06966 IUPAC Gold Book - MOL file format 10.1351/goldbook.MT06966 MT06966 current 1 The MOL file format is used to encode chemical structures, substructures and conformations as text-based connection tables. It is used by MDL Information Systems Inc. (e.g., in their MACCS or ISIS programs). molfile https://goldbook.iupac.org//terms/view/MT06973 PAC, 1997, 69, 1137. 'Glossary of terms used in computational drug design (IUPAC Recommendations 1997)' on page 1146 (https://doi.org/10.1351/pac199769051137) https://goldbook.iupac.org/terms/view/MT06966/html https://goldbook.iupac.org/terms/view/MT06966/json https://goldbook.iupac.org/terms/view/MT06966/plain Citation: 'MOL file format' in IUPAC Compendium of Chemical Terminology, 5th ed. International Union of Pure and Applied Chemistry; 2025. Online version 5.0.0, 2025. 10.1351/goldbook.MT06966 The IUPAC Gold Book is licensed under Creative Commons Attribution-ShareAlike CC BY-SA 4.0 International (https://creativecommons.org/licenses/by-sa/4.0/) for individual terms. If you are interested in licensing the Gold Book for commercial use, please contact the IUPAC Executive Director at executivedirector@iupac.org . The International Union of Pure and Applied Chemistry (IUPAC) is continuously reviewing and, where needed, updating terms in the Compendium of Chemical Terminology (the IUPAC Gold Book). Users of these terms are encouraged to include the version of a term with its use and to check regularly for updates to term definitions that you are using. 2026-04-18T17:36:41+00:00