KNIME CDK Integration version 1.5.700.v201907251211 by KNIME GmbH, Konstanz and EMBL-EBI, Cambridge
As a prerequisite for the calculation of 3D coordinates, all hydrogens are converted to explicit hydrogens for template recognition.
The resulting molecular structures have 3D coordinates calculated for all atoms, including the explicit hydrogens. Molecular structures
for which the calculations failed are returned as missing values.
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