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Table 4 Checker penalty scores on the current version of ChEMBL (ChEMBL 26)

From: An open source chemical structure curation pipeline using RDKit

Penalty score Penalty explanation No of compounds
6 InChI: Accepted unusual valence(s) 10
Molecule has a radical that is not found in the known list 9
Molecule has six (or more) atoms with exactly the same coordinates 50
5 InChI_RDKit/Mol stereo mismatch 810
Mol/Inchi/RDKit stereo mismatch 6
RDKit_Mol/InChI stereo mismatch 771
Molecule has a crossed bond in a ring 632
Molecule has two (or more) atoms with exactly the same coordinates 259
  1. Compounds where the exclude flag is set are excluded from this analysis