A computer text file that follows a specified format in which each molecule is described by 2D or 3D coordinates, atom type, and connectivity to other atoms
and also specific user-definable fields that contain other information such as name and biological or chemical properties.
Source:
PAC, 2016, 88, 239. 'Glossary of terms used in computational drug design, part II (IUPAC Recommendations 2015)' on page 256 (https://doi.org/10.1515/pac-2012-1204)