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How to use "babel --append ..." command to calculate Molecule Properties? The "--append ..." option ...
Molecule Summary: ID: FYI-1003220 Names: InChIKey: JSQCMNXZFPMWES-UHFFFAOYS A-NSMILES: CC7CCC6(C(=O)...
Molecule Summary: ID: FYI-1003785 Names: InChIKey: PORCPHWGCSMBTA-UHFFFAOYS A-NSMILES: C1COCOCOCOCOC...
Molecule Summary: ID: FYI-1002059 Names: PENICILLIN; InChIKey: JGSARLDLIJGVTE-UHFFFAOYS A-NSMILES: C...
Molecule Summary: ID: FYI-1003456 Names: InChIKey: VXTSDGOABSRKIR-BLFKHSGCS A-NSMILES: CC(C)CN(C[C@@...