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The SMD offers users an extensive collection of structures and properties or organic molecules that have been conformationally searched (with MMFF) and structurally optimized at up to 10 Quantum Mechanical theoretical models.

The Spartan Spectra and Properties Database (SSPD) is a collection of infrared and proton and 13C NMR spectra, together with a variety of atomic and molecular properties, QSAR descriptors and thermodynamic properties for ~250,000 molecules with molecular weights up to 500 amu.