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It allows for spectrum prediction (13C, 1H and other nuclei) as well as for searching spectra, structures and other properties. Last not least, it features peer-reviewed submission of datasets by its users.", "name_long": "NMRShiftDB", "src_compound_id": ["60018661"], "base_id_url": "http://nmrshiftdb.org/molecule/", "src_id": 24, "aux_for_url": false, "base_id_url_available": true, "name_label": "NMRShiftDB", "src_url": "http://nmrshiftdb.org/molecule/60018661"}, {"name": "emolecules", "description": "A free chemical structure search engine containing millions of public domain structures. Pricing, availabilities, and vendor information requires an eMolecules Plus subscription.", "name_long": "eMolecules", "src_compound_id": ["29933802"], "base_id_url": "https://www.emolecules.com/cgi-bin/more?vid=", "src_id": 10, "aux_for_url": false, "base_id_url_available": true, "name_label": "eMolecules", "src_url": "https://www.emolecules.com/cgi-bin/more?vid=29933802"}, {"name": "emolecules", "description": "A free chemical structure search engine containing millions of public domain structures. Pricing, availabilities, and vendor information requires an eMolecules Plus subscription.", "name_long": "eMolecules", "src_compound_id": ["477858"], "base_id_url": "https://www.emolecules.com/cgi-bin/more?vid=", "src_id": 10, "aux_for_url": false, "base_id_url_available": true, "name_label": "eMolecules", "src_url": "https://www.emolecules.com/cgi-bin/more?vid=477858"}, {"name": "chebi", "description": "ChEBI is a freely available dictionary of molecular entities focused on 'small' chemical compounds", "name_long": "ChEBI (Chemical Entities of Biological Interest).", "src_compound_id": ["30997"], "base_id_url": "http://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI%3A", "src_id": 7, "aux_for_url": false, "base_id_url_available": true, "name_label": "ChEBI", "src_url": "http://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI%3A30997"}, {"name": "mcule", "description": "An online drug discovery platform with virtual screening and molecular modelling services.", "name_long": "Mcule", "src_compound_id": ["MCULE-9613598415"], "base_id_url": "https://mcule.com/", "src_id": 23, "aux_for_url": false, "base_id_url_available": true, "name_label": "Mcule", "src_url": "https://mcule.com/MCULE-9613598415"}, {"name": "surechembl", "description": "SureChEMBL automatically extracts chemistry from the full text of all major patent authorities. Compounds are derived from either chemical names found in text or in chemical depictions. All SureChEMBL compounds are included, except those failing UniChem loading rules.", "name_long": "SureChEMBL", "src_compound_id": ["SCHEMBL195289"], "base_id_url": "https://www.surechembl.org/chemical/", "src_id": 15, "aux_for_url": false, "base_id_url_available": true, "name_label": "SureChEMBL", "src_url": "https://www.surechembl.org/chemical/SCHEMBL195289"}, {"name": "nikkaji", "description": " Nakkaji (The Japan Chemical Substance Dictionary) is an organic compound dictionary database prepared by the Japan Science and Technology Agency (JST).", "name_long": "Nikkaji", "src_compound_id": ["J12.571G"], "base_id_url": "http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=", "src_id": 29, "aux_for_url": false, "base_id_url_available": true, "name_label": "Nikkaji", "src_url": "http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J12.571G"}, {"name": "molport", "description": "MolPort. A database designed to assist users find commercial sources of compounds. Access requires (free) registration. Only stock compounds included from Nov 2017.", "name_long": "MolPort", "src_compound_id": ["MolPort-002-507-094"], "base_id_url": "https://www.molport.com/shop/molecule-link/", "src_id": 28, "aux_for_url": false, "base_id_url_available": true, "name_label": "MolPort", "src_url": "https://www.molport.com/shop/molecule-link/MolPort-002-507-094"}, {"name": "chembl", "description": "A database of bioactive drug-like small molecules and bioactivities abstracted from the scientific literature.", "name_long": "ChEMBL", "src_compound_id": ["CHEMBL3138649"], "base_id_url": "https://www.ebi.ac.uk/chembldb/compound/inspect/", "src_id": 1, "aux_for_url": false, "base_id_url_available": true, "name_label": "ChEMBL", "src_url": "https://www.ebi.ac.uk/chembldb/compound/inspect/CHEMBL3138649"}, {"name": "pdb", "description": "The European resource for the collection, organisation and dissemination of data on biological macromolecular structures, including structures of small molecule ligands for proteins.", "name_long": "PDBe (Protein Data Bank Europe)", "src_compound_id": ["4PW"], "base_id_url": "http://www.ebi.ac.uk/pdbe-srv/pdbechem/chemicalCompound/show/", "src_id": 3, "aux_for_url": false, "base_id_url_available": true, "name_label": "PDBe", "src_url": "http://www.ebi.ac.uk/pdbe-srv/pdbechem/chemicalCompound/show/4PW"}, {"name": "zinc", "description": "A free database of commercially-available compounds for virtual screening, provided by the Shoichet Laboratory in the Department of Pharmaceutical Chemistry at the University of California, San Francisco (UCSF).  [Irwin and Shoichet, J. Chem. Inf. Model. 2005;45(1):177-82]", "name_long": "ZINC", "src_compound_id": ["ZINC000003881595"], "base_id_url": "http://zinc15.docking.org/substances/", "src_id": 9, "aux_for_url": false, "base_id_url_available": true, "name_label": "ZINC", "src_url": "http://zinc15.docking.org/substances/ZINC000003881595"}, {"name": "brenda", "description": "A comprehensive Enzyme Information system containing enzyme functional data extracted directly from the primary literature.", "name_long": "Brenda", "src_compound_id": ["186746"], "base_id_url": "https://www.brenda-enzymes.org/ligand.php?brenda_ligand_id=", "src_id": 37, "aux_for_url": false, "base_id_url_available": true, "name_label": "Brenda", "src_url": "https://www.brenda-enzymes.org/ligand.php?brenda_ligand_id=186746"}, {"name": "fdasrs", "description": "The primary goal of the FDA/USP Substance Registration System (SRS) is to unambiguously define all substances present in regulated products. Once a substance has been defined, the SRS assigns a strong identifier that is permanently associated with the substance: a UNII (Unique Ingredient Identifier). This is a a non-proprietary, free, unique, unambiguous, nonsemantic, alphanumeric identifier based on a substances molecular structure and/or descriptive information.", "name_long": "FDA/USP Substance Registration System (SRS)", "src_compound_id": ["5132N17FSD"], "base_id_url": "https://precision.fda.gov/uniisearch/srs/unii/", "src_id": 14, "aux_for_url": false, "base_id_url_available": true, "name_label": "FDA SRS", "src_url": "https://precision.fda.gov/uniisearch/srs/unii/5132N17FSD"}]