pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
6.2	Datawarrior	0	-1	O=S1(=O)Nc2cccc3cccc1c23	O=S1(=O)[N-]c2cccc3cccc1c23	mol15117	O=S1(=O)Nc2cccc3cccc1c23
6.1999998	OCHEM	0	-1	O=S1(=O)Nc2cccc3cccc1c23	O=S1(=O)[N-]c2cccc3cccc1c23	mol15117	O=S1(=O)Nc2cccc3cccc1c23
6.19999980926514	QSARToolbox	0	-1	O=S1(=O)Nc2cccc3cccc1c23	O=S1(=O)[N-]c2cccc3cccc1c23	mol15117	O=S1(=O)Nc2cccc3cccc1c23