Fig. 26

Differences between PubChem-standardized and InChI-derived structures—tautomeric preference. Examples for tautomeric preferences not rooted in specific functional group preferences or the size of conjugated systems. a SID 1403; b SID 4970. c SID 468090. In all cases: (i) InChI-derived structure; (ii) structure after subsequent PubChem standardization