pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
7.63	Datawarrior	0	-1	O=S(=O)(Nc1cccc(C(F)(F)F)c1)c1ccccc1	O=S(=O)([N-]c1cccc(C(F)(F)F)c1)c1ccccc1	mol14754	O=S(=O)(Nc1cccc(C(F)(F)F)c1)c1ccccc1
7.6300001	OCHEM	0	-1	O=S(=O)(Nc1cccc(C(F)(F)F)c1)c1ccccc1	O=S(=O)([N-]c1cccc(C(F)(F)F)c1)c1ccccc1	mol14754	O=S(=O)(Nc1cccc(C(F)(F)F)c1)c1ccccc1
7.40000009536743	QSARToolbox	0	-1	O=S(=O)(Nc1cccc(C(F)(F)F)c1)c1ccccc1	O=S(=O)([N-]c1cccc(C(F)(F)F)c1)c1ccccc1	mol14754	O=S(=O)(Nc1cccc(C(F)(F)F)c1)c1ccccc1
7.4	AttenGpKa training set	0	-1	O=S(=O)(Nc1cccc(C(F)(F)F)c1)c1ccccc1	O=S(=O)([N-]c1cccc(C(F)(F)F)c1)c1ccccc1	mol14754	O=S(=O)(Nc1cccc(C(F)(F)F)c1)c1ccccc1