--- 
- 
  aux_for_url: 0
  base_id_url: https://www.ebi.ac.uk/chembldb/compound/inspect/
  base_id_url_available: 1
  description: A database of bioactive drug-like small molecules and bioactivities abstracted from the scientific literature.
  name: chembl
  name_label: ChEMBL
  name_long: ChEMBL
  src_compound_id: 
    - CHEMBL964
  src_id: 1
  src_url: https://www.ebi.ac.uk/chembl/
- 
  aux_for_url: 0
  base_id_url: http://www.drugbank.ca/drugs/
  base_id_url_available: 1
  description: A database that combines drug (i.e. chemical, pharmacological and pharmaceutical) data with drug target (i.e. sequence, structure, and pathway) information.
  name: drugbank
  name_label: DrugBank
  name_long: DrugBank
  src_compound_id: 
    - DB00822
  src_id: 2
  src_url: http://drugbank.ca/
- 
  aux_for_url: 0
  base_id_url: http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=
  base_id_url_available: 1
  description: The IUPHAR (International Union of Basic and Clinical Pharmacology)/BPS (British Pharmacological Society) Guide to PHARMACOLOGY database contains structures of small molecule ligands, peptides and antibodies, with their affinities at protein targets.
  name: gtopdb
  name_label: Guide to Pharmacology
  name_long: Guide to Pharmacology
  src_compound_id: 
    - 7168
  src_id: 4
  src_url: http://www.guidetopharmacology.org
- 
  aux_for_url: 0
  base_id_url: http://www.genome.jp/dbget-bin/www_bget?
  base_id_url_available: 1
  description: KEGG LIGAND is a composite DB consisting of COMPOUND, GLYCAN, REACTION, RPAIR, RCLASS, and ENZYME DBs, whose entries are identified by C, G, R, RP, RC, and EC numbers, respectively.
  name: kegg_ligand
  name_label: KEGG Ligand
  name_long: KEGG (Kyoto Encyclopedia of Genes and Genomes) Ligand
  src_compound_id: 
    - C01692
  src_id: 6
  src_url: http://www.genome.jp/kegg/ligand.html
- 
  aux_for_url: 0
  base_id_url: http://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI%3A
  base_id_url_available: 1
  description: ChEBI is a freely available dictionary of molecular entities focused on 'small' chemical compounds
  name: chebi
  name_label: ChEBI
  name_long: ChEBI (Chemical Entities of Biological Interest).
  src_compound_id: 
    - 4659
  src_id: 7
  src_url: http://www.ebi.ac.uk/chebi/downloadsForward.do
- 
  aux_for_url: 0
  base_id_url: ~
  base_id_url_available: 0
  description: Collections of plated arrays of small molecules that have a history of use in human clinical trials. Assembled by the National Institutes of Health (NIH) through the Molecular Libraries Roadmap Initiative
  name: nih_ncc
  name_label: NIH Clinical Collection
  name_long: NIH Clinical Collection
  src_compound_id: 
    - SAM001247028
  src_id: 8
  src_url: http://nihsmr.evotec.com/evotec/
- 
  aux_for_url: 0
  base_id_url: http://zinc.docking.org/substance/
  base_id_url_available: 1
  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: zinc
  name_label: ZINC
  name_long: ZINC
  src_compound_id: 
    - ZINC01529266
  src_id: 9
  src_url: http://zinc.docking.org/
- 
  aux_for_url: 0
  base_id_url: https://www.emolecules.com/cgi-bin/more?vid=
  base_id_url_available: 1
  description: A free chemical structure search engine containing millions of public domain structures. Pricing, availabilities, and vendor information requires an eMolecules Plus subscription.
  name: emolecules
  name_label: eMolecules
  name_long: eMolecules
  src_compound_id: 
    - 28294932
    - 531942
  src_id: 10
  src_url: https://www.emolecules.com/
- 
  aux_for_url: 0
  base_id_url: http://www-935.ibm.com/services/us/gbs/bao/siip/nih/?sid=
  base_id_url_available: 1
  description: The data are provided by IBM-NIH and include all chemistry extracted by means of text and image mining from the patent corpus (USPTO, WIPO and EPO) for patent documents published through 31-12-2010. Identifiers in UniChem are IBM compound identifiers.
  name: ibm
  name_label: IBM Patent System
  name_long: IBM strategic IP insight platform and the National Institutes of Health
  src_compound_id: 
    - 9978E1657AE11DB4668D9A59B2DB956D
  src_id: 11
  src_url: http://www-935.ibm.com/services/us/gbs/bao/siip/nih/
- 
  aux_for_url: 0
  base_id_url: http://www.ebi.ac.uk/gxa/query?geneQuery=&exactMatch=true&_exactMatch=on&organism=Any&condition=%22
  base_id_url_available: 1
  description: The Gene Expression Atlas is a semantically enriched database of meta-analysis based summary statistics over a curated subset of ArrayExpress Archive, servicing queries for condition-specific gene expression patterns as well as broader exploratory searches for biologically interesting genes/samples.
  name: atlas
  name_label: Atlas
  name_long: Gene Expression Atlas
  src_compound_id: 
    - disulfiram
  src_id: 12
  src_url: http://www.ebi.ac.uk/gxa/home
- 
  aux_for_url: 0
  base_id_url: http://fdasis.nlm.nih.gov/srs/ProxyServlet?mergeData=true&objectHandle=DBMaint&APPLICATION_NAME=fdasrs&actionHandle=default&nextPage=jsp/srs/ResultScreen.jsp&TXTSUPERLISTID=
  base_id_url_available: 1
  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: fdasrs
  name_label: FDA SRS
  name_long: FDA/USP Substance Registration System (SRS)
  src_compound_id: 
    - TR3MLJ1UAI
  src_id: 14
  src_url: http://fdasis.nlm.nih.gov/srs/srs.jsp
- 
  aux_for_url: 0
  base_id_url: https://www.surechembl.org/chemical/
  base_id_url_available: 1
  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: surechembl
  name_label: SureChEMBL
  name_long: SureChEMBL
  src_compound_id: 
    - SCHEMBL27213
  src_id: 15
  src_url: https://www.surechembl.org/search/
- 
  aux_for_url: 0
  base_id_url: http://www.pharmgkb.org/drug/
  base_id_url_available: 1
  description: PharmGKB (Pharmacogenomics Knowledgebase) is a comprehensive resource that curates knowledge about the impact of genetic variation on drug response for clinicians and researchers.
  name: pharmgkb
  name_label: PharmGKB
  name_long: PharmGKB
  src_compound_id: 
    - PA449376
  src_id: 17
  src_url: http://www.pharmgkb.org
- 
  aux_for_url: 0
  base_id_url: http://www.hmdb.ca/metabolites/
  base_id_url_available: 1
  description: "The Human Metabolome Database (HMDB) is a freely available electronic database containing detailed information about small molecule metabolites found in the human body. It is intended to be used for applications in metabolomics, clinical chemistry, biomarker discovery and general education. The database is designed to contain or link three kinds of data: 1) chemical data, 2) clinical data, and 3) molecular biology/biochemistry data"
  name: hmdb
  name_label: Human Metabolome Database
  name_long: Human Metabolome Database (HMDB)
  src_compound_id: 
    - HMDB14960
  src_id: 18
  src_url: http://www.hmdb.ca
- 
  aux_for_url: 1
  aux_src: 
    Disulfiram(Antabuse): 
      url_id: Disulfiram(Antabuse).html
  base_id_url: http://www.selleckchem.com/products/
  base_id_url_available: 1
  description: Selleck Chemicals is a supplier of biochemical products, including over 1,000 inhibitor products
  name: selleck
  name_label: Selleck
  name_long: Selleck
  src_compound_id: 
    - Disulfiram(Antabuse)
  src_id: 20
  src_url: http://www.selleckchem.com
- 
  aux_for_url: 0
  base_id_url: http://pubchem.ncbi.nlm.nih.gov/substance/
  base_id_url_available: 1
  description: "A subset of the PubChem DB: from the original depositor 'Thomson Pharma'."
  name: pubchem_tpharma
  name_label: "PubChem: Thomson Pharma "
  name_long: PubChem ('Thomson Pharma' subset)
  src_compound_id: 
    - 14751553
  src_id: 21
  src_url: http://www.thomson-pharma.com/
- 
  aux_for_url: 0
  base_id_url: http://pubchem.ncbi.nlm.nih.gov/compound/
  base_id_url_available: 1
  description: A database of normalized PubChem compounds (CIDs) from the PubChem Database.
  name: pubchem
  name_label: PubChem
  name_long: PubChem Compounds
  src_compound_id: 
    - 3117
  src_id: 22
  src_url: http://pubchem.ncbi.nlm.nih.gov
- 
  aux_for_url: 0
  base_id_url: https://mcule.com/
  base_id_url_available: 1
  description: An online drug discovery platform with virtual screening and molecular modelling services.
  name: mcule
  name_label: Mcule
  name_long: Mcule
  src_compound_id: 
    - MCULE-1443050857
  src_id: 23
  src_url: https://mcule.com
- 
  aux_for_url: 0
  base_id_url: http://nmrshiftdb.org/molecule/
  base_id_url_available: 1
  description: An NMR database (web database) for organic structures and their nuclear magnetic resonance (nmr) spectra. 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: nmrshiftdb2
  name_label: NMRShiftDB
  name_long: NMRShiftDB
  src_compound_id: 
    - 30096629
  src_id: 24
  src_url: http://nmrshiftdb.nmr.uni-koeln.de/portal/media-type/html/user/anon/page/default.psml/js_pane/P-Home
- 
  aux_for_url: 0
  base_id_url: http://lincsportal.ccs.miami.edu/entities/#/view/
  base_id_url_available: 1
  description: The LINCS DCIC facilitates and standardized the information relevant to LINCS assays as described in http://www.lincsproject.org/data/data-standards/
  name: lincs
  name_label: LINCS
  name_long: Library of Integrated Network-based Cellular Signatures
  src_compound_id: 
    - LSM-5467
  src_id: 25
  src_url: http://www.lincsproject.org/
- 
  aux_for_url: 0
  base_id_url: http://actor.epa.gov/actor/chemical.xhtml?casrn=
  base_id_url_available: 1
  description: ACToR (Aggregated Computational Toxicology Resource)
  name: actor
  name_label: ACToR
  name_long: ACToR
  src_compound_id: 
    - 97-77-8
    - 11078-22-1
  src_id: 26
  src_url: http://actor.epa.gov/actor/faces/ACToRHome.jsp
- 
  aux_for_url: 0
  base_id_url: http://nikkajiweb.jst.go.jp/nikkaji_web/pages/top_e.jsp?CONTENT=syosai&SN=
  base_id_url_available: 1
  description: " Nakkaji (The Japan Chemical Substance Dictionary) is an organic compound dictionary database prepared by the Japan Science and Technology Agency (JST)."
  name: nikkaji
  name_label: Nikkaji
  name_long: Nikkaji
  src_compound_id: 
    - J3.980B
  src_id: 29
  src_url: " http://nikkajiweb.jst.go.jp/nikkaji_web/pages/top_e.jsp"
- 
  aux_for_url: 0
  base_id_url: http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=
  base_id_url_available: 1
  description: A public, web-accessible database of measured binding affinities, focusing chiefly on the interactions of proteins considered to be drug-targets with small, drug-like molecules
  name: bindingdb
  name_label: BindingDB
  name_long: BindingDB
  src_compound_id: 
    - 50058655
  src_id: 31
  src_url: ~
- 
  aux_for_url: 0
  base_id_url: https://comptox.epa.gov/dashboard/
  base_id_url_available: 1
  description: The foundation of chemical safety testing relies on chemistry information such as high-quality chemical structures and physicochemical properties. This information is used by scientists to predict the potential health risks of chemicals.The CompTox Dashboard is part of a suite of dashboards developed by EPA to help evaluate the safety of chemicals. It provides access to a variety of data and information on over 700,000 chemicals currently in use and of interest to environmental researchers. Within the CompTox Dashboard, users can access chemical structures, experimental and predicted physicochemical and toxicity data, and additional links to relevant websites and applications. It maps curated physicochemical property data associated with chemical substances to their corresponding chemical structures
  name: comptox
  name_label: EPA CompTox Dashboard
  name_long: EPA (Environmental Protection Agency) CompTox Dashboard
  src_compound_id: 
    - DTXSID1021322
  src_id: 32
  src_url: https://comptox.epa.gov/dashboard/