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S32 | REACH2017 | >68,600 REACH Chemicals

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https://zenodo.org/record/2653020
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资源简介:
This is the collection associated with list S32 REACH2017 on the NORMAN Suspect List Exchange. https://www.norman-network.com/nds/SLE/ S32 | REACH2017 | >68,600 REACH Chemicals A list of >68,600 REACH chemicals including InChIKeys and spectral information, provided by N. Alygizakis and J. Slobodnik, EI.  Update 14 Nov 2019: added CSV. Feb 6th, 2020: edited SMILES in CSV to remove \\ (fixed_SMILES column); edited more SMILES. Nov 6, 2020: fixed entry for (2H5)benzoic acid based on feedback from PubChem. 17 July 2022: more SMILES fixes (CSV only).
创建时间:
2022-07-17
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