pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
6.77	AttenGpKa training set	0	-1	O=C(c1ccccc1)c1cccc(NS(=O)(=O)CF)c1	O=C(c1ccccc1)c1cccc([N-]S(=O)(=O)CF)c1	mol28619	O=C(c1ccccc1)c1cccc(NS(=O)(=O)CF)c1