...for deposition and classification tree

...based on call with Evan ...

...to attempt to reorder the SLE lists in numerical order in the List of Lists sections

...to Dec 30, 2022 version

... updated transformation mappings

...with Emma Palm's first dataset! New structures and transformations...

added first set of transformations from Emma Palm

...in mapping files

added radical IKs

added CIDs for freshly-deposited entries, added the two radicals deposited via SDF with SMILES matching the preferred representation from deposition (since 4 SMILES collapsed to 2 CIDs/IKs). No accompanying transformations yet, these are still WiP.

...more changes from Evan to come where we can then trim down duplicates...

...with several new structures for deposition.

...excluding radicals from the Wanxin Li dataset

...so that they will display before wording is updated...

added new annotation file with InChIKeys mapped / added for ACES. The deposition file did not change (just the record number was updated).

...and fixed two other minor formatting issues for other list mappings

...to add new version of S74

added Barisci transformations

fixed non-stereo CID with stereo CID (163201609 => 166001338)

Updated with new InChIKey with stereo

fixed MS/MS spectra to be more legible

added synonym for updated structure with stereochem (CID 163201609 => 166001338). Left in synonym for old CID as it's still valid, but will probably go non-live soon.

A first go at tool tips for the new section.  Some of these are currently redundant (i.e. two alternatives for one eventual node header)

Entries in wikidata with CxSMILES entries, many of which have CAS numbers

Updates according to feedback from Leon, added some IUPAC names

...new release 2022.12

Added names and EC numbers for the new CIDs in S100 PFASREACH

...added in new CIDs following deposition. No new entries

added Monomer to the types

...some CompTox CID counts still mismatched.

...with new CompTox list, plus updating lots of CIDs (many counts shifted down)

...one new list (CCL5PFAS). Several CID numbers have shifted

note some CIDs are missing, will have to be added post deposition

...to the mapping files. A milestone list! (even if we already added 101 and 103...)

... to mapping files. S100 to come soon.