pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
3.06	IUPAC digitized pKa	1	0	C#CC[NH2+]c1ccccc1	C#CCNc1ccccc1	mol3372	C#CCNc1ccccc1
3.0599999	OCHEM	1	0	C#CC[NH2+]c1ccccc1	C#CCNc1ccccc1	mol3372	C#CCNc1ccccc1
3.07	AttenGpKa training set	1	0	C#CC[NH2+]c1ccccc1	C#CCNc1ccccc1	mol3372	C#CCNc1ccccc1