{
  "name": "Molecule identity: PubChem CID, Wikidata item and SMILES for the molecules on this site",
  "desc": "Name, formula, PubChem CID, Wikidata item, canonical SMILES, structure type and geometry source for each molecule drawn on this site; shared by the molecule entries.",
  "lic": "CC BY 4.0",
  "lic_url": "https://creativecommons.org/licenses/by/4.0/",
  "by": "Ants, Cells & Atoms",
  "url": "https://antscellsandatoms.com/molecules/water/",
  "from": [
    "PubChem PUG-View CID 962 and CID 280, read 2026-10-24",
    "Wikidata Special:EntityData Q283 and Q1997, read 2026-10-24"
  ],
  "how": "Compiled by Ants, Cells & Atoms from the data listed",
  "data_by": [
    "PubChem PUG-View, CID 962 (water) and CID 280 (carbon dioxide), identity and molecular weight, NCBI data, retrieved 2026-10-24",
    "Wikidata items Q283 and Q1997, canonical SMILES (P233) and PubChem CID (P662), CC0, retrieved 2026-10-24",
    "Equilibrium geometry of water (O–H 0.958 Å, H–O–H 104.4776°) from Hoy & Bunker 1979, J. Mol. Spectrosc. 74:1, as listed by NIST CCCBDB Release 22 (SRD 101), retrieved 2026-10-24",
    "Geometry of carbon dioxide (C=O 1.162 Å, 180°) from Herzberg 1966 as listed by NIST CCCBDB Release 22 (SRD 101), retrieved 2026-10-24",
    "NaCl: PubChem PUG-View, CID 5234 (sodium chloride), identity and Crystal Structures (COD 2108652, 4300180, 4320809, Fm-3m, Z = 4), NCBI data, retrieved 2026-10-24; Wikidata item Q2314, canonical SMILES (P233) and PubChem CID (P662), CC0, retrieved 2026-10-24",
    "Aspirin: PubChem PUG-View, CID 2244 (aspirin), identity, NCBI data, retrieved 2026-10-24; Wikidata item Q18216, canonical SMILES (P233) and PubChem CID (P662), CC0, retrieved 2026-10-24; geometry computed for this site from bond lengths and angles measured in benzene (Herzberg 1966), phenol, acetic acid and methyl formate (Hellwege & Hellwege 1976) as listed by NIST CCCBDB Release 22 (SRD 101), retrieved 2026-10-24",
    "DNA dodecamer d(CGCGAATTCGCG)2: RCSB PDB 1BNA, CC0, X-ray 1.9 Å, https://doi.org/10.2210/pdb1bna/pdb, coordinates from Drew HR, Wing RM, Takano T, Broka C, Tanaka S, Itakura K, Dickerson RE 1981, Proceedings of the National Academy of Sciences 78(4):2179-2183 (abstract); Wikidata item Q7430 (deoxyribonucleic acid, the class, not this fragment), CC0, revision 2557663824 (modified 2026-10-16)"
  ]
}