{"assignment_state":"requires-binding-source-verification","connectivity_smiles":"C1=NC(=C2C(=N1)N(C=N2)C3C(C(C(O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O)N","descriptors":{"heavy_atom_count":31,"hydrogen_bond_acceptor_count":17,"hydrogen_bond_donor_count":7,"rotatable_bond_count":8,"tpsa":279},"evidence_class":"chemical-identity","exact_mass":"506.99574658","formal_charge":0,"identity_resolution":{"attempt_state":"reused","expected_pubchem_cid":5957,"lookup_mode":"pinned-cid","lookup_value":5957,"source":"PubChem"},"identity_state":"resolved","inchi":"InChI=1S/C10H16N5O13P3/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(26-10)1-25-30(21,22)28-31(23,24)27-29(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H,23,24)(H2,11,12,13)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1","inchikey":"ZKHQWZAMYRWXGA-KQYNXXCUSA-N","known_interaction_refs":[],"known_target_ids":[],"molecular_class":"nucleotide","molecular_formula":"C10H16N5O13P3","molecular_weight":"507.18","molecule_id":"RF004","monoisotopic_mass":"506.99574658","name":"Adenosine 5′-triphosphate (free acid)","panel":"reference-ligand","preparation_state":"unprepared-source-record","pubchem_cid":5957,"pubchem_title":"5'-Atp","query_name":"adenosine triphosphate","screening_eligibility":"identity-resolved-needs-preparation","source_class":"curated-known-interactor-candidate","source_refs":[{"claim":"chemical-identity","source":"PubChem","url":"https://pubchem.ncbi.nlm.nih.gov/compound/5957"}],"source_smiles":"C1=NC(=C2C(=N1)N(C=N2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O)N","source_snapshot":{"bytes":934,"sha256":"1b294ace479d9460bd677d6be7e7126483fee7e45978ec026169ccaba27b04dd"},"target_lookup_intentions":["ENTPD1","ENPP1"]}