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. 2018 Aug 10;10:36. doi: 10.1186/s13321-018-0293-8

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© The Author(s) 2018

Open AccessThis article is distributed under the terms of the Creative Commons Attribution 4.0 International License (http://creativecommons.org/licenses/by/4.0/), which permits unrestricted use, distribution, and reproduction in any medium, provided you give appropriate credit to the original author(s) and the source, provide a link to the Creative Commons license, and indicate if changes were made. The Creative Commons Public Domain Dedication waiver (http://creativecommons.org/publicdomain/zero/1.0/) applies to the data made available in this article, unless otherwise stated.

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Fig. 19 — Differences between PubChem-standardized and InChI-derived structures—protonation. Sulfuric acid is the most commonly deposited structure in PubChem. The structures shown in a with their SIDs are normalized to the protonated form of sulfuric acid b by InChI normalization but not by PubChem standardization, which does not alter them at all