pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
9.48	IUPAC digitized pKa	1	0	[NH3+]CCc1cscn1	NCCc1cscn1	mol1362	NCCc1cscn1
1.68	IUPAC digitized pKa	2	1	[NH3+]CCc1csc[nH+]1	[NH3+]CCc1cscn1	mol1362	NCCc1cscn1