{"similarity": [{"compound_id": 2125518, "pref_name": "TRIAZOLAM", "inchikey": "JOFWLTCLBGQGBO-UHFFFAOYSA-N", "inchi": "InChI=1S/C17H12Cl2N4/c1-10-21-22-16-9-20-17(12-4-2-3-5-14(12)19)13-8-11(18)6-7-15(13)23(10)16/h2-8H,9H2,1H3", "smiles": "Cc1nnc2n1-c1ccc(Cl)cc1C(c1ccccc1Cl)=NC2", "chembl_id": "CHEMBL646", "cas_number": "28911-01-5", "comptox": "DTXSID6046763", "pubchem_cid": "5556", "chebi_id": "9674", "kegg_id": "D00387", "zinc_id": "ZINC000000002212", "drugbank_id": "DB00897", "surechembl": "SCHEMBL29228", "hmdb": "HMDB0015034", "pharmgkb": "PA451753", "drugcentral": "2729"}, {"compound_id": 3255842, "pref_name": "N-DEMETHYLADINAZOLAM", "category": "Natural Toxins ; Human Metabolites", "inchikey": "XPMACCNVZKHGPT-UHFFFAOYSA-N", "inchi": "InChI=1S/C18H16ClN5/c1-20-10-16-22-23-17-11-21-18(12-5-3-2-4-6-12)14-9-13(19)7-8-15(14)24(16)17/h2-9,20H,10-11H2,1H3", "smiles": "CNCc1nnc2CN=C(c3ccccc3)c3cc(ccc3n12)Cl", "norman_id": "NS00116019", "pubchem_cid": "119094"}, {"compound_id": 2122934, "pref_name": "ALPRAZOLAM", "inchikey": "VREFGVBLTWBCJP-UHFFFAOYSA-N", "inchi": "InChI=1S/C17H13ClN4/c1-11-20-21-16-10-19-17(12-5-3-2-4-6-12)14-9-13(18)7-8-15(14)22(11)16/h2-9H,10H2,1H3", "smiles": "Cc1nnc2n1-c1ccc(Cl)cc1C(c1ccccc1)=NC2", "chembl_id": "CHEMBL661", "cas_number": "28981-97-7", "comptox": "DTXSID4022577", "pubchem_cid": "2118", "chebi_id": "2611", "kegg_id": "C06817", "zinc_id": "ZINC000000000903", "drugbank_id": "DB00404", "surechembl": "SCHEMBL8398", "hmdb": "HMDB0014548", "pharmgkb": "PA448333", "drugcentral": "136", "pdb": "08H"}, {"compound_id": 3221278, "pref_name": "ALPHA-HYDROXYTRIAZOLAM", "category": "Human Metabolites", "inchikey": "BHUYWUDMVCLHND-UHFFFAOYSA-N", "inchi": "InChI=1S/C17H12Cl2N4O/c18-10-5-6-14-12(7-10)17(11-3-1-2-4-13(11)19)20-8-15-21-22-16(9-24)23(14)15/h1-7,24H,8-9H2", "smiles": "c1ccc(c(c1)C2=NCc3nnc(n3-c4c2cc(cc4)Cl)CO)Cl", "cas_number": "37115-45-0", "norman_id": "NS00010451", "pubchem_cid": "1963", "chem_spider_id": "1887"}, {"compound_id": 3249451, "pref_name": "ADINAZOLAM", "category": "Human Metabolites", "inchikey": "GJSLOMWRLALDCT-UHFFFAOYSA-N", "inchi": "InChI=1S/C19H18ClN5/c1-24(2)12-18-23-22-17-11-21-19(13-6-4-3-5-7-13)15-10-14(20)8-9-16(15)25(17)18/h3-10H,11-12H2,1-2H3", "smiles": "CN(C)CC1=NN=C2N1C3=C(C=C(C=C3)Cl)C(=NC2)C4=CC=CC=C4", "cas_number": "37115-32-5", "comptox": "DTXSID40190611", "norman_id": "NS00018615", "pubchem_cid": "37632", "chem_spider_id": "34519"}, {"compound_id": 3198011, "pref_name": "4-HYDROXYTRIAZOLAM", "category": "Natural Toxins ; Human Metabolites", "inchikey": "YUQRFPYHTPARRM-UHFFFAOYSA-N", "inchi": "InChI=1S/C17H12Cl2N4O/c1-9-21-22-16-17(24)20-15(11-4-2-3-5-13(11)19)12-8-10(18)6-7-14(12)23(9)16/h2-8,17,24H,1H3", "smiles": "Cc1nnc2C(N=C(c3ccccc3Cl)c3cc(ccc3n12)Cl)O", "cas_number": "65686-11-5", "comptox": "DTXSID20984232", "norman_id": "NS00116038", "pubchem_cid": "128260"}, {"compound_id": 3204011, "pref_name": "4-HYDROXYALPRAZOLAM", "category": "Human Metabolites", "inchikey": "CEYGCFLPQFNPST-UHFFFAOYSA-N", "inchi": "InChI=1S/C17H13ClN4O/c1-10-20-21-16-17(23)19-15(11-5-3-2-4-6-11)13-9-12(18)7-8-14(13)22(10)16/h2-9,17,23H,1H3", "smiles": "CC1=NN=C2N1C3=C(C=C(C=C3)Cl)C(=NC2O)C4=CC=CC=C4", "cas_number": "30896-57-2", "comptox": "DTXSID90932240", "norman_id": "NS00017552", "pubchem_cid": "182017", "chem_spider_id": "158315"}]}