pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
2.36	Datawarrior	0	-1	CC(=O)c1cc(F)cc(NC(=O)c2nnn[nH]2)c1O	CC(=O)c1cc(F)cc(NC(=O)c2nnn[n-]2)c1O,CC(=O)c1cc(F)cc(NC(=O)c2nnn[nH]2)c1[O-]	mol15497	CC(=O)c1cc(F)cc(NC(=O)c2nnn[nH]2)c1O
2.3599999	OCHEM	0	-1	CC(=O)c1cc(F)cc(NC(=O)c2nnn[nH]2)c1O	CC(=O)c1cc(F)cc(NC(=O)c2nnn[n-]2)c1O,CC(=O)c1cc(F)cc(NC(=O)c2nnn[nH]2)c1[O-]	mol15497	CC(=O)c1cc(F)cc(NC(=O)c2nnn[nH]2)c1O
8.69	Datawarrior	-1	-2	CC(=O)c1cc(F)cc(NC(=O)c2nnn[n-]2)c1O,CC(=O)c1cc(F)cc(NC(=O)c2nnn[nH]2)c1[O-]	CC(=O)c1cc(F)cc(NC(=O)c2nnn[n-]2)c1[O-]	mol15497	CC(=O)c1cc(F)cc(NC(=O)c2nnn[nH]2)c1O
8.6899995803833	QSARToolbox	-1	-2	CC(=O)c1cc(F)cc(NC(=O)c2nnn[n-]2)c1O,CC(=O)c1cc(F)cc(NC(=O)c2nnn[nH]2)c1[O-]	CC(=O)c1cc(F)cc(NC(=O)c2nnn[n-]2)c1[O-]	mol15497	CC(=O)c1cc(F)cc(NC(=O)c2nnn[nH]2)c1O