCc1ccccc1,N[NH2+]Cc1ccccc1	NNCc1ccccc1	mol8806	NNCc1ccccc1
6.665	AttenGpKa training set	1	0	[NH3+]NCc1ccccc1,N[NH2+]Cc1ccccc1	NNCc1ccccc1	mol8806	NNCc1ccccc1