gistfile1.txt

Parsed C(=O)(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)O into CDKMolecule:C6HF11O2
InChIKey match: http://www.wikidata.org/entity/Q27156874
PubChem CID match: http://www.wikidata.org/entity/Q27156874
====================
C₆HF₁₁O₂ is already in Wikidata as http://www.wikidata.org/entity/Q27156874
Full stereochemistry is defined
====================
Parsed C(=O)(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)O into CDKMolecule:C7HF13O2
InChIKey match: http://www.wikidata.org/entity/Q27116513
PubChem CID match: http://www.wikidata.org/entity/Q27116513
====================
C₇HF₁₃O₂ is already in Wikidata as http://www.wikidata.org/entity/Q27116513
Full stereochemistry is defined
====================
Parsed C(=O)(C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)O into CDKMolecule:C9HF17O2
InChIKey match: http://www.wikidata.org/entity/Q7168161
PubChem CID match: http://www.wikidata.org/entity/Q7168161
====================
C₉HF₁₇O₂ is already in Wikidata as http://www.wikidata.org/entity/Q7168161
Full stereochemistry is defined
====================
Parsed C(=O)(C(C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)O into CDKMolecule:C10HF19O2
InChIKey match: http://www.wikidata.org/entity/Q27116511
PubChem CID match: http://www.wikidata.org/entity/Q27116511
====================
C₁₀HF₁₉O₂ is already in Wikidata as http://www.wikidata.org/entity/Q27116511
Full stereochemistry is defined
====================
Parsed C(C(C(F)(F)S(=O)(=O)O)(F)F)(C(F)(F)F)(F)F into CDKMolecule:C4HF9O3S
InChIKey match: http://www.wikidata.org/entity/Q410426
PubChem CID match: http://www.wikidata.org/entity/Q410426
====================
C₄HF₉O₃S is already in Wikidata as http://www.wikidata.org/entity/Q410426
Full stereochemistry is defined
====================
Parsed C(C(C(C(F)(F)S(=O)(=O)O)(F)F)(F)F)(C(C(F)(F)F)(F)F)(F)F into CDKMolecule:C6HF13O3S
InChIKey match: http://www.wikidata.org/entity/Q26833878
PubChem CID match: http://www.wikidata.org/entity/Q26833878
====================
C₆HF₁₃O₃S is already in Wikidata as http://www.wikidata.org/entity/Q26833878
Full stereochemistry is defined
====================
Parsed C(=O)(C(C(C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)O into CDKMolecule:C11HF21O2
InChIKey match: http://www.wikidata.org/entity/Q27156875
PubChem CID match: http://www.wikidata.org/entity/Q27156875
====================
C₁₁HF₂₁O₂ is already in Wikidata as http://www.wikidata.org/entity/Q27156875
Full stereochemistry is defined
====================
Parsed CCN(CC(=O)O)S(=O)(=O)C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F into CDKMolecule:C12H8F17NO4S
InChIKey match: http://www.wikidata.org/entity/Q27156890
PubChem CID match: http://www.wikidata.org/entity/Q27156890
====================
C₁₂H₈F₁₇NO₄S is already in Wikidata as http://www.wikidata.org/entity/Q27156890
Full stereochemistry is defined
====================
Parsed CN(CC(=O)O)S(=O)(=O)C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F into CDKMolecule:C11H6F17NO4S
InChIKey match: http://www.wikidata.org/entity/Q27156889
PubChem CID match: http://www.wikidata.org/entity/Q27156889
====================
C₁₁H₆F₁₇NO₄S is already in Wikidata as http://www.wikidata.org/entity/Q27156889
Full stereochemistry is defined
====================
Parsed C1(C(O1)(F)F)(C(F)(F)F)F into CDKMolecule:C3F6O
InChIKey match: http://www.wikidata.org/entity/Q2693924
PubChem CID match: http://www.wikidata.org/entity/Q2693924
====================
C₃F₆O is already in Wikidata as http://www.wikidata.org/entity/Q2693924
Compound has missing stereo on # of centers: 1
====================
Parsed C(=O)(C(C(C(C(C(C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)O into CDKMolecule:C14HF27O2
InChIKey match: http://www.wikidata.org/entity/Q63399417
PubChem CID match: http://www.wikidata.org/entity/Q63399417
====================
C₁₄HF₂₇O₂ is already in Wikidata as http://www.wikidata.org/entity/Q63399417
Full stereochemistry is defined
====================
Parsed C(=O)(C(C(C(C(C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)O into CDKMolecule:C13HF25O2
InChIKey match: http://www.wikidata.org/entity/Q81978179
PubChem CID match: http://www.wikidata.org/entity/Q81978179
====================
C₁₃HF₂₅O₂ is already in Wikidata as http://www.wikidata.org/entity/Q81978179
Full stereochemistry is defined
====================
Parsed C(C(C(=O)O)(F)F)(OC(C(C(OC(F)(F)F)(F)F)(F)F)(F)F)F into CDKMolecule:C7H2F12O4
InChIKey match: http://www.wikidata.org/entity/Q81981675
PubChem CID match: http://www.wikidata.org/entity/Q81981675
====================
C₇H₂F₁₂O₄ is already in Wikidata as http://www.wikidata.org/entity/Q81981675
Compound has missing stereo on # of centers: 1
====================
Parsed FC(Cl)(C(F)(C(F)(F)C(F)(F)C(F)(F)OC(F)(F)C(F)(S(=O)(O[K])=O)F)F)F into CDKMolecule:C7ClF14KO4S
====================
C₇ClF₁₄KO₄S is not yet in Wikidata
Full stereochemistry is defined
====================
Parsed FC(F)(C(F)(C(O)=O)F)C(F)(F)F into CDKMolecule:C4HF7O2
InChIKey match: http://www.wikidata.org/entity/Q5732020
PubChem CID match: http://www.wikidata.org/entity/Q5732020
====================
C₄HF₇O₂ is already in Wikidata as http://www.wikidata.org/entity/Q5732020
Full stereochemistry is defined
====================
Parsed C(=O)(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)O into CDKMolecule:C5HF9O2
InChIKey match: http://www.wikidata.org/entity/Q27156873
PubChem CID match: http://www.wikidata.org/entity/Q27156873
====================
C₅HF₉O₂ is already in Wikidata as http://www.wikidata.org/entity/Q27156873
Full stereochemistry is defined
====================
Parsed C(C(F)(F)F)(OC(C(C(F)(F)F)(OC(C(F)(F)S(=O)(=O)O)(F)F)F)(F)F)F into CDKMolecule:C7H2F14O5S
InChIKey match: http://www.wikidata.org/entity/Q63086047
PubChem CID match: http://www.wikidata.org/entity/Q63086047
====================
C₇H₂F₁₄O₅S is already in Wikidata as http://www.wikidata.org/entity/Q63086047
Compound has missing stereo on # of centers: 2
====================
Parsed C(=O)(C(OC(OC(OC(OC(F)(F)F)(F)F)(F)F)(F)F)(F)F)O into CDKMolecule:C6HF11O6
InChIKey match: http://www.wikidata.org/entity/Q63087210
PubChem CID match: http://www.wikidata.org/entity/Q63087210
====================
C₆HF₁₁O₆ is already in Wikidata as http://www.wikidata.org/entity/Q63087210
Full stereochemistry is defined
====================
Parsed C(=O)(C(OC(OC(OC(OC(OC(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)O into CDKMolecule:C7HF13O7
InChIKey match: http://www.wikidata.org/entity/Q63087310
PubChem CID match: http://www.wikidata.org/entity/Q63087310
====================
C₇HF₁₃O₇ is already in Wikidata as http://www.wikidata.org/entity/Q63087310
Full stereochemistry is defined
====================
Parsed C(=O)(C(C(F)(F)F)(OC(C(OC(C(C(F)(F)F)(F)F)(F)F)(F)F)(C(F)(F)F)F)F)O into CDKMolecule:C9HF17O4
====================
C₉HF₁₇O₄ is not yet in Wikidata
Compound has missing stereo on # of centers: 2
====================
Parsed C(C(C(C(C(F)(F)S(=O)(=O)O)(F)F)(F)F)(F)F)(C(C(C(F)(F)F)(F)F)(F)F)(F)F into CDKMolecule:C8HF17O3S
InChIKey match: http://www.wikidata.org/entity/Q902094
PubChem CID match: http://www.wikidata.org/entity/Q902094
====================
C₈HF₁₇O₃S is already in Wikidata as http://www.wikidata.org/entity/Q902094
Full stereochemistry is defined
====================
Parsed C(CS(=O)(=O)O)C(C(C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F into CDKMolecule:C12H5F21O3S
InChIKey match: http://www.wikidata.org/entity/Q81982243
PubChem CID match: http://www.wikidata.org/entity/Q81982243
====================
C₁₂H₅F₂₁O₃S is already in Wikidata as http://www.wikidata.org/entity/Q81982243
Full stereochemistry is defined
====================
Parsed C(C(C(F)(F)F)(F)F)(C(C(F)(F)S(=O)(=O)O)(F)F)(F)F into CDKMolecule:C5HF11O3S
InChIKey match: http://www.wikidata.org/entity/Q81976952
PubChem CID match: http://www.wikidata.org/entity/Q81976952
====================
C₅HF₁₁O₃S is already in Wikidata as http://www.wikidata.org/entity/Q81976952
Full stereochemistry is defined
====================
Parsed C(C(C(C(F)(F)F)(F)F)(F)F)(C(C(C(F)(F)S(=O)(=O)O)(F)F)(F)F)(F)F into CDKMolecule:C7HF15O3S
InChIKey match: http://www.wikidata.org/entity/Q72500529
PubChem CID match: http://www.wikidata.org/entity/Q72500529
====================
C₇HF₁₅O₃S is already in Wikidata as http://www.wikidata.org/entity/Q72500529
Full stereochemistry is defined
====================
Parsed C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(C(C(C(C(F)(F)S(=O)(=O)O)(F)F)(F)F)(F)F)(F)F into CDKMolecule:C9HF19O3S
InChIKey match: http://www.wikidata.org/entity/Q81977022
PubChem CID match: http://www.wikidata.org/entity/Q81977022
====================
C₉HF₁₉O₃S is already in Wikidata as http://www.wikidata.org/entity/Q81977022
Full stereochemistry is defined
====================
Parsed C(C(C(C(C(C(F)(F)S(=O)(=O)O)(F)F)(F)F)(F)F)(F)F)(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F into CDKMolecule:C10HF21O3S
InChIKey match: http://www.wikidata.org/entity/Q27279828
PubChem CID match: http://www.wikidata.org/entity/Q27279828
====================
C₁₀HF₂₁O₃S is already in Wikidata as http://www.wikidata.org/entity/Q27279828
Full stereochemistry is defined
====================
Parsed C(=O)(C(C(F)(F)F)(OC(C(C(F)(F)F)(OC(C(C(F)(F)F)(F)F)(F)F)F)(F)F)F)F into CDKMolecule:C9F18O3
InChIKey match: http://www.wikidata.org/entity/Q27265174
PubChem CID match: http://www.wikidata.org/entity/Q27265174
====================
C₉F₁₈O₃ is already in Wikidata as http://www.wikidata.org/entity/Q27265174
Compound has missing stereo on # of centers: 2
====================

@egonw How exactly did you run this? Can I put this in a github action bot between our software. That can be a link.

It's currently a Groovy script. I have yet to figure out how to most easy use Groovy in GitHub Actions.

Want to give me a shot?

I could not ask that (everyone is so busy). I would be very welcome for me to learn how to do this. I don't have time myself right now. But please do this only if it benefits you (too).

This actually would be beneficial for me looking back at it, we can code together since it would be good for me to learn too and I can add it as another bot into my stuff.

Right now I have so much work that I cannot say much about if I can "code together". After summer I have so much work-related work that I am behind. So, my feedback/coding will be sporadic, infrequent, etc. That said, this is where I am / we are right now:

• WikiPathways is adopting actions, e.g. https://github.com/wikipathways/wikipathways-database/tree/main/.github/workflows
• we need something for the "uses:" that had a recent Groovy pre-installed

Then a combination of wget to get the script to do something and a groovy call would then do, I think.