id:ID	name:string	category:LABEL	equivalent_identifiers:string[]	information_content:float	description:string
CHEBI:17747	bis(2-ethylhexyl) phthalate	biolink:SmallMoleculebiolink:MolecularEntitybiolink:ChemicalEntitybiolink:PhysicalEssencebiolink:ChemicalOrDrugOrTreatmentbiolink:ChemicalEntityOrGeneOrGeneProductbiolink:ChemicalEntityOrProteinOrPolypeptidebiolink:NamedThingbiolink:PhysicalEssenceOrOccurrent	CHEBI:17747UNII:C42K0PH13CPUBCHEM.COMPOUND:8343CHEMBL.COMPOUND:CHEMBL1242017MESH:D004051CAS:117-81-7CAS:15495-94-0CAS:50885-87-5CAS:8033-53-2CAS:82208-43-3HMDB:HMDB0249243KEGG.COMPOUND:C03690INCHIKEY:BJQHLKABXJIVAM-UHFFFAOYSA-NUMLS:C0012197	92.8	A phthalate ester that is the bis(2-ethylhexyl) ester of benzene-1,2-dicarboxylic acid.
MPATH:353	353	biolink:NamedThing			
MPATH:357	357	biolink:NamedThing			
MONDO:0005626	Epithelioma	biolink:Diseasebiolink:DiseaseOrPhenotypicFeaturebiolink:BiologicalEntitybiolink:ThingWithTaxonbiolink:NamedThing	MONDO:0005626EFO:0006858UMLS:C0027660UMLS:C1368683MESH:D009375MEDDRA:10015105NCIT:C3709SNOMEDCT:118285006medgen:277963HP:0031492	41.4	A benign or malignant neoplasm that arises from and is composed of epithelial cells. This category include adenomas, papillomas, and carcinomas.
MPATH:270	270	biolink:NamedThing			
MPATH:549	549	biolink:NamedThing			
CHEBI:35549	perfluorooctanoic acid	biolink:SmallMoleculebiolink:MolecularEntitybiolink:ChemicalEntitybiolink:PhysicalEssencebiolink:ChemicalOrDrugOrTreatmentbiolink:ChemicalEntityOrGeneOrGeneProductbiolink:ChemicalEntityOrProteinOrPolypeptidebiolink:NamedThingbiolink:PhysicalEssenceOrOccurrent	CHEBI:35549UNII:947VD76D3LPUBCHEM.COMPOUND:9554CHEMBL.COMPOUND:CHEMBL172988MESH:C023036CAS:206-397-9CAS:335-67-1INCHIKEY:SNGREZUHAYWORS-UHFFFAOYSA-NUMLS:C0070403	95.4	A fluoroalkanoic acid that is perfluorinated octanoic acid.
MONDO:0004970	adenocarcinoma	biolink:Diseasebiolink:DiseaseOrPhenotypicFeaturebiolink:BiologicalEntitybiolink:ThingWithTaxonbiolink:NamedThing	MONDO:0004970DOID:299EFO:0000228UMLS:C0001418UMLS:C5551397MESH:D000230MEDDRA:10001141MEDDRA:10001166MEDDRA:10076630NCIT:C2852SNOMEDCT:1186968006SNOMEDCT:1187332001SNOMEDCT:443961001medgen:122	50.6	A common cancer characterized by the presence of malignant glandular cells. Morphologically, adenocarcinomas are classified according to the growth pattern (e.g., papillary, alveolar) or according to the secreting product (e.g., mucinous, serous). Representative examples of adenocarcinoma are ductal and lobular breast carcinoma, lung adenocarcinoma, renal cell carcinoma, hepatocellular carcinoma (hepatoma), colon adenocarcinoma, and prostate adenocarcinoma.
INCHIKEY:		biolink:NamedThing			
NCIT:C14143	C14143	biolink:NamedThing			
MONDO:0019496	neuroendocrine neoplasm	biolink:Diseasebiolink:DiseaseOrPhenotypicFeaturebiolink:BiologicalEntitybiolink:ThingWithTaxonbiolink:NamedThing	MONDO:0019496DOID:169orphanet:877EFO:1001901UMLS:C0206754MESH:D018358MEDDRA:10052399MEDDRA:10062476NCIT:C188218NCIT:C3809SNOMEDCT:1286768001SNOMEDCT:1288045008SNOMEDCT:128928004SNOMEDCT:1290052006SNOMEDCT:255046005medgen:64652ICD10:D3A.8ICD9:209-209.99HP:0100634	55.2	Endocrine tumors, also referred to as neuroendocrine tumors (NETs), are defined by a common phenotype which is characterized by the expression of general markers (neuron specific enolase, chromogranin, synaptophysin) and hormone secretion products. These tumors may be localized in any part of the body and are generally discovered in non-specific situations, i.e. not immediately suggestive of NETs (tests for inherited predisposition to tumors or for a clinical syndrome caused by abnormal hormone secretion).
UNII:694YO34JHC	4-chloro-alpha,alpha,alpha-trifluorotoluene	biolink:SmallMoleculebiolink:MolecularEntitybiolink:ChemicalEntitybiolink:PhysicalEssencebiolink:ChemicalOrDrugOrTreatmentbiolink:ChemicalEntityOrGeneOrGeneProductbiolink:ChemicalEntityOrProteinOrPolypeptidebiolink:NamedThingbiolink:PhysicalEssenceOrOccurrent	UNII:694YO34JHCPUBCHEM.COMPOUND:7394CHEMBL.COMPOUND:CHEMBL1797001MESH:C037723MESH:C476938CAS:1219804-33-7CAS:202-681-1CAS:682-539-7CAS:98-56-6HMDB:HMDB0246394INCHIKEY:QULYNCCPRWKEMF-UHFFFAOYSA-NUMLS:C0048174UMLS:C1311338		
MPATH:356	356	biolink:NamedThing			
NCIT:C14172	C14172	biolink:NamedThing			
MPATH:491	491	biolink:NamedThing			
CHEBI:16583	Diacetyl	biolink:SmallMoleculebiolink:MolecularEntitybiolink:ChemicalEntitybiolink:PhysicalEssencebiolink:ChemicalOrDrugOrTreatmentbiolink:ChemicalEntityOrGeneOrGeneProductbiolink:ChemicalEntityOrProteinOrPolypeptidebiolink:NamedThingbiolink:PhysicalEssenceOrOccurrent	CHEBI:16583UNII:K324J5K4HMPUBCHEM.COMPOUND:650CHEMBL.COMPOUND:CHEMBL365809MESH:D003931CAS:431-03-8HMDB:HMDB0003407KEGG.COMPOUND:C00741INCHIKEY:QSJXEFYPDANLFS-UHFFFAOYSA-NUMLS:C0011889	89.4	An alpha-diketone that is butane substituted by oxo groups at positions 2 and 3. It is a metabolite produced during the malolactic fermentation.
MPATH:446	446	biolink:NamedThing			
MPATH:273	273	biolink:NamedThing			
INCHIKEY:ADCOVFLJGNWWNZ-UHFFFAOYSA-N	ADCOVFLJGNWWNZ-UHFFFAOYSA-N	biolink:NamedThing			
MONDO:0005062	lymphoma	biolink:Diseasebiolink:DiseaseOrPhenotypicFeaturebiolink:BiologicalEntitybiolink:ThingWithTaxonbiolink:NamedThing	MONDO:0005062DOID:0060058orphanet:223735EFO:0000574UMLS:C0024299UMLS:C0334621UMLS:C1536843MESH:D008223MEDDRA:10025310MEDDRA:10025315MEDDRA:10025316MEDDRA:10025632MEDDRA:10025633NCIT:C3208NCIT:C7065SNOMEDCT:115244002SNOMEDCT:1163043007SNOMEDCT:118600007SNOMEDCT:188676008medgen:44223ICD10:C85.9HP:0002665	49.8	A malignant (clonal) proliferation of B- lymphocytes or T- lymphocytes which involves the lymph nodes, bone marrow and/or extranodal sites. This category includes Non-Hodgkin lymphomas and Hodgkin lymphomas.
MPATH:272	272	biolink:NamedThing			
MONDO:0002616	mesenchymal cell neoplasm	biolink:Diseasebiolink:DiseaseOrPhenotypicFeaturebiolink:BiologicalEntitybiolink:ThingWithTaxonbiolink:NamedThing	MONDO:0002616DOID:3350UMLS:C1332517UMLS:C1334699NCIT:C6587NCIT:C7059medgen:277359	52.5	A benign, intermediate, or malignant neoplasm that arises from the mesenchyma-derived cells of the soft tissue or bone. Representative examples include lipoma, leiomyoma, leiomyosarcoma and osteosarcoma.
MONDO:0002989	benign fibrous histiocytoma	biolink:Diseasebiolink:DiseaseOrPhenotypicFeaturebiolink:BiologicalEntitybiolink:ThingWithTaxonbiolink:NamedThing	MONDO:0002989DOID:4415UMLS:C0206644MESH:D018219MEDDRA:10053717MEDDRA:10069780NCIT:C3739SNOMEDCT:25889007medgen:60199	83.6	A benign neoplasm composed of fibroblastic spindle cells in a whorled storiform pattern. It is characterized by the presence of foam cells, inflammatory cells, hemosiderin deposition and stromal hemorrhage.
MPATH:354	354	biolink:NamedThing			
MONDO:0006108	bile duct adenoma	biolink:Diseasebiolink:DiseaseOrPhenotypicFeaturebiolink:BiologicalEntitybiolink:ThingWithTaxonbiolink:NamedThing	MONDO:0006108DOID:5381EFO:1000123UMLS:C0008309MESH:D002759MEDDRA:10008592NCIT:C2942SNOMEDCT:39471001SNOMEDCT:424091006medgen:918	86.3	A benign, well-demarcated polypoid neoplasm arising from the bile duct epithelium. According to the growth pattern, it is classified as tubular, papillary, or tubulopapillary. Adenomas arising from the extrahepatic bile ducts usually produce symptoms related to biliary obstruction.
MONDO:0024477	liver neoplasm	biolink:Diseasebiolink:DiseaseOrPhenotypicFeaturebiolink:BiologicalEntitybiolink:ThingWithTaxonbiolink:NamedThing	MONDO:0024477DOID:916EFO:1001513UMLS:C0023903UMLS:C1333419UMLS:C1333976MESH:D008113MEDDRA:10019694MEDDRA:10019695MEDDRA:10019702MEDDRA:10024702MEDDRA:10024717MEDDRA:10024718MEDDRA:10024719MEDDRA:10028996MEDDRA:10045151MEDDRA:10073830MEDDRA:10073831NCIT:C7103NCIT:C7106SNOMEDCT:126851005medgen:232599ICD10:C22HP:0002896	60.5	A benign or malignant neoplasm that affects the liver parenchyma or intrahepatic bile ducts. Representative examples of benign neoplasms include hepatocellular adenoma, and bile duct adenoma. Representative examples of malignant neoplasms include hepatocellular carcinoma, intrahepatic cholangiocarcinoma, and lymphoma.
UNII:6G5ELX5XYN	glycidamide	biolink:SmallMoleculebiolink:MolecularEntitybiolink:ChemicalEntitybiolink:PhysicalEssencebiolink:ChemicalOrDrugOrTreatmentbiolink:ChemicalEntityOrGeneOrGeneProductbiolink:ChemicalEntityOrProteinOrPolypeptidebiolink:NamedThingbiolink:PhysicalEssenceOrOccurrent	UNII:6G5ELX5XYNPUBCHEM.COMPOUND:91550CHEMBL.COMPOUND:CHEMBL3560005MESH:C071834CAS:5694-00-8HMDB:HMDB0252860INCHIKEY:FMAZQSYXRGRESX-UHFFFAOYSA-NUMLS:C0119706		
MPATH:448	448	biolink:NamedThing			
MPATH:255	255	biolink:NamedThing			
MPATH:408	408	biolink:NamedThing			
MPATH:551	551	biolink:NamedThing			
MPATH:266	266	biolink:NamedThing			
MONDO:0002082	endocrine gland neoplasm	biolink:Diseasebiolink:DiseaseOrPhenotypicFeaturebiolink:BiologicalEntitybiolink:ThingWithTaxonbiolink:NamedThing	MONDO:0002082EFO:0003769UMLS:C0014132MEDDRA:10014709MEDDRA:10061121NCIT:C3010SNOMEDCT:387922007SNOMEDCT:387927001medgen:4044HP:0100568	53.2	A benign or malignant neoplasm arising from the epithelial cells of an endocrine organ. Representative examples include pituitary gland adenoma, pituitary gland carcinoma, thyroid gland carcinoma, carcinoid tumor, and neuroendocrine carcinoma.
CHEBI:33217	3,3',5,5'-tetrabromobisphenol A	biolink:SmallMoleculebiolink:MolecularEntitybiolink:ChemicalEntitybiolink:PhysicalEssencebiolink:ChemicalOrDrugOrTreatmentbiolink:ChemicalEntityOrGeneOrGeneProductbiolink:ChemicalEntityOrProteinOrPolypeptidebiolink:NamedThingbiolink:PhysicalEssenceOrOccurrent	CHEBI:33217UNII:FQI02RFC3APUBCHEM.COMPOUND:6618CHEMBL.COMPOUND:CHEMBL184450MESH:C020806CAS:79-94-7KEGG.COMPOUND:C13620INCHIKEY:VEORPZCZECFIRK-UHFFFAOYSA-NUMLS:C0076220	95.4	A bromobisphenol that is 4,4'-methanediyldiphenol in which the methylene hydrogens are replaced by two methyl groups and the phenyl rings are substituted by bromo groups at positions 2, 2', 6 and 6'. It is a brominated flame retardant.
CHEBI:24814	Indole-3-carbinol	biolink:SmallMoleculebiolink:MolecularEntitybiolink:ChemicalEntitybiolink:PhysicalEssencebiolink:ChemicalOrDrugOrTreatmentbiolink:ChemicalEntityOrGeneOrGeneProductbiolink:ChemicalEntityOrProteinOrPolypeptidebiolink:NamedThingbiolink:PhysicalEssenceOrOccurrent	CHEBI:24814UNII:C11E72455FPUBCHEM.COMPOUND:3712CHEMBL.COMPOUND:CHEMBL155625DRUGBANK:DB12881MESH:C016517CAS:700-06-1GTOPDB:10047HMDB:HMDB0005785INCHIKEY:IVYPNXXAYMYVSP-UHFFFAOYSA-NUMLS:C0063491RXCUI:2598119	89.4	An indolyl alcohol carrying a hydroxymethyl group at position 3. It is a constituent of the cruciferous vegetables and had anticancer activity.
UNII:SJ84PTP2HD	bromodichloroacetic acid	biolink:SmallMoleculebiolink:MolecularEntitybiolink:ChemicalEntitybiolink:PhysicalEssencebiolink:ChemicalOrDrugOrTreatmentbiolink:ChemicalEntityOrGeneOrGeneProductbiolink:ChemicalEntityOrProteinOrPolypeptidebiolink:NamedThingbiolink:PhysicalEssenceOrOccurrent	UNII:SJ84PTP2HDPUBCHEM.COMPOUND:114809CHEMBL.COMPOUND:CHEMBL453528MESH:C100580CAS:623-296-9CAS:71133-14-7INCHIKEY:XSWVFEQKZFUULO-UHFFFAOYSA-NUMLS:C0391277		
MONDO:0021043	mixed neoplasm	biolink:Diseasebiolink:DiseaseOrPhenotypicFeaturebiolink:BiologicalEntitybiolink:ThingWithTaxonbiolink:NamedThing	MONDO:0021043UMLS:C0206764UMLS:C1368354MESH:D018193NCIT:C6930medgen:234575	60.1	A neoplasm composed of at least two distinct cellular populations.
MPATH:407	407	biolink:NamedThing			
CHEBI:34031	1,1-dichloroethene	biolink:SmallMoleculebiolink:MolecularEntitybiolink:ChemicalEntitybiolink:PhysicalEssencebiolink:ChemicalOrDrugOrTreatmentbiolink:ChemicalEntityOrGeneOrGeneProductbiolink:ChemicalEntityOrProteinOrPolypeptidebiolink:NamedThingbiolink:PhysicalEssenceOrOccurrent	CHEBI:34031UNII:21SK105J9DPUBCHEM.COMPOUND:6366CHEMBL.COMPOUND:CHEMBL156455MESH:C029297CAS:200-864-0CAS:75-35-4HMDB:HMDB0259827KEGG.COMPOUND:C14039INCHIKEY:LGXVIGDEPROXKC-UHFFFAOYSA-NUMLS:C0078277	95.4	A member of the class of chloroethenes that is ethene in which both of the hydrogens attached to one of the carbons are replaced by chlorines.
MPATH:545	545	biolink:NamedThing			
CHEBI:27638	Cobalt	biolink:SmallMoleculebiolink:MolecularEntitybiolink:ChemicalEntitybiolink:PhysicalEssencebiolink:ChemicalOrDrugOrTreatmentbiolink:ChemicalEntityOrGeneOrGeneProductbiolink:ChemicalEntityOrProteinOrPolypeptidebiolink:NamedThingbiolink:PhysicalEssenceOrOccurrent	CHEBI:27638UNII:3G0H8C9362PUBCHEM.COMPOUND:104730DRUGBANK:DB14574MESH:D003035CAS:231-158-0CAS:7440-48-4KEGG.COMPOUND:C19171KEGG.COMPOUND:C19171C00175INCHIKEY:GUTLYIVDDKVIGB-UHFFFAOYSA-NUMLS:C0009148RXCUI:1310300	70.8	A cobalt group element atom that has atomic number 27.
NCIT:C80349	C80349	biolink:NamedThing			
CHEBI:39922	beta-PICOLINE	biolink:SmallMoleculebiolink:MolecularEntitybiolink:ChemicalEntitybiolink:PhysicalEssencebiolink:ChemicalOrDrugOrTreatmentbiolink:ChemicalEntityOrGeneOrGeneProductbiolink:ChemicalEntityOrProteinOrPolypeptidebiolink:NamedThingbiolink:PhysicalEssenceOrOccurrent	CHEBI:39922UNII:B083J4KF7FPUBCHEM.COMPOUND:7970CHEMBL.COMPOUND:CHEMBL15722DRUGBANK:DB01996MESH:C053603CAS:108-99-6CAS:203-636-9HMDB:HMDB0061887INCHIKEY:ITQTTZVARXURQS-UHFFFAOYSA-NUMLS:C0378081	100.0	A methylpyridine that is pyridine substituted by a methyl group at position 3.
UNII:S8XC5939VU	dimethyl-4-toluidine	biolink:SmallMoleculebiolink:MolecularEntitybiolink:ChemicalEntitybiolink:PhysicalEssencebiolink:ChemicalOrDrugOrTreatmentbiolink:ChemicalEntityOrGeneOrGeneProductbiolink:ChemicalEntityOrProteinOrPolypeptidebiolink:NamedThingbiolink:PhysicalEssenceOrOccurrent	UNII:S8XC5939VUPUBCHEM.COMPOUND:7471CHEMBL.COMPOUND:CHEMBL1462714MESH:C015835CAS:202-805-4CAS:99-97-8HMDB:HMDB0255257INCHIKEY:GYVGXEWAOAAJEU-UHFFFAOYSA-NUMLS:C0058237		
MONDO:0024337	urothelial neoplasm	biolink:Diseasebiolink:DiseaseOrPhenotypicFeaturebiolink:BiologicalEntitybiolink:ThingWithTaxonbiolink:NamedThing	MONDO:0024337UMLS:C1519840NCIT:C39852medgen:275551	64.9	A neoplasm involving a urothelium.
CHEBI:35028	Trimethylolpropane triacrylate	biolink:SmallMoleculebiolink:MolecularEntitybiolink:ChemicalEntitybiolink:PhysicalEssencebiolink:ChemicalOrDrugOrTreatmentbiolink:ChemicalEntityOrGeneOrGeneProductbiolink:ChemicalEntityOrProteinOrPolypeptidebiolink:NamedThingbiolink:PhysicalEssenceOrOccurrent	CHEBI:35028UNII:4B67KGL96SPUBCHEM.COMPOUND:27423CHEMBL.COMPOUND:CHEMBL1886556MESH:C027993CAS:15625-89-5CAS:239-701-3KEGG.COMPOUND:C14537INCHIKEY:DAKWPKUUDNSNPN-UHFFFAOYSA-NUMLS:C0077192RXCUI:1426813	100.0	
CHEBI:28619	acrylamide	biolink:SmallMoleculebiolink:MolecularEntitybiolink:ChemicalEntitybiolink:PhysicalEssencebiolink:ChemicalOrDrugOrTreatmentbiolink:ChemicalEntityOrGeneOrGeneProductbiolink:ChemicalEntityOrProteinOrPolypeptidebiolink:NamedThingbiolink:PhysicalEssenceOrOccurrent	CHEBI:28619UNII:20R035KLCIPUBCHEM.COMPOUND:6579CHEMBL.COMPOUND:CHEMBL348107MESH:D020106CAS:201-173-7CAS:79-06-1CAS:9082-06-8GTOPDB:4553HMDB:HMDB0004296KEGG.COMPOUND:C01659INCHIKEY:HRPVXLWXLXDGHG-UHFFFAOYSA-NUMLS:C0050587RXCUI:1368125	89.4	A member of the class of acrylamides that results from the formal condensation of acrylic acid with ammonia.
CHEBI:16164	pyrogallol	biolink:SmallMoleculebiolink:MolecularEntitybiolink:ChemicalEntitybiolink:PhysicalEssencebiolink:ChemicalOrDrugOrTreatmentbiolink:ChemicalEntityOrGeneOrGeneProductbiolink:ChemicalEntityOrProteinOrPolypeptidebiolink:NamedThingbiolink:PhysicalEssenceOrOccurrent	CHEBI:16164UNII:01Y4A2QXY0PUBCHEM.COMPOUND:1057CHEMBL.COMPOUND:CHEMBL307145MESH:D011748CAS:201-762-9CAS:30813-84-4CAS:87-66-1GTOPDB:13596HMDB:HMDB0013674KEGG.COMPOUND:C01108INCHIKEY:WQGWDDDVZFFDIG-UHFFFAOYSA-NUMLS:C0034303RXCUI:9022	87.2	A  benzenetriol carrying hydroxy groups at positions 1, 2 and 3.
PUBCHEM.COMPOUND:10931629	alpha, beta-Thujone	biolink:SmallMoleculebiolink:MolecularEntitybiolink:ChemicalEntitybiolink:PhysicalEssencebiolink:ChemicalOrDrugOrTreatmentbiolink:ChemicalEntityOrGeneOrGeneProductbiolink:ChemicalEntityOrProteinOrPolypeptidebiolink:NamedThingbiolink:PhysicalEssenceOrOccurrent	PUBCHEM.COMPOUND:10931629CHEMBL.COMPOUND:CHEMBL3277899CAS:629-556-8CAS:76231-76-0INCHIKEY:USMNOWBWPHYOEA-VWHDNNRLSA-N		
CHEBI:10110	Zidovudine	biolink:SmallMoleculebiolink:MolecularEntitybiolink:ChemicalEntitybiolink:PhysicalEssencebiolink:ChemicalOrDrugOrTreatmentbiolink:ChemicalEntityOrGeneOrGeneProductbiolink:ChemicalEntityOrProteinOrPolypeptidebiolink:NamedThingbiolink:PhysicalEssenceOrOccurrent	CHEBI:10110UNII:4B9XT59T7SPUBCHEM.COMPOUND:35370CHEMBL.COMPOUND:CHEMBL129DRUGBANK:DB00495MESH:D015215CAS:30516-87-1DrugCentral:2861GTOPDB:4825HMDB:HMDB0014638KEGG.COMPOUND:C07210INCHIKEY:HBOMLICNUCNMMY-XLPZGREQSA-NUMLS:C0043474RXCUI:11413	100.0	A pyrimidine 2',3'-dideoxyribonucleoside compound having a 3'-azido substituent and thymine as the nucleobase.
CHEBI:47105	1-bromopropane	biolink:SmallMoleculebiolink:MolecularEntitybiolink:ChemicalEntitybiolink:PhysicalEssencebiolink:ChemicalOrDrugOrTreatmentbiolink:ChemicalEntityOrGeneOrGeneProductbiolink:ChemicalEntityOrProteinOrPolypeptidebiolink:NamedThingbiolink:PhysicalEssenceOrOccurrent	CHEBI:47105UNII:Y9746DNE68PUBCHEM.COMPOUND:7840CHEMBL.COMPOUND:CHEMBL1230095MESH:C118559CAS:106-94-5CAS:203-445-0CAS:26446-77-5INCHIKEY:CYNYIHKIEHGYOZ-UHFFFAOYSA-NUMLS:C0443370	100.0	A bromoalkane that is propane carrying a bromo substituent at position 1.
MPATH:444	444	biolink:NamedThing			
CHEBI:26381	p-menth-4(8)-en-3-one	biolink:SmallMoleculebiolink:MolecularEntitybiolink:ChemicalEntitybiolink:PhysicalEssencebiolink:ChemicalOrDrugOrTreatmentbiolink:ChemicalEntityOrGeneOrGeneProductbiolink:ChemicalEntityOrProteinOrPolypeptidebiolink:NamedThingbiolink:PhysicalEssenceOrOccurrent	CHEBI:26381PUBCHEM.COMPOUND:6988CHEMBL.COMPOUND:CHEMBL1898498CAS:15932-80-6CAS:240-070-1INCHIKEY:NZGWDASTMWDZIW-UHFFFAOYSA-N	92.8	A p-menthane monoterpenoid that is cyclohexan-1-one substituted by a methyl group at position 5 and a propan-2-ylidene group at position 2.
MPATH:445	445	biolink:NamedThing			
CHEBI:35008	tetralin	biolink:SmallMoleculebiolink:MolecularEntitybiolink:ChemicalEntitybiolink:PhysicalEssencebiolink:ChemicalOrDrugOrTreatmentbiolink:ChemicalEntityOrGeneOrGeneProductbiolink:ChemicalEntityOrProteinOrPolypeptidebiolink:NamedThingbiolink:PhysicalEssenceOrOccurrent	CHEBI:35008UNII:FT6XMI58YQPUBCHEM.COMPOUND:8404CHEMBL.COMPOUND:CHEMBL1575635MESH:C095210CAS:119-64-2HMDB:HMDB0244120KEGG.COMPOUND:C14114INCHIKEY:CXWXQJXEFPUFDZ-UHFFFAOYSA-NUMLS:C0380600	81.3	An ortho-fused bicyclic hydrocarbon that is 1,2,3,4-tetrahydro derivative of naphthalene.
CHEBI:16422	Androstenedione	biolink:SmallMoleculebiolink:MolecularEntitybiolink:ChemicalEntitybiolink:PhysicalEssencebiolink:ChemicalOrDrugOrTreatmentbiolink:ChemicalEntityOrGeneOrGeneProductbiolink:ChemicalEntityOrProteinOrPolypeptidebiolink:NamedThingbiolink:PhysicalEssenceOrOccurrent	CHEBI:16422UNII:409J2J96VRPUBCHEM.COMPOUND:6128CHEMBL.COMPOUND:CHEMBL274826DRUGBANK:DB01536MESH:D000735CAS:117598-81-9CAS:63-05-8DrugCentral:215GTOPDB:2860HMDB:HMDB0000053KEGG.COMPOUND:C00280INCHIKEY:AEMFNILZOJDQLW-QAGGRKNESA-NUMLS:C0002860RXCUI:784	84.2	A 3-oxo Delta(4)-steroid that is androst-4-ene substituted by oxo groups at positions 3 and 17. It is a steroid hormone synthesized in the adrenal glands and gonads.
CHEBI:81520	2,3',4,4',5-Pentachlorobiphenyl	biolink:SmallMoleculebiolink:MolecularEntitybiolink:ChemicalEntitybiolink:PhysicalEssencebiolink:ChemicalOrDrugOrTreatmentbiolink:ChemicalEntityOrGeneOrGeneProductbiolink:ChemicalEntityOrProteinOrPolypeptidebiolink:NamedThingbiolink:PhysicalEssenceOrOccurrent	CHEBI:81520UNII:2B2AQE8U50PUBCHEM.COMPOUND:35823CHEMBL.COMPOUND:CHEMBL137264MESH:C070055CAS:31508-00-6HMDB:HMDB0246145KEGG.COMPOUND:C18118INCHIKEY:IUTPYMGCWINGEY-UHFFFAOYSA-NUMLS:C0091291	95.4	
UNII:PGG7W94GS9	3,3',4,4'-Tetrachloroazobenzene	biolink:SmallMoleculebiolink:MolecularEntitybiolink:ChemicalEntitybiolink:PhysicalEssencebiolink:ChemicalOrDrugOrTreatmentbiolink:ChemicalEntityOrGeneOrGeneProductbiolink:ChemicalEntityOrProteinOrPolypeptidebiolink:NamedThingbiolink:PhysicalEssenceOrOccurrent	UNII:PGG7W94GS9HMDB:HMDB0032856INCHIKEY:SOBGIMQKWDUEPY-ISLYRVAYSA-N		
CHEBI:17221	beta-myrcene	biolink:SmallMoleculebiolink:MolecularEntitybiolink:ChemicalEntitybiolink:PhysicalEssencebiolink:ChemicalOrDrugOrTreatmentbiolink:ChemicalEntityOrGeneOrGeneProductbiolink:ChemicalEntityOrProteinOrPolypeptidebiolink:NamedThingbiolink:PhysicalEssenceOrOccurrent	CHEBI:17221UNII:3M39CZS25BPUBCHEM.COMPOUND:31253CHEMBL.COMPOUND:CHEMBL455491MESH:C008574MESH:C509595CAS:123-35-3CAS:204-622-5CAS:29463-45-4HMDB:HMDB0038169KEGG.COMPOUND:C06074INCHIKEY:UAHWPYUMFXYFJY-UHFFFAOYSA-NUMLS:C0067066UMLS:C1700283RXCUI:2166047	95.4	A monoterpene that is octa-1,6-diene bearing methylene and methyl substituents at positions 3 and 7 respectively.
CHEBI:412516	AES-103	biolink:SmallMoleculebiolink:MolecularEntitybiolink:ChemicalEntitybiolink:PhysicalEssencebiolink:ChemicalOrDrugOrTreatmentbiolink:ChemicalEntityOrGeneOrGeneProductbiolink:ChemicalEntityOrProteinOrPolypeptidebiolink:NamedThingbiolink:PhysicalEssenceOrOccurrent	CHEBI:412516UNII:70ETD81LF0PUBCHEM.COMPOUND:237332CHEMBL.COMPOUND:CHEMBL185885DRUGBANK:DB12298MESH:C008046CAS:200-654-9CAS:67-47-0GTOPDB:10939HMDB:HMDB0034355KEGG.COMPOUND:C11101INCHIKEY:NOEGNKMFWQHSLB-UHFFFAOYSA-NUMLS:C0049244	100.0	A member of the class of furans that is furan which is substituted at positions 2 and 5 by formyl and hydroxymethyl substituents, respectively. Virtually absent from fresh foods, it is naturally generated in sugar-containing foods during storage, and especially by drying or cooking. It is the causative component in honey that affects the presystemic metabolism and pharmacokinetics of GZ in-vivo.
CHEBI:28905	prop-2-yn-1-ol	biolink:SmallMoleculebiolink:MolecularEntitybiolink:ChemicalEntitybiolink:PhysicalEssencebiolink:ChemicalOrDrugOrTreatmentbiolink:ChemicalEntityOrGeneOrGeneProductbiolink:ChemicalEntityOrProteinOrPolypeptidebiolink:NamedThingbiolink:PhysicalEssenceOrOccurrent	CHEBI:28905UNII:E920VF499LPUBCHEM.COMPOUND:7859CHEMBL.COMPOUND:CHEMBL1563026MESH:C028255CAS:107-19-7KEGG.COMPOUND:C05986INCHIKEY:TVDSBUOJIPERQY-UHFFFAOYSA-NUMLS:C0072165	90.9	A terminal acetylenic compound that is prop-2-yne substituted by a hydroxy group at position 1.
CHEBI:18224	Isoeugenol	biolink:SmallMoleculebiolink:MolecularEntitybiolink:ChemicalEntitybiolink:PhysicalEssencebiolink:ChemicalOrDrugOrTreatmentbiolink:ChemicalEntityOrGeneOrGeneProductbiolink:ChemicalEntityOrProteinOrPolypeptidebiolink:NamedThingbiolink:PhysicalEssenceOrOccurrent	CHEBI:18224PUBCHEM.COMPOUND:7338CHEMBL.COMPOUND:CHEMBL2135887DRUGBANK:DB14188HMDB:HMDB0249885INCHIKEY:BJIOGJUNALELMI-UHFFFAOYSA-N	85.5	A phenylpropanoid that is an isomer of eugenol in which the allyl substituent is replaced by a prop-1-enyl group.
CHEBI:64206	bromochloroacetic acid	biolink:SmallMoleculebiolink:MolecularEntitybiolink:ChemicalEntitybiolink:PhysicalEssencebiolink:ChemicalOrDrugOrTreatmentbiolink:ChemicalEntityOrGeneOrGeneProductbiolink:ChemicalEntityOrProteinOrPolypeptidebiolink:NamedThingbiolink:PhysicalEssenceOrOccurrent	CHEBI:64206UNII:AL8MZ37Y51PUBCHEM.COMPOUND:542762CHEMBL.COMPOUND:CHEMBL504842MESH:C099813CAS:5589-96-8CAS:627-754-9KEGG.COMPOUND:C19212INCHIKEY:GEHJBWKLJVFKPS-UHFFFAOYSA-NUMLS:C0390345	100.0	A monocarboxylic acid that is acetic acid in which one of the methyl hydrogens is replaced by bromine while a second is replaced by chlorine. A low-melting (27.5-31.5degreeC), hygroscopic crystalline solid, it can be formed during the disinfection (by chlorination) of water that contains bromide ions and organic matter, so can occur in drinking water as a byproduct of the disinfection process.
UNII:52125XYY2A	SODIUM DICHROMATE DIHYDRATE	biolink:ChemicalEntitybiolink:PhysicalEssencebiolink:ChemicalOrDrugOrTreatmentbiolink:ChemicalEntityOrGeneOrGeneProductbiolink:ChemicalEntityOrProteinOrPolypeptidebiolink:NamedThingbiolink:PhysicalEssenceOrOccurrent	UNII:52125XYY2AINCHIKEY:JYDRNIYTFCBIFC-UHFFFAOYSA-N		
CHEBI:28088	Genistein	biolink:SmallMoleculebiolink:MolecularEntitybiolink:ChemicalEntitybiolink:PhysicalEssencebiolink:ChemicalOrDrugOrTreatmentbiolink:ChemicalEntityOrGeneOrGeneProductbiolink:ChemicalEntityOrProteinOrPolypeptidebiolink:NamedThingbiolink:PhysicalEssenceOrOccurrent	CHEBI:28088UNII:DH2M523P0HPUBCHEM.COMPOUND:5280961CHEMBL.COMPOUND:CHEMBL44DRUGBANK:DB01645MESH:D019833CAS:207-174-9CAS:446-72-0CAS:690224-00-1GTOPDB:2826HMDB:HMDB0003217KEGG.COMPOUND:C06563INCHIKEY:TZBJGXHYKVUXJN-UHFFFAOYSA-NUMLS:C0061202RXCUI:25696	83.1	A 7-hydroxyisoflavone with additional hydroxy groups at positions 5 and 4'. It is a phytoestrogenic isoflavone with antioxidant properties.
CHEBI:82445	Dibromoacetonitrile	biolink:SmallMoleculebiolink:MolecularEntitybiolink:ChemicalEntitybiolink:PhysicalEssencebiolink:ChemicalOrDrugOrTreatmentbiolink:ChemicalEntityOrGeneOrGeneProductbiolink:ChemicalEntityOrProteinOrPolypeptidebiolink:NamedThingbiolink:PhysicalEssenceOrOccurrent	CHEBI:82445UNII:VGJ91H57XUPUBCHEM.COMPOUND:18617CHEMBL.COMPOUND:CHEMBL1462419MESH:C051715CAS:221-843-2CAS:3252-43-5KEGG.COMPOUND:C19396INCHIKEY:NDSBDLSWTGLNQA-UHFFFAOYSA-NUMLS:C0113658	100.0	
CHEBI:35060	2-PHENYLPROPENE	biolink:SmallMoleculebiolink:MolecularEntitybiolink:ChemicalEntitybiolink:PhysicalEssencebiolink:ChemicalOrDrugOrTreatmentbiolink:ChemicalEntityOrGeneOrGeneProductbiolink:ChemicalEntityOrProteinOrPolypeptidebiolink:NamedThingbiolink:PhysicalEssenceOrOccurrent	CHEBI:35060UNII:D46R9753IKPUBCHEM.COMPOUND:7407CHEMBL.COMPOUND:CHEMBL1344773MESH:C017915CAS:202-705-0CAS:98-83-9HMDB:HMDB0059899KEGG.COMPOUND:C14395INCHIKEY:XYLMUPLGERFSHI-UHFFFAOYSA-NUMLS:C0051425	95.4	
CHEBI:34656	cumene	biolink:SmallMoleculebiolink:MolecularEntitybiolink:ChemicalEntitybiolink:PhysicalEssencebiolink:ChemicalOrDrugOrTreatmentbiolink:ChemicalEntityOrGeneOrGeneProductbiolink:ChemicalEntityOrProteinOrPolypeptidebiolink:NamedThingbiolink:PhysicalEssenceOrOccurrent	CHEBI:34656UNII:8Q54S3XE7KPUBCHEM.COMPOUND:7406CHEMBL.COMPOUND:CHEMBL1398949MESH:C015763CAS:101316-43-2CAS:202-704-5CAS:98-82-8HMDB:HMDB0034029KEGG.COMPOUND:C14396INCHIKEY:RWGFKTVRMDUZSP-UHFFFAOYSA-NUMLS:C0056587	86.3	An alkylbenzene that is benzene carrying an isopropyl group.
CHEBI:16397	formamide	biolink:SmallMoleculebiolink:MolecularEntitybiolink:ChemicalEntitybiolink:PhysicalEssencebiolink:ChemicalOrDrugOrTreatmentbiolink:ChemicalEntityOrGeneOrGeneProductbiolink:ChemicalEntityOrProteinOrPolypeptidebiolink:NamedThingbiolink:PhysicalEssenceOrOccurrent	CHEBI:16397UNII:4781T907ZSPUBCHEM.COMPOUND:713CHEMBL.COMPOUND:CHEMBL266160MESH:C031066CAS:200-842-0CAS:60100-09-6CAS:75-12-7GTOPDB:4739HMDB:HMDB0001536KEGG.COMPOUND:C00488INCHIKEY:ZHNUHDYFZUAESO-UHFFFAOYSA-NUMLS:C0016568	79.6	The simplest monocarboxylic acid amide, obtained by formal condensation of formic acid with ammonia. The parent of the class of formaldehydes.
MPATH:242	242	biolink:NamedThing			
UNII:T42P99266K	METHYLENE BLUE	biolink:MolecularMixturebiolink:ChemicalMixturebiolink:ChemicalEntitybiolink:PhysicalEssencebiolink:ChemicalOrDrugOrTreatmentbiolink:ChemicalEntityOrGeneOrGeneProductbiolink:ChemicalEntityOrProteinOrPolypeptidebiolink:NamedThingbiolink:PhysicalEssenceOrOccurrent	UNII:T42P99266KPUBCHEM.COMPOUND:104827CHEMBL.COMPOUND:CHEMBL550495CAS:7220-79-3INCHIKEY:XQAXGZLFSSPBMK-UHFFFAOYSA-M		
CHEBI:82344	Methyl isobutyl ketone	biolink:SmallMoleculebiolink:MolecularEntitybiolink:ChemicalEntitybiolink:PhysicalEssencebiolink:ChemicalOrDrugOrTreatmentbiolink:ChemicalEntityOrGeneOrGeneProductbiolink:ChemicalEntityOrProteinOrPolypeptidebiolink:NamedThingbiolink:PhysicalEssenceOrOccurrent	CHEBI:82344UNII:U5T7B88CNPPUBCHEM.COMPOUND:7909CHEMBL.COMPOUND:CHEMBL285323MESH:C005458CAS:108-10-1CAS:203-550-1HMDB:HMDB0002939KEGG.COMPOUND:C19263INCHIKEY:NTIZESTWPVYFNL-UHFFFAOYSA-NUMLS:C0066255RXCUI:1362929	95.4	
CHEBI:90124	dibromoacetic acid	biolink:SmallMoleculebiolink:MolecularEntitybiolink:ChemicalEntitybiolink:PhysicalEssencebiolink:ChemicalOrDrugOrTreatmentbiolink:ChemicalEntityOrGeneOrGeneProductbiolink:ChemicalEntityOrProteinOrPolypeptidebiolink:NamedThingbiolink:PhysicalEssenceOrOccurrent	CHEBI:90124UNII:7FUW62YY5LPUBCHEM.COMPOUND:12433CHEMBL.COMPOUND:CHEMBL449362MESH:C088674CAS:10024-50-7CAS:211-165-5CAS:631-64-1KEGG.COMPOUND:C20123INCHIKEY:SIEILFNCEFEENQ-UHFFFAOYSA-NUMLS:C0257716	100.0	A monocarboxylic acid that is acetic acid in which two of the methyl hydrogens are replaced by bromo groups.
CHEBI:40035	4-Methylimidazole	biolink:SmallMoleculebiolink:MolecularEntitybiolink:ChemicalEntitybiolink:PhysicalEssencebiolink:ChemicalOrDrugOrTreatmentbiolink:ChemicalEntityOrGeneOrGeneProductbiolink:ChemicalEntityOrProteinOrPolypeptidebiolink:NamedThingbiolink:PhysicalEssenceOrOccurrent	CHEBI:40035UNII:Q64GF9FV4IPUBCHEM.COMPOUND:13195CHEMBL.COMPOUND:CHEMBL1230309DRUGBANK:DB03385MESH:C023439CAS:212-497-3CAS:822-36-6CAS:928113-28-4HMDB:HMDB0246511KEGG.COMPOUND:C19262INCHIKEY:XLSZMDLNRCVEIJ-UHFFFAOYSA-NUMLS:C0048498	100.0	Imidazole substituted at position 4 by a methyl group.
CHEBI:41308	Benzophenone	biolink:SmallMoleculebiolink:MolecularEntitybiolink:ChemicalEntitybiolink:PhysicalEssencebiolink:ChemicalOrDrugOrTreatmentbiolink:ChemicalEntityOrGeneOrGeneProductbiolink:ChemicalEntityOrProteinOrPolypeptidebiolink:NamedThingbiolink:PhysicalEssenceOrOccurrent	CHEBI:41308UNII:701M4TTV9OPUBCHEM.COMPOUND:3102CHEMBL.COMPOUND:CHEMBL90039DRUGBANK:DB01878MESH:C047723CAS:119-61-9HMDB:HMDB0032049KEGG.COMPOUND:C06354INCHIKEY:RWCCWEUUXYIKHB-UHFFFAOYSA-NUMLS:C0053233RXCUI:18997	88.2	The simplest member of the class of benzophenones, being formaldehyde in which both hydrogens are replaced by phenyl groups.
MPATH:506	506	biolink:NamedThing			
CHEBI:34591	bromodichloromethane	biolink:SmallMoleculebiolink:MolecularEntitybiolink:ChemicalEntitybiolink:PhysicalEssencebiolink:ChemicalOrDrugOrTreatmentbiolink:ChemicalEntityOrGeneOrGeneProductbiolink:ChemicalEntityOrProteinOrPolypeptidebiolink:NamedThingbiolink:PhysicalEssenceOrOccurrent	CHEBI:34591UNII:7LN464CH2OPUBCHEM.COMPOUND:6359CHEMBL.COMPOUND:CHEMBL346231MESH:C025191CAS:200-856-7CAS:75-27-4HMDB:HMDB0061732KEGG.COMPOUND:C14708INCHIKEY:FMWLUWPQPKEARP-UHFFFAOYSA-NUMLS:C0054119	95.4	A halomethane that is dichloromethane in which oneof the hydrogens has been replaced by a bromine atom. It occurs as a contaminant in drinking water.
CHEBI:34036	1,2,3-Trichloropropane	biolink:SmallMoleculebiolink:MolecularEntitybiolink:ChemicalEntitybiolink:PhysicalEssencebiolink:ChemicalOrDrugOrTreatmentbiolink:ChemicalEntityOrGeneOrGeneProductbiolink:ChemicalEntityOrProteinOrPolypeptidebiolink:NamedThingbiolink:PhysicalEssenceOrOccurrent	CHEBI:34036UNII:3MJ7QCK0Z0PUBCHEM.COMPOUND:7285CHEMBL.COMPOUND:CHEMBL346933MESH:C009536CAS:202-486-1CAS:96-18-4HMDB:HMDB0244109KEGG.COMPOUND:C14400INCHIKEY:CFXQEHVMCRXUSD-UHFFFAOYSA-NUMLS:C0043760	95.4	
MPATH:543	543	biolink:NamedThing			
CHEBI:82294	2,2-Bis(bromomethyl)propane-1,3-diol	biolink:SmallMoleculebiolink:MolecularEntitybiolink:ChemicalEntitybiolink:PhysicalEssencebiolink:ChemicalOrDrugOrTreatmentbiolink:ChemicalEntityOrGeneOrGeneProductbiolink:ChemicalEntityOrProteinOrPolypeptidebiolink:NamedThingbiolink:PhysicalEssenceOrOccurrent	CHEBI:82294UNII:4ZHG182S25PUBCHEM.COMPOUND:18692CHEMBL.COMPOUND:CHEMBL1407005MESH:C060080MESH:C545215CAS:3296-90-0HMDB:HMDB0303734KEGG.COMPOUND:C19199INCHIKEY:CHUGKEQJSLOLHL-UHFFFAOYSA-NUMLS:C0045288UMLS:C2741985	100.0	
CHEBI:77701	nitromethane	biolink:SmallMoleculebiolink:MolecularEntitybiolink:ChemicalEntitybiolink:PhysicalEssencebiolink:ChemicalOrDrugOrTreatmentbiolink:ChemicalEntityOrGeneOrGeneProductbiolink:ChemicalEntityOrProteinOrPolypeptidebiolink:NamedThingbiolink:PhysicalEssenceOrOccurrent	CHEBI:77701UNII:RU5WG8C3F4PUBCHEM.COMPOUND:6375CHEMBL.COMPOUND:CHEMBL276924MESH:C008640CAS:200-876-6CAS:23717-53-5CAS:75-52-5HMDB:HMDB0255654KEGG.COMPOUND:C19275INCHIKEY:LYGJENNIWJXYER-UHFFFAOYSA-NUMLS:C0068849	95.4	A primary nitroalkane that is methane in which one of the hydrogens is replace by a nitro group. A polar solvent (b.p. 101 degreeC), it is an important starting material in organic synthesis. It is also used as a fuel for rockets and radio-controlled models.
CHEBI:181416	Leucomalachite green	biolink:SmallMoleculebiolink:MolecularEntitybiolink:ChemicalEntitybiolink:PhysicalEssencebiolink:ChemicalOrDrugOrTreatmentbiolink:ChemicalEntityOrGeneOrGeneProductbiolink:ChemicalEntityOrProteinOrPolypeptidebiolink:NamedThingbiolink:PhysicalEssenceOrOccurrent	CHEBI:181416UNII:8U61G37Z20PUBCHEM.COMPOUND:67215CHEMBL.COMPOUND:CHEMBL1898627MESH:C015320CAS:129-73-7CAS:204-961-9HMDB:HMDB0254033INCHIKEY:WZKXBGJNNCGHIC-UHFFFAOYSA-NUMLS:C0064807	100.0	
CHEBI:81508	2,3,4,7,8-Pentachlorodibenzofuran	biolink:SmallMoleculebiolink:MolecularEntitybiolink:ChemicalEntitybiolink:PhysicalEssencebiolink:ChemicalOrDrugOrTreatmentbiolink:ChemicalEntityOrGeneOrGeneProductbiolink:ChemicalEntityOrProteinOrPolypeptidebiolink:NamedThingbiolink:PhysicalEssenceOrOccurrent	CHEBI:81508UNII:U4C2RV3124PUBCHEM.COMPOUND:42128CHEMBL.COMPOUND:CHEMBL335558MESH:C038890CAS:57117-31-4CAS:694-761-1HMDB:HMDB0245434KEGG.COMPOUND:C18106INCHIKEY:OGBQILNBLMPPDP-UHFFFAOYSA-NUMLS:C0045322	100.0	
CHEBI:28119	TCDD	biolink:SmallMoleculebiolink:MolecularEntitybiolink:ChemicalEntitybiolink:PhysicalEssencebiolink:ChemicalOrDrugOrTreatmentbiolink:ChemicalEntityOrGeneOrGeneProductbiolink:ChemicalEntityOrProteinOrPolypeptidebiolink:NamedThingbiolink:PhysicalEssenceOrOccurrent	CHEBI:28119CHEBI:36682UNII:DO80M48B6OPUBCHEM.COMPOUND:15625CHEMBL.COMPOUND:CHEMBL30327MESH:D000072317MESH:D013749CAS:1746-01-6CAS:217-122-7CAS:56795-67-6GTOPDB:9642HMDB:HMDB0258755KEGG.COMPOUND:C07557INCHIKEY:HGUFODBRKLSHSI-UHFFFAOYSA-NUMLS:C4277576	81.3	Any dibenzodioxine in which two or more hydrogens have been replaced by chlorines.
CHEBI:34317	3,3',4,4',5-pentachlorobiphenyl	biolink:SmallMoleculebiolink:MolecularEntitybiolink:ChemicalEntitybiolink:PhysicalEssencebiolink:ChemicalOrDrugOrTreatmentbiolink:ChemicalEntityOrGeneOrGeneProductbiolink:ChemicalEntityOrProteinOrPolypeptidebiolink:NamedThingbiolink:PhysicalEssenceOrOccurrent	CHEBI:34317UNII:TSH69IA9XFPUBCHEM.COMPOUND:63090CHEMBL.COMPOUND:CHEMBL342696MESH:C023035CAS:57465-28-8HMDB:HMDB0246010KEGG.COMPOUND:C14573INCHIKEY:REHONNLQRWTIFF-UHFFFAOYSA-NUMLS:C0046929	90.9	A pentachlorobiphenyl in which the chlorines are located at the 3, 4, 5, 3', and 4' positions.
CHEBI:28621	Trolamine	biolink:SmallMoleculebiolink:MolecularEntitybiolink:ChemicalEntitybiolink:PhysicalEssencebiolink:ChemicalOrDrugOrTreatmentbiolink:ChemicalEntityOrGeneOrGeneProductbiolink:ChemicalEntityOrProteinOrPolypeptidebiolink:NamedThingbiolink:PhysicalEssenceOrOccurrent	CHEBI:28621UNII:9O3K93S3TKPUBCHEM.COMPOUND:7618CHEMBL.COMPOUND:CHEMBL446061DRUGBANK:DB13747MESH:C009546CAS:102-71-6DrugCentral:2768HMDB:HMDB0032538KEGG.COMPOUND:C06771INCHIKEY:GSEJCLTVZPLZKY-UHFFFAOYSA-NUMLS:C0077089RXCUI:38623	95.4	A tertiary amino compound that is ammonia in which each of the hydrogens is substituted by a 2-hydroxyethyl group.
CHEBI:65242	sodium chlorate	biolink:MolecularMixturebiolink:ChemicalMixturebiolink:ChemicalEntitybiolink:PhysicalEssencebiolink:ChemicalOrDrugOrTreatmentbiolink:ChemicalEntityOrGeneOrGeneProductbiolink:ChemicalEntityOrProteinOrPolypeptidebiolink:NamedThingbiolink:PhysicalEssenceOrOccurrent	CHEBI:65242UNII:T95DR77GMRPUBCHEM.COMPOUND:516902CHEMBL.COMPOUND:CHEMBL1559268MESH:C032706CAS:231-887-4CAS:7775-09-9CAS:9011-70-5KEGG.COMPOUND:C18765INCHIKEY:YZHUMGUJCQRKBT-UHFFFAOYSA-MUMLS:C0244223RXCUI:1366921	100.0	An inorganic sodium salt that has chlorate as the counter-ion. An oxidising agent, it is used for bleaching paper and as a herbicide. It is also used in the manufacture of dyes, explosives and matches.
UNII:T0049Z45LZ	2-methylimidazole	biolink:SmallMoleculebiolink:MolecularEntitybiolink:ChemicalEntitybiolink:PhysicalEssencebiolink:ChemicalOrDrugOrTreatmentbiolink:ChemicalEntityOrGeneOrGeneProductbiolink:ChemicalEntityOrProteinOrPolypeptidebiolink:NamedThingbiolink:PhysicalEssenceOrOccurrent	UNII:T0049Z45LZPUBCHEM.COMPOUND:12749CHEMBL.COMPOUND:CHEMBL293391MESH:C032655CAS:211-765-7CAS:693-98-1HMDB:HMDB0245233KEGG.COMPOUND:C19261INCHIKEY:LXBGSDVWAMZHDD-UHFFFAOYSA-NUMLS:C0046384		
CHEBI:82413	1-tert-Butoxy-2-propanol	biolink:SmallMoleculebiolink:MolecularEntitybiolink:ChemicalEntitybiolink:PhysicalEssencebiolink:ChemicalOrDrugOrTreatmentbiolink:ChemicalEntityOrGeneOrGeneProductbiolink:ChemicalEntityOrProteinOrPolypeptidebiolink:NamedThingbiolink:PhysicalEssenceOrOccurrent	CHEBI:82413UNII:03077MV85BPUBCHEM.COMPOUND:92629CHEMBL.COMPOUND:CHEMBL1456695MESH:C487282CAS:57018-52-7CAS:611-448-7KEGG.COMPOUND:C19356INCHIKEY:GQCZPFJGIXHZMB-UHFFFAOYSA-NUMLS:C1452971	100.0	
CHEBI:38853	decalin	biolink:SmallMoleculebiolink:MolecularEntitybiolink:ChemicalEntitybiolink:PhysicalEssencebiolink:ChemicalOrDrugOrTreatmentbiolink:ChemicalEntityOrGeneOrGeneProductbiolink:ChemicalEntityOrProteinOrPolypeptidebiolink:NamedThingbiolink:PhysicalEssenceOrOccurrent	CHEBI:38853UNII:88451Q4XYFPUBCHEM.COMPOUND:7044CHEMBL.COMPOUND:CHEMBL1491920MESH:C007229CAS:202-046-9CAS:207-770-9CAS:207-771-4CAS:493-01-6CAS:493-02-7CAS:649-010-2CAS:91-17-8HMDB:HMDB0250288INCHIKEY:NNBZCPXTIHJBJL-UHFFFAOYSA-NUMLS:C0057229	85.5	An ortho-fused bicyclic hydrocarbon that is the decahydro- derivative of naphthalene.
CHEBI:17967	Urethane	biolink:SmallMoleculebiolink:MolecularEntitybiolink:ChemicalEntitybiolink:PhysicalEssencebiolink:ChemicalOrDrugOrTreatmentbiolink:ChemicalEntityOrGeneOrGeneProductbiolink:ChemicalEntityOrProteinOrPolypeptidebiolink:NamedThingbiolink:PhysicalEssenceOrOccurrent	CHEBI:17967UNII:3IN71E75Z5PUBCHEM.COMPOUND:5641CHEMBL.COMPOUND:CHEMBL462547DRUGBANK:DB04827MESH:D014520CAS:51-79-6HMDB:HMDB0031219KEGG.COMPOUND:C01537INCHIKEY:JOYRKODLDBILNP-UHFFFAOYSA-NUMLS:C0041964RXCUI:1420982	89.4	A carbamate ester obtained by the formal condensation of ethanol with carbamic acid. It has been found in alcoholic beverages.
MONDO:0006055	sex cord-stromal tumor	biolink:Diseasebiolink:DiseaseOrPhenotypicFeaturebiolink:BiologicalEntitybiolink:ThingWithTaxonbiolink:NamedThing	MONDO:0006055DOID:192EFO:1000052UMLS:C0206724MESH:D018312NCIT:C3794SNOMEDCT:1332419003medgen:104926	69.3	A neoplasm involving a sex cord.
PUBCHEM.COMPOUND:8901	Hexa-2,4-dienal	biolink:SmallMoleculebiolink:MolecularEntitybiolink:ChemicalEntitybiolink:PhysicalEssencebiolink:ChemicalOrDrugOrTreatmentbiolink:ChemicalEntityOrGeneOrGeneProductbiolink:ChemicalEntityOrProteinOrPolypeptidebiolink:NamedThingbiolink:PhysicalEssenceOrOccurrent	PUBCHEM.COMPOUND:8901INCHIKEY:BATOPAZDIZEVQF-UHFFFAOYSA-N		
CHEBI:63924	riddelliine	biolink:SmallMoleculebiolink:MolecularEntitybiolink:ChemicalEntitybiolink:PhysicalEssencebiolink:ChemicalOrDrugOrTreatmentbiolink:ChemicalEntityOrGeneOrGeneProductbiolink:ChemicalEntityOrProteinOrPolypeptidebiolink:NamedThingbiolink:PhysicalEssenceOrOccurrent	CHEBI:63924UNII:81YO8GX9J8PUBCHEM.COMPOUND:5281744MESH:C013672CAS:23246-96-0KEGG.COMPOUND:C10375INCHIKEY:SVCNNZDUGWLODJ-RAYFHMIRSA-NUMLS:C0073363	95.4	A macrodiolide that is 13,19-didehydrosenecionan bearing two additional hydroxy substituents at positions 12 and 18 as well as two additional oxo groups at positions 11 and 16.
CHEBI:30045	divanadium pentaoxide	biolink:SmallMoleculebiolink:MolecularEntitybiolink:ChemicalEntitybiolink:PhysicalEssencebiolink:ChemicalOrDrugOrTreatmentbiolink:ChemicalEntityOrGeneOrGeneProductbiolink:ChemicalEntityOrProteinOrPolypeptidebiolink:NamedThingbiolink:PhysicalEssenceOrOccurrent	CHEBI:30045PUBCHEM.COMPOUND:14814MESH:C066075CAS:11099-11-9CAS:1314-62-1KEGG.COMPOUND:C19308INCHIKEY:GNTDGMZSJNCJKK-UHFFFAOYSA-NUMLS:C0084943	95.4	
CHEBI:28217	acrylonitrile	biolink:SmallMoleculebiolink:MolecularEntitybiolink:ChemicalEntitybiolink:PhysicalEssencebiolink:ChemicalOrDrugOrTreatmentbiolink:ChemicalEntityOrGeneOrGeneProductbiolink:ChemicalEntityOrProteinOrPolypeptidebiolink:NamedThingbiolink:PhysicalEssenceOrOccurrent	CHEBI:28217UNII:MP1U0D42PEPUBCHEM.COMPOUND:7855CHEMBL.COMPOUND:CHEMBL445612MESH:D000181CAS:107-13-1CAS:203-466-5CAS:613-396-0CAS:63908-52-1HMDB:HMDB0247972KEGG.COMPOUND:C01998INCHIKEY:NLHHRLWOUZZQLW-UHFFFAOYSA-NUMLS:C0001223	90.9	A nitrile that is hydrogen cyanide in which the hydrogen has been replaced by an ethenyl group.
CHEBI:33098	2-nitrotoluene	biolink:SmallMoleculebiolink:MolecularEntitybiolink:ChemicalEntitybiolink:PhysicalEssencebiolink:ChemicalOrDrugOrTreatmentbiolink:ChemicalEntityOrGeneOrGeneProductbiolink:ChemicalEntityOrProteinOrPolypeptidebiolink:NamedThingbiolink:PhysicalEssenceOrOccurrent	CHEBI:33098UNII:6Q9N88YIAYPUBCHEM.COMPOUND:6944CHEMBL.COMPOUND:CHEMBL47047MESH:C029955CAS:1321-12-6CAS:88-72-2HMDB:HMDB0245268KEGG.COMPOUND:C19597INCHIKEY:PLAZTCDQAHEYBI-UHFFFAOYSA-NUMLS:C0046462	95.4	A mononitrotoluene that is toluene carrying a nitro substituent at position 2.
MPATH:417	417	biolink:NamedThing			
CHEBI:28142	Chloral hydrate	biolink:SmallMoleculebiolink:MolecularEntitybiolink:ChemicalEntitybiolink:PhysicalEssencebiolink:ChemicalOrDrugOrTreatmentbiolink:ChemicalEntityOrGeneOrGeneProductbiolink:ChemicalEntityOrProteinOrPolypeptidebiolink:NamedThingbiolink:PhysicalEssenceOrOccurrent	CHEBI:28142UNII:418M5916WGPUBCHEM.COMPOUND:2707CHEMBL.COMPOUND:CHEMBL455917DRUGBANK:DB01563MESH:D002697CAS:206-117-5CAS:302-17-0DrugCentral:586HMDB:HMDB0060451KEGG.COMPOUND:C06899INCHIKEY:RNFNDJAIBTYOQL-UHFFFAOYSA-NUMLS:C0008161RXCUI:2344	100.0	An organochlorine compound that is the hydrate of trichloroacetaldehyde.
CHEBI:16482	naphthalene	biolink:SmallMoleculebiolink:MolecularEntitybiolink:ChemicalEntitybiolink:PhysicalEssencebiolink:ChemicalOrDrugOrTreatmentbiolink:ChemicalEntityOrGeneOrGeneProductbiolink:ChemicalEntityOrProteinOrPolypeptidebiolink:NamedThingbiolink:PhysicalEssenceOrOccurrent	CHEBI:16482UNII:2166IN72UNPUBCHEM.COMPOUND:931CHEMBL.COMPOUND:CHEMBL16293MESH:C031721CAS:202-049-5CAS:31807-65-5CAS:91-20-3HMDB:HMDB0029751KEGG.COMPOUND:C00829INCHIKEY:UFWIBTONFRDIAS-UHFFFAOYSA-NUMLS:C0027375RXCUI:1311149	73.3	An aromatic hydrocarbon comprising two fused benzene rings. It occurs in the essential oils of numerous plant species e.g. magnolia.
MPATH:376	376	biolink:NamedThing			
UNII:SD36LG60G1	indium phosphide	biolink:SmallMoleculebiolink:MolecularEntitybiolink:ChemicalEntitybiolink:PhysicalEssencebiolink:ChemicalOrDrugOrTreatmentbiolink:ChemicalEntityOrGeneOrGeneProductbiolink:ChemicalEntityOrProteinOrPolypeptidebiolink:NamedThingbiolink:PhysicalEssenceOrOccurrent	UNII:SD36LG60G1PUBCHEM.COMPOUND:31170MESH:C090882CAS:22398-80-7CAS:244-959-5INCHIKEY:GPXJNWSHGFTCBW-UHFFFAOYSA-NUMLS:C0291864		
CHEBI:35227	4-nitrotoluene	biolink:SmallMoleculebiolink:MolecularEntitybiolink:ChemicalEntitybiolink:PhysicalEssencebiolink:ChemicalOrDrugOrTreatmentbiolink:ChemicalEntityOrGeneOrGeneProductbiolink:ChemicalEntityOrProteinOrPolypeptidebiolink:NamedThingbiolink:PhysicalEssenceOrOccurrent	CHEBI:35227UNII:E88IMG14EXPUBCHEM.COMPOUND:7473CHEMBL.COMPOUND:CHEMBL155320MESH:C017572CAS:99-99-0HMDB:HMDB0246551KEGG.COMPOUND:C14394INCHIKEY:ZPTVNYMJQHSSEA-UHFFFAOYSA-NUMLS:C0048644	90.9	A mononitrotoluene that consists of toluene bearing a nitro substituent at the 4-position.
CHEBI:38221	fumonisin B1	biolink:SmallMoleculebiolink:MolecularEntitybiolink:ChemicalEntitybiolink:PhysicalEssencebiolink:ChemicalOrDrugOrTreatmentbiolink:ChemicalEntityOrGeneOrGeneProductbiolink:ChemicalEntityOrProteinOrPolypeptidebiolink:NamedThingbiolink:PhysicalEssenceOrOccurrent	CHEBI:38221UNII:3ZZM97XZ32PUBCHEM.COMPOUND:2733487CHEMBL.COMPOUND:CHEMBL5282242MESH:C056933CAS:621-436-3INCHIKEY:UVBUBMSSQKOIBE-DSLOAKGESA-NUMLS:C0060836	95.4	A diester that results from the condensation of the 1-carboxy groups of two molecules of propane-1,2,3-tricarboxylic acid with hydroxy groups at positions 14 and 15 of (2S,3S,5R,10R,12S,14S,15R,16R)-2-amino-12,16-dimethylicosane-3,5,10,14,15-pentol.
CHEBI:40448	ANTHRAQUINONE	biolink:SmallMoleculebiolink:MolecularEntitybiolink:ChemicalEntitybiolink:PhysicalEssencebiolink:ChemicalOrDrugOrTreatmentbiolink:ChemicalEntityOrGeneOrGeneProductbiolink:ChemicalEntityOrProteinOrPolypeptidebiolink:NamedThingbiolink:PhysicalEssenceOrOccurrent	CHEBI:40448UNII:030MS0JBDOPUBCHEM.COMPOUND:6780CHEMBL.COMPOUND:CHEMBL55659MESH:C042834CAS:201-549-0CAS:71730-08-0CAS:84-65-1HMDB:HMDB0248468KEGG.COMPOUND:C16207INCHIKEY:RZVHIXYEVGDQDX-UHFFFAOYSA-NUMLS:C0050133RXCUI:1482551	90.9	An anthraquinone that is anthracene in which positions 9 and 10 have been oxidised to carbonyls.
UNII:27FC46GA44	gallium arsenide	biolink:ChemicalEntitybiolink:PhysicalEssencebiolink:ChemicalOrDrugOrTreatmentbiolink:ChemicalEntityOrGeneOrGeneProductbiolink:ChemicalEntityOrProteinOrPolypeptidebiolink:NamedThingbiolink:PhysicalEssenceOrOccurrent	UNII:27FC46GA44MESH:C043055INCHIKEY:JBRZTFJDHDCESZ-UHFFFAOYSA-NUMLS:C0061005		
CHEBI:4918	O-methyleugenol	biolink:SmallMoleculebiolink:MolecularEntitybiolink:ChemicalEntitybiolink:PhysicalEssencebiolink:ChemicalOrDrugOrTreatmentbiolink:ChemicalEntityOrGeneOrGeneProductbiolink:ChemicalEntityOrProteinOrPolypeptidebiolink:NamedThingbiolink:PhysicalEssenceOrOccurrent	CHEBI:4918UNII:29T9VA6R7MPUBCHEM.COMPOUND:7127CHEMBL.COMPOUND:CHEMBL108861MESH:C005223CAS:202-223-0CAS:93-15-2HMDB:HMDB0031864KEGG.COMPOUND:C10454INCHIKEY:ZYEMGPIYFIJGTP-UHFFFAOYSA-NUMLS:C0066372RXCUI:1368373	95.4	
MPATH:365	365	biolink:NamedThing			
CHEBI:43907	isobutylene	biolink:SmallMoleculebiolink:MolecularEntitybiolink:ChemicalEntitybiolink:PhysicalEssencebiolink:ChemicalOrDrugOrTreatmentbiolink:ChemicalEntityOrGeneOrGeneProductbiolink:ChemicalEntityOrProteinOrPolypeptidebiolink:NamedThingbiolink:PhysicalEssenceOrOccurrent	CHEBI:43907UNII:QA2LMR467HPUBCHEM.COMPOUND:8255MESH:C008176CAS:115-11-7CAS:13001-05-3CAS:204-066-3CAS:42278-27-3HMDB:HMDB0253606INCHIKEY:VQTUBCCKSQIDNK-UHFFFAOYSA-NUMLS:C0063930RXCUI:2099712	100.0	An alkene that is prop-1-ene substituted by a methyl group at position 2.
CHEBI:35194	isoprene	biolink:SmallMoleculebiolink:MolecularEntitybiolink:ChemicalEntitybiolink:PhysicalEssencebiolink:ChemicalOrDrugOrTreatmentbiolink:ChemicalEntityOrGeneOrGeneProductbiolink:ChemicalEntityOrProteinOrPolypeptidebiolink:NamedThingbiolink:PhysicalEssenceOrOccurrent	CHEBI:35194CHEBI:53405UNII:0A62964IBUPUBCHEM.COMPOUND:6557CHEMBL.COMPOUND:CHEMBL1566132MESH:C005059MESH:D012408CAS:201-143-3CAS:26796-44-1CAS:78-79-5CAS:9006-04-6CAS:9041-65-0HMDB:HMDB0253673KEGG.COMPOUND:C16521INCHIKEY:RRHGJUQNOFWUDK-UHFFFAOYSA-NUMLS:C0035918UMLS:C0064044RXCUI:1364275	87.2	A hemiterpene with the formula CH2=C(CH3)CH=CH2; the monomer of natural rubber and a common structure motif to the isoprenoids, a large class of other naturally occurring compounds.
UNII:L76T0ZCA8K	Oxymetholone	biolink:SmallMoleculebiolink:MolecularEntitybiolink:ChemicalEntitybiolink:PhysicalEssencebiolink:ChemicalOrDrugOrTreatmentbiolink:ChemicalEntityOrGeneOrGeneProductbiolink:ChemicalEntityOrProteinOrPolypeptidebiolink:NamedThingbiolink:PhysicalEssenceOrOccurrent	UNII:L76T0ZCA8KPUBCHEM.COMPOUND:5281034CHEMBL.COMPOUND:CHEMBL1200585DRUGBANK:DB06412CAS:207-098-6CAS:434-07-1DrugCentral:2033KEGG.COMPOUND:C07393INCHIKEY:ICMWWNHDUZJFDW-DHODBPELSA-NUMLS:C0030072RXCUI:7813		
CHEBI:63921	2-butoxyethanol	biolink:SmallMoleculebiolink:MolecularEntitybiolink:ChemicalEntitybiolink:PhysicalEssencebiolink:ChemicalOrDrugOrTreatmentbiolink:ChemicalEntityOrGeneOrGeneProductbiolink:ChemicalEntityOrProteinOrPolypeptidebiolink:NamedThingbiolink:PhysicalEssenceOrOccurrent	CHEBI:63921UNII:I0P9XEZ9WVPUBCHEM.COMPOUND:8133CHEMBL.COMPOUND:CHEMBL284588MESH:C017096CAS:111-76-2CAS:203-905-0CAS:500-012-0CAS:686-062-5CAS:9004-77-7CAS:937-444-8HMDB:HMDB0031327KEGG.COMPOUND:C19355INCHIKEY:POAOYUHQDCAZBD-UHFFFAOYSA-NUMLS:C0067869RXCUI:2385885	92.8	A primary alcohol that is ethanol in which one of the methyl hydrogens is replaced by a butoxy group. A high-boiling (171degreeC) colourless liquid, it is used as a solvent for paints and inks, as well as in some dry cleaning solutions.
CHEBI:17642	pentachlorophenol	biolink:SmallMoleculebiolink:MolecularEntitybiolink:ChemicalEntitybiolink:PhysicalEssencebiolink:ChemicalOrDrugOrTreatmentbiolink:ChemicalEntityOrGeneOrGeneProductbiolink:ChemicalEntityOrProteinOrPolypeptidebiolink:NamedThingbiolink:PhysicalEssenceOrOccurrent	CHEBI:17642UNII:D9BSU0SE4TPUBCHEM.COMPOUND:992CHEMBL.COMPOUND:CHEMBL75967MESH:D010416CAS:201-778-6CAS:87-86-5HMDB:HMDB0041974KEGG.COMPOUND:C02575INCHIKEY:IZUPBVBPLAPZRR-UHFFFAOYSA-NUMLS:C0030855	92.8	A  chlorophenol that is phenol substituted by 5 chloro groups.
CHEBI:207496	2-Furanmethanol	biolink:SmallMoleculebiolink:MolecularEntitybiolink:ChemicalEntitybiolink:PhysicalEssencebiolink:ChemicalOrDrugOrTreatmentbiolink:ChemicalEntityOrGeneOrGeneProductbiolink:ChemicalEntityOrProteinOrPolypeptidebiolink:NamedThingbiolink:PhysicalEssenceOrOccurrent	CHEBI:207496UNII:D582054MUHPUBCHEM.COMPOUND:7361CHEMBL.COMPOUND:CHEMBL308187MESH:C012986CAS:202-626-1CAS:93793-62-5CAS:98-00-0HMDB:HMDB0013742KEGG.COMPOUND:C20441INCHIKEY:XPFVYQJUAUNWIW-UHFFFAOYSA-NUMLS:C0060863	92.8	A furan bearing a hydroxymethyl substituent at the 2-position.
CHEBI:143726	N,N-bis(2-hydroxyethyl)dodecanamide	biolink:SmallMoleculebiolink:MolecularEntitybiolink:ChemicalEntitybiolink:PhysicalEssencebiolink:ChemicalOrDrugOrTreatmentbiolink:ChemicalEntityOrGeneOrGeneProductbiolink:ChemicalEntityOrProteinOrPolypeptidebiolink:NamedThingbiolink:PhysicalEssenceOrOccurrent	CHEBI:143726UNII:I29I2VHG38PUBCHEM.COMPOUND:8430CHEMBL.COMPOUND:CHEMBL1996872MESH:C052237CAS:120-40-1HMDB:HMDB0032358INCHIKEY:AOMUHOFOVNGZAN-UHFFFAOYSA-NUMLS:C0526161RXCUI:1363705	100.0	
CHEBI:28123	diethanolamine	biolink:SmallMoleculebiolink:MolecularEntitybiolink:ChemicalEntitybiolink:PhysicalEssencebiolink:ChemicalOrDrugOrTreatmentbiolink:ChemicalEntityOrGeneOrGeneProductbiolink:ChemicalEntityOrProteinOrPolypeptidebiolink:NamedThingbiolink:PhysicalEssenceOrOccurrent	CHEBI:28123UNII:AZE05TDV2VPUBCHEM.COMPOUND:8113CHEMBL.COMPOUND:CHEMBL119604MESH:C020283CAS:111-42-2CAS:203-868-0HMDB:HMDB0004437KEGG.COMPOUND:C06772INCHIKEY:ZBCBWPMODOFKDW-UHFFFAOYSA-NUMLS:C0057919RXCUI:1362911	95.4	A member of the class of ethanolamines that is ethanolamine having a N-hydroxyethyl substituent.
CHEBI:8412	Primidone	biolink:SmallMoleculebiolink:MolecularEntitybiolink:ChemicalEntitybiolink:PhysicalEssencebiolink:ChemicalOrDrugOrTreatmentbiolink:ChemicalEntityOrGeneOrGeneProductbiolink:ChemicalEntityOrProteinOrPolypeptidebiolink:NamedThingbiolink:PhysicalEssenceOrOccurrent	CHEBI:8412UNII:13AFD7670QPUBCHEM.COMPOUND:4909CHEMBL.COMPOUND:CHEMBL856DRUGBANK:DB00794MESH:D011324CAS:125-33-7CAS:204-737-0DrugCentral:2267GTOPDB:5338HMDB:HMDB0014932KEGG.COMPOUND:C07371INCHIKEY:DQMZLTXERSFNPB-UHFFFAOYSA-NUMLS:C0033148RXCUI:8691	95.4	A pyrimidone that is dihydropyrimidine-4,6(1H,5H)-dione substituted by an ethyl and a phenyl group at position 5. It is used as an  anticonvulsant for treatment of various types of seizures.
CHEBI:26911	oxolane	biolink:SmallMoleculebiolink:MolecularEntitybiolink:ChemicalEntitybiolink:PhysicalEssencebiolink:ChemicalOrDrugOrTreatmentbiolink:ChemicalEntityOrGeneOrGeneProductbiolink:ChemicalEntityOrProteinOrPolypeptidebiolink:NamedThingbiolink:PhysicalEssenceOrOccurrent	CHEBI:26911UNII:3N8FZZ6PY4PUBCHEM.COMPOUND:8028CHEMBL.COMPOUND:CHEMBL276521MESH:C018674CAS:109-99-9CAS:24979-97-3HMDB:HMDB0000246INCHIKEY:WYURNTSHIVDZCO-UHFFFAOYSA-NUMLS:C0076271	84.2	A cyclic ether that is butane in which one hydrogen from each methyl group is substituted by an oxygen.
CHEBI:91244	cobalt(2+) sulfate heptahydrate	biolink:MolecularMixturebiolink:ChemicalMixturebiolink:ChemicalEntitybiolink:PhysicalEssencebiolink:ChemicalOrDrugOrTreatmentbiolink:ChemicalEntityOrGeneOrGeneProductbiolink:ChemicalEntityOrProteinOrPolypeptidebiolink:NamedThingbiolink:PhysicalEssenceOrOccurrent	CHEBI:91244UNII:Y8N698ZE0TPUBCHEM.COMPOUND:61444CAS:10026-24-1KEGG.COMPOUND:C19215INCHIKEY:MEYVLGVRTYSQHI-UHFFFAOYSA-L	100.0	A hydrate that is the heptahydrate form of cobalt(2+) sulfate.
PATO:0001504	0001504	biolink:NamedThing			
CHEBI:16227	pyridine	biolink:SmallMoleculebiolink:MolecularEntitybiolink:ChemicalEntitybiolink:PhysicalEssencebiolink:ChemicalOrDrugOrTreatmentbiolink:ChemicalEntityOrGeneOrGeneProductbiolink:ChemicalEntityOrProteinOrPolypeptidebiolink:NamedThingbiolink:PhysicalEssenceOrOccurrent	CHEBI:16227UNII:NH9L3PP67SPUBCHEM.COMPOUND:1049CHEMBL.COMPOUND:CHEMBL266158MESH:C023666CAS:110-86-1CAS:203-809-9CAS:29761-81-7HMDB:HMDB0000926KEGG.COMPOUND:C00747INCHIKEY:JUJWROOIHBZHMG-UHFFFAOYSA-NUMLS:C0034251	81.0	An  azaarene comprising a benzene core in which one -CH group is replaced by a nitrogen atom. It is the parent compound of the class pyridines.
CHEBI:39481	chloroprene	biolink:SmallMoleculebiolink:MolecularEntitybiolink:ChemicalEntitybiolink:PhysicalEssencebiolink:ChemicalOrDrugOrTreatmentbiolink:ChemicalEntityOrGeneOrGeneProductbiolink:ChemicalEntityOrProteinOrPolypeptidebiolink:NamedThingbiolink:PhysicalEssenceOrOccurrent	CHEBI:39481UNII:42L93DWV3APUBCHEM.COMPOUND:31369CHEMBL.COMPOUND:CHEMBL555660MESH:D002737CAS:126-99-8HMDB:HMDB0250123KEGG.COMPOUND:C19208INCHIKEY:YACLQRRMGMJLJV-UHFFFAOYSA-NUMLS:C0008267	95.4	
CHEBI:16101	ethylbenzene	biolink:SmallMoleculebiolink:MolecularEntitybiolink:ChemicalEntitybiolink:PhysicalEssencebiolink:ChemicalOrDrugOrTreatmentbiolink:ChemicalEntityOrGeneOrGeneProductbiolink:ChemicalEntityOrProteinOrPolypeptidebiolink:NamedThingbiolink:PhysicalEssenceOrOccurrent	CHEBI:16101UNII:L5I45M5G0OPUBCHEM.COMPOUND:7500CHEMBL.COMPOUND:CHEMBL371561MESH:C004912CAS:100-41-4CAS:202-849-4HMDB:HMDB0059905KEGG.COMPOUND:C07111INCHIKEY:YNQLUTRBYVCPMQ-UHFFFAOYSA-NUMLS:C0059792RXCUI:1540523	89.4	An  alkylbenzene carrying an ethyl substituent. It is a constituent of coal tar and petroleum.
CHEBI:34914	Phenolphthalein	biolink:SmallMoleculebiolink:MolecularEntitybiolink:ChemicalEntitybiolink:PhysicalEssencebiolink:ChemicalOrDrugOrTreatmentbiolink:ChemicalEntityOrGeneOrGeneProductbiolink:ChemicalEntityOrProteinOrPolypeptidebiolink:NamedThingbiolink:PhysicalEssenceOrOccurrent	CHEBI:34914UNII:6QK969R2IFPUBCHEM.COMPOUND:4764CHEMBL.COMPOUND:CHEMBL63857DRUGBANK:DB04824MESH:D020113CAS:201-004-7CAS:201-384-4CAS:77-09-8DrugCentral:2135HMDB:HMDB0256412KEGG.COMPOUND:C14286INCHIKEY:KJFMBFZCATUALV-UHFFFAOYSA-NUMLS:C0600489RXCUI:155122	95.4	
MPATH:377	377	biolink:NamedThing			
CHEBI:30627	Molybdenum trioxide	biolink:SmallMoleculebiolink:MolecularEntitybiolink:ChemicalEntitybiolink:PhysicalEssencebiolink:ChemicalOrDrugOrTreatmentbiolink:ChemicalEntityOrGeneOrGeneProductbiolink:ChemicalEntityOrProteinOrPolypeptidebiolink:NamedThingbiolink:PhysicalEssenceOrOccurrent	CHEBI:30627UNII:22FQ3F03YSPUBCHEM.COMPOUND:14802DRUGBANK:DB15924MESH:C082290CAS:11098-99-0CAS:1313-27-5CAS:215-204-7CAS:234-321-4CAS:235-026-3INCHIKEY:JKQOBWVOAYFWKG-UHFFFAOYSA-NUMLS:C0660191	95.4	
CHEBI:34595	Butylbenzyl phthalate	biolink:SmallMoleculebiolink:MolecularEntitybiolink:ChemicalEntitybiolink:PhysicalEssencebiolink:ChemicalOrDrugOrTreatmentbiolink:ChemicalEntityOrGeneOrGeneProductbiolink:ChemicalEntityOrProteinOrPolypeptidebiolink:NamedThingbiolink:PhysicalEssenceOrOccurrent	CHEBI:34595UNII:YPC4PJX59MPUBCHEM.COMPOUND:2347CHEMBL.COMPOUND:CHEMBL1450327MESH:C027561CAS:85-68-7HMDB:HMDB0249068KEGG.COMPOUND:C14211INCHIKEY:IRIAEXORFWYRCZ-UHFFFAOYSA-NUMLS:C0054293	100.0	
PUBCHEM.COMPOUND:5339	Sulfasalazine	biolink:SmallMoleculebiolink:MolecularEntitybiolink:ChemicalEntitybiolink:PhysicalEssencebiolink:ChemicalOrDrugOrTreatmentbiolink:ChemicalEntityOrGeneOrGeneProductbiolink:ChemicalEntityOrProteinOrPolypeptidebiolink:NamedThingbiolink:PhysicalEssenceOrOccurrent	PUBCHEM.COMPOUND:5339CHEMBL.COMPOUND:CHEMBL1206016CAS:599-79-1CAS:737754-28-8INCHIKEY:NCEXYHBECQHGNR-UHFFFAOYSA-N		
MPATH:232	232	biolink:NamedThing			
MPATH:233	233	biolink:NamedThing			
MPATH:234	234	biolink:NamedThing			
MONDO:0040679	urothelial carcinoma	biolink:Diseasebiolink:DiseaseOrPhenotypicFeaturebiolink:BiologicalEntitybiolink:ThingWithTaxonbiolink:NamedThing	MONDO:0040679EFO:0008528UMLS:C2145472MEDDRA:10064467NCIT:C4030medgen:760495	65.7	A malignant neoplasm derived from the transitional epithelium of the urinary tract (urinary bladder, ureter, urethra, or renal pelvis). It is frequently papillary.
UNII:C3574QBZ3Y	NICKEL OXIDE	biolink:MolecularMixturebiolink:ChemicalMixturebiolink:ChemicalEntitybiolink:PhysicalEssencebiolink:ChemicalOrDrugOrTreatmentbiolink:ChemicalEntityOrGeneOrGeneProductbiolink:ChemicalEntityOrProteinOrPolypeptidebiolink:NamedThingbiolink:PhysicalEssenceOrOccurrent	UNII:C3574QBZ3YPUBCHEM.COMPOUND:179931CAS:12137-09-6INCHIKEY:KVAWBJDCAFOHRG-UHFFFAOYSA-N		
CHEBI:38866	tetrafluoroethene	biolink:SmallMoleculebiolink:MolecularEntitybiolink:ChemicalEntitybiolink:PhysicalEssencebiolink:ChemicalOrDrugOrTreatmentbiolink:ChemicalEntityOrGeneOrGeneProductbiolink:ChemicalEntityOrProteinOrPolypeptidebiolink:NamedThingbiolink:PhysicalEssenceOrOccurrent	CHEBI:38866UNII:OMW63Z518SPUBCHEM.COMPOUND:8301CHEMBL.COMPOUND:CHEMBL541730MESH:C015531CAS:116-14-3CAS:204-126-9HMDB:HMDB0258891KEGG.COMPOUND:C19299INCHIKEY:BFKJFAAPBSQJPD-UHFFFAOYSA-NUMLS:C0076258	95.4	
CHEBI:46643	isobutyl nitrite	biolink:SmallMoleculebiolink:MolecularEntitybiolink:ChemicalEntitybiolink:PhysicalEssencebiolink:ChemicalOrDrugOrTreatmentbiolink:ChemicalEntityOrGeneOrGeneProductbiolink:ChemicalEntityOrProteinOrPolypeptidebiolink:NamedThingbiolink:PhysicalEssenceOrOccurrent	CHEBI:46643UNII:GW9WAB6QOMPUBCHEM.COMPOUND:10958CHEMBL.COMPOUND:CHEMBL1526886MESH:C018086CAS:208-819-7CAS:542-56-3HMDB:HMDB0253612INCHIKEY:APNSGVMLAYLYCT-UHFFFAOYSA-NUMLS:C0063927	100.0	
CHEBI:7823	Oxazepam	biolink:SmallMoleculebiolink:MolecularEntitybiolink:ChemicalEntitybiolink:PhysicalEssencebiolink:ChemicalOrDrugOrTreatmentbiolink:ChemicalEntityOrGeneOrGeneProductbiolink:ChemicalEntityOrProteinOrPolypeptidebiolink:NamedThingbiolink:PhysicalEssenceOrOccurrent	CHEBI:7823UNII:6GOW6DWN2APUBCHEM.COMPOUND:4616CHEMBL.COMPOUND:CHEMBL568DRUGBANK:DB00842MESH:D010076CAS:210-076-9CAS:52432-54-9CAS:604-75-1DrugCentral:2015GTOPDB:7253HMDB:HMDB0014980KEGG.COMPOUND:C07359INCHIKEY:ADIMAYPTOBDMTL-UHFFFAOYSA-NUMLS:C0029997RXCUI:7781	95.4	A 1,4-benzodiazepinone that is 1,3-dihydro-2H-1,4-benzodiazepin-2-one substituted by a chloro group at position 7, a hydroxy group at position 3 and phenyl group at position 5.
CHEBI:262350	4-nitrobenzoic acid	biolink:SmallMoleculebiolink:MolecularEntitybiolink:ChemicalEntitybiolink:PhysicalEssencebiolink:ChemicalOrDrugOrTreatmentbiolink:ChemicalEntityOrGeneOrGeneProductbiolink:ChemicalEntityOrProteinOrPolypeptidebiolink:NamedThingbiolink:PhysicalEssenceOrOccurrent	CHEBI:262350UNII:G83NWR61OWPUBCHEM.COMPOUND:6108CHEMBL.COMPOUND:CHEMBL101263MESH:C008629CAS:200-526-2CAS:62-23-7HMDB:HMDB0246532KEGG.COMPOUND:C18625INCHIKEY:OTLNPYWUJOZPPA-UHFFFAOYSA-NUMLS:C0048561	90.9	A nitrobenzoic acid having the nitro group at the 4-position.
CHEBI:25812	Ozone	biolink:SmallMoleculebiolink:MolecularEntitybiolink:ChemicalEntitybiolink:PhysicalEssencebiolink:ChemicalOrDrugOrTreatmentbiolink:ChemicalEntityOrGeneOrGeneProductbiolink:ChemicalEntityOrProteinOrPolypeptidebiolink:NamedThingbiolink:PhysicalEssenceOrOccurrent	CHEBI:25812UNII:66H7ZZK23NPUBCHEM.COMPOUND:24823CHEMBL.COMPOUND:CHEMBL2447938DRUGBANK:DB12510MESH:D010126CAS:10028-15-6CAS:233-069-2INCHIKEY:CBENFWSGALASAD-UHFFFAOYSA-NUMLS:C0030106RXCUI:2289011	87.2	An elemental molecule with formula O3. An explosive, pale blue gas (b.p. -112degreeC) that has a characteristic, pungent odour, it is continuously produced in the upper atmosphere by the action of solar ultraviolet radiation on atmospheric oxygen. It is an antimicrobial agent used in the production of bottled water, as well as in the treatment of meat, poultry and other foodstuffs.
CHEBI:31836	Concerta	biolink:MolecularMixturebiolink:ChemicalMixturebiolink:ChemicalEntitybiolink:PhysicalEssencebiolink:ChemicalOrDrugOrTreatmentbiolink:ChemicalEntityOrGeneOrGeneProductbiolink:ChemicalEntityOrProteinOrPolypeptidebiolink:NamedThingbiolink:PhysicalEssenceOrOccurrent	CHEBI:31836PUBCHEM.COMPOUND:10945497CHEMBL.COMPOUND:CHEMBL1722INCHIKEY:JUMYIBMBTDDLNG-UHFFFAOYSA-N	100.0	
CHEBI:45895	tert-butanol	biolink:SmallMoleculebiolink:MolecularEntitybiolink:ChemicalEntitybiolink:PhysicalEssencebiolink:ChemicalOrDrugOrTreatmentbiolink:ChemicalEntityOrGeneOrGeneProductbiolink:ChemicalEntityOrProteinOrPolypeptidebiolink:NamedThingbiolink:PhysicalEssenceOrOccurrent	CHEBI:45895UNII:MD83SFE959PUBCHEM.COMPOUND:6386CHEMBL.COMPOUND:CHEMBL16502DRUGBANK:DB03900MESH:D020002CAS:25-65-0CAS:75-65-0HMDB:HMDB0031456INCHIKEY:DKGAVHZHDRPRBM-UHFFFAOYSA-NUMLS:C0076141RXCUI:1363061	74.8	A tertiary alcohol alcohol that is isobutane substituted by a hydroxy group at position 2.
CHEBI:39478	buta-1,3-diene	biolink:SmallMoleculebiolink:MolecularEntitybiolink:ChemicalEntitybiolink:PhysicalEssencebiolink:ChemicalOrDrugOrTreatmentbiolink:ChemicalEntityOrGeneOrGeneProductbiolink:ChemicalEntityOrProteinOrPolypeptidebiolink:NamedThingbiolink:PhysicalEssenceOrOccurrent	CHEBI:39478UNII:JSD5FGP5VDPUBCHEM.COMPOUND:7845CHEMBL.COMPOUND:CHEMBL537970MESH:C031763CAS:106-99-0CAS:130983-70-9CAS:1983-06-8CAS:203-450-8CAS:25339-57-5CAS:26952-74-9HMDB:HMDB0041792KEGG.COMPOUND:C16450INCHIKEY:KAKZBPTYRLMSJV-UHFFFAOYSA-NUMLS:C0043902RXCUI:2548035	87.2	A  butadiene with unsaturation at positions 1 and 3.
MPATH:249	249	biolink:NamedThing			
CHEBI:52051	benzyl acetate	biolink:SmallMoleculebiolink:MolecularEntitybiolink:ChemicalEntitybiolink:PhysicalEssencebiolink:ChemicalOrDrugOrTreatmentbiolink:ChemicalEntityOrGeneOrGeneProductbiolink:ChemicalEntityOrProteinOrPolypeptidebiolink:NamedThingbiolink:PhysicalEssenceOrOccurrent	CHEBI:52051UNII:0ECG3V79ZJPUBCHEM.COMPOUND:8785CHEMBL.COMPOUND:CHEMBL1233714MESH:C046412CAS:140-11-4CAS:205-399-7HMDB:HMDB0031310KEGG.COMPOUND:C15513INCHIKEY:QUKGYYKBILRGFE-UHFFFAOYSA-NUMLS:C0053286RXCUI:1487188	95.4	The acetate ester of benzyl alcohol.
INCHIKEY:GWEZPAIPHHUMTI-UHFFFAOYSA-F	GWEZPAIPHHUMTI-UHFFFAOYSA-F	biolink:NamedThing			
CHEBI:16151	DIHYDROCOUMARIN	biolink:SmallMoleculebiolink:MolecularEntitybiolink:ChemicalEntitybiolink:PhysicalEssencebiolink:ChemicalOrDrugOrTreatmentbiolink:ChemicalEntityOrGeneOrGeneProductbiolink:ChemicalEntityOrProteinOrPolypeptidebiolink:NamedThingbiolink:PhysicalEssenceOrOccurrent	CHEBI:16151UNII:NM5K1Y1BT2PUBCHEM.COMPOUND:660CHEMBL.COMPOUND:CHEMBL89306MESH:C026308CAS:119-84-6HMDB:HMDB0036626KEGG.COMPOUND:C02274INCHIKEY:VMUXSMXIQBNMGZ-UHFFFAOYSA-NUMLS:C0046963	90.9	A chromanone that is the 3,4-dihydro derivative of coumarin.
CHEBI:28794	Coumarin	biolink:SmallMoleculebiolink:MolecularEntitybiolink:ChemicalEntitybiolink:PhysicalEssencebiolink:ChemicalOrDrugOrTreatmentbiolink:ChemicalEntityOrGeneOrGeneProductbiolink:ChemicalEntityOrProteinOrPolypeptidebiolink:NamedThingbiolink:PhysicalEssenceOrOccurrent	CHEBI:28794UNII:A4VZ22K1WTPUBCHEM.COMPOUND:323CHEMBL.COMPOUND:CHEMBL6466DRUGBANK:DB04665MESH:C030123CAS:103802-83-1CAS:202-086-7CAS:91-64-5DrugCentral:738HMDB:HMDB0001218KEGG.COMPOUND:C05851INCHIKEY:ZYGHJZDHTFUPRJ-UHFFFAOYSA-NUMLS:C0010206RXCUI:2898	83.1	A chromenone having the keto group located at the 2-position.
CHEBI:9671	Triamterene	biolink:SmallMoleculebiolink:MolecularEntitybiolink:ChemicalEntitybiolink:PhysicalEssencebiolink:ChemicalOrDrugOrTreatmentbiolink:ChemicalEntityOrGeneOrGeneProductbiolink:ChemicalEntityOrProteinOrPolypeptidebiolink:NamedThingbiolink:PhysicalEssenceOrOccurrent	CHEBI:9671UNII:WS821Z52LQPUBCHEM.COMPOUND:5546CHEMBL.COMPOUND:CHEMBL585DRUGBANK:DB00384MESH:D014223CAS:206-904-3CAS:396-01-0DrugCentral:2728GTOPDB:4329HMDB:HMDB0001940INCHIKEY:FNYLWPVRPXGIIP-UHFFFAOYSA-NUMLS:C0040869RXCUI:10763	100.0	Pteridine substituted at positions 2, 4 and 7 with amino groups and at position 6 with a phenyl group. A sodium channel blocker, it is used as a diuretic in the treatment of hypertension and oedema.
CHEBI:48722	2-nitroanisole	biolink:SmallMoleculebiolink:MolecularEntitybiolink:ChemicalEntitybiolink:PhysicalEssencebiolink:ChemicalOrDrugOrTreatmentbiolink:ChemicalEntityOrGeneOrGeneProductbiolink:ChemicalEntityOrProteinOrPolypeptidebiolink:NamedThingbiolink:PhysicalEssenceOrOccurrent	CHEBI:48722UNII:ZRE7HLZ17KPUBCHEM.COMPOUND:7048CHEMBL.COMPOUND:CHEMBL166415MESH:C005328CAS:29191-53-5CAS:91-23-6KEGG.COMPOUND:C19270INCHIKEY:CFBYEGUGFPZCNF-UHFFFAOYSA-NUMLS:C0046435	95.4	A member of the class of 2-nitroanisoles that is anisole in which one of the hydrogens ortho to the methoxy group is replaced by a nitro group.
CHEBI:232435	pentachloroanisole	biolink:SmallMoleculebiolink:MolecularEntitybiolink:ChemicalEntitybiolink:PhysicalEssencebiolink:ChemicalOrDrugOrTreatmentbiolink:ChemicalEntityOrGeneOrGeneProductbiolink:ChemicalEntityOrProteinOrPolypeptidebiolink:NamedThingbiolink:PhysicalEssenceOrOccurrent	CHEBI:232435UNII:14D125MH3WPUBCHEM.COMPOUND:15767CHEMBL.COMPOUND:CHEMBL3182755MESH:C015421CAS:1825-21-4CAS:625-770-0HMDB:HMDB0256245INCHIKEY:BBABSCYTNHOKOG-UHFFFAOYSA-NUMLS:C0070265	100.0	
CHEBI:31823	Mercuric chloride	biolink:SmallMoleculebiolink:MolecularEntitybiolink:ChemicalEntitybiolink:PhysicalEssencebiolink:ChemicalOrDrugOrTreatmentbiolink:ChemicalEntityOrGeneOrGeneProductbiolink:ChemicalEntityOrProteinOrPolypeptidebiolink:NamedThingbiolink:PhysicalEssenceOrOccurrent	CHEBI:31823UNII:53GH7MZT1RPUBCHEM.COMPOUND:24085CHEMBL.COMPOUND:CHEMBL1374360DRUGBANK:DB13765MESH:D008627CAS:231-299-8CAS:231-430-9CAS:7487-94-7DrugCentral:4787KEGG.COMPOUND:C13377INCHIKEY:LWJROJCJINYWOX-UHFFFAOYSA-LUMLS:C0025417RXCUI:1311634	100.0	A mercury coordination entity made up of linear triatomic molecules in which a mercury atom is bonded to two chlorines. Water-soluble, it is highly toxic. Once used in a wide variety of applications, including preserving wood and anatomical specimens, embalming and disinfecting, as an intensifier in photography, as a mordant for rabbit and beaver furs, and freeing gold from lead, its use has markedly declined as less toxic alternatives have been developed.
PUBCHEM.COMPOUND:17047	toluidine red	biolink:SmallMoleculebiolink:MolecularEntitybiolink:ChemicalEntitybiolink:PhysicalEssencebiolink:ChemicalOrDrugOrTreatmentbiolink:ChemicalEntityOrGeneOrGeneProductbiolink:ChemicalEntityOrProteinOrPolypeptidebiolink:NamedThingbiolink:PhysicalEssenceOrOccurrent	PUBCHEM.COMPOUND:17047MESH:C037318CAS:2425-85-6INCHIKEY:ZLFVRXUOSPRRKQ-UHFFFAOYSA-NUMLS:C0076810		
CHEMBL.COMPOUND:CHEMBL3188178	HNBQFKZSMFFZQY-UHFFFAOYSA-L	biolink:MolecularMixturebiolink:ChemicalMixturebiolink:ChemicalEntitybiolink:PhysicalEssencebiolink:ChemicalOrDrugOrTreatmentbiolink:ChemicalEntityOrGeneOrGeneProductbiolink:ChemicalEntityOrProteinOrPolypeptidebiolink:NamedThingbiolink:PhysicalEssenceOrOccurrent	CHEMBL.COMPOUND:CHEMBL3188178INCHIKEY:HNBQFKZSMFFZQY-UHFFFAOYSA-L		
MPATH:218	218	biolink:NamedThing			
CHEBI:8107	Phenytoin	biolink:SmallMoleculebiolink:MolecularEntitybiolink:ChemicalEntitybiolink:PhysicalEssencebiolink:ChemicalOrDrugOrTreatmentbiolink:ChemicalEntityOrGeneOrGeneProductbiolink:ChemicalEntityOrProteinOrPolypeptidebiolink:NamedThingbiolink:PhysicalEssenceOrOccurrent	CHEBI:8107UNII:6158TKW0C5PUBCHEM.COMPOUND:1775CHEMBL.COMPOUND:CHEMBL16DRUGBANK:DB00252MESH:D010672CAS:200-328-6CAS:57-41-0DrugCentral:2152GTOPDB:2624HMDB:HMDB0014397KEGG.COMPOUND:C07443INCHIKEY:CXOFVDLJLONNDW-UHFFFAOYSA-NUMLS:C0031507RXCUI:8183	95.4	A imidazolidine-2,4-dione that consists of hydantoin bearing two phenyl substituents at position 5.
CHEBI:35559	furan	biolink:SmallMoleculebiolink:MolecularEntitybiolink:ChemicalEntitybiolink:PhysicalEssencebiolink:ChemicalOrDrugOrTreatmentbiolink:ChemicalEntityOrGeneOrGeneProductbiolink:ChemicalEntityOrProteinOrPolypeptidebiolink:NamedThingbiolink:PhysicalEssenceOrOccurrent	CHEBI:35559UNII:UC0XV6A8N9PUBCHEM.COMPOUND:8029CHEMBL.COMPOUND:CHEMBL278980MESH:C039281CAS:110-00-9CAS:203-727-3CAS:25067-54-3HMDB:HMDB0013785KEGG.COMPOUND:C14275INCHIKEY:YLQBMQCUIZJEEH-UHFFFAOYSA-NUMLS:C0060850	84.2	A monocyclic heteroarene with a structure consisting of a 5-membered ring containing four carbons and one oxygen, with formula C4H4O. It is a toxic, flammable, low-boiling (31degreeC) colourless liquid.
UNII:C0YBW1OA2I	2,3-dibromopropanol	biolink:SmallMoleculebiolink:MolecularEntitybiolink:ChemicalEntitybiolink:PhysicalEssencebiolink:ChemicalOrDrugOrTreatmentbiolink:ChemicalEntityOrGeneOrGeneProductbiolink:ChemicalEntityOrProteinOrPolypeptidebiolink:NamedThingbiolink:PhysicalEssenceOrOccurrent	UNII:C0YBW1OA2IPUBCHEM.COMPOUND:7281CHEMBL.COMPOUND:CHEMBL1403428MESH:C016369CAS:96-13-9KEGG.COMPOUND:C19224INCHIKEY:QWVCIORZLNBIIC-UHFFFAOYSA-NUMLS:C0045359		
INCHIKEY:OLSOUGWNONTDCK-UHFFFAOYSA-J	OLSOUGWNONTDCK-UHFFFAOYSA-J	biolink:NamedThing			
CHEBI:8426	Probenecid	biolink:SmallMoleculebiolink:MolecularEntitybiolink:ChemicalEntitybiolink:PhysicalEssencebiolink:ChemicalOrDrugOrTreatmentbiolink:ChemicalEntityOrGeneOrGeneProductbiolink:ChemicalEntityOrProteinOrPolypeptidebiolink:NamedThingbiolink:PhysicalEssenceOrOccurrent	CHEBI:8426UNII:PO572Z7917PUBCHEM.COMPOUND:4911CHEMBL.COMPOUND:CHEMBL897DRUGBANK:DB01032MESH:D011339CAS:200-344-3CAS:57-66-9DrugCentral:2268GTOPDB:4357HMDB:HMDB0015166KEGG.COMPOUND:C07372INCHIKEY:DBABZHXKTCFAPX-UHFFFAOYSA-NUMLS:C0033209RXCUI:8698	100.0	A sulfonamide in which the nitrogen of 4-sulfamoylbenzoic acid is substituted with two propyl groups.
UNII:5MSK350KD8	O-TOLIDINE DIHYDROCHLORIDE	biolink:MolecularMixturebiolink:ChemicalMixturebiolink:ChemicalEntitybiolink:PhysicalEssencebiolink:ChemicalOrDrugOrTreatmentbiolink:ChemicalEntityOrGeneOrGeneProductbiolink:ChemicalEntityOrProteinOrPolypeptidebiolink:NamedThingbiolink:PhysicalEssenceOrOccurrent	UNII:5MSK350KD8CHEMBL.COMPOUND:CHEMBL1863800INCHIKEY:LUKPNZHXJRJBAN-UHFFFAOYSA-N		
CHEBI:34750	Ethylenethiourea	biolink:SmallMoleculebiolink:MolecularEntitybiolink:ChemicalEntitybiolink:PhysicalEssencebiolink:ChemicalOrDrugOrTreatmentbiolink:ChemicalEntityOrGeneOrGeneProductbiolink:ChemicalEntityOrProteinOrPolypeptidebiolink:NamedThingbiolink:PhysicalEssenceOrOccurrent	CHEBI:34750UNII:24FOJ4N18SPUBCHEM.COMPOUND:2723650CHEMBL.COMPOUND:CHEMBL11860MESH:D005031CAS:12261-94-8CAS:96-45-7HMDB:HMDB0245172KEGG.COMPOUND:C14398INCHIKEY:PDQAZBWRQCGBEV-UHFFFAOYSA-NUMLS:C0015097	95.4	
CHEBI:82372	Tetranitromethane	biolink:SmallMoleculebiolink:MolecularEntitybiolink:ChemicalEntitybiolink:PhysicalEssencebiolink:ChemicalOrDrugOrTreatmentbiolink:ChemicalEntityOrGeneOrGeneProductbiolink:ChemicalEntityOrProteinOrPolypeptidebiolink:NamedThingbiolink:PhysicalEssenceOrOccurrent	CHEBI:82372UNII:K1G7CKU98FPUBCHEM.COMPOUND:10509CHEMBL.COMPOUND:CHEMBL261663MESH:D013774CAS:208-094-7CAS:509-14-8HMDB:HMDB0258923KEGG.COMPOUND:C19300INCHIKEY:NYTOUQBROMCLBJ-UHFFFAOYSA-NUMLS:C0039694	95.4	
CHEBI:82304	1-Amino-2,4-dibromoanthraquinone	biolink:SmallMoleculebiolink:MolecularEntitybiolink:ChemicalEntitybiolink:PhysicalEssencebiolink:ChemicalOrDrugOrTreatmentbiolink:ChemicalEntityOrGeneOrGeneProductbiolink:ChemicalEntityOrProteinOrPolypeptidebiolink:NamedThingbiolink:PhysicalEssenceOrOccurrent	CHEBI:82304UNII:RF75O3IKOZPUBCHEM.COMPOUND:6681CHEMBL.COMPOUND:CHEMBL559749MESH:C047777CAS:201-354-0CAS:81-49-2KEGG.COMPOUND:C19211INCHIKEY:ZINRVIQBCHAZMM-UHFFFAOYSA-NUMLS:C0626387	95.4	
CHEBI:34768	Furfural	biolink:SmallMoleculebiolink:MolecularEntitybiolink:ChemicalEntitybiolink:PhysicalEssencebiolink:ChemicalOrDrugOrTreatmentbiolink:ChemicalEntityOrGeneOrGeneProductbiolink:ChemicalEntityOrProteinOrPolypeptidebiolink:NamedThingbiolink:PhysicalEssenceOrOccurrent	CHEBI:34768UNII:DJ1HGI319PPUBCHEM.COMPOUND:7362CHEMBL.COMPOUND:CHEMBL189362DRUGBANK:DB16856MESH:D005662CAS:202-627-7CAS:98-01-1HMDB:HMDB0032914KEGG.COMPOUND:C14279INCHIKEY:HYBBIBNJHNGZAN-UHFFFAOYSA-NUMLS:C0016849	90.9	An aldehyde that is furan with the hydrogen at position 2 substituted by a formyl group.
CHEBI:17169	benzaldehyde	biolink:SmallMoleculebiolink:MolecularEntitybiolink:ChemicalEntitybiolink:PhysicalEssencebiolink:ChemicalOrDrugOrTreatmentbiolink:ChemicalEntityOrGeneOrGeneProductbiolink:ChemicalEntityOrProteinOrPolypeptidebiolink:NamedThingbiolink:PhysicalEssenceOrOccurrent	CHEBI:17169UNII:TA269SD04TPUBCHEM.COMPOUND:240CHEMBL.COMPOUND:CHEMBL15972MESH:C032175CAS:100-52-7CAS:202-860-4CAS:55279-75-9HMDB:HMDB0006115KEGG.COMPOUND:C00193C00261INCHIKEY:HUMNYLRZRPPJDN-UHFFFAOYSA-NUMLS:C0005023RXCUI:1314334	87.2	An arenecarbaldehyde that consists of benzene bearing a single formyl substituent; the simplest aromatic aldehyde and parent of the class of benzaldehydes.
UNII:HDC0791894	allyl glycidyl ether	biolink:SmallMoleculebiolink:MolecularEntitybiolink:ChemicalEntitybiolink:PhysicalEssencebiolink:ChemicalOrDrugOrTreatmentbiolink:ChemicalEntityOrGeneOrGeneProductbiolink:ChemicalEntityOrProteinOrPolypeptidebiolink:NamedThingbiolink:PhysicalEssenceOrOccurrent	UNII:HDC0791894PUBCHEM.COMPOUND:7838CHEMBL.COMPOUND:CHEMBL1528174MESH:C054361CAS:106-92-3CAS:90907-93-0CAS:95043-56-4HMDB:HMDB0248167INCHIKEY:LSWYGACWGAICNM-UHFFFAOYSA-NUMLS:C0208726		
CHEBI:30966	glycidol	biolink:SmallMoleculebiolink:MolecularEntitybiolink:ChemicalEntitybiolink:PhysicalEssencebiolink:ChemicalOrDrugOrTreatmentbiolink:ChemicalEntityOrGeneOrGeneProductbiolink:ChemicalEntityOrProteinOrPolypeptidebiolink:NamedThingbiolink:PhysicalEssenceOrOccurrent	CHEBI:30966UNII:S54CF1DV9APUBCHEM.COMPOUND:11164CHEMBL.COMPOUND:CHEMBL1530150MESH:C004312CAS:209-128-3CAS:404-660-4CAS:556-52-5HMDB:HMDB0252861KEGG.COMPOUND:C10920INCHIKEY:CTKINSOISVBQLD-UHFFFAOYSA-NUMLS:C0061587	87.2	
MONDO:0005059	leukemia	biolink:Diseasebiolink:DiseaseOrPhenotypicFeaturebiolink:BiologicalEntitybiolink:ThingWithTaxonbiolink:NamedThing	MONDO:0005059DOID:1240EFO:0000565UMLS:C0023418MESH:D007938MEDDRA:10024288MEDDRA:10024312MEDDRA:10024314MEDDRA:10024323MEDDRA:10024324MEDDRA:10024329MEDDRA:10024351MEDDRA:10024352MEDDRA:10045991MEDDRA:10045992MEDDRA:10045994MEDDRA:10060430MEDDRA:10060500NCIT:C3161SNOMEDCT:1162768007SNOMEDCT:87163000SNOMEDCT:93143009medgen:9725ICD10:C95.90ICD9:208HP:0001909	55.8	A malignant (clonal) hematologic disorder, involving hematopoietic stem cells and characterized by the presence of primitive or atypical myeloid or lymphoid cells in the bone marrow and the blood. Leukemias are classified as acute or chronic based on the degree of cellular differentiation and the predominant cell type present. Leukemia is usually associated with anemia, fever, hemorrhagic episodes, and splenomegaly. Common leukemias include acute myeloid leukemia, chronic myelogenous leukemia, acute lymphoblastic or precursor lymphoblastic leukemia, and chronic lymphocytic leukemia. Treatment is vital to patient survival; untreated, the natural course of acute leukemias is normally measured in weeks or months, while that of chronic leukemias is more often measured in months or years.
UNII:QV96QA6UKK	O-DIANISIDINE DIHYDROCHLORIDE	biolink:MolecularMixturebiolink:ChemicalMixturebiolink:ChemicalEntitybiolink:PhysicalEssencebiolink:ChemicalOrDrugOrTreatmentbiolink:ChemicalEntityOrGeneOrGeneProductbiolink:ChemicalEntityOrProteinOrPolypeptidebiolink:NamedThingbiolink:PhysicalEssenceOrOccurrent	UNII:QV96QA6UKKCHEMBL.COMPOUND:CHEMBL1868992INCHIKEY:UXTIAFYTYOEQHV-UHFFFAOYSA-N		
MONDO:0005070	neoplasm	biolink:Diseasebiolink:DiseaseOrPhenotypicFeaturebiolink:BiologicalEntitybiolink:ThingWithTaxonbiolink:NamedThing	MONDO:0005070DOID:14566EFO:0000616UMLS:C0027651UMLS:C4732738UMLS:CN236628MESH:D009369MEDDRA:10028980MEDDRA:10029000MEDDRA:10029104MEDDRA:10084712MEDDRA:10084713NCIT:C3262SNOMEDCT:108369006SNOMEDCT:55342001medgen:10294HP:0002664	35.9	A benign or malignant tissue growth resulting from uncontrolled cell proliferation. Benign neoplastic cells resemble normal cells without exhibiting significant cytologic atypia, while malignant cells exhibit overt signs such as dysplastic features, atypical mitotic figures, necrosis, nuclear pleomorphism, and anaplasia. Representative examples of benign neoplasms include papillomas, cystadenomas, and lipomas; malignant neoplasms include carcinomas, sarcomas, lymphomas, and leukemias.
CHEBI:35260	Benzofuran	biolink:SmallMoleculebiolink:MolecularEntitybiolink:ChemicalEntitybiolink:PhysicalEssencebiolink:ChemicalOrDrugOrTreatmentbiolink:ChemicalEntityOrGeneOrGeneProductbiolink:ChemicalEntityOrProteinOrPolypeptidebiolink:NamedThingbiolink:PhysicalEssenceOrOccurrent	CHEBI:35260UNII:LK6946W774PUBCHEM.COMPOUND:9223CHEMBL.COMPOUND:CHEMBL363614DRUGBANK:DB04179MESH:C105430CAS:205-982-6CAS:271-89-6HMDB:HMDB0032929KEGG.COMPOUND:C14512INCHIKEY:IANQTJSKSUMEQM-UHFFFAOYSA-NUMLS:C0537916	81.7	A benzofuran consisting of fused benzene and furan rings. It is the parent compound of the class of 1-benzofurans.
CHEBI:100147	Nalidixic acid	biolink:SmallMoleculebiolink:MolecularEntitybiolink:ChemicalEntitybiolink:PhysicalEssencebiolink:ChemicalOrDrugOrTreatmentbiolink:ChemicalEntityOrGeneOrGeneProductbiolink:ChemicalEntityOrProteinOrPolypeptidebiolink:NamedThingbiolink:PhysicalEssenceOrOccurrent	CHEBI:100147UNII:3B91HWA56MPUBCHEM.COMPOUND:4421CHEMBL.COMPOUND:CHEMBL5DRUGBANK:DB00779MESH:D009268CAS:206-864-7CAS:389-08-2DrugCentral:1875GTOPDB:12773HMDB:HMDB0014917KEGG.COMPOUND:C05079INCHIKEY:MHWLWQUZZRMNGJ-UHFFFAOYSA-NUMLS:C0027353RXCUI:7240	92.8	A monocarboxylic acid comprising 1,8-naphthyridin-4-one substituted by carboxylic acid, ethyl and methyl groups at positions 3, 1, and 7, respectively. An orally administered antibacterial, it is used in the treatment of lower urinary-tract infections due to Gram-negative bacteria, including the majority of E. coli, Enterobacter, Klebsiella, and Proteus species.
CHEBI:48574	Phenylbutazone	biolink:SmallMoleculebiolink:MolecularEntitybiolink:ChemicalEntitybiolink:PhysicalEssencebiolink:ChemicalOrDrugOrTreatmentbiolink:ChemicalEntityOrGeneOrGeneProductbiolink:ChemicalEntityOrProteinOrPolypeptidebiolink:NamedThingbiolink:PhysicalEssenceOrOccurrent	CHEBI:48574UNII:GN5P7K3T8SPUBCHEM.COMPOUND:4781CHEMBL.COMPOUND:CHEMBL101DRUGBANK:DB00812MESH:D010653CAS:4297-92-1CAS:50-33-9DrugCentral:2145GTOPDB:7270HMDB:HMDB0014950KEGG.COMPOUND:C07440INCHIKEY:VYMDGNCVAMGZFE-UHFFFAOYSA-NUMLS:C0031463RXCUI:8160	92.8	A member of the class of  pyrazolidines that is 1,2-diphenylpyrazolidine-3,5-dione carrying a butyl group at the 4-position.
CHEBI:17594	Hydroquinone	biolink:SmallMoleculebiolink:MolecularEntitybiolink:ChemicalEntitybiolink:PhysicalEssencebiolink:ChemicalOrDrugOrTreatmentbiolink:ChemicalEntityOrGeneOrGeneProductbiolink:ChemicalEntityOrProteinOrPolypeptidebiolink:NamedThingbiolink:PhysicalEssenceOrOccurrent	CHEBI:17594UNII:XV74C1N1AEPUBCHEM.COMPOUND:785CHEMBL.COMPOUND:CHEMBL537DRUGBANK:DB09526MESH:C031927CAS:123-31-9CAS:204-617-8CAS:3225-30-7DrugCentral:3282HMDB:HMDB0002434KEGG.COMPOUND:C00530KEGG.COMPOUND:C15603C00530INCHIKEY:QIGBRXMKCJKVMJ-UHFFFAOYSA-NUMLS:C0020306RXCUI:5509	79.4	A benzenediol comprising benzene core carrying two hydroxy substituents para to each other.
CHEBI:47232	bromoethane	biolink:SmallMoleculebiolink:MolecularEntitybiolink:ChemicalEntitybiolink:PhysicalEssencebiolink:ChemicalOrDrugOrTreatmentbiolink:ChemicalEntityOrGeneOrGeneProductbiolink:ChemicalEntityOrProteinOrPolypeptidebiolink:NamedThingbiolink:PhysicalEssenceOrOccurrent	CHEBI:47232UNII:LI8384T9PHPUBCHEM.COMPOUND:6332CHEMBL.COMPOUND:CHEMBL156378MESH:C037311CAS:200-825-8CAS:74-96-4KEGG.COMPOUND:C19354INCHIKEY:RDHPKYGYEGBMSE-UHFFFAOYSA-NUMLS:C0054121	100.0	A bromoalkane that is ethane carrying a bromo substituent. It is an alkylating agent used as a chemical intermediate in various organic syntheses.
CHEBI:59001	ERL 4206	biolink:SmallMoleculebiolink:MolecularEntitybiolink:ChemicalEntitybiolink:PhysicalEssencebiolink:ChemicalOrDrugOrTreatmentbiolink:ChemicalEntityOrGeneOrGeneProductbiolink:ChemicalEntityOrProteinOrPolypeptidebiolink:NamedThingbiolink:PhysicalEssenceOrOccurrent	CHEBI:59001UNII:596C064IG4PUBCHEM.COMPOUND:7833CHEMBL.COMPOUND:CHEMBL1734307MESH:C012606MESH:C053660CAS:106-87-6CAS:203-437-7CAS:25086-25-3HMDB:HMDB0246593KEGG.COMPOUND:C19311INCHIKEY:OECTYKWYRCHAKR-UHFFFAOYSA-NUMLS:C0048737UMLS:C0631771	95.4	The diepoxide of 4-vinylcyclohexene.
MPATH:326	326	biolink:NamedThing			
MONDO:0004387	luteoma	biolink:Diseasebiolink:DiseaseOrPhenotypicFeaturebiolink:BiologicalEntitybiolink:ThingWithTaxonbiolink:NamedThing	MONDO:0004387DOID:7880EFO:1000434UMLS:C0024167UMLS:C0334209UMLS:C1517842MESH:D018311NCIT:C3202NCIT:C40445SNOMEDCT:26372004SNOMEDCT:3645005medgen:137726	100.0	A non-neoplastic and self-limited condition that occurs during pregnancy. It is characterized by proliferation of luteinized stromal cells that replace the normal ovarian stromal cells. It is usually manifested with bilateral multinodular ovarian masses. Treatment is not required.
CHEBI:16269	N,N-dimethylaniline	biolink:SmallMoleculebiolink:MolecularEntitybiolink:ChemicalEntitybiolink:PhysicalEssencebiolink:ChemicalOrDrugOrTreatmentbiolink:ChemicalEntityOrGeneOrGeneProductbiolink:ChemicalEntityOrProteinOrPolypeptidebiolink:NamedThingbiolink:PhysicalEssenceOrOccurrent	CHEBI:16269UNII:7426719369PUBCHEM.COMPOUND:949CHEMBL.COMPOUND:CHEMBL371654MESH:C015157CAS:101357-19-1CAS:121-69-7CAS:204-493-5CAS:86362-18-7HMDB:HMDB0001020KEGG.COMPOUND:C02846INCHIKEY:JLTDJTHDQAWBAV-UHFFFAOYSA-NUMLS:C0067383	90.9	A tertiary amine that is aniline in which the amino hydrogens are replaced by two methyl groups.
MPATH:397	397	biolink:NamedThing			
CHEBI:18358	Methoxsalen	biolink:SmallMoleculebiolink:MolecularEntitybiolink:ChemicalEntitybiolink:PhysicalEssencebiolink:ChemicalOrDrugOrTreatmentbiolink:ChemicalEntityOrGeneOrGeneProductbiolink:ChemicalEntityOrProteinOrPolypeptidebiolink:NamedThingbiolink:PhysicalEssenceOrOccurrent	CHEBI:18358UNII:U4VJ29L7BQPUBCHEM.COMPOUND:4114CHEMBL.COMPOUND:CHEMBL416DRUGBANK:DB00553MESH:D008730CAS:12692-94-3CAS:206-066-9CAS:298-81-7DrugCentral:30GTOPDB:12457HMDB:HMDB0014693KEGG.COMPOUND:C01864INCHIKEY:QXKHYNVANLEOEG-UHFFFAOYSA-NUMLS:C0025684RXCUI:6854	95.4	A member of the class of psoralens that is 7H-furo[3,2-g]chromen-7-one in which the 9 position is substituted by a methoxy group. It is a constituent of the fruits of Ammi majus. Like other psoralens, trioxsalen causes photosensitization of the skin. It is administered topically or orally in conjunction with UV-A for phototherapy treatment of vitiligo and severe psoriasis.
CHEBI:7719	ochratoxin A	biolink:SmallMoleculebiolink:MolecularEntitybiolink:ChemicalEntitybiolink:PhysicalEssencebiolink:ChemicalOrDrugOrTreatmentbiolink:ChemicalEntityOrGeneOrGeneProductbiolink:ChemicalEntityOrProteinOrPolypeptidebiolink:NamedThingbiolink:PhysicalEssenceOrOccurrent	CHEBI:7719UNII:1779SX6LUYPUBCHEM.COMPOUND:442530CHEMBL.COMPOUND:CHEMBL589366MESH:C025589CAS:206-143-7CAS:303-47-9GTOPDB:4672HMDB:HMDB0029399KEGG.COMPOUND:C09955INCHIKEY:RWQKHEORZBHNRI-BMIGLBTASA-NUMLS:C0069299	87.2	A phenylalanine derivative resulting from the formal condensation of the amino group of L-phenylalanine with the carboxy group of (3R)-5-chloro-8-hydroxy-3-methyl-1-oxo-3,4-dihydro-1H-2-benzopyran-7-carboxylic acid (ochratoxin alpha). It is among the most widely occurring food-contaminating mycotoxins, produced by Aspergillus ochraceus, Aspergillus carbonarius and Penicillium verrucosum.
CHEBI:47426	Furosemide	biolink:SmallMoleculebiolink:MolecularEntitybiolink:ChemicalEntitybiolink:PhysicalEssencebiolink:ChemicalOrDrugOrTreatmentbiolink:ChemicalEntityOrGeneOrGeneProductbiolink:ChemicalEntityOrProteinOrPolypeptidebiolink:NamedThingbiolink:PhysicalEssenceOrOccurrent	CHEBI:47426UNII:7LXU5N7ZO5PUBCHEM.COMPOUND:3440CHEMBL.COMPOUND:CHEMBL35DRUGBANK:DB00695MESH:C107060MESH:D005665CAS:200-203-6CAS:54-31-9CAS:84931-49-7DrugCentral:1258GTOPDB:4839HMDB:HMDB0001933KEGG.COMPOUND:C07017INCHIKEY:ZZUFCTLCJUWOSV-UHFFFAOYSA-NUMLS:C0016860UMLS:C0541157RXCUI:4603	95.4	A  chlorobenzoic acid that is 4-chlorobenzoic acid substituted by a (furan-2-ylmethyl)amino and a sulfamoyl group at position 2 and 5 respectively. It is a diuretic used in the treatment of congestive heart failure.
CHEBI:82492	N-Methylolacrylamide	biolink:SmallMoleculebiolink:MolecularEntitybiolink:ChemicalEntitybiolink:PhysicalEssencebiolink:ChemicalOrDrugOrTreatmentbiolink:ChemicalEntityOrGeneOrGeneProductbiolink:ChemicalEntityOrProteinOrPolypeptidebiolink:NamedThingbiolink:PhysicalEssenceOrOccurrent	CHEBI:82492UNII:W8W68JL80QPUBCHEM.COMPOUND:13543CHEMBL.COMPOUND:CHEMBL1892361MESH:C066443CAS:924-42-5HMDB:HMDB0255023KEGG.COMPOUND:C19456INCHIKEY:CNCOEDDPFOAUMB-UHFFFAOYSA-NUMLS:C0083683	95.4	
UNII:PO3W01CFSW	P-CHLOROANILINE HYDROCHLORIDE	biolink:MolecularMixturebiolink:ChemicalMixturebiolink:ChemicalEntitybiolink:PhysicalEssencebiolink:ChemicalOrDrugOrTreatmentbiolink:ChemicalEntityOrGeneOrGeneProductbiolink:ChemicalEntityOrProteinOrPolypeptidebiolink:NamedThingbiolink:PhysicalEssenceOrOccurrent	UNII:PO3W01CFSWCHEMBL.COMPOUND:CHEMBL3188137INCHIKEY:ISJBQSJDQZLCSF-UHFFFAOYSA-N		
CHEBI:38682	Bromoform	biolink:SmallMoleculebiolink:MolecularEntitybiolink:ChemicalEntitybiolink:PhysicalEssencebiolink:ChemicalOrDrugOrTreatmentbiolink:ChemicalEntityOrGeneOrGeneProductbiolink:ChemicalEntityOrProteinOrPolypeptidebiolink:NamedThingbiolink:PhysicalEssenceOrOccurrent	CHEBI:38682UNII:TUT9J99IMUPUBCHEM.COMPOUND:5558CHEMBL.COMPOUND:CHEMBL345248DRUGBANK:DB03054MESH:C015044CAS:200-854-6CAS:4471-18-5CAS:75-25-2DrugCentral:405HMDB:HMDB0062089KEGG.COMPOUND:C14707INCHIKEY:DIKBFYAXUHHXCS-UHFFFAOYSA-NUMLS:C0054122	95.4	
CHEBI:47554	Ethyl chloride	biolink:SmallMoleculebiolink:MolecularEntitybiolink:ChemicalEntitybiolink:PhysicalEssencebiolink:ChemicalOrDrugOrTreatmentbiolink:ChemicalEntityOrGeneOrGeneProductbiolink:ChemicalEntityOrProteinOrPolypeptidebiolink:NamedThingbiolink:PhysicalEssenceOrOccurrent	CHEBI:47554UNII:46U771ERWKPUBCHEM.COMPOUND:6337CHEMBL.COMPOUND:CHEMBL46058DRUGBANK:DB13259MESH:D005018CAS:25052-55-5CAS:75-00-3DrugCentral:3196HMDB:HMDB0250113KEGG.COMPOUND:C18248INCHIKEY:HRYZWHHZPQKTII-UHFFFAOYSA-NUMLS:C0015058RXCUI:4141	90.9	The simplest and least toxic member of the class of chloroethanes, that is ethane in which a single hydrogen is substituted by a chlorine. A colourless gas at room temperature and pressure (boiling point 12degreeC), it is used as a mild topical anaesthetic to numb the skin prior to ear piercing, skin biopsies, etc., and is also used in the treatment of sports injuries. It was formerly used in the production of tetraethyllead.
CHEBI:34690	Dichlorvos	biolink:SmallMoleculebiolink:MolecularEntitybiolink:ChemicalEntitybiolink:PhysicalEssencebiolink:ChemicalOrDrugOrTreatmentbiolink:ChemicalEntityOrGeneOrGeneProductbiolink:ChemicalEntityOrProteinOrPolypeptidebiolink:NamedThingbiolink:PhysicalEssenceOrOccurrent	CHEBI:34690UNII:7U370BPS14PUBCHEM.COMPOUND:3039CHEMBL.COMPOUND:CHEMBL167911DRUGBANK:DB11397MESH:D004006CAS:200-547-7CAS:62-73-7DrugCentral:5523HMDB:HMDB0033956KEGG.COMPOUND:C14430INCHIKEY:OEBRKCOSUFCWJD-UHFFFAOYSA-NUMLS:C0012087	95.4	An alkenyl phosphate that is the 2,2-dichloroethenyl ester of dimethyl phosphate.
CHEBI:95222	1-[(5-nitro-2-furanyl)methylideneamino]imidazolidine-2,4-dione	biolink:SmallMoleculebiolink:MolecularEntitybiolink:ChemicalEntitybiolink:PhysicalEssencebiolink:ChemicalOrDrugOrTreatmentbiolink:ChemicalEntityOrGeneOrGeneProductbiolink:ChemicalEntityOrProteinOrPolypeptidebiolink:NamedThingbiolink:PhysicalEssenceOrOccurrent	CHEBI:95222PUBCHEM.COMPOUND:4509CHEMBL.COMPOUND:CHEMBL1605821INCHIKEY:NXFQHRVNIOXGAQ-UHFFFAOYSA-N	100.0	
CHEBI:44368	nitrofurazone	biolink:SmallMoleculebiolink:MolecularEntitybiolink:ChemicalEntitybiolink:PhysicalEssencebiolink:ChemicalOrDrugOrTreatmentbiolink:ChemicalEntityOrGeneOrGeneProductbiolink:ChemicalEntityOrProteinOrPolypeptidebiolink:NamedThingbiolink:PhysicalEssenceOrOccurrent	CHEBI:44368PUBCHEM.COMPOUND:1839CHEMBL.COMPOUND:CHEMBL1603968MESH:D009583HMDB:HMDB0257247INCHIKEY:IAIWVQXQOWNYOU-UHFFFAOYSA-NUMLS:C0028157RXCUI:7455	100.0	A semicarbazone resulting from the formal condensation of semicarbazide with 5-nitrofuraldehyde. A broad spectrum antibacterial drug, although with little activity against Pseudomonas species, it is used as a local application for burns, ulcers, wounds and skin infections.
CHEBI:82425	ACID ORANGE 3	biolink:MolecularMixturebiolink:ChemicalMixturebiolink:ChemicalEntitybiolink:PhysicalEssencebiolink:ChemicalOrDrugOrTreatmentbiolink:ChemicalEntityOrGeneOrGeneProductbiolink:ChemicalEntityOrProteinOrPolypeptidebiolink:NamedThingbiolink:PhysicalEssenceOrOccurrent	CHEBI:82425UNII:P0XV7XM57JPUBCHEM.COMPOUND:5284435CHEMBL.COMPOUND:CHEMBL3181851CAS:6373-74-6KEGG.COMPOUND:C19370INCHIKEY:KKBFCPLWFWQNFB-UHFFFAOYSA-M	100.0	
CHEBI:82384	2-Amino-5-nitrophenol	biolink:SmallMoleculebiolink:MolecularEntitybiolink:ChemicalEntitybiolink:PhysicalEssencebiolink:ChemicalOrDrugOrTreatmentbiolink:ChemicalEntityOrGeneOrGeneProductbiolink:ChemicalEntityOrProteinOrPolypeptidebiolink:NamedThingbiolink:PhysicalEssenceOrOccurrent	CHEBI:82384UNII:0149H05U82PUBCHEM.COMPOUND:4984721CHEMBL.COMPOUND:CHEMBL164989MESH:C087594CAS:121-88-0CAS:204-503-8KEGG.COMPOUND:C19322INCHIKEY:DOPJTDJKZNWLRB-UHFFFAOYSA-NUMLS:C0255470	100.0	
CHEBI:34292	captax	biolink:SmallMoleculebiolink:MolecularEntitybiolink:ChemicalEntitybiolink:PhysicalEssencebiolink:ChemicalOrDrugOrTreatmentbiolink:ChemicalEntityOrGeneOrGeneProductbiolink:ChemicalEntityOrProteinOrPolypeptidebiolink:NamedThingbiolink:PhysicalEssenceOrOccurrent	CHEBI:34292UNII:5RLR54Z22KPUBCHEM.COMPOUND:697993CHEMBL.COMPOUND:CHEMBL111654DRUGBANK:DB11496MESH:C005563CAS:118090-09-8CAS:149-30-4CAS:205-736-8DrugCentral:5522HMDB:HMDB0030524KEGG.COMPOUND:C14437INCHIKEY:YXIWHUQXZSMYRE-UHFFFAOYSA-NUMLS:C0054631RXCUI:1358845	90.9	1,3-Benzothiazole substituted at the 2-position with a sulfanyl group.
PUBCHEM.COMPOUND:23665729	malonaldehyde, sodium salt	biolink:MolecularMixturebiolink:ChemicalMixturebiolink:ChemicalEntitybiolink:PhysicalEssencebiolink:ChemicalOrDrugOrTreatmentbiolink:ChemicalEntityOrGeneOrGeneProductbiolink:ChemicalEntityOrProteinOrPolypeptidebiolink:NamedThingbiolink:PhysicalEssenceOrOccurrent	PUBCHEM.COMPOUND:23665729INCHIKEY:MRDWCSQUHSGBGQ-TYYBGVCCSA-M		
CHEBI:82326	1,2-Epoxybutane	biolink:SmallMoleculebiolink:MolecularEntitybiolink:ChemicalEntitybiolink:PhysicalEssencebiolink:ChemicalOrDrugOrTreatmentbiolink:ChemicalEntityOrGeneOrGeneProductbiolink:ChemicalEntityOrProteinOrPolypeptidebiolink:NamedThingbiolink:PhysicalEssenceOrOccurrent	CHEBI:82326UNII:FR67H5388OPUBCHEM.COMPOUND:7834CHEMBL.COMPOUND:CHEMBL1378095MESH:C027488CAS:106-88-7CAS:247-545-2KEGG.COMPOUND:C19237INCHIKEY:RBACIKXCRWGCBB-UHFFFAOYSA-NUMLS:C0043859	100.0	
CHEBI:76606	methyl carbamate	biolink:SmallMoleculebiolink:MolecularEntitybiolink:ChemicalEntitybiolink:PhysicalEssencebiolink:ChemicalOrDrugOrTreatmentbiolink:ChemicalEntityOrGeneOrGeneProductbiolink:ChemicalEntityOrProteinOrPolypeptidebiolink:NamedThingbiolink:PhysicalEssenceOrOccurrent	CHEBI:76606UNII:9WFX634X2TPUBCHEM.COMPOUND:11722CHEMBL.COMPOUND:CHEMBL1085707MESH:C036868CAS:209-939-2CAS:598-55-0HMDB:HMDB0254579KEGG.COMPOUND:C19445INCHIKEY:GTCAXTIRRLKXRU-UHFFFAOYSA-NUMLS:C0066233	100.0	A carbamate ester resulting from the formal condensation of the carboxy group of carbamic acid with methanol.
CHEBI:27561	oxirane	biolink:SmallMoleculebiolink:MolecularEntitybiolink:ChemicalEntitybiolink:PhysicalEssencebiolink:ChemicalOrDrugOrTreatmentbiolink:ChemicalEntityOrGeneOrGeneProductbiolink:ChemicalEntityOrProteinOrPolypeptidebiolink:NamedThingbiolink:PhysicalEssenceOrOccurrent	CHEBI:27561UNII:JJH7GNN18PPUBCHEM.COMPOUND:6354CHEMBL.COMPOUND:CHEMBL1743219MESH:D005027CAS:200-849-9CAS:75-21-8HMDB:HMDB0255987KEGG.COMPOUND:C06548INCHIKEY:IAYPIBMASNFSPL-UHFFFAOYSA-NUMLS:C0015087RXCUI:1368154	55.4	A  saturated organic heteromonocyclic parent that is a three-membered heterocycle of two carbon atoms and one oxygen atom.
MPATH:277	277	biolink:NamedThing			
MPATH:561	561	biolink:NamedThing			
UNII:20Z996230U	dimethyl methylphosphonate	biolink:SmallMoleculebiolink:MolecularEntitybiolink:ChemicalEntitybiolink:PhysicalEssencebiolink:ChemicalOrDrugOrTreatmentbiolink:ChemicalEntityOrGeneOrGeneProductbiolink:ChemicalEntityOrProteinOrPolypeptidebiolink:NamedThingbiolink:PhysicalEssenceOrOccurrent	UNII:20Z996230UPUBCHEM.COMPOUND:12958CHEMBL.COMPOUND:CHEMBL2924224MESH:C031116CAS:212-052-3CAS:756-79-6INCHIKEY:VONWDASPFIQPDY-UHFFFAOYSA-NUMLS:C0058222		
CHEBI:28618	1,4-dichlorobenzene	biolink:SmallMoleculebiolink:MolecularEntitybiolink:ChemicalEntitybiolink:PhysicalEssencebiolink:ChemicalOrDrugOrTreatmentbiolink:ChemicalEntityOrGeneOrGeneProductbiolink:ChemicalEntityOrProteinOrPolypeptidebiolink:NamedThingbiolink:PhysicalEssenceOrOccurrent	CHEBI:28618UNII:D149TYB5MKPUBCHEM.COMPOUND:4685CHEMBL.COMPOUND:CHEMBL190982MESH:C018511CAS:106-46-7CAS:203-400-5CAS:55232-43-4HMDB:HMDB0041971KEGG.COMPOUND:C07092INCHIKEY:OCJBOOLMMGQPQU-UHFFFAOYSA-NUMLS:C0048243	90.9	A dichlorobenzene carrying chloro groups at positions 1 and 4.
CHEBI:82300	1-Chloro-2-methylpropene	biolink:SmallMoleculebiolink:MolecularEntitybiolink:ChemicalEntitybiolink:PhysicalEssencebiolink:ChemicalOrDrugOrTreatmentbiolink:ChemicalEntityOrGeneOrGeneProductbiolink:ChemicalEntityOrProteinOrPolypeptidebiolink:NamedThingbiolink:PhysicalEssenceOrOccurrent	CHEBI:82300UNII:JP8N4M44OPPUBCHEM.COMPOUND:10555CHEMBL.COMPOUND:CHEMBL160508MESH:C051950CAS:513-37-1KEGG.COMPOUND:C19206INCHIKEY:KWISWUFGPUHDRY-UHFFFAOYSA-NUMLS:C0044333RXCUI:2469243	100.0	
CHEBI:34852	mirex	biolink:SmallMoleculebiolink:MolecularEntitybiolink:ChemicalEntitybiolink:PhysicalEssencebiolink:ChemicalOrDrugOrTreatmentbiolink:ChemicalEntityOrGeneOrGeneProductbiolink:ChemicalEntityOrProteinOrPolypeptidebiolink:NamedThingbiolink:PhysicalEssenceOrOccurrent	CHEBI:34852UNII:Z917AN264PPUBCHEM.COMPOUND:16945CHEMBL.COMPOUND:CHEMBL442231MESH:D008917CAS:2385-85-5HMDB:HMDB0059573KEGG.COMPOUND:C14184INCHIKEY:GVYLCNUFSHDAAW-UHFFFAOYSA-NUMLS:C0026209	95.4	
CHEBI:17300	tetrachloroethylene	biolink:SmallMoleculebiolink:MolecularEntitybiolink:ChemicalEntitybiolink:PhysicalEssencebiolink:ChemicalOrDrugOrTreatmentbiolink:ChemicalEntityOrGeneOrGeneProductbiolink:ChemicalEntityOrProteinOrPolypeptidebiolink:NamedThingbiolink:PhysicalEssenceOrOccurrent	CHEBI:17300UNII:TJ904HH8SNPUBCHEM.COMPOUND:31373CHEMBL.COMPOUND:CHEMBL114062MESH:D013750CAS:127-18-4CAS:204-825-9CAS:25135-99-3DrugCentral:3587HMDB:HMDB0041980KEGG.COMPOUND:C06789INCHIKEY:CYTYCFOTNPOANT-UHFFFAOYSA-NUMLS:C0039637	90.9	A chlorocarbon that is tetrachloro substituted ethene.
CHEBI:82436	decabromodiphenyl ether	biolink:SmallMoleculebiolink:MolecularEntitybiolink:ChemicalEntitybiolink:PhysicalEssencebiolink:ChemicalOrDrugOrTreatmentbiolink:ChemicalEntityOrGeneOrGeneProductbiolink:ChemicalEntityOrProteinOrPolypeptidebiolink:NamedThingbiolink:PhysicalEssenceOrOccurrent	CHEBI:82436UNII:N80BQ29A0HPUBCHEM.COMPOUND:14410CHEMBL.COMPOUND:CHEMBL229975MESH:C010902CAS:1163-19-5CAS:145538-74-5CAS:214-604-9CAS:604-478-7KEGG.COMPOUND:C19383INCHIKEY:WHHGLZMJPXIBIX-UHFFFAOYSA-NUMLS:C0112691	95.4	A polybromodiphenyl ether that is diphenyl ether in which all of the hydrogens have been replaced by bromines.
CHEBI:15767	dichloromethane	biolink:SmallMoleculebiolink:MolecularEntitybiolink:ChemicalEntitybiolink:PhysicalEssencebiolink:ChemicalOrDrugOrTreatmentbiolink:ChemicalEntityOrGeneOrGeneProductbiolink:ChemicalEntityOrProteinOrPolypeptidebiolink:NamedThingbiolink:PhysicalEssenceOrOccurrent	CHEBI:15767UNII:588X2YUY0APUBCHEM.COMPOUND:6344CHEMBL.COMPOUND:CHEMBL45967MESH:D008752CAS:200-838-9CAS:75-09-2HMDB:HMDB0031548KEGG.COMPOUND:C02271INCHIKEY:YMWUJEATGCHHMB-UHFFFAOYSA-NUMLS:C0025748RXCUI:1311537	90.9	A member of the class of chloromethanes that is methane in which two of the hydrogens have been replaced by chlorine. A dense, non-flammible colourless liquid at room temperature (b.p. 40degreeC, d = 1.33) which is immiscible with water, it is widely used as a solvent, a paint stripper, and for the removal of caffeine from coffee and tea.
CHEBI:76603	chlorendic acid	biolink:SmallMoleculebiolink:MolecularEntitybiolink:ChemicalEntitybiolink:PhysicalEssencebiolink:ChemicalOrDrugOrTreatmentbiolink:ChemicalEntityOrGeneOrGeneProductbiolink:ChemicalEntityOrProteinOrPolypeptidebiolink:NamedThingbiolink:PhysicalEssenceOrOccurrent	CHEBI:76603PUBCHEM.COMPOUND:8266CHEMBL.COMPOUND:CHEMBL462314CAS:115-28-6CAS:7374-78-9KEGG.COMPOUND:C19204INCHIKEY:DJKGDNKYTKCJKD-UHFFFAOYSA-N	95.4	A bridged organochlorine compound resulting from the Diels-Alder reaction of hexachlorocyclopentadiene with maleic anhydride followed by hydrolysis of the resulting anhydride. A chemical intermediate used in the preparation of fire-retardant polyester resins and plasticisers.
CHEBI:82377	4-Vinylcyclohexene	biolink:SmallMoleculebiolink:MolecularEntitybiolink:ChemicalEntitybiolink:PhysicalEssencebiolink:ChemicalOrDrugOrTreatmentbiolink:ChemicalEntityOrGeneOrGeneProductbiolink:ChemicalEntityOrProteinOrPolypeptidebiolink:NamedThingbiolink:PhysicalEssenceOrOccurrent	CHEBI:82377UNII:212JQJ15PSPUBCHEM.COMPOUND:7499CHEMBL.COMPOUND:CHEMBL1330194MESH:C013733CAS:100-40-3HMDB:HMDB0246592KEGG.COMPOUND:C19310INCHIKEY:BBDKZWKEPDTENS-UHFFFAOYSA-NUMLS:C0048738	100.0	
CHEBI:82419	3-Chloro-2-methylpropene	biolink:SmallMoleculebiolink:MolecularEntitybiolink:ChemicalEntitybiolink:PhysicalEssencebiolink:ChemicalOrDrugOrTreatmentbiolink:ChemicalEntityOrGeneOrGeneProductbiolink:ChemicalEntityOrProteinOrPolypeptidebiolink:NamedThingbiolink:PhysicalEssenceOrOccurrent	CHEBI:82419UNII:7A9X1C3I3OPUBCHEM.COMPOUND:11241CHEMBL.COMPOUND:CHEMBL157368MESH:C050660CAS:563-47-3KEGG.COMPOUND:C19363INCHIKEY:OHXAOPZTJOUYKM-UHFFFAOYSA-NUMLS:C0047290	100.0	
CHEBI:82325	Disperse Blue 1	biolink:SmallMoleculebiolink:MolecularEntitybiolink:ChemicalEntitybiolink:PhysicalEssencebiolink:ChemicalOrDrugOrTreatmentbiolink:ChemicalEntityOrGeneOrGeneProductbiolink:ChemicalEntityOrProteinOrPolypeptidebiolink:NamedThingbiolink:PhysicalEssenceOrOccurrent	CHEBI:82325UNII:2429NAZ8WHPUBCHEM.COMPOUND:17190CHEMBL.COMPOUND:CHEMBL87568MESH:C048853CAS:219-603-7CAS:2475-45-8KEGG.COMPOUND:C19236INCHIKEY:JSFUMBWFPQSADC-UHFFFAOYSA-NUMLS:C0082319	100.0	
MPATH:425	425	biolink:NamedThing			
MPATH:426	426	biolink:NamedThing			
UNII:D1B75YF8F1	dimethyl morpholinophosphoramidate	biolink:SmallMoleculebiolink:MolecularEntitybiolink:ChemicalEntitybiolink:PhysicalEssencebiolink:ChemicalOrDrugOrTreatmentbiolink:ChemicalEntityOrGeneOrGeneProductbiolink:ChemicalEntityOrProteinOrPolypeptidebiolink:NamedThingbiolink:PhysicalEssenceOrOccurrent	UNII:D1B75YF8F1PUBCHEM.COMPOUND:11698MESH:C101013CAS:597-25-1INCHIKEY:BZXUQIDKDGGYPB-UHFFFAOYSA-NUMLS:C0528927		
UNII:6ISF3I515R	LIZARDITE	biolink:MolecularMixturebiolink:ChemicalMixturebiolink:ChemicalEntitybiolink:PhysicalEssencebiolink:ChemicalOrDrugOrTreatmentbiolink:ChemicalEntityOrGeneOrGeneProductbiolink:ChemicalEntityOrProteinOrPolypeptidebiolink:NamedThingbiolink:PhysicalEssenceOrOccurrent	UNII:6ISF3I515RPUBCHEM.COMPOUND:25477MESH:D017632CAS:12001-29-5CAS:12168-92-2CAS:12426-97-0CAS:132207-32-0INCHIKEY:CWBIFDGMOSWLRQ-UHFFFAOYSA-NUMLS:C0142056		
CHEBI:34800	isophorone	biolink:SmallMoleculebiolink:MolecularEntitybiolink:ChemicalEntitybiolink:PhysicalEssencebiolink:ChemicalOrDrugOrTreatmentbiolink:ChemicalEntityOrGeneOrGeneProductbiolink:ChemicalEntityOrProteinOrPolypeptidebiolink:NamedThingbiolink:PhysicalEssenceOrOccurrent	CHEBI:34800UNII:2BR99VR6WAPUBCHEM.COMPOUND:6544CHEMBL.COMPOUND:CHEMBL1882894MESH:C005940CAS:78-59-1HMDB:HMDB0031195KEGG.COMPOUND:C14743INCHIKEY:HJOVHMDZYOCNQW-UHFFFAOYSA-NUMLS:C0064035	92.8	A cyclic ketone, the structure of which is that of cyclohex-2-en-1-one substituted by methyl groups at positions 3, 5 and 5.
CHEBI:16716	benzene	biolink:SmallMoleculebiolink:MolecularEntitybiolink:ChemicalEntitybiolink:PhysicalEssencebiolink:ChemicalOrDrugOrTreatmentbiolink:ChemicalEntityOrGeneOrGeneProductbiolink:ChemicalEntityOrProteinOrPolypeptidebiolink:NamedThingbiolink:PhysicalEssenceOrOccurrent	CHEBI:16716UNII:J64922108FPUBCHEM.COMPOUND:241CHEMBL.COMPOUND:CHEMBL277500MESH:D001554CAS:200-753-7CAS:25053-22-9CAS:26181-88-4CAS:3355-34-8CAS:54682-86-9CAS:71-43-2HMDB:HMDB0001505KEGG.COMPOUND:C01407INCHIKEY:UHOVQNZJYSORNB-UHFFFAOYSA-NUMLS:C0005036RXCUI:1311295	62.5	A six-carbon aromatic annulene in which each carbon atom donates one of its two 2p electrons into a delocalised pi system. A toxic, flammable liquid byproduct of coal distillation, it is used as an industrial solvent. Benzene is a carcinogen that also damages bone marrow and the central nervous system.
MPATH:256	256	biolink:NamedThing			
UNII:237JNK8KUO	Dimethyl ester phosphorous acid	biolink:SmallMoleculebiolink:MolecularEntitybiolink:ChemicalEntitybiolink:PhysicalEssencebiolink:ChemicalOrDrugOrTreatmentbiolink:ChemicalEntityOrGeneOrGeneProductbiolink:ChemicalEntityOrProteinOrPolypeptidebiolink:NamedThingbiolink:PhysicalEssenceOrOccurrent	UNII:237JNK8KUOPUBCHEM.COMPOUND:94853CAS:96-36-6INCHIKEY:DLQDGVZAEYZNTG-UHFFFAOYSA-N		
UNII:444C2M8JKN	PARAROSANILINE HYDROCHLORIDE	biolink:MolecularMixturebiolink:ChemicalMixturebiolink:ChemicalEntitybiolink:PhysicalEssencebiolink:ChemicalOrDrugOrTreatmentbiolink:ChemicalEntityOrGeneOrGeneProductbiolink:ChemicalEntityOrProteinOrPolypeptidebiolink:NamedThingbiolink:PhysicalEssenceOrOccurrent	UNII:444C2M8JKNCHEMBL.COMPOUND:CHEMBL1609459KEGG.COMPOUND:C19210INCHIKEY:JUQPZRLQQYSMEQ-UHFFFAOYSA-N		
CHEBI:34627	Chlorodibromomethane	biolink:SmallMoleculebiolink:MolecularEntitybiolink:ChemicalEntitybiolink:PhysicalEssencebiolink:ChemicalOrDrugOrTreatmentbiolink:ChemicalEntityOrGeneOrGeneProductbiolink:ChemicalEntityOrProteinOrPolypeptidebiolink:NamedThingbiolink:PhysicalEssenceOrOccurrent	CHEBI:34627UNII:3T4AJR1H24PUBCHEM.COMPOUND:31296CHEMBL.COMPOUND:CHEMBL157093MESH:C032707CAS:124-48-1CAS:204-704-0HMDB:HMDB0059903KEGG.COMPOUND:C14692INCHIKEY:GATVIKZLVQHOMN-UHFFFAOYSA-NUMLS:C0055404	100.0	
CHEBI:28738	2,6-xylidine	biolink:SmallMoleculebiolink:MolecularEntitybiolink:ChemicalEntitybiolink:PhysicalEssencebiolink:ChemicalOrDrugOrTreatmentbiolink:ChemicalEntityOrGeneOrGeneProductbiolink:ChemicalEntityOrProteinOrPolypeptidebiolink:NamedThingbiolink:PhysicalEssenceOrOccurrent	CHEBI:28738UNII:4FT62OX08DPUBCHEM.COMPOUND:6896CHEMBL.COMPOUND:CHEMBL1340793MESH:C007766CAS:87-62-7HMDB:HMDB0060677KEGG.COMPOUND:C11004INCHIKEY:UFFBMTHBGFGIHF-UHFFFAOYSA-NUMLS:C0045627	92.8	A primary arylamine that is aniline in which the hydrogens at the 2- and 6-positions are replaced by methyl groups. It is used in the production of some anasthetics and other chemicals. It is a drug metabolite of lidocaine (local anasthetic).
CHEBI:181994	Tris(2-ethylhexyl) phosphate	biolink:SmallMoleculebiolink:MolecularEntitybiolink:ChemicalEntitybiolink:PhysicalEssencebiolink:ChemicalOrDrugOrTreatmentbiolink:ChemicalEntityOrGeneOrGeneProductbiolink:ChemicalEntityOrProteinOrPolypeptidebiolink:NamedThingbiolink:PhysicalEssenceOrOccurrent	CHEBI:181994UNII:BQC0BKB72SPUBCHEM.COMPOUND:6537CHEMBL.COMPOUND:CHEMBL1562290MESH:C049232CAS:78-42-2HMDB:HMDB0259278INCHIKEY:GTVWRXDRKAHEAD-UHFFFAOYSA-NUMLS:C0285280	100.0	
CHEBI:82333	HC Blue No.1	biolink:SmallMoleculebiolink:MolecularEntitybiolink:ChemicalEntitybiolink:PhysicalEssencebiolink:ChemicalOrDrugOrTreatmentbiolink:ChemicalEntityOrGeneOrGeneProductbiolink:ChemicalEntityOrProteinOrPolypeptidebiolink:NamedThingbiolink:PhysicalEssenceOrOccurrent	CHEBI:82333UNII:UH430IGW0CPUBCHEM.COMPOUND:17734CHEMBL.COMPOUND:CHEMBL259863MESH:C007906CAS:220-495-9CAS:2784-94-3KEGG.COMPOUND:C19247INCHIKEY:MWJSMPQOVHQYTE-UHFFFAOYSA-NUMLS:C0131305	100.0	
PUBCHEM.COMPOUND:24883	cis-1,3-DICHLOROPROPENE	biolink:SmallMoleculebiolink:MolecularEntitybiolink:ChemicalEntitybiolink:PhysicalEssencebiolink:ChemicalOrDrugOrTreatmentbiolink:ChemicalEntityOrGeneOrGeneProductbiolink:ChemicalEntityOrProteinOrPolypeptidebiolink:NamedThingbiolink:PhysicalEssenceOrOccurrent	PUBCHEM.COMPOUND:24883CHEMBL.COMPOUND:CHEMBL3561804CAS:542-75-6HMDB:HMDB0250279INCHIKEY:UOORRWUZONOOLO-UHFFFAOYSA-N		
CHEBI:38685	propylene oxide	biolink:SmallMoleculebiolink:MolecularEntitybiolink:ChemicalEntitybiolink:PhysicalEssencebiolink:ChemicalOrDrugOrTreatmentbiolink:ChemicalEntityOrGeneOrGeneProductbiolink:ChemicalEntityOrProteinOrPolypeptidebiolink:NamedThingbiolink:PhysicalEssenceOrOccurrent	CHEBI:38685UNII:Y4Y7NYD4BKPUBCHEM.COMPOUND:6378CHEMBL.COMPOUND:CHEMBL2251584MESH:C009068CAS:200-879-2CAS:75-56-9HMDB:HMDB0031558KEGG.COMPOUND:C15508INCHIKEY:GOOHAUXETOMSMM-UHFFFAOYSA-NUMLS:C0072229RXCUI:1368175	83.6	An epoxide that is oxirane substituted by a methyl group at position 2.
CHEBI:38214	monuron	biolink:SmallMoleculebiolink:MolecularEntitybiolink:ChemicalEntitybiolink:PhysicalEssencebiolink:ChemicalOrDrugOrTreatmentbiolink:ChemicalEntityOrGeneOrGeneProductbiolink:ChemicalEntityOrProteinOrPolypeptidebiolink:NamedThingbiolink:PhysicalEssenceOrOccurrent	CHEBI:38214UNII:I99GAK5X1DPUBCHEM.COMPOUND:8800CHEMBL.COMPOUND:CHEMBL467623MESH:C100088CAS:150-68-5CAS:205-766-1HMDB:HMDB0254876KEGG.COMPOUND:C19087INCHIKEY:BMLIZLVNXIYGCK-UHFFFAOYSA-NUMLS:C0066784	95.4	A member of the class of 3-(3,4-substituted-phenyl)-1,1-dimethylureas that is urea in which one of the nitrogens is substituted by a p-chlorophenyl group while the other is substituted by two methyl groups.
CHEBI:142468	1,2-dichloropropane	biolink:SmallMoleculebiolink:MolecularEntitybiolink:ChemicalEntitybiolink:PhysicalEssencebiolink:ChemicalOrDrugOrTreatmentbiolink:ChemicalEntityOrGeneOrGeneProductbiolink:ChemicalEntityOrProteinOrPolypeptidebiolink:NamedThingbiolink:PhysicalEssenceOrOccurrent	CHEBI:142468CHEBI:82163UNII:RRZ023OFWLPUBCHEM.COMPOUND:6564CHEMBL.COMPOUND:CHEMBL44641MESH:C004765CAS:201-152-2CAS:78-87-5HMDB:HMDB0244069KEGG.COMPOUND:C19034INCHIKEY:KNKRKFALVUDBJE-UHFFFAOYSA-NUMLS:C0072223	89.4	A chloroalkane that is propane in which a hydrogen from each of two adjacent carbons has been replaced by chlorines.
CHEBI:82327	Ethyl acrylate	biolink:SmallMoleculebiolink:MolecularEntitybiolink:ChemicalEntitybiolink:PhysicalEssencebiolink:ChemicalOrDrugOrTreatmentbiolink:ChemicalEntityOrGeneOrGeneProductbiolink:ChemicalEntityOrProteinOrPolypeptidebiolink:NamedThingbiolink:PhysicalEssenceOrOccurrent	CHEBI:82327UNII:71E6178C9TPUBCHEM.COMPOUND:8821CHEMBL.COMPOUND:CHEMBL52084MESH:C040833CAS:140-88-5CAS:205-438-8HMDB:HMDB0033978KEGG.COMPOUND:C19238INCHIKEY:JIGUQPWFLRLWPJ-UHFFFAOYSA-NUMLS:C0059750RXCUI:1859382	95.4	
CHEBI:82318	Diglycidyl resorcinol ether	biolink:SmallMoleculebiolink:MolecularEntitybiolink:ChemicalEntitybiolink:PhysicalEssencebiolink:ChemicalOrDrugOrTreatmentbiolink:ChemicalEntityOrGeneOrGeneProductbiolink:ChemicalEntityOrProteinOrPolypeptidebiolink:NamedThingbiolink:PhysicalEssenceOrOccurrent	CHEBI:82318UNII:FXN2Y6QZ2WPUBCHEM.COMPOUND:7586CHEMBL.COMPOUND:CHEMBL1338613MESH:C013488CAS:101-90-6CAS:202-987-5KEGG.COMPOUND:C19228INCHIKEY:WPYCRFCQABTEKC-UHFFFAOYSA-NUMLS:C0058021	95.4	
CHEBI:82380	Allyl isovalerate	biolink:SmallMoleculebiolink:MolecularEntitybiolink:ChemicalEntitybiolink:PhysicalEssencebiolink:ChemicalOrDrugOrTreatmentbiolink:ChemicalEntityOrGeneOrGeneProductbiolink:ChemicalEntityOrProteinOrPolypeptidebiolink:NamedThingbiolink:PhysicalEssenceOrOccurrent	CHEBI:82380UNII:3551Z86V7TPUBCHEM.COMPOUND:17816CHEMBL.COMPOUND:CHEMBL1887355MESH:C047023CAS:220-609-7CAS:2835-39-4HMDB:HMDB0038036KEGG.COMPOUND:C19318INCHIKEY:HOMAGVUCNZNWBC-UHFFFAOYSA-NUMLS:C0051232	100.0	
UNII:S0V6PBT14R	4,4'-METHYLENEDIANILINE DIHYDROCHLORIDE	biolink:ChemicalEntitybiolink:PhysicalEssencebiolink:ChemicalOrDrugOrTreatmentbiolink:ChemicalEntityOrGeneOrGeneProductbiolink:ChemicalEntityOrProteinOrPolypeptidebiolink:NamedThingbiolink:PhysicalEssenceOrOccurrent	UNII:S0V6PBT14RINCHIKEY:MXNNTNFLRICRPT-UHFFFAOYSA-N		
CHEBI:27915	melamine	biolink:SmallMoleculebiolink:MolecularEntitybiolink:ChemicalEntitybiolink:PhysicalEssencebiolink:ChemicalOrDrugOrTreatmentbiolink:ChemicalEntityOrGeneOrGeneProductbiolink:ChemicalEntityOrProteinOrPolypeptidebiolink:NamedThingbiolink:PhysicalEssenceOrOccurrent	CHEBI:27915UNII:N3GP2YSD88PUBCHEM.COMPOUND:7955CHEMBL.COMPOUND:CHEMBL1231106MESH:C011907CAS:108-78-1CAS:203-615-4CAS:5432-64-4HMDB:HMDB0041922KEGG.COMPOUND:C08737INCHIKEY:JDSHMPZPIAZGSV-UHFFFAOYSA-NUMLS:C0065896RXCUI:1603851	92.8	A trimer of cyanamide, with a 1,3,5-triazine skeleton.
CHEBI:16602	trichloroethene	biolink:SmallMoleculebiolink:MolecularEntitybiolink:ChemicalEntitybiolink:PhysicalEssencebiolink:ChemicalOrDrugOrTreatmentbiolink:ChemicalEntityOrGeneOrGeneProductbiolink:ChemicalEntityOrProteinOrPolypeptidebiolink:NamedThingbiolink:PhysicalEssenceOrOccurrent	CHEBI:16602UNII:290YE8AR51PUBCHEM.COMPOUND:6575CHEMBL.COMPOUND:CHEMBL279816DRUGBANK:DB13323MESH:D014241CAS:123919-09-5CAS:201-167-4CAS:79-01-6DrugCentral:3628HMDB:HMDB0029593KEGG.COMPOUND:C06790INCHIKEY:XSTXAVWGXDQKEL-UHFFFAOYSA-NUMLS:C0040905RXCUI:2534464	88.2	A member of the class of  chloroethenes that is ethene substituted by chloro groups at positions 1, 1 and 2.
CHEBI:82409	Bis(2-chloro-1-methylethyl)ether	biolink:SmallMoleculebiolink:MolecularEntitybiolink:ChemicalEntitybiolink:PhysicalEssencebiolink:ChemicalOrDrugOrTreatmentbiolink:ChemicalEntityOrGeneOrGeneProductbiolink:ChemicalEntityOrProteinOrPolypeptidebiolink:NamedThingbiolink:PhysicalEssenceOrOccurrent	CHEBI:82409UNII:0JJZ8LER32PUBCHEM.COMPOUND:7944CHEMBL.COMPOUND:CHEMBL1403227MESH:C052560CAS:108-60-1CAS:52438-91-2KEGG.COMPOUND:C19350INCHIKEY:QCFYJCYNJLBDRT-UHFFFAOYSA-NUMLS:C0630810	95.4	
CHEBI:79736	ziram	biolink:MolecularMixturebiolink:ChemicalMixturebiolink:ChemicalEntitybiolink:PhysicalEssencebiolink:ChemicalOrDrugOrTreatmentbiolink:ChemicalEntityOrGeneOrGeneProductbiolink:ChemicalEntityOrProteinOrPolypeptidebiolink:NamedThingbiolink:PhysicalEssenceOrOccurrent	CHEBI:79736UNII:73D8UA974JPUBCHEM.COMPOUND:8722PUBCHEM.COMPOUND:3485262CHEMBL.COMPOUND:CHEMBL1519327MESH:D015039CAS:205-288-3KEGG.COMPOUND:C15229INCHIKEY:DUBNHZYBDBBJHD-UHFFFAOYSA-LUMLS:C0043505	100.0	A dithiocarbamate salt that is the zinc salt of dimethyldithiocarbamic acid. It is a broad-spectrum fungicide and bird and animal repellent that is also used to accelerate the vulcanisation of rubber.
CHEBI:34024	1,1,1,2-tetrachloroethane	biolink:SmallMoleculebiolink:MolecularEntitybiolink:ChemicalEntitybiolink:PhysicalEssencebiolink:ChemicalOrDrugOrTreatmentbiolink:ChemicalEntityOrGeneOrGeneProductbiolink:ChemicalEntityOrProteinOrPolypeptidebiolink:NamedThingbiolink:PhysicalEssenceOrOccurrent	CHEBI:34024UNII:0S5MKE574XPUBCHEM.COMPOUND:12418CHEMBL.COMPOUND:CHEMBL155816MESH:C031336CAS:23425-39-0CAS:25322-20-7CAS:630-20-6HMDB:HMDB0244034KEGG.COMPOUND:C14705INCHIKEY:QVLAWKAXOMEXPM-UHFFFAOYSA-NUMLS:C0043695	95.4	
CHEBI:10106	zearalenone	biolink:SmallMoleculebiolink:MolecularEntitybiolink:ChemicalEntitybiolink:PhysicalEssencebiolink:ChemicalOrDrugOrTreatmentbiolink:ChemicalEntityOrGeneOrGeneProductbiolink:ChemicalEntityOrProteinOrPolypeptidebiolink:NamedThingbiolink:PhysicalEssenceOrOccurrent	CHEBI:10106UNII:5W827M159JPUBCHEM.COMPOUND:5281576CHEMBL.COMPOUND:CHEMBL454173MESH:D015025CAS:17924-92-4KEGG.COMPOUND:C09981INCHIKEY:MBMQEIFVQACCCH-QBODLPLBSA-NUMLS:C0043454	88.2	A macrolide comprising a fourteen-membered lactone fused to 1,3-dihydroxybenzene; a potent estrogenic metabolite produced by some Giberella species.
CHEBI:73224	allyl isothiocyanate	biolink:SmallMoleculebiolink:MolecularEntitybiolink:ChemicalEntitybiolink:PhysicalEssencebiolink:ChemicalOrDrugOrTreatmentbiolink:ChemicalEntityOrGeneOrGeneProductbiolink:ChemicalEntityOrProteinOrPolypeptidebiolink:NamedThingbiolink:PhysicalEssenceOrOccurrent	CHEBI:73224UNII:BN34FX42G3PUBCHEM.COMPOUND:5971CHEMBL.COMPOUND:CHEMBL233248MESH:C004471CAS:200-309-2CAS:57-06-7GTOPDB:2420HMDB:HMDB0005843KEGG.COMPOUND:C19317INCHIKEY:ZOJBYZNEUISWFT-UHFFFAOYSA-NUMLS:C0051231	100.0	An isothiocyanate with the formula CH2=CHCH2N=C=S. A colorless oil with boiling point 152degreeC, it is responsible for the pungent taste of mustard, horseradish, and wasabi.
CHEBI:76287	pentachloroethane	biolink:SmallMoleculebiolink:MolecularEntitybiolink:ChemicalEntitybiolink:PhysicalEssencebiolink:ChemicalOrDrugOrTreatmentbiolink:ChemicalEntityOrGeneOrGeneProductbiolink:ChemicalEntityOrProteinOrPolypeptidebiolink:NamedThingbiolink:PhysicalEssenceOrOccurrent	CHEBI:76287UNII:QOJ9TH7LDLPUBCHEM.COMPOUND:6419CHEMBL.COMPOUND:CHEMBL350040MESH:C016036CAS:200-925-1CAS:76-01-7HMDB:HMDB0256247KEGG.COMPOUND:C19496INCHIKEY:BNIXVQGCZULYKV-UHFFFAOYSA-NUMLS:C0070268	95.4	A member of the class of chloroethanes that is ethane in which five of the six hydrogens are replaced by chlorines. A non-flammable, high-boiling liquid (b.p. 161-162degreeC) with relative density 1.67 and an odour resembling that of chloroform, it is used as a solvent for oil and grease, in metal cleaning, and in the separation of coal from impurities.
PUBCHEM.COMPOUND:13297	Sudan I	biolink:SmallMoleculebiolink:MolecularEntitybiolink:ChemicalEntitybiolink:PhysicalEssencebiolink:ChemicalOrDrugOrTreatmentbiolink:ChemicalEntityOrGeneOrGeneProductbiolink:ChemicalEntityOrProteinOrPolypeptidebiolink:NamedThingbiolink:PhysicalEssenceOrOccurrent	PUBCHEM.COMPOUND:13297CAS:212-668-2CAS:40339-35-3CAS:71351-99-0CAS:842-07-9HMDB:HMDB0258557INCHIKEY:MRQIXHXHHPWVIL-UHFFFAOYSA-N		
INCHIKEY:POJOORKDYOPQLS-UHFFFAOYSA-L	POJOORKDYOPQLS-UHFFFAOYSA-L	biolink:NamedThing			
PUBCHEM.COMPOUND:17811	C.I. Disperse Yellow 3	biolink:SmallMoleculebiolink:MolecularEntitybiolink:ChemicalEntitybiolink:PhysicalEssencebiolink:ChemicalOrDrugOrTreatmentbiolink:ChemicalEntityOrGeneOrGeneProductbiolink:ChemicalEntityOrProteinOrPolypeptidebiolink:NamedThingbiolink:PhysicalEssenceOrOccurrent	PUBCHEM.COMPOUND:17811CAS:1032589-83-5CAS:220-600-8CAS:2832-40-8INCHIKEY:PXOZAFXVEWKXED-UHFFFAOYSA-N		
CHEBI:82447	2,6-Dichloro-para-phenylenediamine	biolink:SmallMoleculebiolink:MolecularEntitybiolink:ChemicalEntitybiolink:PhysicalEssencebiolink:ChemicalOrDrugOrTreatmentbiolink:ChemicalEntityOrGeneOrGeneProductbiolink:ChemicalEntityOrProteinOrPolypeptidebiolink:NamedThingbiolink:PhysicalEssenceOrOccurrent	CHEBI:82447UNII:Z4QJ0R1U1ZPUBCHEM.COMPOUND:11860CHEMBL.COMPOUND:CHEMBL551154MESH:C047378CAS:210-184-6CAS:609-20-1KEGG.COMPOUND:C19399INCHIKEY:HQCHAOKWWKLXQH-UHFFFAOYSA-NUMLS:C0045591	100.0	
CHEBI:82387	11-Aminoundecanoic acid	biolink:SmallMoleculebiolink:MolecularEntitybiolink:ChemicalEntitybiolink:PhysicalEssencebiolink:ChemicalOrDrugOrTreatmentbiolink:ChemicalEntityOrGeneOrGeneProductbiolink:ChemicalEntityOrProteinOrPolypeptidebiolink:NamedThingbiolink:PhysicalEssenceOrOccurrent	CHEBI:82387UNII:SFU34976HBPUBCHEM.COMPOUND:17083CHEMBL.COMPOUND:CHEMBL1903820MESH:C023820CAS:2432-99-7CAS:25035-04-5KEGG.COMPOUND:C19325INCHIKEY:GUOSQNAUYHMCRU-UHFFFAOYSA-NUMLS:C0044723	100.0	
CHEBI:34675	dioctyl adipate	biolink:SmallMoleculebiolink:MolecularEntitybiolink:ChemicalEntitybiolink:PhysicalEssencebiolink:ChemicalOrDrugOrTreatmentbiolink:ChemicalEntityOrGeneOrGeneProductbiolink:ChemicalEntityOrProteinOrPolypeptidebiolink:NamedThingbiolink:PhysicalEssenceOrOccurrent	CHEBI:34675UNII:MBY1SL921LPUBCHEM.COMPOUND:7641CHEMBL.COMPOUND:CHEMBL1414950MESH:C013966CAS:103-23-1CAS:203-090-1CAS:2072051-04-6CAS:686-861-9CAS:70147-21-6HMDB:HMDB0040270KEGG.COMPOUND:C14240INCHIKEY:SAOKZLXYCUGLFA-UHFFFAOYSA-NUMLS:C0058320RXCUI:2684993	100.0	A diester resulting from the formal condensation of the carboxy groups of adipic acid with 2-ethylhexan-1-ol. It is used as a plasticiser in the preparation of various polymers.
CHEBI:28534	1,2-dibromoethane	biolink:SmallMoleculebiolink:MolecularEntitybiolink:ChemicalEntitybiolink:PhysicalEssencebiolink:ChemicalOrDrugOrTreatmentbiolink:ChemicalEntityOrGeneOrGeneProductbiolink:ChemicalEntityOrProteinOrPolypeptidebiolink:NamedThingbiolink:PhysicalEssenceOrOccurrent	CHEBI:28534UNII:1N41638RNOPUBCHEM.COMPOUND:7839CHEMBL.COMPOUND:CHEMBL452370MESH:D015946CAS:106-93-4CAS:203-444-5HMDB:HMDB0060334KEGG.COMPOUND:C11088INCHIKEY:PAAZPARNPHGIKF-UHFFFAOYSA-NUMLS:C0015079	90.9	A bromoalkane that is ethane carrying bromo substituents at positions 1 and 2. It is produced by marine algae.
UNII:9V238C7BMX	Cytembena	biolink:MolecularMixturebiolink:ChemicalMixturebiolink:ChemicalEntitybiolink:PhysicalEssencebiolink:ChemicalOrDrugOrTreatmentbiolink:ChemicalEntityOrGeneOrGeneProductbiolink:ChemicalEntityOrProteinOrPolypeptidebiolink:NamedThingbiolink:PhysicalEssenceOrOccurrent	UNII:9V238C7BMXPUBCHEM.COMPOUND:23665583CHEMBL.COMPOUND:CHEMBL3182896CAS:21739-91-3INCHIKEY:DVDCIQWIGOVWEX-MLBSPLJJSA-M		
CHEBI:34044	1,2-Dibromo-3-chloropropane	biolink:SmallMoleculebiolink:MolecularEntitybiolink:ChemicalEntitybiolink:PhysicalEssencebiolink:ChemicalOrDrugOrTreatmentbiolink:ChemicalEntityOrGeneOrGeneProductbiolink:ChemicalEntityOrProteinOrPolypeptidebiolink:NamedThingbiolink:PhysicalEssenceOrOccurrent	CHEBI:34044UNII:96K0FD4803PUBCHEM.COMPOUND:7280CHEMBL.COMPOUND:CHEMBL1331743MESH:C007318CAS:67708-83-2CAS:96-12-8KEGG.COMPOUND:C14336INCHIKEY:WBEJYOJJBDISQU-UHFFFAOYSA-NUMLS:C0043801RXCUI:1367191	95.4	
CHEBI:34384	4-Aminophenyl ether	biolink:SmallMoleculebiolink:MolecularEntitybiolink:ChemicalEntitybiolink:PhysicalEssencebiolink:ChemicalOrDrugOrTreatmentbiolink:ChemicalEntityOrGeneOrGeneProductbiolink:ChemicalEntityOrProteinOrPolypeptidebiolink:NamedThingbiolink:PhysicalEssenceOrOccurrent	CHEBI:34384UNII:28DLB4Z70TPUBCHEM.COMPOUND:7579CHEMBL.COMPOUND:CHEMBL354663MESH:C015126CAS:101-80-4CAS:121509-79-3KEGG.COMPOUND:C14759INCHIKEY:HLBLWEWZXPIGSM-UHFFFAOYSA-NUMLS:C0057642	100.0	
CHEBI:81503	1,2,3,6,7,8-Hexachlorodibenzodioxin	biolink:SmallMoleculebiolink:MolecularEntitybiolink:ChemicalEntitybiolink:PhysicalEssencebiolink:ChemicalOrDrugOrTreatmentbiolink:ChemicalEntityOrGeneOrGeneProductbiolink:ChemicalEntityOrProteinOrPolypeptidebiolink:NamedThingbiolink:PhysicalEssenceOrOccurrent	CHEBI:81503UNII:B94L7A4G3DPUBCHEM.COMPOUND:42540MESH:C046838CAS:57653-85-7CAS:694-811-2HMDB:HMDB0244134KEGG.COMPOUND:C18101INCHIKEY:YCLUIPQDHHPDJJ-UHFFFAOYSA-NUMLS:C0043755	95.4	
PUBCHEM.COMPOUND:24011	CID 24011	biolink:SmallMoleculebiolink:MolecularEntitybiolink:ChemicalEntitybiolink:PhysicalEssencebiolink:ChemicalOrDrugOrTreatmentbiolink:ChemicalEntityOrGeneOrGeneProductbiolink:ChemicalEntityOrProteinOrPolypeptidebiolink:NamedThingbiolink:PhysicalEssenceOrOccurrent	PUBCHEM.COMPOUND:24011CAS:7446-34-6HMDB:HMDB0015106INCHIKEY:VIDTVPHHDGRGAF-UHFFFAOYSA-N		
PUBCHEM.COMPOUND:6881	3-Phenylprop-2-enyl 2-aminobenzoate	biolink:SmallMoleculebiolink:MolecularEntitybiolink:ChemicalEntitybiolink:PhysicalEssencebiolink:ChemicalOrDrugOrTreatmentbiolink:ChemicalEntityOrGeneOrGeneProductbiolink:ChemicalEntityOrProteinOrPolypeptidebiolink:NamedThingbiolink:PhysicalEssenceOrOccurrent	PUBCHEM.COMPOUND:6881CHEMBL.COMPOUND:CHEMBL3183749INCHIKEY:GABQNAFEZZDSCM-UHFFFAOYSA-N		
CHEBI:28487	Reserpine	biolink:SmallMoleculebiolink:MolecularEntitybiolink:ChemicalEntitybiolink:PhysicalEssencebiolink:ChemicalOrDrugOrTreatmentbiolink:ChemicalEntityOrGeneOrGeneProductbiolink:ChemicalEntityOrProteinOrPolypeptidebiolink:NamedThingbiolink:PhysicalEssenceOrOccurrent	CHEBI:28487UNII:8B1QWR724APUBCHEM.COMPOUND:5770CHEMBL.COMPOUND:CHEMBL772DRUGBANK:DB00206MESH:D012110CAS:200-047-9CAS:50-55-5DrugCentral:2370GTOPDB:4823HMDB:HMDB0014351KEGG.COMPOUND:C06539INCHIKEY:QEVHRUUCFGRFIF-MDEJGZGSSA-NUMLS:C0035179RXCUI:9260	95.4	An alkaloid found in the roots of Rauwolfia serpentina and R. vomitoria.
CHEBI:82509	para-Nitrosodiphenylamine	biolink:SmallMoleculebiolink:MolecularEntitybiolink:ChemicalEntitybiolink:PhysicalEssencebiolink:ChemicalOrDrugOrTreatmentbiolink:ChemicalEntityOrGeneOrGeneProductbiolink:ChemicalEntityOrProteinOrPolypeptidebiolink:NamedThingbiolink:PhysicalEssenceOrOccurrent	CHEBI:82509UNII:F7052989CVPUBCHEM.COMPOUND:9074CHEMBL.COMPOUND:CHEMBL1600998MESH:C023829CAS:156-10-5CAS:205-848-7KEGG.COMPOUND:C19479INCHIKEY:OIJHFHYPXWSVPF-UHFFFAOYSA-NUMLS:C0048633	100.0	
CHEBI:82422	5-Chloro-ortho-toluidine	biolink:SmallMoleculebiolink:MolecularEntitybiolink:ChemicalEntitybiolink:PhysicalEssencebiolink:ChemicalOrDrugOrTreatmentbiolink:ChemicalEntityOrGeneOrGeneProductbiolink:ChemicalEntityOrProteinOrPolypeptidebiolink:NamedThingbiolink:PhysicalEssenceOrOccurrent	CHEBI:82422UNII:LW5K546DTRPUBCHEM.COMPOUND:7260CHEMBL.COMPOUND:CHEMBL553181MESH:C040084CAS:144204-02-4CAS:202-452-6CAS:95-79-4KEGG.COMPOUND:C19366INCHIKEY:WRZOMWDJOLIVQP-UHFFFAOYSA-NUMLS:C0620230	100.0	
CHEBI:34370	MICHLER'S BASE	biolink:SmallMoleculebiolink:MolecularEntitybiolink:ChemicalEntitybiolink:PhysicalEssencebiolink:ChemicalOrDrugOrTreatmentbiolink:ChemicalEntityOrGeneOrGeneProductbiolink:ChemicalEntityOrProteinOrPolypeptidebiolink:NamedThingbiolink:PhysicalEssenceOrOccurrent	CHEBI:34370UNII:L6SPP9K4WQPUBCHEM.COMPOUND:7567CHEMBL.COMPOUND:CHEMBL1613260MESH:C035472CAS:101-61-1CAS:137198-51-7CAS:30135-64-9KEGG.COMPOUND:C14135INCHIKEY:JNRLEMMIVRBKJE-UHFFFAOYSA-NUMLS:C0067320	100.0	
CHEBI:7590	nitrofen	biolink:SmallMoleculebiolink:MolecularEntitybiolink:ChemicalEntitybiolink:PhysicalEssencebiolink:ChemicalOrDrugOrTreatmentbiolink:ChemicalEntityOrGeneOrGeneProductbiolink:ChemicalEntityOrProteinOrPolypeptidebiolink:NamedThingbiolink:PhysicalEssenceOrOccurrent	CHEBI:7590UNII:N71UYG034APUBCHEM.COMPOUND:15787CHEMBL.COMPOUND:CHEMBL561004MESH:C000628544MESH:C007350CAS:1836-75-5CAS:217-406-0HMDB:HMDB0041951INCHIKEY:XITQUSLLOSKDTB-UHFFFAOYSA-NUMLS:C0068833	95.4	
CHEBI:82347	4,4'-Bis(dimethylamino)benzophenone	biolink:SmallMoleculebiolink:MolecularEntitybiolink:ChemicalEntitybiolink:PhysicalEssencebiolink:ChemicalOrDrugOrTreatmentbiolink:ChemicalEntityOrGeneOrGeneProductbiolink:ChemicalEntityOrProteinOrPolypeptidebiolink:NamedThingbiolink:PhysicalEssenceOrOccurrent	CHEBI:82347UNII:3Z2SN6B347PUBCHEM.COMPOUND:7031CHEMBL.COMPOUND:CHEMBL15137MESH:C014682CAS:202-027-5CAS:90-94-8KEGG.COMPOUND:C19266INCHIKEY:VVBLNCFGVYUYGU-UHFFFAOYSA-NUMLS:C0066505	100.0	
CHEMBL.COMPOUND:CHEMBL1585396	LNHURPJLTHSVMU-SFECMWDFSA-N	biolink:SmallMoleculebiolink:MolecularEntitybiolink:ChemicalEntitybiolink:PhysicalEssencebiolink:ChemicalOrDrugOrTreatmentbiolink:ChemicalEntityOrGeneOrGeneProductbiolink:ChemicalEntityOrProteinOrPolypeptidebiolink:NamedThingbiolink:PhysicalEssenceOrOccurrent	CHEMBL.COMPOUND:CHEMBL1585396INCHIKEY:LNHURPJLTHSVMU-SFECMWDFSA-N		
CHEBI:76394	2-nitro-p-phenylenediamine	biolink:SmallMoleculebiolink:MolecularEntitybiolink:ChemicalEntitybiolink:PhysicalEssencebiolink:ChemicalOrDrugOrTreatmentbiolink:ChemicalEntityOrGeneOrGeneProductbiolink:ChemicalEntityOrProteinOrPolypeptidebiolink:NamedThingbiolink:PhysicalEssenceOrOccurrent	CHEBI:76394UNII:PV83F3C01QPUBCHEM.COMPOUND:4338370CHEMBL.COMPOUND:CHEMBL353971MESH:C014706CAS:226-164-5CAS:5307-14-2KEGG.COMPOUND:C19385INCHIKEY:HVHNMNGARPCGGD-UHFFFAOYSA-NUMLS:C0046429	100.0	A primary amino compound that is p-phenylenediamine in which one of the hydrogens attached to the benzene ring is replaced by a nitro group. It is a cosmetic hair dye intermediate that is used in permanent hair colouring products (diluted 1:1 with an oxidising agent prior to application).
CHEBI:34875	N-Nitrosodiphenylamine	biolink:SmallMoleculebiolink:MolecularEntitybiolink:ChemicalEntitybiolink:PhysicalEssencebiolink:ChemicalOrDrugOrTreatmentbiolink:ChemicalEntityOrGeneOrGeneProductbiolink:ChemicalEntityOrProteinOrPolypeptidebiolink:NamedThingbiolink:PhysicalEssenceOrOccurrent	CHEBI:34875UNII:AP2V89J1DAPUBCHEM.COMPOUND:6838CHEMBL.COMPOUND:CHEMBL165491MESH:C023649CAS:86-30-6HMDB:HMDB0255204KEGG.COMPOUND:C14742INCHIKEY:UBUCNCOMADRQHX-UHFFFAOYSA-NUMLS:C0068208	95.4	
CHEBI:34237	2,4-diaminotoluene	biolink:SmallMoleculebiolink:MolecularEntitybiolink:ChemicalEntitybiolink:PhysicalEssencebiolink:ChemicalOrDrugOrTreatmentbiolink:ChemicalEntityOrGeneOrGeneProductbiolink:ChemicalEntityOrProteinOrPolypeptidebiolink:NamedThingbiolink:PhysicalEssenceOrOccurrent	CHEBI:34237UNII:IS1AKN4HYBPUBCHEM.COMPOUND:7261CHEMBL.COMPOUND:CHEMBL541230MESH:C010914CAS:202-453-1CAS:71111-07-4CAS:91696-44-5CAS:95-80-7HMDB:HMDB0041799KEGG.COMPOUND:C14401INCHIKEY:VOZKAJLKRJDJLL-UHFFFAOYSA-NUMLS:C0045479	95.4	An aminotoluene that is para-toluidine with an additional amino group at position 2.
CHEBI:82544	2,4,5-Trimethylaniline	biolink:SmallMoleculebiolink:MolecularEntitybiolink:ChemicalEntitybiolink:PhysicalEssencebiolink:ChemicalOrDrugOrTreatmentbiolink:ChemicalEntityOrGeneOrGeneProductbiolink:ChemicalEntityOrProteinOrPolypeptidebiolink:NamedThingbiolink:PhysicalEssenceOrOccurrent	CHEBI:82544UNII:00KUO98F97PUBCHEM.COMPOUND:8717CHEMBL.COMPOUND:CHEMBL541229MESH:C034089CAS:137-17-7CAS:205-282-0KEGG.COMPOUND:C19539INCHIKEY:BMIPMKQAAJKBKP-UHFFFAOYSA-NUMLS:C0616062	100.0	
CHEBI:28755	2,4,6-trichlorophenol	biolink:SmallMoleculebiolink:MolecularEntitybiolink:ChemicalEntitybiolink:PhysicalEssencebiolink:ChemicalOrDrugOrTreatmentbiolink:ChemicalEntityOrGeneOrGeneProductbiolink:ChemicalEntityOrProteinOrPolypeptidebiolink:NamedThingbiolink:PhysicalEssenceOrOccurrent	CHEBI:28755UNII:MHS8C5BAUZPUBCHEM.COMPOUND:6914CHEMBL.COMPOUND:CHEMBL309917MESH:C024564CAS:201-795-9CAS:88-06-2KEGG.COMPOUND:C07098INCHIKEY:LINPIYWFGCPVIE-UHFFFAOYSA-NUMLS:C0045437	92.8	A trichlorophenol with phenolic substituents on positions 2, 4 and 6.
CHEBI:190358	azobenzene	biolink:SmallMoleculebiolink:MolecularEntitybiolink:ChemicalEntitybiolink:PhysicalEssencebiolink:ChemicalOrDrugOrTreatmentbiolink:ChemicalEntityOrGeneOrGeneProductbiolink:ChemicalEntityOrProteinOrPolypeptidebiolink:NamedThingbiolink:PhysicalEssenceOrOccurrent	CHEBI:190358PUBCHEM.COMPOUND:2272CHEMBL.COMPOUND:CHEMBL3184266MESH:C009850CAS:103-33-3CAS:1080-16-6CAS:17082-12-1CAS:203-102-5HMDB:HMDB0248813INCHIKEY:DMLAVOWQYNRWNQ-UHFFFAOYSA-NUMLS:C0052802	84.8	A molecule whose structure comprises two phenyl rings linked by a N=N double bond; the parent compound of the azobenzene class of compounds.
UNII:DX2X117B81	O-TOLUIDINE HYDROCHLORIDE	biolink:MolecularMixturebiolink:ChemicalMixturebiolink:ChemicalEntitybiolink:PhysicalEssencebiolink:ChemicalOrDrugOrTreatmentbiolink:ChemicalEntityOrGeneOrGeneProductbiolink:ChemicalEntityOrProteinOrPolypeptidebiolink:NamedThingbiolink:PhysicalEssenceOrOccurrent	UNII:DX2X117B81CHEMBL.COMPOUND:CHEMBL1579403INCHIKEY:OGVXWEOZQMAAIM-UHFFFAOYSA-N		
CHEBI:82448	N,N'-diethylthiourea	biolink:SmallMoleculebiolink:MolecularEntitybiolink:ChemicalEntitybiolink:PhysicalEssencebiolink:ChemicalOrDrugOrTreatmentbiolink:ChemicalEntityOrGeneOrGeneProductbiolink:ChemicalEntityOrProteinOrPolypeptidebiolink:NamedThingbiolink:PhysicalEssenceOrOccurrent	CHEBI:82448UNII:J2RDK7O9MZPUBCHEM.COMPOUND:2735009CHEMBL.COMPOUND:CHEMBL1611590CAS:105-55-5KEGG.COMPOUND:C19400INCHIKEY:FLVIGYVXZHLUHP-UHFFFAOYSA-N	100.0	Thiourea in which each nitrogen carries an ethyl substituent.
CHEBI:82500	Nithiazide	biolink:SmallMoleculebiolink:MolecularEntitybiolink:ChemicalEntitybiolink:PhysicalEssencebiolink:ChemicalOrDrugOrTreatmentbiolink:ChemicalEntityOrGeneOrGeneProductbiolink:ChemicalEntityOrProteinOrPolypeptidebiolink:NamedThingbiolink:PhysicalEssenceOrOccurrent	CHEBI:82500UNII:G9PO1G721TPUBCHEM.COMPOUND:8776CHEMBL.COMPOUND:CHEMBL428786MESH:C038975CAS:139-94-6CAS:205-387-1KEGG.COMPOUND:C19468INCHIKEY:FQSUTLQHSDLLAN-UHFFFAOYSA-NUMLS:C0619318	100.0	
CHEBI:34258	2-Aminoanthraquinone	biolink:SmallMoleculebiolink:MolecularEntitybiolink:ChemicalEntitybiolink:PhysicalEssencebiolink:ChemicalOrDrugOrTreatmentbiolink:ChemicalEntityOrGeneOrGeneProductbiolink:ChemicalEntityOrProteinOrPolypeptidebiolink:NamedThingbiolink:PhysicalEssenceOrOccurrent	CHEBI:34258UNII:65Z03V2Z09PUBCHEM.COMPOUND:8341CHEMBL.COMPOUND:CHEMBL84685MESH:C022970CAS:117-79-3CAS:204-208-4KEGG.COMPOUND:C14444INCHIKEY:XOGPDSATLSAZEK-UHFFFAOYSA-NUMLS:C0045870	95.4	
CHEBI:53003	naphthalene-1,5-diamine	biolink:SmallMoleculebiolink:MolecularEntitybiolink:ChemicalEntitybiolink:PhysicalEssencebiolink:ChemicalOrDrugOrTreatmentbiolink:ChemicalEntityOrGeneOrGeneProductbiolink:ChemicalEntityOrProteinOrPolypeptidebiolink:NamedThingbiolink:PhysicalEssenceOrOccurrent	CHEBI:53003UNII:13PD3J52LKPUBCHEM.COMPOUND:16720CHEMBL.COMPOUND:CHEMBL538965MESH:C034086MESH:C510889CAS:2243-62-1HMDB:HMDB0244231KEGG.COMPOUND:C19463INCHIKEY:KQSABULTKYLFEV-UHFFFAOYSA-NUMLS:C0616058UMLS:C1722368	100.0	A naphthalenediamine compound having amino substituents in the 1- and 5-positions.
CHEBI:82307	para-Cresidine	biolink:SmallMoleculebiolink:MolecularEntitybiolink:ChemicalEntitybiolink:PhysicalEssencebiolink:ChemicalOrDrugOrTreatmentbiolink:ChemicalEntityOrGeneOrGeneProductbiolink:ChemicalEntityOrProteinOrPolypeptidebiolink:NamedThingbiolink:PhysicalEssenceOrOccurrent	CHEBI:82307UNII:4C11L78UR3PUBCHEM.COMPOUND:8445CHEMBL.COMPOUND:CHEMBL398755MESH:C013453CAS:120-71-8CAS:204-419-1HMDB:HMDB0245200KEGG.COMPOUND:C19216INCHIKEY:WXWCDTXEKCVRRO-UHFFFAOYSA-NUMLS:C0056481	95.4	
UNII:6813U5R1GP	Pivalolactone	biolink:SmallMoleculebiolink:MolecularEntitybiolink:ChemicalEntitybiolink:PhysicalEssencebiolink:ChemicalOrDrugOrTreatmentbiolink:ChemicalEntityOrGeneOrGeneProductbiolink:ChemicalEntityOrProteinOrPolypeptidebiolink:NamedThingbiolink:PhysicalEssenceOrOccurrent	UNII:6813U5R1GPPUBCHEM.COMPOUND:16059CAS:1955-45-9INCHIKEY:ULKFLOVGORAZDI-UHFFFAOYSA-N		
CHEBI:82548	Vat Yellow 4	biolink:SmallMoleculebiolink:MolecularEntitybiolink:ChemicalEntitybiolink:PhysicalEssencebiolink:ChemicalOrDrugOrTreatmentbiolink:ChemicalEntityOrGeneOrGeneProductbiolink:ChemicalEntityOrProteinOrPolypeptidebiolink:NamedThingbiolink:PhysicalEssenceOrOccurrent	CHEBI:82548UNII:8XO6A4G496PUBCHEM.COMPOUND:31412MESH:C065025CAS:128-66-5KEGG.COMPOUND:C19545INCHIKEY:ZTWQZJLUUZHJGS-UHFFFAOYSA-NUMLS:C0642094RXCUI:2621121	95.4	
UNII:F1EYM62K39	3'-Nitro-p-acetophenetidide	biolink:SmallMoleculebiolink:MolecularEntitybiolink:ChemicalEntitybiolink:PhysicalEssencebiolink:ChemicalOrDrugOrTreatmentbiolink:ChemicalEntityOrGeneOrGeneProductbiolink:ChemicalEntityOrProteinOrPolypeptidebiolink:NamedThingbiolink:PhysicalEssenceOrOccurrent	UNII:F1EYM62K39PUBCHEM.COMPOUND:15685CHEMBL.COMPOUND:CHEMBL1563395CAS:1777-84-0INCHIKEY:UOIPFPSGIAWJAQ-UHFFFAOYSA-N		
CHEBI:16598	DDE	biolink:SmallMoleculebiolink:MolecularEntitybiolink:ChemicalEntitybiolink:PhysicalEssencebiolink:ChemicalOrDrugOrTreatmentbiolink:ChemicalEntityOrGeneOrGeneProductbiolink:ChemicalEntityOrProteinOrPolypeptidebiolink:NamedThingbiolink:PhysicalEssenceOrOccurrent	CHEBI:16598UNII:4M7FS82U08PUBCHEM.COMPOUND:3035CHEMBL.COMPOUND:CHEMBL363207MESH:D003633CAS:68679-99-2CAS:72-55-9HMDB:HMDB0304759KEGG.COMPOUND:C04596INCHIKEY:UCNVFOCBFJOQAL-UHFFFAOYSA-NUMLS:C0011038	92.8	A chlorophenylethylene that is ethylene substituted by two 4-chlorophenyl groups at position 1 and two chlorine atoms at position 2.
UNII:576R1193YL	ANILINE HYDROCHLORIDE	biolink:MolecularMixturebiolink:ChemicalMixturebiolink:ChemicalEntitybiolink:PhysicalEssencebiolink:ChemicalOrDrugOrTreatmentbiolink:ChemicalEntityOrGeneOrGeneProductbiolink:ChemicalEntityOrProteinOrPolypeptidebiolink:NamedThingbiolink:PhysicalEssenceOrOccurrent	UNII:576R1193YLCHEMBL.COMPOUND:CHEMBL3182415INCHIKEY:MMCPOSDMTGQNKG-UHFFFAOYSA-N		
UNII:5MHD6IL0A4	TRIMETHYLTHIOUREA	biolink:SmallMoleculebiolink:MolecularEntitybiolink:ChemicalEntitybiolink:PhysicalEssencebiolink:ChemicalOrDrugOrTreatmentbiolink:ChemicalEntityOrGeneOrGeneProductbiolink:ChemicalEntityOrProteinOrPolypeptidebiolink:NamedThingbiolink:PhysicalEssenceOrOccurrent	UNII:5MHD6IL0A4PUBCHEM.COMPOUND:2779938CHEMBL.COMPOUND:CHEMBL3183484CAS:2489-77-2HMDB:HMDB0259244INCHIKEY:JAEZSIYNWDWMMN-UHFFFAOYSA-N		
CHEBI:82451	3,3'-Dimethoxybenzidine-4,4'-diisocyanate	biolink:SmallMoleculebiolink:MolecularEntitybiolink:ChemicalEntitybiolink:PhysicalEssencebiolink:ChemicalOrDrugOrTreatmentbiolink:ChemicalEntityOrGeneOrGeneProductbiolink:ChemicalEntityOrProteinOrPolypeptidebiolink:NamedThingbiolink:PhysicalEssenceOrOccurrent	CHEBI:82451UNII:5AC9L5Y28YPUBCHEM.COMPOUND:7069CHEMBL.COMPOUND:CHEMBL1487677CAS:627-518-5CAS:91-93-0KEGG.COMPOUND:C19403INCHIKEY:QZWKEPYTBWZJJA-UHFFFAOYSA-N	95.4	
CHEBI:48977	2-methoxy-5-nitroaniline	biolink:SmallMoleculebiolink:MolecularEntitybiolink:ChemicalEntitybiolink:PhysicalEssencebiolink:ChemicalOrDrugOrTreatmentbiolink:ChemicalEntityOrGeneOrGeneProductbiolink:ChemicalEntityOrProteinOrPolypeptidebiolink:NamedThingbiolink:PhysicalEssenceOrOccurrent	CHEBI:48977UNII:THY70UTM0OPUBCHEM.COMPOUND:7447CHEMBL.COMPOUND:CHEMBL319398MESH:C034087CAS:99-59-2KEGG.COMPOUND:C19469INCHIKEY:NIPDVSLAMPAWTP-UHFFFAOYSA-NUMLS:C0049333	95.4	
CHEBI:82267	sulfoxide	biolink:SmallMoleculebiolink:MolecularEntitybiolink:ChemicalEntitybiolink:PhysicalEssencebiolink:ChemicalOrDrugOrTreatmentbiolink:ChemicalEntityOrGeneOrGeneProductbiolink:ChemicalEntityOrProteinOrPolypeptidebiolink:NamedThingbiolink:PhysicalEssenceOrOccurrent	CHEBI:82267UNII:WOR3CS513RPUBCHEM.COMPOUND:8442CHEMBL.COMPOUND:CHEMBL3184866MESH:C005746CAS:120-62-7CAS:204-412-3HMDB:HMDB0258607KEGG.COMPOUND:C19147INCHIKEY:ATTZFSUZZUNHBP-UHFFFAOYSA-NUMLS:C0851343	100.0	
CHEBI:82350	5-Nitroacenaphthene	biolink:SmallMoleculebiolink:MolecularEntitybiolink:ChemicalEntitybiolink:PhysicalEssencebiolink:ChemicalOrDrugOrTreatmentbiolink:ChemicalEntityOrGeneOrGeneProductbiolink:ChemicalEntityOrProteinOrPolypeptidebiolink:NamedThingbiolink:PhysicalEssenceOrOccurrent	CHEBI:82350UNII:F023F6C79XPUBCHEM.COMPOUND:11769CHEMBL.COMPOUND:CHEMBL423081MESH:C033999CAS:602-87-9KEGG.COMPOUND:C19269INCHIKEY:CUARLQDWYSRQDF-UHFFFAOYSA-NUMLS:C0049334	100.0	
UNII:A7V95AYT2T	5-Nitrobenzimidazole	biolink:SmallMoleculebiolink:MolecularEntitybiolink:ChemicalEntitybiolink:PhysicalEssencebiolink:ChemicalOrDrugOrTreatmentbiolink:ChemicalEntityOrGeneOrGeneProductbiolink:ChemicalEntityOrProteinOrPolypeptidebiolink:NamedThingbiolink:PhysicalEssenceOrOccurrent	UNII:A7V95AYT2TPUBCHEM.COMPOUND:7195CHEMBL.COMPOUND:CHEMBL164921CAS:202-341-2CAS:94-52-0INCHIKEY:XPAZGLFMMUODDK-UHFFFAOYSA-N		
CHEBI:82218	Sulfallate	biolink:SmallMoleculebiolink:MolecularEntitybiolink:ChemicalEntitybiolink:PhysicalEssencebiolink:ChemicalOrDrugOrTreatmentbiolink:ChemicalEntityOrGeneOrGeneProductbiolink:ChemicalEntityOrProteinOrPolypeptidebiolink:NamedThingbiolink:PhysicalEssenceOrOccurrent	CHEBI:82218UNII:7U7BI7173JPUBCHEM.COMPOUND:7216CHEMBL.COMPOUND:CHEMBL538146MESH:C016122CAS:202-388-9CAS:95-06-7KEGG.COMPOUND:C19096INCHIKEY:XJCLWVXTCRQIDI-UHFFFAOYSA-NUMLS:C0054976	100.0	
UNII:8W076B0J2D	N-(3-amino-4-ethoxyphenyl)acetamide	biolink:SmallMoleculebiolink:MolecularEntitybiolink:ChemicalEntitybiolink:PhysicalEssencebiolink:ChemicalOrDrugOrTreatmentbiolink:ChemicalEntityOrGeneOrGeneProductbiolink:ChemicalEntityOrProteinOrPolypeptidebiolink:NamedThingbiolink:PhysicalEssenceOrOccurrent	UNII:8W076B0J2DPUBCHEM.COMPOUND:28207CHEMBL.COMPOUND:CHEMBL1531976CAS:17026-81-2CAS:241-100-6INCHIKEY:XTXFAVHDQCHWCS-UHFFFAOYSA-N		
CHEBI:82382	1-Amino-2-methylanthraquinone	biolink:SmallMoleculebiolink:MolecularEntitybiolink:ChemicalEntitybiolink:PhysicalEssencebiolink:ChemicalOrDrugOrTreatmentbiolink:ChemicalEntityOrGeneOrGeneProductbiolink:ChemicalEntityOrProteinOrPolypeptidebiolink:NamedThingbiolink:PhysicalEssenceOrOccurrent	CHEBI:82382UNII:RHN157F30QPUBCHEM.COMPOUND:6702CHEMBL.COMPOUND:CHEMBL1413787MESH:C034090CAS:65098-59-1CAS:82-28-0HMDB:HMDB0243816KEGG.COMPOUND:C19320INCHIKEY:ZLCUIOWQYBYEBG-UHFFFAOYSA-NUMLS:C0044271	95.4	
CHEBI:66891	5-nitro-o-toluidine	biolink:SmallMoleculebiolink:MolecularEntitybiolink:ChemicalEntitybiolink:PhysicalEssencebiolink:ChemicalOrDrugOrTreatmentbiolink:ChemicalEntityOrGeneOrGeneProductbiolink:ChemicalEntityOrProteinOrPolypeptidebiolink:NamedThingbiolink:PhysicalEssenceOrOccurrent	CHEBI:66891UNII:433MYH2DWMPUBCHEM.COMPOUND:7444CHEMBL.COMPOUND:CHEMBL324642MESH:C065026CAS:202-765-8CAS:99-55-8KEGG.COMPOUND:C16398INCHIKEY:DSBIJCMXAIKKKI-UHFFFAOYSA-NUMLS:C0642097	95.4	A C-nitro compound in which the nitro compound is meta to the amino group and para to the methyl group of o-toluidine.
CHEBI:82430	meta-Cresidine	biolink:SmallMoleculebiolink:MolecularEntitybiolink:ChemicalEntitybiolink:PhysicalEssencebiolink:ChemicalOrDrugOrTreatmentbiolink:ChemicalEntityOrGeneOrGeneProductbiolink:ChemicalEntityOrProteinOrPolypeptidebiolink:NamedThingbiolink:PhysicalEssenceOrOccurrent	CHEBI:82430UNII:F0E8Y56GUKPUBCHEM.COMPOUND:7610CHEMBL.COMPOUND:CHEMBL1361784MESH:C034085CAS:102-50-1CAS:203-036-7KEGG.COMPOUND:C19376INCHIKEY:CDGNLUSBENXDGG-UHFFFAOYSA-NUMLS:C0616057	100.0	
UNII:V66QK963ED	cupferron	biolink:MolecularMixturebiolink:ChemicalMixturebiolink:ChemicalEntitybiolink:PhysicalEssencebiolink:ChemicalOrDrugOrTreatmentbiolink:ChemicalEntityOrGeneOrGeneProductbiolink:ChemicalEntityOrProteinOrPolypeptidebiolink:NamedThingbiolink:PhysicalEssenceOrOccurrent	UNII:V66QK963EDPUBCHEM.COMPOUND:2724103MESH:C031808INCHIKEY:GDEBSAWXIHEMNF-UHFFFAOYSA-OUMLS:C0056590		
CHEBI:71419	phenazopyridine hydrochloride	biolink:MolecularMixturebiolink:ChemicalMixturebiolink:ChemicalEntitybiolink:PhysicalEssencebiolink:ChemicalOrDrugOrTreatmentbiolink:ChemicalEntityOrGeneOrGeneProductbiolink:ChemicalEntityOrProteinOrPolypeptidebiolink:NamedThingbiolink:PhysicalEssenceOrOccurrent	CHEBI:71419PUBCHEM.COMPOUND:8691CHEMBL.COMPOUND:CHEMBL1606101CAS:136-40-3CAS:205-243-8INCHIKEY:QQBPIHBUCMDKFG-UHFFFAOYSA-N	100.0	A hydrochloride obtained by combining phenazopyridine with one equivalent of hydrochloric acid. A local anesthetic that has topical analgesic effect on mucosa lining of the urinary tract. Its use is limited by problems with toxicity (primarily blood disorders) and potential carcinogenicity.
UNII:BQA8FYP4YN	3-CHLOROMETHYLPYRIDINE HYDROCHLORIDE	biolink:MolecularMixturebiolink:ChemicalMixturebiolink:ChemicalEntitybiolink:PhysicalEssencebiolink:ChemicalOrDrugOrTreatmentbiolink:ChemicalEntityOrGeneOrGeneProductbiolink:ChemicalEntityOrProteinOrPolypeptidebiolink:NamedThingbiolink:PhysicalEssenceOrOccurrent	UNII:BQA8FYP4YNCHEMBL.COMPOUND:CHEMBL3182495INCHIKEY:UZGLOGCJCWBBIV-UHFFFAOYSA-N		
CHEBI:82385	4-Amino-2-nitrophenol	biolink:SmallMoleculebiolink:MolecularEntitybiolink:ChemicalEntitybiolink:PhysicalEssencebiolink:ChemicalOrDrugOrTreatmentbiolink:ChemicalEntityOrGeneOrGeneProductbiolink:ChemicalEntityOrProteinOrPolypeptidebiolink:NamedThingbiolink:PhysicalEssenceOrOccurrent	CHEBI:82385UNII:N3499RCQ6BPUBCHEM.COMPOUND:3417419CHEMBL.COMPOUND:CHEMBL1516868MESH:C013399CAS:119-34-6CAS:204-316-1HMDB:HMDB0246341KEGG.COMPOUND:C19323INCHIKEY:WHODQVWERNSQEO-UHFFFAOYSA-NUMLS:C0048000	100.0	
UNII:12C4938KM9	3-AMINO-9-ETHYLCARBAZOLE HYDROCHLORIDE	biolink:MolecularMixturebiolink:ChemicalMixturebiolink:ChemicalEntitybiolink:PhysicalEssencebiolink:ChemicalOrDrugOrTreatmentbiolink:ChemicalEntityOrGeneOrGeneProductbiolink:ChemicalEntityOrProteinOrPolypeptidebiolink:NamedThingbiolink:PhysicalEssenceOrOccurrent	UNII:12C4938KM9CHEMBL.COMPOUND:CHEMBL3182857INCHIKEY:UUYSTZWIFZYHRM-UHFFFAOYSA-N		
UNII:1G3CS09TUK	HYDRAZOBENZENE	biolink:SmallMoleculebiolink:MolecularEntitybiolink:ChemicalEntitybiolink:PhysicalEssencebiolink:ChemicalOrDrugOrTreatmentbiolink:ChemicalEntityOrGeneOrGeneProductbiolink:ChemicalEntityOrProteinOrPolypeptidebiolink:NamedThingbiolink:PhysicalEssenceOrOccurrent	UNII:1G3CS09TUKPUBCHEM.COMPOUND:31222CHEMBL.COMPOUND:CHEMBL558459MESH:C032041CAS:122-66-7CAS:204-563-5CAS:38622-18-3INCHIKEY:YBQZXXMEJHZYMB-UHFFFAOYSA-NUMLS:C0063069		
CHEBI:34692	dicofol	biolink:SmallMoleculebiolink:MolecularEntitybiolink:ChemicalEntitybiolink:PhysicalEssencebiolink:ChemicalOrDrugOrTreatmentbiolink:ChemicalEntityOrGeneOrGeneProductbiolink:ChemicalEntityOrProteinOrPolypeptidebiolink:NamedThingbiolink:PhysicalEssenceOrOccurrent	CHEBI:34692UNII:W4WMM0WS91PUBCHEM.COMPOUND:8268CHEMBL.COMPOUND:CHEMBL228511MESH:D004010CAS:115-32-2CAS:204-082-0HMDB:HMDB0251207KEGG.COMPOUND:C14301INCHIKEY:UOAMTSKGCBMZTC-UHFFFAOYSA-NUMLS:C0012098	95.4	A tertiary alcohol that is DDT in which the benzylic hydrogen has been replaced by a hydroxy group.
CHEMBL.COMPOUND:CHEMBL3183318	XCZCWGVXRBJCCD-UHFFFAOYSA-N	biolink:MolecularMixturebiolink:ChemicalMixturebiolink:ChemicalEntitybiolink:PhysicalEssencebiolink:ChemicalOrDrugOrTreatmentbiolink:ChemicalEntityOrGeneOrGeneProductbiolink:ChemicalEntityOrProteinOrPolypeptidebiolink:NamedThingbiolink:PhysicalEssenceOrOccurrent	CHEMBL.COMPOUND:CHEMBL3183318INCHIKEY:XCZCWGVXRBJCCD-UHFFFAOYSA-N		
CHEBI:82421	4-Chloro-meta-phenylenediamine	biolink:SmallMoleculebiolink:MolecularEntitybiolink:ChemicalEntitybiolink:PhysicalEssencebiolink:ChemicalOrDrugOrTreatmentbiolink:ChemicalEntityOrGeneOrGeneProductbiolink:ChemicalEntityOrProteinOrPolypeptidebiolink:NamedThingbiolink:PhysicalEssenceOrOccurrent	CHEBI:82421UNII:46M6FQ5PJKPUBCHEM.COMPOUND:21209CHEMBL.COMPOUND:CHEMBL564253MESH:C031832CAS:225-877-9CAS:5131-60-2KEGG.COMPOUND:C19365INCHIKEY:ZWUBBMDHSZDNTA-UHFFFAOYSA-NUMLS:C0048168	100.0	
UNII:N4U4U64VRF	2,4-Diaminoanisole Sulfate	biolink:MolecularMixturebiolink:ChemicalMixturebiolink:ChemicalEntitybiolink:PhysicalEssencebiolink:ChemicalOrDrugOrTreatmentbiolink:ChemicalEntityOrGeneOrGeneProductbiolink:ChemicalEntityOrProteinOrPolypeptidebiolink:NamedThingbiolink:PhysicalEssenceOrOccurrent	UNII:N4U4U64VRFPUBCHEM.COMPOUND:38221CHEMBL.COMPOUND:CHEMBL3186170CAS:254-323-9CAS:39156-41-7CAS:6219-67-6INCHIKEY:FDJQHYWUHGBBTO-UHFFFAOYSA-N		
CHEBI:4312	Daminozide	biolink:SmallMoleculebiolink:MolecularEntitybiolink:ChemicalEntitybiolink:PhysicalEssencebiolink:ChemicalOrDrugOrTreatmentbiolink:ChemicalEntityOrGeneOrGeneProductbiolink:ChemicalEntityOrProteinOrPolypeptidebiolink:NamedThingbiolink:PhysicalEssenceOrOccurrent	CHEBI:4312UNII:F6KF33M5UBPUBCHEM.COMPOUND:15331CHEMBL.COMPOUND:CHEMBL2164243MESH:C014499CAS:1596-84-5CAS:216-485-9GTOPDB:7025HMDB:HMDB0250838KEGG.COMPOUND:C10996INCHIKEY:NOQGZXFMHARMLW-UHFFFAOYSA-NUMLS:C0057101	100.0	
CHEBI:46324	trimethyl phosphate	biolink:SmallMoleculebiolink:MolecularEntitybiolink:ChemicalEntitybiolink:PhysicalEssencebiolink:ChemicalOrDrugOrTreatmentbiolink:ChemicalEntityOrGeneOrGeneProductbiolink:ChemicalEntityOrProteinOrPolypeptidebiolink:NamedThingbiolink:PhysicalEssenceOrOccurrent	CHEBI:46324UNII:Z1E45TMW1ZPUBCHEM.COMPOUND:10541CHEMBL.COMPOUND:CHEMBL1236486MESH:C003715CAS:208-144-8CAS:512-56-1HMDB:HMDB0259237INCHIKEY:WVLBCYQITXONBZ-UHFFFAOYSA-NUMLS:C0077165	100.0	A trialkyl phosphate that is the trimethyl ester of phosphoric acid.
CHEBI:47032	1,4-Dioxane	biolink:SmallMoleculebiolink:MolecularEntitybiolink:ChemicalEntitybiolink:PhysicalEssencebiolink:ChemicalOrDrugOrTreatmentbiolink:ChemicalEntityOrGeneOrGeneProductbiolink:ChemicalEntityOrProteinOrPolypeptidebiolink:NamedThingbiolink:PhysicalEssenceOrOccurrent	CHEBI:47032UNII:J8A3S10O7SPUBCHEM.COMPOUND:31275CHEMBL.COMPOUND:CHEMBL453716DRUGBANK:DB03316MESH:C025223CAS:123-91-1CAS:28552-22-9HMDB:HMDB0244216KEGG.COMPOUND:C14440INCHIKEY:RYHBNJHYFVUHQT-UHFFFAOYSA-NUMLS:C0044018RXCUI:2383534	92.8	A dioxane with oxygen atoms at positions 1 and 4.
CHEBI:50225	razoxane	biolink:SmallMoleculebiolink:MolecularEntitybiolink:ChemicalEntitybiolink:PhysicalEssencebiolink:ChemicalOrDrugOrTreatmentbiolink:ChemicalEntityOrGeneOrGeneProductbiolink:ChemicalEntityOrProteinOrPolypeptidebiolink:NamedThingbiolink:PhysicalEssenceOrOccurrent	CHEBI:50225UNII:5AR83PR647PUBCHEM.COMPOUND:30623CHEMBL.COMPOUND:CHEMBL444186MESH:D011929CAS:21416-67-1CAS:21416-87-5CAS:244-379-2DrugCentral:4031HMDB:HMDB0245675INCHIKEY:BMKDZUISNHGIBY-UHFFFAOYSA-NUMLS:C0034738RXCUI:9154	92.8	
CHEBI:82282	Tris(2,3-dibromopropyl) phosphate	biolink:SmallMoleculebiolink:MolecularEntitybiolink:ChemicalEntitybiolink:PhysicalEssencebiolink:ChemicalOrDrugOrTreatmentbiolink:ChemicalEntityOrGeneOrGeneProductbiolink:ChemicalEntityOrProteinOrPolypeptidebiolink:NamedThingbiolink:PhysicalEssenceOrOccurrent	CHEBI:82282UNII:X7O89N7ZY0PUBCHEM.COMPOUND:31356CHEMBL.COMPOUND:CHEMBL1904600MESH:C012085CAS:126-72-7CAS:204-799-9KEGG.COMPOUND:C19182INCHIKEY:PQYJRMFWJJONBO-UHFFFAOYSA-NUMLS:C0077281	95.4	
CHEBI:34626	Chlorobenzilate	biolink:SmallMoleculebiolink:MolecularEntitybiolink:ChemicalEntitybiolink:PhysicalEssencebiolink:ChemicalOrDrugOrTreatmentbiolink:ChemicalEntityOrGeneOrGeneProductbiolink:ChemicalEntityOrProteinOrPolypeptidebiolink:NamedThingbiolink:PhysicalEssenceOrOccurrent	CHEBI:34626UNII:H850P004CZPUBCHEM.COMPOUND:10522CHEMBL.COMPOUND:CHEMBL539904MESH:C004659CAS:208-110-2CAS:510-15-6KEGG.COMPOUND:C14574INCHIKEY:RAPBNVDSDCTNRC-UHFFFAOYSA-NUMLS:C0055393	95.4	
CHEBI:36018	1,1,2-trichloroethane	biolink:SmallMoleculebiolink:MolecularEntitybiolink:ChemicalEntitybiolink:PhysicalEssencebiolink:ChemicalOrDrugOrTreatmentbiolink:ChemicalEntityOrGeneOrGeneProductbiolink:ChemicalEntityOrProteinOrPolypeptidebiolink:NamedThingbiolink:PhysicalEssenceOrOccurrent	CHEBI:36018UNII:28E9ERN9WUPUBCHEM.COMPOUND:6574CHEMBL.COMPOUND:CHEMBL43882MESH:C024567CAS:200-756-3CAS:201-166-9CAS:79-00-5HMDB:HMDB0244041KEGG.COMPOUND:C19536INCHIKEY:UBOXGVDOUJQMTN-UHFFFAOYSA-NUMLS:C0043708	95.4	A member of the class of chloroethanes that is ethane substituted by chloro groups at positions 1, 1 and 2.
CHEBI:8078	Phenoxybenzamine hydrochloride	biolink:MolecularMixturebiolink:ChemicalMixturebiolink:ChemicalEntitybiolink:PhysicalEssencebiolink:ChemicalOrDrugOrTreatmentbiolink:ChemicalEntityOrGeneOrGeneProductbiolink:ChemicalEntityOrProteinOrPolypeptidebiolink:NamedThingbiolink:PhysicalEssenceOrOccurrent	CHEBI:8078UNII:X1IEG24OHLPUBCHEM.COMPOUND:5284441CHEMBL.COMPOUND:CHEMBL1200787CAS:200-569-7CAS:63-92-3KEGG.COMPOUND:C07436INCHIKEY:VBCPVIWPDJVHAN-UHFFFAOYSA-N	100.0	
CHEBI:39227	hexachloroethane	biolink:SmallMoleculebiolink:MolecularEntitybiolink:ChemicalEntitybiolink:PhysicalEssencebiolink:ChemicalOrDrugOrTreatmentbiolink:ChemicalEntityOrGeneOrGeneProductbiolink:ChemicalEntityOrProteinOrPolypeptidebiolink:NamedThingbiolink:PhysicalEssenceOrOccurrent	CHEBI:39227UNII:G30K3QQT4JPUBCHEM.COMPOUND:6214CHEMBL.COMPOUND:CHEMBL160929MESH:C010182CAS:200-666-4CAS:67-72-1HMDB:HMDB0253120KEGG.COMPOUND:C19248INCHIKEY:VHHHONWQHHHLTI-UHFFFAOYSA-NUMLS:C0062606	95.4	A member of the class of chloroethanes that is ethane in which all the hydrogens are replaced by chloro groups.
CHEBI:82301	4-Chloro-ortho-phenylenediamine	biolink:SmallMoleculebiolink:MolecularEntitybiolink:ChemicalEntitybiolink:PhysicalEssencebiolink:ChemicalOrDrugOrTreatmentbiolink:ChemicalEntityOrGeneOrGeneProductbiolink:ChemicalEntityOrProteinOrPolypeptidebiolink:NamedThingbiolink:PhysicalEssenceOrOccurrent	CHEBI:82301UNII:8E72QRZ33HPUBCHEM.COMPOUND:7263CHEMBL.COMPOUND:CHEMBL552741MESH:C015060CAS:202-456-8CAS:95-83-0KEGG.COMPOUND:C19207INCHIKEY:BXIXXXYDDJVHDL-UHFFFAOYSA-NUMLS:C0048157	100.0	
UNII:34021JC2Z6	phenesterin	biolink:SmallMoleculebiolink:MolecularEntitybiolink:ChemicalEntitybiolink:PhysicalEssencebiolink:ChemicalOrDrugOrTreatmentbiolink:ChemicalEntityOrGeneOrGeneProductbiolink:ChemicalEntityOrProteinOrPolypeptidebiolink:NamedThingbiolink:PhysicalEssenceOrOccurrent	UNII:34021JC2Z6PUBCHEM.COMPOUND:266461MESH:C100060CAS:3546-10-9INCHIKEY:SPJCRMJCFSJKDE-ZWBUGVOYSA-NUMLS:C0070556		
CHEBI:82520	estradiol mustard	biolink:SmallMoleculebiolink:MolecularEntitybiolink:ChemicalEntitybiolink:PhysicalEssencebiolink:ChemicalOrDrugOrTreatmentbiolink:ChemicalEntityOrGeneOrGeneProductbiolink:ChemicalEntityOrProteinOrPolypeptidebiolink:NamedThingbiolink:PhysicalEssenceOrOccurrent	CHEBI:82520UNII:GEO3F3A4K1PUBCHEM.COMPOUND:31586CHEMBL.COMPOUND:CHEMBL1697793MESH:C023758CAS:22966-79-6DrugCentral:1062KEGG.COMPOUND:C19493INCHIKEY:LRSFXIJGHRPOQQ-VZRQQIPSSA-NUMLS:C0059620	100.0	
CHEBI:9570	Thiotepa	biolink:SmallMoleculebiolink:MolecularEntitybiolink:ChemicalEntitybiolink:PhysicalEssencebiolink:ChemicalOrDrugOrTreatmentbiolink:ChemicalEntityOrGeneOrGeneProductbiolink:ChemicalEntityOrProteinOrPolypeptidebiolink:NamedThingbiolink:PhysicalEssenceOrOccurrent	CHEBI:9570UNII:905Z5W3GKHPUBCHEM.COMPOUND:5453CHEMBL.COMPOUND:CHEMBL671DRUGBANK:DB04572MESH:D013852CAS:1631739-26-8CAS:200-135-7CAS:52-24-4DrugCentral:2638GTOPDB:7622HMDB:HMDB0015576KEGG.COMPOUND:C07641INCHIKEY:FOCVUCIESVLUNU-UHFFFAOYSA-NUMLS:C0039871RXCUI:10473	100.0	
UNII:KR0RFB46DF	ATEGANOSINE	biolink:SmallMoleculebiolink:MolecularEntitybiolink:ChemicalEntitybiolink:PhysicalEssencebiolink:ChemicalOrDrugOrTreatmentbiolink:ChemicalEntityOrGeneOrGeneProductbiolink:ChemicalEntityOrProteinOrPolypeptidebiolink:NamedThingbiolink:PhysicalEssenceOrOccurrent	UNII:KR0RFB46DFPUBCHEM.COMPOUND:3000603CHEMBL.COMPOUND:CHEMBL3250476DRUGBANK:DB18117MESH:C010438CAS:789-61-7INCHIKEY:SCVJRXQHFJXZFZ-KVQBGUIXSA-NUMLS:C0053376		
CHEBI:27789	Ethylene Dichloride	biolink:SmallMoleculebiolink:MolecularEntitybiolink:ChemicalEntitybiolink:PhysicalEssencebiolink:ChemicalOrDrugOrTreatmentbiolink:ChemicalEntityOrGeneOrGeneProductbiolink:ChemicalEntityOrProteinOrPolypeptidebiolink:NamedThingbiolink:PhysicalEssenceOrOccurrent	CHEBI:27789UNII:55163IJI47PUBCHEM.COMPOUND:11CHEMBL.COMPOUND:CHEMBL16370DRUGBANK:DB03733MESH:C024565MESH:D005025CAS:107-06-2CAS:52399-93-6HMDB:HMDB0029571KEGG.COMPOUND:C06752INCHIKEY:WSLDOOZREJYCGB-UHFFFAOYSA-NUMLS:C0015081UMLS:C0015082	88.2	A member of the class of chloroethanes substituted by two chloro groups at positions 1 and 2.
CHEBI:920	2,4-dinitrotoluene	biolink:SmallMoleculebiolink:MolecularEntitybiolink:ChemicalEntitybiolink:PhysicalEssencebiolink:ChemicalOrDrugOrTreatmentbiolink:ChemicalEntityOrGeneOrGeneProductbiolink:ChemicalEntityOrProteinOrPolypeptidebiolink:NamedThingbiolink:PhysicalEssenceOrOccurrent	CHEBI:920UNII:6741D310EDPUBCHEM.COMPOUND:8461CHEMBL.COMPOUND:CHEMBL259865MESH:C016403CAS:121-14-2CAS:1326-41-6CAS:204-450-0CAS:84029-42-5HMDB:HMDB0245464KEGG.COMPOUND:C11006INCHIKEY:RMBFBMJGBANMMK-UHFFFAOYSA-NUMLS:C0045525	95.4	A dinitrotoluene in which the methyl group is ortho to one of the nitro groups and para to the other. It is the most common isomer of dinitrotoluene.
CHEBI:82386	2-Amino-5-nitrothiazole	biolink:SmallMoleculebiolink:MolecularEntitybiolink:ChemicalEntitybiolink:PhysicalEssencebiolink:ChemicalOrDrugOrTreatmentbiolink:ChemicalEntityOrGeneOrGeneProductbiolink:ChemicalEntityOrProteinOrPolypeptidebiolink:NamedThingbiolink:PhysicalEssenceOrOccurrent	CHEBI:82386UNII:1GR77A37Z5PUBCHEM.COMPOUND:8486CHEMBL.COMPOUND:CHEMBL408049MESH:C034870CAS:121-66-4CAS:204-490-9KEGG.COMPOUND:C19324INCHIKEY:MIHADVKEHAFNPG-UHFFFAOYSA-NUMLS:C0045857RXCUI:1665683	100.0	
CHEBI:2437	acronycine	biolink:SmallMoleculebiolink:MolecularEntitybiolink:ChemicalEntitybiolink:PhysicalEssencebiolink:ChemicalOrDrugOrTreatmentbiolink:ChemicalEntityOrGeneOrGeneProductbiolink:ChemicalEntityOrProteinOrPolypeptidebiolink:NamedThingbiolink:PhysicalEssenceOrOccurrent	CHEBI:2437UNII:QE0G097358PUBCHEM.COMPOUND:345512CHEMBL.COMPOUND:CHEMBL285852MESH:D000175CAS:7008-42-6KEGG.COMPOUND:C10632INCHIKEY:SMPZPKRDRQOOHT-UHFFFAOYSA-NUMLS:C0001210	100.0	An alkaloid antineoplastic agent isolated from Acronychia baueri.
CHEBI:82374	4,4'-Thiodianiline	biolink:SmallMoleculebiolink:MolecularEntitybiolink:ChemicalEntitybiolink:PhysicalEssencebiolink:ChemicalOrDrugOrTreatmentbiolink:ChemicalEntityOrGeneOrGeneProductbiolink:ChemicalEntityOrProteinOrPolypeptidebiolink:NamedThingbiolink:PhysicalEssenceOrOccurrent	CHEBI:82374UNII:6GGU990BQFPUBCHEM.COMPOUND:8765CHEMBL.COMPOUND:CHEMBL348856MESH:C011749CAS:139-65-1CAS:205-370-9KEGG.COMPOUND:C19303INCHIKEY:ICNFHJVPAJKPHW-UHFFFAOYSA-NUMLS:C0047830	95.4	
CHEBI:2038	Azacitidine	biolink:SmallMoleculebiolink:MolecularEntitybiolink:ChemicalEntitybiolink:PhysicalEssencebiolink:ChemicalOrDrugOrTreatmentbiolink:ChemicalEntityOrGeneOrGeneProductbiolink:ChemicalEntityOrProteinOrPolypeptidebiolink:NamedThingbiolink:PhysicalEssenceOrOccurrent	CHEBI:2038UNII:M801H13NRUPUBCHEM.COMPOUND:9444CHEMBL.COMPOUND:CHEMBL1489DRUGBANK:DB00928MESH:D001374CAS:1401238-97-8CAS:206-280-2CAS:320-67-2DrugCentral:25GTOPDB:6796HMDB:HMDB0015063KEGG.COMPOUND:C11262INCHIKEY:NMUSYJAQQFHJEW-KVTDHHQDSA-NUMLS:C0004475RXCUI:1251	95.4	An N-glycosyl-1,3,5-triazine that is 4-amino-1,3,5-triazin-2(1H)-one substituted by a beta-D-ribofuranosyl residue via an N-glycosidic linkage. An antineoplastic agent, it is used in the treatment of myeloid leukaemia.
PUBCHEM.COMPOUND:6321388	LASIOCARPINE	biolink:SmallMoleculebiolink:MolecularEntitybiolink:ChemicalEntitybiolink:PhysicalEssencebiolink:ChemicalOrDrugOrTreatmentbiolink:ChemicalEntityOrGeneOrGeneProductbiolink:ChemicalEntityOrProteinOrPolypeptidebiolink:NamedThingbiolink:PhysicalEssenceOrOccurrent	PUBCHEM.COMPOUND:6321388CHEMBL.COMPOUND:CHEMBL498236INCHIKEY:QHOZSLCIKHUPSU-PNFBIMPKSA-N		
CHEBI:35027	trifluralin	biolink:SmallMoleculebiolink:MolecularEntitybiolink:ChemicalEntitybiolink:PhysicalEssencebiolink:ChemicalOrDrugOrTreatmentbiolink:ChemicalEntityOrGeneOrGeneProductbiolink:ChemicalEntityOrProteinOrPolypeptidebiolink:NamedThingbiolink:PhysicalEssenceOrOccurrent	CHEBI:35027UNII:C8BX46QL7KPUBCHEM.COMPOUND:5569CHEMBL.COMPOUND:CHEMBL31970MESH:D014274CAS:1582-09-8CAS:216-428-8CAS:71281-30-6HMDB:HMDB0259211KEGG.COMPOUND:C14343INCHIKEY:ZSDSQXJSNMTJDA-UHFFFAOYSA-NUMLS:C0040990	95.4	A substituted aniline that is N,N-dipropylaniline substituted by a nitro groups at positions 2 and 6 and a trifluoromethyl group at position 4. It is an agrochemical used as a pre-emergence herbicide.
CHEBI:35005	STIROFOS	biolink:SmallMoleculebiolink:MolecularEntitybiolink:ChemicalEntitybiolink:PhysicalEssencebiolink:ChemicalOrDrugOrTreatmentbiolink:ChemicalEntityOrGeneOrGeneProductbiolink:ChemicalEntityOrProteinOrPolypeptidebiolink:NamedThingbiolink:PhysicalEssenceOrOccurrent	CHEBI:35005UNII:DM33MW89QUPUBCHEM.COMPOUND:5284462CHEMBL.COMPOUND:CHEMBL1452359MESH:D013751CAS:213-506-3CAS:22248-79-9CAS:244-865-4KEGG.COMPOUND:C14513INCHIKEY:UBCKGWBNUIFUST-YHYXMXQVSA-NUMLS:C0039640	95.4	
CHEBI:5864	Ifosfamide	biolink:SmallMoleculebiolink:MolecularEntitybiolink:ChemicalEntitybiolink:PhysicalEssencebiolink:ChemicalOrDrugOrTreatmentbiolink:ChemicalEntityOrGeneOrGeneProductbiolink:ChemicalEntityOrProteinOrPolypeptidebiolink:NamedThingbiolink:PhysicalEssenceOrOccurrent	CHEBI:5864UNII:UM20QQM95YPUBCHEM.COMPOUND:3690CHEMBL.COMPOUND:CHEMBL1024DRUGBANK:DB01181MESH:D007069CAS:223-237-3CAS:3778-73-2DrugCentral:1421GTOPDB:7201HMDB:HMDB0015312KEGG.COMPOUND:C07047INCHIKEY:HOMGKSMUEGBAAB-UHFFFAOYSA-NUMLS:C0020823RXCUI:5657	95.4	The simplest member of the class of  ifosfamides that is 1,3,2-oxazaphosphinan-2-amine 2-oxide substituted by 2-chloroethyl groups on both the nitrogen atoms respectively. It is a nitrogen mustard alkylating agent used in the treatment of advanced breast cancer.
CHEBI:82345	2-Methyl-1-nitroanthraquinone	biolink:SmallMoleculebiolink:MolecularEntitybiolink:ChemicalEntitybiolink:PhysicalEssencebiolink:ChemicalOrDrugOrTreatmentbiolink:ChemicalEntityOrGeneOrGeneProductbiolink:ChemicalEntityOrProteinOrPolypeptidebiolink:NamedThingbiolink:PhysicalEssenceOrOccurrent	CHEBI:82345UNII:XU83BY176PPUBCHEM.COMPOUND:31426CHEMBL.COMPOUND:CHEMBL1331312MESH:C016581CAS:129-15-7CAS:204-932-0KEGG.COMPOUND:C19264INCHIKEY:FYXKXZFTZBYYNP-UHFFFAOYSA-NUMLS:C0046329	100.0	
CHEBI:36026	1,1,2,2-tetrachloroethane	biolink:SmallMoleculebiolink:MolecularEntitybiolink:ChemicalEntitybiolink:PhysicalEssencebiolink:ChemicalOrDrugOrTreatmentbiolink:ChemicalEntityOrGeneOrGeneProductbiolink:ChemicalEntityOrProteinOrPolypeptidebiolink:NamedThingbiolink:PhysicalEssenceOrOccurrent	CHEBI:36026UNII:1L6BI049XVPUBCHEM.COMPOUND:6591CHEMBL.COMPOUND:CHEMBL47258MESH:C015530CAS:79-34-5HMDB:HMDB0244045KEGG.COMPOUND:C19534INCHIKEY:QPFMBZIOSGYJDE-UHFFFAOYSA-NUMLS:C0043703	95.4	A member of the class of  chloroethanes that is ethane substituted by chloro groups at positions 1, 1, 2 and 2.
CHEBI:82183	Chloramben	biolink:SmallMoleculebiolink:MolecularEntitybiolink:ChemicalEntitybiolink:PhysicalEssencebiolink:ChemicalOrDrugOrTreatmentbiolink:ChemicalEntityOrGeneOrGeneProductbiolink:ChemicalEntityOrProteinOrPolypeptidebiolink:NamedThingbiolink:PhysicalEssenceOrOccurrent	CHEBI:82183UNII:EWG424FFB5PUBCHEM.COMPOUND:8630CHEMBL.COMPOUND:CHEMBL446021MESH:C024798CAS:133-90-4CAS:205-123-5KEGG.COMPOUND:C19056INCHIKEY:HSSBORCLYSCBJR-UHFFFAOYSA-NUMLS:C0051575	95.4	
INCHIKEY:QBYJBZPUGVGKQQ-SJJAEHHWNA-N	QBYJBZPUGVGKQQ-SJJAEHHWNA-N	biolink:NamedThing			
CHEBI:4325	Dapsone	biolink:SmallMoleculebiolink:MolecularEntitybiolink:ChemicalEntitybiolink:PhysicalEssencebiolink:ChemicalOrDrugOrTreatmentbiolink:ChemicalEntityOrGeneOrGeneProductbiolink:ChemicalEntityOrProteinOrPolypeptidebiolink:NamedThingbiolink:PhysicalEssenceOrOccurrent	CHEBI:4325UNII:8W5C518302PUBCHEM.COMPOUND:2955CHEMBL.COMPOUND:CHEMBL1043DRUGBANK:DB00250MESH:D003622CAS:201-248-4CAS:80-08-0DrugCentral:782GTOPDB:10934HMDB:HMDB0014395KEGG.COMPOUND:C07666INCHIKEY:MQJKPEGWNLWLTK-UHFFFAOYSA-NUMLS:C0010980RXCUI:3108	90.9	A  sulfone that is diphenylsulfone in which the hydrogen atom at the 4 position of each of the phenyl groups is substituted by an amino group. It is active against a wide  range of bacteria, but is mainly employed for its actions against Mycobacterium leprae, being used as part of multidrug regimens in the treatment of all forms of leprosy.
CHEBI:71428	procarbazine hydrochloride	biolink:MolecularMixturebiolink:ChemicalMixturebiolink:ChemicalEntitybiolink:PhysicalEssencebiolink:ChemicalOrDrugOrTreatmentbiolink:ChemicalEntityOrGeneOrGeneProductbiolink:ChemicalEntityOrProteinOrPolypeptidebiolink:NamedThingbiolink:PhysicalEssenceOrOccurrent	CHEBI:71428UNII:XH0NPH5ZX8PUBCHEM.COMPOUND:9703CHEMBL.COMPOUND:CHEMBL1200410CAS:206-678-6CAS:366-70-1KEGG.COMPOUND:C07376INCHIKEY:DERJYEZSLHIUKF-UHFFFAOYSA-N	100.0	A hydrochloride obtained by combining procarbazine with one equivalent of hydrochloric acid. An antineoplastic chemotherapy drug used for treatment of Hodgkin's lymphoma. Metabolism yields azo-procarbazine and hydrogen peroxide, which results in the breaking of DNA strands.
CHEBI:34785	heptachlor	biolink:SmallMoleculebiolink:MolecularEntitybiolink:ChemicalEntitybiolink:PhysicalEssencebiolink:ChemicalOrDrugOrTreatmentbiolink:ChemicalEntityOrGeneOrGeneProductbiolink:ChemicalEntityOrProteinOrPolypeptidebiolink:NamedThingbiolink:PhysicalEssenceOrOccurrent	CHEBI:34785PUBCHEM.COMPOUND:3589CHEMBL.COMPOUND:CHEMBL194400MESH:D006533CAS:200-962-3CAS:76-44-8HMDB:HMDB0253094KEGG.COMPOUND:C14185INCHIKEY:FRCCEHPWNOQAEU-UHFFFAOYSA-NUMLS:C0019219	95.4	A cyclodiene organochlorine insecticide that is 3a,4,7,7a-tetrahydro-1H-4,7-methanoindene substituted by chlorine atoms at positions 1, 4, 5, 6, 7, 8 and 8. Formerly used to kill termites, ants and other insects in agricultural and domestic situations.
CHEBI:34623	chlordane	biolink:SmallMoleculebiolink:MolecularEntitybiolink:ChemicalEntitybiolink:PhysicalEssencebiolink:ChemicalOrDrugOrTreatmentbiolink:ChemicalEntityOrGeneOrGeneProductbiolink:ChemicalEntityOrProteinOrPolypeptidebiolink:NamedThingbiolink:PhysicalEssenceOrOccurrent	CHEBI:34623PUBCHEM.COMPOUND:5993CHEMBL.COMPOUND:CHEMBL196537MESH:C025640MESH:D002706CAS:12789-03-6CAS:33442-85-2CAS:687-155-3GTOPDB:2831HMDB:HMDB0249113KEGG.COMPOUND:C14176INCHIKEY:BIWJNBZANLAXMG-UHFFFAOYSA-NUMLS:C0008184UMLS:C0070954	88.2	
CHEBI:44557	Nitrilotriacetic acid	biolink:SmallMoleculebiolink:MolecularEntitybiolink:ChemicalEntitybiolink:PhysicalEssencebiolink:ChemicalOrDrugOrTreatmentbiolink:ChemicalEntityOrGeneOrGeneProductbiolink:ChemicalEntityOrProteinOrPolypeptidebiolink:NamedThingbiolink:PhysicalEssenceOrOccurrent	CHEBI:44557UNII:KA90006V9DPUBCHEM.COMPOUND:8758CHEMBL.COMPOUND:CHEMBL1234848DRUGBANK:DB03040MESH:D009571CAS:139-13-9CAS:80751-51-5HMDB:HMDB0255635KEGG.COMPOUND:C14695INCHIKEY:MGFYIUFZLHCRTH-UHFFFAOYSA-NUMLS:C0028132	90.9	
UNII:J0U92U6NU5	TRISODIUM NITRILOTRIACETATE MONOHYDRATE	biolink:MolecularMixturebiolink:ChemicalMixturebiolink:ChemicalEntitybiolink:PhysicalEssencebiolink:ChemicalOrDrugOrTreatmentbiolink:ChemicalEntityOrGeneOrGeneProductbiolink:ChemicalEntityOrProteinOrPolypeptidebiolink:NamedThingbiolink:PhysicalEssenceOrOccurrent	UNII:J0U92U6NU5CHEMBL.COMPOUND:CHEMBL1905907INCHIKEY:HERBOKBJKVUALN-UHFFFAOYSA-K		
CHEBI:35255	Chloroform	biolink:SmallMoleculebiolink:MolecularEntitybiolink:ChemicalEntitybiolink:PhysicalEssencebiolink:ChemicalOrDrugOrTreatmentbiolink:ChemicalEntityOrGeneOrGeneProductbiolink:ChemicalEntityOrProteinOrPolypeptidebiolink:NamedThingbiolink:PhysicalEssenceOrOccurrent	CHEBI:35255UNII:7V31YC746XPUBCHEM.COMPOUND:6212CHEMBL.COMPOUND:CHEMBL44618DRUGBANK:DB11387MESH:D002725CAS:200-663-8CAS:67-66-3DrugCentral:4363GTOPDB:2503HMDB:HMDB0029596KEGG.COMPOUND:C13827INCHIKEY:HEDRZPFGACZZDS-UHFFFAOYSA-NUMLS:C0008238RXCUI:1362698	92.8	A one-carbon compound that is methane in which three of the hydrogens are replaced by chlorines.
CHEBI:16548	chlordecone	biolink:SmallMoleculebiolink:MolecularEntitybiolink:ChemicalEntitybiolink:PhysicalEssencebiolink:ChemicalOrDrugOrTreatmentbiolink:ChemicalEntityOrGeneOrGeneProductbiolink:ChemicalEntityOrProteinOrPolypeptidebiolink:NamedThingbiolink:PhysicalEssenceOrOccurrent	CHEBI:16548UNII:RG5XJ88UDFPUBCHEM.COMPOUND:299CHEMBL.COMPOUND:CHEMBL462576MESH:D007631CAS:143-50-0CAS:205-601-3HMDB:HMDB0059603KEGG.COMPOUND:C01792INCHIKEY:LHHGDZSESBACKH-UHFFFAOYSA-NUMLS:C0022562	92.8	An  organochlorine compound with insecticidal activity.
MPATH:134	134	biolink:NamedThing