The get_properties function allows the retrieval of specific properties without having to deal with entire compound records. This is especially useful for retrieving the properties of a large number of compounds at once:

p = pcp.get_properties('IsomericSMILES', 'CC', 'smiles', searchtype='superstructure')

Multiple properties may be specified in a list, or in a comma-separated string. The available properties are: MolecularFormula, MolecularWeight, CanonicalSMILES, IsomericSMILES, InChI, InChIKey, IUPACName, XLogP, ExactMass, MonoisotopicMass, TPSA, Complexity, Charge, HBondDonorCount, HBondAcceptorCount, RotatableBondCount, HeavyAtomCount, IsotopeAtomCount, AtomStereoCount, DefinedAtomStereoCount, UndefinedAtomStereoCount, BondStereoCount, DefinedBondStereoCount, UndefinedBondStereoCount, CovalentUnitCount, Volume3D, XStericQuadrupole3D, YStericQuadrupole3D, ZStericQuadrupole3D, FeatureCount3D, FeatureAcceptorCount3D, FeatureDonorCount3D, FeatureAnionCount3D, FeatureCationCount3D, FeatureRingCount3D, FeatureHydrophobeCount3D, ConformerModelRMSD3D, EffectiveRotorCount3D, ConformerCount3D.


Get a list of synonyms for a given input using the get_synonyms function:

pcp.get_synonyms('Aspirin', 'name')
pcp.get_synonyms('Aspirin', 'name', 'substance')

Inputs that match more than one SID/CID will have multiple, separate synonyms lists returned.


There are three functions for getting a list of identifiers for a given input:

  • pcp.get_cids
  • pcp.get_sids
  • pcp.get_aids

For example, passing a CID to get_sids will return a list of SIDs corresponding to the Substance records that were standardised and merged to produce the given Compound.