pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
5.91	IUPAC digitized pKa	0	-1	O=S(=O)(Nc1ncccn1)c1ccccc1	O=S(=O)([N-]c1ncccn1)c1ccccc1	mol11454	O=S(=O)(Nc1ncccn1)c1ccccc1
5.9099998	OCHEM	0	-1	O=S(=O)(Nc1ncccn1)c1ccccc1	O=S(=O)([N-]c1ncccn1)c1ccccc1	mol11454	O=S(=O)(Nc1ncccn1)c1ccccc1
0.15	Datawarrior	1	0	O=S(=O)(Nc1nccc[nH+]1)c1ccccc1,O=S(=O)([NH2+]c1ncccn1)c1ccccc1	O=S(=O)(Nc1ncccn1)c1ccccc1	mol11454	O=S(=O)(Nc1ncccn1)c1ccccc1
0.15000001	OCHEM	1	0	O=S(=O)(Nc1nccc[nH+]1)c1ccccc1,O=S(=O)([NH2+]c1ncccn1)c1ccccc1	O=S(=O)(Nc1ncccn1)c1ccccc1	mol11454	O=S(=O)(Nc1ncccn1)c1ccccc1