pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
6.63	IUPAC digitized pKa	0	-1	Sc1cccc2c1NCCC2	[S-]c1cccc2c1NCCC2	mol7775	Sc1cccc2c1NCCC2
3.38	IUPAC digitized pKa	1	0	Sc1cccc2c1[NH2+]CCC2	Sc1cccc2c1NCCC2	mol7775	Sc1cccc2c1NCCC2