aflatoxin m1

Description

Aflatoxin M1: A 4-hydroxylated metabolite of AFLATOXIN B1, one of the MYCOTOXINS from ASPERGILLUS tainted food. It is associated with LIVER damage and cancer resulting from its P450 activation to the epoxide which alkylates DNA. Toxicity depends on the balance of liver enzymes that activate it (CYTOCHROME P-450) and others that detoxify it (GLUTATHIONE S TRANSFERASE) (Pharmac Ther 50.443 1991). Primates & rat are sensitive while mouse and hamster are tolerant (Canc Res 29.236 1969). [MeSH]

aflatoxin M1 : A member of the class of aflatoxins that is aflatoxin B1 in which the hydrogen at position 9a is replaced by a hydroxy group. [CHeBI]

Cross-References

ID Source	ID
PubMed CID	15558498
CHEBI ID	78576
MeSH ID	M0025324

Synonyms (35)

Synonym
(6ar-cis)-2,3,6a,9a-tetrahydro-9a-hydroxy-4-methoxycyclopenta(c)furo(3',2':4,5)furo(2,3-h)(1)benzopyran-1,11-dione
aflatoxin m1
einecs 229-865-4
4-hydroxyaflatoxin b1
ccris 15
aflatoxin m1, from aspergillus flavus
6795-23-9
C16756
i3020o28i3 ,
unii-i3020o28i3
aflatoxin m
afm1
aflatoxin m1 [mi]
cyclopenta(c)furo(3',2':4,5)furo(2,3-h)(1)benzopyran-1,11-dione, 2,3,6a,9a-tetrahydro-9a-hydroxy-4-methoxy-, (6ar,9ar)-
CHEBI:78576
(6ar,9ar)-9a-hydroxy-4-methoxy-2,3,6a,9a-tetrahydrocyclopenta[c]furo[3',2':4,5]furo[2,3-h]chromene-1,11-dione
cyclopenta[c]furo[3',2':4,5]furo[2,3-h][1]benzopyran-1,11-dione,2,3,6a,9a-tetrahydro-9a-hydroxy-4-methoxy-,(6ar,9ar)-
mfcd00871812
(3r,7r)-3-hydroxy-11-methoxy-6,8,19-trioxapentacyclo[10.7.0.0^{2,9}.0^{3,7}.0^{13,17}]nonadeca-1,4,9,11,13(17)-pentaene-16,18-dione
MJBWDEQAUQTVKK-IAGOWNOFSA-N
DTXSID40891797
25325-49-9
(3r,7r)-3-hydroxy-11-methoxy-6,8,19-trioxapentacyclo[10.7.0.02,9.03,7.013,17]nonadeca-1,4,9,11,13(17)-pentaene-16,18-dione
Q26998369
EX-A5477
rel-(6ar,9ar)-9a-hydroxy-4-methoxy-2,3,6a,9a-tetrahydrocyclopenta[c]furo[3',2':4,5]furo[2,3-h]chromene-1,11-dione
A937070
aflatoxin m1 0.5 microg/ml in acetonitrile
(7r)-3-hydroxy-11-methoxy-6,8,19-trioxapentacyclo[10.7.0.02,9.03,7.013,17]nonadeca-1,4,9,11,13(17)-pentaene-16,18-dione
aflatoxinm1
pyrimidine-5-carboxylate
methyl 4-(4-fluorophenyl)-6-isopropyl-2-[n-methyl-n-(methylsulfonyl)amino]
62 - soft cheese
60 - milk (freeze-dried)
AKOS040740684

Roles (3)

Role	Description
mammalian metabolite	Any animal metabolite produced during a metabolic reaction in mammals.
human xenobiotic metabolite	Any human metabolite produced by metabolism of a xenobiotic compound in humans.
Aspergillus metabolite	Any fungal metabolite produced during a metabolic reaction in the mould, Aspergillus.

Drug Classes (4)

Class	Description
aflatoxin	Any of a group of related and highly toxic secondary metabolites (mycotoxins) whose main structural feature is a fused coumarin-bis(dihydrofuran) ring system and which are produced by strains of the moulds Aspergillus flavus or A. parasiticus, together with further metabolites of these mycotoxins
aromatic ether	Any ether in which the oxygen is attached to at least one aryl substituent.
tertiary alcohol	A tertiary alcohol is a compound in which a hydroxy group, -OH, is attached to a saturated carbon atom which has three other carbon atoms attached to it.
aromatic ketone	A ketone in which the carbonyl group is attached to an aromatic ring.

Pathways (4)

aflatoxin m1 is involved in 4 pathway(s), involving a total of 1664 unique proteins and 1412 unique compounds

Pathway	Proteins	Compounds
Metabolism	1496	1108
Biological oxidations	150	276
Aflatoxin activation and detoxification	18	21
Aflatoxin B1 metabolism	0	7

Research

Studies (569)

Timeframe	Studies, This Drug (%)	All Drugs %
pre-1990	86 (15.11)	18.7374
1990's	45 (7.91)	18.2507
2000's	110 (19.33)	29.6817
2010's	225 (39.54)	24.3611
2020's	103 (18.10)	2.80

Study Types

Publication Type	This drug (%)	All Drugs (%)
Trials	7 (1.11%)	5.53%
Reviews	24 (3.82%)	6.00%
Case Studies	1 (0.16%)	4.05%
Observational	0 (0.00%)	0.25%
Other	596 (94.90%)	84.16%

Substance	Studies	Classes	Roles	First Year	Last Year	Average Age	Relationship Strength	Trials	pre-1990	1990's	2000's	2010's	post-2020
aflatoxin b1-2,3-oxide	0	aflatoxin	human metabolite	0	0		low	0	0	0	0	0	0
aflatoxin q1	0	aflatoxin; aromatic ether; aromatic ketone	carcinogenic agent; human xenobiotic metabolite	0	0		low	0	0	0	0	0	0
aflatoxin b1	174	aflatoxin; aromatic ether; aromatic ketone	carcinogenic agent; human metabolite	1980	2023	21.9	high	4	52	24	35	47	16
aflatoxin b	0	aflatoxin		0	0		low	0	0	0	0	0	0
quinacrine	0	acridines; aromatic ether; organochlorine compound; tertiary amino compound	antimalarial; EC 1.8.1.12 (trypanothione-disulfide reductase) inhibitor	0	0		low	0	0	0	0	0	0
vanilmandelic acid	0	2-hydroxy monocarboxylic acid; aromatic ether; phenols	human metabolite	0	0		low	0	0	0	0	0	0
4-(2,4-dichlorophenoxy)butyric acid	0	aromatic ether; monocarboxylic acid; organochlorine compound	agrochemical; phenoxy herbicide; synthetic auxin	0	0		low	0	0	0	0	0	0
win 52035	0	aromatic ether		0	0		low	0	0	0	0	0	0
win 52084	0	aromatic ether		0	0		low	0	0	0	0	0	0
5-(nonyloxy)tryptamine	0	aromatic ether; primary amino compound; tryptamines	serotonergic agonist	0	0		low	0	0	0	0	0	0
methylbufotenin	0	aromatic ether; tertiary amino compound; tryptamine alkaloid	hallucinogen; plant metabolite	0	0		low	0	0	0	0	0	0
5-methoxytryptamine	0	aromatic ether; primary amino compound; tryptamines	5-hydroxytryptamine 2A receptor agonist; 5-hydroxytryptamine 2B receptor agonist; 5-hydroxytryptamine 2C receptor agonist; antioxidant; cardioprotective agent; human metabolite; mouse metabolite; neuroprotective agent; radiation protective agent; serotonergic agonist	0	0		low	0	0	0	0	0	0
ro 48-8071	0	aromatic ether; aromatic ketone; bromobenzenes; monofluorobenzenes; olefinic compound; tertiary amino compound	antineoplastic agent; EC 5.4.99.7 (lanosterol synthase) inhibitor	0	0		low	0	0	0	0	0	0
rtki cpd	0	aromatic ether; monochlorobenzenes; quinazolines	antineoplastic agent; antiviral agent; epidermal growth factor receptor antagonist; geroprotector	0	0		low	0	0	0	0	0	0
amsacrine	0	acridines; aromatic ether; sulfonamide	antineoplastic agent; EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor	0	0		low	0	0	0	0	0	0
aristolochic acid i	0	aristolochic acids; aromatic ether; C-nitro compound; cyclic acetal; monocarboxylic acid; organic heterotetracyclic compound	carcinogenic agent; metabolite; mutagen; nephrotoxin; toxin	0	0		low	0	0	0	0	0	0
2,4-dihydroxy-7-methoxy-1,4-benzoxazin-3-one	0	aromatic ether; benzoxazine; cyclic hydroxamic acid; lactol	allelochemical; plant metabolite	0	0		low	0	0	0	0	0	0
bufetolol	0	aromatic ether		0	0		low	0	0	0	0	0	0
bufexamac	0	aromatic ether; hydroxamic acid	antipyretic; non-narcotic analgesic; non-steroidal anti-inflammatory drug	0	0		low	0	0	0	0	0	0
bunitrolol	0	aromatic ether		0	0		low	0	0	0	0	0	0
bupranolol	0	aromatic ether		0	0		low	0	0	0	0	0	0
verapamil	0	aromatic ether; nitrile; polyether; tertiary amino compound		0	0		low	0	0	0	0	0	0
cgp 12177	0	aromatic ether; benzimidazoles; secondary alcohol; secondary amino compound	beta-adrenergic antagonist	0	0		low	0	0	0	0	0	0
ciglitazone	0	aromatic ether; thiazolidinone	antineoplastic agent; insulin-sensitizing drug	0	0		low	0	0	0	0	0	0
cirazoline	0	aromatic ether		0	0		low	0	0	0	0	0	0
clofibrate	0	aromatic ether; ethyl ester; monochlorobenzenes	anticholesteremic drug; antilipemic drug; geroprotector; PPARalpha agonist	0	0		low	0	0	0	0	0	0
clofibric acid	0	aromatic ether; monocarboxylic acid; monochlorobenzenes	anticholesteremic drug; antilipemic drug; antineoplastic agent; herbicide; marine xenobiotic metabolite; PPARalpha agonist	0	0		low	0	0	0	0	0	0
colchicine, (+-)-isomer	0	acetamides; alkaloid; aromatic ether; carbotricyclic compound	microtubule-destabilising agent; plant metabolite	0	0		low	0	0	0	0	0	0
croconazole	0	aromatic ether; conazole antifungal drug; imidazole antifungal drug; monochlorobenzenes		0	0		low	0	0	0	0	0	0
cypermethrin	0	aromatic ether; cyclopropanecarboxylate ester; nitrile; organochlorine compound	agrochemical; molluscicide; pyrethroid ester acaricide; pyrethroid ester insecticide	0	0		low	0	0	0	0	0	0
racemethorphan	0	aromatic ether; morphinane alkaloid; morphinane-like compound; organic heterotetracyclic compound		0	0		low	0	0	0	0	0	0
dibucaine	0	aromatic ether; monocarboxylic acid amide; tertiary amino compound	topical anaesthetic	0	0		low	0	0	0	0	0	0
dilacor xr	0	acetate ester; aromatic ether; benzothiazepine; lactam; tertiary amino compound		0	0		low	0	0	0	0	0	0
domiphen	0	aromatic ether		0	0		low	0	0	0	0	0	0
donepezil	0	aromatic ether; indanones; piperidines; racemate	EC 3.1.1.7 (acetylcholinesterase) inhibitor; EC 3.1.1.8 (cholinesterase) inhibitor; nootropic agent	0	0		low	0	0	0	0	0	0
epirizole	0	aromatic ether		0	0		low	0	0	0	0	0	0
ethacrynic acid	0	aromatic ether; aromatic ketone; dichlorobenzene; monocarboxylic acid	EC 2.5.1.18 (glutathione transferase) inhibitor; ion transport inhibitor; loop diuretic	0	0		low	0	0	0	0	0	0
ethoxyquin	0	aromatic ether; quinolines	antifungal agrochemical; food antioxidant; genotoxin; geroprotector; herbicide; Hsp90 inhibitor; neuroprotective agent; UDP-glucuronosyltransferase activator	0	0		low	0	0	0	0	0	0
ethoxzolamide	0	aromatic ether; benzothiazoles; sulfonamide	antiglaucoma drug; diuretic; EC 4.2.1.1 (carbonic anhydrase) inhibitor	0	0		low	0	0	0	0	0	0
2-hexyloxybenzamide	0	aromatic ether; benzamides	antifungal agent	0	0		low	0	0	0	0	0	0
carbonyl cyanide p-trifluoromethoxyphenylhydrazone	0	aromatic ether; hydrazone; nitrile; organofluorine compound	ATP synthase inhibitor; geroprotector; ionophore	0	0		low	0	0	0	0	0	0
fenofibrate	0	aromatic ether; chlorobenzophenone; isopropyl ester; monochlorobenzenes	antilipemic drug; environmental contaminant; geroprotector; xenobiotic	0	0		low	0	0	0	0	0	0
fenvalerate	0	aromatic ether; carboxylic ester; monochlorobenzenes	pyrethroid ester acaricide; pyrethroid ester insecticide	0	0		low	0	0	0	0	0	0
flecainide	0	aromatic ether; monocarboxylic acid amide; organofluorine compound; piperidines	anti-arrhythmia drug	0	0		low	0	0	0	0	0	0
fluoxetine	0	(trifluoromethyl)benzenes; aromatic ether; secondary amino compound		0	0		low	0	0	0	0	0	0
gallamine triethiodide	0	aromatic ether		0	0		low	0	0	0	0	0	0
gemfibrozil	0	aromatic ether	antilipemic drug	0	0		low	0	0	0	0	0	0
haloprogin	0	aromatic ether		0	0		low	0	0	0	0	0	0
indomethacin	0	aromatic ether; indole-3-acetic acids; monochlorobenzenes; N-acylindole	analgesic; drug metabolite; EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor; environmental contaminant; gout suppressant; non-steroidal anti-inflammatory drug; xenobiotic metabolite; xenobiotic	0	0		low	0	0	0	0	0	0
ipriflavone	0	aromatic ether; isoflavones	bone density conservation agent	0	0		low	0	0	0	0	0	0
ly 171883	0	acetophenones; aromatic ether; phenols; tetrazoles	anti-asthmatic drug; leukotriene antagonist	0	0		low	0	0	0	0	0	0
mephenesin	0	aromatic ether; glycerol ether		0	0		low	0	0	0	0	0	0
methocarbamol	0	aromatic ether; carbamate ester; secondary alcohol		0	0		low	0	0	0	0	0	0
methoctramine	0	aromatic ether; tetramine	muscarinic antagonist	0	0		low	0	0	0	0	0	0
methoxsalen	0	aromatic ether; psoralens	antineoplastic agent; cross-linking reagent; dermatologic drug; photosensitizing agent; plant metabolite	0	0		low	0	0	0	0	0	0
metoprolol	0	aromatic ether; propanolamine; secondary alcohol; secondary amino compound	antihypertensive agent; beta-adrenergic antagonist; environmental contaminant; geroprotector; xenobiotic	0	0		low	0	0	0	0	0	0
mexiletine	0	aromatic ether; primary amino compound	anti-arrhythmia drug	0	0		low	0	0	0	0	0	0
midodrine	0	amino acid amide; aromatic ether; secondary alcohol	alpha-adrenergic agonist; prodrug; sympathomimetic agent; vasoconstrictor agent	0	0		low	0	0	0	0	0	0
clorgyline	0	aromatic ether; dichlorobenzene; terminal acetylenic compound; tertiary amino compound	antidepressant; EC 1.4.3.4 (monoamine oxidase) inhibitor	0	0		low	0	0	0	0	0	0
nefazodone	0	aromatic ether; monochlorobenzenes; N-alkylpiperazine; N-arylpiperazine; triazoles	alpha-adrenergic antagonist; analgesic; antidepressant; serotonergic antagonist; serotonin uptake inhibitor	0	0		low	0	0	0	0	0	0
nimesulide	0	aromatic ether; C-nitro compound; sulfonamide	cyclooxygenase 2 inhibitor; non-steroidal anti-inflammatory drug	0	0		low	0	0	0	0	0	0
nisoxetine	0	aromatic ether; secondary amino compound	adrenergic uptake inhibitor; antidepressant	0	0		low	0	0	0	0	0	0
n-(2-cyclohexyloxy-4-nitrophenyl)methanesulfonamide	0	aromatic ether; C-nitro compound; sulfonamide	antineoplastic agent; cyclooxygenase 2 inhibitor	0	0		low	0	0	0	0	0	0
omeprazole	0	aromatic ether; benzimidazoles; pyridines; sulfoxide		0	0		low	0	0	0	0	0	0
oxprenolol	0	aromatic ether		0	0		low	0	0	0	0	0	0
pantoprazole	0	aromatic ether; benzimidazoles; organofluorine compound; pyridines; sulfoxide	anti-ulcer drug; EC 3.6.3.10 (H(+)/K(+)-exchanging ATPase) inhibitor; environmental contaminant; xenobiotic	0	0		low	0	0	0	0	0	0
pd 153035	0	aromatic amine; aromatic ether; bromobenzenes; quinazolines; secondary amino compound	EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor; epidermal growth factor receptor antagonist	0	0		low	0	0	0	0	0	0
pentamidine	0	aromatic ether; carboxamidine; diether	anti-inflammatory agent; antifungal agent; calmodulin antagonist; chemokine receptor 5 antagonist; EC 2.3.1.48 (histone acetyltransferase) inhibitor; NMDA receptor antagonist; S100 calcium-binding protein B inhibitor; trypanocidal drug; xenobiotic	0	0		low	0	0	0	0	0	0
phenacetin	0	acetamides; aromatic ether	cyclooxygenase 3 inhibitor; non-narcotic analgesic; peripheral nervous system drug	0	0		low	0	0	0	0	0	0
pioglitazone	0	aromatic ether; pyridines; thiazolidinediones	antidepressant; cardioprotective agent; EC 2.7.1.33 (pantothenate kinase) inhibitor; EC 6.2.1.3 (long-chain-fatty-acid--CoA ligase) inhibitor; ferroptosis inhibitor; geroprotector; hypoglycemic agent; insulin-sensitizing drug; PPARgamma agonist; xenobiotic	0	0		low	0	0	0	0	0	0
piretanide	0	aromatic ether		0	0		low	0	0	0	0	0	0
pramoxine	0	aromatic ether; morpholines	local anaesthetic	0	0		low	0	0	0	0	0	0
prazosin	0	aromatic ether; furans; monocarboxylic acid amide; piperazines; quinazolines	alpha-adrenergic antagonist; antihypertensive agent; EC 3.4.21.26 (prolyl oligopeptidase) inhibitor	0	0		low	0	0	0	0	0	0
primaquine	0	aminoquinoline; aromatic ether; N-substituted diamine	antimalarial	0	0		low	0	0	0	0	0	0
proglumetacin	0	aromatic ether; benzamides; carboxylic ester; monochlorobenzenes; N-acylindole; N-alkylpiperazine	antipyretic; EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor; lipoxygenase inhibitor; non-narcotic analgesic; non-steroidal anti-inflammatory drug; prodrug	0	0		low	0	0	0	0	0	0
propoxur	0	aromatic ether; carbamate ester	acaricide; agrochemical; carbamate insecticide; EC 3.1.1.7 (acetylcholinesterase) inhibitor	0	0		low	0	0	0	0	0	0
pyrilamine	0	aromatic ether; ethylenediamine derivative	H1-receptor antagonist	0	0		low	0	0	0	0	0	0
sulfadimethoxine	0	aromatic ether; pyrimidines; substituted aniline; sulfonamide antibiotic; sulfonamide	antiinfective agent; antimicrobial agent; drug allergen; environmental contaminant; xenobiotic	0	0		low	0	0	0	0	0	0
tetrahydropapaverine	0	aromatic ether; benzylisoquinoline alkaloid; benzyltetrahydroisoquinoline; polyether; secondary amino compound		0	0		low	0	0	0	0	0	0
tilorone	0	aromatic ether; diether; fluoren-9-ones; tertiary amino compound	anti-inflammatory agent; antineoplastic agent; antiviral agent; interferon inducer; nicotinic acetylcholine receptor agonist	0	0		low	0	0	0	0	0	0
ultram	0	aromatic ether; tertiary alcohol; tertiary amino compound		0	0		low	0	0	0	0	0	0
triclosan	0	aromatic ether; dichlorobenzene; monochlorobenzenes; phenols	antibacterial agent; antimalarial; drug allergen; EC 1.3.1.9 [enoyl-[acyl-carrier-protein] reductase (NADH)] inhibitor; EC 1.5.1.3 (dihydrofolate reductase) inhibitor; fungicide; persistent organic pollutant; xenobiotic	0	0		low	0	0	0	0	0	0
viloxazine	0	aromatic ether		0	0		low	0	0	0	0	0	0
wb 4101	0	aromatic ether; benzodioxine; secondary amino compound	alpha-adrenergic antagonist	0	0		low	0	0	0	0	0	0
3,3',5-triiodothyropropionic acid	0	aromatic ether		0	0		low	0	0	0	0	0	0
methacetin	0	acetamides; aromatic ether		0	0		low	0	0	0	0	0	0
mestranol	0	17beta-hydroxy steroid; aromatic ether; terminal acetylenic compound	prodrug; xenoestrogen	0	0		low	0	0	0	0	0	0
visnagin	0	aromatic ether; furanochromone; polyketide	anti-inflammatory agent; antihypertensive agent; EC 1.1.1.37 (malate dehydrogenase) inhibitor; phytotoxin; plant metabolite; vasodilator agent	0	0		low	0	0	0	0	0	0
2-tert-butyl-4-hydroxyanisole	0	aromatic ether; phenols		0	0		low	0	0	0	0	0	0
mecoprop	0	aromatic ether; monocarboxylic acid; monochlorobenzenes		0	0		low	0	0	0	0	0	0
phenetidine	0	aromatic ether; substituted aniline		0	0		low	0	0	0	0	0	0
2-methyl-4-chlorophenoxy gamma-butyric acid	0	aromatic ether; monocarboxylic acid; monochlorobenzenes	environmental contaminant; phenoxy herbicide; xenobiotic	0	0		low	0	0	0	0	0	0
4-bromophenyl phenyl ether	0	aromatic ether; organobromine compound		0	0		low	0	0	0	0	0	0
di-(4-aminophenyl)ether	0	aromatic ether		0	0		low	0	0	0	0	0	0
phenyl ether	0	aromatic ether	plant metabolite	0	0		low	0	0	0	0	0	0
diglycidyl resorcinol ether	0	aromatic ether		0	0		low	0	0	0	0	0	0
phenetole	0	aromatic ether		0	0		low	0	0	0	0	0	0
scoparone	0	aromatic ether; coumarins	anti-allergic agent; anti-inflammatory agent; antihypertensive agent; antilipemic drug; immunosuppressive agent; plant metabolite	0	0		low	0	0	0	0	0	0
dimethoxyphenylethylamine	0	alkaloid; aromatic ether; phenylethylamine	allergen; plant metabolite	0	0		low	0	0	0	0	0	0
dichlorprop	0	aromatic ether; dichlorobenzene; monocarboxylic acid		0	0		low	0	0	0	0	0	0
3-tert-butyl-4-hydroxyanisole	0	aromatic ether; phenols	antioxidant; human xenobiotic metabolite	0	0		low	0	0	0	0	0	0
ethyl vanillin	0	aromatic ether; benzaldehydes; phenols	antioxidant; flavouring agent	0	0		low	0	0	0	0	0	0
benzethonium chloride	0	aromatic ether; chloride salt; quaternary ammonium salt	antibacterial agent; antifungal agent; antiseptic drug; antiviral agent; disinfectant	0	0		low	0	0	0	0	0	0
peucedanin	0	aromatic ether; furanocoumarin; lactone	plant metabolite	0	0		low	0	0	0	0	0	0
phenetidine	0	aromatic ether; primary amino compound; substituted aniline	drug metabolite	0	0		low	0	0	0	0	0	0
6-methoxybenzoxazolinone	0	aromatic ether; benzoxazole	antibacterial agent; anticonvulsant; antifungal agent; muscle relaxant; plant metabolite	0	0		low	0	0	0	0	0	0
3-anisidine	0	aromatic ether; substituted aniline		0	0		low	0	0	0	0	0	0
domiphen bromide	0	aromatic ether		0	0		low	0	0	0	0	0	0
dibrompropamidine	0	aromatic ether		0	0		low	0	0	0	0	0	0
4-Ethoxyphenol	0	aromatic ether; phenols		0	0		low	0	0	0	0	0	0
bulbocapnine	0	aporphine alkaloid; aromatic ether; oxacycle; phenols	EC 1.14.16.2 (tyrosine 3-monooxygenase) inhibitor; EC 1.4.3.22 (diamine oxidase) inhibitor; plant metabolite	0	0		low	0	0	0	0	0	0
benzydamine	0	aromatic ether; indazoles; tertiary amino compound	analgesic; central nervous system stimulant; hallucinogen; local anaesthetic; non-steroidal anti-inflammatory drug	0	0		low	0	0	0	0	0	0
xylocholine	0	aromatic ether		0	0		low	0	0	0	0	0	0
3-methoxycatechol	0	aromatic ether; catechols	G-protein-coupled receptor agonist	0	0		low	0	0	0	0	0	0
2-phenoxypropanoic acid	0	aromatic ether; carboxylic acid		0	0		low	0	0	0	0	0	0
6-methoxyquinoline	0	aromatic ether; quinolines		0	0		low	0	0	0	0	0	0
metaxalone	0	aromatic ether		0	0		low	0	0	0	0	0	0
heliamine	0	aromatic ether; diether; isoquinoline alkaloid; isoquinolines	plant metabolite	0	0		low	0	0	0	0	0	0
2,4,6-trichlorophenyl 4-nitrophenyl ether	0	aromatic ether; C-nitro compound; chlorobenzenes	EC 1.3.3.4 (protoporphyrinogen oxidase) inhibitor; herbicide	0	0		low	0	0	0	0	0	0
etridiazol	0	aromatic ether; organochlorine compound; thiadiazole antifungal agent; thiadiazoles	antifungal agrochemical; nitrification inhibitor	0	0		low	0	0	0	0	0	0
toliprolol	0	aromatic ether		0	0		low	0	0	0	0	0	0
5-methoxyindoleacetic acid	0	aromatic ether; indole-3-acetic acids	antibacterial agent; Brassica napus metabolite; carcinogenic agent; human urinary metabolite; marine xenobiotic metabolite; rat metabolite	0	0		low	0	0	0	0	0	0
iproclozide	0	aromatic ether		0	0		low	0	0	0	0	0	0
phenoxyacetic acid	0	aromatic ether; monocarboxylic acid	allergen; Aspergillus metabolite; human xenobiotic metabolite; plant growth retardant	0	0		low	0	0	0	0	0	0
nafenopin	0	aromatic ether; monocarboxylic acid		0	0		low	0	0	0	0	0	0
methyl vanillate	0	aromatic ether; benzoate ester; phenols	antioxidant; plant metabolite	0	0		low	0	0	0	0	0	0
5-methoxyindole-2-carboxylic acid	0	aromatic ether; indolecarboxylic acid	EC 1.8.1.4 (dihydrolipoyl dehydrogenase) inhibitor; hypoglycemic agent; plant metabolite	0	0		low	0	0	0	0	0	0
2-isopropoxyphenol	0	aromatic ether; phenols		0	0		low	0	0	0	0	0	0
dehydroemetine	0	aromatic ether; isoquinolines; pyridoisoquinoline	antileishmanial agent; antimalarial; antiprotozoal drug	0	0		low	0	0	0	0	0	0
1,2-epoxy-3-(p-nitrophenoxy)propane	0	aromatic ether; C-nitro compound; epoxide		0	0		low	0	0	0	0	0	0
laurolitsine	0	aporphine alkaloid; aromatic ether; phenols	HIV-1 integrase inhibitor; metabolite	0	0		low	0	0	0	0	0	0
metocurine iodide	0	aromatic ether		0	0		low	0	0	0	0	0	0
ac 45594	0	aromatic ether		0	0		low	0	0	0	0	0	0
3-phenoxybenzylalcohol	0	aromatic ether; benzyl alcohols	marine xenobiotic metabolite	0	0		low	0	0	0	0	0	0
devrinol	0	aromatic ether; monocarboxylic acid amide; naphthalenes		0	0		low	0	0	0	0	0	0
fluorodifen	0	aromatic ether		0	0		low	0	0	0	0	0	0
acridine half-mustard	0	aminoacridines; aromatic ether; organochlorine compound; secondary amino compound	mutagen	0	0		low	0	0	0	0	0	0
precocene i	0	aromatic ether; chromenes	plant metabolite; precocenes	0	0		low	0	0	0	0	0	0
oxadiazon	0	aromatic ether		0	0		low	0	0	0	0	0	0
lofexidine	0	aromatic ether; carboxamidine; dichlorobenzene; imidazoles	alpha-adrenergic agonist; antihypertensive agent	0	0		low	0	0	0	0	0	0
alclofenac	0	aromatic ether; monocarboxylic acid; monochlorobenzenes	drug allergen; non-narcotic analgesic; non-steroidal anti-inflammatory drug	0	0		low	0	0	0	0	0	0
phenylglycidyl ether	0	aromatic ether		0	0		low	0	0	0	0	0	0
phenoxyethanol	0	aromatic ether; glycol ether; primary alcohol	antiinfective agent; central nervous system depressant	0	0		low	0	0	0	0	0	0
metipranolol	0	acetate ester; aromatic ether; propanolamine; secondary amino compound	anti-arrhythmia drug; antiglaucoma drug; antihypertensive agent; beta-adrenergic antagonist	0	0		low	0	0	0	0	0	0
silybin	0	aromatic ether; benzodioxine; flavonolignan; polyphenol; secondary alpha-hydroxy ketone	antineoplastic agent; antioxidant; hepatoprotective agent; plant metabolite	0	0		low	0	0	0	0	0	0
oxamethacin	0	aromatic ether; hydroxamic acid; N-acylindole; organochlorine compound	EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor; non-narcotic analgesic; non-steroidal anti-inflammatory drug	0	0		low	0	0	0	0	0	0
canadine	0	aromatic ether; berberine alkaloid; organic heteropentacyclic compound; oxacycle		0	0		low	0	0	0	0	0	0
7-ethoxycoumarin	0	aromatic ether; coumarins		0	0		low	0	0	0	0	0	0
medifoxamine	0	aromatic ether		0	0		low	0	0	0	0	0	0
chlormethoxynil	0	aromatic ether		0	0		low	0	0	0	0	0	0
climbazole	0	aromatic ether; hemiaminal ether; imidazoles; ketone; monochlorobenzenes		0	0		low	0	0	0	0	0	0
4-hexyloxyaniline	0	aromatic ether; substituted aniline		0	0		low	0	0	0	0	0	0
ticrynafen	0	aromatic ether; aromatic ketone; dichlorobenzene; monocarboxylic acid; thiophenes	antihypertensive agent; hepatotoxic agent; loop diuretic	0	0		low	0	0	0	0	0	0
2-(4-(2,4-dichlorophenoxy)phenoxy)propionic acid	0	aromatic ether; dichlorobenzene; diether; monocarboxylic acid		0	0		low	0	0	0	0	0	0
bezafibrate	0	aromatic ether; monocarboxylic acid amide; monocarboxylic acid; monochlorobenzenes	antilipemic drug; environmental contaminant; geroprotector; xenobiotic	0	0		low	0	0	0	0	0	0
oxyfluorofen	0	aromatic ether	EC 1.3.3.4 (protoporphyrinogen oxidase) inhibitor; herbicide	0	0		low	0	0	0	0	0	0
triadimefon	0	aromatic ether; hemiaminal ether; ketone; monochlorobenzenes; triazoles		0	0		low	0	0	0	0	0	0
levobunolol	0	aromatic ether; cyclic ketone; propanolamine	antiglaucoma drug; beta-adrenergic antagonist	0	0		low	0	0	0	0	0	0
dichlorfop-methyl	0	aromatic ether; dichlorobenzene; diether; methyl ester		0	0		low	0	0	0	0	0	0
decamethrin	0	aromatic ether; cyclopropanecarboxylate ester; nitrile; organobromine compound	agrochemical; antifeedant; calcium channel agonist; EC 3.1.3.16 (phosphoprotein phosphatase) inhibitor; pyrethroid ester insecticide	0	0		low	0	0	0	0	0	0
triadimenol	0	aromatic ether; conazole fungicide; hemiaminal ether; monochlorobenzenes; secondary alcohol; triazole fungicide	antifungal agrochemical; EC 1.14.13.70 (sterol 14alpha-demethylase) inhibitor; xenobiotic metabolite	0	0		low	0	0	0	0	0	0
triclopyr	0	aromatic ether; chloropyridine; monocarboxylic acid	agrochemical; environmental contaminant; herbicide; xenobiotic	0	0		low	0	0	0	0	0	0
prenalterol	0	aromatic ether		0	0		low	0	0	0	0	0	0
st 1059	0	aromatic ether; primary amino compound; secondary alcohol	alpha-adrenergic agonist; sympathomimetic agent; vasoconstrictor agent	0	0		low	0	0	0	0	0	0
paroxetine	0	aromatic ether; benzodioxoles; organofluorine compound; piperidines	antidepressant; anxiolytic drug; hepatotoxic agent; P450 inhibitor; serotonin uptake inhibitor	0	0		low	0	0	0	0	0	0
acifluorfen	0	aromatic ether; benzoic acids; C-nitro compound; monocarboxylic acid; organochlorine compound; organofluorine compound	agrochemical; EC 1.3.3.4 (protoporphyrinogen oxidase) inhibitor; herbicide	0	0		low	0	0	0	0	0	0
bopindolol	0	aromatic ether; benzoate ester; methylindole; secondary amino compound		0	0		low	0	0	0	0	0	0
fenpropathrin, (+-)-isomer	0	aromatic ether; cyclopropanecarboxylate ester	agrochemical; pyrethroid ester acaricide; pyrethroid ester insecticide	0	0		low	0	0	0	0	0	0
triflumuron	0	aromatic ether; benzoylurea insecticide; monochlorobenzenes; organofluorine compound		0	0		low	0	0	0	0	0	0
flutolanil	0	(trifluoromethyl)benzenes; aromatic ether; benzamides; benzanilide fungicide	antifungal agrochemical; EC 1.3.5.1 [succinate dehydrogenase (quinone)] inhibitor	0	0		low	0	0	0	0	0	0
fenoxaprop ethyl	0	aromatic ether		0	0		low	0	0	0	0	0	0
triclabendazole	0	aromatic ether		0	0		low	0	0	0	0	0	0
4,5-amino-3,5-dichloro-6-fluoro-2-pyridinyloxyacetic acid	0	aminopyridine; aromatic ether; monocarboxylic acid; organochlorine compound; organofluorine compound	environmental contaminant; herbicide; xenobiotic	0	0		low	0	0	0	0	0	0
fluvalinate	0	(trifluoromethyl)benzenes; aromatic ether; monochlorobenzenes; nitrile; organochlorine acaricide; organochlorine insecticide; organofluorine acaricide; organofluorine insecticide	agrochemical; pyrethroid ester acaricide; pyrethroid ester insecticide	0	0		low	0	0	0	0	0	0
haloxyfop	0	aromatic ether; monocarboxylic acid; organochlorine compound; organofluorine compound; pyridines		0	0		low	0	0	0	0	0	0
fluazifop-butyl	0	aromatic ether; carboxylic ester; organofluorine compound; pyridines		0	0		low	0	0	0	0	0	0
fomesafen	0	aromatic ether; C-nitro compound; monochlorobenzenes; N-sulfonylcarboxamide; organofluorine compound; phenols	agrochemical; EC 1.3.3.4 (protoporphyrinogen oxidase) inhibitor; herbicide	0	0		low	0	0	0	0	0	0
fenoxycarb	0	aromatic ether; carbamate ester	environmental contaminant; insecticide; juvenile hormone mimic; xenobiotic	0	0		low	0	0	0	0	0	0
quizalofop-ethyl	0	aromatic ether; ethyl ester; organochlorine compound; quinoxaline derivative		0	0		low	0	0	0	0	0	0
cetamolol	0	aromatic ether		0	0		low	0	0	0	0	0	0
atomoxetine	0	aromatic ether; secondary amino compound; toluenes	adrenergic uptake inhibitor; antidepressant; environmental contaminant; xenobiotic	0	0		low	0	0	0	0	0	0
methyl bensulfuron	0	aromatic ether; methyl ester; N-sulfonylurea; pyrimidines	agrochemical; EC 2.2.1.6 (acetolactate synthase) inhibitor; herbicide	0	0		low	0	0	0	0	0	0
itraconazole	0	aromatic ether; conazole antifungal drug; cyclic ketal; dichlorobenzene; dioxolane; N-arylpiperazine; triazole antifungal drug; triazoles	EC 3.6.3.44 (xenobiotic-transporting ATPase) inhibitor; Hedgehog signaling pathway inhibitor; P450 inhibitor	0	0		low	0	0	0	0	0	0
loxtidine	0	aromatic ether; piperidines; primary alcohol; triazoles	H2-receptor antagonist	0	0		low	0	0	0	0	0	0
disoxaril	0	aromatic ether		0	0		low	0	0	0	0	0	0
chlorimuron ethyl	0	aromatic ether; ethyl ester; N-sulfonylurea; organochlorine pesticide; pyrimidines; sulfamoylbenzoate	agrochemical; EC 2.2.1.6 (acetolactate synthase) inhibitor; proherbicide	0	0		low	0	0	0	0	0	0
tepoxalin	0	aromatic ether; hydroxamic acid; monochlorobenzenes; pyrazoles	antipyretic; apoptosis inhibitor; EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor; immunomodulator; lipoxygenase inhibitor; non-narcotic analgesic; non-steroidal anti-inflammatory drug	0	0		low	0	0	0	0	0	0
esmolol	0	aromatic ether; ethanolamines; methyl ester; secondary alcohol; secondary amino compound		0	0		low	0	0	0	0	0	0
pioglitazone hydrochloride	0	aromatic ether		0	0		low	0	0	0	0	0	0
aripiprazole	0	aromatic ether; delta-lactam; dichlorobenzene; N-alkylpiperazine; N-arylpiperazine; quinolone	drug metabolite; H1-receptor antagonist; second generation antipsychotic; serotonergic agonist	0	0		low	0	0	0	0	0	0
sulfametrole	0	aromatic ether; substituted aniline; sulfonamide antibiotic; thiadiazoles		0	0		low	0	0	0	0	0	0
propamidine	0	aromatic ether; guanidines; polyether	antimicrobial agent; antiseptic drug	0	0		low	0	0	0	0	0	0
hexamidine	0	aromatic ether; guanidines; polyether	antimicrobial agent; antiseptic drug	0	0		low	0	0	0	0	0	0
o-4-methylthymine	0	aromatic ether; methylthymine	human metabolite	0	0		low	0	0	0	0	0	0
fenclofenac	0	aromatic ether		0	0		low	0	0	0	0	0	0
tetraiodothyroacetic acid	0	2-halophenol; aromatic ether; iodophenol; monocarboxylic acid	apoptosis inducer; human metabolite; thyroid hormone	0	0		low	0	0	0	0	0	0
fluazuron	0	aromatic ether; chloropyridine; monochlorobenzenes; N-acylurea; organochlorine acaricide; organofluorine acaricide; phenylureas	acaricide; mite growth regulator	0	0		low	0	0	0	0	0	0
etiroxate	0	aromatic ether		0	0		low	0	0	0	0	0	0
etofamide	0	aromatic ether		0	0		low	0	0	0	0	0	0
d 888	0	aromatic ether; nitrile; tertiary amino compound	anti-arrhythmia drug; calcium channel blocker; vasodilator agent	0	0		low	0	0	0	0	0	0
esreboxetine	0	aromatic ether		0	0		low	0	0	0	0	0	0
guaethol	0	aromatic ether; phenols; volatile organic compound	flavouring agent	0	0		low	0	0	0	0	0	0
spiramide	0	aromatic ether; azaspiro compound; organofluorine compound; piperidines; tertiary amino compound	dopaminergic antagonist; serotonergic antagonist	0	0		low	0	0	0	0	0	0
5'-nitro-2'-propoxyacetanilide	0	aromatic ether; C-nitro compound		0	0		low	0	0	0	0	0	0
suberosin	0	aromatic ether; coumarins	anticoagulant; plant metabolite	0	0		low	0	0	0	0	0	0
4-methoxyestradiol	0	17beta-hydroxy steroid; 3-hydroxy steroid; aromatic ether; phenols	estrogen; human metabolite; rat metabolite	0	0		low	0	0	0	0	0	0
toltrazuril	0	aromatic ether		0	0		low	0	0	0	0	0	0
plafibride	0	aromatic ether		0	0		low	0	0	0	0	0	0
cinitapride	0	aromatic ether; C-nitro compound		0	0		low	0	0	0	0	0	0
isoscopoletin	0	aromatic ether; hydroxycoumarin	plant metabolite	0	0		low	0	0	0	0	0	0
ethofenprox	0	aromatic ether	pyrethroid ether insecticide	0	0		low	0	0	0	0	0	0
uk 68798	0	aromatic ether; sulfonamide; tertiary amino compound	anti-arrhythmia drug; potassium channel blocker	0	0		low	0	0	0	0	0	0
hp 873	0	1,2-benzoxazoles; aromatic ether; aromatic ketone; methyl ketone; monoamine; organofluorine compound; piperidines; tertiary amino compound	dopaminergic antagonist; second generation antipsychotic; serotonergic antagonist	0	0		low	0	0	0	0	0	0
fenoxypropazine	0	aromatic ether		0	0		low	0	0	0	0	0	0
fluphenacur	0	aromatic ether; benzoylurea insecticide; dichlorobenzene; N-acylurea; organofluorine compound		0	0		low	0	0	0	0	0	0
amezinium	0	aromatic ether; primary arylamine; pyridazinium ion	adrenergic uptake inhibitor; antihypotensive agent; EC 1.4.3.4 (monoamine oxidase) inhibitor; sympathomimetic agent	0	0		low	0	0	0	0	0	0
rubrofusarin	0	aromatic ether; benzochromenone; phenols; polyketide	biological pigment; EC 1.14.18.1 (tyrosinase) inhibitor; fungal metabolite	0	0		low	0	0	0	0	0	0
triasulfuron	0	1,3,5-triazines; aromatic ether; N-sulfonylurea; organochlorine compound	agrochemical; herbicide	0	0		low	0	0	0	0	0	0
dauricine	0	aromatic ether; bisbenzylisoquinoline alkaloid; isoquinolines; phenols; tertiary amino compound	plant metabolite	0	0		low	0	0	0	0	0	0
uvaretin	0	aromatic ether; dihydrochalcones; polyketide; resorcinol	antineoplastic agent; plant metabolite	0	0		low	0	0	0	0	0	0
fangchinoline	0	aromatic ether; bisbenzylisoquinoline alkaloid; macrocycle	anti-HIV-1 agent; anti-inflammatory agent; antineoplastic agent; antioxidant; neuroprotective agent; plant metabolite	0	0		low	0	0	0	0	0	0
prochloraz	0	amide fungicide; aromatic ether; conazole fungicide; imidazole fungicide; imidazoles; trichlorobenzene; ureas	antifungal agrochemical; EC 1.14.13.70 (sterol 14alpha-demethylase) inhibitor; environmental contaminant; xenobiotic	0	0		low	0	0	0	0	0	0
stictic acid	0	aromatic ether		0	0		low	0	0	0	0	0	0
pramoxine hydrochloride	0	aromatic ether		0	0		low	0	0	0	0	0	0
4-methoxybenzylamine	0	aralkylamino compound; aromatic ether; primary amino compound		0	0		low	0	0	0	0	0	0
xanthurenic acid 8-methyl ether	0	aromatic ether; monohydroxyquinoline; quinolinemonocarboxylic acid	carcinogenic agent; metabolite; mouse metabolite	0	0		low	0	0	0	0	0	0
adriamycinol	0	aminoglycoside; anthracycline antibiotic; aromatic ether; deoxy hexoside; p-quinones; phenols; polyol; tetracenequinones	cardiotoxic agent; drug metabolite	0	0		low	0	0	0	0	0	0
difenoconazole	0	aromatic ether; conazole fungicide; cyclic ketal; dioxolane; triazole fungicide; triazoles	antifungal agrochemical; EC 1.14.13.70 (sterol 14alpha-demethylase) inhibitor; environmental contaminant; xenobiotic	0	0		low	0	0	0	0	0	0
a 8947	0	aromatic ether; biaryl; N-sulfonylurea; pyrazole pesticide; tetrazoles	EC 2.2.1.6 (acetolactate synthase) inhibitor; herbicide	0	0		low	0	0	0	0	0	0
thifluzamide	0	1,3-thiazoles; anilide fungicide; aromatic amide; aromatic ether; dibromobenzene; organofluorine compound	antifungal agrochemical; EC 1.3.5.1 [succinate dehydrogenase (quinone)] inhibitor	0	0		low	0	0	0	0	0	0
ethylhydrocupreine	0	aromatic ether; cinchona alkaloid	EC 3.6.3.10 (H(+)/K(+)-exchanging ATPase) inhibitor	0	0		low	0	0	0	0	0	0
7,8-dihydromethysticin	0	2-pyranones; aromatic ether		0	0		low	0	0	0	0	0	0
4,5-dimethoxy-2-nitrobenzaldehyde	0	aromatic ether; C-nitro compound		0	0		low	0	0	0	0	0	0
bisphenol f diglycidyl ether	0	aromatic ether; diarylmethane; epoxide		0	0		low	0	0	0	0	0	0
oryzemate	0	1,2-benzisothiazole; aromatic ether; benzothiazole fungicide; sulfone	antifungal agrochemical; plant activator	0	0		low	0	0	0	0	0	0
bitertanol	0	aromatic ether; biphenyls; secondary alcohol; triazoles		0	0		low	0	0	0	0	0	0
fluazifop	0	aromatic ether; monocarboxylic acid; organofluorine compound; pyridines		0	0		low	0	0	0	0	0	0
diflufenican	0	(trifluoromethyl)benzenes; aromatic ether; pyridinecarboxamide	carotenoid biosynthesis inhibitor; environmental contaminant; herbicide; xenobiotic	0	0		low	0	0	0	0	0	0
hexafluoron	0	aromatic ether; benzoylurea insecticide; dichlorobenzene; N-acylurea; organochlorine insecticide; organofluorine insecticide		0	0		low	0	0	0	0	0	0
diethofencarb	0	aromatic ether; carbamate ester; carbanilate fungicide	antifungal agrochemical	0	0		low	0	0	0	0	0	0
pyriproxyfen	0	aromatic ether; pyridines	juvenile hormone mimic	0	0		low	0	0	0	0	0	0
methyl 2-(((((4-ethoxy-6-(methylamino)-1,3,5-triazin-2-yl)amino)carbonyl)amino)sulfonyl)benzoate	0	aromatic ether; benzoate ester; diamino-1,3,5-triazine; methyl ester; N-sulfonylurea	EC 2.2.1.6 (acetolactate synthase) inhibitor; herbicide	0	0		low	0	0	0	0	0	0
dpx e9636	0	aromatic ether; N-sulfonylurea; pyridines; pyrimidines; sulfone	environmental contaminant; herbicide; xenobiotic	0	0		low	0	0	0	0	0	0
aclonifen	0	aromatic ether; C-nitro compound; monochlorobenzenes; primary amino compound; substituted aniline	agrochemical; carotenoid biosynthesis inhibitor; EC 1.3.3.4 (protoporphyrinogen oxidase) inhibitor; herbicide	0	0		low	0	0	0	0	0	0
cinosulfuron	0	aromatic ether		0	0		low	0	0	0	0	0	0
clodinafop-propargyl	0	aromatic ether; carboxylic ester; organochlorine compound; organofluorine compound; propyzamide; pyridines	agrochemical; EC 6.4.1.2 (acetyl-CoA carboxylase) inhibitor; herbicide	0	0		low	0	0	0	0	0	0
triflusulfuron-methyl	0	1,3,5-triazines; aromatic ether; benzoate ester; methyl ester; N-sulfonylurea; organofluorine compound; tertiary amino compound	agrochemical; EC 2.2.1.6 (acetolactate synthase) inhibitor; proherbicide	0	0		low	0	0	0	0	0	0
vestitol	0	aromatic ether; hydroxyisoflavans; methoxyisoflavan	anti-inflammatory agent; phytoalexin; plant metabolite	0	0		low	0	0	0	0	0	0
laudanine	0	aromatic ether; benzylisoquinoline alkaloid; benzyltetrahydroisoquinoline; phenols; racemate		0	0		low	0	0	0	0	0	0
cryptopleurine	0	alkaloid antibiotic; alkaloid; aromatic ether; organic heteropentacyclic compound	antineoplastic agent; antiviral agent; protein synthesis inhibitor	0	0		low	0	0	0	0	0	0
6-hydroxymethylmexiletine	0	aromatic ether		0	0		low	0	0	0	0	0	0
4-hydroxymexiletine	0	aromatic ether; phenols		0	0		low	0	0	0	0	0	0
cloquintocet-mexyl	0	aromatic ether; carboxylic ester; organochlorine compound; quinolines		0	0		low	0	0	0	0	0	0
novaluron	0	aromatic ether; benzoylurea insecticide; monochlorobenzenes; organofluorine compound		0	0		low	0	0	0	0	0	0
bursehernin	0	aromatic ether; benzodioxoles; butan-4-olide; lignan	plant metabolite	0	0		low	0	0	0	0	0	0
2,2',4,4'-tetrabromodiphenyl ether	0	aromatic ether; organobromine compound		0	0		low	0	0	0	0	0	0
allocryptopine	0	aromatic ether; cyclic acetal; cyclic ketone; dibenzazecine alkaloid; organic heterotetracyclic compound; tertiary amino compound		0	0		low	0	0	0	0	0	0
sporidesmin	0	aromatic ether; cyclic ketone; diketone; organic disulfide; organic heteropentacyclic compound; organochlorine compound; secondary alcohol; tertiary alcohol; tertiary amino compound	mycotoxin; Wnt signalling activator	0	0		low	0	0	0	0	0	0
syringaresinol	0	aromatic ether; furofuran; lignan; polyether; polyphenol	plant metabolite	0	0		low	0	0	0	0	0	0
p-methoxy-n-methylphenethylamine	0	aromatic ether; secondary amino compound	metabolite	0	0		low	0	0	0	0	0	0
u 73122	0	aromatic ether; aza-steroid; maleimides	EC 3.1.4.11 (phosphoinositide phospholipase C) inhibitor	0	0		low	0	0	0	0	0	0
cyfluthrin	0	aromatic ether; cyclopropanecarboxylate ester; nitrile; organochlorine compound; organofluorine compound	agrochemical; pyrethroid ester insecticide	0	0		low	0	0	0	0	0	0
norverapamil	0	aromatic ether; nitrile; polyether; secondary amino compound		0	0		low	0	0	0	0	0	0
fumitremorgin a	0	aromatic ether; diol; indole alkaloid; organic heterohexacyclic compound; organic peroxide	mycotoxin	0	0		low	0	0	0	0	0	0
deguelin	0	aromatic ether; diether; organic heteropentacyclic compound; rotenones	angiogenesis inhibitor; anti-inflammatory agent; antineoplastic agent; antiviral agent; apoptosis inducer; EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor; mitochondrial NADH:ubiquinone reductase inhibitor; plant metabolite	0	0		low	0	0	0	0	0	0
aristolochic acid ii	0	aristolochic acids; aromatic ether; C-nitro compound; cyclic acetal; monocarboxylic acid; organic heterotetracyclic compound	carcinogenic agent; metabolite; mutagen; nephrotoxin; toxin	0	0		low	0	0	0	0	0	0
tephrosin	0	aromatic ether; cyclic ketone; organic heteropentacyclic compound; rotenones	antineoplastic agent; metabolite; pesticide	0	0		low	0	0	0	0	0	0
alpha-hydroxymetoprolol	0	aromatic ether		0	0		low	0	0	0	0	0	0
5-(tetradecyloxy)-2-furancarboxylic acid	0	aromatic ether; furoic acid	antineoplastic agent; apoptosis inducer; EC 6.4.1.2 (acetyl-CoA carboxylase) inhibitor; PPARalpha agonist	0	0		low	0	0	0	0	0	0
tafenoquine	0	(trifluoromethyl)benzenes; aminoquinoline; aromatic ether; primary amino compound; secondary amino compound		0	0		low	0	0	0	0	0	0
5-hydroxymethylomeprazole	0	aromatic ether; benzimidazoles; pyridines; sulfoxide	drug metabolite	0	0		low	0	0	0	0	0	0
mosapride	0	aromatic ether; benzamides; monochlorobenzenes; monofluorobenzenes; morpholines; secondary carboxamide; substituted aniline; tertiary amino compound		0	0		low	0	0	0	0	0	0
ym 12617	0	aromatic ether; secondary amino compound; sulfonamide		0	0		low	0	0	0	0	0	0
gefitinib	0	aromatic ether; monochlorobenzenes; monofluorobenzenes; morpholines; quinazolines; secondary amino compound; tertiary amino compound	antineoplastic agent; epidermal growth factor receptor antagonist	0	0		low	0	0	0	0	0	0
cgp 28392	0	aromatic ether		0	0		low	0	0	0	0	0	0
sodium-binding benzofuran isophthalate	0	1-benzofurans; aromatic ether; crown compound; tetracarboxylic acid	fluorochrome	0	0		low	0	0	0	0	0	0
garenoxacin	0	aromatic ether; cyclopropanes; isoindoles; organofluorine compound; quinolinemonocarboxylic acid; quinolone antibiotic	antibacterial drug; non-steroidal anti-inflammatory drug	0	0		low	0	0	0	0	0	0
ay 25545	0	acetate ester; aromatic ether; C-glycosyl compound; naphthoisochromene; olefinic compound; phenols; tertiary amine	antimicrobial agent; antineoplastic agent; bacterial metabolite	0	0		low	0	0	0	0	0	0
reboxetine	0	aromatic ether		0	0		low	0	0	0	0	0	0
b 823-08	0	aromatic ether		0	0		low	0	0	0	0	0	0
cyclazosin	0	aromatic amide; aromatic ether; furans; monocarboxylic acid amide; quinazolines; quinoxaline derivative	adenosine A2A receptor antagonist	0	0		low	0	0	0	0	0	0
ivabradine	0	aromatic ether; benzazepine; carbobicyclic compound; tertiary amino compound	cardiotonic drug	0	0		low	0	0	0	0	0	0
febuxostat	0	1,3-thiazolemonocarboxylic acid; aromatic ether; nitrile	EC 1.17.3.2 (xanthine oxidase) inhibitor	0	0		low	0	0	0	0	0	0
marsupsin	0	1-benzofurans; aromatic ether; polyphenol	antilipemic drug; hypoglycemic agent; metabolite	0	0		low	0	0	0	0	0	0
6,6'-bieckol	0	aromatic ether; oxacycle; phlorotannin	anti-HIV-1 agent; metabolite; radical scavenger	0	0		low	0	0	0	0	0	0
xibenolol	0	aromatic ether		0	0		low	0	0	0	0	0	0
cicloprolol	0	aromatic ether		0	0		low	0	0	0	0	0	0
chs 828	0	aromatic ether		0	0		low	0	0	0	0	0	0
2-(4-methoxyphenoxy)propanoic acid	0	aromatic ether; carboxylic acid		0	0		low	0	0	0	0	0	0
moxifloxacin	0	aromatic ether; cyclopropanes; fluoroquinolone antibiotic; pyrrolidinopiperidine; quinolinemonocarboxylic acid; quinolone antibiotic; quinolone	antibacterial drug	0	0		low	0	0	0	0	0	0
rp 73401	0	aromatic ether; benzamides; chloropyridine; monocarboxylic acid amide	anti-asthmatic drug; anti-inflammatory agent; bronchodilator agent; phosphodiesterase IV inhibitor	0	0		low	0	0	0	0	0	0
2,2',4,4',5,5'-hexabrominated diphenyl ether	0	aromatic ether; organobromine compound		0	0		low	0	0	0	0	0	0
varespladib	0	aromatic ether; benzenes; dicarboxylic acid monoamide; indoles; monocarboxylic acid; primary carboxamide	anti-inflammatory drug; antidote; EC 3.1.1.4 (phospholipase A2) inhibitor	0	0		low	0	0	0	0	0	0
birb 796	0	aromatic ether; morpholines; naphthalenes; pyrazoles; ureas	EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor; immunomodulator	0	0		low	0	0	0	0	0	0
schizandrin b	0	aromatic ether; cyclic acetal; organic heterotetracyclic compound; oxacycle; tannin	anti-asthmatic agent; anti-inflammatory agent; antilipemic drug; antioxidant; apoptosis inhibitor; hepatoprotective agent; nephroprotective agent; neuroprotective agent; plant metabolite	0	0		low	0	0	0	0	0	0
s 23121	0	aromatic ether; dicarboximide; monochlorobenzenes; monofluorobenzenes; pyrroline; terminal acetylenic compound		0	0		low	0	0	0	0	0	0
acrovestone	0	acetophenones; aromatic ether; olefinic compound; polyphenol	antioxidant; EC 1.14.18.1 (tyrosinase) inhibitor; plant metabolite	0	0		low	0	0	0	0	0	0
corytuberine	0	aporphine alkaloid; aromatic ether; organic heterotetracyclic compound; polyphenol; tertiary amino compound	plant metabolite	0	0		low	0	0	0	0	0	0
actinodaphine	0	aporphine alkaloid; aromatic ether; organic heteropentacyclic compound; phenols; secondary amino compound	antibacterial agent; antifungal agent; antineoplastic agent; apoptosis inducer; plant metabolite; platelet aggregation inhibitor; topoisomerase inhibitor	0	0		low	0	0	0	0	0	0
isohomovanillic acid	0	aromatic ether; phenols; phenylacetic acids	metabolite	0	0		low	0	0	0	0	0	0
3,5-diiodothyropropionic acid	0	aromatic ether; monocarboxylic acid; organoiodine compound; phenols		0	0		low	0	0	0	0	0	0
7,8-dihydro-5,6-dehydrokawain	0	2-pyranones; aromatic ether		0	0		low	0	0	0	0	0	0
4-amino-2-methoxypyrimidine	0	aminopyrimidine; aromatic ether; methylcytosine	metabolite	0	0		low	0	0	0	0	0	0
aristolochic acid D	0	aristolochic acids; aromatic ether; C-nitro compound; cyclic acetal; monocarboxylic acid; organic heterotetracyclic compound	carcinogenic agent; metabolite; nephrotoxin; toxin	0	0		low	0	0	0	0	0	0
myricanone	0	aromatic ether; cyclic ketone; diarylheptanoid; methoxybenzenes; phenols	antineoplastic agent; plant metabolite	0	0		low	0	0	0	0	0	0
pannarin	0	aldehyde; aromatic ether; depsidones; organic heterotricyclic compound; organochlorine compound; phenols	antimicrobial agent; antineoplastic agent; apoptosis inducer; lichen metabolite	0	0		low	0	0	0	0	0	0
aminopotentidine	0	aromatic ether; benzamides; guanidines; nitrile; piperidines; substituted aniline	H2-receptor antagonist	0	0		low	0	0	0	0	0	0
aristolochic acid c	0	aristolochic acids; aromatic ether; C-nitro compound; cyclic acetal; monocarboxylic acid; organic heterotetracyclic compound	carcinogenic agent; metabolite; mutagen; nephrotoxin; toxin	0	0		low	0	0	0	0	0	0
pluviatolide	0	aromatic ether; benzodioxoles; butan-4-olide; lignan; phenols	plant metabolite	0	0		low	0	0	0	0	0	0
erysodine	0	aromatic ether; diether; Erythrina alkaloid; organic heterotetracyclic compound; phenols	antiparasitic agent; nicotinic antagonist; phytogenic insecticide	0	0		low	0	0	0	0	0	0
erlotinib	0	aromatic ether; quinazolines; secondary amino compound; terminal acetylenic compound	antineoplastic agent; epidermal growth factor receptor antagonist; protein kinase inhibitor	0	0		low	0	0	0	0	0	0
rubrofusarin B	0	aromatic ether; benzochromenone; naphtho-gamma-pyrone; phenols; polyketide	Aspergillus metabolite	0	0		low	0	0	0	0	0	0
ly 293111	0	aromatic ether		0	0		low	0	0	0	0	0	0
enrasentan	0	aromatic ether; benzodioxoles; indanes; monocarboxylic acid; monomethoxybenzene; primary alcohol	antihypertensive agent; endothelin receptor antagonist	0	0		low	0	0	0	0	0	0
quizalofop	0	aromatic ether; monocarboxylic acid; organochlorine compound; quinoxaline derivative		0	0		low	0	0	0	0	0	0
cyhalofop-butyl	0	aromatic ether		0	0		low	0	0	0	0	0	0
cyperin	0	aromatic ether		0	0		low	0	0	0	0	0	0
etravirine	0	aminopyrimidine; aromatic ether; dinitrile; organobromine compound	antiviral agent; HIV-1 reverse transcriptase inhibitor	0	0		low	0	0	0	0	0	0
5-o-methyllicoricidin	0	aromatic ether; hydroxyisoflavans; methoxyisoflavan	antibacterial agent; plant metabolite	0	0		low	0	0	0	0	0	0
pronuciferine	0	aromatic ether; cyclic ketone; isoquinoline alkaloid; isoquinolines; organic heterotetracyclic compound	plant metabolite	0	0		low	0	0	0	0	0	0
dronedarone	0	1-benzofurans; aromatic ether; aromatic ketone; sulfonamide; tertiary amino compound	anti-arrhythmia drug; environmental contaminant; xenobiotic	0	0		low	0	0	0	0	0	0
famoxadone	0	aromatic ether; carbohydrazide; oxazolidinone		0	0		low	0	0	0	0	0	0
cimicoxib	0	aromatic ether; imidazoles; organochlorine compound; organofluorine compound; sulfonamide	cyclooxygenase 2 inhibitor; non-steroidal anti-inflammatory drug	0	0		low	0	0	0	0	0	0
sorafenib	0	(trifluoromethyl)benzenes; aromatic ether; monochlorobenzenes; phenylureas; pyridinecarboxamide	angiogenesis inhibitor; anticoronaviral agent; antineoplastic agent; EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor; ferroptosis inducer; tyrosine kinase inhibitor	0	0		low	0	0	0	0	0	0
dabuzalgron	0	aromatic ether; imidazoles; monochlorobenzenes; sulfonamide	alpha-adrenergic agonist	0	0		low	0	0	0	0	0	0
fonsecin	0	aromatic ether; cyclic hemiketal; heptaketide; naphtho-gamma-pyrone; phenols	Aspergillus metabolite; marine metabolite	0	0		low	0	0	0	0	0	0
lasofoxifene	0	aromatic ether; N-alkylpyrrolidine; naphthols; tetralins	antineoplastic agent; bone density conservation agent; cardioprotective agent; estrogen receptor agonist; estrogen receptor antagonist	0	0		low	0	0	0	0	0	0
(+-)-Dihydromethysticin	0	2-pyranones; aromatic ether		0	0		low	0	0	0	0	0	0
2-[2-[2-(2-aminophenoxy)ethoxy]ethoxy]aniline	0	aromatic ether; substituted aniline		0	0		low	0	0	0	0	0	0
chondocurine (1beta)-(+-)-isomer	0	aromatic ether		0	0		low	0	0	0	0	0	0
1-methyl-4-prop-2-enoxy-2-pyrimidinone	0	aromatic ether; pyrimidone		0	0		low	0	0	0	0	0	0
noscapine	0	aromatic ether; benzylisoquinoline alkaloid; cyclic acetal; isobenzofuranone; organic heterobicyclic compound; organic heterotricyclic compound; tertiary amino compound	antineoplastic agent; antitussive; apoptosis inducer; plant metabolite	0	0		low	0	0	0	0	0	0
4-[4-(3-methyl-4-nitrophenoxy)butoxy]benzonitrile	0	aromatic ether; C-nitro compound		0	0		low	0	0	0	0	0	0
lariciresinol	0	aromatic ether; lignan; oxolanes; phenols; primary alcohol	antifungal agent; plant metabolite	0	0		low	0	0	0	0	0	0
tryptoquivaline	0	aromatic ether; indole alkaloid; organic heteropentacyclic compound	breast cancer resistance protein inhibitor; mycotoxin	0	0		low	0	0	0	0	0	0
2-methoxyestrone	0	17-oxo steroid; 3-hydroxy steroid; alicyclic ketone; aromatic ether; phenolic steroid; phenols	human metabolite; mouse metabolite	0	0		low	0	0	0	0	0	0
win 54954	0	aromatic ether		0	0		low	0	0	0	0	0	0
silychristin	0	1-benzofurans; aromatic ether; flavonolignan; polyphenol; secondary alpha-hydroxy ketone	lipoxygenase inhibitor; metabolite; prostaglandin antagonist; radical scavenger	0	0		low	0	0	0	0	0	0
cleomiscosin a	0	aromatic ether; delta-lactone; organic heterotricyclic compound; phenols; primary alcohol	anti-inflammatory agent; metabolite	0	0		low	0	0	0	0	0	0
bispyribac	0	aromatic ether; benzoic acids; monocarboxylic acid; pyrimidines	herbicide	0	0		low	0	0	0	0	0	0
petunidin-3-glucoside	0	anthocyanin cation; aromatic ether; beta-D-glucoside	antioxidant; metabolite	0	0		low	0	0	0	0	0	0
malvidin-3-glucoside	0	anthocyanin cation; aromatic ether; beta-D-glucoside	metabolite	0	0		low	0	0	0	0	0	0
dioncophylline c	0	aromatic ether; biaryl; isoquinoline alkaloid; isoquinolines; methoxynaphthalene; methylnaphthalenes; naphthols	antimalarial; antiplasmodial drug; metabolite	0	0		low	0	0	0	0	0	0
stigmatellin	0	aromatic ether; chromones; olefinic compound; phenols	bacterial metabolite; quinol oxidation site inhibitor	0	0		low	0	0	0	0	0	0
roflumilast	0	aromatic ether; benzamides; chloropyridine; cyclopropanes; organofluorine compound	anti-asthmatic drug; phosphodiesterase IV inhibitor	0	0		low	0	0	0	0	0	0
teniposide	0	aromatic ether; beta-D-glucoside; cyclic acetal; furonaphthodioxole; gamma-lactone; monosaccharide derivative; phenols; thiophenes	antineoplastic agent; EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor	0	0		low	0	0	0	0	0	0
prinomastat	0	aromatic ether; hydroxamic acid; pyridines; sulfonamide; thiomorpholines	antineoplastic agent; EC 3.4.24.35 (gelatinase B) inhibitor; matrix metalloproteinase inhibitor	0	0		low	0	0	0	0	0	0
posaconazole	0	aromatic ether; conazole antifungal drug; N-arylpiperazine; organofluorine compound; oxolanes; triazole antifungal drug; triazoles	trypanocidal drug	0	0		low	0	0	0	0	0	0
gancaonin I	0	1-benzofurans; aromatic ether; resorcinols	antibacterial agent; plant metabolite	0	0		low	0	0	0	0	0	0
glycyrin	0	aromatic ether; coumarins; hydroxyisoflavans	antibacterial agent; metabolite; plant metabolite	0	0		low	0	0	0	0	0	0
glyasperin D	0	aromatic ether; hydroxyisoflavans; methoxyisoflavan	plant metabolite	0	0		low	0	0	0	0	0	0
licoricidin	0	aromatic ether; hydroxyisoflavans; methoxyisoflavan	antibacterial agent; plant metabolite	0	0		low	0	0	0	0	0	0
egonol	0	1-benzofurans; aromatic ether; benzodioxoles; primary alcohol	plant metabolite	0	0		low	0	0	0	0	0	0
N-ethylharmine	0	aromatic ether; beta-carbolines; semisynthetic derivative	anti-HIV agent	0	0		low	0	0	0	0	0	0
pf 1163a	0	aromatic ether; lactam; macrolide antibiotic; secondary alcohol	antifungal agent; Penicillium metabolite	0	0		low	0	0	0	0	0	0
pf 1163b	0	aromatic ether; lactam; macrolide antibiotic	antifungal agent; Penicillium metabolite	0	0		low	0	0	0	0	0	0
licocoumarone	0	1-benzofurans; aromatic ether; resorcinols	antibacterial agent; apoptosis inducer; EC 1.4.3.4 (monoamine oxidase) inhibitor; plant metabolite	0	0		low	0	0	0	0	0	0
4-(4-chloro-2-methylphenoxy)-n-hydroxybutanamide	0	aromatic ether		0	0		low	0	0	0	0	0	0
LSM-22807	0	aromatic ether		0	0		low	0	0	0	0	0	0
N-[2-(3-methylphenoxy)ethyl]-1H-1,2,4-triazole-5-carboxamide	0	aromatic ether		0	0		low	0	0	0	0	0	0
piperlactam s	0	alkaloid; aromatic ether; gamma-lactam; organic heterotetracyclic compound; phenols	anti-inflammatory agent; antioxidant; plant metabolite	0	0		low	0	0	0	0	0	0
5,5-dioxo-1-(4-phenoxyphenyl)-3a,4,6,6a-tetrahydro-3H-thieno[3,4-b]pyrrol-2-one	0	aromatic ether		0	0		low	0	0	0	0	0	0
antofine	0	alkaloid antibiotic; alkaloid; aromatic ether; organic heteropentacyclic compound	angiogenesis inhibitor; anti-inflammatory agent; antimicrobial agent; antineoplastic agent; antiviral agent; phytotoxin; plant metabolite	0	0		low	0	0	0	0	0	0
xanthohumol	0	aromatic ether; chalcones; polyphenol	anti-HIV-1 agent; antineoplastic agent; antiviral agent; apoptosis inducer; EC 2.3.1.20 (diacylglycerol O-acyltransferase) inhibitor; metabolite	0	0		low	0	0	0	0	0	0
2-phenoxy-N-(2-pyridinyl)butanamide	0	aromatic ether		0	0		low	0	0	0	0	0	0
6-amino-4-(2-ethoxyphenyl)-3-propyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile	0	aromatic ether; pyranopyrazole		0	0		low	0	0	0	0	0	0
N-[4-[4-[[1-oxo-2-(1-pyrrolidinyl)ethyl]amino]phenoxy]phenyl]-2-(1-pyrrolidinyl)acetamide	0	aromatic ether		0	0		low	0	0	0	0	0	0
2-(3,4-diethoxyphenyl)-5-(2-furanyl)-1,3,4-oxadiazole	0	aromatic ether		0	0		low	0	0	0	0	0	0
2-[[5-(phenoxymethyl)-4-(2-phenylethyl)-1,2,4-triazol-3-yl]thio]acetamide	0	aromatic ether		0	0		low	0	0	0	0	0	0
1-(8-methyl-2,5,11,14-tetraoxa-8-azabicyclo[13.4.0]nonadeca-1(15),16,18-trien-17-yl)ethanol	0	aromatic ether		0	0		low	0	0	0	0	0	0
3-[2-(3-phenoxypropyl)-5-tetrazolyl]pyridine	0	aromatic ether		0	0		low	0	0	0	0	0	0
1-cyclohexyl-5-(2-phenoxyethylthio)tetrazole	0	aromatic ether		0	0		low	0	0	0	0	0	0
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[[5-[(3-methylphenoxy)methyl]-1,3,4-oxadiazol-2-yl]thio]acetamide	0	aromatic ether		0	0		low	0	0	0	0	0	0
6-amino-4-[3-ethoxy-4-[2-(4-morpholinyl)ethoxy]phenyl]-3-ethyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile	0	aromatic ether; pyranopyrazole		0	0		low	0	0	0	0	0	0
2-[[5-[(2,3-dimethylphenoxy)methyl]-4-methyl-1,2,4-triazol-3-yl]thio]-1-thiophen-2-ylethanone	0	aromatic ether		0	0		low	0	0	0	0	0	0
(1-methyl-2-imidazolyl)-(4-phenylmethoxyphenyl)methanol	0	aromatic ether		0	0		low	0	0	0	0	0	0
5-(3-butoxyphenyl)-1,3,4-thiadiazol-2-amine	0	aromatic ether		0	0		low	0	0	0	0	0	0
3-(2-ethoxy-6-methyl-3-pyridinyl)-5-(2-pyridinyl)-1,2,4-oxadiazole	0	aromatic ether		0	0		low	0	0	0	0	0	0
6-(3,4,5-triethoxyphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole	0	aromatic ether; triazolothiadiazole		0	0		low	0	0	0	0	0	0
4-(1-benzotriazolyl)-5-(2-methoxyphenoxy)benzene-1,2-dicarbonitrile	0	aromatic ether		0	0		low	0	0	0	0	0	0
4-cyclohexyl-3-[(3-methylphenoxy)methyl]-1H-1,2,4-triazole-5-thione	0	aromatic ether		0	0		low	0	0	0	0	0	0
7-ethoxy-9-nitro-5H-benzo[b][1,4]benzoxazepin-6-one	0	aromatic ether		0	0		low	0	0	0	0	0	0
4-[4-(2-quinoxalinyl)phenoxy]benzene-1,2-dicarbonitrile	0	aromatic ether		0	0		low	0	0	0	0	0	0
1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(phenoxymethyl)-4-triazolecarboxylic acid ethyl ester	0	aromatic ether		0	0		low	0	0	0	0	0	0
2-(4-ethylphenoxy)-N-(1H-1,2,4-triazol-5-yl)acetamide	0	aromatic ether		0	0		low	0	0	0	0	0	0
2-(4-chloro-3-methylphenoxy)-N-(1H-1,2,4-triazol-5-yl)acetamide	0	aromatic ether		0	0		low	0	0	0	0	0	0
5-[(4-ethylphenoxy)methyl]-N-(2-pyridinylmethyl)-2-furancarboxamide	0	aromatic ether		0	0		low	0	0	0	0	0	0
7-methoxy-3,5-dimethyl-2-thiazolo[4,5-d]pyrimidinethione	0	aromatic ether		0	0		low	0	0	0	0	0	0
N-[4-(4-ethylphenyl)-2-thiazolyl]carbamic acid phenyl ester	0	aromatic ether		0	0		low	0	0	0	0	0	0
2-(2-bromo-4-methylphenoxy)-N-(2-pyridinylmethyl)acetamide	0	aromatic ether		0	0		low	0	0	0	0	0	0
1-[[3-(4-chlorophenoxy)phenyl]methyl]-4-ethylpiperazine	0	aromatic ether		0	0		low	0	0	0	0	0	0
2-methoxy-4-[(4-methyl-1,4-diazepan-1-yl)methyl]-6-nitrophenol	0	aromatic ether; C-nitro compound		0	0		low	0	0	0	0	0	0
4-[[4-(ethylamino)-6-(methylthio)-1,3,5-triazin-2-yl]oxy]benzoic acid ethyl ester	0	aromatic ether		0	0		low	0	0	0	0	0	0
5-ethyl-3-[[4-(2-methylpropoxy)phenyl]methylthio]-1H-1,2,4-triazole	0	aromatic ether		0	0		low	0	0	0	0	0	0
[4-[(2-fluorophenyl)methoxy]phenyl]-(1-pyrrolidinyl)methanethione	0	aromatic ether		0	0		low	0	0	0	0	0	0
5-[(2-chlorophenoxy)methyl]-3-pyridin-4-yl-1,2,4-oxadiazole	0	aromatic ether		0	0		low	0	0	0	0	0	0
4-(4-phenylmethoxyphenyl)thiadiazole	0	aromatic ether		0	0		low	0	0	0	0	0	0
N-methyl-2-[[4-methyl-5-[(4-nitrophenoxy)methyl]-1,2,4-triazol-3-yl]thio]acetamide	0	aromatic ether; C-nitro compound		0	0		low	0	0	0	0	0	0
2-[[5-(4-ethoxyphenyl)-1,3,4-oxadiazol-2-yl]thio]-1-(4-morpholinyl)ethanone	0	aromatic ether		0	0		low	0	0	0	0	0	0
4-(3-pyridinyloxy)benzene-1,2-dicarbonitrile	0	aromatic ether		0	0		low	0	0	0	0	0	0
N-tert-butyl-2-(4-chloro-3-methylphenoxy)acetamide	0	aromatic ether		0	0		low	0	0	0	0	0	0
1-(2-furanylmethyl)-3-(4-phenoxyphenyl)thiourea	0	aromatic ether		0	0		low	0	0	0	0	0	0
1-(2-methylpropyl)-3-(4-phenoxyphenyl)thiourea	0	aromatic ether		0	0		low	0	0	0	0	0	0
1-cyclopentyl-3-(4-phenoxyphenyl)thiourea	0	aromatic ether		0	0		low	0	0	0	0	0	0
5-[(4-ethoxyphenoxy)methyl]-N-(3-pyridinyl)-2-furancarboxamide	0	aromatic ether		0	0		low	0	0	0	0	0	0
2-(2,3-dimethylphenoxy)-N-pyridin-4-ylacetamide	0	aromatic ether		0	0		low	0	0	0	0	0	0
5-[(2-chlorophenoxy)methyl]-N-(2-thiazolyl)-2-furancarboxamide	0	aromatic ether		0	0		low	0	0	0	0	0	0
N-[5-[(4-chlorophenoxy)methyl]-1,3,4-thiadiazol-2-yl]-2-furancarboxamide	0	aromatic ether		0	0		low	0	0	0	0	0	0
N-(4,5-dihydrothiazol-2-yl)-2-(2-methylphenoxy)acetamide	0	aromatic ether		0	0		low	0	0	0	0	0	0
5-(2-fluorophenoxy)-1-methyl-3-nitro-1,2,4-triazole	0	aromatic ether		0	0		low	0	0	0	0	0	0
1-methyl-5-(1-naphthalenyloxy)-4-nitroimidazole	0	aromatic ether		0	0		low	0	0	0	0	0	0
curcumin	4	aromatic ether; beta-diketone; diarylheptanoid; enone; polyphenol	anti-inflammatory agent; antifungal agent; antineoplastic agent; biological pigment; contraceptive drug; dye; EC 1.1.1.205 (IMP dehydrogenase) inhibitor; EC 1.1.1.21 (aldehyde reductase) inhibitor; EC 1.1.1.25 (shikimate dehydrogenase) inhibitor; EC 1.6.5.2 [NAD(P)H dehydrogenase (quinone)] inhibitor; EC 1.8.1.9 (thioredoxin reductase) inhibitor; EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor; EC 3.5.1.98 (histone deacetylase) inhibitor; flavouring agent; food colouring; geroprotector; hepatoprotective agent; immunomodulator; iron chelator; ligand; lipoxygenase inhibitor; metabolite; neuroprotective agent; nutraceutical; radical scavenger	2015	2022	6.2	low	0	0	0	0	3	1
1-(3,4-dimethoxyphenyl)-3-(2-methoxy-5-nitrophenyl)urea	0	aromatic ether; C-nitro compound		0	0		low	0	0	0	0	0	0
1-cyclopentyl-3-(2-phenoxyphenyl)thiourea	0	aromatic ether		0	0		low	0	0	0	0	0	0
N-(1-ethyl-2-benzimidazolyl)-5-[(4-methyl-2-nitrophenoxy)methyl]-2-furancarboxamide	0	aromatic ether; C-nitro compound		0	0		low	0	0	0	0	0	0
2-chloro-12-(4-methoxyphenyl)sulfonylquinoxalino[2,3-b][1,4]benzoxazine	0	aromatic ether		0	0		low	0	0	0	0	0	0
1-(3-methoxy-5-nitrophenyl)-3-(4-methylphenyl)urea	0	aromatic ether; C-nitro compound		0	0		low	0	0	0	0	0	0
2-(2-bromo-4-chlorophenoxy)-N-cyclohexyl-N-methylacetamide	0	aromatic ether		0	0		low	0	0	0	0	0	0
2-furanyl-[4-(4-phenoxyphenyl)sulfonyl-1-piperazinyl]methanone	0	aromatic ether		0	0		low	0	0	0	0	0	0
4-(2-methoxyphenoxy)-N-(3-pyridinyl)benzenesulfonamide	0	aromatic ether		0	0		low	0	0	0	0	0	0
1-(3-chlorophenyl)-3-(2-phenoxyphenyl)thiourea	0	aromatic ether		0	0		low	0	0	0	0	0	0
N-[3-[2-(1-azepanyl)-4,5-dicyanophenoxy]phenyl]acetamide	0	aromatic ether		0	0		low	0	0	0	0	0	0
2,5-dimethoxy-N-(4-phenoxyphenyl)benzenesulfonamide	0	aromatic ether		0	0		low	0	0	0	0	0	0
4-[[4-(dimethylamino)-6-(4-morpholinyl)-1,3,5-triazin-2-yl]oxy]benzoic acid methyl ester	0	aromatic ether		0	0		low	0	0	0	0	0	0
N-[5-[(4-chlorophenoxy)methyl]-1,3,4-thiadiazol-2-yl]-5-methyl-3-phenyl-4-isoxazolecarboxamide	0	aromatic ether		0	0		low	0	0	0	0	0	0
1-[4-[[4-(2-chloro-6-nitrophenoxy)phenyl]methoxy]phenyl]ethanone	0	aromatic ether		0	0		low	0	0	0	0	0	0
N-[4-[[2-(4-hydroxyphenyl)-1,3-dioxo-5-isoindolyl]oxy]phenyl]-2,2-dimethylpropanamide	0	aromatic ether		0	0		low	0	0	0	0	0	0
N-[[4-(4-chlorophenoxy)anilino]-sulfanylidenemethyl]benzamide	0	aromatic ether		0	0		low	0	0	0	0	0	0
2-(4-fluorophenoxy)-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)acetamide	0	aromatic ether		0	0		low	0	0	0	0	0	0
4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]-N-propan-2-ylbenzenesulfonamide	0	aromatic ether		0	0		low	0	0	0	0	0	0
4-(4-tert-butylphenoxy)-5-methoxy-2-phenylpyrimidine	0	aromatic ether		0	0		low	0	0	0	0	0	0
4-phenoxy-2-phenyl-5-pyrimidinecarboxylic acid ethyl ester	0	aromatic ether		0	0		low	0	0	0	0	0	0
Src Inhibitor-1	0	aromatic ether; polyether; quinazolines; secondary amino compound	EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor	0	0		low	0	0	0	0	0	0
N-[2,5-dioxo-6-(4-phenoxyphenyl)-3-pyrano[3,2-c]pyridinyl]benzamide	0	aromatic ether		0	0		low	0	0	0	0	0	0
2-(4-chlorophenoxy)-4-(dimethylamino)-3-pyridinecarbonitrile	0	aromatic ether		0	0		low	0	0	0	0	0	0
6-methyl-5-[2-(2-methylphenoxy)ethyl]-2-sulfanylidene-1H-pyrimidin-4-one	0	aromatic ether		0	0		low	0	0	0	0	0	0
4-(4-chlorophenoxy)-1-(4-morpholinyl)-1-butanone	0	aromatic ether		0	0		low	0	0	0	0	0	0
N4-ethyl-6-[2-(4-methylphenoxy)ethylthio]-N2-propan-2-yl-1,3,5-triazine-2,4-diamine	0	aromatic ether		0	0		low	0	0	0	0	0	0
4-(phenylmethyl)-3-[2-(4-propoxyphenyl)ethyl]-1H-1,2,4-triazole-5-thione	0	aromatic ether		0	0		low	0	0	0	0	0	0
1-[[1-oxo-3-(4-propan-2-yloxyphenyl)propyl]amino]-3-(phenylmethyl)thiourea	0	aromatic ether		0	0		low	0	0	0	0	0	0
N-[3-(3-methylphenoxy)-5-nitrophenyl]-2-(3-nitro-1,2,4-triazol-1-yl)acetamide	0	aromatic ether		0	0		low	0	0	0	0	0	0
N-bis(2-fluorophenoxy)phosphoryl-3,4-dimethylaniline	0	aromatic ether		0	0		low	0	0	0	0	0	0
2-[[4-(2-ethoxyanilino)-6-(4-ethoxyanilino)-2-pyrimidinyl]methylidene]propanedinitrile	0	aromatic ether		0	0		low	0	0	0	0	0	0
5-methyl-3-[(4-pentoxyphenyl)methylthio]-1H-1,2,4-triazole	0	aromatic ether		0	0		low	0	0	0	0	0	0
4,5-dichloro-1-[2-(4-chlorophenoxy)ethyl]imidazole	0	aromatic ether		0	0		low	0	0	0	0	0	0
1-butyl-3-(4-phenoxyphenyl)thiourea	0	aromatic ether		0	0		low	0	0	0	0	0	0
N-(3-cyano-2-thiophenyl)-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]acetamide	0	aromatic ether		0	0		low	0	0	0	0	0	0
2-(2-bromophenyl)-5-[(2-chlorophenoxy)methyl]-1,3,4-oxadiazole	0	aromatic ether		0	0		low	0	0	0	0	0	0
5-(4-ethoxyphenyl)-N-(3,4,5,6-tetrahydro-2H-azepin-7-yl)-1,3,4-oxadiazol-2-amine	0	aromatic ether		0	0		low	0	0	0	0	0	0
4-(4-chloro-2-methylphenoxy)-1-(4-morpholinyl)-1-butanone	0	aromatic ether		0	0		low	0	0	0	0	0	0
N9-(4-butoxyphenyl)-6,8,10-triazaspiro[4.5]deca-6,9-diene-7,9-diamine	0	aromatic ether		0	0		low	0	0	0	0	0	0
2-[2-(4-chlorophenoxy)ethylthio]pyrimidine	0	aromatic ether		0	0		low	0	0	0	0	0	0
5-(3-phenoxypropyl)-3-(3-pyridinyl)-1,2,4-oxadiazole	0	aromatic ether		0	0		low	0	0	0	0	0	0
N-[(3-ethoxy-2-prop-2-enoxyphenyl)methyl]-2-thiazolamine	0	aromatic ether		0	0		low	0	0	0	0	0	0
2-(2-bromophenoxy)-N-(2-pyridinylmethyl)acetamide	0	aromatic ether		0	0		low	0	0	0	0	0	0
4-[2-[(4-chlorophenyl)thio]ethoxy]-3-ethoxybenzaldehyde	0	aromatic ether		0	0		low	0	0	0	0	0	0
1-(3-fluorophenyl)-4-(4-hydroxy-3-methoxy-5-nitrophenyl)-4H-pyridine-3,5-dicarboxylic acid diethyl ester	0	aromatic ether; C-nitro compound		0	0		low	0	0	0	0	0	0
5-(2-ethoxyphenyl)-3H-1,3,4-oxadiazole-2-thione	0	aromatic ether		0	0		low	0	0	0	0	0	0
N-tert-butyl-4-(2-fluorophenoxy)-1-butanamine	0	aromatic ether		0	0		low	0	0	0	0	0	0
N-butyl-4-phenoxy-1-butanamine	0	aromatic ether		0	0		low	0	0	0	0	0	0
N-[3-[[diethylamino(sulfanylidene)methyl]thio]-1-oxopropyl]carbamic acid (4-methylphenyl) ester	0	aromatic ether		0	0		low	0	0	0	0	0	0
1,3-dimethyl-5-[[2-[2-(4-nitrophenoxy)ethoxy]phenyl]methylidene]-1,3-diazinane-2,4,6-trione	0	aromatic ether; C-nitro compound		0	0		low	0	0	0	0	0	0
4-[2-[2-(4-bromo-2-chlorophenoxy)ethoxy]ethyl]morpholine	0	aromatic ether		0	0		low	0	0	0	0	0	0
2-[2-(3-ethylphenoxy)ethyl]propanedioic acid diethyl ester	0	aromatic ether		0	0		low	0	0	0	0	0	0
2,3-dihydro-1,4-dioxin-5-carboxylic acid [2-[4-[4-(2-methylbutan-2-yl)phenoxy]anilino]-2-oxoethyl] ester	0	aromatic ether		0	0		low	0	0	0	0	0	0
1-[3-(2-bromo-4-chlorophenoxy)propyl]-4-methylpiperidine	0	aromatic ether		0	0		low	0	0	0	0	0	0
N4-(2-methoxyphenyl)benzene-1,4-diamine	0	aromatic ether; substituted aniline		0	0		low	0	0	0	0	0	0
4-(1H-benzimidazol-2-ylthio)butanoic acid [2-oxo-2-(4-phenoxyanilino)ethyl] ester	0	aromatic ether		0	0		low	0	0	0	0	0	0
2-phenoxybenzoic acid [2-(2-furanylmethylamino)-2-oxoethyl] ester	0	aromatic ether		0	0		low	0	0	0	0	0	0
1-[2,5-dimethyl-1-(phenylmethyl)-3-pyrrolyl]-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]ethanone	0	aromatic ether		0	0		low	0	0	0	0	0	0
N-[6-amino-1-(2-methylpropyl)-2,4-dioxo-5-pyrimidinyl]-2-(2-methylphenoxy)-N-(2-methylpropyl)acetamide	0	aromatic ether		0	0		low	0	0	0	0	0	0
4-[[6-[(2-methyl-5-thieno[2,3-e][1,3]benzothiazolyl)oxy]-3-pyridinyl]sulfonyl]morpholine	0	aromatic ether		0	0		low	0	0	0	0	0	0
5-(3-fluorophenoxy)-8-nitroisoquinoline	0	aromatic ether		0	0		low	0	0	0	0	0	0
1-[4-(2-prop-2-enylphenoxy)butyl]pyrrolidine	0	aromatic ether		0	0		low	0	0	0	0	0	0
2-(2,4-dibromophenoxy)-N-[oxo-(propan-2-ylamino)methyl]acetamide	0	aromatic ether		0	0		low	0	0	0	0	0	0
4-phenoxyphenyl 4-hydroxypiperidine-1-carboxylate	0	aromatic ether		0	0		low	0	0	0	0	0	0
N'-benzoyl-5-(3,5-dichlorophenoxy)-2-furancarbohydrazide	0	aromatic ether		0	0		low	0	0	0	0	0	0
1-[2-[(4-chlorophenoxy)methyl]-4-thiazolyl]ethanone	0	aromatic ether		0	0		low	0	0	0	0	0	0
5-(benzyloxy)-2-(hydroxymethyl)-1,4-dihydropyridin-4-one	0	aromatic ether		0	0		low	0	0	0	0	0	0
2-(4-aminophenoxy)isophthalonitrile	0	aromatic ether		0	0		low	0	0	0	0	0	0
N5-(2-chloro-6-phenoxybenzyl)-1H-1,2,4-triazole-3,5-diamine	0	aromatic ether		0	0		low	0	0	0	0	0	0
N-[(2-chloro-6-phenoxyphenyl)methyl]benzenesulfonamide	0	aromatic ether		0	0		low	0	0	0	0	0	0
N-[5-(tert-butyl)-3-isoxazolyl]-N'-[2-(trifluoromethoxy)phenyl]urea	0	aromatic ether		0	0		low	0	0	0	0	0	0
6-(4-methoxyphenoxy)-2-imidazo[1,2-b]pyridazinecarboxylic acid ethyl ester	0	aromatic ether		0	0		low	0	0	0	0	0	0
2-fluoro-N-[2,2,2-trichloro-1-[[(4-methoxy-2-nitroanilino)-sulfanylidenemethyl]amino]ethyl]acetamide	0	aromatic ether; C-nitro compound		0	0		low	0	0	0	0	0	0
2-amino-4-(4,5-dimethoxy-2-nitrophenyl)-7,7-dimethyl-5-oxo-6,8-dihydro-4H-1-benzopyran-3-carbonitrile	0	aromatic ether; C-nitro compound		0	0		low	0	0	0	0	0	0
2,4-dichloro-N-[2,2,2-trichloro-1-[[(4-methoxy-2-nitroanilino)-sulfanylidenemethyl]amino]ethyl]benzamide	0	aromatic ether; C-nitro compound		0	0		low	0	0	0	0	0	0
1-anilino-3-[4-(3-anilino-2-hydroxypropoxy)phenoxy]-2-propanol	0	aromatic ether		0	0		low	0	0	0	0	0	0
1-[4-(3-ethoxyphenoxy)butyl]imidazole	0	aromatic ether		0	0		low	0	0	0	0	0	0
N-[5-[(4-chlorophenoxy)methyl]-1,3,4-thiadiazol-2-yl]-2-oxolanecarboxamide	0	aromatic ether		0	0		low	0	0	0	0	0	0
1-[[2-(2,4-difluorophenoxy)-1-oxopropyl]amino]-3-(2-oxolanylmethyl)thiourea	0	aromatic ether		0	0		low	0	0	0	0	0	0
N-[[(5-bromo-6-methyl-2-pyridinyl)amino]-sulfanylidenemethyl]-2-(2-chlorophenoxy)acetamide	0	aromatic ether		0	0		low	0	0	0	0	0	0
2-[(4-chlorophenyl)sulfonyl-methylamino]-N-(4-methoxy-2-nitrophenyl)acetamide	0	aromatic ether; C-nitro compound		0	0		low	0	0	0	0	0	0
4-oxido-3-(4-phenoxyphenyl)-4a,5,6,7,8,8a-hexahydroquinoxalin-1-ium 1-oxide	0	aromatic ether		0	0		low	0	0	0	0	0	0
1-(2-fluorophenyl)-3-(4-methoxy-2-nitrophenyl)urea	0	aromatic ether; C-nitro compound		0	0		low	0	0	0	0	0	0
2-[[5-[(2-fluorophenoxy)methyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]thio]-N-[(2-furanylmethylamino)-oxomethyl]acetamide	0	aromatic ether		0	0		low	0	0	0	0	0	0
cyclopropanecarboxylic acid [2-oxo-2-(4-phenoxyanilino)ethyl] ester	0	aromatic ether		0	0		low	0	0	0	0	0	0
toremifene	0	aromatic ether; organochlorine compound; tertiary amine	antineoplastic agent; bone density conservation agent; estrogen antagonist; estrogen receptor modulator	0	0		low	0	0	0	0	0	0
dieckol	0	aromatic ether; oxacycle; phlorotannin	anticoagulant; EC 3.2.1.20 (alpha-glucosidase) inhibitor; hepatoprotective agent; metabolite; radical scavenger	0	0		low	0	0	0	0	0	0
2-[(2-ethoxyphenoxy)-phenylmethyl]morpholine	0	aromatic ether		0	0		low	0	0	0	0	0	0
naproxol	0	aromatic ether	antipyretic; non-narcotic analgesic; non-steroidal anti-inflammatory drug	0	0		low	0	0	0	0	0	0
tamoxifen n-oxide	0	aromatic ether; tertiary amine oxide	anti-estrogen; metabolite	0	0		low	0	0	0	0	0	0
diafenthiuron	0	aromatic ether; thiourea acaricide; thiourea insecticide	oxidative phosphorylation inhibitor; proinsecticide	0	0		low	0	0	0	0	0	0
ospemifene	0	aromatic ether; organochlorine compound; primary alcohol	anti-inflammatory agent; antineoplastic agent; estrogen receptor modulator	0	0		low	0	0	0	0	0	0
tandutinib	0	aromatic ether; N-arylpiperazine; N-carbamoylpiperazine; phenylureas; piperidines; quinazolines; tertiary amino compound	antineoplastic agent; EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor	0	0		low	0	0	0	0	0	0
zd 6474	0	aromatic ether; organobromine compound; organofluorine compound; piperidines; quinazolines; secondary amine	antineoplastic agent; tyrosine kinase inhibitor	0	0		low	0	0	0	0	0	0
adefovir	0	aromatic ether; aromatic ketone; biaryl; cyclic ketone; naphtho-gamma-pyrone; organooxygen heterocyclic antibiotic; polyphenol	antimalarial; Aspergillus metabolite; marine metabolite	0	0		low	0	0	0	0	0	0
3-chloro-N-[2,2,2-trichloro-1-[[(4-methoxy-2-nitroanilino)-sulfanylidenemethyl]amino]ethyl]benzamide	0	aromatic ether; C-nitro compound		0	0		low	0	0	0	0	0	0
N-(2-hydroxyethyl)-4-[2-nitro-4-(trifluoromethyl)phenoxy]benzamide	0	aromatic ether		0	0		low	0	0	0	0	0	0
N'-[2-[(4-amino-5-cyano-2-pyrimidinyl)thio]-1-oxoethyl]-2-(4-methylphenoxy)acetohydrazide	0	aromatic ether		0	0		low	0	0	0	0	0	0
N-[(2-methyl-4-thiazolyl)methyl]-4-phenoxybenzenesulfonamide	0	aromatic ether		0	0		low	0	0	0	0	0	0
6-amino-4-(2-ethoxy-4-hydroxyphenyl)-3-propyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile	0	aromatic ether; pyranopyrazole		0	0		low	0	0	0	0	0	0
1-[(2-ethoxyphenyl)methyl]-3-thiophen-2-ylurea	0	aromatic ether		0	0		low	0	0	0	0	0	0
quinoxyfen	0	aromatic ether; monofluorobenzenes; organochlorine compound; quinolines	antifungal agrochemical	0	0		low	0	0	0	0	0	0
nafadotride	0	aromatic ether; naphthalenecarboxamide; nitrile; pyrrolidines; tertiary amino compound	dopaminergic antagonist	0	0		low	0	0	0	0	0	0
1-(1-naphthalenyl)-3-[[2-(2-nitrophenoxy)-1-oxoethyl]amino]urea	0	aromatic ether; C-nitro compound		0	0		low	0	0	0	0	0	0
2-methyl-1,3-bis(phenylmethoxy)benzene	0	aromatic ether		0	0		low	0	0	0	0	0	0
1-(4,6-dimethoxypyrimidin-2-yl)-3-(2-ethoxyphenoxysulfonyl)urea	0	aromatic ether		0	0		low	0	0	0	0	0	0
3-[(4-ethylphenoxy)methyl]-4-(6-methylheptan-2-yl)-1H-1,2,4-triazole-5-thione	0	aromatic ether		0	0		low	0	0	0	0	0	0
2-chloro-N-(2-methyl-6-oxo-5H-benzo[b][1,4]benzoxazepin-8-yl)acetamide	0	aromatic ether		0	0		low	0	0	0	0	0	0
5-(benzenesulfonyl)-4-(2,6-dimethylphenoxy)-2-phenylpyrimidine	0	aromatic ether		0	0		low	0	0	0	0	0	0
4-(2-methylphenoxy)-6-phenylfuro[2,3-d]pyrimidine	0	aromatic ether		0	0		low	0	0	0	0	0	0
1-[4-(2-chlorophenoxy)butyl]imidazole	0	aromatic ether; imidazoles; monochlorobenzenes		0	0		low	0	0	0	0	0	0
N-(2-chlorophenyl)-4-[[(2-methoxy-4-nitroanilino)-sulfanylidenemethyl]hydrazo]-4-oxobutanamide	0	aromatic ether; C-nitro compound		0	0		low	0	0	0	0	0	0
N-(2-methoxy-4-nitrophenyl)-2-[(1-methyl-2-imidazolyl)thio]acetamide	0	aromatic ether; C-nitro compound		0	0		low	0	0	0	0	0	0
N-[4-(phenoxymethyl)-2-thiazolyl]-1-adamantanecarboxamide	0	aromatic ether		0	0		low	0	0	0	0	0	0
hydroxypioglitazone	0	aromatic ether; pyridines; thiazolidinediones	human xenobiotic metabolite	0	0		low	0	0	0	0	0	0
sc 560	0	aromatic ether; monochlorobenzenes; organofluorine compound; pyrazoles	angiogenesis modulating agent; antineoplastic agent; apoptosis inducer; cyclooxygenase 1 inhibitor; non-steroidal anti-inflammatory drug	0	0		low	0	0	0	0	0	0
sc-19220	0	aromatic ether		0	0		low	0	0	0	0	0	0
5-methyl-4-(3-phenoxyphenyl)-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-6-carboxylic acid ethyl ester	0	aromatic ether		0	0		low	0	0	0	0	0	0
8-[4-(4-fluorophenoxy)-3-nitrophenyl]-7-(2-hydroxyethyl)-3-(phenylmethyl)purine-2,6-dione	0	aromatic ether		0	0		low	0	0	0	0	0	0
2-phenoxybenzoic acid [2-oxo-2-(propan-2-ylamino)ethyl] ester	0	aromatic ether		0	0		low	0	0	0	0	0	0
2-(4-bromophenoxy)-N'-[2-[(4-methyl-1,2,4-triazol-3-yl)thio]-1-oxoethyl]acetohydrazide	0	aromatic ether		0	0		low	0	0	0	0	0	0
2-(2-methoxyanilino)-2-(2-phenylmethoxyphenyl)acetonitrile	0	aromatic ether; substituted aniline		0	0		low	0	0	0	0	0	0
N-(4-phenoxyphenyl)-2-(1,2,3,4-tetrahydroisoquinolin-1-yl)acetamide	0	aromatic ether		0	0		low	0	0	0	0	0	0
5-(3,4-dimethoxyphenyl)-3-(2-furanylmethyl)-4-imino-5H-[1]benzopyrano[2,3-d]pyrimidin-8-ol	0	aromatic ether		0	0		low	0	0	0	0	0	0
3,3-dimethyl-1,5-dinitro-6-phenoxy-3-azoniabicyclo[3.3.1]non-6-ene	0	aromatic ether		0	0		low	0	0	0	0	0	0
fraxin	0	aromatic ether; beta-D-glucoside; hydroxycoumarin	anti-inflammatory agent; hepatoprotective agent; plant metabolite	0	0		low	0	0	0	0	0	0
fraxetin	0	aromatic ether; hydroxycoumarin	anti-inflammatory agent; antibacterial agent; antimicrobial agent; antioxidant; apoptosis inducer; apoptosis inhibitor; Arabidopsis thaliana metabolite; hepatoprotective agent; hypoglycemic agent	0	0		low	0	0	0	0	0	0
5,6-dehydrokawain	0	2-pyranones; aromatic ether		0	0		low	0	0	0	0	0	0
jtk-303	0	aromatic ether; monochlorobenzenes; organofluorine compound; quinolinemonocarboxylic acid; quinolone	HIV-1 integrase inhibitor	0	0		low	0	0	0	0	0	0
coniferin	0	aromatic ether; cinnamyl alcohol beta-D-glucoside; monosaccharide derivative	plant metabolite	0	0		low	0	0	0	0	0	0
daphnoretin	0	aromatic ether; hydroxycoumarin	antineoplastic agent; antiviral agent; metabolite	0	0		low	0	0	0	0	0	0
kavain	0	2-pyranones; aromatic ether		0	0		low	0	0	0	0	0	0
methysticin	0	2-pyranones; aromatic ether		0	0		low	0	0	0	0	0	0
yangonin	0	2-pyranones; aromatic ether		0	0		low	0	0	0	0	0	0
hinokiflavone	0	aromatic ether; biflavonoid; hydroxyflavone	antineoplastic agent; metabolite; neuroprotective agent	0	0		low	0	0	0	0	0	0
gentiacaulein	0	aromatic ether; polyphenol; xanthones	plant metabolite	0	0		low	0	0	0	0	0	0
gentisin	0	aromatic ether; polyphenol; xanthones	plant metabolite	0	0		low	0	0	0	0	0	0
isogentisin	0	aromatic ether; polyphenol; xanthones	EC 1.4.3.4 (monoamine oxidase) inhibitor; plant metabolite	0	0		low	0	0	0	0	0	0
mangostin	0	aromatic ether; phenols; xanthones	antimicrobial agent; antineoplastic agent; antioxidant; plant metabolite	0	0		low	0	0	0	0	0	0
1,8-dihydroxy-3,7-dimethoxyxanthone	0	aromatic ether; polyphenol; xanthones	plant metabolite	0	0		low	0	0	0	0	0	0
swerchirin	0	aromatic ether; phenols; xanthones	hypoglycemic agent; metabolite	0	0		low	0	0	0	0	0	0
1,2,8-trihydroxy-6-methoxyxanthone	0	aromatic ether; polyphenol; xanthones	antioxidant; plant metabolite	0	0		low	0	0	0	0	0	0
wedelolactone	0	aromatic ether; coumestans; delta-lactone; polyphenol	antineoplastic agent; apoptosis inducer; EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor; hepatoprotective agent; metabolite	0	0		low	0	0	0	0	0	0
cyhalothrin	0	aromatic ether; cyclopropanecarboxylate ester; nitrile; organochlorine compound; organofluorine compound	agrochemical; pyrethroid ester acaricide; pyrethroid ester insecticide	0	0		low	0	0	0	0	0	0
sofalcone	0	aromatic ether; chalcones; monocarboxylic acid	anti-ulcer drug; antibacterial agent; gastrointestinal drug; plant metabolite	0	0		low	0	0	0	0	0	0
neticonazole	0	aromatic ether; benzenes; conazole antifungal drug; enamine; imidazole antifungal drug; imidazoles; methyl sulfide	antifungal drug; EC 1.14.13.70 (sterol 14alpha-demethylase) inhibitor	0	0		low	0	0	0	0	0	0
pibutidine	0	aromatic ether; cyclobutenones; olefinic compound; piperidines; primary amino compound; pyridines; secondary amino compound	anti-ulcer drug; H2-receptor antagonist	0	0		low	0	0	0	0	0	0
purmorphamine	0	aromatic ether; morpholines; purines; secondary amino compound	osteogenesis regulator; SMO receptor agonist	0	0		low	0	0	0	0	0	0
8-(2-chlorophenyl)-3-(4-ethoxyphenyl)-6-oxo-2,4,7,8-tetrahydropyrido[2,1-b][1,3,5]thiadiazine-9-carbonitrile	0	aromatic ether		0	0		low	0	0	0	0	0	0
ro 41-5253	0	aromatic ether; benzoic acids; sulfone; thiochromane	apoptosis inducer; retinoic acid receptor alpha antagonist	0	0		low	0	0	0	0	0	0
glycycoumarin	0	aromatic ether; coumarins; resorcinols	antispasmodic drug; plant metabolite	0	0		low	0	0	0	0	0	0
isoginkgetin	0	aromatic ether; biflavonoid	antineoplastic agent; EC 3.4.24.35 (gelatinase B) inhibitor; plant metabolite	0	0		low	0	0	0	0	0	0
neoglycyrol	0	aromatic ether; coumestans; delta-lactone; polyphenol	antineoplastic agent; plant metabolite	0	0		low	0	0	0	0	0	0
rhamnazin	0	aromatic ether; dimethoxyflavone; phenols; trihydroxyflavone	antineoplastic agent; plant metabolite	0	0		low	0	0	0	0	0	0
bosutinib	0	aminoquinoline; aromatic ether; dichlorobenzene; N-methylpiperazine; nitrile; tertiary amino compound	antineoplastic agent; tyrosine kinase inhibitor	0	0		low	0	0	0	0	0	0
bw b70c	0	aromatic ether; hydroxamic acid; organofluorine compound; ureas	EC 1.13.11.34 (arachidonate 5-lipoxygenase) inhibitor	0	0		low	0	0	0	0	0	0
lichexanthone	0	aromatic ether; phenols; xanthones	plant metabolite	0	0		low	0	0	0	0	0	0
alternariol monomethyl ether	0	aromatic ether; benzochromenone	antifungal agent; fungal metabolite; mycotoxin	0	0		low	0	0	0	0	0	0
decussatin	0	aromatic ether; phenols; xanthones	plant metabolite	0	0		low	0	0	0	0	0	0
bedaquiline	0	aromatic ether; naphthalenes; organobromine compound; quinolines; tertiary alcohol; tertiary amino compound	antitubercular agent; ATP synthase inhibitor	0	0		low	0	0	0	0	0	0
dimethomorph	0	aromatic ether; enamide; monochlorobenzenes; morpholine fungicide; tertiary carboxamide		0	0		low	0	0	0	0	0	0
benanomicin b	0	aromatic ether; disaccharide derivative; L-alanine derivative; polyketide; polyphenol; pradimicin; secondary alcohol		0	0		low	0	0	0	0	0	0
pradimicin b	0	aromatic ether; L-alanine derivative; monosaccharide derivative; polyketide; polyphenol; pradimicin; secondary alcohol		0	0		low	0	0	0	0	0	0
1,7-dihydroxy-4-methoxyxanthone	0	aromatic ether; phenols; xanthones	metabolite; plant metabolite	0	0		low	0	0	0	0	0	0
pradimicin a	0	aromatic ether; carboxylic acid; disaccharide derivative; L-alanine derivative; p-quinones; polyphenol; pradimicin; secondary alcohol		0	0		low	0	0	0	0	0	0
clodinafop	0	aromatic ether; monocarboxylic acid; organochlorine compound; organofluorine compound; pyridines	EC 6.4.1.2 (acetyl-CoA carboxylase) inhibitor; phenoxy herbicide	0	0		low	0	0	0	0	0	0
ici 118551	0	aromatic ether; indanes; secondary alcohol; secondary amino compound	beta-adrenergic antagonist	0	0		low	0	0	0	0	0	0
ochnaflavone	0	aromatic ether; biflavonoid; hydroxyflavone	anti-inflammatory agent; antiatherogenic agent; antibacterial agent; EC 3.1.1.4 (phospholipase A2) inhibitor; leukotriene antagonist; plant metabolite	0	0		low	0	0	0	0	0	0
3-(4-fluorophenoxy)-6-methoxy-2-(4-methoxyphenyl)-1-benzothiophene 1-oxide	0	aromatic ether		0	0		low	0	0	0	0	0	0
flavasperone	0	aromatic ether; naphtho-gamma-pyrone; phenols	acyl-CoA:cholesterol acyltransferase 2 inhibitor; antiviral agent; Aspergillus metabolite; marine metabolite	0	0		low	0	0	0	0	0	0
4-hydroxycordoin	0	aromatic ether; chalcones; polyphenol	anti-inflammatory agent; antibacterial agent; plant metabolite	0	0		low	0	0	0	0	0	0
n-feruloylserotonin	0	aromatic ether; cinnamamides; hydroxyindoles; phenols; secondary carboxamide	plant metabolite	0	0		low	0	0	0	0	0	0
tyrphostin ag825	0	aromatic ether; benzothiazoles; enamide; nitrile; organic sulfide; phenols; primary carboxamide	epidermal growth factor receptor antagonist	0	0		low	0	0	0	0	0	0
kresoxim-methyl	0	aromatic ether; methoxyiminoacetate strobilurin antifungal agent; methyl ester; oxime O-ether	antifungal agrochemical; environmental contaminant; mitochondrial cytochrome-bc1 complex inhibitor; xenobiotic	0	0		low	0	0	0	0	0	0
5-methoxy-3,6-diphenyl-1,2,4-triazine	0	aromatic ether		0	0		low	0	0	0	0	0	0
pyrachlostrobin	0	aromatic ether; carbamate ester; carbanilate fungicide; methoxycarbanilate strobilurin antifungal agent; monochlorobenzenes; pyrazoles	antifungal agrochemical; environmental contaminant; mitochondrial cytochrome-bc1 complex inhibitor; xenobiotic	0	0		low	0	0	0	0	0	0
piericidin a	0	aromatic ether; methylpyridines; monohydroxypyridine; secondary allylic alcohol	antimicrobial agent; bacterial metabolite; EC 1.6.5.3 [NADH:ubiquinone reductase (H(+)-translocating)] inhibitor; mitochondrial respiratory-chain inhibitor	0	0		low	0	0	0	0	0	0
metrafenone	0	aromatic ether; aryl phenyl ketone fungicide; benzophenones; organobromine compound	antifungal agrochemical	0	0		low	0	0	0	0	0	0
2-(4-fluoro-3-(trifluoromethyl)phenoxy)-n-(phenylmethyl)butanamide	0	(trifluoromethyl)benzenes; aromatic ether; monocarboxylic acid amide; monofluorobenzenes		0	0		low	0	0	0	0	0	0
b 43	0	aromatic amine; aromatic ether; cyclopentanes; primary amino compound; pyrrolopyrimidine	EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor; geroprotector	0	0		low	0	0	0	0	0	0
5-(4-phenylbutoxy)psoralen	0	aromatic ether; benzenes; psoralens	geroprotector; immunosuppressive agent; potassium channel blocker	0	0		low	0	0	0	0	0	0
5-ia-85380	0	aromatic ether		0	0		low	0	0	0	0	0	0
yunaconitine	0	acetate ester; aromatic ether; benzoate ester; bridged compound; diterpene alkaloid; organic heteropolycyclic compound; polyether; secondary alcohol; tertiary alcohol; tertiary amino compound	antifeedant; human urinary metabolite; phytotoxin; plant metabolite; xenobiotic	0	0		low	0	0	0	0	0	0
ru 58668	0	17beta-hydroxy steroid; 3-hydroxy steroid; aromatic ether; organofluorine compound; sulfone	anti-estrogen; antineoplastic agent; estrogen receptor antagonist	0	0		low	0	0	0	0	0	0
altenusin	0	aromatic ether; carboxybiphenyl; catechols; hydroxybiphenyls; polyphenol	antifungal agent; fungal metabolite	0	0		low	0	0	0	0	0	0
gw 501516	0	1,3-thiazoles; aromatic ether; aryl sulfide; monocarboxylic acid; organofluorine compound	carcinogenic agent; PPARbeta/delta agonist	0	0		low	0	0	0	0	0	0
bay 58-2667	0	aromatic ether; benzoic acids; dicarboxylic acid; tertiary amino compound	antihypertensive agent; soluble guanylate cyclase activator; vasodilator agent	0	0		low	0	0	0	0	0	0
camostat	0	aromatic ether; phenols		0	0		low	0	0	0	0	0	0
lenvatinib	0	aromatic amide; aromatic ether; cyclopropanes; monocarboxylic acid amide; monochlorobenzenes; phenylureas; quinolines	antineoplastic agent; EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor; fibroblast growth factor receptor antagonist; orphan drug; vascular endothelial growth factor receptor antagonist	0	0		low	0	0	0	0	0	0
nsc 716970	0	aromatic amine; aromatic ether; indolecarboxamide; organochlorine compound	antineoplastic agent	0	0		low	0	0	0	0	0	0
lobeglitazone	0	aromatic ether		0	0		low	0	0	0	0	0	0
noviflumuron	0	aromatic ether; benzoylurea insecticide; dichlorobenzene; organofluorine compound		0	0		low	0	0	0	0	0	0
etomoxir	0	aromatic ether		0	0		low	0	0	0	0	0	0
fr 148083	0	aromatic ether; macrolide; phenols; secondary alcohol; secondary alpha-hydroxy ketone	antibacterial agent; antineoplastic agent; metabolite; NF-kappaB inhibitor	0	0		low	0	0	0	0	0	0
9-methoxycanthin-6-one	0	aromatic ether; indole alkaloid; organic heterotetracyclic compound	antineoplastic agent; antiplasmodial drug; metabolite	0	0		low	0	0	0	0	0	0
sb 3ct compound	0	aromatic ether		0	0		low	0	0	0	0	0	0
varespladib methyl	0	aromatic ether; benzenes; indoles; methyl ester; primary carboxamide	anti-inflammatory drug; antidote; EC 3.1.1.4 (phospholipase A2) inhibitor; prodrug	0	0		low	0	0	0	0	0	0
dapagliflozin	0	aromatic ether; C-glycosyl compound; monochlorobenzenes	hypoglycemic agent; sodium-glucose transport protein subtype 2 inhibitor	0	0		low	0	0	0	0	0	0
naveglitazar	0	aromatic ether		0	0		low	0	0	0	0	0	0
tivozanib	0	aromatic ether		0	0		low	0	0	0	0	0	0
zm 447439	0	aromatic ether; benzamides; morpholines; polyether; quinazolines; secondary amino compound; tertiary amino compound	antineoplastic agent; apoptosis inducer; Aurora kinase inhibitor	0	0		low	0	0	0	0	0	0
ustiloxin b	0	aromatic ether; heterodetic cyclic peptide; macrocycle; phenols; secondary alcohol; secondary carboxamide; sulfoxide	Aspergillus metabolite; microtubule-destabilising agent; mycotoxin	0	0		low	0	0	0	0	0	0
hypothemycin	0	aromatic ether; diol; enone; epoxide; macrolide; phenols; polyketide; secondary alpha-hydroxy ketone	antifungal agent; antineoplastic agent; EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor; fungal metabolite	0	0		low	0	0	0	0	0	0
tryprostatin a	0	aromatic ether; dipeptide; indole alkaloid; indoles; pyrrolopyrazine	breast cancer resistance protein inhibitor	0	0		low	0	0	0	0	0	0
cediranib	0	aromatic ether		0	0		low	0	0	0	0	0	0
3-iodothyronamine	0	aromatic ether		0	0		low	0	0	0	0	0	0
n,n-dipropyl-2-(4-methoxy-3-(2-phenylethoxy)phenyl)ethylamine monohydrochloride	0	aromatic ether; hydrochloride; methoxybenzenes; tertiary amino compound	antipsychotic agent; receptor modulator	0	0		low	0	0	0	0	0	0
rubraxanthone	0	aromatic ether; polyphenol; xanthones	antibacterial agent; antineoplastic agent; metabolite	0	0		low	0	0	0	0	0	0
7,8-Dihydroyangonin	0	2-pyranones; aromatic ether		0	0		low	0	0	0	0	0	0
sch 51344	0	aromatic amine; aromatic ether; primary alcohol; pyrazoloquinoline; secondary amino compound	antineoplastic agent	0	0		low	0	0	0	0	0	0
ancistroealaine a	0	aromatic ether; biaryl; isoquinoline alkaloid; isoquinolines; methoxynaphthalene; methylnaphthalenes	antileishmanial agent; antiplasmodial drug; metabolite; trypanocidal drug	0	0		low	0	0	0	0	0	0
pimavanserin	0	aromatic ether; monofluorobenzenes; piperidines; tertiary amino compound; ureas	5-hydroxytryptamine 2A receptor inverse agonist; antipsychotic agent; serotonergic antagonist	0	0		low	0	0	0	0	0	0
tolfenpyrad	0	aromatic amide; aromatic ether; organochlorine compound; pyrazole insecticide	agrochemical; antifungal agent; EC 1.3.5.1 [succinate dehydrogenase (quinone)] inhibitor; mitochondrial NADH:ubiquinone reductase inhibitor	0	0		low	0	0	0	0	0	0
SIS3 free base	0	aromatic ether; enamide; isoquinolines; monocarboxylic acid amide; pyrrolopyridine; tertiary carboxamide	Smad3 inhibitor	0	0		low	0	0	0	0	0	0
apixaban	0	aromatic ether; lactam; piperidones; pyrazolopyridine	anticoagulant; EC 3.4.21.6 (coagulation factor Xa) inhibitor	0	0		low	0	0	0	0	0	0
bibw 2992	0	aromatic ether; enamide; furans; monochlorobenzenes; organofluorine compound; quinazolines; secondary carboxamide; tertiary amino compound	antineoplastic agent; tyrosine kinase inhibitor	0	0		low	0	0	0	0	0	0
dihydrokavain	0	2-pyranones; aromatic ether		0	0		low	0	0	0	0	0	0
troglitazone sulfate	0	aromatic ether; thiazolidinone		0	0		low	0	0	0	0	0	0
arisugacin	0	aromatic ether; delta-lactone; enone; organic heterotetracyclic compound; tertiary alcohol	antimicrobial agent; EC 3.1.1.7 (acetylcholinesterase) inhibitor; metabolite; Penicillium metabolite	0	0		low	0	0	0	0	0	0
saracatinib	0	aromatic ether; benzodioxoles; diether; N-methylpiperazine; organochlorine compound; oxanes; quinazolines; secondary amino compound	anticoronaviral agent; antineoplastic agent; apoptosis inducer; autophagy inducer; EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor; radiosensitizing agent	0	0		low	0	0	0	0	0	0
fonsecinone a	0	aromatic ether; aromatic ketone; biaryl; cyclic ketone; naphtho-gamma-pyrone; polyphenol	antibacterial agent; Aspergillus metabolite	0	0		low	0	0	0	0	0	0
crenolanib	0	aminopiperidine; aromatic ether; benzimidazoles; oxetanes; quinolines; tertiary amino compound	angiogenesis inhibitor; antineoplastic agent; apoptosis inducer; EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor	0	0		low	0	0	0	0	0	0
aiphanol	0	aromatic ether; benzodioxine; lignan; stilbenoid	EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor	0	0		low	0	0	0	0	0	0
nigerloxin	0	aromatic ether; benzamides; benzoic acids; phenols; styrenes	antioxidant; Aspergillus metabolite; EC 1.1.1.21 (aldehyde reductase) inhibitor; lipoxygenase inhibitor; radical scavenger	0	0		low	0	0	0	0	0	0
msdc-0160	0	aromatic ether		0	0		low	0	0	0	0	0	0
dihydroxanthohumol	0	aromatic ether; dihydrochalcones; polyphenol	EC 1.14.13.39 (nitric oxide synthase) inhibitor; metabolite	0	0		low	0	0	0	0	0	0
PB28	0	aromatic ether; piperazines; tetralins	anticoronaviral agent; antineoplastic agent; apoptosis inducer; sigma-2 receptor agonist	0	0		low	0	0	0	0	0	0
7-phloroeckol	0	aromatic ether; phlorotannin	antioxidant; EC 3.1.1.3 (triacylglycerol lipase) inhibitor; metabolite	0	0		low	0	0	0	0	0	0
3,5-dimethoxy-4-hydroxybenzyl alcohol-4-O-beta-D-glucopyranoside	0	aromatic ether; benzyl alcohols; beta-D-glucoside; monosaccharide derivative; primary alcohol	antineoplastic agent; metabolite	0	0		low	0	0	0	0	0	0
PDGF receptor tyrosine kinase inhibitor III	0	aromatic ether; N-arylpiperazine; N-carbamoylpiperazine; phenylureas; quinazolines; tertiary amino compound	EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor	0	0		low	0	0	0	0	0	0
fluoxastrobin	0	aromatic ether; dioxazine; monochlorobenzenes; organofluorine compound; oxime O-ether; pyrimidines; strobilurin antifungal agent	antifungal agrochemical; mitochondrial cytochrome-bc1 complex inhibitor	0	0		low	0	0	0	0	0	0
flumorph	0	aromatic ether; enamide; morpholines; organofluorine compound; tertiary carboxamide		0	0		low	0	0	0	0	0	0
regorafenib	0	(trifluoromethyl)benzenes; aromatic ether; monochlorobenzenes; monofluorobenzenes; phenylureas; pyridinecarboxamide	antineoplastic agent; hepatotoxic agent; tyrosine kinase inhibitor	0	0		low	0	0	0	0	0	0
erastin	0	aromatic ether; diether; monochlorobenzenes; N-acylpiperazine; N-alkylpiperazine; quinazolines; tertiary carboxamide	antineoplastic agent; ferroptosis inducer; voltage-dependent anion channel inhibitor	0	0		low	0	0	0	0	0	0
brivanib	0	aromatic ether; diether; fluoroindole; pyrrolotriazine; secondary alcohol	angiogenesis inhibitor; antineoplastic agent; apoptosis inducer; drug metabolite; EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor; fibroblast growth factor receptor antagonist	0	0		low	0	0	0	0	0	0
fg-4592	0	aromatic ether; isoquinolines; N-acylglycine	EC 1.14.11.2 (procollagen-proline dioxygenase) inhibitor; EC 1.14.11.29 (hypoxia-inducible factor-proline dioxygenase) inhibitor	0	0		low	0	0	0	0	0	0
picoxystrobin	0	aromatic ether; enoate ester; enol ether; methoxyacrylate strobilurin antifungal agent; organofluorine compound; pyridines	antifungal agrochemical; mitochondrial cytochrome-bc1 complex inhibitor	0	0		low	0	0	0	0	0	0
cenicriviroc	0	aromatic ether; benzazocine; diether; imidazoles; secondary carboxamide; sulfoxide	anti-HIV agent; anti-inflammatory agent; antirheumatic drug; chemokine receptor 2 antagonist; chemokine receptor 5 antagonist	0	0		low	0	0	0	0	0	0
mandipropamid	0	aromatic ether; monocarboxylic acid amide; monochlorobenzenes; terminal acetylenic compound		0	0		low	0	0	0	0	0	0
glyceryl ferulate	0	1-monoglyceride; aromatic ether; enoate ester; phenols	antioxidant; plant metabolite; ultraviolet filter	0	0		low	0	0	0	0	0	0
ki 8751	0	aromatic ether		0	0		low	0	0	0	0	0	0
ceratamine a	0	alkaloid; aromatic ether; cyclic ketone; organic heterobicyclic compound; organobromine compound; secondary amino compound; tertiary amine	antimitotic; metabolite	0	0		low	0	0	0	0	0	0
azd 8931	0	aromatic ether; monochlorobenzenes; monofluorobenzenes; piperidines; quinazolines; secondary amino compound; tertiary amino compound	EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor; epidermal growth factor receptor antagonist	0	0		low	0	0	0	0	0	0
bay94 9172	0	(18)F radiopharmaceutical; aromatic ether; polyether; secondary amino compound; stilbenoid; substituted aniline	radioactive imaging agent	0	0		low	0	0	0	0	0	0
olodaterol	0	aromatic ether; benzoxazine; phenols; secondary alcohol; secondary amino compound	beta-adrenergic agonist; bronchodilator agent	0	0		low	0	0	0	0	0	0
dorsomorphin	0	aromatic ether; piperidines; pyrazolopyrimidine; pyridines	bone morphogenetic protein receptor antagonist; EC 2.7.11.31 {[hydroxymethylglutaryl-CoA reductase (NADPH)] kinase} inhibitor	0	0		low	0	0	0	0	0	0
cj-042794	0	aromatic ether		0	0		low	0	0	0	0	0	0
hu 308	0	aromatic ether; bridged compound; carbobicyclic compound; primary allylic alcohol; synthetic cannabinoid	anti-inflammatory agent; antihypertensive agent; apoptosis inhibitor; bone density conservation agent; CB2 receptor agonist	0	0		low	0	0	0	0	0	0
ki11502	0	aromatic ether; benzamides; quinolines; thioureas	antineoplastic agent; apoptosis inducer; EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor	0	0		low	0	0	0	0	0	0
apremilast	0	aromatic ether; N-acetylarylamine; phthalimides; sulfone	non-steroidal anti-inflammatory drug; phosphodiesterase IV inhibitor	0	0		low	0	0	0	0	0	0
PF-00835231	0	aromatic ether; indolecarboxamide; L-leucine derivative; primary alcohol; pyrrolidin-2-ones; secondary carboxamide	anticoronaviral agent; drug metabolite; EC 3.4.22.69 (SARS coronavirus main proteinase) inhibitor	0	0		low	0	0	0	0	0	0
3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-[1-(piperidin-4-yl)pyrazol-4-yl]pyridin-2-amine	0	aminopyridine; aromatic ether; dichlorobenzene; organofluorine compound; pyrazolylpiperidine; racemate	antineoplastic agent; biomarker; EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor	0	0		low	0	0	0	0	0	0
chir-265	0	aromatic ether		0	0		low	0	0	0	0	0	0
aminocandin	0	aromatic ether; echinocandin; homodetic cyclic peptide	antiinfective agent	0	0		low	0	0	0	0	0	0
zk 756326	0	aromatic ether		0	0		low	0	0	0	0	0	0
bay 60-6583	0	aminopyridine; aromatic ether; aryl sulfide; cyanopyridine; cyclopropanes; monocarboxylic acid amide	adenosine A2B receptor agonist; anti-inflammatory agent; cardioprotective agent	0	0		low	0	0	0	0	0	0
empagliflozin	0	aromatic ether; C-glycosyl compound; monochlorobenzenes; tetrahydrofuryl ether	hypoglycemic agent; sodium-glucose transport protein subtype 2 inhibitor	0	0		low	0	0	0	0	0	0
4-[5-(4-ethoxyphenyl)-3-isoxazolyl]-N-[(4-methylphenyl)methyl]butanamide	0	aromatic ether		0	0		low	0	0	0	0	0	0
bgt226	0	aromatic ether; imidazoquinoline; N-arylpiperazine; organofluorine compound; pyridines	antineoplastic agent; EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor; mTOR inhibitor	0	0		low	0	0	0	0	0	0
n-desmethylrosiglitazone	0	aromatic ether		0	0		low	0	0	0	0	0	0
4-(5-methyl-3-nitro-1-pyrazolyl)-N-[3-(4-methylphenoxy)-5-nitrophenyl]butanamide	0	aromatic ether		0	0		low	0	0	0	0	0	0
verruculogen	0	aromatic ether; diol; indole alkaloid; organic heterohexacyclic compound; organic peroxide	Aspergillus metabolite; GABA modulator; mycotoxin; Penicillium metabolite; potassium channel blocker	0	0		low	0	0	0	0	0	0
1-O-feruloyl-beta-D-glucose	0	aromatic ether; beta-D-glucoside; cinnamate ester; phenols	antioxidant; plant metabolite	0	0		low	0	0	0	0	0	0
2,2',4,5'-tetrabromodiphenyl ether	0	aromatic ether; organobromine compound		0	0		low	0	0	0	0	0	0
hexabromodiphenyl ether 154	0	aromatic ether; organobromine compound		0	0		low	0	0	0	0	0	0
bde 183	0	aromatic ether; organobromine compound		0	0		low	0	0	0	0	0	0
l-798106	0	aromatic ether; bromobenzenes; N-sulfonylcarboxamide	prostaglandin receptor antagonist	0	0		low	0	0	0	0	0	0
macitentan	0	aromatic ether; organobromine compound; pyrimidines; ring assembly; sulfamides	antihypertensive agent; endothelin receptor antagonist; orphan drug	0	0		low	0	0	0	0	0	0
CDN1163	0	aromatic ether; quinolines; secondary carboxamide	SERCA activator	0	0		low	0	0	0	0	0	0
e 7050	0	aromatic ether		0	0		low	0	0	0	0	0	0
N-[(5-chloro-2-thiophenyl)methyl]-5-[(2,6-difluorophenoxy)methyl]-3-isoxazolecarboxamide	0	aromatic ether		0	0		low	0	0	0	0	0	0
dafadine C	0	aromatic amide; aromatic ether; difluorobenzene; isoxazoles; N-acylpiperidine; pyridines	P450 inhibitor	0	0		low	0	0	0	0	0	0
dafadine B	0	aromatic amide; aromatic ether; isoxazoles; monochlorobenzenes; monofluorobenzenes; N-acylpiperidine; pyridines	P450 inhibitor	0	0		low	0	0	0	0	0	0
3-[5-(5-methyl-2-thiophenyl)-1,3,4-oxadiazol-2-yl]-N-[2-(3-pyridinyloxy)propyl]propanamide	0	aromatic ether		0	0		low	0	0	0	0	0	0
violaceol II	0	aromatic ether; catechols; resorcinols	mycotoxin	0	0		low	0	0	0	0	0	0
pamapimod	0	aromatic amine; aromatic ether; difluorobenzene; diol; primary alcohol; pyridopyrimidine; secondary amino compound	antirheumatic drug; EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor	0	0		low	0	0	0	0	0	0
gsk690693	0	1,2,5-oxadiazole; acetylenic compound; aromatic amine; aromatic ether; imidazopyridine; piperidines; primary amino compound; tertiary alcohol	antineoplastic agent; EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor	0	0		low	0	0	0	0	0	0
cnf 2024	0	2-aminopurines; aromatic ether; organochlorine compound; pyridines	antineoplastic agent; Hsp90 inhibitor	0	0		low	0	0	0	0	0	0
uk 453,061	0	aromatic ether		0	0		low	0	0	0	0	0	0
8-{1-[4-(dimethylamino)phenyl]-3-(pyrrolidin-1-yl)propyl}-5,7-dimethoxy-4-pentyl-2H-chromen-2-one	0	aromatic ether; coumarins; pyrrolidines; tertiary amino compound		0	0		low	0	0	0	0	0	0
zm323881	0	aromatic ether; benzyl ether; fluorophenol; halophenol; monofluorobenzenes; organic cation; quinazolines; secondary amino compound; substituted aniline	vascular endothelial growth factor receptor antagonist	0	0		low	0	0	0	0	0	0
compound w	0	aromatic ether		0	0		low	0	0	0	0	0	0
2-[[4-[2-[(2-methylpropan-2-yl)oxy]anilino]-6-(1-pyrrolidinyl)-1,3,5-triazin-2-yl]amino]ethanol	0	aromatic ether		0	0		low	0	0	0	0	0	0
interiotherin b	0	aromatic ether; fatty acid ester; lignan; organic heteropentacyclic compound; oxacycle	anti-HIV agent; metabolite	0	0		low	0	0	0	0	0	0
5,7-dihydroxy-3-(3-hydroxy-4-methoxybenzyl)-6-methoxychroman-4-one	0	aromatic ether; homoisoflavonoid; polyphenol	angiogenesis modulating agent; plant metabolite	0	0		low	0	0	0	0	0	0
ph 797804	0	aromatic ether; benzamides; organobromine compound; organofluorine compound; pyridone	anti-inflammatory agent; EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor	0	0		low	0	0	0	0	0	0
diorcinol	0	aromatic ether; phenols	fungal metabolite; marine metabolite; metabolite	0	0		low	0	0	0	0	0	0
2-[[4-(2-phenoxyanilino)-6-(1-pyrrolidinyl)-1,3,5-triazin-2-yl]amino]ethanol	0	aromatic ether		0	0		low	0	0	0	0	0	0
2-[[4-(1-pyrrolidinyl)-6-[2-(trifluoromethoxy)anilino]-1,3,5-triazin-2-yl]amino]ethanol	0	aromatic ether		0	0		low	0	0	0	0	0	0
2-[[4-(5-chloro-2-ethoxyanilino)-6-(1-pyrrolidinyl)-1,3,5-triazin-2-yl]amino]ethanol	0	aromatic ether		0	0		low	0	0	0	0	0	0
2-[[4-(5-chloro-2-propan-2-yloxyanilino)-6-(1-pyrrolidinyl)-1,3,5-triazin-2-yl]amino]ethanol	0	aromatic ether		0	0		low	0	0	0	0	0	0
mk 5108	0	aromatic ether		0	0		low	0	0	0	0	0	0
lde225	0	aminopyridine; aromatic ether; benzamides; biphenyls; morpholines; organofluorine compound; tertiary amino compound	antineoplastic agent; Hedgehog signaling pathway inhibitor; SMO receptor antagonist	0	0		low	0	0	0	0	0	0
1-azepanyl-[5-[(4-chloro-3,5-dimethylphenoxy)methyl]-3-isoxazolyl]methanone	0	aromatic ether		0	0		low	0	0	0	0	0	0
4-(1-((5-((2,6-dimethylphenoxy)methyl)-3-isoxazolyl)carbonyl)-4-piperidinyl)pyridine	0	aromatic amide; aromatic ether; isoxazoles; N-acylpiperidine; pyridines	geroprotector; P450 inhibitor	0	0		low	0	0	0	0	0	0
dafadine D	0	aromatic amide; aromatic ether; isoxazoles; N-acylpiperidine; organofluorine compound; pyridines	P450 inhibitor	0	0		low	0	0	0	0	0	0
1-[(1-ethyl-3-methyl-4-pyrazolyl)methyl]-N-[4-(2-fluorophenoxy)phenyl]-4-piperidinecarboxamide	0	aromatic ether		0	0		low	0	0	0	0	0	0
dafadine O	0	aromatic amide; aromatic ether; isoxazoles; N-acylpiperidine; pyridines; ring assembly	P450 inhibitor	0	0		low	0	0	0	0	0	0
5-[(3,4-dimethylphenoxy)methyl]-N-methyl-N-(4-oxanylmethyl)-3-isoxazolecarboxamide	0	aromatic ether		0	0		low	0	0	0	0	0	0
pci 32765	0	acrylamides; aromatic amine; aromatic ether; N-acylpiperidine; pyrazolopyrimidine; tertiary carboxamide	antineoplastic agent; EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor	0	0		low	0	0	0	0	0	0
florbetapir f 18	0	(18)F radiopharmaceutical; aromatic ether; organofluorine compound; pyridines; substituted aniline	radioactive imaging agent	0	0		low	0	0	0	0	0	0
AMG-208	0	aromatic ether; quinolines; triazolopyridazine	antineoplastic agent; c-Met tyrosine kinase inhibitor	0	0		low	0	0	0	0	0	0
6-methoxyspirotryprostatin b	0	aromatic ether; azaspiro compound; indole alkaloid; indolones	antineoplastic agent; Aspergillus metabolite	0	0		low	0	0	0	0	0	0
lucitanib	0	aromatic ether; cyclopropanes; naphthalenecarboxamide; primary amino compound; quinolines	antineoplastic agent; fibroblast growth factor receptor antagonist; vascular endothelial growth factor receptor antagonist	0	0		low	0	0	0	0	0	0
act-132577	0	aromatic ether; organobromine compound; pyrimidines; sulfamides	antihypertensive agent; drug metabolite; endothelin receptor antagonist; xenobiotic metabolite	0	0		low	0	0	0	0	0	0
cabozantinib	0	aromatic ether; dicarboxylic acid diamide; organofluorine compound; quinolines	antineoplastic agent; tyrosine kinase inhibitor	0	0		low	0	0	0	0	0	0
poziotinib	0	acrylamides; aromatic ether; dichlorobenzene; diether; monofluorobenzenes; N-acylpiperidine; quinazolines; secondary amino compound; substituted aniline	antineoplastic agent; apoptosis inducer; epidermal growth factor receptor antagonist	0	0		low	0	0	0	0	0	0
gsk 2126458	0	aromatic ether; difluorobenzene; pyridazines; pyridines; quinolines; sulfonamide	anticoronaviral agent; antineoplastic agent; autophagy inducer; EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor; mTOR inhibitor; radiosensitizing agent	0	0		low	0	0	0	0	0	0
gsk 1363089	0	aromatic ether		0	0		low	0	0	0	0	0	0
1-[(2S,3S)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl(methylsulfonyl)amino]methyl]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-3-propan-2-ylurea	0	aromatic ether		0	0		low	0	0	0	0	0	0
1-[(2S,3S)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl(methylsulfonyl)amino]methyl]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]-3-propan-2-ylurea	0	aromatic ether		0	0		low	0	0	0	0	0	0
3-cyclohexyl-1-[[(2S,3S)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-8-[[oxo-(propan-2-ylamino)methyl]amino]-3,4-dihydro-2H-1,5-benzoxazocin-2-yl]methyl]-1-methylurea	0	aromatic ether		0	0		low	0	0	0	0	0	0
3-cyclohexyl-1-[[(2S,3R)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-10-[[oxo-(propan-2-ylamino)methyl]amino]-3,4-dihydro-2H-1,5-benzoxazocin-2-yl]methyl]-1-methylurea	0	aromatic ether		0	0		low	0	0	0	0	0	0
N-[(2S,3S)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-[(4-phenoxyphenyl)methyl]amino]methyl]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]-4-pyridinecarboxamide	0	aromatic ether		0	0		low	0	0	0	0	0	0
1-(3,5-dimethyl-4-isoxazolyl)-3-[(2R,3R)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-(methylaminomethyl)-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]urea	0	aromatic ether		0	0		low	0	0	0	0	0	0
monepantel	0	(trifluoromethyl)benzenes; aromatic ether; aryl sulfide; nitrile; secondary carboxamide	anthelminthic drug; nematicide	0	0		low	0	0	0	0	0	0
an2728	0	aromatic ether; benzoxaborole; nitrile	antipsoriatic; non-steroidal anti-inflammatory drug; phosphodiesterase IV inhibitor	0	0		low	0	0	0	0	0	0
grazoprevir	0	aromatic ether; azamacrocycle; carbamate ester; cyclopropanes; lactam; N-sulfonylcarboxamide; quinoxaline derivative	antiviral drug; hepatitis C protease inhibitor; hepatoprotective agent	0	0		low	0	0	0	0	0	0
hordatine a	0	aromatic ether; benzofurans; dicarboxylic acid diamide; guanidines; phenols	adrenergic antagonist; metabolite	0	0		low	0	0	0	0	0	0
kavain	0	2-pyranones; aromatic ether		0	0		low	0	0	0	0	0	0
5-chloro-2-(3,5-dimethylphenyl)-4-(4-methoxyphenoxy)-3-pyridazinone	0	aromatic ether		0	0		low	0	0	0	0	0	0
tak-632	0	(trifluoromethyl)benzenes; aromatic ether; benzothiazoles; cyclopropylcarboxamide; monofluorobenzenes; nitrile; secondary carboxamide	antineoplastic agent; apoptosis inducer; B-Raf inhibitor; EC 2.7.11.26 (tau-protein kinase) inhibitor; necroptosis inhibitor	0	0		low	0	0	0	0	0	0
lrrk2-in1	0	aromatic amine; aromatic ether; N-acylpiperidine; N-alkylpiperazine; pyrimidobenzodiazepine; secondary amino compound; tertiary amino compound	antineoplastic agent; EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor	0	0		low	0	0	0	0	0	0
quinolobactin	0	aromatic ether; monohydroxyquinoline; phenols; quinolinemonocarboxylic acid	bacterial metabolite; siderophore	0	0		low	0	0	0	0	0	0
AZD1979	0	aromatic ether; azaspiro compound; carboxamide; N-acylazetidine; oxadiazole; oxaspiro compound; oxetanes	melanin-concentrating hormone receptor antagonist	0	0		low	0	0	0	0	0	0
ML240	0	aromatic amine; aromatic ether; benzimidazoles; primary amino compound; quinazolines; secondary amino compound	antineoplastic agent	0	0		low	0	0	0	0	0	0
aripiprazole lauroxil	0	aromatic ether; delta-lactam; dichlorobenzene; dodecanoate ester; N-alkylpiperazine; N-arylpiperazine; quinolone	H1-receptor antagonist; prodrug; second generation antipsychotic; serotonergic agonist	0	0		low	0	0	0	0	0	0
abt-199	0	aromatic ether; C-nitro compound; monochlorobenzenes; N-alkylpiperazine; N-arylpiperazine; N-sulfonylcarboxamide; oxanes; pyrrolopyridine	antineoplastic agent; apoptosis inducer; B-cell lymphoma 2 inhibitor	0	0		low	0	0	0	0	0	0
xl765	0	aromatic amine; aromatic ether; benzamides; quinoxaline derivative; sulfonamide	antineoplastic agent; EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor; mTOR inhibitor	0	0		low	0	0	0	0	0	0
DMH1	0	aromatic ether; pyrazolopyrimidine; quinolines	antineoplastic agent; bone morphogenetic protein receptor antagonist; protein kinase inhibitor	0	0		low	0	0	0	0	0	0
2-methoxy-N-[3-[4-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]anilino]-6-quinazolinyl]prop-2-enyl]acetamide	0	aromatic ether; methylpyridines; olefinic compound; quinazolines; secondary amino compound; secondary carboxamide; toluenes		0	0		low	0	0	0	0	0	0
pf 4800567	0	aromatic ether; monochlorobenzenes; oxanes; pyrazolopyrimidine	EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor	0	0		low	0	0	0	0	0	0
propenylphosphonic acid	0	aromatic ether		0	0		low	0	0	0	0	0	0
abt-333	0	aromatic ether; naphthalenes; pyrimidone; sulfonamide	antiviral drug; nonnucleoside hepatitis C virus polymerase inhibitor	0	0		low	0	0	0	0	0	0
naloxegol	0	aromatic ether; organic heteropentacyclic compound; phenols; polyether; tertiary alcohol	cathartic; mu-opioid receptor antagonist	0	0		low	0	0	0	0	0	0
ceritinib	0	aminopyrimidine; aromatic ether; organochlorine compound; piperidines; secondary amino compound; sulfone	antineoplastic agent; EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor	0	0		low	0	0	0	0	0	0
MK-8353	0	aromatic ether; dihydropyridine; indazoles; methyl sulfide; N-alkylpyrrolidine; pyridines; pyrrolidinecarboxamide; secondary carboxamide; tertiary carboxamide; triazoles	antineoplastic agent; apoptosis inducer; EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor	0	0		low	0	0	0	0	0	0
HG-10-102-01	0	aminopyrimidine; aromatic ether; monocarboxylic acid amide; morpholines; organochlorine compound; secondary amino compound	EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor	0	0		low	0	0	0	0	0	0
N-[(5-methyl-2-furanyl)methylideneamino]-2-phenoxybenzamide	0	aromatic ether		0	0		low	0	0	0	0	0	0
saroglitazar	0	aromatic ether; methyl sulfide; monocarboxylic acid; pyrroles	hypoglycemic agent; PPARalpha agonist; PPARgamma agonist	0	0		low	0	0	0	0	0	0
fertaric acid	0	aromatic ether; cinnamate ester; dicarboxylic acid; phenols; tetraric acid derivative		0	0		low	0	0	0	0	0	0
2-[4-(4-chlorophenoxy)-2-(trifluoromethyl)phenyl]-1-(1H-1,2,4-triazol-1-yl)propan-2-ol	0	(trifluoromethyl)benzenes; aromatic ether; monochlorobenzenes; tertiary alcohol; triazoles		0	0		low	0	0	0	0	0	0
pf-06463922	0	aminopyridine; aromatic ether; azamacrocycle; benzamides; cyclic ether; monofluorobenzenes; nitrile; organic heterotetracyclic compound; pyrazoles	antineoplastic agent; EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor	0	0		low	0	0	0	0	0	0
DDR1-IN-1	0	(trifluoromethyl)benzenes; aromatic ether; benzamides; N-alkylpiperazine; oxindoles; secondary carboxamide	EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor	0	0		low	0	0	0	0	0	0
ldc4297	0	aromatic ether; piperidines; pyrazoles; pyrazolotriazine; secondary amino compound	antineoplastic agent; antiviral agent; apoptosis inducer; EC 2.7.11.22 (cyclin-dependent kinase) inhibitor	0	0		low	0	0	0	0	0	0
MLI-2	0	aromatic ether; cyclopropanes; indazoles; morpholines; pyrimidines; tertiary amino compound	EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor	0	0		low	0	0	0	0	0	0
ap20187	0	aromatic ether; carboxylic ester; N-acylpiperidine; tertiary amino compound	ligand	0	0		low	0	0	0	0	0	0
methysticin	0	2-pyranones; aromatic ether		0	0		low	0	0	0	0	0	0
biliatresone	0	aromatic ether; aromatic ketone; benzodioxoles; enone; phenols	plant metabolite; toxin	0	0		low	0	0	0	0	0	0
tak 491	0	1,2,4-oxadiazole; aromatic ether; benzimidazoles; carboxylic ester; cyclic carbonate ester; dioxolane	angiotensin receptor antagonist; antihypertensive agent; prodrug	0	0		low	0	0	0	0	0	0
azilsartan	0	1,2,4-oxadiazole; aromatic ether; benzimidazolecarboxylic acid	angiotensin receptor antagonist; antihypertensive agent	0	0		low	0	0	0	0	0	0
hydrazinocurcumin	0	aromatic ether; olefinic compound; polyphenol; pyrazoles	angiogenesis modulating agent; antineoplastic agent; EC 2.3.1.48 (histone acetyltransferase) inhibitor; EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor	0	0		low	0	0	0	0	0	0
mirodenafil	0	aromatic ether; N-alkylpiperazine; primary alcohol; pyrrolopyrimidine; sulfonamide	EC 3.1.4.35 (3',5'-cyclic-GMP phosphodiesterase) inhibitor; vasodilator agent	0	0		low	0	0	0	0	0	0
cerulomycin	0	aldoxime; aromatic ether; bipyridines; pyridine alkaloid	antineoplastic agent; bacterial metabolite; marine metabolite	0	0		low	0	0	0	0	0	0
undecylprodigiosin	0	alkaloid; aromatic ether; tripyrrole	antibacterial agent; antineoplastic agent; apoptosis inducer; bacterial metabolite; biological pigment; immunosuppressive agent; radiosensitizing agent	0	0		low	0	0	0	0	0	0
sb-590885	0	aromatic ether; imidazoles; ketoxime; pyridines; tertiary amino compound		0	0		low	0	0	0	0	0	0
2-[[4-(trifluoromethoxy)phenyl]methylthio]-1,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one	0	aromatic ether		0	0		low	0	0	0	0	0	0
PF-07304814	0	aromatic ether; indolecarboxamide; L-leucine derivative; phosphate monoester; pyrrolidin-2-ones; secondary carboxamide	anticoronaviral agent; EC 3.4.22.69 (SARS coronavirus main proteinase) inhibitor; prodrug	0	0		low	0	0	0	0	0	0
threo-alpha-methylisocitrate	0	methylisocitric acid; tertiary alcohol; tricarboxylic acid		0	0		low	0	0	0	0	0	0
meglutol	0	3-hydroxy carboxylic acid; dicarboxylic acid; tertiary alcohol	anticholesteremic drug; antimetabolite; EC 1.1.1.34/EC 1.1.1.88 (hydroxymethylglutaryl-CoA reductase) inhibitor; human metabolite; plant metabolite	0	0		low	0	0	0	0	0	0
bicalutamide	0	(trifluoromethyl)benzenes; monocarboxylic acid amide; monofluorobenzenes; nitrile; sulfone; tertiary alcohol		0	0		low	0	0	0	0	0	0
biperiden	0	piperidines; tertiary alcohol; tertiary amino compound	antidote to sarin poisoning; antidyskinesia agent; antiparkinson drug; muscarinic antagonist; parasympatholytic	0	0		low	0	0	0	0	0	0
cyclopentolate	0	carboxylic ester; tertiary alcohol; tertiary amino compound	diagnostic agent; muscarinic antagonist; mydriatic agent; parasympatholytic	0	0		low	0	0	0	0	0	0
cycrimine	0	piperidines; tertiary alcohol; tertiary amino compound	antidyskinesia agent; antiparkinson drug; muscarinic antagonist	0	0		low	0	0	0	0	0	0
diphenidol	0	benzenes; piperidines; tertiary alcohol	antiemetic	0	0		low	0	0	0	0	0	0
fluconazole	0	conazole antifungal drug; difluorobenzene; tertiary alcohol; triazole antifungal drug	environmental contaminant; P450 inhibitor; xenobiotic	0	0		low	0	0	0	0	0	0
haloperidol	0	aromatic ketone; hydroxypiperidine; monochlorobenzenes; organofluorine compound; tertiary alcohol	antidyskinesia agent; antiemetic; dopaminergic antagonist; first generation antipsychotic; serotonergic antagonist	0	0		low	0	0	0	0	0	0
heptaminol	0	tertiary alcohol		0	0		low	0	0	0	0	0	0
loperamide	0	monocarboxylic acid amide; monochlorobenzenes; piperidines; tertiary alcohol	anticoronaviral agent; antidiarrhoeal drug; mu-opioid receptor agonist	0	0		low	0	0	0	0	0	0
oxybutynin	0	acetylenic compound; carboxylic ester; racemate; tertiary alcohol; tertiary amino compound	antispasmodic drug; calcium channel blocker; local anaesthetic; muscarinic antagonist; muscle relaxant; parasympatholytic	0	0		low	0	0	0	0	0	0
pridinol	0	piperidines; tertiary alcohol	antiparkinson drug; muscle relaxant	0	0		low	0	0	0	0	0	0
procyclidine	0	pyrrolidines; tertiary alcohol	antidyskinesia agent; antiparkinson drug; muscarinic antagonist	0	0		low	0	0	0	0	0	0
venlafaxine	0	cyclohexanols; monomethoxybenzene; tertiary alcohol; tertiary amino compound	adrenergic uptake inhibitor; analgesic; antidepressant; dopamine uptake inhibitor; environmental contaminant; serotonin uptake inhibitor; xenobiotic	0	0		low	0	0	0	0	0	0
chlorobutanol	0	tertiary alcohol		0	0		low	0	0	0	0	0	0
vincristine	0	acetate ester; formamides; methyl ester; organic heteropentacyclic compound; organic heterotetracyclic compound; tertiary alcohol; tertiary amino compound; vinca alkaloid	antineoplastic agent; drug; microtubule-destabilising agent; plant metabolite; tubulin modulator	0	0		low	0	0	0	0	0	0
norethindrone	0	17beta-hydroxy steroid; 3-oxo-Delta(4) steroid; terminal acetylenic compound; tertiary alcohol	progestin; synthetic oral contraceptive	0	0		low	0	0	0	0	0	0
tert-butyl alcohol	0	tertiary alcohol	human xenobiotic metabolite	0	0		low	0	0	0	0	0	0
tert-amyl alcohol	0	aliphatic alcohol; tertiary alcohol	protic solvent	0	0		low	0	0	0	0	0	0
linalool	0	monoterpenoid; tertiary alcohol	antimicrobial agent; fragrance; plant metabolite; volatile oil component	0	0		low	0	0	0	0	0	0
hydroxycitronellal	0	tertiary alcohol	allergen; fragrance	0	0		low	0	0	0	0	0	0
3-hydroxy-3-methylbutene	0	olefinic compound; tertiary alcohol	animal metabolite; fragrance; pheromone; plant metabolite	0	0		low	0	0	0	0	0	0
dicofol	0	monochlorobenzenes; organochlorine acaricide; tertiary alcohol		0	0		low	0	0	0	0	0	0
hematoxylin	0	organic heterotetracyclic compound; oxacycle; polyphenol; tertiary alcohol	histological dye; plant metabolite	0	0		low	0	0	0	0	0	0
4-methyl-1-(1-methylethyl)-3-cyclohexen-1-ol	0	terpineol; tertiary alcohol	anti-inflammatory agent; antibacterial agent; antineoplastic agent; antioxidant; antiparasitic agent; apoptosis inducer; plant metabolite; volatile oil component	0	0		low	0	0	0	0	0	0
2-phenyl-2-propanol	0	benzyl alcohols; tertiary alcohol	human xenobiotic metabolite; Mycoplasma genitalium metabolite	0	0		low	0	0	0	0	0	0
ethylestrenol	0	17beta-hydroxy steroid; tertiary alcohol	anabolic agent	0	0		low	0	0	0	0	0	0
tridihexethyl	0	quaternary ammonium ion; tertiary alcohol	anti-ulcer drug; antispasmodic drug; muscarinic antagonist	0	0		low	0	0	0	0	0	0
camptothecin	0	delta-lactone; pyranoindolizinoquinoline; quinoline alkaloid; tertiary alcohol	antineoplastic agent; EC 5.99.1.2 (DNA topoisomerase) inhibitor; genotoxin; plant metabolite	0	0		low	0	0	0	0	0	0
stanozolol	0	17beta-hydroxy steroid; anabolic androgenic steroid; organic heteropentacyclic compound; tertiary alcohol	anabolic agent; androgen	0	0		low	0	0	0	0	0	0
ancymidol	0	pyrimidines; tertiary alcohol	cellulose synthesis inhibitor; gibberellin biosynthesis inhibitor; plant growth retardant	0	0		low	0	0	0	0	0	0
butaclamol	0	amino alcohol; organic heteropentacyclic compound; tertiary alcohol; tertiary amino compound	dopaminergic antagonist	0	0		low	0	0	0	0	0	0
vindesine	0	methyl ester; organic heteropentacyclic compound; organic heterotetracyclic compound; primary carboxamide; tertiary alcohol; tertiary amino compound; vinca alkaloid	antineoplastic agent	0	0		low	0	0	0	0	0	0
fenarimol	0	monochlorobenzenes; pyrimidines; tertiary alcohol		0	0		low	0	0	0	0	0	0
irinotecan	0	carbamate ester; delta-lactone; N-acylpiperidine; pyranoindolizinoquinoline; ring assembly; tertiary alcohol; tertiary amino compound	antineoplastic agent; apoptosis inducer; EC 5.99.1.2 (DNA topoisomerase) inhibitor; prodrug	0	0		low	0	0	0	0	0	0
cedrol	0	cedrane sesquiterpenoid; tertiary alcohol		0	0		low	0	0	0	0	0	0
hexaconazole	0	dichlorobenzene; tertiary alcohol; triazoles	chelator	0	0		low	0	0	0	0	0	0
voriconazole	0	conazole antifungal drug; difluorobenzene; pyrimidines; tertiary alcohol; triazole antifungal drug	P450 inhibitor	0	0		low	0	0	0	0	0	0
warburganal	0	tertiary alcohol		0	0		low	0	0	0	0	0	0
brazilin	0	catechols; organic heterotetracyclic compound; tertiary alcohol	anti-inflammatory agent; antibacterial agent; antineoplastic agent; antioxidant; apoptosis inducer; biological pigment; hepatoprotective agent; histological dye; NF-kappaB inhibitor; plant metabolite	0	0		low	0	0	0	0	0	0
tebuconazole	0	monochlorobenzenes; tertiary alcohol; triazoles		0	0		low	0	0	0	0	0	0
cyproconazole	0	cyclopropanes; monochlorobenzenes; tertiary alcohol; triazoles		0	0		low	0	0	0	0	0	0
metconazole	0	conazole fungicide; cyclopentanols; monochlorobenzenes; tertiary alcohol; triazole fungicide; triazoles	antifungal agrochemical; EC 1.14.13.70 (sterol 14alpha-demethylase) inhibitor	0	0		low	0	0	0	0	0	0
(1-hydroxycyclopentyl)phenylacetic acid	0	monocarboxylic acid; tertiary alcohol		0	0		low	0	0	0	0	0	0
beta-eudesmol	0	carbobicyclic compound; eudesmane sesquiterpenoid; tertiary alcohol	volatile oil component	0	0		low	0	0	0	0	0	0
flutriafol	0	monofluorobenzenes; tertiary alcohol; triazoles		0	0		low	0	0	0	0	0	0
elemol	0	olefinic compound; sesquiterpenoid; tertiary alcohol	fragrance; plant metabolite	0	0		low	0	0	0	0	0	0
biperiden hydrochloride	0	hydrochloride; piperidines; tertiary alcohol	antiparkinson drug; muscarinic antagonist; parasympatholytic	0	0		low	0	0	0	0	0	0
spathulenol	0	carbotricyclic compound; olefinic compound; sesquiterpenoid; tertiary alcohol	anaesthetic; plant metabolite; vasodilator agent; volatile oil component	0	0		low	0	0	0	0	0	0
alpha-eudesmol	0	eudesmane sesquiterpenoid; octahydronaphthalenes; tertiary alcohol	volatile oil component	0	0		low	0	0	0	0	0	0
aeroplysinin i	0	tertiary alcohol		0	0		low	0	0	0	0	0	0
sn 38	0	delta-lactone; phenols; pyranoindolizinoquinoline; tertiary alcohol	antineoplastic agent; apoptosis inducer; drug metabolite; EC 5.99.1.2 (DNA topoisomerase) inhibitor	0	0		low	0	0	0	0	0	0
paxilline	0	diterpene alkaloid; enone; organic heterohexacyclic compound; terpenoid indole alkaloid; tertiary alcohol	anticonvulsant; Aspergillus metabolite; EC 3.6.3.8 (Ca(2+)-transporting ATPase) inhibitor; genotoxin; geroprotector; mycotoxin; Penicillium metabolite; potassium channel blocker	0	0		low	0	0	0	0	0	0
cafestol	0	diterpenoid; furans; organic heteropentacyclic compound; primary alcohol; tertiary alcohol	angiogenesis inhibitor; anti-inflammatory agent; antineoplastic agent; antioxidant; apoptosis inducer; hypoglycemic agent; plant metabolite	0	0		low	0	0	0	0	0	0
kahweol	0	diterpenoid; furans; organic heteropentacyclic compound; primary alcohol; tertiary alcohol	angiogenesis inhibitor; anti-inflammatory agent; antineoplastic agent; antioxidant; apoptosis inducer; plant metabolite	0	0		low	0	0	0	0	0	0
megestrol acetate	0	bridged compound; organic heterotetracyclic compound; secondary alcohol; sesquiterpene lactone; spiro compound; tertiary alcohol; tetrol	GABA antagonist; neurotoxin; phytogenic insecticide; plant metabolite	0	0		low	0	0	0	0	0	0
aclacinomycin	0	aminoglycoside; anthracycline; deoxy hexoside; methyl ester; monosaccharide derivative; phenols; polyketide; tertiary alcohol; tetracenequinones; zwitterion	antimicrobial agent; antineoplastic agent; metabolite	0	0		low	0	0	0	0	0	0
columbianetin	0	furanocoumarin; tertiary alcohol		0	0		low	0	0	0	0	0	0
aklavinone	0	anthracycline; methyl ester; tertiary alcohol; tetracenequinones	antineoplastic agent	0	0		low	0	0	0	0	0	0
t-cadinol	0	cadinane sesquiterpenoid; carbobicyclic compound; octahydronaphthalenes; tertiary alcohol	plant metabolite; volatile oil component	0	0		low	0	0	0	0	0	0
withanolide d	0	20-hydroxy steroid; 4-hydroxy steroid; delta-lactone; enone; epoxy steroid; ergostanoid; secondary alcohol; tertiary alcohol; withanolide	antineoplastic agent	0	0		low	0	0	0	0	0	0
diplopterol	0	hopanoid; pentacyclic triterpenoid; tertiary alcohol	plant metabolite	0	0		low	0	0	0	0	0	0
inuviscolide	0	gamma-lactone; organic heterotricyclic compound; sesquiterpene lactone; tertiary alcohol	anti-inflammatory agent; plant metabolite	0	0		low	0	0	0	0	0	0
diflomotecan	0	epsilon-lactone; organic heteropentacyclic compound; organofluorine compound; organonitrogen heterocyclic compound; tertiary alcohol	antineoplastic agent; EC 5.99.1.2 (DNA topoisomerase) inhibitor	0	0		low	0	0	0	0	0	0
vincaleukoblastine	0	acetate ester; indole alkaloid fundamental parent; methyl ester; organic heteropentacyclic compound; organic heterotetracyclic compound; tertiary alcohol; tertiary amino compound; vinca alkaloid	antineoplastic agent; immunosuppressive agent; microtubule-destabilising agent; plant metabolite	0	0		low	0	0	0	0	0	0
Ovalicine subst.	0	tertiary alcohol		0	0		low	0	0	0	0	0	0
homoharringtonine	0	alkaloid ester; enol ether; organic heteropentacyclic compound; tertiary alcohol	anticoronaviral agent; antineoplastic agent; apoptosis inducer; protein synthesis inhibitor	0	0		low	0	0	0	0	0	0
deltaline	0	acetate ester; cyclic acetal; diterpene alkaloid; organic polycyclic compound; tertiary alcohol; tertiary amino compound		0	0		low	0	0	0	0	0	0
phorbol	0	cyclic ketone; enone; tertiary alcohol; tertiary alpha-hydroxy ketone; tetracyclic diterpenoid		0	0		low	0	0	0	0	0	0
picrotin	0	diol; epoxide; gamma-lactone; organic heteropentacyclic compound; picrotoxane sesquiterpenoid; tertiary alcohol	plant metabolite	0	0		low	0	0	0	0	0	0
picrotoxinin	0	epoxide; gamma-lactone; organic heteropentacyclic compound; picrotoxane sesquiterpenoid; tertiary alcohol	GABA antagonist; plant metabolite; serotonergic antagonist	0	0		low	0	0	0	0	0	0
cinnamodial	0	tertiary alcohol		0	0		low	0	0	0	0	0	0
theogallin	0	gallate ester; monocarboxylic acid; tertiary alcohol		0	0		low	0	0	0	0	0	0
kt 5720	0	carboxylic ester; gamma-lactam; hemiaminal; indolocarbazole; organic heterooctacyclic compound; semisynthetic derivative; tertiary alcohol	EC 2.7.11.11 (cAMP-dependent protein kinase) inhibitor	0	0		low	0	0	0	0	0	0
ravuconazole	0	1,3-thiazoles; fluorobenzenes; nitrile; tertiary alcohol; triazoles	antifungal drug; antileishmanial agent; EC 1.14.14.154 (sterol 14alpha-demethylase) inhibitor; ergosterol biosynthesis inhibitor	0	0		low	0	0	0	0	0	0
16beta,17-dihydroxy-ent-kaurane-19-oic acid	0	bridged compound; diol; ent-kaurane diterpenoid; hydroxy monocarboxylic acid; primary alcohol; tertiary alcohol	anti-HIV agent; metabolite	0	0		low	0	0	0	0	0	0
rubitecan	0	C-nitro compound; delta-lactone; pyranoindolizinoquinoline; semisynthetic derivative; tertiary alcohol	antineoplastic agent; EC 5.99.1.2 (DNA topoisomerase) inhibitor; prodrug	0	0		low	0	0	0	0	0	0
efinaconazole	0	conazole antifungal drug; olefinic compound; organofluorine compound; piperidines; tertiary alcohol; tertiary amino compound; triazole antifungal drug	EC 1.14.13.70 (sterol 14alpha-demethylase) inhibitor	0	0		low	0	0	0	0	0	0
manool	0	labdane diterpenoid; tertiary alcohol	antibacterial agent; antineoplastic agent; plant metabolite	0	0		low	0	0	0	0	0	0
t-muurolol	0	cadinane sesquiterpenoid; carbobicyclic compound; octahydronaphthalenes; tertiary alcohol	bacterial metabolite; fungicide; marine metabolite; plant metabolite; volatile oil component	0	0		low	0	0	0	0	0	0
blister	0	cyclic ketone; pyrroloquinoline; tertiary alcohol; tertiary alpha-hydroxy ketone	inhibitor	0	0		low	0	0	0	0	0	0
senecionine	0	lactone; pyrrolizidine alkaloid; tertiary alcohol	plant metabolite	0	0		low	0	0	0	0	0	0
azadirachtin	0	acetate ester; azadirachtin; cyclic hemiketal; enoate ester; epoxide; methyl ester; organic heterotetracyclic compound; secondary alcohol; tertiary alcohol	hepatoprotective agent	0	0		low	0	0	0	0	0	0
ophiobolin a	0	cyclic ketone; enal; oxaspiro compound; sesterterpenoid; tertiary alcohol		0	0		low	0	0	0	0	0	0
josamycin	0	acetate ester; aldehyde; disaccharide derivative; glycoside; macrolide antibiotic; tertiary alcohol; tertiary amino compound	antibacterial drug; metabolite	0	0		low	0	0	0	0	0	0
ethisterone	0	17beta-hydroxy steroid; 3-oxo-Delta(4) steroid; terminal acetylenic compound; tertiary alcohol	drug metabolite; progestin	0	0		low	0	0	0	0	0	0
naloxone	0	morphinane alkaloid; organic heteropentacyclic compound; tertiary alcohol	antidote to opioid poisoning; central nervous system depressant; mu-opioid receptor antagonist	0	0		low	0	0	0	0	0	0
lasalocid	0	beta-hydroxy ketone; monocarboxylic acid; monohydroxybenzoic acid; oxanes; oxolanes; polyether antibiotic; secondary alcohol; tertiary alcohol	bacterial metabolite; coccidiostat; ionophore	0	0		low	0	0	0	0	0	0
rhodopin	0	carotenol; tertiary alcohol	bacterial metabolite	0	0		low	0	0	0	0	0	0
manumycin	0	enamide; epoxide; organic heterobicyclic compound; polyketide; secondary carboxamide; tertiary alcohol	antiatherosclerotic agent; antimicrobial agent; antineoplastic agent; apoptosis inducer; bacterial metabolite; EC 1.8.1.9 (thioredoxin reductase) inhibitor; EC 2.5.1.58 (protein farnesyltransferase) inhibitor; marine metabolite	0	0		low	0	0	0	0	0	0
squalestatin 1	0	acetate ester; cyclic ketal; oxabicycloalkane; polyketide; tertiary alcohol; tricarboxylic acid	EC 2.5.1.21 (squalene synthase) inhibitor; fungal metabolite	0	0		low	0	0	0	0	0	0
riddelliine n-oxide	0	diol; macrocyclic lactone; olefinic compound; organic heterotricyclic compound; primary alcohol; pyrrolizine alkaloid; tertiary alcohol; tertiary amine oxide	carcinogenic agent; genotoxin; human xenobiotic metabolite; Jacobaea metabolite; mutagen; rat metabolite	0	0		low	0	0	0	0	0	0
asukamycin	0	enamide; epoxide; organic heterobicyclic compound; polyketide; secondary carboxamide; tertiary alcohol	antibacterial agent; antifungal agent; antimicrobial agent; antineoplastic agent; bacterial metabolite	0	0		low	0	0	0	0	0	0
bacterioruberin	0	C50 carotenoid; tertiary alcohol; tetrol	bacterial metabolite; biological pigment	0	0		low	0	0	0	0	0	0
prothioconazole	0	cyclopropanes; monochlorobenzenes; tertiary alcohol; thiocarbonyl compound; triazoles		0	0		low	0	0	0	0	0	0
isavuconazole	0	1,3-thiazoles; conazole antifungal drug; difluorobenzene; nitrile; tertiary alcohol; triazole antifungal drug	EC 1.14.13.70 (sterol 14alpha-demethylase) inhibitor; ergosterol biosynthesis inhibitor; orphan drug	0	0		low	0	0	0	0	0	0
grayanotoxin i	0	acetate ester; pentol; secondary alcohol; tertiary alcohol; tetracyclic diterpenoid	antihypertensive agent; metabolite; neuromuscular agent; phytotoxin	0	0		low	0	0	0	0	0	0
n-demethylloperamide	0	monocarboxylic acid amide; monochlorobenzenes; piperidines; tertiary alcohol	drug metabolite	0	0		low	0	0	0	0	0	0
tmc-95a	0	indoles; lactam; macrocycle; phenols; secondary alcohol; tertiary alcohol	antimicrobial agent; antineoplastic agent; bacterial metabolite; fungal metabolite; proteasome inhibitor	0	0		low	0	0	0	0	0	0
yw 3548	0	olefinic compound; terpene lactone; tertiary alcohol	fungal metabolite; glycerophosphoinositol synthesis inhibitor	0	0		low	0	0	0	0	0	0
alpha-cadinol	0	cadinane sesquiterpenoid; carbobicyclic compound; octahydronaphthalenes; tertiary alcohol	fungicide; plant metabolite; volatile oil component	0	0		low	0	0	0	0	0	0
hydroxyibuprofen	0	hydroxy monocarboxylic acid; tertiary alcohol	drug metabolite	0	0		low	0	0	0	0	0	0
tmc-95b	0	indoles; lactam; macrocycle; phenols; secondary alcohol; tertiary alcohol	antimicrobial agent; antineoplastic agent; fungal metabolite; proteasome inhibitor	0	0		low	0	0	0	0	0	0
homocamptothecin	0	epsilon-lactone; organic heteropentacyclic compound; organonitrogen heterocyclic compound; tertiary alcohol	antineoplastic agent; EC 5.99.1.2 (DNA topoisomerase) inhibitor	0	0		low	0	0	0	0	0	0
ossamycin	0	cyclic hemiketal; macrolide antibiotic; organic heterotetracyclic compound; secondary alcohol; spiroketal; tertiary alcohol	antineoplastic agent; bacterial metabolite	0	0		low	0	0	0	0	0	0
vibrioferrin	0	carboxylic ester; N-acyl hemiaminal; pyrrolidin-2-ones; tertiary alcohol; tricarboxylic acid	marine metabolite; siderophore	0	0		low	0	0	0	0	0	0
bms 477118	0	adamantanes; azabicycloalkane; monocarboxylic acid amide; nitrile; tertiary alcohol	EC 3.4.14.5 (dipeptidyl-peptidase IV) inhibitor; hypoglycemic agent	0	0		low	0	0	0	0	0	0
cubebol	0	carbotricyclic compound; sesquiterpenoid; tertiary alcohol		0	0		low	0	0	0	0	0	0
myrocin a	0	tertiary alcohol	metabolite	0	0		low	0	0	0	0	0	0
diversonol	0	phenols; tertiary alcohol	antibacterial agent; metabolite	0	0		low	0	0	0	0	0	0
zaragozic acid c	0	acetate ester; cyclic ketal; oxabicycloalkane; polyketide; tertiary alcohol; tricarboxylic acid	EC 2.5.1.21 (squalene synthase) inhibitor; fungal metabolite	0	0		low	0	0	0	0	0	0
viridiflorol	0	carbotricyclic compound; sesquiterpenoid; tertiary alcohol	anti-inflammatory agent; antifeedant; antimycobacterial drug; plant metabolite; volatile oil component	0	0		low	0	0	0	0	0	0
oplodiol	0	carbobicyclic compound; octahydronaphthalenes; secondary alcohol; sesquiterpenoid; tertiary alcohol	plant metabolite	0	0		low	0	0	0	0	0	0
kt 5926	0	gamma-lactam; hemiaminal; indolocarbazole; methyl ester; organic heterooctacyclic compound; tertiary alcohol	EC 2.7.11.18 (myosin-light-chain kinase) inhibitor	0	0		low	0	0	0	0	0	0
methampicillin	0	monochlorobenzenes; tertiary alcohol; triazoles	brassinosteroid biosynthesis inhibitor	0	0		low	0	0	0	0	0	0
vibsanin b	0	cyclic terpene ketone; enone; tertiary alcohol; vibsane diterpenoid	plant growth retardant; plant metabolite	0	0		low	0	0	0	0	0	0
gdc-0973	0	aromatic amine; difluorobenzene; N-acylazetidine; organoiodine compound; piperidines; secondary amino compound; tertiary alcohol	antineoplastic agent; EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor	0	0		low	0	0	0	0	0	0
germacradienol	0	germacrane sesquiterpenoid; tertiary alcohol		0	0		low	0	0	0	0	0	0
azd 7545	0	benzamides; monochlorobenzenes; organofluorine compound; secondary carboxamide; sulfone; tertiary alcohol; tertiary carboxamide	EC 2.7.11.2 - [pyruvate dehydrogenase (acetyl-transferring)] kinase inhibitor; hypoglycemic agent	0	0		low	0	0	0	0	0	0
benzoylaconine	0	benzoate ester; bridged compound; diterpene alkaloid; organic heteropolycyclic compound; polyether; secondary alcohol; tertiary alcohol; tertiary amino compound; tetrol	phytotoxin; plant metabolite	0	0		low	0	0	0	0	0	0
berkeleydione	0	beta-diketone; cyclic terpene ketone; meroterpenoid; methyl ester; organic heterotetracyclic compound; terpene lactone; tertiary alcohol; tertiary alpha-hydroxy ketone	antineoplastic agent; cysteine protease inhibitor; Penicillium metabolite	0	0		low	0	0	0	0	0	0
berkeleytrione	0	beta-diketone; carbopolycyclic compound; cyclic terpene ketone; meroterpenoid; methyl ester; tertiary alcohol; tertiary alpha-hydroxy ketone	cysteine protease inhibitor; Penicillium metabolite	0	0		low	0	0	0	0	0	0
bromophycolide a	0	diterpenoid; macrolide; organobromine compound; phenols; tertiary alcohol	anti-HIV agent; antibacterial agent; antifungal agent; antimalarial; antineoplastic agent; metabolite	0	0		low	0	0	0	0	0	0
caribenol a	0	organic heterotetracyclic compound; terpene lactone; tertiary alcohol	antimalarial; antitubercular agent; metabolite	0	0		low	0	0	0	0	0	0
benzoylmesaconine	0	benzoate ester; bridged compound; diterpene alkaloid; organic heteropolycyclic compound; polyether; secondary alcohol; tertiary alcohol; tertiary amino compound; tetrol	analgesic; antiinfective agent; plant metabolite	0	0		low	0	0	0	0	0	0
papuamide b	0	cyclodepsipeptide; olefinic compound; secondary alcohol; tertiary alcohol	anti-HIV-1 agent; antineoplastic agent; marine metabolite	0	0		low	0	0	0	0	0	0
staphyloferrin b	0	oxo carboxylic acid; tertiary alcohol; tricarboxylic acid amide; tricarboxylic acid	bacterial metabolite; siderophore	0	0		low	0	0	0	0	0	0
staphyloferrin a	0	D-ornithine derivative; pentacarboxylic acid; tertiary alcohol; tricarboxylic acid amide	bacterial metabolite; siderophore	0	0		low	0	0	0	0	0	0
eurycomanone	0	cyclic ether; delta-lactone; enone; organic heteropentacyclic compound; pentol; quassinoid; secondary alcohol; secondary alpha-hydroxy ketone; tertiary alcohol	antimalarial; antineoplastic agent; metabolite	0	0		low	0	0	0	0	0	0
gardenoside	0	beta-D-glucoside; cyclopentapyran; enoate ester; methyl ester; monosaccharide derivative; tertiary alcohol	metabolite	0	0		low	0	0	0	0	0	0
asperfuranone	0	2-benzofurans; cyclic ketone; diol; polyketide; secondary alcohol; tertiary alcohol; tertiary alpha-hydroxy ketone	antineoplastic agent; fungal metabolite	0	0		low	0	0	0	0	0	0
praliciguat	0	aminopyrimidine; isoxazoles; monofluorobenzenes; organofluorine compound; pyrazoles; secondary amino compound; tertiary alcohol	anti-inflammatory agent; antihypertensive agent; soluble guanylate cyclase activator; vasodilator agent	0	0		low	0	0	0	0	0	0
ambrein	0	tertiary alcohol; triterpenoid	hypoglycemic agent; mammalian metabolite	0	0		low	0	0	0	0	0	0
enasidenib	0	1,3,5-triazines; aminopyridine; aromatic amine; organofluorine compound; secondary amino compound; tertiary alcohol	antineoplastic agent; EC 1.1.1.42 (isocitrate dehydrogenase) inhibitor	0	0		low	0	0	0	0	0	0
aurachin a	0	A-type aurachin; furoquinoline; quinoline N-oxide; tertiary alcohol	antibacterial agent; bacterial metabolite	0	0		low	0	0	0	0	0	0
cyclooctatin	0	carbotricyclic compound; diterpenoid; primary alcohol; secondary alcohol; tertiary alcohol	bacterial metabolite; EC 3.1.1.5 (lysophospholipase) inhibitor	0	0		low	0	0	0	0	0	0
grayanotoxin ii	0	tertiary alcohol		0	0		low	0	0	0	0	0	0
oxoamide	0	aromatic ketone		0	0		low	0	0	0	0	0	0
4-oxo-4-(3-pyridyl)butanoic acid	0	aromatic ketone; monocarboxylic acid; pyridines		0	0		low	0	0	0	0	0	0
bupropion	0	aromatic ketone; monochlorobenzenes; secondary amino compound	antidepressant; environmental contaminant; xenobiotic	0	0		low	0	0	0	0	0	0
bw 306u	0	aromatic ketone		0	0		low	0	0	0	0	0	0
kynurenine	0	aromatic ketone; non-proteinogenic alpha-amino acid; substituted aniline	human metabolite	0	0		low	0	0	0	0	0	0
monomethylpropion	0	aromatic ketone; secondary amino compound		0	0		low	0	0	0	0	0	0
amiodarone	0	1-benzofurans; aromatic ketone; organoiodine compound; tertiary amino compound	cardiovascular drug	0	0		low	0	0	0	0	0	0
anisindione	0	aromatic ketone; beta-diketone	anticoagulant; vitamin K antagonist	0	0		low	0	0	0	0	0	0
acetovanillone	0	acetophenones; aromatic ketone; methyl ketone	antirheumatic drug; EC 1.6.3.1. [NAD(P)H oxidase (H2O2-forming)] inhibitor; non-narcotic analgesic; non-steroidal anti-inflammatory drug; peripheral nervous system drug; plant metabolite	0	0		low	0	0	0	0	0	0
benzbromarone	0	1-benzofurans; aromatic ketone	uricosuric drug	0	0		low	0	0	0	0	0	0
bromperidol	0	aromatic ketone		0	0		low	0	0	0	0	0	0
buflomedil	0	aromatic ketone		0	0		low	0	0	0	0	0	0
celiprolol	0	aromatic ketone		0	0		low	0	0	0	0	0	0
droperidol	0	aromatic ketone; benzimidazoles; organofluorine compound	anaesthesia adjuvant; antiemetic; dopaminergic antagonist; first generation antipsychotic	0	0		low	0	0	0	0	0	0
dyclonine	0	aromatic ketone; piperidines	topical anaesthetic	0	0		low	0	0	0	0	0	0
eperisone	0	aromatic ketone; piperidines		0	0		low	0	0	0	0	0	0
eprazinone	0	aromatic ketone; ether; N-alkylpiperazine	mucolytic	0	0		low	0	0	0	0	0	0
ketanserin	0	aromatic ketone; organofluorine compound; piperidines; quinazolines	alpha-adrenergic antagonist; antihypertensive agent; cardiovascular drug; EC 3.4.21.26 (prolyl oligopeptidase) inhibitor; serotonergic antagonist	0	0		low	0	0	0	0	0	0
ketorolac	0	amino acid; aromatic ketone; monocarboxylic acid; pyrrolizines; racemate	analgesic; cyclooxygenase 1 inhibitor; cyclooxygenase 2 inhibitor; non-steroidal anti-inflammatory drug	0	0		low	0	0	0	0	0	0
lofepramine	0	aromatic ketone; dibenzoazepine; monochlorobenzenes; tertiary amino compound	antidepressant	0	0		low	0	0	0	0	0	0
mebendazole	0	aromatic ketone; benzimidazoles; carbamate ester	antinematodal drug; microtubule-destabilising agent; tubulin modulator	0	0		low	0	0	0	0	0	0
nocodazole	0	aromatic ketone; benzimidazoles; carbamate ester; thiophenes	antimitotic; antineoplastic agent; microtubule-destabilising agent; tubulin modulator	0	0		low	0	0	0	0	0	0
metyrapone	0	aromatic ketone	antimetabolite; diagnostic agent; EC 1.14.15.4 (steroid 11beta-monooxygenase) inhibitor	0	0		low	0	0	0	0	0	0
moperone	0	aromatic ketone		0	0		low	0	0	0	0	0	0
phenindione	0	aromatic ketone; beta-diketone	anticoagulant	0	0		low	0	0	0	0	0	0
pifithrin	0	aromatic ketone		0	0		low	0	0	0	0	0	0
pipamperone	0	aromatic ketone; bipiperidines; monocarboxylic acid amide; organofluorine compound; tertiary amino compound	dopaminergic antagonist; first generation antipsychotic; serotonergic antagonist	0	0		low	0	0	0	0	0	0
pirenperone	0	aromatic ketone		0	0		low	0	0	0	0	0	0
propafenone	0	aromatic ketone; secondary alcohol; secondary amino compound	anti-arrhythmia drug	0	0		low	0	0	0	0	0	0
propiomazine	0	aromatic ketone; phenothiazines; tertiary amino compound	dopaminergic antagonist; histamine antagonist; muscarinic antagonist; phenothiazine antipsychotic drug; sedative; serotonergic antagonist	0	0		low	0	0	0	0	0	0
raloxifene	0	1-benzothiophenes; aromatic ketone; N-oxyethylpiperidine; phenols	bone density conservation agent; estrogen antagonist; estrogen receptor modulator	0	0		low	0	0	0	0	0	0
spiperone	0	aromatic ketone; azaspiro compound; organofluorine compound; piperidines; tertiary amino compound	alpha-adrenergic antagonist; antipsychotic agent; dopaminergic antagonist; psychotropic drug; serotonergic antagonist	0	0		low	0	0	0	0	0	0
suprofen	0	aromatic ketone; monocarboxylic acid; thiophenes	antirheumatic drug; drug allergen; EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor; non-narcotic analgesic; non-steroidal anti-inflammatory drug; peripheral nervous system drug	0	0		low	0	0	0	0	0	0
tiaprofenic acid	0	aromatic ketone; monocarboxylic acid; thiophenes	drug allergen; non-steroidal anti-inflammatory drug	0	0		low	0	0	0	0	0	0
tolmetin	0	aromatic ketone; monocarboxylic acid; pyrroles	EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor; non-steroidal anti-inflammatory drug	0	0		low	0	0	0	0	0	0
tolperisone	0	aromatic ketone		0	0		low	0	0	0	0	0	0
trifluperidol	0	aromatic ketone		0	0		low	0	0	0	0	0	0
zomepirac	0	aromatic ketone; monocarboxylic acid; monochlorobenzenes; pyrroles	cardiovascular drug; non-steroidal anti-inflammatory drug	0	0		low	0	0	0	0	0	0
acepromazine	0	aromatic ketone; methyl ketone; phenothiazines; tertiary amino compound	phenothiazine antipsychotic drug	0	0		low	0	0	0	0	0	0
benziodarone	0	aromatic ketone		0	0		low	0	0	0	0	0	0
musk ketone	0	aromatic ketone		0	0		low	0	0	0	0	0	0
quinophthalone	0	aromatic ketone; beta-diketone; quinolines	dye	0	0		low	0	0	0	0	0	0
2-acetylthiophene	0	aromatic ketone		0	0		low	0	0	0	0	0	0
diethylpropion	0	aromatic ketone; tertiary amine	appetite depressant	0	0		low	0	0	0	0	0	0
adrenalone	0	aromatic ketone		0	0		low	0	0	0	0	0	0
dibenzoylmethane	0	aromatic ketone; beta-diketone	antimutagen; antineoplastic agent; metabolite	0	0		low	0	0	0	0	0	0
pyrazolanthrone	0	anthrapyrazole; aromatic ketone; cyclic ketone	antineoplastic agent; c-Jun N-terminal kinase inhibitor; geroprotector	0	0		low	0	0	0	0	0	0
benzil	0	alpha-diketone; aromatic ketone		0	0		low	0	0	0	0	0	0
4'-(chloroacetyl)acetanilide	0	acetamides; alpha-chloroketone; aromatic ketone		0	0		low	0	0	0	0	0	0
3-acetylpyridine	0	aromatic ketone		0	0		low	0	0	0	0	0	0
ninhydrin	0	aromatic ketone; beta-diketone; indanones; ketone hydrate	colour indicator; human metabolite	0	0		low	0	0	0	0	0	0
capillin	0	aromatic ketone; ynone		0	0		low	0	0	0	0	0	0
gallacetophenone	0	aromatic ketone		0	0		low	0	0	0	0	0	0
1-phenyl-1,2-propanedione	0	alpha-diketone; aromatic ketone	plant metabolite	0	0		low	0	0	0	0	0	0
1,3-indandione	0	aromatic ketone; beta-diketone; indanones		0	0		low	0	0	0	0	0	0
phenacylamine	0	aromatic ketone		0	0		low	0	0	0	0	0	0
2-acetylpyrrole	0	aromatic ketone; methyl ketone; pyrroles		0	0		low	0	0	0	0	0	0
2-acetylpyridine	0	aromatic ketone		0	0		low	0	0	0	0	0	0
pyrovalerone	0	aromatic ketone		0	0		low	0	0	0	0	0	0
2-acetylfuran	0	aromatic ketone; furans; methyl ketone		0	0		low	0	0	0	0	0	0
sapropterin	0	aromatic ketone		0	0		low	0	0	0	0	0	0
fluanisone	0	aromatic ketone		0	0		low	0	0	0	0	0	0
3-Acetyl-2,4-dimethylpyrrole	0	aromatic ketone		0	0		low	0	0	0	0	0	0
metylperon	0	aromatic ketone		0	0		low	0	0	0	0	0	0
azaperone	0	aminopyridine; aromatic ketone; monofluorobenzenes; N-alkylpiperazine; N-arylpiperazine; tertiary amino compound	antipsychotic agent; dopaminergic antagonist	0	0		low	0	0	0	0	0	0
Propioveratrone	0	aromatic ketone		0	0		low	0	0	0	0	0	0
benperidol	0	aromatic ketone		0	0		low	0	0	0	0	0	0
2,4-diacetylphloroglucinol	0	aromatic ketone; benzenetriol; diketone; methyl ketone	antifungal agent; bacterial metabolite	0	0		low	0	0	0	0	0	0
4-benzoylpyridine	0	aromatic ketone		0	0		low	0	0	0	0	0	0
pyoluteorin	0	aromatic ketone; beta-hydroxy ketone; diol; organochlorine compound; organochlorine pesticide; polyketide; pyrroles; resorcinols	antibacterial agent; antifungal agent; apoptosis inducer; bacterial metabolite; marine metabolite	0	0		low	0	0	0	0	0	0
flubendazole	0	aromatic ketone; benzimidazoles; carbamate ester; organofluorine compound	antinematodal drug; teratogenic agent	0	0		low	0	0	0	0	0	0
4-ipomeanol	0	aromatic ketone		0	0		low	0	0	0	0	0	0
celiprolol hydrochloride	0	aromatic ketone		0	0		low	0	0	0	0	0	0
1-(3,4-dihydroxyphenyl)-2-(1-imidazolyl)ethanone	0	aromatic ketone		0	0		low	0	0	0	0	0	0
enoximone	0	aromatic ketone		0	0		low	0	0	0	0	0	0
bupropion hydrochloride	0	aromatic ketone		0	0		low	0	0	0	0	0	0
3-oxo-3-phenylpropanenitrile	0	aromatic ketone; beta-ketonitrile		0	0		low	0	0	0	0	0	0
fenofibric acid	0	aromatic ketone; chlorobenzophenone; monocarboxylic acid	drug metabolite; marine xenobiotic metabolite	0	0		low	0	0	0	0	0	0
inaperisone	0	aromatic ketone		0	0		low	0	0	0	0	0	0
valerophenone	0	aromatic ketone	plant metabolite; volatile oil component	0	0		low	0	0	0	0	0	0
2,4,6-trihydroxyacetophenone	0	aromatic ketone; benzenetriol; methyl ketone	MALDI matrix material; plant metabolite	0	0		low	0	0	0	0	0	0
perilla ketone	0	aromatic ketone		0	0		low	0	0	0	0	0	0
butofilolol	0	aromatic ketone		0	0		low	0	0	0	0	0	0
2,6-dihydroxyacetophenone	0	aromatic ketone		0	0		low	0	0	0	0	0	0
2',4'-Dimethoxypropiophenone	0	aromatic ketone		0	0		low	0	0	0	0	0	0
propipocaine	0	aromatic ketone		0	0		low	0	0	0	0	0	0
prifelone	0	aromatic ketone		0	0		low	0	0	0	0	0	0
metamfepramone	0	aromatic ketone		0	0		low	0	0	0	0	0	0
1-(2,4-dihydroxyphenyl)-1-hexanone	0	aromatic ketone		0	0		low	0	0	0	0	0	0
1-(2,4-Dihydroxyphenyl)-1-butanone	0	aromatic ketone		0	0		low	0	0	0	0	0	0
isoxaflutole	0	(trifluoromethyl)benzenes; aromatic ketone; cyclopropanes; isoxazoles; sulfone	agrochemical; EC 1.13.11.27 (4-hydroxyphenylpyruvate dioxygenase) inhibitor; proherbicide	0	0		low	0	0	0	0	0	0
sulcotrione	0	aromatic ketone; beta-triketone; cyclohexanones; sulfone	carotenoid biosynthesis inhibitor; environmental contaminant; herbicide; xenobiotic	0	0		low	0	0	0	0	0	0
tolperisone hydrochloride	0	aromatic ketone		0	0		low	0	0	0	0	0	0
beta-(4-fluorobenzoyl)propionic acid	0	aromatic ketone		0	0		low	0	0	0	0	0	0
lobeline	0	aromatic ketone; piperidine alkaloid; tertiary amine	nicotinic acetylcholine receptor agonist	0	0		low	0	0	0	0	0	0
desethylamiodarone	0	aromatic ketone		0	0		low	0	0	0	0	0	0
ly 117018	0	1-benzothiophenes; aromatic ketone; N-alkylpyrrolidine; phenols	bone density conservation agent; estrogen receptor antagonist; estrogen receptor modulator	0	0		low	0	0	0	0	0	0
fpl 55712	0	aromatic ketone		0	0		low	0	0	0	0	0	0
(6R)-7-[4-(dimethylamino)phenyl]-N-hydroxy-4,6-dimethyl-7-oxohepta-2,4-dienamide	0	aromatic ketone		0	0		low	0	0	0	0	0	0
4-hydoxy-1-(3-pyridyl)-1-butanone	0	aromatic ketone		0	0		low	0	0	0	0	0	0
1-[4-[2-hydroxy-3-[4-[3-(trifluoromethyl)phenyl]-1-piperazinyl]propoxy]phenyl]-1-propanone	0	aromatic ketone		0	0		low	0	0	0	0	0	0
3-(1-piperidinyl)-1-(4-propan-2-yloxyphenyl)-1-propanone	0	aromatic ketone		0	0		low	0	0	0	0	0	0
3-n-methylspiperone	0	aromatic ketone		0	0		low	0	0	0	0	0	0
ly 255283	0	aromatic ketone		0	0		low	0	0	0	0	0	0
eperisone	0	aromatic ketone		0	0		low	0	0	0	0	0	0
n-(4-aminophenethyl)spiroperidol	0	aromatic ketone		0	0		low	0	0	0	0	0	0
esonarimod	0	aromatic ketone		0	0		low	0	0	0	0	0	0
oxoline	0	aromatic ketone; tetralins	geroprotector	0	0		low	0	0	0	0	0	0
n-acetyl-n-formyl-5-methoxykynurenamine	0	aromatic ketone		0	0		low	0	0	0	0	0	0
4(4-chlorophenyl)-1-(4-(4-fluorophenyl)-4-oxobutyl)-1,2,3,6-tetrahydropyridine	0	aromatic ketone		0	0		low	0	0	0	0	0	0
mesotrione	0	aromatic ketone; beta-triketone; C-nitro compound; sulfone	carotenoid biosynthesis inhibitor; EC 1.13.11.27 (4-hydroxyphenylpyruvate dioxygenase) inhibitor; environmental contaminant; herbicide; xenobiotic	0	0		low	0	0	0	0	0	0
rs 67333	0	aromatic ketone		0	0		low	0	0	0	0	0	0
alpha-pyrrolidinopropiophenone	0	aromatic ketone		0	0		low	0	0	0	0	0	0
(1-tert-butyl-5-phenyl-3-pyrrolyl)-phenylmethanone	0	aromatic ketone		0	0		low	0	0	0	0	0	0
veratrone	0	aromatic ketone; dimethoxybenzene; primary alcohol		0	0		low	0	0	0	0	0	0
7-benzoyl-3-chloroindolizine-1,2-dicarboxylic acid dimethyl ester	0	aromatic ketone		0	0		low	0	0	0	0	0	0
bromodeoxytopsentin	0	aromatic ketone; bromoindole; imidazoles; indole alkaloid	antibacterial agent; EC 2.7.1.40 (pyruvate kinase) inhibitor; marine metabolite	0	0		low	0	0	0	0	0	0
amiodarone hydrochloride	0	aromatic ketone		0	0		low	0	0	0	0	0	0
knipholone	0	aromatic ketone; dihydroxyanthraquinone; methoxybenzenes; methyl ketone; polyphenol; resorcinols	antineoplastic agent; antioxidant; antiplasmodial drug; leukotriene antagonist; metabolite	0	0		low	0	0	0	0	0	0
alpha bitter acid	0	aromatic ketone; cyclic ketone; diketone; tertiary alpha-hydroxy ketone; triol	antibacterial drug; antioxidant; cyclooxygenase 2 inhibitor; metabolite	0	0		low	0	0	0	0	0	0
2-Acetylthiazole	0	aromatic ketone		0	0		low	0	0	0	0	0	0
1-[3-acetyl-5-[(4-bromophenyl)-oxomethyl]-1,3,7-triazabicyclo[3.3.1]nonan-7-yl]ethanone	0	aromatic ketone		0	0		low	0	0	0	0	0	0
LSM-42773	0	aromatic ketone		0	0		low	0	0	0	0	0	0
1-(4-methylphenyl)-2-(1H-1,2,4-triazol-5-ylthio)ethanone	0	aromatic ketone		0	0		low	0	0	0	0	0	0
3-(4-fluoroanilino)-1-(3-nitrophenyl)-1-propanone	0	aromatic ketone		0	0		low	0	0	0	0	0	0
(5-methoxy-3-benzofuranyl)-phenylmethanone	0	aromatic ketone		0	0		low	0	0	0	0	0	0
3-Hydroxy-1-(4-hydroxyphenyl)-1-propanone	0	aromatic ketone		0	0		low	0	0	0	0	0	0
(2-amino-5-methyl-3-thiophenyl)-thiophen-2-ylmethanone	0	aromatic ketone; thiophenes		0	0		low	0	0	0	0	0	0
1-(2,5-dimethoxyphenyl)-2-[[5-(2-furanyl)-4-propyl-1,2,4-triazol-3-yl]thio]ethanone	0	aromatic ketone		0	0		low	0	0	0	0	0	0
1-(1,3-benzodioxol-5-ylmethyl)-3-hydroxy-3-[2-(4-methylphenyl)-2-oxoethyl]-2-indolone	0	aromatic ketone		0	0		low	0	0	0	0	0	0
2-[(5-amino-1-phenacyl-1,2,4-triazol-3-yl)thio]-N-(3-cyano-4,5-dimethyl-2-thiophenyl)acetamide	0	aromatic ketone		0	0		low	0	0	0	0	0	0
2-[[1-(2-methoxyethyl)-5-tetrazolyl]thio]-1-phenylethanone	0	aromatic ketone		0	0		low	0	0	0	0	0	0
1-(4-methoxyphenyl)-2-(5-thiophen-2-yl-2-tetrazolyl)ethanone	0	aromatic ketone		0	0		low	0	0	0	0	0	0
1-(3-methoxyphenyl)-2-[[4-methyl-5-[[(4-phenyl-2-thiazolyl)amino]methyl]-1,2,4-triazol-3-yl]thio]ethanone	0	aromatic ketone		0	0		low	0	0	0	0	0	0
1-(5-chloro-2-methoxyphenyl)-2-[(4,6-diamino-2-pyrimidinyl)thio]ethanone	0	aromatic ketone		0	0		low	0	0	0	0	0	0
2-[(5-methyl-1H-1,2,4-triazol-3-yl)thio]-1-phenylethanone	0	aromatic ketone		0	0		low	0	0	0	0	0	0
1-(4-chlorophenyl)-2-[[4-ethyl-5-(2-methyl-3-furanyl)-1,2,4-triazol-3-yl]thio]ethanone	0	aromatic ketone		0	0		low	0	0	0	0	0	0
1-(3,4-dichlorophenyl)-2-[[4-(2-furanylmethyl)-5-(3-pyridinyl)-1,2,4-triazol-3-yl]thio]ethanone	0	aromatic ketone		0	0		low	0	0	0	0	0	0
(4-chloro-5-hydroxy-3-benzofuranyl)-phenylmethanone	0	aromatic ketone		0	0		low	0	0	0	0	0	0
3-(3-benzoyl-6-chloro-4,5-dihydroxy-7-benzofuranyl)pentane-2,4-dione	0	aromatic ketone		0	0		low	0	0	0	0	0	0
1-(3,4-dihydroxyphenyl)-2-[[5-(2-methoxyphenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]thio]ethanone	0	aromatic ketone		0	0		low	0	0	0	0	0	0
1-(4-fluorophenyl)-2-[[4-(2-furanylmethyl)-5-(phenoxymethyl)-1,2,4-triazol-3-yl]thio]ethanone	0	aromatic ketone		0	0		low	0	0	0	0	0	0
N-(4-acetylphenyl)-2-thiophen-2-ylacetamide	0	aromatic ketone		0	0		low	0	0	0	0	0	0
4-thiomorpholinecarbodithioic acid [2-(4-chlorophenyl)-2-oxoethyl] ester	0	aromatic ketone		0	0		low	0	0	0	0	0	0
1-[4-[(2-methyl-4-quinolinyl)amino]phenyl]ethanone	0	aromatic ketone		0	0		low	0	0	0	0	0	0
1-(3,4-dihydroxyphenyl)-2-[(4,6-dimethyl-2-pyrimidinyl)thio]ethanone	0	aromatic ketone		0	0		low	0	0	0	0	0	0
1-(4-Chlorophenyl)-2-[(1-methyl-1H-imidazol-2-yl)thio]ethan-1-one	0	aromatic ketone		0	0		low	0	0	0	0	0	0
4-(4-ethoxyphenyl)-4-oxobutanoic acid	0	aromatic ketone		0	0		low	0	0	0	0	0	0
4-bromo-N-phenacylbenzamide	0	aromatic ketone		0	0		low	0	0	0	0	0	0
N1-[2-(4-chlorophenyl)-2-oxoethyl]-4-chlorobenzamide	0	aromatic ketone		0	0		low	0	0	0	0	0	0
1-[4-[(4,6-dimethyl-2-pyrimidinyl)amino]phenyl]ethanone	0	aromatic ketone		0	0		low	0	0	0	0	0	0
4-amino-2-(phenacylthio)-5-pyrimidinecarboxylic acid ethyl ester	0	aromatic ketone		0	0		low	0	0	0	0	0	0
(3-hydroxy-5,6,7,8-tetrahydro-4H-cyclohepta[d]imidazol-2-yl)-phenylmethanone	0	aromatic ketone		0	0		low	0	0	0	0	0	0
2-fluoro-N-phenacylbenzamide	0	aromatic ketone		0	0		low	0	0	0	0	0	0
2-(Benzotriazol-1-yl)-1-(4-bromophenyl)ethanone	0	aromatic ketone	anticoronaviral agent	0	0		low	0	0	0	0	0	0
2-(4-methylanilino)-1-(4-nitrophenyl)ethanone	0	aromatic ketone		0	0		low	0	0	0	0	0	0
1-(3-((2',4'-Dimethyl-[4,5'-bithiazol]-2-yl)amino)phenyl)ethanone	0	aromatic ketone		0	0		low	0	0	0	0	0	0
1-[4-(1-azepanyl)-3-fluorophenyl]-1-propanone	0	aromatic ketone		0	0		low	0	0	0	0	0	0
2-(8-quinolinylthio)acetic acid phenacyl ester	0	aromatic ketone		0	0		low	0	0	0	0	0	0
2-(4-ethoxyanilino)-1-(4-methylphenyl)ethanone	0	aromatic ketone		0	0		low	0	0	0	0	0	0
1-[4-[[6-methyl-2-(methylthio)-5-prop-2-enyl-4-pyrimidinyl]amino]phenyl]ethanone	0	aromatic ketone		0	0		low	0	0	0	0	0	0
(4-methoxyphenyl)-(3-methyl-2-propyl-4-imidazolyl)methanone	0	aromatic ketone		0	0		low	0	0	0	0	0	0
5-[(5-acetyl-2-propan-2-yloxyphenyl)methyl]-6-hydroxy-2-sulfanylidene-1H-pyrimidin-4-one	0	aromatic ketone		0	0		low	0	0	0	0	0	0
N-(5-benzoyl-4-phenyl-2-thiazolyl)carbamic acid methyl ester	0	aromatic ketone		0	0		low	0	0	0	0	0	0
2-chloro-N-[5-ethyl-3-[(4-methylphenyl)-oxomethyl]-2-thiophenyl]acetamide	0	aromatic ketone		0	0		low	0	0	0	0	0	0
1-(4-fluorophenyl)-2-(2-pyridinylthio)ethanone	0	aromatic ketone		0	0		low	0	0	0	0	0	0
N-(3-acetylphenyl)-2-thiophen-2-ylacetamide	0	aromatic ketone		0	0		low	0	0	0	0	0	0
3-(4-bromoanilino)-1-(3-nitrophenyl)-1-propanone	0	aromatic ketone		0	0		low	0	0	0	0	0	0
3-anilino-1-(3-nitrophenyl)-1-propanone	0	aromatic ketone		0	0		low	0	0	0	0	0	0
1-(5-ethyl-2,4-dihydroxyphenyl)-2-(2-fluorophenoxy)ethanone	0	aromatic ketone		0	0		low	0	0	0	0	0	0
3-[1-(4-acetylphenyl)-5-thiophen-2-yl-2-pyrrolyl]propanoic acid	0	aromatic ketone		0	0		low	0	0	0	0	0	0
(7-methoxy-2-benzofuranyl)-(4-nitrophenyl)methanone	0	aromatic ketone		0	0		low	0	0	0	0	0	0
4-[2-(3-methoxyphenyl)-2-oxoethoxy]benzoic acid methyl ester	0	aromatic ketone		0	0		low	0	0	0	0	0	0
4-phenacyloxybenzoic acid methyl ester	0	aromatic ketone		0	0		low	0	0	0	0	0	0
1-(2-hydroxyphenyl)-2-(2H-tetrazol-5-yl)ethanone	0	aromatic ketone		0	0		low	0	0	0	0	0	0
2-(methylamino)benzoic acid [2-(4-fluorophenyl)-2-oxoethyl] ester	0	aromatic ketone		0	0		low	0	0	0	0	0	0
2-[(4-methyl-2-pyrimidinyl)thio]-1-(3-nitrophenyl)ethanone	0	aromatic ketone		0	0		low	0	0	0	0	0	0
3-[[(3-acetylanilino)-oxomethyl]amino]-2-thiophenecarboxylic acid methyl ester	0	aromatic ketone		0	0		low	0	0	0	0	0	0
1-(3-acetylphenyl)-3-(2-pyridinylmethyl)urea	0	aromatic ketone		0	0		low	0	0	0	0	0	0
1-(4-acetylphenyl)-3-[2-(4-fluorophenyl)ethyl]thiourea	0	aromatic ketone		0	0		low	0	0	0	0	0	0
1-phenyl-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylthio)ethanone	0	aromatic ketone		0	0		low	0	0	0	0	0	0
3-tert-butyl-7-[[2-(4-methylphenyl)-2-oxoethyl]thio]-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-4-one	0	aromatic ketone		0	0		low	0	0	0	0	0	0
LSM-4563	0	aromatic ketone		0	0		low	0	0	0	0	0	0
1-[4-[3-[5-(2-furanyl)-1H-pyrazol-3-yl]-5-sulfanylidene-1H-1,2,4-triazol-4-yl]phenyl]ethanone	0	aromatic ketone		0	0		low	0	0	0	0	0	0
1,3-diphenyl-4-pyrazolecarboxylic acid [2-(4-methyl-3-nitrophenyl)-2-oxoethyl] ester	0	aromatic ketone		0	0		low	0	0	0	0	0	0
Silica aerogel	0	aromatic ketone		0	0		low	0	0	0	0	0	0
2-[[5-(1-benzotriazolylmethyl)-4-methyl-1,2,4-triazol-3-yl]thio]-1-(2-fluorophenyl)ethanone	0	aromatic ketone		0	0		low	0	0	0	0	0	0
N-(4-acetylphenyl)-2-[[1-(3,5-dimethoxyphenyl)-5-tetrazolyl]thio]acetamide	0	aromatic ketone		0	0		low	0	0	0	0	0	0
3,4-dimethoxybenzoic acid [2-(3,4-dimethoxyphenyl)-2-oxoethyl] ester	0	aromatic ketone		0	0		low	0	0	0	0	0	0
2-[2-[2-(4-chlorophenyl)-2-oxoethoxy]phenyl]isoindole-1,3-dione	0	aromatic ketone		0	0		low	0	0	0	0	0	0
2-[[5-(7-methoxy-2-benzofuranyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]thio]-1-(4-methoxyphenyl)ethanone	0	aromatic ketone		0	0		low	0	0	0	0	0	0
2-[[4,6-bis(1-piperidinyl)-1,3,5-triazin-2-yl]thio]-1-phenylethanone	0	aromatic ketone		0	0		low	0	0	0	0	0	0
1-(2,5-dimethylphenyl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)thio]ethanone	0	aromatic ketone		0	0		low	0	0	0	0	0	0
3-methyl-1,5-dithiophen-2-ylpentane-1,5-dione	0	aromatic ketone		0	0		low	0	0	0	0	0	0
1-(3,4-dihydroxyphenyl)-2-[[5-(4-methylphenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]thio]ethanone	0	aromatic ketone		0	0		low	0	0	0	0	0	0
2-[[5-(3-chlorophenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]thio]-1-(3,4-dihydroxyphenyl)ethanone	0	aromatic ketone		0	0		low	0	0	0	0	0	0
1-(3,4-dihydroxyphenyl)-2-[[5-(3-methylphenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]thio]ethanone	0	aromatic ketone		0	0		low	0	0	0	0	0	0
1-(3,4-dihydroxyphenyl)-2-[[5-(4-methoxyphenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]thio]ethanone	0	aromatic ketone		0	0		low	0	0	0	0	0	0
1-(3,4-dihydroxyphenyl)-2-[[5-(3-methoxyphenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]thio]ethanone	0	aromatic ketone		0	0		low	0	0	0	0	0	0
(4-chlorophenyl)-(5-hydroxy-2-methyl-4,6-dinitro-3-benzofuranyl)methanone	0	aromatic ketone		0	0		low	0	0	0	0	0	0
1-(3,4-dimethylphenyl)-2-[[5-[[2-(4-ethoxyanilino)-4-thiazolyl]methyl]-1,3,4-oxadiazol-2-yl]thio]ethanone	0	aromatic ketone		0	0		low	0	0	0	0	0	0
1-(4-fluorophenyl)-2-[(2-propyl-4-quinazolinyl)thio]ethanone	0	aromatic ketone		0	0		low	0	0	0	0	0	0
(5-chloro-2-hydroxyphenyl)-[2-ethyl-3-(4-fluorophenyl)-6-pyrazolo[1,5-a]pyrimidinyl]methanone	0	aromatic ketone		0	0		low	0	0	0	0	0	0
N,N-dimethylcarbamothioic acid O-[4-[2-[(4-chlorophenyl)thio]-1-oxoethyl]-2,6-dimethylphenyl] ester	0	aromatic ketone		0	0		low	0	0	0	0	0	0
4-[(4-tert-butylphenyl)-oxomethyl]-N-[2-(2-pyridinyl)ethyl]-1H-pyrrole-2-carboxamide	0	aromatic ketone		0	0		low	0	0	0	0	0	0
(4-chlorophenyl)-[5-(4-morpholinyl)-4-(2-pyridinyl)-2-thiophenyl]methanone	0	aromatic ketone		0	0		low	0	0	0	0	0	0
N,N-dimethylcarbamic acid [4-[2-(benzenesulfonyl)-1-oxoethyl]-2,6-dimethylphenyl] ester	0	aromatic ketone		0	0		low	0	0	0	0	0	0
N,N-dimethylcarbamic acid [4-[2-(4-fluorophenyl)sulfonyl-1-oxoethyl]-2,6-dimethylphenyl] ester	0	aromatic ketone		0	0		low	0	0	0	0	0	0
2-chloro-1-[1-(2-furanylmethyl)-2,5-dimethyl-3-pyrrolyl]ethanone	0	aromatic ketone		0	0		low	0	0	0	0	0	0
N-[(phenacylamino)-sulfanylidenemethyl]-2-furancarboxamide	0	aromatic ketone		0	0		low	0	0	0	0	0	0
3-phenylpropionylglycine	0	aromatic ketone		0	0		low	0	0	0	0	0	0
4-amino-5-[(4-methylphenyl)-oxomethyl]-2-(prop-2-enylamino)-3-thiophenecarbonitrile	0	aromatic ketone		0	0		low	0	0	0	0	0	0
2-amino-4-[[2-(4-bromophenyl)-2-oxoethyl]thio]-3-azaspiro[5.5]undeca-1,4-diene-1,5-dicarbonitrile	0	aromatic ketone		0	0		low	0	0	0	0	0	0
2-[[4-ethyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]thio]-1-(4-methylphenyl)ethanone	0	aromatic ketone		0	0		low	0	0	0	0	0	0
7-amino-9-(phenacylthio)-8-azaspiro[4.5]deca-6,9-diene-6,10-dicarbonitrile	0	aromatic ketone		0	0		low	0	0	0	0	0	0
6-(bromomethyl)-1,3-dimethyl-5-[(4-nitrophenyl)-oxomethyl]pyrimidine-2,4-dione	0	aromatic ketone		0	0		low	0	0	0	0	0	0
1-(2,4-dimethylphenyl)-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylthio)ethanone	0	aromatic ketone		0	0		low	0	0	0	0	0	0
4-(4-acetylphenoxy)butanoic acid [5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl ester	0	aromatic ketone		0	0		low	0	0	0	0	0	0
2-[[5-[(1,3-benzothiazol-2-ylthio)methyl]-4-ethyl-1,2,4-triazol-3-yl]thio]-1-(3,4-dihydroxyphenyl)ethanone	0	aromatic ketone		0	0		low	0	0	0	0	0	0
2-chloro-1-[2,5-dimethyl-1-(5-methyl-3-isoxazolyl)-3-pyrrolyl]ethanone	0	aromatic ketone		0	0		low	0	0	0	0	0	0
2-[2-[[5-cyano-1-(3-methoxypropyl)-6-oxo-3-pyridinyl]-oxomethyl]-4-methoxyphenoxy]-N-(5-methyl-3-isoxazolyl)acetamide	0	aromatic ketone		0	0		low	0	0	0	0	0	0
1-[2-[2,5-dimethyl-1-(phenylmethyl)-3-pyrrolyl]-2-oxoethyl]pyrrolidine-2,5-dione	0	aromatic ketone		0	0		low	0	0	0	0	0	0
3,5-dimethyl-4-isoxazolecarboxylic acid [2-(4-amino-1-methyl-2,6-dioxo-3-propyl-5-pyrimidinyl)-2-oxoethyl] ester	0	aromatic ketone		0	0		low	0	0	0	0	0	0
2-[3-[(4-chlorophenyl)-oxomethyl]-6-methoxy-4-oxo-1-quinolinyl]-N-(4-fluorophenyl)acetamide	0	aromatic ketone; quinolines		0	0		low	0	0	0	0	0	0
1-[4-[(2-amino-5-thiazolyl)methyl]phenyl]ethanone	0	aromatic ketone		0	0		low	0	0	0	0	0	0
[9-(4-ethoxyphenyl)sulfonyl-2,3-dihydro-[1,4]dioxino[2,3-g]quinolin-8-yl]-(4-methylphenyl)methanone	0	aromatic ketone; quinolines		0	0		low	0	0	0	0	0	0
4-chloro-N-[(phenacylamino)-sulfanylidenemethyl]benzamide	0	aromatic ketone		0	0		low	0	0	0	0	0	0
N-[(phenacylamino)-sulfanylidenemethyl]cyclohexanecarboxamide	0	aromatic ketone		0	0		low	0	0	0	0	0	0
4-(4-chlorophenyl)-4-oxobutanoic acid [2-(2-furanylmethylamino)-2-oxoethyl] ester	0	aromatic ketone		0	0		low	0	0	0	0	0	0
1-(2-chlorophenyl)-2-(3,5-dimethyl-4-nitro-1-pyrazolyl)ethanone	0	aromatic ketone		0	0		low	0	0	0	0	0	0
[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-[4-(1-piperidinylsulfonyl)phenyl]methanone	0	aromatic ketone		0	0		low	0	0	0	0	0	0
4-(dimethylamino)benzoic acid [2-(2-methoxyphenyl)-2-oxoethyl] ester	0	aromatic ketone		0	0		low	0	0	0	0	0	0
2-chloro-3-pyridinecarboxylic acid [2-(4-fluorophenyl)-2-oxoethyl] ester	0	aromatic ketone		0	0		low	0	0	0	0	0	0
3-(1,3-benzothiazol-2-yl)propanoic acid phenacyl ester	0	aromatic ketone		0	0		low	0	0	0	0	0	0
5-[(2-hydroxy-5-methylphenyl)-oxomethyl]-N,1-bis[2-(4-methoxyphenyl)ethyl]-2-oxo-3-pyridinecarboxamide	0	aromatic ketone		0	0		low	0	0	0	0	0	0
2-[(1-oxido-2-pyridin-1-iumyl)thio]-1-(4-phenylphenyl)ethanone	0	aromatic ketone		0	0		low	0	0	0	0	0	0
2-(1H-benzimidazol-2-yl)-1-(3-nitrophenyl)ethanone	0	aromatic ketone		0	0		low	0	0	0	0	0	0
2-[[2-oxo-2-[3-(trifluoromethyl)phenyl]ethyl]thio]-3-pyridinecarboxylic acid	0	aromatic ketone		0	0		low	0	0	0	0	0	0
2-[[5-(2-furanyl)-1,3,4-oxadiazol-2-yl]thio]-1-(2-methoxyphenyl)ethanone	0	aromatic ketone		0	0		low	0	0	0	0	0	0
2-chloro-1-[1-[2-(4-chlorophenyl)ethyl]-2,5-dimethyl-3-pyrrolyl]ethanone	0	aromatic ketone		0	0		low	0	0	0	0	0	0
2-chloro-3-pyridinecarboxylic acid [2-(4-ethylphenyl)-2-oxoethyl] ester	0	aromatic ketone		0	0		low	0	0	0	0	0	0
3-(4-acetylphenyl)-1-(phenylmethyl)-1-propylthiourea	0	aromatic ketone		0	0		low	0	0	0	0	0	0
2-anilinobenzoic acid [2-(4-acetylanilino)-2-oxoethyl] ester	0	aromatic ketone		0	0		low	0	0	0	0	0	0
N-(2-acetylphenyl)-2-(2-oxo-1-quinoxalinyl)acetamide	0	aromatic ketone		0	0		low	0	0	0	0	0	0
2-[[5-(5-bromo-2-furanyl)-4-(phenylmethyl)-1,2,4-triazol-3-yl]thio]-1-(2-fluorophenyl)ethanone	0	aromatic ketone		0	0		low	0	0	0	0	0	0
4,5-dichloro-2-[2-[2,5-dimethyl-1-(2,2,2-trifluoroethyl)-3-pyrrolyl]-2-oxoethyl]-3-pyridazinone	0	aromatic ketone		0	0		low	0	0	0	0	0	0
7-[(4-acetylphenoxy)methyl]-5-thiazolo[3,2-a]pyrimidinone	0	aromatic ketone		0	0		low	0	0	0	0	0	0
(3-amino-4,6-dimethyl-2-thieno[2,3-b]pyridinyl)-(2-chlorophenyl)methanone	0	aromatic ketone		0	0		low	0	0	0	0	0	0
1-[4-[(2-bromophenyl)-oxomethyl]-1H-pyrrol-2-yl]-2,2,2-trichloroethanone	0	aromatic ketone		0	0		low	0	0	0	0	0	0
2-(4-hydroxy-1,3-thiazol-2-yl)-1-phenylethan-1-one	0	aromatic ketone		0	0		low	0	0	0	0	0	0
N-[1-(4-methyl-6-oxo-1-pyrimidinyl)-2-oxo-2-phenylethyl]benzamide	0	aromatic ketone		0	0		low	0	0	0	0	0	0
N-[5-ethyl-3-[(4-methoxyphenyl)-oxomethyl]-2-thiophenyl]-2-(4-methyl-1-piperazinyl)acetamide	0	aromatic ketone		0	0		low	0	0	0	0	0	0
4-[[5-ethyl-3-[(4-methoxyphenyl)-oxomethyl]-2-thiophenyl]amino]-4-oxobutanoic acid	0	aromatic ketone		0	0		low	0	0	0	0	0	0
(2-anilino-4-methyl-1,3-thiazol-5-yl)(4-methoxyphenyl)methanone	0	aromatic ketone		0	0		low	0	0	0	0	0	0
(4-chlorophenyl)-[6,7-dichloro-4-[(dimethylamino)methyl]-5-hydroxy-2-methyl-3-benzofuranyl]methanone	0	aromatic ketone		0	0		low	0	0	0	0	0	0
cid 2858522	0	aromatic ketone		0	0		low	0	0	0	0	0	0
1-(3-nitrophenyl)-2-(1H-1,2,4-triazol-5-ylthio)ethanone	0	aromatic ketone		0	0		low	0	0	0	0	0	0
2-[(5-ethyl-[1,2,4]triazino[5,6-b]indol-3-yl)thio]-1-phenylethanone	0	aromatic ketone		0	0		low	0	0	0	0	0	0
(3-amino-5-nitro-2-benzofuranyl)-phenylmethanone	0	aromatic ketone		0	0		low	0	0	0	0	0	0
2-nitrobenzoic acid [1-(4-methylphenyl)-1-oxopropan-2-yl] ester	0	aromatic ketone		0	0		low	0	0	0	0	0	0
3-hydroxy-3-[2-oxo-2-[4-(1-pyrrolyl)phenyl]ethyl]-1H-indol-2-one	0	aromatic ketone		0	0		low	0	0	0	0	0	0
1-[4-[3-[4-(4-fluorophenyl)-1-piperazinyl]-2-hydroxypropoxy]phenyl]-1-propanone	0	aromatic ketone		0	0		low	0	0	0	0	0	0
1-[4-[4-[[6-bromo-2-(3-pyridinyl)-4-quinolinyl]-oxomethyl]-1-piperazinyl]phenyl]ethanone	0	aromatic ketone		0	0		low	0	0	0	0	0	0
N-[4-[(3-acetylphenyl)sulfamoyl]phenyl]-1-piperidinecarboxamide	0	aromatic ketone		0	0		low	0	0	0	0	0	0
(2,5-dimethylphenyl)-(6-methyl-5-imidazo[2,1-b]thiazolyl)methanone	0	aromatic ketone		0	0		low	0	0	0	0	0	0
3-hydroxy-1-adamantanecarboxylic acid [2-[1-(2-methoxyethyl)-2,5-dimethyl-3-pyrrolyl]-2-oxoethyl] ester	0	aromatic ketone		0	0		low	0	0	0	0	0	0
[2-[(2,6-dimethyl-4-morpholinyl)-oxomethyl]phenyl]-(1H-imidazol-2-yl)methanone	0	aromatic ketone		0	0		low	0	0	0	0	0	0
3-(2-furanyl)-3-oxo-2-(2-pyridinyl)propanenitrile	0	aromatic ketone		0	0		low	0	0	0	0	0	0
1-[4-ethoxy-3-[[[4-(2-oxolanylmethyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]thio]methyl]phenyl]ethanone	0	aromatic ketone		0	0		low	0	0	0	0	0	0
timiperone	0	aromatic ketone		0	0		low	0	0	0	0	0	0
phenyl-(2-thiophen-2-yl-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazin-5-yl)methanone	0	aromatic ketone		0	0		low	0	0	0	0	0	0
N-[3-[(4-chlorophenyl)-oxomethyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-3-pyridinecarboxamide	0	aromatic ketone		0	0		low	0	0	0	0	0	0
1-(3,4-dihydroxyphenyl)-2-[(4-methyl-1,2,4-triazol-3-yl)thio]ethanone	0	aromatic ketone		0	0		low	0	0	0	0	0	0
2-quinolinecarboxylic acid (1-oxo-1-phenylpropan-2-yl) ester	0	aromatic ketone		0	0		low	0	0	0	0	0	0
N-(3-acetylphenyl)-3-(1-ethyl-3-methyl-4-pyrazolyl)-4,5-dihydroisoxazole-5-carboxamide	0	aromatic ketone		0	0		low	0	0	0	0	0	0
1-[4-[4-[[1-(4-chlorophenyl)sulfonylcyclopropyl]-oxomethyl]-1-piperazinyl]phenyl]ethanone	0	aromatic ketone		0	0		low	0	0	0	0	0	0
1-[2-(4-bromophenyl)-2-oxoethyl]-3-(2-furanylmethyl)-6,7-dimethoxyquinazoline-2,4-dione	0	aromatic ketone		0	0		low	0	0	0	0	0	0
N-(3-acetylphenyl)-3,5-dimethyl-4-isoxazolesulfonamide	0	aromatic ketone		0	0		low	0	0	0	0	0	0
3-[4-[2-(3,4-dimethoxyphenyl)-2-oxoethyl]-3-oxo-[1,2,4]triazino[2,3-a]benzimidazol-2-yl]propanoic acid	0	aromatic ketone		0	0		low	0	0	0	0	0	0
3-[(3-fluorophenyl)methyl]-8-[4-(4-fluorophenyl)-4-oxobutyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one	0	aromatic ketone		0	0		low	0	0	0	0	0	0
4-[(4-acetyl-2-methoxyphenyl)methoxy]-3-methoxybenzoic acid [1-(carbamoylamino)-1-oxopropan-2-yl] ester	0	aromatic ketone		0	0		low	0	0	0	0	0	0
N-(2-chloro-3-pyridinyl)-3-oxo-3-phenylpropanamide	0	aromatic ketone		0	0		low	0	0	0	0	0	0
5-[2-(4-bromophenyl)-2-oxoethyl]-1,3-diphenyl-2-sulfanylidene-4-imidazolidinone	0	aromatic ketone		0	0		low	0	0	0	0	0	0
2-(thiophen-2-ylsulfonylamino)benzoic acid [2-(3-acetylanilino)-2-oxo-1-phenylethyl] ester	0	aromatic ketone		0	0		low	0	0	0	0	0	0
4-(4-chlorophenyl)-N-[3-[(4-methoxyphenyl)sulfamoyl]phenyl]-4-oxobutanamide	0	aromatic ketone		0	0		low	0	0	0	0	0	0
2-[4-[oxo(thiophen-2-yl)methyl]phenyl]propanoic acid methyl ester	0	aromatic ketone		0	0		low	0	0	0	0	0	0
N-[3-[(3-chlorophenyl)sulfamoyl]-4-methylphenyl]-3-(4-nitrophenyl)-3-oxopropanamide	0	aromatic ketone		0	0		low	0	0	0	0	0	0
rs 102221	0	aromatic ketone		0	0		low	0	0	0	0	0	0
N-[2-[[2-(4-chlorophenyl)-2-oxoethyl]thio]-4-oxo-3-quinazolinyl]benzamide	0	aromatic ketone		0	0		low	0	0	0	0	0	0
3-methyl-2-methylene-1,5-diphenylpentane-1,5-dione	0	aromatic ketone		0	0		low	0	0	0	0	0	0
2-[1-(2-methylphenyl)-3-oxo-3-thiophen-2-ylpropyl]propanedinitrile	0	aromatic ketone		0	0		low	0	0	0	0	0	0
(4-chlorophenyl)-(7-methyl-3-imidazo[1,2-a]pyridinyl)methanone	0	aromatic ketone		0	0		low	0	0	0	0	0	0
2-[(4-hydroxy-3-nitrophenyl)sulfonylamino]benzoic acid [2-(4-methoxyphenyl)-2-oxoethyl] ester	0	aromatic ketone		0	0		low	0	0	0	0	0	0
4-benzoyl-2-heptyl-5-methyl-4H-pyrazol-3-one	0	aromatic ketone		0	0		low	0	0	0	0	0	0
(4-benzoyl-1-methyl-3-pyrrolidinyl)-phenylmethanone	0	aromatic ketone		0	0		low	0	0	0	0	0	0
6-benzoyl-2-phenyl-5-(trifluoromethyl)-3-pyridazinone	0	aromatic ketone		0	0		low	0	0	0	0	0	0
LY-310762	0	aromatic ketone; monofluorobenzenes; oxindoles; piperidines; tertiary amino compound	receptor modulator; serotonergic antagonist	0	0		low	0	0	0	0	0	0
1-(4-methylphenyl)-2-[(1-phenyl-2-imidazolyl)thio]ethanone	0	aromatic ketone		0	0		low	0	0	0	0	0	0
gr 103691	0	aromatic ketone		0	0		low	0	0	0	0	0	0
4-(1,3-dioxo-2-benzo[de]isoquinolinyl)butanoic acid [2-(2-acetylanilino)-2-oxoethyl] ester	0	aromatic ketone		0	0		low	0	0	0	0	0	0
2-chloro-N-(2,6-dimethylphenyl)-3-oxo-3-phenylpropanamide	0	aromatic ketone		0	0		low	0	0	0	0	0	0
1-(4-chlorophenyl)-2-[[3-(3-methylphenyl)-1,2,4-thiadiazol-5-yl]thio]ethanone	0	aromatic ketone		0	0		low	0	0	0	0	0	0
N-(3-acetylphenyl)-2-[[6-chloro-3-(2-hydroxypropyl)-4-methyl-2-oxo-1-benzopyran-7-yl]oxy]acetamide	0	aromatic ketone		0	0		low	0	0	0	0	0	0
4-[4-(4-acetylphenyl)-1-piperazinyl]-N-[3-(dimethylamino)propyl]-3-nitrobenzenesulfonamide	0	aromatic ketone		0	0		low	0	0	0	0	0	0
2-chloro-1-[1-(3-isoxazolyl)-2,5-dimethyl-3-pyrrolyl]ethanone	0	aromatic ketone		0	0		low	0	0	0	0	0	0
5-[(5-bromo-2-hydroxyphenyl)-oxomethyl]-1-cyclohexyl-2-oxo-3-pyridinecarbonitrile	0	aromatic ketone		0	0		low	0	0	0	0	0	0
2-[(5-ethyl-2-thiophenyl)-oxomethyl]benzoic acid	0	aromatic ketone		0	0		low	0	0	0	0	0	0
3-[4-(4-morpholinylsulfonyl)phenyl]propanoic acid [2-(4-acetylanilino)-2-oxoethyl] ester	0	aromatic ketone		0	0		low	0	0	0	0	0	0
rottlerin	0	aromatic ketone; benzenetriol; chromenol; enone; methyl ketone	anti-allergic agent; antihypertensive agent; antineoplastic agent; apoptosis inducer; K-ATP channel agonist; metabolite	0	0		low	0	0	0	0	0	0
isoegomaketone	0	aromatic ketone		0	0		low	0	0	0	0	0	0
palbociclib	0	aminopyridine; aromatic ketone; cyclopentanes; piperidines; pyridopyrimidine; secondary amino compound; tertiary amino compound	antineoplastic agent; EC 2.7.11.22 (cyclin-dependent kinase) inhibitor	0	0		low	0	0	0	0	0	0
radicinin	0	aromatic ketone		0	0		low	0	0	0	0	0	0
oxyfedrine	0	aromatic ketone		0	0		low	0	0	0	0	0	0
3-(dimethylamino)-1-(5-methyl-3-phenyl-4-isoxazolyl)-2-propen-1-one	0	aromatic ketone		0	0		low	0	0	0	0	0	0
2-[[5,6-bis(2-furanyl)-1,2,4-triazin-3-yl]thio]-1-(4-methoxyphenyl)ethanone	0	aromatic ketone		0	0		low	0	0	0	0	0	0
buflomedil hydrochloride	0	aromatic ketone		0	0		low	0	0	0	0	0	0
ciproxifan	0	aromatic ketone		0	0		low	0	0	0	0	0	0
4'-methyl-alpha-pyrrolidinopropiophenone	0	aromatic ketone		0	0		low	0	0	0	0	0	0
l-165041	0	aromatic ketone		0	0		low	0	0	0	0	0	0
N-(4-acetylphenyl)-2-[[3-(2-pyridinyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]thio]acetamide	0	aromatic ketone		0	0		low	0	0	0	0	0	0
N-[4-[[4-(4-acetylphenyl)-1-piperazinyl]sulfonyl]phenyl]acetamide	0	aromatic ketone		0	0		low	0	0	0	0	0	0
6-[[4-(4-acetylphenyl)-1-piperazinyl]sulfonyl]-3,4-dihydro-1H-quinolin-2-one	0	aromatic ketone		0	0		low	0	0	0	0	0	0
2-(2-benzoyl-1-pyrrolyl)-N-methyl-N-(phenylmethyl)acetamide	0	aromatic ketone		0	0		low	0	0	0	0	0	0
ic 86621	0	aromatic ketone		0	0		low	0	0	0	0	0	0
scio-469	0	aromatic amide; aromatic ketone; chloroindole; dicarboxylic acid diamide; indolecarboxamide; monofluorobenzenes; N-acylpiperazine; N-alkylpiperazine	antineoplastic agent; apoptosis inducer; EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor	0	0		low	0	0	0	0	0	0
am 694	0	aromatic ketone; indoles; organofluorine compound; organoiodine compound; synthetic cannabinoid	cannabinoid receptor agonist	0	0		low	0	0	0	0	0	0
e 5555	0	aromatic ketone		0	0		low	0	0	0	0	0	0
cytosporone b	0	aromatic ketone		0	0		low	0	0	0	0	0	0
benzobicyclon	0	aromatic ketone; carbobicyclic compound; cyclic ketone; monochlorobenzenes; organic sulfide; sulfone		0	0		low	0	0	0	0	0	0
tembotrione	0	aromatic ketone; beta-triketone; cyclic ketone; ether; monochlorobenzenes; organofluorine compound; sulfone	agrochemical; carotenoid biosynthesis inhibitor; EC 1.13.11.27 (4-hydroxyphenylpyruvate dioxygenase) inhibitor; herbicide	0	0		low	0	0	0	0	0	0
y134 compound	0	aromatic ketone		0	0		low	0	0	0	0	0	0
N-[2-(3,4-dimethoxyphenyl)ethyl]-4-(4-ethoxyphenyl)-2,4-dioxobutanamide	0	aromatic ketone		0	0		low	0	0	0	0	0	0
[9-(benzenesulfonyl)-2,3-dihydro-[1,4]dioxino[2,3-g]quinolin-8-yl]-(4-methylphenyl)methanone	0	aromatic ketone; quinolines		0	0		low	0	0	0	0	0	0
alpha(-(cyclopropylcarbonyl)-2-(methyvlsulfonyl)-beta-oxo-4-(trifluromethyl)benzenepropanenitrile)	0	(trifluoromethyl)benzenes; aromatic ketone; beta-diketone; cyclopropanes; nitrile; sulfone	agrochemical; EC 1.13.11.27 (4-hydroxyphenylpyruvate dioxygenase) inhibitor; herbicide	0	0		low	0	0	0	0	0	0
acetic acid [4-[[(3aS,4R,9aS,9bR)-2-(2-naphthalenyl)-1,3-dioxo-3a,4,9a,9b-tetrahydropyrrolo[1,2]pyrrolo[3,5-b]pyridazin-4-yl]-oxomethyl]phenyl] ester	0	aromatic ketone		0	0		low	0	0	0	0	0	0
(3R,3aR,7aR)-3-[4-(4-acetylphenyl)-2-fluorophenyl]-7a-methyl-2-(phenylmethyl)-3,3a,6,7-tetrahydroisoindol-1-one	0	aromatic ketone		0	0		low	0	0	0	0	0	0
(3-propan-2-yloxyphenyl)-[1-[(1-propan-2-yl-4-pyrazolyl)methyl]-3-piperidinyl]methanone	0	aromatic ketone		0	0		low	0	0	0	0	0	0
[2-(methylthio)phenyl]-[1-[oxo(4-thiadiazolyl)methyl]-3-piperidinyl]methanone	0	aromatic ketone		0	0		low	0	0	0	0	0	0
2-(3,5-dimethyl-1-pyrazolyl)-1-[3-[oxo-(3-propan-2-yloxyphenyl)methyl]-1-piperidinyl]ethanone	0	aromatic ketone		0	0		low	0	0	0	0	0	0
[1-[(5-methyl-1-propyl-4-pyrazolyl)methyl]-3-piperidinyl]-(3-propan-2-yloxyphenyl)methanone	0	aromatic ketone		0	0		low	0	0	0	0	0	0
[1-[[1-(5-chloro-2-pyridinyl)-2-pyrrolyl]methyl]-3-piperidinyl]-(2,4-dimethoxyphenyl)methanone	0	aromatic ketone		0	0		low	0	0	0	0	0	0
2-(2-acetyl-3,5-dihydroxyphenyl)acetic acid	0	aromatic ketone		0	0		low	0	0	0	0	0	0
1-(3,4-dihydroxyphenyl)-2-thiocyanate-ethanone	0	aromatic ketone; catechols; thiocyanates		0	0		low	0	0	0	0	0	0
(3R,3aS,7R,7aS)-3-[3-(4-acetylphenyl)-4-fluorophenyl]-7-methyl-2-(phenylmethyl)-3a,6,7,7a-tetrahydro-3H-isoindol-1-one	0	aromatic ketone		0	0		low	0	0	0	0	0	0
N-(3-acetylphenyl)-5-(3-methyl-5-isoxazolyl)-2-thiophenesulfonamide	0	aromatic ketone		0	0		low	0	0	0	0	0	0
5-[[4-(4-acetylphenyl)-1-piperazinyl]sulfonyl]-1,3-dihydroindol-2-one	0	aromatic ketone		0	0		low	0	0	0	0	0	0
plx 4720	0	aromatic ketone; difluorobenzene; organochlorine compound; pyrrolopyridine; sulfonamide	antineoplastic agent; B-Raf inhibitor	0	0		low	0	0	0	0	0	0
lcl161	0	1,3-thiazoles; aromatic ketone; L-alanine derivative; monofluorobenzenes; N-acylpyrrolidine	antineoplastic agent; apoptosis inducer	0	0		low	0	0	0	0	0	0
a-922500	0	aromatic ketone		0	0		low	0	0	0	0	0	0
marinopyrrole a	0	aromatic ketone; organochlorine compound; phenols; pyrroles	antibacterial agent; antimicrobial agent; antineoplastic agent; bacterial metabolite; marine metabolite	0	0		low	0	0	0	0	0	0
plx4032	0	aromatic ketone; difluorobenzene; monochlorobenzenes; pyrrolopyridine; sulfonamide	antineoplastic agent; B-Raf inhibitor	0	0		low	0	0	0	0	0	0
1-[2-[4-[(1-methyl-5-tetrazolyl)thio]-5-thieno[2,3-d]pyrimidinyl]phenyl]ethanone	0	aromatic ketone; thienopyrimidine		0	0		low	0	0	0	0	0	0
cblc137	0	aromatic ketone; carbazoles; methyl ketone; secondary amino compound; tertiary amino compound	antineoplastic agent; apoptosis inducer; NF-kappaB inhibitor; p53 activator	0	0		low	0	0	0	0	0	0
myrtucommulone a	0	aromatic ketone		0	0		low	0	0	0	0	0	0
(3,4-dimethoxyphenyl)-[1-(2-phenylethyl)-3-piperidinyl]methanone	0	aromatic ketone		0	0		low	0	0	0	0	0	0
[1-(cyclohexylmethyl)-3-piperidinyl]-(3,4-dimethoxyphenyl)methanone	0	aromatic ketone		0	0		low	0	0	0	0	0	0
yk 4-279	0	aromatic ketone		0	0		low	0	0	0	0	0	0
1-[3-[4-[(1-methyl-5-tetrazolyl)thio]-5-thieno[2,3-d]pyrimidinyl]phenyl]ethanone	0	aromatic ketone; thienopyrimidine		0	0		low	0	0	0	0	0	0
5-[[4-(4-acetylphenyl)-1-piperazinyl]sulfonyl]-3,3-dichloro-1H-indol-2-one	0	aromatic ketone		0	0		low	0	0	0	0	0	0
mephedrone	0	amphetamines; aromatic ketone; secondary amino compound	environmental contaminant; xenobiotic	0	0		low	0	0	0	0	0	0
alectinib	0	aromatic ketone; morpholines; nitrile; organic heterotetracyclic compound; piperidines	antineoplastic agent; EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor	0	0		low	0	0	0	0	0	0
4-methylethcathinone	0	aromatic ketone		0	0		low	0	0	0	0	0	0
3,4-dimethylmethcathinone	0	aromatic ketone		0	0		low	0	0	0	0	0	0
pogostone	0	aromatic ketone		0	0		low	0	0	0	0	0	0
ilicicolin h	0	aromatic ketone; carbobicyclic compound; ilicicolin; monohydroxypyridine; octahydronaphthalenes; phenols; pyridone	antimicrobial agent; mitochondrial respiratory-chain inhibitor	0	0		low	0	0	0	0	0	0
[4-amino-2-[2-methoxy-4-(4-methyl-1-piperazinyl)anilino]-5-thiazolyl]-(2,6-dichlorophenyl)methanone	0	aromatic ketone		0	0		low	0	0	0	0	0	0
myxopyronin b	0	aromatic ketone		0	0		low	0	0	0	0	0	0
N-(4-acetylphenyl)-2-[(4-oxo-1H-quinazolin-2-yl)thio]butanamide	0	aromatic ketone		0	0		low	0	0	0	0	0	0
6-amino-2-[[2-(3,4-dimethylphenyl)-2-oxoethyl]thio]-1H-pyrimidin-4-one	0	aromatic ketone		0	0		low	0	0	0	0	0	0
3-(4-oxo-1H-quinazolin-2-yl)propanoic acid [1-(4-bromophenyl)-1-oxopropan-2-yl] ester	0	aromatic ketone		0	0		low	0	0	0	0	0	0
nbi 31772	0	aromatic ketone; benzenediols; hydroxy monocarboxylic acid; isoquinolines; tetrol	insulin-like growth factor-binding protein inhibitor	0	0		low	0	0	0	0	0	0

Substance	Studies	Classes	Roles	First Year	Last Year	Average Age	Relationship Strength	2000's
2-aminoadipic acid	0	amino dicarboxylic acid; dicarboxylic fatty acid; non-proteinogenic alpha-amino acid	Caenorhabditis elegans metabolite; mammalian metabolite	0	0		low	0
skatole	0	methylindole	human metabolite; mammalian metabolite	0	0		low	0
isovaleric acid	0	branched-chain saturated fatty acid; methylbutyric acid; short-chain fatty acid	mammalian metabolite; plant metabolite	0	0		low	0
margaric acid	0	long-chain fatty acid; straight-chain saturated fatty acid	algal metabolite; Daphnia magna metabolite; mammalian metabolite	0	0		low	0
2,3,4-trimethylpentane	0	alkane; volatile organic compound	mammalian metabolite; nephrotoxic agent	0	0		low	0
14-methylhexadecanoic acid	0	branched-chain saturated fatty acid; long-chain fatty acid; methyl-branched fatty acid	mammalian metabolite; plant metabolite	0	0		low	0
4-methyl-3-heptanone	0	dialkyl ketone	alarm pheromone; flavouring agent; mammalian metabolite	0	0		low	0
dimethyldiselenide	0	organoselenium compound	bacterial metabolite; human xenobiotic metabolite; mammalian metabolite; plant metabolite	0	0		low	0
estradiol-3-sulfate	0	17beta-hydroxy steroid; steroid sulfate	mammalian metabolite	0	0		low	0
glutaurine	0	dipeptide zwitterion; dipeptide; L-glutamine derivative; sulfonic acid	anticonvulsant; anxiolytic drug; hormone; human metabolite; mammalian metabolite; mouse metabolite	0	0		low	0
2,8-dihydroxyadenine	0	6-aminopurines; diol; heteroaryl hydroxy compound; oxopurine	human urinary metabolite; mammalian metabolite; mouse metabolite; nephrotoxic agent	0	0		low	0
3-chloro-4-hydroxyphenylacetic acid	0	hydroxy monocarboxylic acid; monochlorobenzenes; phenols	mammalian metabolite	0	0		low	0
cystathionine ketimine	0	1-thia-4-azacyclohepta-3-ene-3,5-dicarboxylic acid; sulfur-containing amino acid	human urinary metabolite; mammalian metabolite; rat metabolite; reactive oxygen species generator	0	0		low	0
androstane-3,7,17-triol	0	17beta-hydroxy steroid; 3beta-sterol; 7alpha-hydroxy steroid; triol	mammalian metabolite	0	0		low	0
felinine	0	L-cysteine thioether; non-proteinogenic L-alpha-amino acid; S-alkyl-L-cysteine zwitterion	mammalian metabolite; pheromone	0	0		low	0
delta-1-piperidine-6-carboxylic acid	0	monocarboxylic acid; tetrahydropyridine	mammalian metabolite	0	0		low	0
androstane-3,6,17-triol	0	17beta-hydroxy steroid; 3beta-sterol; 6alpha-hydroxy steroid; triol	mammalian metabolite	0	0		low	0
albicanol	0	carbobicyclic compound; homoallylic alcohol; primary alcohol; sesquiterpenoid	antifeedant; antifungal agent; antineoplastic agent; fungal metabolite; mammalian metabolite; marine metabolite; plant metabolite	0	0		low	0
equilenin	0	17-oxo steroid; 3-hydroxy steroid	antioxidant; mammalian metabolite	0	0		low	0
cyclic 3',5'-uridine monophosphate	0	3',5'-cyclic pyrimidine nucleotide	bacterial metabolite; mammalian metabolite; signalling molecule	0	0		low	0
18-methyleicosanoic acid	0	branched-chain saturated fatty acid; long-chain fatty acid; methyl-branched fatty acid	mammalian metabolite	0	0		low	0
N-acetyl-alpha-neuraminyl-(2->3)-beta-D-galactosyl-(1->4)-beta-D-glucose	0	N-acetyl-alpha-neuraminyl-(2->3)-beta-D-galactosyl-(1->4)-D-glucose	epitope; mammalian metabolite	0	0		low	0
erucyl amide	0	13-docosenamide	EC 3.1.1.7 (acetylcholinesterase) inhibitor; human metabolite; mammalian metabolite; plant metabolite; rat metabolite	0	0		low	0
6 beta-hydroxycortisol	0	11beta-hydroxy steroid; 17alpha-hydroxy steroid; 20-oxo steroid; 21-hydroxy steroid; 3-oxo-Delta(4) steroid; 6beta-hydroxy steroid; C21-steroid; primary alpha-hydroxy ketone; tertiary alpha-hydroxy ketone	human metabolite; mammalian metabolite; probe	0	0		low	0
androst-16-en-3-one	0	3-oxo steroid; androstanoid	mammalian metabolite; pheromone	0	0		low	0
benzamidoxime	0	amidoxime	bacterial metabolite; genotoxin; mammalian metabolite	0	0		low	0
n-arachidonoyl l-serine	0	N-(fatty acyl)-L-alpha-amino acid	cannabinoid receptor agonist; mammalian metabolite; neuroprotective agent; pro-angiogenic agent; vasodilator agent	0	0		low	0
n-arachidonoylalanine	0	N-(fatty acyl)-L-alpha-amino acid; N-acyl-L-alanine	mammalian metabolite	0	0		low	0
ambrein	0	tertiary alcohol; triterpenoid	hypoglycemic agent; mammalian metabolite	0	0		low	0
cyclic imp	0	3',5'-cyclic purine nucleotide; nucleoside 3',5'-cyclic phosphate	mammalian metabolite; Saccharomyces cerevisiae metabolite	0	0		low	0
2,3-dihydroxybenzoic acid	0	dihydroxybenzoic acid	human xenobiotic metabolite; plant metabolite	0	0		low	0
2,5-dichlorophenol	0	dichlorophenol	human xenobiotic metabolite	0	0		low	0
protocatechuic acid	0	catechols; dihydroxybenzoic acid	antineoplastic agent; EC 1.1.1.25 (shikimate dehydrogenase) inhibitor; EC 1.14.11.2 (procollagen-proline dioxygenase) inhibitor; human xenobiotic metabolite; plant metabolite	0	0		low	0
dihydro-3-coumaric acid	0	monocarboxylic acid	Escherichia coli metabolite; human xenobiotic metabolite	0	0		low	0
2-(3-pyridine)acetic acid	0	monocarboxylic acid; pyridines	human xenobiotic metabolite	0	0		low	0
adipic acid	0	alpha,omega-dicarboxylic acid; dicarboxylic fatty acid	food acidity regulator; human xenobiotic metabolite	0	0		low	0
benzoic acid	0	benzoic acids	algal metabolite; antimicrobial food preservative; drug allergen; EC 1.13.11.33 (arachidonate 15-lipoxygenase) inhibitor; EC 3.1.1.3 (triacylglycerol lipase) inhibitor; human xenobiotic metabolite; plant metabolite	0	0		low	0
2-cresol	0	cresol	human xenobiotic metabolite	0	0		low	0
3-cresol	0	cresol	human xenobiotic metabolite	0	0		low	0
gallic acid	0	trihydroxybenzoic acid	antineoplastic agent; antioxidant; apoptosis inducer; astringent; cyclooxygenase 2 inhibitor; EC 1.13.11.33 (arachidonate 15-lipoxygenase) inhibitor; geroprotector; human xenobiotic metabolite; plant metabolite	0	0		low	0
diethyl phosphate	0	dialkyl phosphate	human xenobiotic metabolite; mouse metabolite	0	0		low	0
o,o-diethyl phosphorothionate	0	organic thiophosphate	human xenobiotic metabolite; mouse metabolite	0	0		low	0
hydroquinone	0	benzenediol; hydroquinones	antioxidant; carcinogenic agent; cofactor; Escherichia coli metabolite; human xenobiotic metabolite; mouse metabolite; skin lightening agent	0	0		low	0
melilotic acid	0	monocarboxylic acid; phenols	bacterial xenobiotic metabolite; fungal xenobiotic metabolite; human xenobiotic metabolite; plant metabolite	0	0		low	0
norepinephrine, (+,-)-isomer	0	catecholamine	human xenobiotic metabolite	0	0		low	0
4-nitrophenol	0	4-nitrophenols	human xenobiotic metabolite; mouse metabolite	0	0		low	0
pentachlorophenol	0	aromatic fungicide; chlorophenol; organochlorine pesticide; pentachlorobenzenes	human xenobiotic metabolite	0	0		low	0
phenol	0	phenols	antiseptic drug; disinfectant; human xenobiotic metabolite; mouse metabolite	0	0		low	0
phthalic acid	0	benzenedicarboxylic acid	human xenobiotic metabolite	0	0		low	0
propylene glycol	0	glycol; propane-1,2-diols	allergen; human xenobiotic metabolite; mouse metabolite; protic solvent	0	0		low	0
trimethylamine	0	methylamines; tertiary amine	Escherichia coli metabolite; human xenobiotic metabolite	0	0		low	0
mandelic acid	0	2-hydroxy monocarboxylic acid; benzenes	antibacterial agent; human xenobiotic metabolite	0	0		low	0
dichlorodiphenyl dichloroethylene	0	chlorophenylethylene; monochlorobenzenes	human xenobiotic metabolite; persistent organic pollutant	0	0		low	0
quinone	0	1,4-benzoquinones	cofactor; human xenobiotic metabolite; mouse metabolite	0	0		low	0
1,7-dimethylxanthine	0	dimethylxanthine	central nervous system stimulant; human blood serum metabolite; human xenobiotic metabolite; mouse metabolite	0	0		low	0
psilocin	0	hydroxyindoles; phenols; tertiary amino compound; tryptamine alkaloid	drug metabolite; fungal metabolite; hallucinogen; human xenobiotic metabolite; serotonergic agonist	0	0		low	0
estriol	0	16alpha-hydroxy steroid; 17beta-hydroxy steroid; 3-hydroxy steroid	estrogen; human metabolite; human xenobiotic metabolite; mouse metabolite	0	0		low	0
phenylalanine	0	amino acid zwitterion; erythrose 4-phosphate/phosphoenolpyruvate family amino acid; L-alpha-amino acid; phenylalanine; proteinogenic amino acid	algal metabolite; EC 3.1.3.1 (alkaline phosphatase) inhibitor; Escherichia coli metabolite; human xenobiotic metabolite; micronutrient; mouse metabolite; nutraceutical; plant metabolite; Saccharomyces cerevisiae metabolite	0	0		low	0
tert-butyl alcohol	0	tertiary alcohol	human xenobiotic metabolite	0	0		low	0
trifluoroacetic acid	0	fluoroalkanoic acid	human xenobiotic metabolite; NMR chemical shift reference compound; reagent	0	0		low	0
2-furoic acid	0	furoic acid	bacterial xenobiotic metabolite; human xenobiotic metabolite; inhibitor; plant metabolite; Saccharomyces cerevisiae metabolite	0	0		low	0
1-naphthol	0	naphthol	genotoxin; human xenobiotic metabolite	0	0		low	0
2-phenylbutyric acid	0	benzenes; monocarboxylic acid	human xenobiotic metabolite	0	0		low	0
benzohydrol	0	benzyl alcohols; secondary alcohol	bacterial xenobiotic metabolite; human urinary metabolite; human xenobiotic metabolite; rat metabolite	0	0		low	0
(3,4-dimethoxyphenyl)acetic acid	0	dimethoxybenzene; phenylacetic acids	human urinary metabolite; human xenobiotic metabolite	0	0		low	0
styrene oxide	0	epoxide	human xenobiotic metabolite	0	0		low	0
3-toluic acid	0	methylbenzoic acid	human xenobiotic metabolite	0	0		low	0
gamma-terpinene	0	cyclohexadiene; monoterpene	antioxidant; human xenobiotic metabolite; plant metabolite; volatile oil component	0	0		low	0
cyclamic acid	0	sulfamic acids	environmental contaminant; human xenobiotic metabolite	0	0		low	0
4-bromophenol	0	bromophenol	human urinary metabolite; human xenobiotic metabolite; marine metabolite; mouse metabolite; persistent organic pollutant; rat metabolite	0	0		low	0
acrolein	0	enal	herbicide; human xenobiotic metabolite; toxin	0	0		low	0
gamma-valerolactone	0	butan-4-olide	flavouring agent; human xenobiotic metabolite	0	0		low	0
cyclohexanone	0	cyclohexanones	human xenobiotic metabolite	0	0		low	0
2,5-hexanedione	0	diketone; methyl ketone	human xenobiotic metabolite; neurotoxin	0	0		low	0
diethanolamine	0	ethanolamines	human xenobiotic metabolite	0	0		low	0
3,4,5-trimethoxybenzoic acid	0	benzoic acids; methoxybenzenes	human urinary metabolite; human xenobiotic metabolite; plant metabolite	0	0		low	0
3-tert-butyl-4-hydroxyanisole	0	aromatic ether; phenols	antioxidant; human xenobiotic metabolite	0	0		low	0
1-naphthylamine	0	naphthylamine	human xenobiotic metabolite	0	0		low	0
2-naphthol	0	naphthol	antinematodal drug; genotoxin; human urinary metabolite; human xenobiotic metabolite; mouse metabolite; radical scavenger	0	0		low	0
salicylurate	0	N-acylglycine; secondary carboxamide	human xenobiotic metabolite; uremic toxin	0	0		low	0
indole-3-carbaldehyde	0	heteroarenecarbaldehyde; indole alkaloid; indoles	bacterial metabolite; human xenobiotic metabolite; marine metabolite; plant metabolite	0	0		low	0
hydratropic acid	0	2-arylpropionic acid	human xenobiotic metabolite	0	0		low	0
tropic acid	0	3-hydroxy monocarboxylic acid	human xenobiotic metabolite	0	0		low	0
2-hydroxyisobutyric acid	0	2-hydroxy monocarboxylic acid	human xenobiotic metabolite	0	0		low	0
mandelic acid, (r)-isomer	0	mandelic acid	human xenobiotic metabolite	0	0		low	0
phenylglyoxylic acid	0	2-oxo monocarboxylic acid	biomarker; human xenobiotic metabolite	0	0		low	0
2-phenyl-2-propanol	0	benzyl alcohols; tertiary alcohol	human xenobiotic metabolite; Mycoplasma genitalium metabolite	0	0		low	0
3-hydroxybenzeneacetic acid	0	monocarboxylic acid; phenols	human xenobiotic metabolite	0	0		low	0
methoxyacetic acid	0	ether; monocarboxylic acid	antineoplastic agent; apoptosis inducer; human xenobiotic metabolite; mutagen	0	0		low	0
dihydroferulic acid	0	guaiacols; monocarboxylic acid; phenylpropanoid	antioxidant; human xenobiotic metabolite; mouse metabolite; plant metabolite	0	0		low	0
1,6-diaminohexane	0	alkane-alpha,omega-diamine	human xenobiotic metabolite	0	0		low	0
phenoxyacetic acid	0	aromatic ether; monocarboxylic acid	allergen; Aspergillus metabolite; human xenobiotic metabolite; plant growth retardant	0	0		low	0
3-phenoxybenzoic acid	0	phenoxybenzoic acid	human xenobiotic metabolite; marine xenobiotic metabolite	0	0		low	0
3,5,6-trichloro-2-pyridinol	0	chloropyridine; hydroxypyridine; pyridone	human urinary metabolite; human xenobiotic metabolite; marine xenobiotic metabolite	0	0		low	0
estetrol	0	15alpha-hydroxy steroid; 16alpha-hydroxy steroid; 17beta-hydroxy steroid; 3-hydroxy steroid; steroid hormone	estrogen receptor agonist; estrogen; human metabolite; human xenobiotic metabolite; oral contraceptive	0	0		low	0
4-heptanone	0	dialkyl ketone	biomarker; human urinary metabolite; human xenobiotic metabolite; rat metabolite	0	0		low	0
1-methyl-4-phenylpyridinium	0	pyridinium ion	apoptosis inducer; herbicide; human xenobiotic metabolite; neurotoxin	0	0		low	0
4-vinylphenol	0	phenols	human urinary metabolite; human xenobiotic metabolite	0	0		low	0
7-hydroxydehydroepiandrosterone	0	17-oxo steroid; 3beta-hydroxy-Delta(5)-steroid; 7alpha-hydroxy steroid; androstanoid	anti-inflammatory agent; antioxidant; estrogen; human xenobiotic metabolite; rat metabolite	0	0		low	0
7-methylxanthine	0	oxopurine; purine alkaloid	human xenobiotic metabolite; mouse metabolite; plant metabolite	0	0		low	0
1,3,5-trimethoxybenzene	0	methoxybenzenes	biomarker; human xenobiotic metabolite	0	0		low	0
1-methyluric acid	0	oxopurine	human xenobiotic metabolite; mouse metabolite	0	0		low	0
6-methylthioguanine	0	2-aminopurines; thiopurine	human xenobiotic metabolite	0	0		low	0
phenylsulfate	0	aryl sulfate	human xenobiotic metabolite	0	0		low	0
1,3,7,9-tetramethyluric acid	0	oxopurine; purine alkaloid	analgesic; anti-inflammatory agent; human xenobiotic metabolite; plant metabolite	0	0		low	0
mono-n-octyl phthalate	0	phthalic acid monoester	human xenobiotic metabolite	0	0		low	0
1,3,7-trimethylurate	0	oxopurine	human blood serum metabolite; human urinary metabolite; human xenobiotic metabolite; mouse metabolite	0	0		low	0
n-hydroxy-4-aminobiphenyl	0	aminobiphenyl; N-substituted amine	carcinogenic agent; human xenobiotic metabolite	0	0		low	0
4-methylumbelliferyl sulfate	0	aryl sulfate; coumarins	human xenobiotic metabolite	0	0		low	0
trimethylselenonium	0	organic cation	human xenobiotic metabolite	0	0		low	0
1,7-dimethyluric acid	0	oxopurine	human xenobiotic metabolite; mouse metabolite	0	0		low	0
aspartyl-phenylalanine	0	dipeptide	human blood serum metabolite; human xenobiotic metabolite	0	0		low	0
1,2,3,4-tetrahydro-beta-carboline-3-carboxylic acid	0	alpha-amino acid; aromatic amino acid; beta-carboline alkaloid	human urinary metabolite; human xenobiotic metabolite; plant metabolite; rat metabolite	0	0		low	0
aflatoxin q1	0	aflatoxin; aromatic ether; aromatic ketone	carcinogenic agent; human xenobiotic metabolite	0	0		low	0
androsta-1,4,6-triene-3,17-dione	0	17-oxo steroid; 3-oxo-Delta(1),Delta(4)-steroid; androstanoid	EC 1.14.14.14 (aromatase) inhibitor; human xenobiotic metabolite	0	0		low	0
2-hydroxyamino-1-methyl-6-phenylimidazo(4,5-b)pyridine	0	hydroxylamine; imidazopyridine	carcinogenic agent; genotoxin; human xenobiotic metabolite; mouse metabolite; mutagen; neurotoxin; rat metabolite	0	0		low	0
11-hydroxytestosterone	0	11beta-hydroxy steroid; 17beta-hydroxy steroid; 3-oxo-Delta(4) steroid; androstanoid; C19-steroid	bacterial xenobiotic metabolite; human xenobiotic metabolite; marine metabolite	0	0		low	0
mono(2-ethyl-5-oxohexyl)phthalate	0	methyl ketone; phthalic acid monoester	human urinary metabolite; human xenobiotic metabolite	0	0		low	0
eseroline	0	phenols; pyrroloindole	human xenobiotic metabolite; opioid analgesic	0	0		low	0
2-(s-glutathionyl)hydroquinone	0	aryl sulfide; glutathione conjugate; hydroquinones	human xenobiotic metabolite; nephrotoxic agent	0	0		low	0
tyramine o-sulfate	0	aryl sulfate; primary amino compound; zwitterion	human urinary metabolite; human xenobiotic metabolite	0	0		low	0
5,6-didehydrosparteine	0	organic heterotetracyclic compound; quinolizidine alkaloid; tertiary amino compound	human xenobiotic metabolite	0	0		low	0
methanearsonous acid	0	arsonous acids; one-carbon compound	carcinogenic agent; human xenobiotic metabolite; poison	0	0		low	0
methylselenic acid	0	one-carbon compound; organoselenium compound	antineoplastic agent; EC 3.5.1.98 (histone deacetylase) inhibitor; human xenobiotic metabolite	0	0		low	0
glycyrrhetyl 3-monoglucuronide	0	beta-D-glucosiduronic acid; enone; monosaccharide derivative; oxo dicarboxylic acid; pentacyclic triterpenoid; triterpenoid saponin	anti-allergic agent; EC 1.1.1.146 (11beta-hydroxysteroid dehydrogenase) inhibitor; human xenobiotic metabolite; plant metabolite; sweetening agent	0	0		low	0
13,14-dihydro-15-ketoprostaglandin e1	0	prostaglandins E	human xenobiotic metabolite	0	0		low	0
mono(2-ethyl-5-hydroxyhexyl) phthalate	0	phthalic acid monoester	human urinary metabolite; human xenobiotic metabolite	0	0		low	0
n(4)-hydroxycytidine	0	ketoxime; nucleoside analogue	anticoronaviral agent; antiviral agent; drug metabolite; human xenobiotic metabolite	0	0		low	0
(-)-gallocatechin gallate	0	catechin; gallate ester; polyphenol	antineoplastic agent; EC 3.4.22.69 (SARS coronavirus main proteinase) inhibitor; human xenobiotic metabolite; plant metabolite	0	0		low	0
hydroxydione	0	20-oxo steroid; 21-hydroxy steroid; 3-oxo-5beta-steroid; primary alpha-hydroxy ketone	human xenobiotic metabolite	0	0		low	0
3,4-dihydroxyphenylpropionic acid	0	(dihydroxyphenyl)propanoic acid	antioxidant; human xenobiotic metabolite	0	0		low	0
indole-3-acetonitrile	0	indoles; nitrile	auxin; human xenobiotic metabolite; plant hormone; plant metabolite	0	0		low	0
3,4-didehydroretinoic acid	0	retinoid; vitamin A	human xenobiotic metabolite	0	0		low	0
benzoylecgonine	0	benzoate ester; tropane alkaloid	epitope; human xenobiotic metabolite; marine xenobiotic metabolite; plant metabolite	0	0		low	0
sodium benzoate	0	organic sodium salt	algal metabolite; antimicrobial food preservative; drug allergen; EC 1.13.11.33 (arachidonate 15-lipoxygenase) inhibitor; EC 3.1.1.3 (triacylglycerol lipase) inhibitor; human xenobiotic metabolite; plant metabolite	0	0		low	0
11-hydroxy-delta(9)-tetrahydrocannabinol	0	phytocannabinoid	human xenobiotic metabolite	0	0		low	0
cotinine	0	N-alkylpyrrolidine; pyridines; pyrrolidin-2-ones; pyrrolidine alkaloid	antidepressant; biomarker; human xenobiotic metabolite; plant metabolite	0	0		low	0
n-methylthiourea	0	thioureas	drug metabolite; hepatotoxic agent; human xenobiotic metabolite	0	0		low	0
4-nitrocatechol	0	C-nitro compound; catechols	human xenobiotic metabolite; lipoxygenase inhibitor	0	0		low	0
hydroxypioglitazone	0	aromatic ether; pyridines; thiazolidinediones	human xenobiotic metabolite	0	0		low	0
retinol palmitate	0	all-trans-retinyl ester; retinyl palmitate	antioxidant; Escherichia coli metabolite; human xenobiotic metabolite	0	0		low	0
kaempferol	0	7-hydroxyflavonol; flavonols; tetrahydroxyflavone	antibacterial agent; geroprotector; human blood serum metabolite; human urinary metabolite; human xenobiotic metabolite; plant metabolite	0	0		low	0
leukotriene b5	0	dihydroxy monocarboxylic acid; hydroxy polyunsaturated fatty acid; leukotriene; long-chain fatty acid	anti-inflammatory agent; human xenobiotic metabolite; rat metabolite	0	0		low	0
5,15-dihydroxy-6,8,11,13-eicosatetraenoic acid	0	dihydroxyicosatetraenoic acid	human xenobiotic metabolite; rat metabolite	0	0		low	0
arachidonic acid 5-hydroperoxide	0	HPETE	human xenobiotic metabolite	0	0		low	0
muconic acid	0	muconic acid	biomarker; human xenobiotic metabolite	0	0		low	0
ethyl arachidonate	0	long-chain fatty acid ethyl ester	human blood serum metabolite; human xenobiotic metabolite	0	0		low	0
trandolaprilat	0	dicarboxylic acid; dipeptide; organic heterobicyclic compound; secondary amino compound; tertiary carboxamide	antihypertensive agent; drug metabolite; EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor; human xenobiotic metabolite	0	0		low	0
25-hydroxyvitamin d 2	0	hydroxycalciol; seco-ergostane; vitamin D	bone density conservation agent; human xenobiotic metabolite; nutraceutical	0	0		low	0
vitamin a2	0	retinoid; vitamin A	human xenobiotic metabolite; marine xenobiotic metabolite; mouse metabolite	0	0		low	0
4-oxoretinoic acid	0	enone; retinoid	human xenobiotic metabolite	0	0		low	0
15-hydroperoxy-5,8,11,13-eicosatetraenoic acid	0	HPETE	human xenobiotic metabolite	0	0		low	0
5-oxo-15-hydroxy-6,8,11,13-eicosatetraenoic acid	0	enone; hydroxy polyunsaturated fatty acid; icosanoid; long-chain fatty acid; oxo fatty acid; secondary allylic alcohol	human xenobiotic metabolite	0	0		low	0
5,12-dihydroxy-6,8,14-eicosatrienoic acid	0	dihydroxy monocarboxylic acid; hydroxy polyunsaturated fatty acid; leukotriene; long-chain fatty acid	human urinary metabolite; human xenobiotic metabolite	0	0		low	0
17-hydroxy-4,7,10,13,15,19-docosahexaenoic acid	0	hydroxydocosahexaenoic acid; secondary allylic alcohol	human xenobiotic metabolite	0	0		low	0
riddelliine n-oxide	0	diol; macrocyclic lactone; olefinic compound; organic heterotricyclic compound; primary alcohol; pyrrolizine alkaloid; tertiary alcohol; tertiary amine oxide	carcinogenic agent; genotoxin; human xenobiotic metabolite; Jacobaea metabolite; mutagen; rat metabolite	0	0		low	0
meso-zeaxanthin	0	carotenol	anti-inflammatory agent; antioxidant; human xenobiotic metabolite; marine metabolite	0	0		low	0
13(S)-HODE	0	HODE	antineoplastic agent; human xenobiotic metabolite; mouse metabolite	0	0		low	0
3-hydroxyphenylacetate	0	hydroxy monocarboxylic acid anion	human xenobiotic metabolite	0	0		low	0
1,25-dihydroxyergocalciferol	0	hydroxycalciol; seco-ergostane; vitamin D	bone density conservation agent; human xenobiotic metabolite; nutraceutical	0	0		low	0
demethylmirtazapine	0	benzazepine; tetracyclic antidepressant	alpha-adrenergic antagonist; anxiolytic drug; H1-receptor antagonist; histamine antagonist; human xenobiotic metabolite; serotonergic antagonist	0	0		low	0
5s,12r,18r-trihydroxy-6z,8e,10e,14z,16e-eicosapentaenoic acid	0	hydroxy polyunsaturated fatty acid; long-chain fatty acid; nonclassic icosanoid; resolvin; triol	anti-inflammatory agent; human xenobiotic metabolite	0	0		low	0
resolvin d2	0	hydroxy polyunsaturated fatty acid; resolvin; secondary allylic alcohol; triol	anti-inflammatory agent; anti-obesity agent; estrogen receptor agonist; human xenobiotic metabolite; rat metabolite	0	0		low	0
protectin d1	0	dihydroxydocosahexaenoic acid; protectin; secondary allylic alcohol	anti-inflammatory agent; apoptosis inhibitor; hepatoprotective agent; human xenobiotic metabolite; neuroprotective agent; PPARgamma agonist; specialised pro-resolving mediator	0	0		low	0
resolvin e2	0	diol; hydroxy polyunsaturated fatty acid; resolvin; secondary allylic alcohol	anti-inflammatory agent; human xenobiotic metabolite; rat metabolite	0	0		low	0
11,12-epoxy-5,8,14-eicosatrienoic acid	0	11,12-EET	human xenobiotic metabolite	0	0		low	0
resolvin D4	0	hydroxy polyunsaturated fatty acid; resolvin; secondary allylic alcohol; triol	anti-inflammatory agent; human xenobiotic metabolite	0	0		low	0
resolvin d3	0	hydroxy polyunsaturated fatty acid; resolvin; secondary allylic alcohol; triol	anti-inflammatory agent; human xenobiotic metabolite	0	0		low	0
2-hydroxyatrazine	0	diamino-1,3,5-triazine; monohydroxy-1,3,5-triazine	human xenobiotic metabolite; marine xenobiotic metabolite	0	0		low	0
betaine aldehyde	0	quaternary ammonium ion	Aspergillus metabolite; Escherichia coli metabolite; human metabolite; mouse metabolite; plant metabolite	0	0		low	0
phenylacetic acid	0	benzenes; monocarboxylic acid; phenylacetic acids	allergen; Aspergillus metabolite; auxin; EC 6.4.1.1 (pyruvate carboxylase) inhibitor; Escherichia coli metabolite; human metabolite; plant growth retardant; plant metabolite; Saccharomyces cerevisiae metabolite; toxin	0	0		low	0
kojic acid	0	4-pyranones; enol; primary alcohol	Aspergillus metabolite; EC 1.10.3.1 (catechol oxidase) inhibitor; EC 1.10.3.2 (laccase) inhibitor; EC 1.13.11.24 (quercetin 2,3-dioxygenase) inhibitor; EC 1.14.18.1 (tyrosinase) inhibitor; EC 1.4.3.3 (D-amino-acid oxidase) inhibitor; NF-kappaB inhibitor; skin lightening agent	0	0		low	0
patulin	1	furopyran; gamma-lactone; lactol	antimicrobial agent; Aspergillus metabolite; carcinogenic agent; mutagen; mycotoxin; Penicillium metabolite	2006	2006	18.0	low	1
phenylethyl alcohol	0	benzenes; primary alcohol	Aspergillus metabolite; fragrance; plant growth retardant; plant metabolite; Saccharomyces cerevisiae metabolite	0	0		low	0
orcinol	0	5-alkylresorcinol; dihydroxytoluene	Aspergillus metabolite	0	0		low	0
3-methylfuran	0	furans; volatile organic compound	Aspergillus metabolite; environmental contaminant; fungal metabolite; Penicillium metabolite; plant metabolite	0	0		low	0
2-pentylfuran	0	furans	Aspergillus metabolite; bacterial metabolite; flavouring agent; human urinary metabolite; insect repellent; plant growth stimulator; volatile oil component	0	0		low	0
ochratoxin b	0	isochromanes; monocarboxylic acid; N-acyl-L-phenylalanine; phenylalanine derivative	Aspergillus metabolite; calcium channel blocker; mycotoxin; Penicillium metabolite	0	0		low	0
ochratoxin c	0	alpha-amino acid ester; isochromanes; phenylalanine derivative	Aspergillus metabolite; mycotoxin; Penicillium metabolite	0	0		low	0
lovastatin	0	delta-lactone; fatty acid ester; hexahydronaphthalenes; polyketide; statin (naturally occurring)	anticholesteremic drug; antineoplastic agent; Aspergillus metabolite; prodrug	0	0		low	0
l 154819	0	carbobicyclic compound; dihydroxy monocarboxylic acid; fatty acid ester; polyketide	Aspergillus metabolite; drug metabolite; EC 1.1.1.34/EC 1.1.1.88 (hydroxymethylglutaryl-CoA reductase) inhibitor; teratogenic agent	0	0		low	0
viridicatin	0	hydroxyquinoline	antibacterial agent; Aspergillus metabolite; marine metabolite; Penicillium metabolite	0	0		low	0
beta-amyrin	0	pentacyclic triterpenoid; secondary alcohol	Aspergillus metabolite; plant metabolite	0	0		low	0
terreic acid	0	arene epoxide; diketone; monohydroxy-1,4-benzoquinones; tertiary alpha-hydroxy ketone	antibacterial agent; antineoplastic agent; Aspergillus metabolite; EC 2.3.1.* (acyltransferase transferring other than amino-acyl group) inhibitor; EC 2.5.1.7 (UDP-N-acetylglucosamine 1-carboxyvinyltransferase) inhibitor; EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor; mycotoxin	0	0		low	0
terphenyllin	0	dimethoxybenzene; para-terphenyl; phenols	Aspergillus metabolite; mycotoxin	0	0		low	0
paxilline	0	diterpene alkaloid; enone; organic heterohexacyclic compound; terpenoid indole alkaloid; tertiary alcohol	anticonvulsant; Aspergillus metabolite; EC 3.6.3.8 (Ca(2+)-transporting ATPase) inhibitor; genotoxin; geroprotector; mycotoxin; Penicillium metabolite; potassium channel blocker	0	0		low	0
versicolorin c	0	cyclic acetal; organic heteropentacyclic compound; p-quinones; polyphenol	Aspergillus metabolite	0	0		low	0
echinuline	0	2,5-diketopiperazines; indole alkaloid; indoles; olefinic compound	Aspergillus metabolite; marine metabolite; plant metabolite	0	0		low	0
n-acetyltyramine	0	acetamides; tyramines	animal metabolite; Aspergillus metabolite; bacterial metabolite; marine metabolite; quorum sensing inhibitor	0	0		low	0
asperlicin c	0	asperlicins; indoles; organic heterotetracyclic compound	Aspergillus metabolite; cholecystokinin antagonist	0	0		low	0
rubrofusarin B	0	aromatic ether; benzochromenone; naphtho-gamma-pyrone; phenols; polyketide	Aspergillus metabolite	0	0		low	0
3-hydroxyterphenyllin	0	catechols; dimethoxybenzene; para-terphenyl	Aspergillus metabolite	0	0		low	0
fonsecin	0	aromatic ether; cyclic hemiketal; heptaketide; naphtho-gamma-pyrone; phenols	Aspergillus metabolite; marine metabolite	0	0		low	0
pentostatin	0	coformycins	antimetabolite; antineoplastic agent; Aspergillus metabolite; bacterial metabolite; EC 3.5.4.4 (adenosine deaminase) inhibitor	0	0		low	0
ochratoxin a	0	isochromanes; monocarboxylic acid amide; N-acyl-L-phenylalanine; organochlorine compound; phenylalanine derivative	Aspergillus metabolite; calcium channel blocker; carcinogenic agent; mycotoxin; nephrotoxin; Penicillium metabolite; teratogenic agent	0	0		low	0
aphidicolin	0	tetracyclic diterpenoid	antimicrobial agent; antimitotic; antineoplastic agent; antiviral drug; apoptosis inducer; Aspergillus metabolite; DNA synthesis inhibitor; EC 2.7.7.7 (DNA-directed DNA polymerase) inhibitor; fungal metabolite	0	0		low	0
versicolorin a	0	cyclic acetal; organic heteropentacyclic compound; p-quinones; polyphenol	Aspergillus metabolite; carcinogenic agent	0	0		low	0
fumonisin b2	0	diester; diol; fumonisin; primary amino compound	Aspergillus metabolite; carcinogenic agent	0	0		low	0
adefovir	0	aromatic ether; aromatic ketone; biaryl; cyclic ketone; naphtho-gamma-pyrone; organooxygen heterocyclic antibiotic; polyphenol	antimalarial; Aspergillus metabolite; marine metabolite	0	0		low	0
phthioic acid	0	branched-chain saturated fatty acid; fatty acid 26:0; methyl-branched fatty acid; very long-chain fatty acid	Aspergillus metabolite; human metabolite	0	0		low	0
flavasperone	0	aromatic ether; naphtho-gamma-pyrone; phenols	acyl-CoA:cholesterol acyltransferase 2 inhibitor; antiviral agent; Aspergillus metabolite; marine metabolite	0	0		low	0
variecolin	0	enal; sesterterpenoid	Aspergillus metabolite	0	0		low	0
(11S,14S)-Cyclo-(L-Trp-L-Phe)	0	indoles	Aspergillus metabolite	0	0		low	0
estin	0	1-benzofurans; ether; methyl ester; organochlorine compound; oxaspiro compound; phenols	Aspergillus metabolite; Penicillium metabolite	0	0		low	0
emindole SB	0	terpenoid indole alkaloid	Aspergillus metabolite; marine metabolite; Penicillium metabolite	0	0		low	0
ustiloxin b	0	aromatic ether; heterodetic cyclic peptide; macrocycle; phenols; secondary alcohol; secondary carboxamide; sulfoxide	Aspergillus metabolite; microtubule-destabilising agent; mycotoxin	0	0		low	0
cerevisterol	0	3beta-hydroxy steroid; 5alpha-hydroxy steroid; 6beta-hydroxy steroid; ergostanoid	Aspergillus metabolite	0	0		low	0
fonsecinone a	0	aromatic ether; aromatic ketone; biaryl; cyclic ketone; naphtho-gamma-pyrone; polyphenol	antibacterial agent; Aspergillus metabolite	0	0		low	0
nigerloxin	0	aromatic ether; benzamides; benzoic acids; phenols; styrenes	antioxidant; Aspergillus metabolite; EC 1.1.1.21 (aldehyde reductase) inhibitor; lipoxygenase inhibitor; radical scavenger	0	0		low	0
verruculogen	0	aromatic ether; diol; indole alkaloid; organic heterohexacyclic compound; organic peroxide	Aspergillus metabolite; GABA modulator; mycotoxin; Penicillium metabolite; potassium channel blocker	0	0		low	0
monacolin l	0	2-pyranones; hexahydronaphthalenes; polyketide; secondary alcohol	anticholesteremic drug; Aspergillus metabolite; EC 1.1.1.34/EC 1.1.1.88 (hydroxymethylglutaryl-CoA reductase) inhibitor	0	0		low	0
pyranonigrin a	0	cyclic ketone; enol; gamma-lactam; pyranopyrrole; secondary alcohol	antioxidant; Aspergillus metabolite; marine metabolite	0	0		low	0
3,5-dimethylorsellinic acid	0	dihydroxybenzoic acid; resorcinols	Aspergillus metabolite	0	0		low	0
aspergillide b	0	bridged compound; cyclic ether; macrolide; secondary alcohol	antineoplastic agent; Aspergillus metabolite	0	0		low	0
6-methoxyspirotryprostatin b	0	aromatic ether; azaspiro compound; indole alkaloid; indolones	antineoplastic agent; Aspergillus metabolite	0	0		low	0
(+)-(7S)-sydonic acid	0	aromatic alcohol; monohydroxybenzoic acid; sesquiterpenoid	Aspergillus metabolite	0	0		low	0
fumonisin b4	0	diester; fumonisin; primary amino compound; secondary alcohol	Aspergillus metabolite	0	0		low	0
(E)-5-hydroxy-6-(3-methylbut-2-enyl)-2-(pent-1-enyl)benzofuran-4-carbaldehyde	0	1-benzofurans; aldehyde; phenols	Aspergillus metabolite; Chaetomium metabolite; radical scavenger	0	0		low	0
aspirochlorine	0	organic heterotetracyclic compound	Aspergillus metabolite	0	0		low	0
fumimycin	0	1-benzofurans; dicarboxylic acid monoamide; gamma-lactone; monocarboxylic acid; polyphenol	antibacterial agent; Aspergillus metabolite; EC 3.5.1.88 (peptide deformylase) inhibitor	0	0		low	0
aspulvinone E	0	4-hydroxy-5-(4-hydroxybenzylidene)-3-(4-hydroxyphenyl)furan-2(5H)-one; aspulvinone	antiviral agent; Aspergillus metabolite; EC 3.2.1.20 (alpha-glucosidase) inhibitor; marine metabolite	0	0		low	0
aspergillide a	0	bridged compound; cyclic ether; macrolide; secondary alcohol	antineoplastic agent; Aspergillus metabolite	0	0		low	0
asperparaline a	0	alkaloid; azaspiro compound; dicarboximide	Aspergillus metabolite	0	0		low	0
chrysogine	0	cyclic amide; quinazoline alkaloid; quinazolines; secondary alcohol; secondary amide	Aspergillus metabolite; biological pigment; marine metabolite	0	0		low	0

Substance	Classes	Roles	Relationship Strength
ambrein	tertiary alcohol; triterpenoid	hypoglycemic agent; mammalian metabolite	low
tert-butyl alcohol	tertiary alcohol	human xenobiotic metabolite	low
3-tert-butyl-4-hydroxyanisole	aromatic ether; phenols	antioxidant; human xenobiotic metabolite	low
2-phenyl-2-propanol	benzyl alcohols; tertiary alcohol	human xenobiotic metabolite; Mycoplasma genitalium metabolite	low
phenoxyacetic acid	aromatic ether; monocarboxylic acid	allergen; Aspergillus metabolite; human xenobiotic metabolite; plant growth retardant	low
aflatoxin q1	aflatoxin; aromatic ether; aromatic ketone	carcinogenic agent; human xenobiotic metabolite	low
hydroxypioglitazone	aromatic ether; pyridines; thiazolidinediones	human xenobiotic metabolite	low
riddelliine n-oxide	diol; macrocyclic lactone; olefinic compound; organic heterotricyclic compound; primary alcohol; pyrrolizine alkaloid; tertiary alcohol; tertiary amine oxide	carcinogenic agent; genotoxin; human xenobiotic metabolite; Jacobaea metabolite; mutagen; rat metabolite	low
paxilline	diterpene alkaloid; enone; organic heterohexacyclic compound; terpenoid indole alkaloid; tertiary alcohol	anticonvulsant; Aspergillus metabolite; EC 3.6.3.8 (Ca(2+)-transporting ATPase) inhibitor; genotoxin; geroprotector; mycotoxin; Penicillium metabolite; potassium channel blocker	low
rubrofusarin B	aromatic ether; benzochromenone; naphtho-gamma-pyrone; phenols; polyketide	Aspergillus metabolite	low
fonsecin	aromatic ether; cyclic hemiketal; heptaketide; naphtho-gamma-pyrone; phenols	Aspergillus metabolite; marine metabolite	low
adefovir	aromatic ether; aromatic ketone; biaryl; cyclic ketone; naphtho-gamma-pyrone; organooxygen heterocyclic antibiotic; polyphenol	antimalarial; Aspergillus metabolite; marine metabolite	low
flavasperone	aromatic ether; naphtho-gamma-pyrone; phenols	acyl-CoA:cholesterol acyltransferase 2 inhibitor; antiviral agent; Aspergillus metabolite; marine metabolite	low
ustiloxin b	aromatic ether; heterodetic cyclic peptide; macrocycle; phenols; secondary alcohol; secondary carboxamide; sulfoxide	Aspergillus metabolite; microtubule-destabilising agent; mycotoxin	low
fonsecinone a	aromatic ether; aromatic ketone; biaryl; cyclic ketone; naphtho-gamma-pyrone; polyphenol	antibacterial agent; Aspergillus metabolite	low
nigerloxin	aromatic ether; benzamides; benzoic acids; phenols; styrenes	antioxidant; Aspergillus metabolite; EC 1.1.1.21 (aldehyde reductase) inhibitor; lipoxygenase inhibitor; radical scavenger	low
verruculogen	aromatic ether; diol; indole alkaloid; organic heterohexacyclic compound; organic peroxide	Aspergillus metabolite; GABA modulator; mycotoxin; Penicillium metabolite; potassium channel blocker	low
6-methoxyspirotryprostatin b	aromatic ether; azaspiro compound; indole alkaloid; indolones	antineoplastic agent; Aspergillus metabolite	low

Substance	Studies	Classes	Roles	First Year	Last Year	Average Age	Relationship Strength	Trials	pre-1990	1990's	2000's	2010's	post-2020
ammonium hydroxide	1	azane; gas molecular entity; mononuclear parent hydride	EC 3.5.1.4 (amidase) inhibitor; metabolite; mouse metabolite; neurotoxin; NMR chemical shift reference compound; nucleophilic reagent; refrigerant	1994	1994	30.0	low	0	0	1	0	0	0
cadaverine	1	alkane-alpha,omega-diamine	Daphnia magna metabolite; Escherichia coli metabolite; mouse metabolite; plant metabolite	2021	2021	3.0	low	0	0	0	0	0	1
methane	4	alkane; gas molecular entity; mononuclear parent hydride; one-carbon compound	bacterial metabolite; fossil fuel; greenhouse gas	2007	2021	9.0	low	1	0	0	1	2	1
3-hydroxybutyric acid	1	(omega-1)-hydroxy fatty acid; 3-hydroxy monocarboxylic acid; hydroxybutyric acid	human metabolite	2007	2007	17.0	low	1	0	0	1	0	0
lactic acid	1	2-hydroxy monocarboxylic acid	algal metabolite; Daphnia magna metabolite	2002	2002	22.0	low	0	0	0	1	0	0
dihydroxyphenylalanine	1	hydroxyphenylalanine; non-proteinogenic alpha-amino acid; tyrosine derivative	human metabolite	2007	2007	17.0	low	1	0	0	1	0	0
methanol	1	alkyl alcohol; one-carbon compound; primary alcohol; volatile organic compound	amphiprotic solvent; Escherichia coli metabolite; fuel; human metabolite; mouse metabolite; Mycoplasma genitalium metabolite	1993	1993	31.0	low	0	0	1	0	0	0
propionic acid	1	saturated fatty acid; short-chain fatty acid	antifungal drug	2006	2006	18.0	low	0	0	0	1	0	0
2,2'-dipyridyl	1	bipyridine	chelator; ferroptosis inhibitor	2017	2017	7.0	low	0	0	0	0	1	0
3-methylcholanthrene	1	ortho- and peri-fused polycyclic arene	aryl hydrocarbon receptor agonist; carcinogenic agent	1982	1982	42.0	low	0	1	0	0	0	0
3-nitropropionic acid	1	C-nitro compound	antimycobacterial drug; EC 1.3.5.1 [succinate dehydrogenase (quinone)] inhibitor; mycotoxin; neurotoxin	1999	1999	25.0	low	0	0	1	0	0	0
acetazolamide	1	monocarboxylic acid amide; sulfonamide; thiadiazoles	anticonvulsant; diuretic; EC 4.2.1.1 (carbonic anhydrase) inhibitor	2007	2007	17.0	low	1	0	0	1	0	0
benzo(a)pyrene	1	ortho- and peri-fused polycyclic arene	carcinogenic agent; mouse metabolite	1985	1985	39.0	low	0	1	0	0	0	0
beta-naphthoflavone	7	extended flavonoid; naphtho-gamma-pyrone; organic heterotricyclic compound	aryl hydrocarbon receptor agonist	1982	1997	35.0	low	0	4	3	0	0	0
dichlorvos	1	alkenyl phosphate; dialkyl phosphate; organochlorine acaricide; organophosphate insecticide	anthelminthic drug; antibacterial agent; antifungal agent; EC 3.1.1.7 (acetylcholinesterase) inhibitor; EC 3.1.1.8 (cholinesterase) inhibitor	1985	1985	39.0	low	0	1	0	0	0	0
dipalmitoylphosphatidic acid	1	phosphatidic acid		1998	1998	26.0	low	0	0	1	0	0	0
erythrosine	2			2014	2017	8.5	low	0	0	0	0	2	0
gentamicin	1			2022	2022	2.0	low	0	0	0	0	0	1
ketoconazole	1	dichlorobenzene; dioxolane; ether; imidazoles; N-acylpiperazine; N-arylpiperazine		2000	2000	24.0	low	0	0	1	0	0	0
lauric acid	1	medium-chain fatty acid; straight-chain saturated fatty acid	algal metabolite; antibacterial agent; plant metabolite	1995	1995	29.0	low	0	0	1	0	0	0
patulin	1	furopyran; gamma-lactone; lactol	antimicrobial agent; Aspergillus metabolite; carcinogenic agent; mutagen; mycotoxin; Penicillium metabolite	2006	2006	18.0	low	0	0	0	1	0	0
phenobarbital	2	barbiturates	anticonvulsant; drug allergen; excitatory amino acid antagonist; sedative	1982	1982	42.0	low	0	2	0	0	0	0
proadifen	1	diarylmethane		1992	1992	32.0	low	0	0	1	0	0	0
chloramphenicol	7	C-nitro compound; carboxamide; diol; organochlorine compound	antibacterial drug; antimicrobial agent; Escherichia coli metabolite; geroprotector; Mycoplasma genitalium metabolite; protein synthesis inhibitor	2011	2023	4.9	low	0	0	0	0	4	3
lysine	4	aspartate family amino acid; L-alpha-amino acid zwitterion; L-alpha-amino acid; lysine; organic molecular entity; proteinogenic amino acid	algal metabolite; anticonvulsant; Escherichia coli metabolite; human metabolite; micronutrient; mouse metabolite; nutraceutical; plant metabolite; Saccharomyces cerevisiae metabolite	2016	2021	6.0	low	1	0	0	0	3	1
kanamycin a	1	kanamycins	bacterial metabolite	2020	2020	4.0	low	0	0	0	0	1	0
edetic acid	1	ethylenediamine derivative; polyamino carboxylic acid; tetracarboxylic acid	anticoagulant; antidote; chelator; copper chelator; geroprotector	2007	2007	17.0	low	1	0	0	1	0	0
lactose	2	lactose		2003	2016	14.5	low	0	0	0	1	1	0
chloroform	1	chloromethanes; one-carbon compound	carcinogenic agent; central nervous system drug; inhalation anaesthetic; non-polar solvent; refrigerant	1993	1993	31.0	low	0	0	1	0	0	0
dithionitrobenzoic acid	1	nitrobenzoic acid; organic disulfide	indicator	2011	2011	13.0	low	0	0	0	0	1	0
2-tert-butyl-4-hydroxyanisole	1	aromatic ether; phenols		1989	1989	35.0	low	0	1	0	0	0	0
methyl acrylate	1	enoate ester		2007	2007	17.0	low	1	0	0	1	0	0
melamine	1	triamino-1,3,5-triazine	xenobiotic metabolite	2016	2016	8.0	low	0	0	0	0	1	0
thiophenes	4	mancude organic heteromonocyclic parent; monocyclic heteroarene; thiophenes; volatile organic compound	non-polar solvent	1996	2008	21.5	low	0	0	2	2	0	0
heptanol	1	heptanol; primary alcohol	flavouring agent; fragrance; gap junctional intercellular communication inhibitor; plant metabolite	2015	2015	9.0	low	0	0	0	0	1	0
syringaldehyde	1	dimethoxybenzene; hydroxybenzaldehyde	hypoglycemic agent; plant metabolite	2016	2016	8.0	low	0	0	0	0	1	0
perylene	1	ortho- and peri-fused polycyclic arene; perylenes		2018	2018	6.0	low	0	0	0	0	1	0
thiazoles	1	1,3-thiazoles; mancude organic heteromonocyclic parent; monocyclic heteroarene		2015	2015	9.0	low	0	0	0	0	1	0
pyrazines	4	diazine; pyrazines	Daphnia magna metabolite	1996	2008	21.5	low	0	0	2	2	0	0
phloretic acid	1	hydroxy monocarboxylic acid	plant metabolite	2010	2010	14.0	low	0	0	0	1	0	0
luminol	2			2017	2018	6.5	low	0	0	0	0	2	0
alpha-naphthoflavone	3	extended flavonoid; naphtho-gamma-pyrone; organic heterotricyclic compound	aryl hydrocarbon receptor agonist; aryl hydrocarbon receptor antagonist; EC 1.14.14.14 (aromatase) inhibitor	1992	2000	28.3	low	0	0	3	0	0	0
hydroxyethyl methacrylate	1	enoate ester	allergen; polymerisation monomer	2016	2016	8.0	low	0	0	0	0	1	0
deoxycytidine	1	pyrimidine 2'-deoxyribonucleoside	Escherichia coli metabolite; human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite	2007	2007	17.0	low	1	0	0	1	0	0
d-alpha tocopherol	1	alpha-tocopherol	algal metabolite; antiatherogenic agent; anticoagulant; antioxidant; antiviral agent; EC 2.7.11.13 (protein kinase C) inhibitor; immunomodulator; micronutrient; nutraceutical; plant metabolite	2010	2010	14.0	low	0	0	0	1	0	0
tetrachloroisophthalonitrile	1	aromatic fungicide; dinitrile; tetrachlorobenzene	antifungal agrochemical	2007	2007	17.0	low	1	0	0	1	0	0
thioflavin t	1	organic chloride salt	fluorochrome; geroprotector; histological dye	2015	2015	9.0	low	0	0	0	0	1	0
acetosyringone	1	acetophenones; dimethoxybenzene; phenols	anti-asthmatic drug; non-narcotic analgesic; non-steroidal anti-inflammatory drug; peripheral nervous system drug; plant metabolite	2016	2016	8.0	low	0	0	0	0	1	0
polyethylene glycol 300	1	poly(ethylene glycol)		2016	2016	8.0	low	0	0	0	0	1	0
fluorescein-5-isothiocyanate	1	fluorescein isothiocyanate		2017	2017	7.0	low	0	0	0	0	1	0
sabinene	1	thujene	plant metabolite	1981	1981	43.0	low	0	1	0	0	0	0
calcium propionate	1	dicarboxylic acid		2006	2006	18.0	low	0	0	0	1	0	0
ochratoxin b	2	isochromanes; monocarboxylic acid; N-acyl-L-phenylalanine; phenylalanine derivative	Aspergillus metabolite; calcium channel blocker; mycotoxin; Penicillium metabolite	2015	2015	9.0	low	0	0	0	0	2	0
1-hydroxypyrene	1	pyrenes		2020	2020	4.0	low	0	0	0	0	1	0
mercury	1	elemental mercury; zinc group element atom	neurotoxin	2007	2007	17.0	low	1	0	0	1	0	0
palladium	1	metal allergen; nickel group element atom; platinum group metal atom		2017	2017	7.0	low	0	0	0	0	1	0
platinum	1	elemental platinum; nickel group element atom; platinum group metal atom		2020	2020	4.0	low	0	0	0	0	1	0
ruthenium	1	iron group element atom; platinum group metal atom		2017	2017	7.0	low	0	0	0	0	1	0
silver	6	copper group element atom; elemental silver	Escherichia coli metabolite	2009	2022	8.0	low	0	0	0	2	3	1
titanium	1	titanium group element atom		2007	2007	17.0	low	1	0	0	1	0	0
cadmium	1	cadmium molecular entity; zinc group element atom		2007	2007	17.0	low	1	0	0	1	0	0
gold	16	copper group element atom; elemental gold		2009	2023	6.8	low	0	0	0	2	11	3
copper sulfate	1	metal sulfate	emetic; fertilizer; sensitiser	2007	2007	17.0	low	1	0	0	1	0	0
ozone	1	elemental molecule; gas molecular entity; reactive oxygen species; triatomic oxygen	antiseptic drug; disinfectant; electrophilic reagent; greenhouse gas; mutagen; oxidising agent; tracer	2020	2020	4.0	low	0	0	0	0	1	0
deoxynivalenol	6	cyclic ketone; enone; primary alcohol; secondary alpha-hydroxy ketone; trichothecene; triol	mycotoxin	2006	2019	11.0	low	0	0	0	2	4	0
chlorodiphenyl (54% chlorine)	3			1984	1997	35.0	low	0	2	1	0	0	0
oltipraz	4	1,2-dithiole; pyrazines	angiogenesis modulating agent; antimutagen; antineoplastic agent; antioxidant; EC 3.1.3.48 (protein-tyrosine-phosphatase) inhibitor; neurotoxin; protective agent; schistosomicide drug	1996	2008	21.5	low	0	0	2	2	0	0
florisil	1			1994	1994	30.0	low	0	0	1	0	0	0
diacetylfluorescein	1			2014	2014	10.0	low	0	0	0	0	1	0
cadmium telluride	1			2013	2013	11.0	low	0	0	0	0	1	0
cobalt	1	cobalt group element atom; metal allergen	micronutrient	2007	2007	17.0	low	1	0	0	1	0	0
aflatoxicol	16			1982	2022	33.1	high	0	10	3	2	0	1
aflatoxin b1-2,3-oxide	1	aflatoxin	human metabolite	1990	1990	34.0	low	0	0	1	0	0	0
aflatoxin q1	12	aflatoxin; aromatic ether; aromatic ketone	carcinogenic agent; human xenobiotic metabolite	1982	2017	29.5	high	0	3	7	1	1	0
o-methylsterigmatocystin	1	sterigmatocystins		1990	1990	34.0	low	0	0	1	0	0	0
bifendate	1			2002	2002	22.0	low	0	0	0	1	0	0
4-carboxyfluorescein	1	monocarboxylic acid	fluorochrome	2017	2017	7.0	low	0	0	0	0	1	0
5-chloro-8-hydroxy-3,4-dihydro-3-methylisocoumarin-7-carboxylic acid	1			2010	2010	14.0	low	0	0	0	1	0	0
proline	2	amino acid zwitterion; glutamine family amino acid; L-alpha-amino acid; proline; proteinogenic amino acid	algal metabolite; compatible osmolytes; Escherichia coli metabolite; micronutrient; mouse metabolite; nutraceutical; Saccharomyces cerevisiae metabolite	2018	2019	5.5	low	0	0	0	0	2	0
firemaster bp-6	1			1984	1984	40.0	low	0	1	0	0	0	0
7,8-dihydroxy-9,10-epoxy-8-methyl-7,8,9,10-tetrahydrobenzo(a)pyrene	1			1989	1989	35.0	low	0	1	0	0	0	0
biotin	1	biotins; vitamin B7	coenzyme; cofactor; Escherichia coli metabolite; fundamental metabolite; human metabolite; mouse metabolite; nutraceutical; prosthetic group; Saccharomyces cerevisiae metabolite	2022	2022	2.0	low	0	0	0	0	0	1
aflatoxin b1	174	aflatoxin; aromatic ether; aromatic ketone	carcinogenic agent; human metabolite	1980	2023	21.9	high	4	52	24	35	47	16
nsc 141537	1	trichothecene		2014	2014	10.0	low	0	0	0	0	1	0
ochratoxin a	33	isochromanes; monocarboxylic acid amide; N-acyl-L-phenylalanine; organochlorine compound; phenylalanine derivative	Aspergillus metabolite; calcium channel blocker; carcinogenic agent; mycotoxin; nephrotoxin; Penicillium metabolite; teratogenic agent	2002	2023	9.5	low	0	0	0	10	17	6
alpha-cyclodextrin	1	cyclodextrin		2018	2018	6.0	low	0	0	0	0	1	0
resveratrol	2	resveratrol	antioxidant; phytoalexin; plant metabolite; quorum sensing inhibitor; radical scavenger	2007	2019	11.0	low	1	0	0	1	1	0
retinol	1	retinol; vitamin A	human metabolite; mouse metabolite; plant metabolite	2010	2010	14.0	low	0	0	0	1	0	0
oleic acid	1	octadec-9-enoic acid	antioxidant; Daphnia galeata metabolite; EC 3.1.1.1 (carboxylesterase) inhibitor; Escherichia coli metabolite; mouse metabolite; plant metabolite; solvent	2015	2015	9.0	low	0	0	0	0	1	0
cocaine	1	benzoate ester; methyl ester; tertiary amino compound; tropane alkaloid	adrenergic uptake inhibitor; central nervous system stimulant; dopamine uptake inhibitor; environmental contaminant; local anaesthetic; mouse metabolite; plant metabolite; serotonin uptake inhibitor; sodium channel blocker; sympathomimetic agent; vasoconstrictor agent; xenobiotic	2002	2002	22.0	low	0	0	0	1	0	0
mycophenolic acid	1	2-benzofurans; gamma-lactone; monocarboxylic acid; phenols	anticoronaviral agent; antimicrobial agent; antineoplastic agent; EC 1.1.1.205 (IMP dehydrogenase) inhibitor; environmental contaminant; immunosuppressive agent; mycotoxin; Penicillium metabolite; xenobiotic	2005	2005	19.0	low	0	0	0	1	0	0
5-fluoro-2'-deoxycytidine	1			2007	2007	17.0	low	1	0	0	1	0	0
versicolorin a	1	cyclic acetal; organic heteropentacyclic compound; p-quinones; polyphenol	Aspergillus metabolite; carcinogenic agent	1990	1990	34.0	low	0	0	1	0	0	0
curcumin	3	aromatic ether; beta-diketone; diarylheptanoid; enone; polyphenol	anti-inflammatory agent; antifungal agent; antineoplastic agent; biological pigment; contraceptive drug; dye; EC 1.1.1.205 (IMP dehydrogenase) inhibitor; EC 1.1.1.21 (aldehyde reductase) inhibitor; EC 1.1.1.25 (shikimate dehydrogenase) inhibitor; EC 1.6.5.2 [NAD(P)H dehydrogenase (quinone)] inhibitor; EC 1.8.1.9 (thioredoxin reductase) inhibitor; EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor; EC 3.5.1.98 (histone deacetylase) inhibitor; flavouring agent; food colouring; geroprotector; hepatoprotective agent; immunomodulator; iron chelator; ligand; lipoxygenase inhibitor; metabolite; neuroprotective agent; nutraceutical; radical scavenger	2015	2019	7.7	low	0	0	0	0	3	0
curcumin	4	aromatic ether; beta-diketone; diarylheptanoid; enone; polyphenol	anti-inflammatory agent; antifungal agent; antineoplastic agent; biological pigment; contraceptive drug; dye; EC 1.1.1.205 (IMP dehydrogenase) inhibitor; EC 1.1.1.21 (aldehyde reductase) inhibitor; EC 1.1.1.25 (shikimate dehydrogenase) inhibitor; EC 1.6.5.2 [NAD(P)H dehydrogenase (quinone)] inhibitor; EC 1.8.1.9 (thioredoxin reductase) inhibitor; EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor; EC 3.5.1.98 (histone deacetylase) inhibitor; flavouring agent; food colouring; geroprotector; hepatoprotective agent; immunomodulator; iron chelator; ligand; lipoxygenase inhibitor; metabolite; neuroprotective agent; nutraceutical; radical scavenger	2015	2022	6.2	low	0	0	0	0	3	1
penicillic acid	1			2005	2005	19.0	low	0	0	0	1	0	0
aflatoxin b	16	aflatoxin		1981	2017	25.5	medium	0	6	2	4	4	0
aflatoxin g2	8	coumarins		1985	2014	21.9	low	0	1	2	3	2	0
fumonisin b1	1	diester; fumonisin; primary amino compound; triol	carcinogenic agent; metabolite	2013	2013	11.0	low	0	0	0	0	1	0
nadp	3			1990	2000	30.0	low	0	0	3	0	0	0
zeranol	2	macrolide		2013	2014	10.5	low	0	0	0	0	2	0
laccase	2			2016	2017	7.5	low	0	0	0	0	2	0
cobaltous chloride	1	cobalt salt; inorganic chloride	allergen; calcium channel blocker; sensitiser; two-colour indicator	2007	2007	17.0	low	1	0	0	1	0	0
silicon nitride	2			2016	2019	6.5	low	0	0	0	0	2	0
ovalbumin	1			1995	1995	29.0	low	0	0	1	0	0	0
quercetin	1	7-hydroxyflavonol; pentahydroxyflavone	antibacterial agent; antineoplastic agent; antioxidant; Aurora kinase inhibitor; chelator; EC 1.10.99.2 [ribosyldihydronicotinamide dehydrogenase (quinone)] inhibitor; geroprotector; phytoestrogen; plant metabolite; protein kinase inhibitor; radical scavenger	2019	2019	5.0	low	0	0	0	0	1	0
dinoprost	1	monocarboxylic acid; prostaglandins Falpha	human metabolite; mouse metabolite	2020	2020	4.0	low	0	0	0	0	1	0
sterigmatocystin	2	sterigmatocystins	metabolite	1985	1990	36.5	low	0	1	1	0	0	0
ubiquinone 9	1	ubiquinones	antioxidant; human metabolite	2007	2007	17.0	low	1	0	0	1	0	0
zearalenone	10	macrolide; resorcinols	fungal metabolite; mycoestrogen	1999	2023	8.7	low	0	0	1	1	6	2
8-epi-prostaglandin f2alpha	1	F2-isoprostane	biomarker; bronchoconstrictor agent; vasoconstrictor agent	2020	2020	4.0	low	0	0	0	0	1	0
lysophosphatidylcholines	1	1-O-acyl-sn-glycero-3-phosphocholine		2021	2021	3.0	low	0	0	0	0	0	1
lead	2	carbon group element atom; elemental lead; metal atom	neurotoxin	2015	2015	9.0	low	0	0	0	0	2	0
aluminum	1	boron group element atom; elemental aluminium; metal atom		2021	2021	3.0	low	0	0	0	0	0	1
boron	1	boron group element atom; metalloid atom; nonmetal atom	micronutrient	2015	2015	9.0	low	0	0	0	0	1	0
2,2'-azino-di-(3-ethylbenzothiazoline)-6-sulfonic acid	1			2016	2016	8.0	low	0	0	0	0	1	0
aflatoxin p1	5	furanocoumarin		1989	2007	28.2	high	0	1	3	1	0	0
zearalenol	2			2013	2014	10.5	low	0	0	0	0	2	0
roquefortine	1	pyrroloindole		2005	2005	19.0	low	0	0	0	1	0	0
tellurium	1	chalcogen; metalloid atom		2013	2013	11.0	low	0	0	0	0	1	0
zeolites	1			1991	1991	33.0	low	0	0	1	0	0	0
tetramethylrhodamine	1	xanthene dye		2021	2021	3.0	low	0	0	0	0	0	1
aluminum oxide	1			2018	2018	6.0	low	0	0	0	0	1	0
dextrothyroxine	1			2016	2016	8.0	low	0	0	0	0	1	0
tetrahydrouridine	1			2007	2007	17.0	low	1	0	0	1	0	0
aflatoxin g1	12			1982	2014	26.2	low	0	4	2	3	3	0
nad	1	organophosphate oxoanion	cofactor; human metabolite; hydrogen acceptor; Saccharomyces cerevisiae metabolite	2000	2000	24.0	low	0	0	1	0	0	0
glycoprotein e2, hepatitis c virus	1			2007	2007	17.0	low	1	0	0	1	0	0
oligonucleotides	1			2018	2018	6.0	low	0	0	0	0	1	0
phosphatidylcholines	1	1,2-diacyl-sn-glycero-3-phosphocholine		1998	1998	26.0	low	0	0	1	0	0	0
chlorophyll a	1	chlorophyll; methyl ester	cofactor	2016	2016	8.0	low	1	0	0	0	1	0
ubiquinone	1			2007	2007	17.0	low	1	0	0	1	0	0
lucifer yellow	1	organic lithium salt	fluorochrome	2017	2017	7.0	low	0	0	0	0	1	0
egg white	1			2022	2022	2.0	low	0	0	0	0	0	1
mannans	1			2005	2005	19.0	low	0	0	0	1	0	0
interleukin-8	1			2014	2014	10.0	low	0	0	0	0	1	0
oxytetracycline, anhydrous	1			2022	2022	2.0	low	0	0	0	0	0	1
clay	1			2016	2016	8.0	low	1	0	0	0	1	0
brine	2			2006	2009	16.5	low	0	0	0	2	0	0
agar	1			1987	1987	37.0	low	0	1	0	0	0	0
cyclin d1	1			2021	2021	3.0	low	0	0	0	0	0	1
caseins	3			1982	2007	25.3	low	0	1	0	2	0	0
praliciguat	1	aminopyrimidine; isoxazoles; monofluorobenzenes; organofluorine compound; pyrazoles; secondary amino compound; tertiary alcohol	anti-inflammatory agent; antihypertensive agent; soluble guanylate cyclase activator; vasodilator agent	2007	2007	17.0	low	1	0	0	1	0	0
t-2 toxin	1			2012	2012	12.0	low	0	0	0	0	1	0
moxidectin	1			2016	2016	8.0	low	0	0	0	0	1	0
lactoferrin	1			2021	2021	3.0	low	0	0	0	0	0	1
perlite	1			2018	2018	6.0	low	0	0	0	0	1	0
exudates	3			2012	2018	8.7	low	1	0	0	0	3	0
guanine	4	2-aminopurines; oxopurine; purine nucleobase	algal metabolite; Escherichia coli metabolite; human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite	2003	2021	12.8	low	0	0	0	2	1	1
8-hydroxy-2'-deoxyguanosine	1	guanosines	biomarker	2020	2020	4.0	low	0	0	0	0	1	0
2,3-dihydro-2-(n(7)-guanyl)-3-hydroxyaflatoxin b1	2			2005	2016	13.5	low	0	0	0	1	1	0
avermectin	1			2016	2016	8.0	low	0	0	0	0	1	0
aflatoxin m2	12			1981	2019	22.8	high	0	4	1	2	5	0

Condition	Studies	First Year	Last Year	Average Age	Relationship Strength	Trials	pre-1990	1990's	2000's	2010's	post-2020
Acute Disease	1	1986	1986	38.0	low	0	1	0	0	0	0
Acute Kidney Failure	1	2019	2019	5.0	low	0	0	0	0	1	0
Acute Kidney Injury	1	2019	2019	5.0	low	0	0	0	0	1	0
Acute Liver Injury, Drug-Induced	2	2002	2022	12.0	low	0	0	0	1	0	1
Anemia, Splenic	1	2007	2007	17.0	low	1	0	0	1	0	0
Benign Neoplasms	5	1985	2023	13.6	low	1	1	0	1	2	1
Birth Weight	2	2004	2008	18.0	low	0	0	0	2	0	0
Body Weight	8	1982	2021	19.4	low	0	2	1	2	1	2
Breast Cancer	2	2007	2007	17.0	low	2	0	0	2	0	0
Breast Neoplasms	2	2007	2007	17.0	low	2	0	0	2	0	0
Cancer of Colon	1	2007	2007	17.0	low	1	0	0	1	0	0
Cancer of Intestines	2	1987	2016	22.5	low	0	1	0	0	1	0
Cancer of Liver	19	1984	2023	18.7	low	1	2	6	3	5	3
Cancer of Pancreas	1	2007	2007	17.0	low	1	0	0	1	0	0
Cancer of Prostate	2	2007	2007	17.0	low	2	0	0	2	0	0
Cancer of Stomach	2	2007	2007	17.0	low	2	0	0	2	0	0
Cancer of the Urinary Tract	1	2007	2007	17.0	low	1	0	0	1	0	0
Carcinogenesis	2	2019	2023	3.0	low	0	0	0	0	1	1
Carcinoma, Hepatocellular	7	1990	2023	12.9	low	0	0	2	1	2	2
Carcinoma, Transitional Cell	1	2007	2007	17.0	low	1	0	0	1	0	0
Cardiometabolic Syndrome	1	2007	2007	17.0	low	1	0	0	1	0	0
Cells, Neoplasm Circulating	1	2007	2007	17.0	low	1	0	0	1	0	0
Chemical and Drug Induced Liver Injury	2	2002	2022	12.0	low	0	0	0	1	0	1
Chronic Hepatitis B	1	1999	1999	25.0	low	0	0	1	0	0	0
Chronic Kidney Failure	1	2004	2004	20.0	low	0	0	0	1	0	0
Cirrhosis, Liver	1	2007	2007	17.0	low	0	0	0	1	0	0
Colonic Neoplasms	1	2007	2007	17.0	low	1	0	0	1	0	0
Communicable Diseases	1	2004	2004	20.0	low	0	0	0	1	0	0
Complication, Postoperative	2	2007	2007	17.0	low	2	0	0	2	0	0
Condition, Preneoplastic	2	1987	2021	20.0	low	0	1	0	0	0	1
Delayed Hypersensitivity	1	2018	2018	6.0	low	0	0	0	0	1	0
Dental Tissue Neoplasms	1	1987	1987	37.0	low	0	1	0	0	0	0
Diabetes Mellitus, Adult-Onset	1	2021	2021	3.0	low	0	0	0	0	0	1
Diabetes Mellitus, Type 2	1	2021	2021	3.0	low	0	0	0	0	0	1
Disease Models, Animal	3	2002	2022	13.7	low	1	0	0	2	0	1
Ergot Poisoning	1	1999	1999	25.0	low	0	0	1	0	0	0
Experimental Hepatoma	6	1984	1997	33.5	low	0	3	3	0	0	0
Fatty Liver with Encephalopathy	1	1999	1999	25.0	low	0	0	1	0	0	0
Fatty Liver, Nonalcoholic	1	2007	2007	17.0	low	1	0	0	1	0	0
Food Poisoning	1	1999	1999	25.0	low	0	0	1	0	0	0
Fungus Poisoning	2	1996	1999	26.5	low	0	0	2	0	0	0
Gastric Outlet Obstruction	1	2007	2007	17.0	low	1	0	0	1	0	0
Glial Cell Tumors	1	2007	2007	17.0	low	1	0	0	1	0	0
Glioma	1	2007	2007	17.0	low	1	0	0	1	0	0
Growth Disorders	1	2018	2018	6.0	low	0	0	0	0	1	0
Helicobacter Infections	1	2007	2007	17.0	low	1	0	0	1	0	0
Hepatitis B	3	1984	2005	30.3	low	0	1	1	1	0	0
Hepatitis B Virus Infection	3	1984	2005	30.3	low	0	1	1	1	0	0
Hepatitis B, Chronic	1	1999	1999	25.0	low	0	0	1	0	0	0
Hepatitis C	1	2010	2010	14.0	low	0	0	0	1	0	0
Hepatitis, Viral, Non-A, Non-B, Parenterally-Transmitted	1	2010	2010	14.0	low	0	0	0	1	0	0
Hepatoblastoma	1	2018	2018	6.0	low	0	0	0	0	1	0
Hepatocellular Carcinoma	7	1990	2023	12.9	low	0	0	2	1	2	2
Icterus	1	2004	2004	20.0	low	0	0	0	1	0	0
Infant, Newborn, Diseases	1	2004	2004	20.0	low	0	0	0	1	0	0
Infection, Postoperative Wound	1	2007	2007	17.0	low	1	0	0	1	0	0
Infections, Helicobacter	1	2007	2007	17.0	low	1	0	0	1	0	0
Infections, Plasmodium	1	2007	2007	17.0	low	1	0	0	1	0	0
Infectious Diseases	1	2004	2004	20.0	low	0	0	0	1	0	0
Inflammation	1	2022	2022	2.0	low	0	0	0	0	0	1
Innate Inflammatory Response	1	2022	2022	2.0	low	0	0	0	0	0	1
Intestinal Neoplasms	2	1987	2016	22.5	low	0	1	0	0	1	0
Invasiveness, Neoplasm	1	2007	2007	17.0	low	1	0	0	1	0	0
Jaundice	1	2004	2004	20.0	low	0	0	0	1	0	0
Kidney Diseases	1	2021	2021	3.0	low	0	0	0	0	0	1
Kidney Failure, Chronic	1	2004	2004	20.0	low	0	0	0	1	0	0
Kwashiorkor	4	1982	1999	34.8	low	0	2	2	0	0	0
Leanness	1	2007	2007	17.0	low	1	0	0	1	0	0
Lipid Metabolism Disorders	1	2023	2023	1.0	low	0	0	0	0	0	1
Liver Cirrhosis	1	2007	2007	17.0	low	0	0	0	1	0	0
Liver Diseases	2	1993	2016	19.5	low	0	0	1	0	1	0
Liver Dysfunction	2	1993	2016	19.5	low	0	0	1	0	1	0
Liver Neoplasms	19	1984	2023	18.7	low	1	2	6	3	5	3
Local Neoplasm Recurrence	2	2007	2007	17.0	low	2	0	0	2	0	0
Malaria	1	2007	2007	17.0	low	1	0	0	1	0	0
Marasmus	3	1982	1990	38.0	low	0	2	1	0	0	0
Maxillary Neoplasms	1	1987	1987	37.0	low	0	1	0	0	0	0
Metabolic Syndrome	1	2007	2007	17.0	low	1	0	0	1	0	0
Morbid Obesity	2	2007	2007	17.0	low	2	0	0	2	0	0
Muscle Contraction	1	1986	1986	38.0	low	0	1	0	0	0	0
Neoplasms	5	1985	2023	13.6	low	1	1	0	1	2	1
Non-alcoholic Fatty Liver Disease	1	2007	2007	17.0	low	1	0	0	1	0	0
Obesity	1	2007	2007	17.0	low	1	0	0	1	0	0
Obesity, Morbid	2	2007	2007	17.0	low	2	0	0	2	0	0
Pancreatic Neoplasms	1	2007	2007	17.0	low	1	0	0	1	0	0
Poisoning	1	2012	2012	12.0	low	0	0	0	0	1	0
Postoperative Complications	2	2007	2007	17.0	low	2	0	0	2	0	0
Precancerous Conditions	2	1987	2021	20.0	low	0	1	0	0	0	1
Pregnancy	15	1980	2022	27.1	low	1	7	1	4	2	1
Prostatic Neoplasms	2	2007	2007	17.0	low	2	0	0	2	0	0
Protein-Energy Malnutrition	3	1982	1990	38.0	low	0	2	1	0	0	0
Sensitivity and Specificity	22	1995	2020	14.0	low	0	0	1	11	10	0
Stomach Neoplasms	2	2007	2007	17.0	low	2	0	0	2	0	0
Stunted Growth	1	2018	2018	6.0	low	0	0	0	0	1	0
Thrombocytopenia	1	2007	2007	17.0	low	1	0	0	1	0	0
Thrombopenia	1	2007	2007	17.0	low	1	0	0	1	0	0

Safety/Toxicity (24)

Article	Year
Mycotoxins in Raw Bovine Milk: UHPLC-QTrap-MS/MS Method as a Biosafety Control Tool. Toxins, , 02-24, Volume: 15, Issue:3	2023
Compliance between Food and Feed Safety: Eight-Year Survey (2013-2021) of Aflatoxin M1 in Raw Milk and Aflatoxin B1 in Feed in Northern Italy. Toxins, , 02-21, Volume: 15, Issue:3	2023
Multi-Omics Reveal Additive Cytotoxicity Effects of Aflatoxin B1 and Aflatoxin M1 toward Intestinal NCM460 Cells. Toxins, , 05-25, Volume: 14, Issue:6	2022
Gasdermin D-mediated microglial pyroptosis exacerbates neurotoxicity of aflatoxins B1 and M1 in mouse primary microglia and neuronal cultures. Neurotoxicology, , Volume: 91	2022
Metabolomic Analysis Reveals the Mechanisms of Hepatotoxicity Induced by Aflatoxin M1 and Ochratoxin A. Toxins, , 02-15, Volume: 14, Issue:2	2022
Transcriptomic and proteomic profiling reveals the intestinal immunotoxicity induced by aflatoxin M1 and ochratoxin A. Toxicon : official journal of the International Society on Toxinology, , Volume: 180	2020
Modulation of aflatoxin B1 cytotoxicity and aflatoxin M1 synthesis by natural antioxidants in a bovine mammary epithelial cell line. Toxicology in vitro : an international journal published in association with BIBRA, , Volume: 57	2019
The Toxic Effects of Aflatoxin B1 and Aflatoxin M1 on Kidney through Regulating L-Proline and Downstream Apoptosis. BioMed research international, , Volume: 2018	2018
Aflatoxin M1 cytotoxicity against human intestinal Caco-2 cells is enhanced in the presence of other mycotoxins. Food and chemical toxicology : an international journal published for the British Industrial Biological Research Association, , Volume: 96	2016
Curcumin Protects β-Lactoglobulin Fibril Formation and Fibril-Induced Neurotoxicity in PC12 Cells. PloS one, , Volume: 10, Issue:7	2015
Aflatoxin B1 and aflatoxin M1 induced cytotoxicity and DNA damage in differentiated and undifferentiated Caco-2 cells. Food and chemical toxicology : an international journal published for the British Industrial Biological Research Association, , Volume: 83	2015
Potential preventive role of lactic acid bacteria against aflatoxin M₁ immunotoxicity and genotoxicity in mice. Journal of immunotoxicology, , Volume: 12, Issue:2
Ability of Lactobacillus rhamnosus GAF01 to remove AFM1 in vitro and to counteract AFM1 immunotoxicity in vivo. Journal of immunotoxicology, , Volume: 10, Issue:3
Comparative in vitro and ex-vivo myelotoxicity of aflatoxins B1 and M1 on haematopoietic progenitors (BFU-E, CFU-E, and CFU-GM): species-related susceptibility. Toxicology in vitro : an international journal published in association with BIBRA, , Volume: 24, Issue:1	2010
A clonal cell line (BME-UV1) as a possible model to study bovine mammary epithelial metabolism: metabolism and cytotoxicity of aflatoxin B1. Toxicon : official journal of the International Society on Toxinology, , Mar-15, Volume: 53, Issue:4	2009
Interlaboratory study of the Charm ROSA Safe Level Aflatoxin M1 Quantitative lateral flow test for raw bovine milk. Journal of AOAC International, , Volume: 89, Issue:5
Aflatoxin M1 absorption and cytotoxicity on human intestinal in vitro model. Toxicon : official journal of the International Society on Toxinology, , Mar-15, Volume: 47, Issue:4	2006
Effects of dimethyl diphenyl bicarboxylate on the metabolism and hepatotoxicity of aflatoxin B1 in rats. Yao xue xue bao = Acta pharmaceutica Sinica, , Volume: 37, Issue:10	2002
Cytochrome P450-mediated metabolism and cytotoxicity of aflatoxin B(1) in bovine hepatocytes. Toxicology in vitro : an international journal published in association with BIBRA, , Volume: 14, Issue:4	2000
Metabolism and toxicity of aflatoxins M1 and B1 in human-derived in vitro systems. Toxicology and applied pharmacology, , Volume: 151, Issue:1	1998
DNA-damaging potency and genotoxicity of aflatoxin M1 in somatic cells in vivo of Drosophila melanogaster. Mutagenesis, , Volume: 10, Issue:3	1995
[Relay toxicity of aflatoxin M1 in powdered milk. Medium term study on ducklings]. Comptes rendus de l'Academie des sciences. Serie III, Sciences de la vie, , Volume: 298, Issue:13	1984
[Determination of aflatoxin M1 in milk and proof of its toxicity in chick embryos]. Veterinarni medicina, , Volume: 28, Issue:1	1983
The 'carry-over' of aflatoxin into milk of cows fed ammoniated rations: use of an HPLC method and a genotoxicity test for determining milk safety. Food additives and contaminants, , Volume: 2, Issue:3

Long-term Use (1)

Article	Year
Aflatoxin residues in eggs of laying Japanese quail after long-term administration of rations containing low levels of aflatoxin B1. Food additives and contaminants, , Volume: 20, Issue:7	2003

Bioavailability (1)

Article	Year
Bioavailability of aflatoxin B Journal of dairy science, , Volume: 99, Issue:12	2016

Dosage (12)

Article	Year
Effects of 3 sequestering agents on milk aflatoxin M1 concentration and the performance and immune status of dairy cows fed diets artificially contaminated with aflatoxin B1. Journal of dairy science, , Volume: 99, Issue:8	2016
Excretion pattern of aflatoxin M1 in milk of goats fed a single dose of aflatoxin B1. Journal of dairy science, , Volume: 95, Issue:5	2012
Excretion of aflatoxin M1 in milk of dairy ewes treated with different doses of aflatoxin B1. Journal of dairy science, , Volume: 86, Issue:8	2003
Use of an improved method for analysis of urinary aflatoxin M1 in a survey of mainland China and Taiwan. Cancer epidemiology, biomarkers & prevention : a publication of the American Association for Cancer Research, cosponsored by the American Society of Preventive Oncology, , Volume: 6, Issue:7	1997
Hydrated sodium calcium aluminosilicate (HSCAS), acidic HSCAS, and activated charcoal reduce urinary excretion of aflatoxin M1 in turkey poults. Lack of effect by activated charcoal on aflatoxicosis. Toxicology letters, , Dec-16, Volume: 89, Issue:2	1996
Inhibition of aflatoxin Ml excretion in rat urine during dietary intervention with oltipraz. Carcinogenesis, , Volume: 17, Issue:6	1996
Some effects of phenobarbital dosing of dairy cattle on aflatoxin M1 and fat in milk. Journal of dairy science, , Volume: 65, Issue:7	1982
Kinetics of transformation of aflatoxin B1 into aflatoxin M1 in lactating mouse: an ELISA analysis. Experientia, , Jul-15, Volume: 38, Issue:7	1982
Absorption and distribution patterns of aflatoxicol and aflatoxins B1 and M1 in blood and milk of cows given aflatoxin B1. American journal of veterinary research, , Volume: 44, Issue:9	1983
Fractionation of radioactivity in the milk of goats administered 14C-aflatoxin B1. Journal - Association of Official Analytical Chemists, , Volume: 68, Issue:3
Clinical and pathologic changes in acute bovine aflatoxicosis: rumen motility and tissue and fluid concentrations of aflatoxins B1 and M1. American journal of veterinary research, , Volume: 47, Issue:8	1986
Effects on aflatoxin M1 residues in milk by addition of hydrated sodium calcium aluminosilicate to aflatoxin-contaminated diets of dairy cows. American journal of veterinary research, , Volume: 52, Issue:9	1991