List of target compounds (for liquid chromatography) measured at EXPO department, UFZ (Leipzig, Germany)
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InChIKey full InChiKey InChIKey_block1 first block of InChiKey SMILES Canonical SMILES DTXSID Comptox Chemicals Dashboard Substance ID, https://comptox.epa.gov/dashboard/ (if missing in CTD, Inchikey) CAS_fixed CAS number as text to avoid conversion to date Inchikey_CTD Inchikey from Comptox Dashboard SMILES_CTD SMILES from Comptox Dashboard
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Zenodo创建时间：
2025-09-02
