Dear RDKiters, I'm having the following problem. I have a workflow that standardises compounds and as part of the process it generates standard InChI and InChIkey for the compound. The output is stored in an SDF. If I parse the SDF to a dataframe in jupyter notebook, then use the mol object to generate standard inchi, for a small number of compounds the new standard InChI is slightly different than the one generated in Knime environment.
Environments Details: - RDKit Knime Nodes: 3.8.0v201906261723 - RDKit Python (conda): 2018.09.3, 2019.03.4, 2019.09.1 See image: https://imgur.com/a/EnYoHWG Best, Christos Christos Kannas Scientific Software Developer (Cheminformatics)
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