pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.3	IUPAC digitized pKa	1	0	N#CCCn1c[nH+]c2ccccc21	N#CCCn1cnc2ccccc21	mol4499	N#CCCn1cnc2ccccc21