Chemical table file

The formats were created by MDL Information Systems (MDL), which was acquired by Symyx Technologies then merged with Accelrys Corp., and now called BIOVIA, a subsidiary of Dassault Systemes of Dassault Group.

[2] BIOVIA requires users to register to download the CT file format specifications.

[3] An MDL Molfile is a file format for holding information about the atoms, bonds, connectivity and coordinates of a molecule.

The molfile is sufficiently common that most, if not all, cheminformatics software systems/applications are able to read the format, though not always to the same degree.

The current de facto standard version is molfile V2000, although, more recently, the V3000 format has been circulating widely enough to present a potential compatibility issue for those applications that are not yet V3000-capable.

This requirement is frequently violated in practice, as many SMILES and InChI strings exceed that length.