Molecule Numbering Convention

Molecules in Open Source Antibiotics should be numbered using the convention

OSA_000123_XX_YY

where the main number is unique to a molecule, the XX refers to the salt form and last two digits (YY) are the batch number. The salt codes are

XX = No salt (free base)
CL = HCl salt
FA = Formic acid salt
TF = TFA salt

If the free base OSA_000123_XX_01 were made again as the HCl salt, its code would be OSA_000123_CL_01, whereas if it were made again as the free base its code would be OSA_000123_XX_02 and so on. This way there is only one notebook page associated with each compound ID, so it’s very easy to identify exactly what batch we are dealing with if there are any issues down the line.

This convention was discussed in https://github.com/opensourceantibiotics/murligase/issues/9 and there is a note about the additional use of "bespoke" IDs here.

The OSA Compound Master List should be used to determine the molecule number to be used, and to check for any duplicates. Do not assign a new code to a molecule until you have checked for duplicates (by searching for your molecule's SMILES and InChi strings.