FindIt contains over 8 million unique PubChem small organic
molecular structures. The following table shows for the 179 evaluation compounds,
at which position the correct structure is identified among these millions of compounds. 1H
is determined from a 1D proton, 13C from a 1D carbon, and 13CH (protonated
carbons only) from a DEPT-135 or HSQC NMR spectrum. "MF" represents the molecular formula. The table also lists the
number of FindIt structures with the same MF. Known chemical shifts for structures with matching NMRShiftDB IDs were
removed and not used for shift predictions, so placements are representative for unknown compounds.