pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
1.8	Datawarrior	0	-1	CCO[P@](=O)(O)NS(=O)(=O)c1ccccc1	CCO[P@](=O)([O-])NS(=O)(=O)c1ccccc1,CCO[P@](=O)(O)[N-]S(=O)(=O)c1ccccc1	mol14470	CCOP(=O)(O)NS(=O)(=O)c1ccccc1
1.79999995231628	QSARToolbox	0	-1	CCO[P@](=O)(O)NS(=O)(=O)c1ccccc1	CCO[P@](=O)([O-])NS(=O)(=O)c1ccccc1,CCO[P@](=O)(O)[N-]S(=O)(=O)c1ccccc1	mol14470	CCOP(=O)(O)NS(=O)(=O)c1ccccc1
6.5	Datawarrior	-1	-2	CCO[P@](=O)([O-])NS(=O)(=O)c1ccccc1,CCO[P@](=O)(O)[N-]S(=O)(=O)c1ccccc1	CCO[P@](=O)([O-])[N-]S(=O)(=O)c1ccccc1	mol14470	CCOP(=O)(O)NS(=O)(=O)c1ccccc1