Hi, Version 2.3.x is declaring lots of double bonds to not be cis or trans that version 2.2.x thought were. In many cases 2.3.x is actually correct: the cis/trans spec in the bond block didn't match the 2D coordinates or was just plain wrong (for example, two "down" bonds on the same atom), so the SMILES from version 2.2.x was wrong and 2.3.x is correct to ignore it.
However, I'm finding a lot of cases like three molecules in the attached SDF. It has 2D coordinates that indicate a cis or trans configuration, and the two single bonds adjacent to the double bond are correctly marked in each case. Yet when the SMILES has no cis/trans information. Strangely, this doesn't happen all the time. Lots of SMILES come out with the proper cis/trans configuration. Thanks, Craig OB 2.2.x: $ babel no-dbstereo.sdf -o can OC/C=C\CO CC(=O)/C=C/c1ccccc1 ClC/C=C\CCl OB 2.3.x: $ babel no-dbstereo.sdf -o can OCC=CCO CC(=O)C=Cc1ccccc1 ClCC=CCCl
no-dbstereo.sdf
Description: Binary data
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