aspirin.json

{
    "father_compound": 55,
    "name": "aspirin",
    "smiles": "CC(=O)Oc1ccccc1C(=O)O",
    "inchi_key": "BSYNRYMUTXBXSQ-UHFFFAOYSA-N",
    "sdf_representation": "http://server.com/compound/2/sdf",
    "comment": [
        "this is a comment",
        "analogue of rdfs:comment"
    ],
    "identifier": "http://opentox.ntua.gr:8080/compound/55/conformer/2",
    "feature/10":{"title":"average_mass", "value":180.157},
    "feature/83":{"title":"monoisotropic_mass","value":180.042252},
    "feature/62":{"title":"iupac_name", "value":"2-Acetoxybenzoic acid"}
}

dataset.json

{
    "title":"Dataset-04",
    "features": [
        "feature/405",
        "feature/98",
        "feature/4515",
        "feature/8901"
    ],
    "compounds": [
        {
          "_id" : ObjectId("77f8f5fedee9871fd62717993")
        },
        {
          "_id" : ObjectId("a3092cfedc8243efd644901bb")
        }
    ]
}

mongodb.js

// Mongodb code to add a feature value pair to
// the above document:
db.compounds.update(
    {"_id" : ObjectId("54b46dedee9871fd62716680")}, 
    { $set: 
        { "feature/32":{"title":"inflammability", "value":-39.21} } 
    }
);
    
// and yet another example:
db.compounds.update(  
    {"_id" : ObjectId("54b46dedee9871fd62716680")},  
    { $addToSet:  
        { "tags":"anti-inflammatory" }  
    }  
);