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Deep Data

Chemical Compounds
Mol (SDF) File

Mol-Instincts Web-Information Project

Instant Mol (SDF) File For Download

The structural data file (Mol/SDF file) of chemical compounds is an integrated part of chemistry-related software packages to perform various scientific analysis. Most of the visualization programs as well as computational software are based on structural data files, which are frequently unavailable on the web. For our Mol-Instincts customers, we have developed an automatic process to generate the structural data file of chemical compounds available for download on the web. The structural data file can instantly be found by Google search as long as Google indexes them.

The total number of chemical compounds processed so far is over 100 millions. We will continuously update the additional structural data file of rare chemical compounds.

How to Find Mol (SDF) File using Google Search

Finding the structural data file (Mol/SDF file) by Googling is fairly simple. Just type your input text and add ‘Mol-Instincts’ in the Google search screen.

For instance, if you wish to find the mol file of cholesterol, simply type, google search capture image
You can use other text instead of the chemical name (cholesterol) such as CAS number or InChI key, or any other information you may have.

What’s Available

In addition to the structural data file (Mol/SDF file), basic molecular information such as formula, chemical identifier, e.g., IUPAC name, SMILES String, InChI, etc., as well as a 2-dimensional and 3-dimensional images are provided.

Click the following link to visit an example page:

Example Page

Cholesterol SDF/Mol File - C27H46O | Mol-Instincts

Mol-Instincts Web-Information Project

The structural data file (Mol/SDF file) generation engine was developed as a part of Mol-Instincts platform to process millions of chemical compounds at a time on an automatic basis, which is executed on a parallel computational platform equipped with thousands of CPU cores.

The engine is now applied to generate the structural data file (Mol/SDF file) available on the web, targeting billions of structural data files to be generated in a few years.