succinic acid profile

Succinic Acid: A water-soluble, colorless crystal with an acid taste that is used as a chemical intermediate, in medicine, the manufacture of lacquers, and to make perfume esters. It is also used in foods as a sequestrant, buffer, and a neutralizing agent. (Hawley's Condensed Chemical Dictionary, 12th ed, p1099; McGraw-Hill Dictionary of Scientific and Technical Terms, 4th ed, p1851) [Medical Subject Headings (MeSH), National Library of Medicine, extracted Dec-2023]

succinic acid : An alpha,omega-dicarboxylic acid resulting from the formal oxidation of each of the terminal methyl groups of butane to the corresponding carboxy group. It is an intermediate metabolite in the citric acid cycle. [Chemical Entities of Biological Interest (ChEBI), Hastings J, Owen G, Dekker A, Ennis M, Kale N, Muthukrishnan V, Turner S, Swainston N, Mendes P, Steinbeck C. (2016). ChEBI in 2016: Improved services and an expanding collection of metabolites. Nucleic Acids Res]

Pathways (147)

succinic acid is involved in 147 pathway(s), involving a total of 2429 unique proteins and 5003 unique compounds

ID Source	ID
PubMed CID	1110
CHEMBL ID	576
CHEBI ID	15741
MeSH ID	M0029380

Synonym
succinate, 9
bdbm26121
succinic acid, 6
e363
acidum succinicum
butandisaeure
hooc-ch2-ch2-cooh
CHEBI:15741 ,
acide succinique
bernsteinsaeure
acide butanedioique
butanedioic acid diammonium salt
nsc-25949
NSC25949 ,
LMFA01170043
succinic acid, puriss. p.a., acs reagent, >=99.5% (t)
SIN ,
wormwood acid
asuccin
1,2-ethanedicarboxylic acid
katasuccin
butanedioic acid
bernsteinsaure
dihydrofumaric acid
nsc-106449
nsc106449
110-15-6
succinic acid
amber acid
wormwood
wln: qv2vq
inchi=1/c4h6o4/c5-3(6)1-2-4(7)8/h1-2h2,(h,5,6)(h,7,8
1,4-butanedioic acid (succinic acid)
ethylene dicarboxylic acid
a 12084
butanedioic acid (9ci)
ai3-06297
hsdb 791
succinic acid (8ci)
1,4-butanedioic acid
succ
SUC ,
ethylenesuccinic acid
C00042
butanedionic acid
succinic acid, bioxtra, >=99.0%
succinic acid, reagentplus(r), >=99.0%
succinic acid, natural
succinic acid, fcc
succinic acid, bioreagent, suitable for cell culture, suitable for insect cell culture
NCGC00159372-02
1CZE
DB00139
succinic acid, acs reagent, >=99.0%
NCGC00159372-03
einecs 203-740-4
bernsteinsaure [german]
brn 1754069
kyselina jantarova [czech]
nsc 106449
1,2 ethanedicarboxylic acid
1,4 butanedioic acid
STK387105
37E8FFFB-70DA-4399-B724-476BD8715EF0
AKOS000118899
fema no. 4719
succinicum acidum
CHEMBL576
BMSE000183
FT-0652509
S0100
NCGC00159372-04
NCGC00159372-05
BBL002473
unii-ab6mnq6j6l
kyselina jantarova
4-02-00-01908 (beilstein handbook reference)
ec 203-740-4
ab6mnq6j6l ,
succinic acid [nf]
dtxcid303602
tox21_303247
NCGC00257092-01
dtxsid6023602 ,
cas-110-15-6
tox21_201918
tox21_111612
NCGC00259467-01
BMSE000968
succinellite
ethylene succinic acid
ethanedicarboxylic acid
sal succini
S3791
butane diacid
succinic acid [who-dd]
adipic acid impurity b [ep impurity]
succinicum acidum [hpus]
succinic acid [mi]
succinic acid [fcc]
succinic acid [hsdb]
succinic acid [usp impurity]
succinic acid [vandf]
succinic acid [ii]
succinic acid [mart.]
succinic acid [usp-rs]
succinic acid [inci]
4LH2
butanedioic acid-13c4
butanedioic acid-1,4-13c2
gtpl3637
BP-21128
AB01332192-02
tox21_111612_1
Z57127453
mfcd00002789
succinicate
J-002386
F2191-0239
succinic acid, anhydrous, free-flowing, redi-dri(tm), acs reagent, >=99.0%
succinic acid, matrix substance for maldi-ms, >=99.5% (t), ultra pure
1,4-butandioic acid
succinicacid(industrialgrade&foodgrade)
SR-01000944556-2
sr-01000944556
succinic acid, saj special grade, >=99.5%
succinic acid, purum p.a., >=99.0% (t)
succinic acid, 99%
succinic acid, united states pharmacopeia (usp) reference standard
succinic acid, saj first grade, >=99.0%
succinic acid, certified reference material, tracecert(r)
succinic acid, acs grade
succinic acid, vetec(tm) reagent grade, 98%
succinic acid, pharmaceutical secondary standard; certified reference material
succinic acid, p.a., acs reagent, 99.0%
succinic acid, >=99%, fcc, fg
succinic acid; butanedioic acid
CS-0008946
1,4-butanedioate
dihydrofumarate
1,2-ethanedicarboxylate
HY-N0420
FT-0773657
butandisaure
succinic acide,(s)
Q213050
A14596
EN300-17990
succinic-acid
succinic acid high purity grade 2.5kg
STR02803
HMS3885O04
CCG-266069
D85169
NCGC00159372-06
26776-24-9
succinic acid (butanedioic acid)
adipic acid impurity b (ep impurity)
succinic acid (usp impurity)
succinic acid (ii)
succinic acid (mart.)

Excerpt	Reference
"Succinic acid is a focal point for cancer treatments not only for its apoptotic success on cancer cells but also for its capacity to be metabolically active for humans."	( Cakmakoglu, B; Ertugrul, B; Iplik, ES; Kasarci, G, 2021)
"Succinic acid (SA) is a top platform chemical obtainable from biomass. "	( Binod, P; Castro, E; Coulon, F; Durgapal, S; Kumar, G; Kumar, V; Narisetty, V; Oreoluwa Jokodola, E; Rajesh Banu, J; Sindhu, R, 2022)
"Succinic acid is a potential biomarker of SDH related pathologies for diagnostic, evaluation of treatment response and follow-up of the disease."	( Blondel, L; Broutin, S; Lamy, C; Mansard, C; Mercier, L; Paci, A, 2022)
"Succinic acid is a valuable bulk chemical, which has been extensively applied in food, medicine, surfactants and biodegradable plastics industries. "	( Cong, Y; Gao, H; Jiang, M; Li, J; Lu, J; Xin, F; Xu, H; Zhang, W; Zhou, D, 2021)
"Succinic acid (SA) is a well-established chemical building block. "	( Ferone, M; Marzocchella, A; Olivieri, G; Raganati, F; Salatino, P, 2017)
"Succinic acid is a four-carbon dicarboxylic acid, which has attracted much interest due to its abroad usage as a precursor of many industrially important chemicals in the food, chemicals, and pharmaceutical industries. "	( Dong, W; Jia, H; Jiang, M; Liang, L; Liu, R; Ma, J; Wu, M; Xin, F; Zhang, W, 2017)
"Succinic acid is a platform chemical that plays an important role as precursor for the synthesis of many valuable bio-based chemicals. "	( Bessa, D; Franco-Duarte, R; Gonçalves, F; Martins, R; Pais, C; Sampaio, P; Schuller, D; Silva-Ferreira, AC, 2017)
"Succinic acid is a platform chemical of recognized industrial value and accordingly faces a continuous challenge to enable manufacturing from most attractive raw materials. "	( Becker, J; Cahoreau, E; Haefner, S; Krawczyk, J; Lange, A; Portais, JC; Schröder, H; Schulze, D; Wittmann, C; Zelder, O, 2017)
"Succinic acid is a high value-added organic acid widely used in food, chemical and pesticide industries. "	( Gao, C; Zheng, Y, 2018)
"Succinic acid is an important platform chemical for synthesis of C4 compounds. "	( Sun, Z; Xu, Y; Yan, Q; Zhang, K; Zheng, P, 2013)
"Succinic acid is a specialty chemical having numerous applications in industrial, pharmaceutical and food uses. "	( Balzer, GJ; Bennett, GN; San, KY; Thakker, C, 2013)
"Succinic acid is an important C4 platform chemical in the synthesis of many commodity and special chemicals. "	( Huang, R; Liao, S; Mi, H; Qin, Y; Shen, N; Wang, Q; Xie, N; Zhu, Q, 2013)
"Succinic acid is an important precursor for the synthesis of high-value-added products. "	( Liu, Y; Wang, C; Xing, J; Yan, D; Yang, M; Zhou, J, 2014)
"Succinic acid is an important platform chemical that has broad applications and is been listed as one of the top twelve bio-based chemicals produced from biomass by the US Department of Energy. "	( Md Illias, R; Mienda, BS; Shamsir, MS, 2016)
"Succinic acid is an important platform chemical with a variety of applications. "	( Md Illias, R; Mienda, BS; Shamsir, MS, 2016)
"Succinic acid is an important C4-building chemical platform for many applications. "	( Czernecki, T; Jarocki, P; Kucharska, J; Nowak, A; Podleśny, M; Targoński, Z; Wyrostek, J, 2017)
"Succinic acid is a useful chemical and its purification from fermentation broth by ion-exchange resins has widely drawn attention. "	( Li, Q; Li, WL; Liu, BB; Liu, QF; Su, ZG; Tang, H; Wang, D; Xing, JM; Yang, MH, 2010)
"Succinic acid is a platform molecule that has recently generated considerable interests. "	( Li, Q; Siles, JA; Thompson, IP, 2010)
"Succinic acid is a building-block chemical which could be used as the precursor of many industrial products. "	( Li, HM; Tang, YJ; Zhu, LW; Zou, W, 2011)
"Succinic acid is a promising chemical which has a wide range of applications and can be biologically produced. "	( Cheng, KK; Liu, DH; Wu, RC; Xu, YZ; Zeng, J; Zhang, JA; Zhao, XB, 2012)
"Succinic acid is a highly sought after added-value chemical for which there is no native pre-disposition for production and accmulation in S."	( Cimini, D; Nielsen, J; Olsson, L; Otero, JM; Patil, KR; Poulsen, SG, 2013)
"Succinic acid is a four-carbon dicarboxylic acid produced as one of the fermentation products of anaerobic metabolism. "	( Lee, SJ; Lee, SY; Song, H, 2006)
"Succinic acid is an important C4 building block chemical for many applications."	( Jang, YS; Kim, JM; Kim, TY; Lee, JW; Lee, SY; Song, H, 2008)

Excerpt	Reference
"Succinic acid (SA) has been produced from rice straw (RS) and sugarcane bagasse (SB) as low-cost feedstocks in this study through sequential peracetic acid (PA) and alkaline peroxide (AP) pretreatment assisted by ultrasound and pre-hydrolysis followed by simultaneous saccharification and fermentation (PSSF). "	( Hermansyah, H; Perdani, MS; Pratiwi, SF; Putri, DN; Rosarina, D; Sahlan, M; Utami, TS, 2023)
"Succinic acid has no adverse effects because it is metabolized by body cells and has a role in the tricarboxylic acid cycle (TCA) as a cycle media component."	( Cakmakoglu, B; Catmakas, T; Iplik, ES, 2018)
"Succinic acid (SA) has been recognized as one of the most important bio-based building block chemicals due to its numerous potential applications. "	( Ferone, M; Marzocchella, A; Olivieri, G; Raganati, F, 2019)
"Succinic acid (SA) has become a prominent biobased platform chemical with global production quantities increasing annually. "	( Nicol, W; van Heerden, CD, 2013)
"Succinic acid (SA) has been recognized as one of the most important bio-based building block chemicals due to its numerous potential applications. "	( Ahn, JH; Jang, YS; Lee, SY, 2016)
"Succinic acid has received a great deal of attention as an important green chemical stock for the manufacture of synthetic resins, biodegradable polymers and chemical intermediates. "	( Dong, J; Liu, Y; Ni, Y; Sun, Z; Wei, P; Zheng, P, 2008)
"Succinic acid amides have been found to be effective P2-P3 scaffold replacements for peptidic ICE inhibitors. "	( Allen, H; Brady, K; Caprathe, B; Galatsis, P; Gilmore, J; Harter, W; Kostlan, C; Linn, K; Lunney, E; Rubin, J; Sheehan, S; Stankovic, C; Talanian, R; Thomas, A, 2010)
"Succinic acid has drawn much interest as a precursor of many industrially important chemicals. "	( Bennett, GN; San, KY; Wang, J; Zhu, J, 2011)
"Succinic Acid has some positive biological properties."	( Belikova, TV; Odin, VI; Pushkova, ES, 2002)

Excerpt	Reference
"The succinic acid prevented the increase of cholesterol, triglyceride and low density lipoproteins in the blood."	( Avruschenko, MS; Gulyaeva, NV; Gurvitch, AM; Lazareva, NA; Mutuskina, EA; Onufriev, MV; Pylova, SI; Stepanichev, MY; Trubina, IE; Volkov, AV; Zarzhetsky, YV, 1997)

Excerpt	Reference
"Succinic acid-treated ispaghula husk can be used as an economical hydrophilic matrixing agent."	( Amin, AF; Chhabaria, MT; Gohel, MC; Lalwani, AN; Panchal, MK, 2000)

Role	Description
nutraceutical	A product in capsule, tablet or liquid form that provide essential nutrients, such as a vitamin, an essential mineral, a protein, an herb, or similar nutritional substance.
radiation protective agent	Any compound that is able to protect normal cells from the damage caused by radiation therapy.
anti-ulcer drug	One of various classes of drugs with different action mechanisms used to treat or ameliorate peptic ulcer or irritation of the gastrointestinal tract.
micronutrient	Any nutrient required in small quantities by organisms throughout their life in order to orchestrate a range of physiological functions.
fundamental metabolite	Any metabolite produced by all living cells.
[role information is derived from Chemical Entities of Biological Interest (ChEBI), Hastings J, Owen G, Dekker A, Ennis M, Kale N, Muthukrishnan V, Turner S, Swainston N, Mendes P, Steinbeck C. (2016). ChEBI in 2016: Improved services and an expanding collection of metabolites. Nucleic Acids Res]

Class	Description
alpha,omega-dicarboxylic acid
C4-dicarboxylic acid	Any dicarboxylic acid that contains four carbon atoms.
[compound class information is derived from Chemical Entities of Biological Interest (ChEBI), Hastings J, Owen G, Dekker A, Ennis M, Kale N, Muthukrishnan V, Turner S, Swainston N, Mendes P, Steinbeck C. (2016). ChEBI in 2016: Improved services and an expanding collection of metabolites. Nucleic Acids Res]

Pathway	Proteins	Compounds
Cellular response to hypoxia	62	4
Oxygen-dependent asparagine hydroxylation of Hypoxia-inducible Factor Alpha	1	4
Citric Acid Cycle	21	27
Arginine and Proline Metabolism	20	47
Glutamate Metabolism	22	44
Ketone Body Metabolism	4	13
Valine, Leucine, and Isoleucine Degradation	28	52
Oxidation of Branched-Chain Fatty Acids	11	22
Mitochondrial Electron Transport Chain	20	16
Butyrate Metabolism	7	18
Carnitine Synthesis	5	17
Phytanic Acid Peroxisomal Oxidation	6	20
beta-Ketothiolase Deficiency	28	52
2-Methyl-3-hydroxybutyryl-CoA Dehydrogenase Deficiency	28	52
Propionic Acidemia	28	52
3-Hydroxy-3-methylglutaryl-CoA Lyase Deficiency	28	52
Maple Syrup Urine Disease	28	52
3-Methylcrotonyl-CoA Carboxylase Deficiency Type I	28	52
3-Methylglutaconic Aciduria Type I	28	52
3-Methylglutaconic Aciduria Type III	28	52
Methylmalonate Semialdehyde Dehydrogenase Deficiency	28	52
Methylmalonic Aciduria	28	52
4-Hydroxybutyric Aciduria/Succinic Semialdehyde Dehydrogenase Deficiency	22	44
Homocarnosinosis	22	44
Hyperinsulinism-Hyperammonemia Syndrome	22	44
Prolidase Deficiency (PD)	20	47
Arginine: Glycine Amidinotransferase Deficiency (AGAT Deficiency)	20	47
Hyperprolinemia Type II	20	47
Hyperprolinemia Type I	20	47
Prolinemia Type II	20	47
Guanidinoacetate Methyltransferase Deficiency (GAMT Deficiency)	20	47
Ornithine Aminotransferase Deficiency (OAT Deficiency)	20	47
Isovaleric Aciduria	28	52
Refsum Disease	6	20
2-Hydroxyglutric Aciduria (D and L Form)	22	44
3-Methylglutaconic Aciduria Type IV	28	52
Creatine Deficiency, Guanidinoacetate Methyltransferase Deficiency	20	47
Hyperornithinemia with Gyrate Atrophy (HOGA)	20	47
Hyperornithinemia-Hyperammonemia-Homocitrullinuria [HHH-syndrome]	20	47
L-Arginine:Glycine Amidinotransferase Deficiency	20	47
3-Hydroxyisobutyric Acid Dehydrogenase Deficiency	28	52
3-Hydroxyisobutyric Aciduria	28	52
Isobutyryl-CoA Dehydrogenase Deficiency	28	52
Isovaleric Acidemia	28	52
Congenital Lactic Acidosis	21	27
Fumarase Deficiency	21	27
Mitochondrial Complex II Deficiency	21	27
2-Ketoglutarate Dehydrogenase Complex Deficiency	21	27
Pyruvate Dehydrogenase Deficiency (E3)	21	27
Pyruvate Dehydrogenase Deficiency (E2)	21	27
Succinic Semialdehyde Dehydrogenase Deficiency	22	44
Succinyl CoA: 3-Ketoacid CoA Transferase Deficiency	4	13
Warburg Effect	46	52
Lysine Biosynthesis	19	24
Taurine Metabolism	4	12
TCA Cycle	18	25
Inner Membrane Transport	78	62
L-Glutamate Metabolism	24	20
Arginine Metabolism	28	48
Ornithine Metabolism	16	31
Methionine Biosynthesis	10	18
Gluconeogenesis from L-Malic Acid	20	24
Oxidative Phosphorylation	26	9
Sulfur Metabolism	28	33
Sulfur Metabolism (Butanesulfonate)	28	34
Sulfur Metabolism (Propanesulfonate)	28	34
Sulfur Metabolism (Ethanesulfonate)	28	34
Sulfur Metabolism (Isethionate)	28	34
Sulfur Metabolism (Methanesulfonate)	28	34
Secondary Metabolites: Glyoxylate Cycle	7	15
TCA cycle (ubiquinol-2)	18	24
TCA cycle (ubiquinol-3)	18	23
TCA cycle (ubiquinol-4)	18	24
TCA cycle (ubiquinol-5)	18	23
TCA cycle (ubiquinol-6)	18	25
TCA cycle (ubiquinol-7)	18	25
TCA cycle (ubiquinol-8)	18	25
TCA cycle (ubiquinol-9)	18	23
TCA cycle (ubiquinol-10)	18	24
Taurine Metabolism I	4	12
2-Oxopent-4-enoate Metabolism	17	25
Glycolate and Glyoxylate Degradation II	12	21
TCA cycle (ubiquinol-0)	18	25
2-Oxopent-4-enoate Metabolism 2	17	25
Propanoyl-CoA Degradation	3	12
Conversion of Succinate to Propanoate	3	7
4-Aminobutanoate Degradation I	3	9
The Oncogenic Action of 2-Hydroxyglutarate	27	34
The Oncogenic Action of Succinate	29	33
The Oncogenic Action of Fumarate	29	34
Glutaminolysis and Cancer	35	36
4-Aminobutanoate Degradation	2	9
Glyoxylate Cycle	6	13
The Oncogenic Action of L-2-Hydroxyglutarate in Hydroxyglutaric aciduria	28	35
The Oncogenic Action of D-2-Hydroxyglutarate in Hydroxyglutaric aciduria	29	36
Selenocompound Metabolism	9	23
Glutamic Acid Metabolism	13	17
Flavonoid Biosynthesis	11	50
Leucopelargonidin and Leucocyanidin Biosynthesis	3	14
Flavone and Flavonol Biosynthesis	6	27
Gibberellin Biosynthesis I (Early C-3 Hydroxylation)	3	13
Gibberellin Biosynthesis II (Early C-13 Hydroxylation)	3	14
Gibberellin Biosynthesis III (Non C-3, Non C-13 Hydroxylation)	3	14
Butanoate Metabolism	9	22
2-Methyl-3-hydroxybutryl-CoA Dehydrogenase Deficiency	29	52
Succinic acid + Ubiquinone = Fumaric acid + Ubiquinol ( Tyrosine metabolism )	2	4
Arginine and Proline metabolism ( Arginine and Proline metabolism )	42	55
Butanoate metabolism ( Butanoate metabolism )	15	18
Succinyl-CoA + Acetoacetic acid = Succinic acid + Acetoacetyl-CoA ( Valine,Leucine and Isoleucine degradation )	1	4
Citrate cycle ( Citrate cycle )	21	29
CoA + GTP + Succinic acid = Succinyl-CoA + GDP + Orthophosphate ( Citrate cycle )	2	6
CoA + ATP + Succinic acid = Succinyl-CoA + ADP + Orthophosphate ( Citrate cycle )	1	6
Glutamic acid and Glutamine metabolism ( Glutamic acid and Glutamine metabolism )	19	26
NAD+ + Succinate semialdehyde + H2O = NADH + Succinic acid ( Glutamic acid and Glutamine metabolism )	1	5
Lysine degradation ( Lysine degradation )	20	29
Valine,Leucine and Isoleucine degradation ( Valine,Leucine and Isoleucine degradation )	29	36
Amino acid metabolism pathway excerpt: histidine catabolism extension	0	16
Succinate Signalling	6	7
Succinate Signalling During Inflammation	13	7
Citrate Cycle	19	30
TCA Cycle (Ubiquinol-2)	4	24
TCA Cycle (Ubiquinol-3)	4	23
TCA Cycle (Ubiquinol-4)	4	24
TCA Cycle (Ubiquinol-5)	4	23
TCA Cycle (Ubiquinol-6)	4	25
TCA Cycle (Ubiquinol-7)	4	25
TCA Cycle (Ubiquinol-8)	4	25
TCA Cycle (Ubiquinol-9)	4	23
TCA Cycle (Ubiquinol-10)	4	24
TCA Cycle (Ubiquinol-0)	4	25
TCA cycle (plant)	1	21
TCA cycle variation I	7	19
aerobic respiration -- electron donors reaction list	3	14
aerobic respiration -- electron donor III	2	9
TCA cycle variation II	6	18
(5R)-carbapenem biosynthesis	2	5
methionine and methyl-donor-molecule biosynthesis	9	5
TCA cycle variation IV	16	9
aerobic respiration (cyanide insensitive, alternative oxidase) -- electron donors	0	6
aromatic compound degradation	0	8
TCA cycle, aerobic respiration	0	20
GABA degradation	0	9
aerobic respiration (cyanide sensitive) -- electron donors	0	6
Central carbon metabolism	0	19
TCA cycle	0	10
Electron transport chain	0	10
Principal pathways of carbon metabolism	0	7
Primary carbon metabolism	23	30
Krebs cycle	1	10
TCA cycle (Krebs cycle)	30	19
AtMetExpress overview	0	109
Alanine and aspartate metabolism	0	15
Electron transport chain: OXPHOS system in mitochondria	0	10
TCA cycle and deficiency of pyruvate dehydrogenase complex (PDHc)	0	15
Metabolism overview	0	78
Biochemical pathways: part I	0	466
Amino acid metabolism	0	94
TCA cycle (aka Krebs or citric acid cycle)	0	24

Protein	Taxonomy	Measurement	Average (µ)	Min (ref.)	Avg (ref.)	Max (ref.)	Bioassay(s)
Chain A, MAJOR APURINIC/APYRIMIDINIC ENDONUCLEASE	Homo sapiens (human)	Potency	0.0251	0.0032	45.4673	12,589.2998	AID2517
acetylcholinesterase	Homo sapiens (human)	Potency	0.7762	0.0025	41.7960	15,848.9004	AID1347398
RAR-related orphan receptor gamma	Mus musculus (house mouse)	Potency	6.3000	0.0060	38.0041	19,952.5996	AID1159521
TDP1 protein	Homo sapiens (human)	Potency	33.4983	0.0008	11.3822	44.6684	AID686979
GLI family zinc finger 3	Homo sapiens (human)	Potency	31.5749	0.0007	14.5928	83.7951	AID1259369
cytochrome P450 family 3 subfamily A polypeptide 4	Homo sapiens (human)	Potency	8.7090	0.0123	7.9835	43.2770	AID1645841
farnesoid X nuclear receptor	Homo sapiens (human)	Potency	61.6448	0.3758	27.4851	61.6524	AID743220
estrogen nuclear receptor alpha	Homo sapiens (human)	Potency	55.2252	0.0002	29.3054	16,493.5996	AID743079; AID743080
vitamin D (1,25- dihydroxyvitamin D3) receptor	Homo sapiens (human)	Potency	71.3046	0.0237	23.2282	63.5986	AID743223
lamin isoform A-delta10	Homo sapiens (human)	Potency	0.3162	0.8913	12.0676	28.1838	AID1487
Cellular tumor antigen p53	Homo sapiens (human)	Potency	1.4104	0.0023	19.5956	74.0614	AID651631
[prepared from compound, protein, and bioassay information from National Library of Medicine (NLM), extracted Dec-2023]

Protein	Taxonomy	Measurement	Average	Min (ref.)	Avg (ref.)	Max (ref.)	Bioassay(s)
Lysine-specific demethylase 4E	Homo sapiens (human)	IC50 (µMol)	710.0000	0.2000	1.9569	6.3096	AID1798635
Prolyl 4-hydroxylase	Paramecium bursaria Chlorella virus 1	IC50 (µMol)	1,000.0000	5.0000	6.2667	8.5000	AID1543452
Solute carrier family 13 member 3	Homo sapiens (human)	IC50 (µMol)	107.0000	107.0000	107.0000	107.0000	AID1794820
Egl nine homolog 1	Homo sapiens (human)	IC50 (µMol)	3,362.7667	0.0070	1.8614	8.0000	AID344926; AID446353; AID721521
[prepared from compound, protein, and bioassay information from National Library of Medicine (NLM), extracted Dec-2023]

Protein	Taxonomy	Measurement	Average	Min (ref.)	Avg (ref.)	Max (ref.)	Bioassay(s)
Chain A, Protein (aspartate Aminotransferase)	Escherichia coli	Kd	2,400.0000	1,500.0000	1,950.0000	2,400.0000	AID977611
Chain A, Aspartate Aminotransferase	Escherichia coli	Kd	2,400.0000	1,500.0000	1,950.0000	2,400.0000	AID977611
Egl nine homolog 1	Homo sapiens (human)	Kd	100.0000	0.4200	1.9586	3.4000	AID446352; AID446356
Methyl-accepting chemotaxis protein NahY	Pseudomonas putida	Kd	82.0000	8.5000	8.5000	8.5000	AID1799787
[prepared from compound, protein, and bioassay information from National Library of Medicine (NLM), extracted Dec-2023]

Protein	Taxonomy	Measurement	Average	Min (ref.)	Avg (ref.)	Max (ref.)	Bioassay(s)
[prepared from compound, protein, and bioassay information from National Library of Medicine (NLM), extracted Dec-2023]

Process	via Protein(s)	Taxonomy
regulation of gene expression	Lysine-specific demethylase 4E	Homo sapiens (human)
chromatin remodeling	Lysine-specific demethylase 4E	Homo sapiens (human)
negative regulation of cell population proliferation	Cellular tumor antigen p53	Homo sapiens (human)
regulation of cell cycle	Cellular tumor antigen p53	Homo sapiens (human)
regulation of cell cycle G2/M phase transition	Cellular tumor antigen p53	Homo sapiens (human)
DNA damage response	Cellular tumor antigen p53	Homo sapiens (human)
ER overload response	Cellular tumor antigen p53	Homo sapiens (human)
cellular response to glucose starvation	Cellular tumor antigen p53	Homo sapiens (human)
intrinsic apoptotic signaling pathway in response to DNA damage by p53 class mediator	Cellular tumor antigen p53	Homo sapiens (human)
regulation of apoptotic process	Cellular tumor antigen p53	Homo sapiens (human)
positive regulation of transcription by RNA polymerase II	Cellular tumor antigen p53	Homo sapiens (human)
positive regulation of miRNA transcription	Cellular tumor antigen p53	Homo sapiens (human)
negative regulation of transcription by RNA polymerase II	Cellular tumor antigen p53	Homo sapiens (human)
mitophagy	Cellular tumor antigen p53	Homo sapiens (human)
in utero embryonic development	Cellular tumor antigen p53	Homo sapiens (human)
somitogenesis	Cellular tumor antigen p53	Homo sapiens (human)
release of cytochrome c from mitochondria	Cellular tumor antigen p53	Homo sapiens (human)
hematopoietic progenitor cell differentiation	Cellular tumor antigen p53	Homo sapiens (human)
T cell proliferation involved in immune response	Cellular tumor antigen p53	Homo sapiens (human)
B cell lineage commitment	Cellular tumor antigen p53	Homo sapiens (human)
T cell lineage commitment	Cellular tumor antigen p53	Homo sapiens (human)
response to ischemia	Cellular tumor antigen p53	Homo sapiens (human)
nucleotide-excision repair	Cellular tumor antigen p53	Homo sapiens (human)
double-strand break repair	Cellular tumor antigen p53	Homo sapiens (human)
regulation of DNA-templated transcription	Cellular tumor antigen p53	Homo sapiens (human)
regulation of transcription by RNA polymerase II	Cellular tumor antigen p53	Homo sapiens (human)
protein import into nucleus	Cellular tumor antigen p53	Homo sapiens (human)
autophagy	Cellular tumor antigen p53	Homo sapiens (human)
DNA damage response	Cellular tumor antigen p53	Homo sapiens (human)
DNA damage response, signal transduction by p53 class mediator resulting in cell cycle arrest	Cellular tumor antigen p53	Homo sapiens (human)
DNA damage response, signal transduction by p53 class mediator resulting in transcription of p21 class mediator	Cellular tumor antigen p53	Homo sapiens (human)
transforming growth factor beta receptor signaling pathway	Cellular tumor antigen p53	Homo sapiens (human)
Ras protein signal transduction	Cellular tumor antigen p53	Homo sapiens (human)
gastrulation	Cellular tumor antigen p53	Homo sapiens (human)
neuroblast proliferation	Cellular tumor antigen p53	Homo sapiens (human)
negative regulation of neuroblast proliferation	Cellular tumor antigen p53	Homo sapiens (human)
protein localization	Cellular tumor antigen p53	Homo sapiens (human)
negative regulation of DNA replication	Cellular tumor antigen p53	Homo sapiens (human)
negative regulation of cell population proliferation	Cellular tumor antigen p53	Homo sapiens (human)
determination of adult lifespan	Cellular tumor antigen p53	Homo sapiens (human)
mRNA transcription	Cellular tumor antigen p53	Homo sapiens (human)
rRNA transcription	Cellular tumor antigen p53	Homo sapiens (human)
response to salt stress	Cellular tumor antigen p53	Homo sapiens (human)
response to inorganic substance	Cellular tumor antigen p53	Homo sapiens (human)
response to X-ray	Cellular tumor antigen p53	Homo sapiens (human)
response to gamma radiation	Cellular tumor antigen p53	Homo sapiens (human)
positive regulation of gene expression	Cellular tumor antigen p53	Homo sapiens (human)
cardiac muscle cell apoptotic process	Cellular tumor antigen p53	Homo sapiens (human)
positive regulation of cardiac muscle cell apoptotic process	Cellular tumor antigen p53	Homo sapiens (human)
glial cell proliferation	Cellular tumor antigen p53	Homo sapiens (human)
viral process	Cellular tumor antigen p53	Homo sapiens (human)
glucose catabolic process to lactate via pyruvate	Cellular tumor antigen p53	Homo sapiens (human)
cerebellum development	Cellular tumor antigen p53	Homo sapiens (human)
negative regulation of cell growth	Cellular tumor antigen p53	Homo sapiens (human)
DNA damage response, signal transduction by p53 class mediator	Cellular tumor antigen p53	Homo sapiens (human)
negative regulation of transforming growth factor beta receptor signaling pathway	Cellular tumor antigen p53	Homo sapiens (human)
mitotic G1 DNA damage checkpoint signaling	Cellular tumor antigen p53	Homo sapiens (human)
negative regulation of telomere maintenance via telomerase	Cellular tumor antigen p53	Homo sapiens (human)
T cell differentiation in thymus	Cellular tumor antigen p53	Homo sapiens (human)
tumor necrosis factor-mediated signaling pathway	Cellular tumor antigen p53	Homo sapiens (human)
regulation of tissue remodeling	Cellular tumor antigen p53	Homo sapiens (human)
cellular response to UV	Cellular tumor antigen p53	Homo sapiens (human)
multicellular organism growth	Cellular tumor antigen p53	Homo sapiens (human)
positive regulation of mitochondrial membrane permeability	Cellular tumor antigen p53	Homo sapiens (human)
cellular response to glucose starvation	Cellular tumor antigen p53	Homo sapiens (human)
intrinsic apoptotic signaling pathway in response to DNA damage by p53 class mediator	Cellular tumor antigen p53	Homo sapiens (human)
positive regulation of apoptotic process	Cellular tumor antigen p53	Homo sapiens (human)
negative regulation of apoptotic process	Cellular tumor antigen p53	Homo sapiens (human)
entrainment of circadian clock by photoperiod	Cellular tumor antigen p53	Homo sapiens (human)
mitochondrial DNA repair	Cellular tumor antigen p53	Homo sapiens (human)
regulation of DNA damage response, signal transduction by p53 class mediator	Cellular tumor antigen p53	Homo sapiens (human)
positive regulation of neuron apoptotic process	Cellular tumor antigen p53	Homo sapiens (human)
transcription initiation-coupled chromatin remodeling	Cellular tumor antigen p53	Homo sapiens (human)
negative regulation of proteolysis	Cellular tumor antigen p53	Homo sapiens (human)
negative regulation of DNA-templated transcription	Cellular tumor antigen p53	Homo sapiens (human)
positive regulation of DNA-templated transcription	Cellular tumor antigen p53	Homo sapiens (human)
positive regulation of RNA polymerase II transcription preinitiation complex assembly	Cellular tumor antigen p53	Homo sapiens (human)
positive regulation of transcription by RNA polymerase II	Cellular tumor antigen p53	Homo sapiens (human)
response to antibiotic	Cellular tumor antigen p53	Homo sapiens (human)
fibroblast proliferation	Cellular tumor antigen p53	Homo sapiens (human)
negative regulation of fibroblast proliferation	Cellular tumor antigen p53	Homo sapiens (human)
circadian behavior	Cellular tumor antigen p53	Homo sapiens (human)
bone marrow development	Cellular tumor antigen p53	Homo sapiens (human)
embryonic organ development	Cellular tumor antigen p53	Homo sapiens (human)
positive regulation of peptidyl-tyrosine phosphorylation	Cellular tumor antigen p53	Homo sapiens (human)
protein stabilization	Cellular tumor antigen p53	Homo sapiens (human)
negative regulation of helicase activity	Cellular tumor antigen p53	Homo sapiens (human)
protein tetramerization	Cellular tumor antigen p53	Homo sapiens (human)
chromosome organization	Cellular tumor antigen p53	Homo sapiens (human)
neuron apoptotic process	Cellular tumor antigen p53	Homo sapiens (human)
regulation of cell cycle	Cellular tumor antigen p53	Homo sapiens (human)
hematopoietic stem cell differentiation	Cellular tumor antigen p53	Homo sapiens (human)
negative regulation of glial cell proliferation	Cellular tumor antigen p53	Homo sapiens (human)
type II interferon-mediated signaling pathway	Cellular tumor antigen p53	Homo sapiens (human)
cardiac septum morphogenesis	Cellular tumor antigen p53	Homo sapiens (human)
positive regulation of programmed necrotic cell death	Cellular tumor antigen p53	Homo sapiens (human)
protein-containing complex assembly	Cellular tumor antigen p53	Homo sapiens (human)
intrinsic apoptotic signaling pathway in response to endoplasmic reticulum stress	Cellular tumor antigen p53	Homo sapiens (human)
thymocyte apoptotic process	Cellular tumor antigen p53	Homo sapiens (human)
positive regulation of thymocyte apoptotic process	Cellular tumor antigen p53	Homo sapiens (human)
necroptotic process	Cellular tumor antigen p53	Homo sapiens (human)
cellular response to hypoxia	Cellular tumor antigen p53	Homo sapiens (human)
cellular response to xenobiotic stimulus	Cellular tumor antigen p53	Homo sapiens (human)
cellular response to ionizing radiation	Cellular tumor antigen p53	Homo sapiens (human)
cellular response to gamma radiation	Cellular tumor antigen p53	Homo sapiens (human)
cellular response to UV-C	Cellular tumor antigen p53	Homo sapiens (human)
stem cell proliferation	Cellular tumor antigen p53	Homo sapiens (human)
signal transduction by p53 class mediator	Cellular tumor antigen p53	Homo sapiens (human)
intrinsic apoptotic signaling pathway by p53 class mediator	Cellular tumor antigen p53	Homo sapiens (human)
reactive oxygen species metabolic process	Cellular tumor antigen p53	Homo sapiens (human)
cellular response to actinomycin D	Cellular tumor antigen p53	Homo sapiens (human)
positive regulation of release of cytochrome c from mitochondria	Cellular tumor antigen p53	Homo sapiens (human)
cellular senescence	Cellular tumor antigen p53	Homo sapiens (human)
replicative senescence	Cellular tumor antigen p53	Homo sapiens (human)
oxidative stress-induced premature senescence	Cellular tumor antigen p53	Homo sapiens (human)
intrinsic apoptotic signaling pathway	Cellular tumor antigen p53	Homo sapiens (human)
oligodendrocyte apoptotic process	Cellular tumor antigen p53	Homo sapiens (human)
positive regulation of execution phase of apoptosis	Cellular tumor antigen p53	Homo sapiens (human)
negative regulation of mitophagy	Cellular tumor antigen p53	Homo sapiens (human)
regulation of mitochondrial membrane permeability involved in apoptotic process	Cellular tumor antigen p53	Homo sapiens (human)
regulation of intrinsic apoptotic signaling pathway by p53 class mediator	Cellular tumor antigen p53	Homo sapiens (human)
positive regulation of miRNA transcription	Cellular tumor antigen p53	Homo sapiens (human)
negative regulation of G1 to G0 transition	Cellular tumor antigen p53	Homo sapiens (human)
negative regulation of miRNA processing	Cellular tumor antigen p53	Homo sapiens (human)
negative regulation of glucose catabolic process to lactate via pyruvate	Cellular tumor antigen p53	Homo sapiens (human)
negative regulation of pentose-phosphate shunt	Cellular tumor antigen p53	Homo sapiens (human)
intrinsic apoptotic signaling pathway in response to hypoxia	Cellular tumor antigen p53	Homo sapiens (human)
regulation of fibroblast apoptotic process	Cellular tumor antigen p53	Homo sapiens (human)
negative regulation of reactive oxygen species metabolic process	Cellular tumor antigen p53	Homo sapiens (human)
positive regulation of reactive oxygen species metabolic process	Cellular tumor antigen p53	Homo sapiens (human)
negative regulation of stem cell proliferation	Cellular tumor antigen p53	Homo sapiens (human)
positive regulation of cellular senescence	Cellular tumor antigen p53	Homo sapiens (human)
positive regulation of intrinsic apoptotic signaling pathway	Cellular tumor antigen p53	Homo sapiens (human)
heme biosynthetic process	Delta-aminolevulinic acid dehydratase	Escherichia coli K-12
protoporphyrinogen IX biosynthetic process	Delta-aminolevulinic acid dehydratase	Escherichia coli K-12
heme biosynthetic process	Delta-aminolevulinic acid dehydratase	Escherichia coli K-12
tetrapyrrole biosynthetic process	Delta-aminolevulinic acid dehydratase	Escherichia coli K-12
proteolysis	N(4)-(beta-N-acetylglucosaminyl)-L-asparaginase	Homo sapiens (human)
protein deglycosylation	N(4)-(beta-N-acetylglucosaminyl)-L-asparaginase	Homo sapiens (human)
pyruvate metabolic process	NADP-dependent malic enzyme, mitochondrial	Homo sapiens (human)
malate metabolic process	NADP-dependent malic enzyme, mitochondrial	Homo sapiens (human)
aerobic respiration	NADP-dependent malic enzyme, mitochondrial	Homo sapiens (human)
oxygen metabolic process	NADP-dependent malic enzyme, mitochondrial	Homo sapiens (human)
dicarboxylic acid transport	Solute carrier family 13 member 3	Homo sapiens (human)
lipid transport	Solute carrier family 13 member 3	Homo sapiens (human)
alpha-ketoglutarate transport	Solute carrier family 13 member 3	Homo sapiens (human)
citrate transport	Solute carrier family 13 member 3	Homo sapiens (human)
glutathione transmembrane transport	Solute carrier family 13 member 3	Homo sapiens (human)
sodium ion transmembrane transport	Solute carrier family 13 member 3	Homo sapiens (human)
succinate transmembrane transport	Solute carrier family 13 member 3	Homo sapiens (human)
transport across blood-brain barrier	Solute carrier family 13 member 3	Homo sapiens (human)
response to hypoxia	Egl nine homolog 1	Homo sapiens (human)
intracellular iron ion homeostasis	Egl nine homolog 1	Homo sapiens (human)
intracellular oxygen homeostasis	Egl nine homolog 1	Homo sapiens (human)
negative regulation of DNA-binding transcription factor activity	Egl nine homolog 1	Homo sapiens (human)
regulation of angiogenesis	Egl nine homolog 1	Homo sapiens (human)
positive regulation of transcription by RNA polymerase II	Egl nine homolog 1	Homo sapiens (human)
negative regulation of cyclic-nucleotide phosphodiesterase activity	Egl nine homolog 1	Homo sapiens (human)
cardiac muscle tissue morphogenesis	Egl nine homolog 1	Homo sapiens (human)
heart trabecula formation	Egl nine homolog 1	Homo sapiens (human)
ventricular septum morphogenesis	Egl nine homolog 1	Homo sapiens (human)
labyrinthine layer development	Egl nine homolog 1	Homo sapiens (human)
response to nitric oxide	Egl nine homolog 1	Homo sapiens (human)
regulation of modification of postsynaptic structure	Egl nine homolog 1	Homo sapiens (human)
regulation protein catabolic process at postsynapse	Egl nine homolog 1	Homo sapiens (human)
peptidyl-proline hydroxylation to 4-hydroxy-L-proline	Egl nine homolog 1	Homo sapiens (human)
cellular response to hypoxia	Egl nine homolog 1	Homo sapiens (human)
[Information is prepared from geneontology information from the June-17-2024 release]

Process	via Protein(s)	Taxonomy
metal ion binding	Lysine-specific demethylase 4E	Homo sapiens (human)
histone H3K9me2/H3K9me3 demethylase activity	Lysine-specific demethylase 4E	Homo sapiens (human)
histone H3K9 demethylase activity	Lysine-specific demethylase 4E	Homo sapiens (human)
transcription cis-regulatory region binding	Cellular tumor antigen p53	Homo sapiens (human)
RNA polymerase II cis-regulatory region sequence-specific DNA binding	Cellular tumor antigen p53	Homo sapiens (human)
DNA-binding transcription factor activity, RNA polymerase II-specific	Cellular tumor antigen p53	Homo sapiens (human)
cis-regulatory region sequence-specific DNA binding	Cellular tumor antigen p53	Homo sapiens (human)
core promoter sequence-specific DNA binding	Cellular tumor antigen p53	Homo sapiens (human)
TFIID-class transcription factor complex binding	Cellular tumor antigen p53	Homo sapiens (human)
DNA-binding transcription repressor activity, RNA polymerase II-specific	Cellular tumor antigen p53	Homo sapiens (human)
DNA-binding transcription activator activity, RNA polymerase II-specific	Cellular tumor antigen p53	Homo sapiens (human)
protease binding	Cellular tumor antigen p53	Homo sapiens (human)
p53 binding	Cellular tumor antigen p53	Homo sapiens (human)
DNA binding	Cellular tumor antigen p53	Homo sapiens (human)
chromatin binding	Cellular tumor antigen p53	Homo sapiens (human)
DNA-binding transcription factor activity	Cellular tumor antigen p53	Homo sapiens (human)
mRNA 3'-UTR binding	Cellular tumor antigen p53	Homo sapiens (human)
copper ion binding	Cellular tumor antigen p53	Homo sapiens (human)
protein binding	Cellular tumor antigen p53	Homo sapiens (human)
zinc ion binding	Cellular tumor antigen p53	Homo sapiens (human)
enzyme binding	Cellular tumor antigen p53	Homo sapiens (human)
receptor tyrosine kinase binding	Cellular tumor antigen p53	Homo sapiens (human)
ubiquitin protein ligase binding	Cellular tumor antigen p53	Homo sapiens (human)
histone deacetylase regulator activity	Cellular tumor antigen p53	Homo sapiens (human)
ATP-dependent DNA/DNA annealing activity	Cellular tumor antigen p53	Homo sapiens (human)
identical protein binding	Cellular tumor antigen p53	Homo sapiens (human)
histone deacetylase binding	Cellular tumor antigen p53	Homo sapiens (human)
protein heterodimerization activity	Cellular tumor antigen p53	Homo sapiens (human)
protein-folding chaperone binding	Cellular tumor antigen p53	Homo sapiens (human)
protein phosphatase 2A binding	Cellular tumor antigen p53	Homo sapiens (human)
RNA polymerase II-specific DNA-binding transcription factor binding	Cellular tumor antigen p53	Homo sapiens (human)
14-3-3 protein binding	Cellular tumor antigen p53	Homo sapiens (human)
MDM2/MDM4 family protein binding	Cellular tumor antigen p53	Homo sapiens (human)
disordered domain specific binding	Cellular tumor antigen p53	Homo sapiens (human)
general transcription initiation factor binding	Cellular tumor antigen p53	Homo sapiens (human)
molecular function activator activity	Cellular tumor antigen p53	Homo sapiens (human)
promoter-specific chromatin binding	Cellular tumor antigen p53	Homo sapiens (human)
magnesium ion binding	Delta-aminolevulinic acid dehydratase	Escherichia coli K-12
porphobilinogen synthase activity	Delta-aminolevulinic acid dehydratase	Escherichia coli K-12
zinc ion binding	Delta-aminolevulinic acid dehydratase	Escherichia coli K-12
lyase activity	Delta-aminolevulinic acid dehydratase	Escherichia coli K-12
metal ion binding	Delta-aminolevulinic acid dehydratase	Escherichia coli K-12
N4-(beta-N-acetylglucosaminyl)-L-asparaginase activity	N(4)-(beta-N-acetylglucosaminyl)-L-asparaginase	Homo sapiens (human)
protein binding	N(4)-(beta-N-acetylglucosaminyl)-L-asparaginase	Homo sapiens (human)
peptidase activity	N(4)-(beta-N-acetylglucosaminyl)-L-asparaginase	Homo sapiens (human)
malic enzyme activity	NADP-dependent malic enzyme, mitochondrial	Homo sapiens (human)
malate dehydrogenase (decarboxylating) (NADP+) activity	NADP-dependent malic enzyme, mitochondrial	Homo sapiens (human)
oxaloacetate decarboxylase activity	NADP-dependent malic enzyme, mitochondrial	Homo sapiens (human)
metal ion binding	NADP-dependent malic enzyme, mitochondrial	Homo sapiens (human)
NAD binding	NADP-dependent malic enzyme, mitochondrial	Homo sapiens (human)
NADP+ binding	NADP-dependent malic enzyme, mitochondrial	Homo sapiens (human)
dicarboxylic acid transmembrane transporter activity	Solute carrier family 13 member 3	Homo sapiens (human)
protein binding	Solute carrier family 13 member 3	Homo sapiens (human)
citrate transmembrane transporter activity	Solute carrier family 13 member 3	Homo sapiens (human)
alpha-ketoglutarate transmembrane transporter activity	Solute carrier family 13 member 3	Homo sapiens (human)
succinate transmembrane transporter activity	Solute carrier family 13 member 3	Homo sapiens (human)
high-affinity sodium:dicarboxylate symporter activity	Solute carrier family 13 member 3	Homo sapiens (human)
sodium:dicarboxylate symporter activity	Solute carrier family 13 member 3	Homo sapiens (human)
glutathione transmembrane transporter activity	Solute carrier family 13 member 3	Homo sapiens (human)
protein binding	Egl nine homolog 1	Homo sapiens (human)
ferrous iron binding	Egl nine homolog 1	Homo sapiens (human)
2-oxoglutarate-dependent dioxygenase activity	Egl nine homolog 1	Homo sapiens (human)
enzyme binding	Egl nine homolog 1	Homo sapiens (human)
L-ascorbic acid binding	Egl nine homolog 1	Homo sapiens (human)
peptidyl-proline dioxygenase activity	Egl nine homolog 1	Homo sapiens (human)
hypoxia-inducible factor-proline dioxygenase activity	Egl nine homolog 1	Homo sapiens (human)
peptidyl-proline 4-dioxygenase activity	Egl nine homolog 1	Homo sapiens (human)
[Information is prepared from geneontology information from the June-17-2024 release]

Process	via Protein(s)	Taxonomy
nucleus	Lysine-specific demethylase 4E	Homo sapiens (human)
nucleoplasm	Lysine-specific demethylase 4E	Homo sapiens (human)
chromatin	Lysine-specific demethylase 4E	Homo sapiens (human)
nucleus	Lysine-specific demethylase 4E	Homo sapiens (human)
nuclear body	Cellular tumor antigen p53	Homo sapiens (human)
nucleus	Cellular tumor antigen p53	Homo sapiens (human)
nucleoplasm	Cellular tumor antigen p53	Homo sapiens (human)
replication fork	Cellular tumor antigen p53	Homo sapiens (human)
nucleolus	Cellular tumor antigen p53	Homo sapiens (human)
cytoplasm	Cellular tumor antigen p53	Homo sapiens (human)
mitochondrion	Cellular tumor antigen p53	Homo sapiens (human)
mitochondrial matrix	Cellular tumor antigen p53	Homo sapiens (human)
endoplasmic reticulum	Cellular tumor antigen p53	Homo sapiens (human)
centrosome	Cellular tumor antigen p53	Homo sapiens (human)
cytosol	Cellular tumor antigen p53	Homo sapiens (human)
nuclear matrix	Cellular tumor antigen p53	Homo sapiens (human)
PML body	Cellular tumor antigen p53	Homo sapiens (human)
transcription repressor complex	Cellular tumor antigen p53	Homo sapiens (human)
site of double-strand break	Cellular tumor antigen p53	Homo sapiens (human)
germ cell nucleus	Cellular tumor antigen p53	Homo sapiens (human)
chromatin	Cellular tumor antigen p53	Homo sapiens (human)
transcription regulator complex	Cellular tumor antigen p53	Homo sapiens (human)
protein-containing complex	Cellular tumor antigen p53	Homo sapiens (human)
cytosol	Delta-aminolevulinic acid dehydratase	Escherichia coli K-12
cytosol	Delta-aminolevulinic acid dehydratase	Escherichia coli K-12
extracellular region	N(4)-(beta-N-acetylglucosaminyl)-L-asparaginase	Homo sapiens (human)
extracellular space	N(4)-(beta-N-acetylglucosaminyl)-L-asparaginase	Homo sapiens (human)
lysosome	N(4)-(beta-N-acetylglucosaminyl)-L-asparaginase	Homo sapiens (human)
endoplasmic reticulum	N(4)-(beta-N-acetylglucosaminyl)-L-asparaginase	Homo sapiens (human)
azurophil granule lumen	N(4)-(beta-N-acetylglucosaminyl)-L-asparaginase	Homo sapiens (human)
cytoplasm	N(4)-(beta-N-acetylglucosaminyl)-L-asparaginase	Homo sapiens (human)
lysosome	N(4)-(beta-N-acetylglucosaminyl)-L-asparaginase	Homo sapiens (human)
mitochondrion	NADP-dependent malic enzyme, mitochondrial	Homo sapiens (human)
mitochondrial matrix	NADP-dependent malic enzyme, mitochondrial	Homo sapiens (human)
mitochondrion	NADP-dependent malic enzyme, mitochondrial	Homo sapiens (human)
plasma membrane	Solute carrier family 13 member 3	Homo sapiens (human)
basolateral plasma membrane	Solute carrier family 13 member 3	Homo sapiens (human)
extracellular exosome	Solute carrier family 13 member 3	Homo sapiens (human)
plasma membrane	Solute carrier family 13 member 3	Homo sapiens (human)
cytoplasm	Egl nine homolog 1	Homo sapiens (human)
cytosol	Egl nine homolog 1	Homo sapiens (human)
postsynaptic density	Egl nine homolog 1	Homo sapiens (human)
intracellular membrane-bounded organelle	Egl nine homolog 1	Homo sapiens (human)
glutamatergic synapse	Egl nine homolog 1	Homo sapiens (human)
nucleus	Egl nine homolog 1	Homo sapiens (human)
cytoplasm	Egl nine homolog 1	Homo sapiens (human)
[Information is prepared from geneontology information from the June-17-2024 release]

Assay ID	Title	Year	Journal	Article
AID1347086	qHTS for Inhibitors of the Functional Ribonucleoprotein Complex (vRNP) of Lymphocytic Choriomeningitis Arenaviruses (LCMV): LCMV Primary Screen - GLuc reporter signal	2020	Antiviral research, 01, Volume: 173	A cell-based, infectious-free, platform to identify inhibitors of lassa virus ribonucleoprotein (vRNP) activity.
AID1745845	Primary qHTS for Inhibitors of ATXN expression
AID1347107	qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for Rh30 cells	2018	Oncotarget, Jan-12, Volume: 9, Issue:4	Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1508630	Primary qHTS for small molecule stabilizers of the endoplasmic reticulum resident proteome: Secreted ER Calcium Modulated Protein (SERCaMP) assay	2021	Cell reports, 04-27, Volume: 35, Issue:4	A target-agnostic screen identifies approved drugs to stabilize the endoplasmic reticulum-resident proteome.
AID1347091	qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for SJ-GBM2 cells	2018	Oncotarget, Jan-12, Volume: 9, Issue:4	Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1296008	Cytotoxic Profiling of Annotated Libraries Using Quantitative High-Throughput Screening	2020	SLAS discovery : advancing life sciences R & D, 01, Volume: 25, Issue:1	Cytotoxic Profiling of Annotated and Diverse Chemical Libraries Using Quantitative High-Throughput Screening.
AID1347092	qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for A673 cells	2018	Oncotarget, Jan-12, Volume: 9, Issue:4	Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1347106	qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for control Hh wild type fibroblast cells	2018	Oncotarget, Jan-12, Volume: 9, Issue:4	Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1347407	qHTS to identify inhibitors of the type 1 interferon - major histocompatibility complex class I in skeletal muscle: primary screen against the NCATS Pharmaceutical Collection	2020	ACS chemical biology, 07-17, Volume: 15, Issue:7	High-Throughput Screening to Identify Inhibitors of the Type I Interferon-Major Histocompatibility Complex Class I Pathway in Skeletal Muscle.
AID1347424	RapidFire Mass Spectrometry qHTS Assay for Modulators of WT P53-Induced Phosphatase 1 (WIP1)	2019	The Journal of biological chemistry, 11-15, Volume: 294, Issue:46	Physiologically relevant orthogonal assays for the discovery of small-molecule modulators of WIP1 phosphatase in high-throughput screens.
AID1347090	qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for DAOY cells	2018	Oncotarget, Jan-12, Volume: 9, Issue:4	Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1347100	qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for LAN-5 cells	2018	Oncotarget, Jan-12, Volume: 9, Issue:4	Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1347425	Rhodamine-PBP qHTS Assay for Modulators of WT P53-Induced Phosphatase 1 (WIP1)	2019	The Journal of biological chemistry, 11-15, Volume: 294, Issue:46	Physiologically relevant orthogonal assays for the discovery of small-molecule modulators of WIP1 phosphatase in high-throughput screens.
AID1347105	qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for MG 63 (6-TG R) cells	2018	Oncotarget, Jan-12, Volume: 9, Issue:4	Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1347108	qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for Rh41 cells	2018	Oncotarget, Jan-12, Volume: 9, Issue:4	Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1347098	qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for SK-N-SH cells	2018	Oncotarget, Jan-12, Volume: 9, Issue:4	Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1347093	qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for SK-N-MC cells	2018	Oncotarget, Jan-12, Volume: 9, Issue:4	Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1347101	qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for BT-12 cells	2018	Oncotarget, Jan-12, Volume: 9, Issue:4	Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID651635	Viability Counterscreen for Primary qHTS for Inhibitors of ATXN expression
AID1347089	qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for TC32 cells	2018	Oncotarget, Jan-12, Volume: 9, Issue:4	Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1347083	qHTS for Inhibitors of the Functional Ribonucleoprotein Complex (vRNP) of Lassa (LASV) Arenavirus: Viability assay - alamar blue signal for LASV Primary Screen	2020	Antiviral research, 01, Volume: 173	A cell-based, infectious-free, platform to identify inhibitors of lassa virus ribonucleoprotein (vRNP) activity.
AID1347099	qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for NB1643 cells	2018	Oncotarget, Jan-12, Volume: 9, Issue:4	Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1347082	qHTS for Inhibitors of the Functional Ribonucleoprotein Complex (vRNP) of Lassa (LASV) Arenavirus: LASV Primary Screen - GLuc reporter signal	2020	Antiviral research, 01, Volume: 173	A cell-based, infectious-free, platform to identify inhibitors of lassa virus ribonucleoprotein (vRNP) activity.
AID1347097	qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for Saos-2 cells	2018	Oncotarget, Jan-12, Volume: 9, Issue:4	Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1347095	qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for NB-EBc1 cells	2018	Oncotarget, Jan-12, Volume: 9, Issue:4	Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1347103	qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for OHS-50 cells	2018	Oncotarget, Jan-12, Volume: 9, Issue:4	Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1347094	qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for BT-37 cells	2018	Oncotarget, Jan-12, Volume: 9, Issue:4	Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1347096	qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for U-2 OS cells	2018	Oncotarget, Jan-12, Volume: 9, Issue:4	Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1347102	qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for Rh18 cells	2018	Oncotarget, Jan-12, Volume: 9, Issue:4	Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1347104	qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for RD cells	2018	Oncotarget, Jan-12, Volume: 9, Issue:4	Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1347154	Primary screen GU AMC qHTS for Zika virus inhibitors	2020	Proceedings of the National Academy of Sciences of the United States of America, 12-08, Volume: 117, Issue:49	Therapeutic candidates for the Zika virus identified by a high-throughput screen for Zika protease inhibitors.
AID504749	qHTS profiling for inhibitors of Plasmodium falciparum proliferation	2011	Science (New York, N.Y.), Aug-05, Volume: 333, Issue:6043	Chemical genomic profiling for antimalarial therapies, response signatures, and molecular targets.
AID1346987	P-glycoprotein substrates identified in KB-8-5-11 adenocarcinoma cell line, qHTS therapeutic library screen	2019	Molecular pharmacology, 11, Volume: 96, Issue:5	A High-Throughput Screen of a Library of Therapeutics Identifies Cytotoxic Substrates of P-glycoprotein.
AID1346986	P-glycoprotein substrates identified in KB-3-1 adenocarcinoma cell line, qHTS therapeutic library screen	2019	Molecular pharmacology, 11, Volume: 96, Issue:5	A High-Throughput Screen of a Library of Therapeutics Identifies Cytotoxic Substrates of P-glycoprotein.
AID349747	Inhibition of human recombinant PHD2 (181-426) expressed in Escherichia coli BL21 (DE3) by TR-FRET assay	2009	Journal of medicinal chemistry, May-14, Volume: 52, Issue:9	Application of a proteolysis/mass spectrometry method for investigating the effects of inhibitors on hydroxylase structure.
AID1543452	Inhibition of N-terminal His6-tagged recombinant Paramecium bursaria chlorella virus 1 CPH expressed in Escherichia coli Rosetta 2 (DE3) cells pre-incubated for 5 mins before 2OG as substrate and Fe2 as co-factor addition in presence of L-ascorbate and me	2019	Bioorganic & medicinal chemistry, 06-15, Volume: 27, Issue:12	Inhibition of a viral prolyl hydroxylase.
AID110255	Antileukemic activity of compound against the P-388 lymphocytic leukemic BDF1 male mice at 0.6(mg/kg)/day, administered intraperitoneally; 10.7/9.66 (Treated/control)	1981	Journal of medicinal chemistry, Aug, Volume: 24, Issue:8	Antitumor agents. 44. Bis(helenalinyl) esters and related derivatives as novel potent antileukemic agents.
AID721521	Inhibition of PHD2 (unknown origin)	2013	Journal of medicinal chemistry, Jan-24, Volume: 56, Issue:2	Reporter ligand NMR screening method for 2-oxoglutarate oxygenase inhibitors.
AID344917	Inhibition of 2-oxoglutarate-dependent human JMJD2E in presence of excess H3K9me3 peptide and 10 uM Fe2 by FDH coupled assay	2008	Journal of medicinal chemistry, Nov-27, Volume: 51, Issue:22	Inhibitor scaffolds for 2-oxoglutarate-dependent histone lysine demethylases.
AID344926	Inhibition of 2-oxoglutarate-dependent human recombinant HIF PHD2 preincubated for 1 hr	2008	Journal of medicinal chemistry, Nov-27, Volume: 51, Issue:22	Inhibitor scaffolds for 2-oxoglutarate-dependent histone lysine demethylases.
AID721528	Displacement of 2OG from FIH (unknown origin) expressed in Escherichia coli at 400 uM	2013	Journal of medicinal chemistry, Jan-24, Volume: 56, Issue:2	Reporter ligand NMR screening method for 2-oxoglutarate oxygenase inhibitors.
AID398684	Toxicity in brine shrimp	1995	Journal of natural products, Aug, Volume: 58, Issue:8	Identification of 3-hydroxy-3-methylglutaric acid (HMG) as a hypoglycemic principle of Spanish moss (Tillandsia usneoides).
AID446353	Inhibition of human PHD2 at 293K temperature by solvent relaxation technique	2010	Journal of medicinal chemistry, Jan-28, Volume: 53, Issue:2	Using NMR solvent water relaxation to investigate metalloenzyme-ligand binding interactions.
AID344918	Inhibition of 2-oxoglutarate-dependent human JMJD2E preincubated for 30 mins by FDH coupled assay	2008	Journal of medicinal chemistry, Nov-27, Volume: 51, Issue:22	Inhibitor scaffolds for 2-oxoglutarate-dependent histone lysine demethylases.
AID1136878	Antiyeast activity against Candida albicans clinical isolate 1-V assessed as total inhibition of fungal growth after 24 to 48 hrs by microdilution-colorimetric method	1979	Journal of medicinal chemistry, Sep, Volume: 22, Issue:9	Anticandidal activity of 5-fluorocytosine-peptide conjugates.
AID446352	Binding affinity to human PHD2 by nondenaturing ESI-MS	2010	Journal of medicinal chemistry, Jan-28, Volume: 53, Issue:2	Using NMR solvent water relaxation to investigate metalloenzyme-ligand binding interactions.
AID19262	Aqueous solubility	2000	Bioorganic & medicinal chemistry letters, Jun-05, Volume: 10, Issue:11	Prediction of drug solubility from Monte Carlo simulations.
AID344916	Inhibition of 2-oxoglutarate-dependent human JMJD2E in presence of excess 2-oxoglutarate and 10 uM Fe2 by FDH coupled assay	2008	Journal of medicinal chemistry, Nov-27, Volume: 51, Issue:22	Inhibitor scaffolds for 2-oxoglutarate-dependent histone lysine demethylases.
AID681141	TP_TRANSPORTER: uptake in Xenopus laevis oocytes	2001	Molecular pharmacology, May, Volume: 59, Issue:5	Identification and characterization of human organic anion transporter 3 expressing predominantly in the kidney.
AID447578	Inhibition of HDAC in human Hela cells nuclear extracts assessed as residual activity at 500 uM by fluorimetric assay	2009	Bioorganic & medicinal chemistry, Jul-15, Volume: 17, Issue:14	Molecular modifications on carboxylic acid derivatives as potent histone deacetylase inhibitors: Activity and docking studies.
AID1136877	Antiyeast activity against Saccharomyces cerevisiae 9763 assessed as total inhibition of fungal growth after 24 to 48 hrs by microdilution-colorimetric method	1979	Journal of medicinal chemistry, Sep, Volume: 22, Issue:9	Anticandidal activity of 5-fluorocytosine-peptide conjugates.
AID588220	Literature-mined public compounds from Kruhlak et al phospholipidosis modelling dataset	2008	Toxicology mechanisms and methods, , Volume: 18, Issue:2-3	Development of a phospholipidosis database and predictive quantitative structure-activity relationship (QSAR) models.
AID1763191	Inhibition of TET (unknown origin)	2021	Bioorganic & medicinal chemistry, 06-01, Volume: 39	SAR insights into TET2 catalytic domain inhibition: Synthesis of 2-Hydroxy-4-Methylene-pentanedicarboxylates.
AID258399	Inhibition of p53-HDM2 interaction at 50 ug/ml	2006	Bioorganic & medicinal chemistry letters, Jan-01, Volume: 16, Issue:1	Hexylitaconic acid: a new inhibitor of p53-HDM2 interaction isolated from a marine-derived fungus, Arthrinium sp.
AID328866	Binding affinity to Pyrococcus horikoshii sodium-coupled aspartate transporter	2007	Nature, Jan-25, Volume: 445, Issue:7126	Coupling substrate and ion binding to extracellular gate of a sodium-dependent aspartate transporter.
AID121647	In vivo antileukemic activity against P-388 lymphocytic leukemia in BDF1 male mice at 60 mg/kg/day intraperitoneal dose expressed as T/C	1981	Journal of medicinal chemistry, Aug, Volume: 24, Issue:8	Antitumor agents. 44. Bis(helenalinyl) esters and related derivatives as novel potent antileukemic agents.
AID95754	Protein interaction energy by using binding affinity towards human L-xylulose reductase enzyme	2003	Bioorganic & medicinal chemistry letters, Apr-17, Volume: 13, Issue:8	Structure-based design of inhibitors of human L-xylulose reductase modelled into the active site of the enzyme.
AID1136880	Antiyeast activity against Candida krusei 1-T assessed as total inhibition of fungal growth after 24 to 48 hrs by microdilution-colorimetric method	1979	Journal of medicinal chemistry, Sep, Volume: 22, Issue:9	Anticandidal activity of 5-fluorocytosine-peptide conjugates.
AID446356	Binding affinity to human PHD2-Mn(II) using 12.5% H2O/87.5% D2O MQC spectrometer operated at 500 MHz at 298K temperature	2010	Journal of medicinal chemistry, Jan-28, Volume: 53, Issue:2	Using NMR solvent water relaxation to investigate metalloenzyme-ligand binding interactions.
AID349748	Destabilizing effect on human recombinant PHD2 (181-426) expressed in Escherichia coli BL21 (DE3) assessed as half life by limited trypsinolysis/MALDI-MS analysis in presence of ferrous ion	2009	Journal of medicinal chemistry, May-14, Volume: 52, Issue:9	Application of a proteolysis/mass spectrometry method for investigating the effects of inhibitors on hydroxylase structure.
AID216185	Anti-Herpes simplex virus type-1 activity in vero cells using plaque inhibition assay	1999	Journal of medicinal chemistry, Aug-26, Volume: 42, Issue:17	Virtual combinatorial syntheses and computational screening of new potential anti-herpes compounds.
AID721529	Displacement of 2OG from catalytic domain of PHD2 (181 to 426) (unknown origin) expressed in Escherichia coli at 400 uM	2013	Journal of medicinal chemistry, Jan-24, Volume: 56, Issue:2	Reporter ligand NMR screening method for 2-oxoglutarate oxygenase inhibitors.
AID429168	Activation of human recombinant wild type mitochondrial NADP-ME expressed in Escherichia coli BL21 assessed as one-half maximal activation by spectrophotometry	2009	Bioorganic & medicinal chemistry, Aug-01, Volume: 17, Issue:15	Effects of structural analogues of the substrate and allosteric regulator of the human mitochondrial NAD(P)+-dependent malic enzyme.
AID1136879	Antiyeast activity against Candida albicans WD 18-4 assessed as total inhibition of fungal growth after 24 to 48 hrs by microdilution-colorimetric method	1979	Journal of medicinal chemistry, Sep, Volume: 22, Issue:9	Anticandidal activity of 5-fluorocytosine-peptide conjugates.
AID398683	Hypoglycemic activity in Swiss-Webster mouse assessed as change plasma glucose level at 250 mg/kg, ip after 4 hrs	1995	Journal of natural products, Aug, Volume: 58, Issue:8	Identification of 3-hydroxy-3-methylglutaric acid (HMG) as a hypoglycemic principle of Spanish moss (Tillandsia usneoides).
AID977610	Experimentally measured binding affinity data (Ki) for protein-ligand complexes derived from PDB	2013	Archives of biochemistry and biophysics, Oct-01, Volume: 538, Issue:1	Structural basis of substrate selectivity of Δ(1)-pyrroline-5-carboxylate dehydrogenase (ALDH4A1): semialdehyde chain length.
AID1345450	Human succinate receptor (Succinate receptor)	2013	Journal of biomolecular screening, Jun, Volume: 18, Issue:5	Screening β-arrestin recruitment for the identification of natural ligands for orphan G-protein-coupled receptors.
AID1345450	Human succinate receptor (Succinate receptor)	2004	Nature, May-13, Volume: 429, Issue:6988	Citric acid cycle intermediates as ligands for orphan G-protein-coupled receptors.
AID977611	Experimentally measured binding affinity data (Kd) for protein-ligand complexes derived from PDB	2000	Journal of biochemistry, Feb, Volume: 127, Issue:2	Cocrystallization of a mutant aspartate aminotransferase with a C5-dicarboxylic substrate analog: structural comparison with the enzyme-C4-dicarboxylic analog complex.
AID1811	Experimentally measured binding affinity data derived from PDB	2000	Journal of biochemistry, Feb, Volume: 127, Issue:2	Cocrystallization of a mutant aspartate aminotransferase with a C5-dicarboxylic substrate analog: structural comparison with the enzyme-C4-dicarboxylic analog complex.
AID1798635	FDH Coupled Inhibition Assay from Article 10.1021/jm800936s: \\Inhibitor Scaffolds for 2-Oxoglutarate-Dependent Histone Lysine Demethylases.\\	2008	Journal of medicinal chemistry, Nov-27, Volume: 51, Issue:22	Inhibitor scaffolds for 2-oxoglutarate-dependent histone lysine demethylases.
AID1799605	PBGS Assay from Article 10.1002/1439-7633(20010504)2: \\Inhibition studies of porphobilinogen synthase from Escherichia coli differentiating between the two recognition sites.\\	2001	Chembiochem : a European journal of chemical biology, May-04, Volume: 2, Issue:5	Inhibition studies of porphobilinogen synthase from Escherichia coli differentiating between the two recognition sites.
AID1799787	Isothermal Titration Calorimetry from Article 10.1074/jbc.M110.110403: \\Identification of a chemoreceptor for tricarboxylic acid cycle intermediates: differential chemotactic response towards receptor ligands.\\	2010	The Journal of biological chemistry, Jul-23, Volume: 285, Issue:30	Identification of a chemoreceptor for tricarboxylic acid cycle intermediates: differential chemotactic response towards receptor ligands.
AID1799666	Inhibition Assay from Article 10.1080/14756360109162375: \\Glycosylasparaginase inhibition studies: competitive inhibitors, transition state mimics, noncompetitive inhibitors.\\	2001	Journal of enzyme inhibition, , Volume: 16, Issue:3	Glycosylasparaginase inhibition studies: competitive inhibitors, transition state mimics, noncompetitive inhibitors.
[information is prepared from bioassay data collected from National Library of Medicine (NLM), extracted Dec-2023]

Timeframe	Studies, This Drug (%)	All Drugs %
pre-1990	838 (21.02)	18.7374
1990's	523 (13.12)	18.2507
2000's	851 (21.34)	29.6817
2010's	1272 (31.90)	24.3611
2020's	503 (12.62)	2.80
[information is prepared from research data collected from National Library of Medicine (NLM), extracted Dec-2023]

Publication Type	This drug (%)	All Drugs (%)
Trials	29 (0.69%)	5.53%
Reviews	166 (3.93%)	6.00%
Case Studies	22 (0.52%)	4.05%
Observational	1 (0.02%)	0.25%
Other	4,001 (94.83%)	84.16%
[information is prepared from research data collected from National Library of Medicine (NLM), extracted Dec-2023]

Substance	Description	Relationhip Strength	Studies	Trials	Classes	Roles
flucytosine	[no description available]	medium	2	0	aminopyrimidine; nucleoside analogue; organofluorine compound; pyrimidine antifungal drug; pyrimidone	prodrug
fluorouracil	[no description available]	medium	4	0	nucleobase analogue; organofluorine compound	antimetabolite; antineoplastic agent; environmental contaminant; immunosuppressive agent; radiosensitizing agent; xenobiotic
malonic acid	[no description available]	medium	57	0	alpha,omega-dicarboxylic acid	human metabolite
diethyl malonate	[no description available]	medium	1	0	dicarboxylic acid
helenalin	[no description available]	medium	1	0	cyclic ketone; gamma-lactone; organic heterotricyclic compound; secondary alcohol; sesquiterpene lactone	anti-inflammatory agent; antineoplastic agent; metabolite; plant metabolite
diethyl succinate	[no description available]	medium	2	0	fatty acid ester
11alpha,13-dihydrohelenalin	[no description available]	medium	1	0	sesquiterpene lactone
citric acid, anhydrous	[no description available]	high	153	0	tricarboxylic acid	antimicrobial agent; chelator; food acidity regulator; fundamental metabolite
meglutol	[no description available]	medium	1	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
thymidine	[no description available]	medium	6	0	pyrimidine 2'-deoxyribonucleoside	Escherichia coli metabolite; human metabolite; metabolite; mouse metabolite
ethyl citrate	[no description available]	medium	1	0	carbonyl compound
trimethyl citrate	[no description available]	medium	1	0
adipic acid	[no description available]	medium	25	0	alpha,omega-dicarboxylic acid; dicarboxylic fatty acid	food acidity regulator; human xenobiotic metabolite
adipic acid	[no description available]	medium	25	1	alpha,omega-dicarboxylic acid; dicarboxylic fatty acid	food acidity regulator; human xenobiotic metabolite
cordycepin	[no description available]	medium	1	0	3'-deoxyribonucleoside; adenosines	antimetabolite; nucleoside antibiotic
formaldoxime	[no description available]	medium	1	0
tropine	[no description available]	medium	1	0
5-nitrobarbituric acid	[no description available]	medium	1	0
deoxyuridine	[no description available]	medium	1	0	pyrimidine 2'-deoxyribonucleoside	Escherichia coli metabolite; human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite
nebularine	[no description available]	medium	1	0	purine ribonucleoside; purines D-ribonucleoside	fungal metabolite
5-nitrouracil	[no description available]	medium	1	0	C-nitro compound
5-methylcytidine	[no description available]	medium	1	0	methylcytidine
4,4'-azobis(phenol)	[no description available]	medium	1	0
7-hydroxycoumarin	[no description available]	medium	1	0	hydroxycoumarin	fluorescent probe; food component; plant metabolite
nitrofurantoin	[no description available]	medium	3	0	imidazolidine-2,4-dione; nitrofuran antibiotic; organonitrogen heterocyclic antibiotic; organooxygen heterocyclic antibiotic	antibacterial drug; antiinfective agent; hepatotoxic agent
inosine	[no description available]	medium	6	0	inosines; purines D-ribonucleoside	Escherichia coli metabolite; human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite
inosine	[no description available]	medium	6	2	inosines; purines D-ribonucleoside	Escherichia coli metabolite; human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite
glutaric acid	[no description available]	medium	19	0	alpha,omega-dicarboxylic acid; dicarboxylic fatty acid	Daphnia magna metabolite; human metabolite
ethylene dichloride	[no description available]	medium	1	0	chloroethanes	hepatotoxic agent; mutagen; non-polar solvent
acetamide	[no description available]	medium	1	0	acetamides; carboximidic acid; monocarboxylic acid amide; N-acylammonia
adenine	[no description available]	medium	6	0	6-aminopurines; purine nucleobase	Daphnia magna metabolite; Escherichia coli metabolite; human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite
benzaldehyde	[no description available]	medium	2	0	benzaldehydes	EC 3.1.1.3 (triacylglycerol lipase) inhibitor; EC 3.5.5.1 (nitrilase) inhibitor; flavouring agent; fragrance; odorant receptor agonist; plant metabolite
benzene	[no description available]	medium	4	0	aromatic annulene; benzenes; volatile organic compound	carcinogenic agent; environmental contaminant; non-polar solvent
benzene	[no description available]	medium	4	1	aromatic annulene; benzenes; volatile organic compound	carcinogenic agent; environmental contaminant; non-polar solvent
benzoic acid	[no description available]	medium	10	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
salicylic acid	[no description available]	medium	12	0	monohydroxybenzoic acid	algal metabolite; antifungal agent; antiinfective agent; EC 1.11.1.11 (L-ascorbate peroxidase) inhibitor; keratolytic drug; plant hormone; plant metabolite
propionaldehyde	[no description available]	medium	1	0	alpha-CH2-containing aldehyde; propanals	Escherichia coli metabolite
dibenzofuran	[no description available]	medium	1	0	dibenzofurans; mancude organic heterotricyclic parent; polycyclic heteroarene	xenobiotic
cytosine	[no description available]	medium	4	0	aminopyrimidine; pyrimidine nucleobase; pyrimidone	Escherichia coli metabolite; human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite
alanine	[no description available]	medium	1	0	alpha-amino acid; amino acid zwitterion	fundamental metabolite
hexachlorocyclohexane	[no description available]	medium	1	0	chlorocyclohexane
indole	[no description available]	medium	2	0	indole; polycyclic heteroarene	Escherichia coli metabolite
methanol	[no description available]	medium	34	0	alkyl alcohol; one-carbon compound; primary alcohol; volatile organic compound	amphiprotic solvent; Escherichia coli metabolite; fuel; human metabolite; mouse metabolite; Mycoplasma genitalium metabolite
acetanilide	[no description available]	medium	1	0	acetamides; anilide	analgesic
naphthalene	[no description available]	medium	4	0	naphthalenes; ortho-fused bicyclic arene	apoptosis inhibitor; carcinogenic agent; environmental contaminant; mouse metabolite; plant metabolite; volatile oil component
phenol	[no description available]	medium	7	0	phenols	antiseptic drug; disinfectant; human xenobiotic metabolite; mouse metabolite
1-propanol	[no description available]	medium	4	0	propan-1-ols; short-chain primary fatty alcohol	metabolite; protic solvent
pyridine	[no description available]	medium	12	0	azaarene; mancude organic heteromonocyclic parent; monocyclic heteroarene; pyridines	environmental contaminant; NMR chemical shift reference compound
dimethyl sulfide	[no description available]	medium	1	0	aliphatic sulfide	algal metabolite; bacterial xenobiotic metabolite; EC 3.5.1.4 (amidase) inhibitor; Escherichia coli metabolite; marine metabolite
toluene	[no description available]	medium	6	0	methylbenzene; toluenes; volatile organic compound	cholinergic antagonist; fuel additive; neurotoxin; non-polar solvent
toluene	[no description available]	medium	6	1	methylbenzene; toluenes; volatile organic compound	cholinergic antagonist; fuel additive; neurotoxin; non-polar solvent
trimethylamine	[no description available]	medium	2	0	methylamines; tertiary amine	Escherichia coli metabolite; human xenobiotic metabolite
uracil	[no description available]	medium	13	0	pyrimidine nucleobase; pyrimidone	allergen; Daphnia magna metabolite; Escherichia coli metabolite; human metabolite; mouse metabolite; prodrug; Saccharomyces cerevisiae metabolite
phenytoin	[no description available]	medium	1	0	imidazolidine-2,4-dione	anticonvulsant; drug allergen; sodium channel blocker; teratogenic agent
acetaminophen	[no description available]	medium	6	0	acetamides; phenols	antipyretic; cyclooxygenase 1 inhibitor; cyclooxygenase 2 inhibitor; cyclooxygenase 3 inhibitor; environmental contaminant; ferroptosis inducer; geroprotector; hepatotoxic agent; human blood serum metabolite; non-narcotic analgesic; non-steroidal anti-inflammatory drug; xenobiotic
theophylline	[no description available]	medium	5	0	dimethylxanthine	adenosine receptor antagonist; anti-asthmatic drug; anti-inflammatory agent; bronchodilator agent; drug metabolite; EC 3.1.4.* (phosphoric diester hydrolase) inhibitor; fungal metabolite; human blood serum metabolite; immunomodulator; muscle relaxant; vasodilator agent
aspirin	[no description available]	medium	13	0	benzoic acids; phenyl acetates; salicylates	anticoagulant; antipyretic; cyclooxygenase 1 inhibitor; cyclooxygenase 2 inhibitor; drug allergen; EC 1.1.1.188 (prostaglandin-F synthase) inhibitor; geroprotector; non-narcotic analgesic; non-steroidal anti-inflammatory drug; plant activator; platelet aggregation inhibitor; prostaglandin antagonist; teratogenic agent
atrazine	[no description available]	medium	1	0	chloro-1,3,5-triazine; diamino-1,3,5-triazine	environmental contaminant; herbicide; xenobiotic
barbital	[no description available]	medium	10	0	barbiturates	drug allergen
benzamide	[no description available]	medium	2	0	benzamides
benzocaine	[no description available]	medium	1	0	benzoate ester; substituted aniline	allergen; antipruritic drug; sensitiser; topical anaesthetic
bay h 4502	[no description available]	medium	1	0	biphenyls; imidazoles
bromazepam	[no description available]	medium	1	0	organic molecular entity
caffeine	[no description available]	medium	2	0	purine alkaloid; trimethylxanthine	adenosine A2A receptor antagonist; adenosine receptor antagonist; adjuvant; central nervous system stimulant; diuretic; EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor; EC 3.1.4.* (phosphoric diester hydrolase) inhibitor; environmental contaminant; food additive; fungal metabolite; geroprotector; human blood serum metabolite; mouse metabolite; mutagen; plant metabolite; psychotropic drug; ryanodine receptor agonist; xenobiotic
chlorpromazine	[no description available]	medium	4	0	organochlorine compound; phenothiazines; tertiary amine	anticoronaviral agent; antiemetic; dopaminergic antagonist; EC 3.4.21.26 (prolyl oligopeptidase) inhibitor; phenothiazine antipsychotic drug
4-cresol	[no description available]	medium	2	0	cresol	Escherichia coli metabolite; human metabolite; uremic toxin
desipramine	[no description available]	medium	2	0	dibenzoazepine; secondary amino compound	adrenergic uptake inhibitor; alpha-adrenergic antagonist; antidepressant; cholinergic antagonist; drug allergen; EC 3.1.4.12 (sphingomyelin phosphodiesterase) inhibitor; EC 3.4.21.26 (prolyl oligopeptidase) inhibitor; H1-receptor antagonist; serotonin uptake inhibitor
diazepam	[no description available]	medium	5	0	1,4-benzodiazepinone; organochlorine compound	anticonvulsant; anxiolytic drug; environmental contaminant; sedative; xenobiotic
ddt	[no description available]	medium	3	0	benzenoid aromatic compound; chlorophenylethane; monochlorobenzenes; organochlorine insecticide	bridged diphenyl acaricide; carcinogenic agent; endocrine disruptor; persistent organic pollutant
diuron	[no description available]	medium	2	0	3-(3,4-substituted-phenyl)-1,1-dimethylurea; dichlorobenzene	environmental contaminant; mitochondrial respiratory-chain inhibitor; photosystem-II inhibitor; urea herbicide; xenobiotic
ether	[no description available]	medium	3	0	ether; volatile organic compound	inhalation anaesthetic; non-polar solvent; refrigerant
fenbufen	[no description available]	medium	1	0	4-oxo monocarboxylic acid; biphenyls	non-steroidal anti-inflammatory drug
fluconazole	[no description available]	medium	2	0	conazole antifungal drug; difluorobenzene; tertiary alcohol; triazole antifungal drug	environmental contaminant; P450 inhibitor; xenobiotic
flurbiprofen	[no description available]	medium	1	0	fluorobiphenyl; monocarboxylic acid	antipyretic; EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor; non-narcotic analgesic; non-steroidal anti-inflammatory drug
ibuprofen	[no description available]	medium	3	0	monocarboxylic acid	antipyretic; cyclooxygenase 1 inhibitor; cyclooxygenase 2 inhibitor; drug allergen; environmental contaminant; geroprotector; non-narcotic analgesic; non-steroidal anti-inflammatory drug; radical scavenger; xenobiotic
lidocaine	[no description available]	medium	3	0	benzenes; monocarboxylic acid amide; tertiary amino compound	anti-arrhythmia drug; drug allergen; environmental contaminant; local anaesthetic; xenobiotic
imipramine	[no description available]	medium	3	0	dibenzoazepine	adrenergic uptake inhibitor; antidepressant; EC 3.4.21.26 (prolyl oligopeptidase) inhibitor
indomethacin	[no description available]	medium	3	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
indoprofen	[no description available]	medium	1	0	gamma-lactam; isoindoles; monocarboxylic acid	EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor; non-narcotic analgesic; non-steroidal anti-inflammatory drug
2-propanol	[no description available]	medium	5	0	secondary alcohol; secondary fatty alcohol	protic solvent
ketoprofen	[no description available]	medium	1	0	benzophenones; oxo monocarboxylic acid	antipyretic; drug allergen; EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor; environmental contaminant; non-steroidal anti-inflammatory drug; xenobiotic
lorazepam	[no description available]	medium	2	0	benzodiazepine
nevirapine	[no description available]	medium	1	0	cyclopropanes; dipyridodiazepine	antiviral drug; HIV-1 reverse transcriptase inhibitor
nifedipine	[no description available]	medium	2	0	C-nitro compound; dihydropyridine; methyl ester	calcium channel blocker; human metabolite; tocolytic agent; vasodilator agent
oxazepam	[no description available]	medium	2	0	1,4-benzodiazepinone; organochlorine compound	anxiolytic drug; environmental contaminant; xenobiotic
perphenazine	[no description available]	medium	2	0	N-(2-hydroxyethyl)piperazine; N-alkylpiperazine; organochlorine compound; phenothiazines	antiemetic; dopaminergic antagonist; phenothiazine antipsychotic drug
phenacetin	[no description available]	medium	2	0	acetamides; aromatic ether	cyclooxygenase 3 inhibitor; non-narcotic analgesic; peripheral nervous system drug
phenobarbital	[no description available]	medium	5	0	barbiturates	anticonvulsant; drug allergen; excitatory amino acid antagonist; sedative
procaine	[no description available]	medium	1	0	benzoate ester; substituted aniline; tertiary amino compound	central nervous system depressant; drug allergen; local anaesthetic; peripheral nervous system drug
promazine	[no description available]	medium	2	0	phenothiazines; tertiary amine	antiemetic; dopaminergic antagonist; EC 3.4.21.26 (prolyl oligopeptidase) inhibitor; H1-receptor antagonist; muscarinic antagonist; phenothiazine antipsychotic drug; serotonergic antagonist
thioridazine	[no description available]	medium	2	0	phenothiazines; piperidines	alpha-adrenergic antagonist; dopaminergic antagonist; EC 1.8.1.12 (trypanothione-disulfide reductase) inhibitor; EC 3.4.21.26 (prolyl oligopeptidase) inhibitor; first generation antipsychotic; H1-receptor antagonist; serotonergic antagonist
trifluoperazine	[no description available]	medium	1	0	N-alkylpiperazine; N-methylpiperazine; organofluorine compound; phenothiazines	antiemetic; calmodulin antagonist; dopaminergic antagonist; EC 1.8.1.12 (trypanothione-disulfide reductase) inhibitor; EC 5.3.3.5 (cholestenol Delta-isomerase) inhibitor; phenothiazine antipsychotic drug
triflupromazine	[no description available]	medium	1	0	organofluorine compound; phenothiazines; tertiary amine	anticoronaviral agent; antiemetic; dopaminergic antagonist; first generation antipsychotic
corticosterone	[no description available]	medium	6	0	11beta-hydroxy steroid; 20-oxo steroid; 21-hydroxy steroid; 3-oxo-Delta(4) steroid; C21-steroid; glucocorticoid; primary alpha-hydroxy ketone	human metabolite; mouse metabolite
prednisone	[no description available]	medium	1	0	11-oxo steroid; 17alpha-hydroxy steroid; 20-oxo steroid; 21-hydroxy steroid; 3-oxo-Delta(1),Delta(4)-steroid; C21-steroid; glucocorticoid; primary alpha-hydroxy ketone; tertiary alpha-hydroxy ketone	adrenergic agent; anti-inflammatory drug; antineoplastic agent; immunosuppressive agent; prodrug
chloramphenicol	[no description available]	medium	7	0	C-nitro compound; carboxamide; diol; organochlorine compound	antibacterial drug; antimicrobial agent; Escherichia coli metabolite; geroprotector; Mycoplasma genitalium metabolite; protein synthesis inhibitor
aniline	[no description available]	medium	3	0	anilines; primary arylamine
mannitol	[no description available]	medium	18	0	mannitol	allergen; antiglaucoma drug; compatible osmolytes; Escherichia coli metabolite; food anticaking agent; food bulking agent; food humectant; food stabiliser; food thickening agent; hapten; metabolite; osmotic diuretic; sweetening agent
4-toluenesulfonamide	[no description available]	medium	1	0	sulfonamide
1,1,1-trichloroethane	[no description available]	medium	1	0	chloroethanes	polar solvent
ethylamine	[no description available]	medium	2	0	primary aliphatic amine	human metabolite
nitromethane	[no description available]	medium	1	0	primary nitroalkane; volatile organic compound	EC 4.3.1.3 (histidine ammonia-lyase) inhibitor; explosive; NMR chemical shift reference compound; polar aprotic solvent
tert-butyl alcohol	[no description available]	medium	2	0	tertiary alcohol	human xenobiotic metabolite
methylethyl ketone	[no description available]	medium	1	0	butanone; dialkyl ketone; methyl ketone; volatile organic compound	bacterial metabolite; polar aprotic solvent
trichloroethylene	[no description available]	medium	1	0	chloroethenes	inhalation anaesthetic; mouse metabolite
methyl acetate	[no description available]	medium	2	0	acetate ester; methyl ester; volatile organic compound	EC 3.4.19.3 (pyroglutamyl-peptidase I) inhibitor; fragrance; polar aprotic solvent
nitroethane	[no description available]	medium	1	0	primary nitroalkane
fluorene	[no description available]	medium	1	0	ortho-fused polycyclic arene; ortho-fused tricyclic hydrocarbon
hexamethylbenzene	[no description available]	medium	1	0	methylbenzene
quinoline	[no description available]	medium	1	0	azaarene; mancude organic heterobicyclic parent; ortho-fused heteroarene; quinolines
diphenyl	[no description available]	medium	3	0	aromatic fungicide; benzenes; biphenyls	antifungal agrochemical; antimicrobial food preservative
benzidine	[no description available]	medium	1	0	biphenyls; substituted aniline	carcinogenic agent
methyl benzoate	[no description available]	medium	2	0	benzoate ester; methyl ester	insect attractant; metabolite
benzotrifluoride	[no description available]	medium	1	0	(trifluoromethyl)benzenes; fluorohydrocarbon	environmental contaminant; NMR chemical shift reference compound; solvent
butylphen	[no description available]	medium	1	0	phenols	allergen
acetophenone	[no description available]	medium	1	0	acetophenones	animal metabolite; photosensitizing agent; xenobiotic
nitrobenzene	[no description available]	medium	2	0	nitroarene; nitrobenzenes
carvone	[no description available]	medium	1	0	botanical anti-fungal agent; carvones	allergen
benzonitrile	[no description available]	medium	1	0	benzenes; nitrile
anisole	[no description available]	medium	2	0	monomethoxybenzene	plant metabolite
4-chloroaniline	[no description available]	medium	1	0	chloroaniline; monochlorobenzenes
propionitrile	[no description available]	medium	1	0	aliphatic nitrile; volatile organic compound	polar aprotic solvent
bromobenzene	[no description available]	medium	2	0	bromoarene; bromobenzenes; volatile organic compound	hepatotoxic agent; mouse metabolite; non-polar solvent
chlorobenzene	[no description available]	medium	1	0	monochlorobenzenes	solvent
pentane	[no description available]	medium	1	0	alkane; volatile organic compound	non-polar solvent; refrigerant
dimethoxymethane	[no description available]	medium	1	0	acetal; diether
tetrahydrofuran	[no description available]	medium	2	0	cyclic ether; oxolanes; saturated organic heteromonocyclic parent; volatile organic compound	polar aprotic solvent
furan	[no description available]	medium	1	0	furans; mancude organic heteromonocyclic parent; monocyclic heteroarene	carcinogenic agent; hepatotoxic agent; Maillard reaction product
thiophenes	[no description available]	medium	4	0	mancude organic heteromonocyclic parent; monocyclic heteroarene; thiophenes; volatile organic compound	non-polar solvent
n-hexane	[no description available]	medium	2	0	alkane; volatile organic compound	neurotoxin; non-polar solvent
cyclohexane	[no description available]	medium	3	0	cycloalkane; volatile organic compound	non-polar solvent
cyclohexene	[no description available]	medium	1	0	cycloalkene
morpholine	[no description available]	medium	3	0	morpholines; saturated organic heteromonocyclic parent	NMR chemical shift reference compound
ethyl-p-hydroxybenzoate	[no description available]	medium	1	0	ethyl ester; paraben	antifungal agent; antimicrobial food preservative; phytoestrogen; plant metabolite
3-nitrobenzoic acid	[no description available]	medium	1	0
2-naphthol	[no description available]	medium	2	0	naphthol	antinematodal drug; genotoxin; human urinary metabolite; human xenobiotic metabolite; mouse metabolite; radical scavenger
ethyl acetate	[no description available]	medium	7	0	acetate ester; ethyl ester; volatile organic compound	EC 3.4.19.3 (pyroglutamyl-peptidase I) inhibitor; metabolite; polar aprotic solvent; Saccharomyces cerevisiae metabolite
ephedrine	[no description available]	medium	2	0	phenethylamine alkaloid; phenylethanolamines	bacterial metabolite; environmental contaminant; nasal decongestant; plant metabolite; sympathomimetic agent; vasoconstrictor agent; xenobiotic
fluorobenzenes	[no description available]	medium	2	0	monofluorobenzenes	NMR chemical shift reference compound
4-chloroacetanilide	[no description available]	medium	1	0	acetamides; monochlorobenzenes
1-chloropropane	[no description available]	medium	1	0
2,3-dichlorophenol	[no description available]	medium	1	0
methyl butyrate	[no description available]	medium	1	0	fatty acid ester
decachlorobiphenyl	[no description available]	medium	1	0	pentachlorobenzenes; polychlorobiphenyl
desmedipham	[no description available]	medium	1	0	carbamate ester	agrochemical; environmental contaminant; herbicide; xenobiotic
menthone	[no description available]	medium	1	0	menthone
dimethylacetamide	[no description available]	medium	2	0	acetamides; monocarboxylic acid amide	human metabolite
pyrene	[no description available]	medium	1	0	ortho- and peri-fused polycyclic arene	fluorescent probe; persistent organic pollutant
fenoxycarb	[no description available]	medium	1	0	aromatic ether; carbamate ester	environmental contaminant; insecticide; juvenile hormone mimic; xenobiotic
fenclofenac	[no description available]	medium	1	0	aromatic ether
naproxen	[no description available]	medium	1	0	methoxynaphthalene; monocarboxylic acid	antipyretic; cyclooxygenase 1 inhibitor; cyclooxygenase 2 inhibitor; drug allergen; environmental contaminant; gout suppressant; non-narcotic analgesic; non-steroidal anti-inflammatory drug; xenobiotic
camphora	[no description available]	medium	1	0	camphor
atropine	[no description available]	medium	3	0
(+)-limonene	[no description available]	medium	1	0	limonene	plant metabolite
griseofulvin	[no description available]	medium	2	0	1-benzofurans; antibiotic antifungal drug; benzofuran antifungal drug; organochlorine compound; oxaspiro compound	antibacterial agent; Penicillium metabolite
cocaine	[no description available]	medium	1	0	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
diethylstilbestrol	[no description available]	medium	2	0	olefinic compound; polyphenol	antifungal agent; antineoplastic agent; autophagy inducer; calcium channel blocker; carcinogenic agent; EC 1.1.1.146 (11beta-hydroxysteroid dehydrogenase) inhibitor; EC 3.6.3.10 (H(+)/K(+)-exchanging ATPase) inhibitor; endocrine disruptor; xenoestrogen
sulindac	[no description available]	medium	1	0	monocarboxylic acid; organofluorine compound; sulfoxide	analgesic; antineoplastic agent; antipyretic; apoptosis inducer; EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor; non-narcotic analgesic; non-steroidal anti-inflammatory drug; prodrug; tocolytic agent
dinoprostone	[no description available]	medium	6	0	prostaglandins E	human metabolite; mouse metabolite; oxytocic
codeine	[no description available]	medium	1	0	morphinane alkaloid; organic heteropentacyclic compound	antitussive; drug allergen; environmental contaminant; opioid analgesic; opioid receptor agonist; prodrug; xenobiotic
morphine	[no description available]	medium	2	0	morphinane alkaloid; organic heteropentacyclic compound; tertiary amino compound	anaesthetic; drug allergen; environmental contaminant; geroprotector; mu-opioid receptor agonist; opioid analgesic; plant metabolite; vasodilator agent; xenobiotic
nifuroxime	[no description available]	medium	1	0
warfarin	[no description available]	medium	4	0	benzenes; hydroxycoumarin; methyl ketone
guanine	[no description available]	medium	1	0	2-aminopurines; oxopurine; purine nucleobase	algal metabolite; Escherichia coli metabolite; human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite
allopurinol	[no description available]	medium	6	0	nucleobase analogue; organic heterobicyclic compound	antimetabolite; EC 1.17.3.2 (xanthine oxidase) inhibitor; gout suppressant; radical scavenger
uric acid	[no description available]	medium	6	0	uric acid	Escherichia coli metabolite; human metabolite; mouse metabolite
uric acid	[no description available]	medium	6	1	uric acid	Escherichia coli metabolite; human metabolite; mouse metabolite
p-aminohippuric acid	[no description available]	medium	6	0	N-acylglycine	Daphnia magna metabolite
bumetanide	[no description available]	medium	1	0	amino acid; benzoic acids; sulfonamide	diuretic; EC 3.6.3.49 (channel-conductance-controlling ATPase) inhibitor
cimetidine	[no description available]	medium	2	0	aliphatic sulfide; guanidines; imidazoles; nitrile	adjuvant; analgesic; anti-ulcer drug; H2-receptor antagonist; P450 inhibitor
diclofenac	[no description available]	medium	2	0	amino acid; aromatic amine; dichlorobenzene; monocarboxylic acid; secondary amino compound	antipyretic; drug allergen; EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor; environmental contaminant; non-narcotic analgesic; non-steroidal anti-inflammatory drug; xenobiotic
valproic acid	[no description available]	medium	6	0	branched-chain fatty acid; branched-chain saturated fatty acid	anticonvulsant; antimanic drug; EC 3.5.1.98 (histone deacetylase) inhibitor; GABA agent; neuroprotective agent; psychotropic drug; teratogenic agent
furosemide	[no description available]	medium	7	0	chlorobenzoic acid; furans; sulfonamide	environmental contaminant; loop diuretic; xenobiotic
guanidine	[no description available]	medium	3	0	carboxamidine; guanidines; one-carbon compound
probenecid	[no description available]	medium	2	0	benzoic acids; sulfonamide	uricosuric drug
tetraethylammonium	[no description available]	medium	3	0	quaternary ammonium ion
penicillin g	[no description available]	medium	1	0	penicillin allergen; penicillin	antibacterial drug; drug allergen; epitope
sulfobromophthalein sodium	[no description available]	medium	1	0	organic sodium salt	dye
taurocholic acid	[no description available]	medium	1	0	amino sulfonic acid; bile acid taurine conjugate	human metabolite
dehydroepiandrosterone sulfate	[no description available]	medium	2	0	17-oxo steroid; steroid sulfate	EC 2.7.1.33 (pantothenate kinase) inhibitor; human metabolite; mouse metabolite
zidovudine	[no description available]	medium	5	0	azide; pyrimidine 2',3'-dideoxyribonucleoside	antimetabolite; antiviral drug; HIV-1 reverse transcriptase inhibitor
methotrexate	[no description available]	medium	1	0	dicarboxylic acid; monocarboxylic acid amide; pteridines	abortifacient; antimetabolite; antineoplastic agent; antirheumatic drug; dermatologic drug; DNA synthesis inhibitor; EC 1.5.1.3 (dihydrofolate reductase) inhibitor; immunosuppressive agent
ouabain	[no description available]	medium	2	0	11alpha-hydroxy steroid; 14beta-hydroxy steroid; 5beta-hydroxy steroid; alpha-L-rhamnoside; cardenolide glycoside; steroid hormone	anti-arrhythmia drug; cardiotonic drug; EC 2.3.3.1 [citrate (Si)-synthase] inhibitor; EC 3.1.3.41 (4-nitrophenylphosphatase) inhibitor; EC 3.6.3.10 (H(+)/K(+)-exchanging ATPase) inhibitor; EC 3.6.3.9 (Na(+)/K(+)-transporting ATPase) inhibitor; ion transport inhibitor; plant metabolite
quinidine	[no description available]	medium	3	0	cinchona alkaloid	alpha-adrenergic antagonist; anti-arrhythmia drug; antimalarial; drug allergen; EC 1.14.13.181 (13-deoxydaunorubicin hydroxylase) inhibitor; EC 3.6.3.44 (xenobiotic-transporting ATPase) inhibitor; muscarinic antagonist; P450 inhibitor; potassium channel blocker; sodium channel blocker
ochratoxin a	[no description available]	medium	1	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
estrone sulfate	[no description available]	medium	2	0	17-oxo steroid; steroid sulfate	human metabolite; mouse metabolite
estradiol-17 beta-glucuronide	[no description available]	medium	1	0	3-hydroxy steroid; steroid glucosiduronic acid
acyclovir	[no description available]	medium	2	0	2-aminopurines; oxopurine	antimetabolite; antiviral drug
2-amino-3-phosphonopropionic acid	[no description available]	medium	1	0	alanine derivative; non-proteinogenic alpha-amino acid; phosphonic acids	human metabolite; metabotropic glutamate receptor antagonist
aspartic acid	[no description available]	medium	72	0	aspartate family amino acid; aspartic acid; L-alpha-amino acid; proteinogenic amino acid	Escherichia coli metabolite; mouse metabolite; neurotransmitter
monomethyl succinate	[no description available]	medium	2	0	dicarboxylic acid
cysteic acid	[no description available]	medium	1	0	alanine derivative; amino sulfonic acid; carboxyalkanesulfonic acid; cysteine derivative; non-proteinogenic alpha-amino acid	animal metabolite
bromosuccinic acid	[no description available]	medium	1	0	2-bromocarboxylic acid; dicarboxylic acid
3-nitropropionic acid	[no description available]	medium	9	0	C-nitro compound	antimycobacterial drug; EC 1.3.5.1 [succinate dehydrogenase (quinone)] inhibitor; mycotoxin; neurotoxin
aceturic acid	[no description available]	medium	1	0	N-acetyl-amino acid; N-acylglycine	human metabolite
levulinic acid	[no description available]	medium	6	0	oxopentanoic acid; straight-chain saturated fatty acid	plant metabolite
monomethyl succinate	[no description available]	medium	4	0	dicarboxylic acid monoester; hemisuccinate
butyric acid	[no description available]	medium	19	0	fatty acid 4:0; straight-chain saturated fatty acid	human urinary metabolite; Mycoplasma genitalium metabolite
2-methylbutanoic acid	[no description available]	medium	1	0	methylbutyric acid	bacterial metabolite; human metabolite
2-hydroxybutyric acid	[no description available]	medium	2	0	2-hydroxy monocarboxylic acid; hydroxybutyric acid	algal metabolite; human metabolite
ethylmalonic acid	[no description available]	medium	5	0	dicarboxylic acid; dicarboxylic fatty acid	human metabolite
4-propylphenol	[no description available]	medium	1	0	alkylbenzene
2-ethylhydracrylic acid	[no description available]	medium	1	0	branched-chain saturated fatty acid; hydroxy fatty acid; short-chain fatty acid	human metabolite
alpha-ketoglutaric acid	[no description available]	medium	5	0	oxo dicarboxylic acid	fundamental metabolite
methylmalonic acid	[no description available]	high	24	0	C4-dicarboxylic acid	human metabolite
maleic acid	[no description available]	medium	28	0	butenedioic acid	algal metabolite; mouse metabolite; plant metabolite
itaconic acid	[no description available]	medium	20	0	dicarboxylic acid; dicarboxylic fatty acid; olefinic compound	fungal metabolite; human metabolite
2-methylene-3-hexylbutanedioic acid	[no description available]	medium	1	0	medium-chain fatty acid
serine	[no description available]	medium	14	0	L-alpha-amino acid; proteinogenic amino acid; serine family amino acid; serine zwitterion; serine	algal metabolite; Escherichia coli metabolite; human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite
d-glutamate	[no description available]	medium	1	0	D-alpha-amino acid; glutamic acid	Escherichia coli metabolite; mouse metabolite
glutamic acid	[no description available]	high	222	0	glutamic acid; glutamine family amino acid; L-alpha-amino acid; proteinogenic amino acid	Escherichia coli metabolite; ferroptosis inducer; micronutrient; mouse metabolite; neurotransmitter; nutraceutical
d-aspartic acid	[no description available]	medium	2	0	aspartic acid; D-alpha-amino acid	mouse metabolite
cysteine sulfinic acid	[no description available]	medium	1	0	organosulfinic acid; S-substituted L-cysteine	Escherichia coli metabolite; human metabolite; metabotropic glutamate receptor agonist; mouse metabolite
2-amino-3-phenylmethoxybutanedioic acid	[no description available]	medium	1	0	aspartic acid derivative
quinolinic acid	[no description available]	medium	4	0	pyridinedicarboxylic acid	Escherichia coli metabolite; human metabolite; mouse metabolite; NMDA receptor agonist
vorinostat	[no description available]	medium	2	0	dicarboxylic acid diamide; hydroxamic acid	antineoplastic agent; apoptosis inducer; EC 3.5.1.98 (histone deacetylase) inhibitor
2,5-pyridinedicarboxylic acid	[no description available]	medium	1	0	pyridinedicarboxylic acid
3,4-pyridinedicarboxylic acid	[no description available]	medium	1	0	pyridinedicarboxylic acid
2,4-pyridinedicarboxylic acid	[no description available]	medium	5	0	pyridinedicarboxylic acid
3,5-pyridinedicarboxylic acid	[no description available]	medium	1	0	pyridinedicarboxylic acid
dipicolinic acid	[no description available]	medium	1	0	pyridinedicarboxylic acid	bacterial metabolite
trichostatin a	[no description available]	medium	2	0	antibiotic antifungal agent; hydroxamic acid; trichostatin	bacterial metabolite; EC 3.5.1.98 (histone deacetylase) inhibitor; geroprotector
fumaric acid	[no description available]	medium	132	0	butenedioic acid	food acidity regulator; fundamental metabolite; geroprotector
fumaric acid	[no description available]	medium	132	1	butenedioic acid	food acidity regulator; fundamental metabolite; geroprotector
oxalylglycine	[no description available]	medium	8	0	amino dicarboxylic acid; N-acylglycine	EC 1.14.11.* (oxidoreductase acting on paired donors, 2-oxoglutarate as one donor, incorporating 1 atom each of oxygen into both donors) inhibitor
2,3-dihydroxybenzoic acid	[no description available]	medium	2	0	dihydroxybenzoic acid	human xenobiotic metabolite; plant metabolite
gamma-aminobutyric acid	[no description available]	medium	39	0	amino acid zwitterion; gamma-amino acid; monocarboxylic acid	human metabolite; neurotransmitter; Saccharomyces cerevisiae metabolite; signalling molecule
anthranilic acid	[no description available]	medium	1	0	aminobenzoic acid	human metabolite; mouse metabolite
hippuric acid	[no description available]	medium	6	0	N-acylglycine	human blood serum metabolite; uremic toxin
3,4-dihydroxyphenylacetic acid	[no description available]	medium	3	0	catechols; dihydroxyphenylacetic acid	human metabolite
propionic acid	[no description available]	medium	42	0	saturated fatty acid; short-chain fatty acid	antifungal drug
mandelic acid	[no description available]	medium	1	0	2-hydroxy monocarboxylic acid; benzenes	antibacterial agent; human xenobiotic metabolite
oxyquinoline	[no description available]	medium	2	0	monohydroxyquinoline	antibacterial agent; antifungal agrochemical; antiseptic drug; iron chelator
baclofen	[no description available]	medium	2	0	amino acid zwitterion; gamma-amino acid; monocarboxylic acid; monochlorobenzenes; primary amino compound	central nervous system depressant; GABA agonist; muscle relaxant
kojic acid	[no description available]	medium	1	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
4-phenylbutyric acid	[no description available]	medium	1	0	monocarboxylic acid	antineoplastic agent; apoptosis inducer; EC 3.5.1.98 (histone deacetylase) inhibitor; prodrug
4-phenylbutyric acid, sodium salt	[no description available]	medium	1	0	organic sodium salt	EC 3.5.1.98 (histone deacetylase) inhibitor; geroprotector; neuroprotective agent; orphan drug; prodrug
valine	[no description available]	high	19	0	L-alpha-amino acid zwitterion; L-alpha-amino acid; proteinogenic amino acid; pyruvate family amino acid; valine	algal metabolite; Escherichia coli metabolite; human metabolite; micronutrient; mouse metabolite; nutraceutical; Saccharomyces cerevisiae metabolite
isobutyric acid	[no description available]	medium	4	0	branched-chain saturated fatty acid; fatty acid 4:0; methyl-branched fatty acid	Daphnia magna metabolite; plant metabolite; volatile oil component
n-pentanoic acid	[no description available]	medium	4	0	short-chain fatty acid; straight-chain saturated fatty acid	plant metabolite
vanillic acid	[no description available]	medium	4	0	methoxybenzoic acid; monohydroxybenzoic acid	plant metabolite
isovaleric acid	[no description available]	medium	7	0	branched-chain saturated fatty acid; methylbutyric acid; short-chain fatty acid	mammalian metabolite; plant metabolite
indole-2-carboxylic acid	[no description available]	medium	1	0	indolyl carboxylic acid
3,4-dihydroxyphenylpropionic acid	[no description available]	medium	1	0	(dihydroxyphenyl)propanoic acid	antioxidant; human xenobiotic metabolite
tartaric acid	[no description available]	medium	29	0	tartaric acid	Escherichia coli metabolite
e-z cinnamic acid	[no description available]	medium	5	0	cinnamic acid	plant metabolite
ferulic acid	[no description available]	medium	4	0	ferulic acids	anti-inflammatory agent; antioxidant; apoptosis inhibitor; cardioprotective agent; MALDI matrix material; plant metabolite
3-coumaric acid	[no description available]	medium	1	0	3-coumaric acid
sorbic acid	[no description available]	medium	3	0	alpha,beta-unsaturated monocarboxylic acid; sorbic acid
caffeic acid	[no description available]	medium	6	0	caffeic acid	geroprotector; mouse metabolite
chlorogenic acid	[no description available]	medium	3	0	cinnamate ester; tannin	food component; plant metabolite
chlorogenic acid	[no description available]	medium	3	1	cinnamate ester; tannin	food component; plant metabolite
sodium butyrate	[no description available]	medium	1	0	organic sodium salt	EC 3.5.1.98 (histone deacetylase) inhibitor; geroprotector
sodium lactate	[no description available]	medium	2	0	lactate salt; organic sodium salt	food acidity regulator; food preservative
succinamide	[no description available]	medium	1	0
glutaconic acid	[no description available]	medium	1	0	glutaconic acid
quinacrine	[no description available]	medium	3	0	acridines; aromatic ether; organochlorine compound; tertiary amino compound	antimalarial; EC 1.8.1.12 (trypanothione-disulfide reductase) inhibitor
benzyl alcohol	[no description available]	medium	2	0	benzyl alcohols	antioxidant; fragrance; metabolite; solvent
betaine	[no description available]	high	9	0	amino-acid betaine; glycine derivative	fundamental metabolite
lactic acid	[no description available]	medium	258	0	2-hydroxy monocarboxylic acid	algal metabolite; Daphnia magna metabolite
lactic acid	[no description available]	medium	258	2	2-hydroxy monocarboxylic acid	algal metabolite; Daphnia magna metabolite
glycine	[no description available]	high	38	0	alpha-amino acid; amino acid zwitterion; proteinogenic amino acid; serine family amino acid	EC 2.1.2.1 (glycine hydroxymethyltransferase) inhibitor; fundamental metabolite; hepatoprotective agent; micronutrient; neurotransmitter; NMDA receptor agonist; nutraceutical
glycerol	[no description available]	medium	110	0	alditol; triol	algal metabolite; detergent; Escherichia coli metabolite; geroprotector; human metabolite; mouse metabolite; osmolyte; Saccharomyces cerevisiae metabolite; solvent
alpha-glycerophosphoric acid	[no description available]	medium	14	0	glycerol monophosphate	algal metabolite; human metabolite
histamine	[no description available]	medium	8	0	aralkylamino compound; imidazoles	human metabolite; mouse metabolite; neurotransmitter
inositol	[no description available]	medium	11	0	cyclitol; hexol
niacin	[no description available]	medium	7	0	pyridine alkaloid; pyridinemonocarboxylic acid; vitamin B3	antidote; antilipemic drug; EC 3.5.1.19 (nicotinamidase) inhibitor; Escherichia coli metabolite; human urinary metabolite; metabolite; mouse metabolite; plant metabolite; vasodilator agent
methacholine	[no description available]	medium	1	0	acetate ester; quaternary ammonium ion	bronchoconstrictor agent; cholinergic agonist; epitope; muscarinic agonist; vasodilator agent
albendazole	[no description available]	medium	5	0	aryl sulfide; benzimidazoles; benzimidazolylcarbamate fungicide; carbamate ester	anthelminthic drug; microtubule-destabilising agent; tubulin modulator
albendazole	[no description available]	medium	5	1	aryl sulfide; benzimidazoles; benzimidazolylcarbamate fungicide; carbamate ester	anthelminthic drug; microtubule-destabilising agent; tubulin modulator
amantadine	[no description available]	medium	1	0	adamantanes; primary aliphatic amine	analgesic; antiparkinson drug; antiviral drug; dopaminergic agent; NMDA receptor antagonist; non-narcotic analgesic
ambroxol	[no description available]	medium	1	0	aromatic amine
aminoglutethimide	[no description available]	medium	2	0	dicarboximide; piperidones; substituted aniline	adrenergic agent; anticonvulsant; antineoplastic agent; EC 1.14.14.14 (aromatase) inhibitor
amiodarone	[no description available]	medium	3	0	1-benzofurans; aromatic ketone; organoiodine compound; tertiary amino compound	cardiovascular drug
amitriptyline	[no description available]	medium	1	0	carbotricyclic compound; tertiary amine	adrenergic uptake inhibitor; antidepressant; environmental contaminant; tropomyosin-related kinase B receptor agonist; xenobiotic
antazoline	[no description available]	medium	1	0	aromatic amine; imidazolines; tertiary amino compound	cholinergic antagonist; H1-receptor antagonist; xenobiotic
bendroflumethiazide	[no description available]	medium	1	0	benzothiadiazine; sulfonamide	antihypertensive agent; diuretic
benzquinamide	[no description available]	medium	1	0	monocarboxylic acid amide	antiemetic; antipsychotic agent; H1-receptor antagonist; muscarinic antagonist; sedative
bepridil	[no description available]	medium	1	0	pyrrolidines; tertiary amine	anti-arrhythmia drug; antihypertensive agent; calcium channel blocker; vasodilator agent
bethanidine	[no description available]	medium	1	0	guanidines	adrenergic antagonist; antihypertensive agent
betaxolol	[no description available]	medium	1	0	propanolamine	antihypertensive agent; beta-adrenergic antagonist; sympatholytic agent
bisacodyl	[no description available]	medium	1	0	diarylmethane
bromhexine	[no description available]	medium	1	0	organobromine compound; substituted aniline; tertiary amino compound	mucolytic
bunitrolol	[no description available]	medium	1	0	aromatic ether
bupranolol	[no description available]	medium	1	0	aromatic ether
buspirone	[no description available]	medium	1	0	azaspiro compound; N-alkylpiperazine; N-arylpiperazine; organic heteropolycyclic compound; piperidones; pyrimidines	anxiolytic drug; EC 3.4.21.26 (prolyl oligopeptidase) inhibitor; sedative; serotonergic agonist
butalbital	[no description available]	medium	1	0	barbiturates	analgesic; sedative
metrizoate	[no description available]	medium	1	0	monocarboxylic acid	radioopaque medium
carbamazepine	[no description available]	medium	5	0	dibenzoazepine; ureas	analgesic; anticonvulsant; antimanic drug; drug allergen; EC 3.5.1.98 (histone deacetylase) inhibitor; environmental contaminant; glutamate transporter activator; mitogen; non-narcotic analgesic; sodium channel blocker; xenobiotic
carbazochrome	[no description available]	medium	1	0
carbinoxamine	[no description available]	medium	1	0	monochlorobenzenes; pyridines; tertiary amino compound	anti-allergic agent; antiparkinson drug; H1-receptor antagonist; muscarinic antagonist
carmustine	[no description available]	medium	2	0	N-nitrosoureas; organochlorine compound	alkylating agent; antineoplastic agent
chlorcyclizine	[no description available]	medium	1	0	diarylmethane
chloroquine	[no description available]	medium	2	0	aminoquinoline; organochlorine compound; secondary amino compound; tertiary amino compound	anticoronaviral agent; antimalarial; antirheumatic drug; autophagy inhibitor; dermatologic drug
chloroquine	[no description available]	medium	2	1	aminoquinoline; organochlorine compound; secondary amino compound; tertiary amino compound	anticoronaviral agent; antimalarial; antirheumatic drug; autophagy inhibitor; dermatologic drug
chlorothiazide	[no description available]	medium	1	0	benzothiadiazine	antihypertensive agent; diuretic
chloroxine	[no description available]	medium	1	0	monohydroxyquinoline; organochlorine compound	antibacterial agent; antifungal drug; antiseborrheic
chlorpropamide	[no description available]	medium	1	0	monochlorobenzenes; N-sulfonylurea	hypoglycemic agent; insulin secretagogue
ciprofibrate	[no description available]	medium	1	0	cyclopropanes; monocarboxylic acid; organochlorine compound	antilipemic drug
citalopram	[no description available]	medium	1	0	2-benzofurans; cyclic ether; nitrile; organofluorine compound; tertiary amino compound
clioquinol	[no description available]	medium	1	0	monohydroxyquinoline; organochlorine compound; organoiodine compound	antibacterial agent; antifungal agent; antimicrobial agent; antineoplastic agent; antiprotozoal drug; chelator; copper chelator
clofazimine	[no description available]	medium	2	0	monochlorobenzenes; phenazines	dye; leprostatic drug; non-steroidal anti-inflammatory drug
clomipramine	[no description available]	medium	1	0	dibenzoazepine	anticoronaviral agent; antidepressant; EC 1.8.1.12 (trypanothione-disulfide reductase) inhibitor; serotonergic antagonist; serotonergic drug; serotonin uptake inhibitor
clonidine	[no description available]	medium	1	0	clonidine; imidazoline
cyclandelate	[no description available]	medium	1	0	carboxylic ester; secondary alcohol	vasodilator agent
cyclofenil	[no description available]	medium	1	0	organic molecular entity
debrisoquin	[no description available]	medium	1	0	carboxamidine; isoquinolines	adrenergic agent; antihypertensive agent; human metabolite; sympatholytic agent
amphetamine	[no description available]	medium	1	0	primary amine
dichlorphenamide	[no description available]	medium	1	0	dichlorobenzene; sulfonamide	antiglaucoma drug; EC 4.2.1.1 (carbonic anhydrase) inhibitor; ophthalmology drug
diphenidol	[no description available]	medium	1	0	benzenes; piperidines; tertiary alcohol	antiemetic
disopyramide	[no description available]	medium	1	0	monocarboxylic acid amide; pyridines; tertiary amino compound	anti-arrhythmia drug
doxylamine	[no description available]	medium	5	0	pyridines; tertiary amine	anti-allergic agent; antiemetic; antitussive; cholinergic antagonist; H1-receptor antagonist; histamine antagonist; sedative
dyphylline	[no description available]	medium	2	0	oxopurine; propane-1,2-diols	bronchodilator agent; EC 3.1.4.* (phosphoric diester hydrolase) inhibitor; muscle relaxant; vasodilator agent
profenamine	[no description available]	medium	1	0	phenothiazines; tertiary amino compound	adrenergic antagonist; antidyskinesia agent; antiparkinson drug; histamine antagonist; muscarinic antagonist
ethyl loflazepate	[no description available]	medium	1	0	organic molecular entity
etizolam	[no description available]	medium	1	0	organic molecular entity
brl 42810	[no description available]	medium	1	0	2-aminopurines; acetate ester	antiviral drug; prodrug
fenfluramine	[no description available]	medium	1	0	(trifluoromethyl)benzenes; secondary amino compound	appetite depressant; serotonergic agonist; serotonin uptake inhibitor
fenoprofen	[no description available]	medium	1	0	monocarboxylic acid	antipyretic; cyclooxygenase 1 inhibitor; cyclooxygenase 2 inhibitor; drug allergen; non-narcotic analgesic; non-steroidal anti-inflammatory drug
berotek	[no description available]	medium	1	0	resorcinols; secondary alcohol; secondary amino compound	beta-adrenergic agonist; bronchodilator agent; sympathomimetic agent; tocolytic agent
flavoxate	[no description available]	medium	1	0	carboxylic ester; flavones; piperidines; tertiary amino compound	antispasmodic drug; muscarinic antagonist; parasympatholytic
flecainide	[no description available]	medium	1	0	aromatic ether; monocarboxylic acid amide; organofluorine compound; piperidines	anti-arrhythmia drug
flufenamic acid	[no description available]	medium	3	0	aromatic amino acid; organofluorine compound	antipyretic; EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor; non-narcotic analgesic; non-steroidal anti-inflammatory drug
fluoxetine	[no description available]	medium	3	0	(trifluoromethyl)benzenes; aromatic ether; secondary amino compound
fluphenazine depot	[no description available]	medium	1	0	decanoate ester; N-alkylpiperazine; organofluorine compound; phenothiazines	dopaminergic antagonist; phenothiazine antipsychotic drug; prodrug
fluphenazine enanthate	[no description available]	medium	1	0	phenothiazines
flurazepam	[no description available]	medium	1	0	1,4-benzodiazepinone; monofluorobenzenes; organochlorine compound; tertiary amino compound	anticonvulsant; anxiolytic drug; GABAA receptor agonist; sedative
flutazolam	[no description available]	medium	1	0	hemiaminal ether; organic molecular entity
gemfibrozil	[no description available]	medium	2	0	aromatic ether	antilipemic drug
gemfibrozil	[no description available]	medium	2	1	aromatic ether	antilipemic drug
gliclazide	[no description available]	medium	1	0	N-sulfonylurea	hypoglycemic agent; insulin secretagogue; radical scavenger
guanethidine	[no description available]	medium	2	0	azocanes; guanidines	adrenergic antagonist; antihypertensive agent; sympatholytic agent
haloperidol	[no description available]	medium	2	0	aromatic ketone; hydroxypiperidine; monochlorobenzenes; organofluorine compound; tertiary alcohol	antidyskinesia agent; antiemetic; dopaminergic antagonist; first generation antipsychotic; serotonergic antagonist
hexylresorcinol	[no description available]	medium	1	0	resorcinols
homochlorocyclizine	[no description available]	medium	1	0	diarylmethane
hydralazine	[no description available]	medium	1	0	azaarene; hydrazines; ortho-fused heteroarene; phthalazines	antihypertensive agent; vasodilator agent
hydroflumethiazide	[no description available]	medium	1	0	benzothiadiazine; thiazide	antihypertensive agent; diuretic
hydroxyzine	[no description available]	medium	2	0	hydroxyether; monochlorobenzenes; N-alkylpiperazine	anticoronaviral agent; antipruritic drug; anxiolytic drug; dermatologic drug; H1-receptor antagonist
amrinone	[no description available]	medium	1	0	bipyridines	EC 3.1.4.* (phosphoric diester hydrolase) inhibitor
iodamide	[no description available]	medium	1	0	benzoic acids; organoiodine compound	radioopaque medium
iothalamic acid	[no description available]	medium	1	0	organic molecular entity
iodipamide	[no description available]	medium	1	0	benzoic acids; organoiodine compound; secondary carboxamide	radioopaque medium
isoniazid	[no description available]	medium	7	0	carbohydrazide	antitubercular agent; drug allergen
isopropamide iodide	[no description available]	medium	1	0	diarylmethane
isoxsuprine	[no description available]	medium	1	0	alkylbenzene
ketoconazole	[no description available]	medium	3	0	dichlorobenzene; dioxolane; ether; imidazoles; N-acylpiperazine; N-arylpiperazine
ketotifen	[no description available]	medium	1	0	cyclic ketone; olefinic compound; organic heterotricyclic compound; organosulfur heterocyclic compound; piperidines; tertiary amino compound	anti-asthmatic drug; H1-receptor antagonist
labetalol	[no description available]	medium	1	0	benzamides; benzenes; phenols; primary carboxamide; salicylamides; secondary alcohol; secondary amino compound
leflunomide	[no description available]	medium	1	0	(trifluoromethyl)benzenes; isoxazoles; monocarboxylic acid amide	antineoplastic agent; antiparasitic agent; EC 1.3.98.1 [dihydroorotate oxidase (fumarate)] inhibitor; EC 3.1.3.16 (phosphoprotein phosphatase) inhibitor; hepatotoxic agent; immunosuppressive agent; non-steroidal anti-inflammatory drug; prodrug; pyrimidine synthesis inhibitor; tyrosine kinase inhibitor
loratadine	[no description available]	medium	2	0	benzocycloheptapyridine; ethyl ester; N-acylpiperidine; organochlorine compound; tertiary carboxamide	anti-allergic agent; cholinergic antagonist; geroprotector; H1-receptor antagonist
loxapine	[no description available]	medium	1	0	dibenzooxazepine	antipsychotic agent; dopaminergic antagonist
maprotiline	[no description available]	medium	1	0	anthracenes
memantine	[no description available]	medium	1	0	adamantanes; primary aliphatic amine	antidepressant; antiparkinson drug; dopaminergic agent; neuroprotective agent; NMDA receptor antagonist
vitamin k 3	[no description available]	high	6	0	1,4-naphthoquinones; vitamin K	angiogenesis inhibitor; antineoplastic agent; EC 3.4.22.69 (SARS coronavirus main proteinase) inhibitor; human urinary metabolite; nutraceutical
mesoridazine	[no description available]	medium	1	0	phenothiazines; sulfoxide; tertiary amino compound	dopaminergic antagonist; first generation antipsychotic
metformin	[no description available]	medium	10	0	guanidines	environmental contaminant; geroprotector; hypoglycemic agent; xenobiotic
metformin	[no description available]	medium	10	1	guanidines	environmental contaminant; geroprotector; hypoglycemic agent; xenobiotic
methapyrilene	[no description available]	medium	1	0	ethylenediamine derivative	anti-allergic agent; carcinogenic agent; H1-receptor antagonist; sedative
methocarbamol	[no description available]	medium	1	0	aromatic ether; carbamate ester; secondary alcohol
methyprylon	[no description available]	medium	1	0	organic molecular entity
metoprolol	[no description available]	medium	1	0	aromatic ether; propanolamine; secondary alcohol; secondary amino compound	antihypertensive agent; beta-adrenergic antagonist; environmental contaminant; geroprotector; xenobiotic
metronidazole	[no description available]	medium	2	0	C-nitro compound; imidazoles; primary alcohol	antiamoebic agent; antibacterial drug; antimicrobial agent; antiparasitic agent; antitrichomonal drug; environmental contaminant; prodrug; radiosensitizing agent; xenobiotic
metyrapone	[no description available]	medium	4	0	aromatic ketone	antimetabolite; diagnostic agent; EC 1.14.15.4 (steroid 11beta-monooxygenase) inhibitor
mianserin	[no description available]	medium	1	0	dibenzoazepine	adrenergic uptake inhibitor; alpha-adrenergic antagonist; antidepressant; EC 3.4.21.26 (prolyl oligopeptidase) inhibitor; geroprotector; H1-receptor antagonist; histamine agonist; sedative; serotonergic antagonist
midazolam	[no description available]	medium	1	0	imidazobenzodiazepine; monofluorobenzenes; organochlorine compound	anticonvulsant; antineoplastic agent; anxiolytic drug; apoptosis inducer; central nervous system depressant; GABAA receptor agonist; general anaesthetic; muscle relaxant; sedative
modafinil	[no description available]	medium	1	0	monocarboxylic acid amide; sulfoxide
moxisylyte	[no description available]	medium	1	0	monoterpenoid
nalidixic acid	[no description available]	medium	1	0	1,8-naphthyridine derivative; monocarboxylic acid; quinolone antibiotic	antibacterial drug; antimicrobial agent; DNA synthesis inhibitor
nefazodone	[no description available]	medium	1	0	aromatic ether; monochlorobenzenes; N-alkylpiperazine; N-arylpiperazine; triazoles	alpha-adrenergic antagonist; analgesic; antidepressant; serotonergic antagonist; serotonin uptake inhibitor
nimetazepam	[no description available]	medium	1	0	1,4-benzodiazepinone; C-nitro compound	anticonvulsant; antispasmodic drug; GABA modulator; sedative
nimodipine	[no description available]	medium	1	0	2-methoxyethyl ester; C-nitro compound; dicarboxylic acids and O-substituted derivatives; diester; dihydropyridine; isopropyl ester	antihypertensive agent; calcium channel blocker; cardiovascular drug; vasodilator agent
nitrazepam	[no description available]	medium	1	0	1,4-benzodiazepinone; C-nitro compound	anticonvulsant; antispasmodic drug; drug metabolite; GABA modulator; sedative
nitrendipine	[no description available]	medium	1	0	C-nitro compound; dicarboxylic acids and O-substituted derivatives; diester; dihydropyridine; ethyl ester; methyl ester	antihypertensive agent; calcium channel blocker; geroprotector; vasodilator agent
nomifensine	[no description available]	medium	1	0	isoquinolines	dopamine uptake inhibitor
nortriptyline	[no description available]	medium	1	0	organic tricyclic compound; secondary amine	adrenergic uptake inhibitor; analgesic; antidepressant; antineoplastic agent; apoptosis inducer; drug metabolite
ofloxacin	[no description available]	medium	2	0	3-oxo monocarboxylic acid; N-arylpiperazine; N-methylpiperazine; organofluorine compound; oxazinoquinoline
ofloxacin	[no description available]	medium	2	1	3-oxo monocarboxylic acid; N-arylpiperazine; N-methylpiperazine; organofluorine compound; oxazinoquinoline
omeprazole	[no description available]	medium	2	0	aromatic ether; benzimidazoles; pyridines; sulfoxide
omeprazole	[no description available]	medium	2	1	aromatic ether; benzimidazoles; pyridines; sulfoxide
oxamniquine	[no description available]	medium	1	0	aromatic primary alcohol; C-nitro compound; quinolines; secondary amino compound
oxolinic acid	[no description available]	medium	1	0	aromatic carboxylic acid; organic heterotricyclic compound; oxacycle; quinolinemonocarboxylic acid; quinolone antibiotic	antibacterial drug; antifungal agent; antiinfective agent; antimicrobial agent; enzyme inhibitor
pargyline	[no description available]	medium	3	0	aromatic amine
pentobarbital	[no description available]	medium	5	0	barbiturates	GABAA receptor agonist
pentoxifylline	[no description available]	medium	2	0	oxopurine
perhexiline	[no description available]	medium	1	0	piperidines	cardiovascular drug
phenacemide	[no description available]	medium	1	0	acetamides
phenazopyridine	[no description available]	medium	1	0	diaminopyridine; monoazo compound	anticoronaviral agent; carcinogenic agent; local anaesthetic; non-narcotic analgesic
phenindione	[no description available]	medium	1	0	aromatic ketone; beta-diketone	anticoagulant
pheniramine	[no description available]	medium	1	0	pyridines; tertiary amino compound
phenolphthalein	[no description available]	medium	1	0	phenols
phentermine	[no description available]	medium	1	0	primary amine	adrenergic agent; appetite depressant; central nervous system drug; central nervous system stimulant; dopaminergic agent; sympathomimetic agent
pindolol	[no description available]	medium	1	0	indoles; secondary amine	antiglaucoma drug; antihypertensive agent; beta-adrenergic antagonist; serotonergic antagonist; vasodilator agent
pyranoprofen	[no description available]	medium	1	0	pyridochromene
procainamide	[no description available]	medium	2	0	benzamides	anti-arrhythmia drug; platelet aggregation inhibitor; sodium channel blocker
proglumide	[no description available]	medium	1	0	benzamides; dicarboxylic acid monoamide; glutamine derivative; racemate	anti-ulcer drug; cholecystokinin antagonist; cholinergic antagonist; delta-opioid receptor agonist; drug metabolite; gastrointestinal drug; opioid analgesic; xenobiotic metabolite
promethazine	[no description available]	medium	1	0	phenothiazines; tertiary amine	anti-allergic agent; anticoronaviral agent; antiemetic; antipruritic drug; H1-receptor antagonist; local anaesthetic; sedative
propiomazine	[no description available]	medium	1	0	aromatic ketone; phenothiazines; tertiary amino compound	dopaminergic antagonist; histamine antagonist; muscarinic antagonist; phenothiazine antipsychotic drug; sedative; serotonergic antagonist
propranolol	[no description available]	medium	5	0	naphthalenes; propanolamine; secondary amine	anti-arrhythmia drug; antihypertensive agent; anxiolytic drug; beta-adrenergic antagonist; environmental contaminant; human blood serum metabolite; vasodilator agent; xenobiotic
protriptyline	[no description available]	medium	1	0	carbotricyclic compound	antidepressant
proxyphylline	[no description available]	medium	1	0	oxopurine
rizatriptan	[no description available]	medium	1	0	tryptamines	anti-inflammatory drug; serotonergic agonist; vasoconstrictor agent
rofecoxib	[no description available]	medium	1	0	butenolide; sulfone	analgesic; cyclooxygenase 2 inhibitor; non-steroidal anti-inflammatory drug
salicylsalicylic acid	[no description available]	medium	1	0	benzoate ester; benzoic acids; phenols; salicylates	antineoplastic agent; antirheumatic drug; EC 3.5.2.6 (beta-lactamase) inhibitor; hypoglycemic agent; non-narcotic analgesic; non-steroidal anti-inflammatory drug; prodrug
secobarbital	[no description available]	medium	2	0	barbiturates	anaesthesia adjuvant; GABA modulator; sedative
ipodate	[no description available]	medium	1	0
sotalol	[no description available]	medium	1	0	ethanolamines; secondary alcohol; secondary amino compound; sulfonamide	anti-arrhythmia drug; beta-adrenergic antagonist; environmental contaminant; xenobiotic
succinylcholine	[no description available]	medium	5	0	quaternary ammonium ion; succinate ester	drug allergen; muscle relaxant; neuromuscular agent
sulfadimethoxine	[no description available]	medium	1	0	aromatic ether; pyrimidines; substituted aniline; sulfonamide antibiotic; sulfonamide	antiinfective agent; antimicrobial agent; drug allergen; environmental contaminant; xenobiotic
sulfamethoxazole	[no description available]	medium	1	0	isoxazoles; substituted aniline; sulfonamide antibiotic; sulfonamide	antibacterial agent; antiinfective agent; antimicrobial agent; drug allergen; EC 1.1.1.153 [sepiapterin reductase (L-erythro-7,8-dihydrobiopterin forming)] inhibitor; EC 2.5.1.15 (dihydropteroate synthase) inhibitor; environmental contaminant; epitope; P450 inhibitor; xenobiotic
sulfobromophthalein	[no description available]	medium	2	0	2-benzofurans; organobromine compound; organosulfonic acid; phenols	dye
sumatriptan	[no description available]	medium	2	0	sulfonamide; tryptamines	serotonergic agonist; vasoconstrictor agent
suramin	[no description available]	medium	3	0	naphthalenesulfonic acid; phenylureas; secondary carboxamide	angiogenesis inhibitor; antinematodal drug; antineoplastic agent; apoptosis inhibitor; EC 2.7.11.13 (protein kinase C) inhibitor; GABA antagonist; GABA-gated chloride channel antagonist; purinergic receptor P2 antagonist; ryanodine receptor agonist; trypanocidal drug
terazosin	[no description available]	medium	1	0	furans; piperazines; primary amino compound; quinazolines	alpha-adrenergic antagonist; antihypertensive agent; antineoplastic agent
terbutaline	[no description available]	medium	1	0	phenylethanolamines; resorcinols	anti-asthmatic drug; beta-adrenergic agonist; bronchodilator agent; EC 3.1.1.7 (acetylcholinesterase) inhibitor; hypoglycemic agent; sympathomimetic agent; tocolytic agent
thalidomide	[no description available]	medium	1	0	phthalimides; piperidones
tiaramide	[no description available]	medium	1	0	benzothiazoles
ticlopidine	[no description available]	medium	1	0	monochlorobenzenes; thienopyridine	anticoagulant; fibrin modulating drug; hematologic agent; P2Y12 receptor antagonist; platelet aggregation inhibitor
tilorone	[no description available]	medium	1	0	aromatic ether; diether; fluoren-9-ones; tertiary amino compound	anti-inflammatory agent; antineoplastic agent; antiviral agent; interferon inducer; nicotinic acetylcholine receptor agonist
tiopronin	[no description available]	medium	1	0	N-acyl-amino acid
tizanidine	[no description available]	medium	1	0	benzothiadiazole; imidazoles	alpha-adrenergic agonist; muscle relaxant
tolperisone	[no description available]	medium	1	0	aromatic ketone
ultram	[no description available]	medium	1	0	aromatic ether; tertiary alcohol; tertiary amino compound
trichlormethiazide	[no description available]	medium	1	0	benzothiadiazine; sulfonamide antibiotic	antihypertensive agent; diuretic
trifluperidol	[no description available]	medium	1	0	aromatic ketone
trimebutine	[no description available]	medium	2	0	trihydroxybenzoic acid
trimethadione	[no description available]	medium	1	0	oxazolidinone	anticonvulsant; geroprotector
trimethoprim	[no description available]	medium	1	0	aminopyrimidine; methoxybenzenes	antibacterial drug; diuretic; drug allergen; EC 1.5.1.3 (dihydrofolate reductase) inhibitor; environmental contaminant; xenobiotic
trimipramine	[no description available]	medium	1	0	dibenzoazepine; tertiary amino compound	antidepressant; environmental contaminant; xenobiotic
tripelennamine	[no description available]	medium	1	0	aromatic amine
troglitazone	[no description available]	medium	1	0	chromanes; thiazolidinone	anticoagulant; anticonvulsant; antineoplastic agent; antioxidant; EC 6.2.1.3 (long-chain-fatty-acid--CoA ligase) inhibitor; ferroptosis inhibitor; hypoglycemic agent; platelet aggregation inhibitor; vasodilator agent
delavirdine	[no description available]	medium	1	0	aminopyridine; indolecarboxamide; N-acylpiperazine; sulfonamide	antiviral drug; HIV-1 reverse transcriptase inhibitor
venlafaxine	[no description available]	medium	1	0	cyclohexanols; monomethoxybenzene; tertiary alcohol; tertiary amino compound	adrenergic uptake inhibitor; analgesic; antidepressant; dopamine uptake inhibitor; environmental contaminant; serotonin uptake inhibitor; xenobiotic
lysergic acid diethylamide	[no description available]	medium	2	0	ergoline alkaloid; monocarboxylic acid amide; organic heterotetracyclic compound	dopamine agonist; hallucinogen; serotonergic agonist
phentolamine	[no description available]	medium	1	0	imidazoles; phenols; substituted aniline; tertiary amino compound	alpha-adrenergic antagonist; vasodilator agent
sorbitol	[no description available]	medium	6	0	glucitol	cathartic; Escherichia coli metabolite; food humectant; human metabolite; laxative; metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite; sweetening agent
sorbitol	[no description available]	medium	6	1	glucitol	cathartic; Escherichia coli metabolite; food humectant; human metabolite; laxative; metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite; sweetening agent
floxuridine	[no description available]	medium	1	0	nucleoside analogue; organofluorine compound; pyrimidine 2'-deoxyribonucleoside	antimetabolite; antineoplastic agent; antiviral drug; radiosensitizing agent
norethindrone acetate	[no description available]	medium	1	0	3-oxo-Delta(4) steroid; acetate ester; terminal acetylenic compound	progestin; synthetic oral contraceptive
cyclobarbital	[no description available]	medium	1	0	barbiturates
norethandrolone	[no description available]	medium	1	0	corticosteroid hormone
oxandrolone	[no description available]	medium	1	0	17beta-hydroxy steroid; 3-oxo steroid; anabolic androgenic steroid; oxa-steroid	anabolic agent; androgen
pilocarpine	[no description available]	medium	2	0	pilocarpine	antiglaucoma drug
desoxycorticosterone acetate	[no description available]	medium	1	0	corticosteroid hormone
lysine	[no description available]	high	83	0	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
ethinyl estradiol	[no description available]	medium	1	0	17-hydroxy steroid; 3-hydroxy steroid; terminal acetylenic compound	xenoestrogen
cysteamine	[no description available]	medium	1	0	amine; thiol	geroprotector; human metabolite; mouse metabolite; radiation protective agent
bretylium tosylate	[no description available]	medium	1	0	organosulfonate salt; quaternary ammonium salt	adrenergic antagonist; anti-arrhythmia drug; antihypertensive agent
leucine	[no description available]	medium	16	0	amino acid zwitterion; L-alpha-amino acid; leucine; proteinogenic amino acid; pyruvate family amino acid	algal metabolite; Escherichia coli metabolite; human metabolite; mouse metabolite; plant metabolite; Saccharomyces cerevisiae metabolite
gallamine triethiodide	[no description available]	medium	1	0
cytarabine	[no description available]	medium	1	0	beta-D-arabinoside; monosaccharide derivative; pyrimidine nucleoside	antimetabolite; antineoplastic agent; antiviral agent; immunosuppressive agent
4-hydroxypropiophenone	[no description available]	medium	1	0	acetophenones
methandrostenolone	[no description available]	medium	1	0	organic molecular entity
quinethazone	[no description available]	medium	1	0	quinazolines	antihypertensive agent; diuretic
tribromoethanol	[no description available]	medium	1	0	alcohol; organobromine compound
mepenzolate bromide	[no description available]	medium	1	0	diarylmethane
carbromal	[no description available]	medium	1	0	N-acylurea
triparanol	[no description available]	medium	1	0	stilbenoid	anticoronaviral agent
pantothenic acid	[no description available]	medium	3	0	pantothenic acid; vitamin B5	antidote to curare poisoning; geroprotector; human blood serum metabolite
cyclizine	[no description available]	medium	1	0	N-alkylpiperazine	antiemetic; central nervous system depressant; cholinergic antagonist; H1-receptor antagonist; local anaesthetic
buclizine	[no description available]	medium	1	0	monochlorobenzenes; N-alkylpiperazine	antiemetic; central nervous system depressant; cholinergic antagonist; histamine antagonist; local anaesthetic
thiopropazate	[no description available]	medium	1	0	acetate ester; N-alkylpiperazine; organochlorine compound; phenothiazines	dopaminergic antagonist; phenothiazine antipsychotic drug
acetrizoic acid	[no description available]	medium	1	0	aminobenzoic acid
penicillin v	[no description available]	medium	1	0	penicillin allergen; penicillin
pseudoephedrine	[no description available]	medium	1	0	phenylethanolamines; secondary alcohol; secondary amino compound	anti-asthmatic drug; bronchodilator agent; central nervous system drug; nasal decongestant; plant metabolite; sympathomimetic agent; vasoconstrictor agent; xenobiotic
propylparaben	[no description available]	medium	8	0	benzoate ester; paraben; phenols	antifungal agent; antimicrobial agent
methylparaben	[no description available]	medium	1	0	paraben	antifungal agent; antimicrobial food preservative; neuroprotective agent; plant metabolite
estradiol dipropionate	[no description available]	medium	1	0	steroid ester
paramethadione	[no description available]	medium	1	0	oxazolidinone	anticonvulsant
framycetin	[no description available]	medium	3	0	aminoglycoside	allergen; antibacterial drug; Escherichia coli metabolite
framycetin	[no description available]	medium	3	1	aminoglycoside	allergen; antibacterial drug; Escherichia coli metabolite
anileridine	[no description available]	medium	1	0	ethyl ester; piperidinecarboxylate ester; substituted aniline	opioid analgesic; opioid receptor agonist
ditiocarb	[no description available]	medium	3	0	dithiocarbamic acids	chelator; copper chelator
sulfalene	[no description available]	medium	1	0	pyrazines; sulfonamide antibiotic; sulfonamide
propantheline bromide	[no description available]	medium	1	0	xanthenes
chlormadinone acetate	[no description available]	medium	1	0	corticosteroid hormone
norchlorcyclizine	[no description available]	medium	1	0
evans blue	[no description available]	medium	1	0	organic sodium salt	fluorochrome; histological dye; sodium channel blocker; teratogenic agent
opipramol	[no description available]	medium	1	0	dibenzoazepine
carbutamide	[no description available]	medium	1	0	benzenes; sulfonamide
glymidine	[no description available]	medium	1	0	diether; pyrimidines; sulfonamide	hypoglycemic agent
N-[(2-chlorophenyl)methyl]-1-[4-[[(2-chlorophenyl)methylamino]methyl]cyclohexyl]methanamine	[no description available]	medium	1	0	aromatic amine
prenylamine	[no description available]	medium	1	0	diarylmethane
nandrolone	[no description available]	medium	2	0	17beta-hydroxy steroid; 3-oxo-Delta(4) steroid; anabolic androgenic steroid	human metabolite
thiazolidine-4-carboxylic acid	[no description available]	medium	1	0	alpha-amino acid zwitterion; non-proteinogenic alpha-amino acid; sulfur-containing amino acid; thiazolidinemonocarboxylic acid	antidote; antioxidant; hepatoprotective agent
chlorphentermine	[no description available]	medium	1	0	amphetamines
dextropropoxyphene	[no description available]	medium	1	0	1-benzyl-3-(dimethylamino)-2-methyl-1-phenylpropyl propanoate	mu-opioid receptor agonist; opioid analgesic
lucanthone	[no description available]	medium	1	0	thioxanthenes	adjuvant; antineoplastic agent; EC 5.99.1.2 (DNA topoisomerase) inhibitor; EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor; mutagen; photosensitizing agent; prodrug; schistosomicide drug
dichloralantipyrine	[no description available]	medium	1	0
emetine	[no description available]	medium	2	0	isoquinoline alkaloid; pyridoisoquinoline	antiamoebic agent; anticoronaviral agent; antiinfective agent; antimalarial; antineoplastic agent; antiprotozoal drug; antiviral agent; autophagy inhibitor; emetic; expectorant; plant metabolite; protein synthesis inhibitor
dihydralazine	[no description available]	medium	1	0	phthalazines
methallenestril	[no description available]	medium	1	0	naphthalenes
androstenediol	[no description available]	medium	1	0	17beta-hydroxy steroid; 3beta-hydroxy-Delta(5)-steroid	androgen; human metabolite; mouse metabolite; radiation protective agent
levocarnitine	[no description available]	medium	1	0	carnitine	antilipemic drug; nootropic agent; nutraceutical; Saccharomyces cerevisiae metabolite; water-soluble vitamin (role)
decamethonium dibromide	[no description available]	medium	1	0
thiphenamil	[no description available]	medium	1	0	diarylmethane
metahexamide	[no description available]	medium	1	0	benzenes; sulfonamide
phenindamine	[no description available]	medium	1	0	indene
2-amino-2-methyl-1-propanol	[no description available]	medium	1	0
phendimetrazine	[no description available]	medium	1	0
trimetozine	[no description available]	medium	1	0	morpholines
erythromycin	[no description available]	medium	2	0	cyclic ketone; erythromycin
butaperazine	[no description available]	medium	1	0	phenothiazines
vinblastine	[no description available]	medium	1	0
oxolamine	[no description available]	medium	1	0	oxadiazole; ring assembly
ethylestrenol	[no description available]	medium	1	0	17beta-hydroxy steroid; tertiary alcohol	anabolic agent
dehydroepiandrosterone acetate	[no description available]	medium	1	0	steroid ester
metaxalone	[no description available]	medium	1	0	aromatic ether
spectinomycin	[no description available]	medium	1	0	cyclic acetal; cyclic hemiketal; cyclic ketone; pyranobenzodioxin; secondary alcohol; secondary amino compound	antibacterial drug; antimicrobial agent; bacterial metabolite
paraquat	[no description available]	medium	6	0	organic cation	geroprotector; herbicide
clothiapine	[no description available]	medium	1	0	dibenzothiazepine
azaribine	[no description available]	medium	1	0	acetate ester; N-glycosyl-1,2,4-triazine	antipsoriatic; prodrug
sulfadoxine	[no description available]	medium	1	0	pyrimidines; sulfonamide	antibacterial drug; antimalarial
acetophenazine	[no description available]	medium	1	0	N-(2-hydroxyethyl)piperazine; N-alkylpiperazine; phenothiazines	phenothiazine antipsychotic drug
cephaloglycin	[no description available]	medium	2	0	beta-lactam antibiotic allergen; cephalosporin	antimicrobial agent
streptomycin	[no description available]	medium	3	0	antibiotic antifungal drug; antibiotic fungicide; streptomycins	antibacterial drug; antifungal agrochemical; antimicrobial agent; antimicrobial drug; bacterial metabolite; protein synthesis inhibitor
noxiptilin	[no description available]	medium	1	0	organic tricyclic compound
benorilate	[no description available]	medium	1	0	carbonyl compound
metocurine	[no description available]	medium	1	0	isoquinolines
floxacillin	[no description available]	medium	1	0	penicillin allergen; penicillin	antibacterial drug
clomacran	[no description available]	medium	1	0	acridines
iprindole	[no description available]	medium	1	0	indoles
isometheptene	[no description available]	medium	1	0	secondary amino compound
olsalazine	[no description available]	medium	1	0	azobenzenes; dicarboxylic acid	non-steroidal anti-inflammatory drug; prodrug
molindone	[no description available]	medium	1	0	indoles
hexocyclium	[no description available]	medium	1	0	amine
ancitabine	[no description available]	medium	1	0	diol; organic heterotricyclic compound	antimetabolite; antineoplastic agent; prodrug
clortermine	[no description available]	medium	1	0	amphetamines
nicofuranose	[no description available]	medium	1	0	organooxygen compound
apazone	[no description available]	medium	1	0	benzotriazines	non-steroidal anti-inflammatory drug; uricosuric drug
cloforex	[no description available]	medium	1	0	amphetamines
selegiline	[no description available]	medium	1	0	selegiline; terminal acetylenic compound	geroprotector
levamisole	[no description available]	medium	4	0	6-phenyl-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole	antinematodal drug; antirheumatic drug; EC 3.1.3.1 (alkaline phosphatase) inhibitor; immunological adjuvant; immunomodulator
clobutinol	[no description available]	medium	1	0	benzenes; organic amino compound
thiamphenicol	[no description available]	medium	1	0	monocarboxylic acid amide; sulfone	antimicrobial agent; immunosuppressive agent
isosorbide-5-mononitrate	[no description available]	medium	1	0	glucitol derivative; nitrate ester	nitric oxide donor; vasodilator agent
razoxane	[no description available]	medium	1	0	N-alkylpiperazine
fludarabine phosphate	[no description available]	medium	1	0	nucleoside analogue; organofluorine compound; purine arabinonucleoside monophosphate	antimetabolite; antineoplastic agent; antiviral agent; DNA synthesis inhibitor; immunosuppressive agent; prodrug
proquazone	[no description available]	medium	1	0	pyrimidines
halazepam	[no description available]	medium	1	0	organic molecular entity
ripazepam	[no description available]	medium	1	0	benzenes
amoxicillin	[no description available]	medium	2	0	penicillin allergen; penicillin	antibacterial drug
indoramin	[no description available]	medium	1	0	tryptamines
moricizine	[no description available]	medium	2	0	carbamate ester; morpholines; phenothiazines	anti-arrhythmia drug
feprazone	[no description available]	medium	1	0	organic molecular entity
tobramycin	[no description available]	medium	2	0	amino cyclitol glycoside	antibacterial agent; antimicrobial agent; toxin
etoposide	[no description available]	medium	1	0	beta-D-glucoside; furonaphthodioxole; organic heterotetracyclic compound	antineoplastic agent; DNA synthesis inhibitor
halofantrine	[no description available]	medium	1	0	phenanthrenes
etidocaine	[no description available]	medium	1	0	amino acid amide	local anaesthetic
ribavirin	[no description available]	medium	1	0	1-ribosyltriazole; aromatic amide; monocarboxylic acid amide; primary carboxamide	anticoronaviral agent; antiinfective agent; antimetabolite; antiviral agent; EC 2.7.7.49 (RNA-directed DNA polymerase) inhibitor
amikacin	[no description available]	medium	2	0	alpha-D-glucoside; amino cyclitol glycoside; aminoglycoside; carboxamide	antibacterial drug; antimicrobial agent; nephrotoxin
methyldopa	[no description available]	medium	1	0	L-tyrosine derivative; non-proteinogenic L-alpha-amino acid	alpha-adrenergic agonist; antihypertensive agent; hapten; peripheral nervous system drug; sympatholytic agent
epirubicin	[no description available]	medium	1	0	aminoglycoside; anthracycline antibiotic; anthracycline; deoxy hexoside; monosaccharide derivative; p-quinones; primary alpha-hydroxy ketone; tertiary alpha-hydroxy ketone	antimicrobial agent; antineoplastic agent; EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor
prenalterol	[no description available]	medium	1	0	aromatic ether
lorcainide	[no description available]	medium	1	0	acetamides
idarubicin	[no description available]	medium	1	0	anthracycline antibiotic; deoxy hexoside; monosaccharide derivative
atracurium	[no description available]	medium	1	0	diester; quaternary ammonium ion	muscle relaxant; nicotinic antagonist
pergolide	[no description available]	medium	1	0	diamine; methyl sulfide; organic heterotetracyclic compound	antiparkinson drug; dopamine agonist
doxofylline	[no description available]	medium	1	0	oxopurine	anti-asthmatic drug; antitussive; bronchodilator agent
alfentanil	[no description available]	medium	1	0	monocarboxylic acid amide; piperidines	central nervous system depressant; intravenous anaesthetic; mu-opioid receptor agonist; opioid analgesic; peripheral nervous system drug
cefotetan	[no description available]	medium	1	0
quinapril	[no description available]	medium	1	0	dicarboxylic acid monoester; ethyl ester; isoquinolines; tertiary carboxamide	antihypertensive agent; EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor; prodrug
esmolol	[no description available]	medium	1	0	aromatic ether; ethanolamines; methyl ester; secondary alcohol; secondary amino compound
tiagabine	[no description available]	medium	1	0	beta-amino acid; piperidinemonocarboxylic acid; tertiary amino compound; thiophenes	anticonvulsant; GABA reuptake inhibitor
lamivudine	[no description available]	medium	1	0	monothioacetal; nucleoside analogue; oxacycle; primary alcohol	allergen; anti-HBV agent; antiviral drug; EC 2.7.7.49 (RNA-directed DNA polymerase) inhibitor; HIV-1 reverse transcriptase inhibitor; prodrug
ziprasidone	[no description available]	medium	2	0	1,2-benzisothiazole; indolones; organochlorine compound; piperazines	antipsychotic agent; dopaminergic antagonist; histamine antagonist; muscarinic antagonist; psychotropic drug; serotonergic antagonist
adenosine	[no description available]	high	8	2	adenosines; purines D-ribonucleoside	analgesic; anti-arrhythmia drug; fundamental metabolite; human metabolite; vasodilator agent
adenosine	[no description available]	high	8	0	adenosines; purines D-ribonucleoside	analgesic; anti-arrhythmia drug; fundamental metabolite; human metabolite; vasodilator agent
ceftezole	[no description available]	medium	1	0	cephalosporin; thiadiazoles
hexestrol bis(diethylaminoethyl ether)	[no description available]	medium	1	0	stilbenoid
disobutamide	[no description available]	medium	1	0	acetamides
sertraline	[no description available]	medium	1	0	dichlorobenzene; secondary amino compound; tetralins	antidepressant; serotonin uptake inhibitor
dipropylacetamide	[no description available]	medium	1	0	fatty amide	geroprotector; metabolite; teratogenic agent
clociguanil	[no description available]	medium	1	0
lividomycin	[no description available]	medium	1	0	lividomycins	metabolite
gentamicin c1	[no description available]	medium	1	0
2-(4'-methylpiperazino-1-methyl)-1,3-diazafluoranthene 1-oxide	[no description available]	medium	1	0
clarithromycin	[no description available]	medium	1	0	macrolide antibiotic	antibacterial drug; environmental contaminant; protein synthesis inhibitor; xenobiotic
moexipril	[no description available]	medium	1	0	peptide
sennoside B	[no description available]	medium	1	0	oxo dicarboxylic acid; sennosides
dimethacrine	[no description available]	medium	1	0	acridines
perindopril	[no description available]	medium	1	0	alpha-amino acid ester; dicarboxylic acid monoester; ethyl ester; organic heterobicyclic compound	antihypertensive agent; EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor
5-hydroxydopamine	[no description available]	medium	1	0	catecholamine
tazobactam	[no description available]	medium	1	0	penicillanic acids; triazoles	antiinfective agent; antimicrobial agent; EC 3.5.2.6 (beta-lactamase) inhibitor
xylose	[no description available]	medium	33	0	D-xylose
levofloxacin	[no description available]	medium	1	0	9-fluoro-3-methyl-10-(4-methylpiperazin-1-yl)-7-oxo-2,3-dihydro-7H-[1,4]oxazino[2,3,4-ij]quinoline-6-carboxylic acid; fluoroquinolone antibiotic; quinolone antibiotic	antibacterial drug; DNA synthesis inhibitor; EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor; topoisomerase IV inhibitor
clofibride	[no description available]	medium	1	0	monocarboxylic acid
aminopterin	[no description available]	medium	1	0	dicarboxylic acid	EC 1.5.1.3 (dihydrofolate reductase) inhibitor; mutagen
l 694,458	[no description available]	medium	1	0
carbocysteine	[no description available]	medium	1	0	L-cysteine thioether; non-proteinogenic L-alpha-amino acid	mucolytic
dromostanolone propionate	[no description available]	medium	1	0	3-oxo-5alpha-steroid; steroid ester	antineoplastic agent
phenethicillin	[no description available]	medium	1	0	penicillin allergen; penicillin
bekanamycin	[no description available]	medium	1	0	kanamycins
strychnine	[no description available]	medium	1	0	monoterpenoid indole alkaloid; organic heteroheptacyclic compound	avicide; cholinergic antagonist; glycine receptor antagonist; neurotransmitter agent; rodenticide
netilmicin	[no description available]	medium	1	0
hetacillin	[no description available]	medium	1	0	penicillin	antibacterial drug
medigoxin	[no description available]	medium	1	0	cardenolide glycoside
betamethasone acetate	[no description available]	medium	1	0	11beta-hydroxy steroid; 17alpha-hydroxy steroid; 20-oxo steroid; 3-oxo-Delta(1),Delta(4)-steroid; acetate ester; fluorinated steroid; steroid ester; tertiary alpha-hydroxy ketone
retinol	[no description available]	medium	4	0	retinol; vitamin A	human metabolite; mouse metabolite; plant metabolite
clindamycin	[no description available]	medium	1	0
zithromax	[no description available]	medium	1	0	macrolide antibiotic	antibacterial drug; environmental contaminant; xenobiotic
melphalan	[no description available]	medium	1	0	L-phenylalanine derivative; nitrogen mustard; non-proteinogenic L-alpha-amino acid; organochlorine compound	alkylating agent; antineoplastic agent; carcinogenic agent; drug allergen; immunosuppressive agent
dibekacin	[no description available]	medium	1	0	kanamycins	antibacterial agent; protein synthesis inhibitor
riboflavin	[no description available]	high	7	2	flavin; vitamin B2	anti-inflammatory agent; antioxidant; cofactor; Escherichia coli metabolite; food colouring; fundamental metabolite; human urinary metabolite; mouse metabolite; photosensitizing agent; plant metabolite
riboflavin	[no description available]	high	7	0	flavin; vitamin B2	anti-inflammatory agent; antioxidant; cofactor; Escherichia coli metabolite; food colouring; fundamental metabolite; human urinary metabolite; mouse metabolite; photosensitizing agent; plant metabolite
flavin mononucleotide	[no description available]	medium	1	0	flavin mononucleotide; vitamin B2	bacterial metabolite; coenzyme; cofactor; human metabolite; mouse metabolite
mezlocillin	[no description available]	medium	1	0	penicillin allergen; penicillin	antibacterial drug
mitobronitol	[no description available]	medium	1	0	alcohol; organobromine compound
prednisolone hemisuccinate	[no description available]	medium	2	0	11beta-hydroxy steroid; 17alpha-hydroxy steroid; 20-oxo steroid; 3-oxo-Delta(1),Delta(4)-steroid; hemisuccinate; tertiary alpha-hydroxy ketone	anti-inflammatory drug
octotropine methylbromide	[no description available]	medium	1	0
nsc 4347	[no description available]	medium	1	0
etomidate	[no description available]	medium	2	0	ethyl ester; imidazoles	intravenous anaesthetic; sedative
mercaptopurine	[no description available]	medium	1	0	aryl thiol; purines; thiocarbonyl compound	anticoronaviral agent; antimetabolite; antineoplastic agent
lobeline	[no description available]	medium	1	0
thiothixene	[no description available]	medium	1	0	N-methylpiperazine	anticoronaviral agent
benztropine	[no description available]	medium	1	0	diarylmethane
thiouracil	[no description available]	medium	1	0	nucleobase analogue; thiocarbonyl compound	antithyroid drug; metabolite
terbinafine	[no description available]	medium	1	0	acetylenic compound; allylamine antifungal drug; enyne; naphthalenes; tertiary amine	EC 1.14.13.132 (squalene monooxygenase) inhibitor; P450 inhibitor; sterol biosynthesis inhibitor
1,4-benzoquinone guanylhydrazone thiosemicarbazone	[no description available]	medium	1	0
digoxin	[no description available]	medium	1	0	cardenolide glycoside; steroid saponin	anti-arrhythmia drug; cardiotonic drug; EC 3.6.3.9 (Na(+)/K(+)-transporting ATPase) inhibitor; epitope
tamoxifen	[no description available]	medium	1	0	stilbenoid; tertiary amino compound	angiogenesis inhibitor; antineoplastic agent; bone density conservation agent; EC 1.2.3.1 (aldehyde oxidase) inhibitor; EC 2.7.11.13 (protein kinase C) inhibitor; estrogen antagonist; estrogen receptor antagonist; estrogen receptor modulator
zeranol	[no description available]	medium	1	0	macrolide
thiopental	[no description available]	medium	8	0	barbiturates	anticonvulsant; drug allergen; environmental contaminant; intravenous anaesthetic; sedative; xenobiotic
toremifene	[no description available]	medium	1	0	aromatic ether; organochlorine compound; tertiary amine	antineoplastic agent; bone density conservation agent; estrogen antagonist; estrogen receptor modulator
albutoin	[no description available]	medium	1	0	organonitrogen compound; organooxygen compound
iodothiouracil	[no description available]	medium	1	0	organohalogen compound; pyrimidines
tolcapone	[no description available]	medium	1	0	2-nitrophenols; benzophenones; catechols	antiparkinson drug; EC 2.1.1.6 (catechol O-methyltransferase) inhibitor
bilirubin	[no description available]	medium	4	0	biladienes; dicarboxylic acid	antioxidant; human metabolite; mouse metabolite
bilirubin	[no description available]	medium	4	1	biladienes; dicarboxylic acid	antioxidant; human metabolite; mouse metabolite
dinoprost	[no description available]	medium	2	0	monocarboxylic acid; prostaglandins Falpha	human metabolite; mouse metabolite
calcitriol	[no description available]	high	2	0	D3 vitamins; hydroxycalciol; triol	antineoplastic agent; antipsoriatic; bone density conservation agent; calcium channel agonist; calcium channel modulator; hormone; human metabolite; immunomodulator; metabolite; mouse metabolite; nutraceutical
beta carotene	[no description available]	medium	3	0	carotenoid beta-end derivative; cyclic carotene	antioxidant; biological pigment; cofactor; ferroptosis inhibitor; human metabolite; mouse metabolite; plant metabolite; provitamin A
clavulanic acid	[no description available]	medium	1	0	oxapenam	antibacterial drug; anxiolytic drug; bacterial metabolite; EC 3.5.2.6 (beta-lactamase) inhibitor
eprosartan	[no description available]	medium	1	0	dicarboxylic acid; imidazoles; thiophenes	angiotensin receptor antagonist; antihypertensive agent; environmental contaminant; xenobiotic
ethchlorvynol	[no description available]	medium	1	0
rokitamycin	[no description available]	medium	1	0	organic molecular entity
etretinate	[no description available]	medium	1	0	enoate ester; ethyl ester; retinoid	keratolytic drug
misoprostol	[no description available]	medium	1	0
epoprostenol	[no description available]	medium	1	0	prostaglandins I	mouse metabolite
triprolidine	[no description available]	medium	1	0	N-alkylpyrrolidine; olefinic compound; pyridines	H1-receptor antagonist
natamycin	[no description available]	medium	1	0	antibiotic antifungal drug; dicarboxylic acid monoester; epoxide; macrolide antibiotic; monosaccharide derivative; polyene antibiotic	antifungal agrochemical; antimicrobial food preservative; apoptosis inducer; bacterial metabolite; ophthalmology drug
cloprednol	[no description available]	medium	1	0	21-hydroxy steroid
cyproterone	[no description available]	medium	1	0	17alpha-hydroxy steroid; 20-oxo steroid; 3-oxo-Delta(4) steroid; chlorinated steroid; tertiary alpha-hydroxy ketone	androgen antagonist
estropipate	[no description available]	medium	1	0	piperazinium salt; steroid sulfate
hydroxystilbamidine	[no description available]	medium	1	0
levetiracetam	[no description available]	medium	1	0	pyrrolidin-2-ones	anticonvulsant; environmental contaminant; xenobiotic
meprednisone	[no description available]	medium	1	0	21-hydroxy steroid
oxymorphone	[no description available]	medium	1	0	morphinane alkaloid
acepreval	[no description available]	medium	1	0	corticosteroid hormone
proscillaridin	[no description available]	medium	1	0	organic molecular entity
fluvoxamine	[no description available]	medium	1	0	(trifluoromethyl)benzenes; 5-methoxyvalerophenone O-(2-aminoethyl)oxime	antidepressant; anxiolytic drug; serotonin uptake inhibitor
stilbamidine	[no description available]	medium	1	0
butorphanol	[no description available]	medium	1	0	morphinane alkaloid	antitussive; kappa-opioid receptor agonist; mu-opioid receptor agonist; opioid analgesic
cefixime	[no description available]	medium	1	0	cephalosporin	antibacterial drug; drug allergen
zimeldine	[no description available]	medium	1	0	styrenes
ceftriaxone	[no description available]	medium	1	0	1,2,4-triazines; 1,3-thiazoles; cephalosporin; oxime O-ether	antibacterial drug; drug allergen; EC 3.5.2.6 (beta-lactamase) inhibitor
ceftazidime	[no description available]	medium	1	0	cephalosporin; oxime O-ether	antibacterial drug; drug allergen; EC 2.4.1.129 (peptidoglycan glycosyltransferase) inhibitor
trandolapril	[no description available]	medium	1	0	dicarboxylic acid monoester; dipeptide; ethyl ester; organic heterobicyclic compound; secondary amino compound; tertiary carboxamide	antihypertensive agent; EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor; prodrug
fosinopril	[no description available]	medium	1	0
abt-770	[no description available]	medium	1	0
9-n-(1-propyl)erythromyclamine	[no description available]	medium	1	0
azacosterol	[no description available]	medium	1	0
homatropine methylbromide	[no description available]	medium	1	0
vindesine	[no description available]	medium	1	0
amodiaquine hydrochloride	[no description available]	medium	1	0
novobiocin	[no description available]	medium	1	0	carbamate ester; ether; hexoside; hydroxycoumarin; monocarboxylic acid amide; monosaccharide derivative; phenols	antibacterial agent; antimicrobial agent; EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor; Escherichia coli metabolite; hepatoprotective agent
tetracycline	[no description available]	medium	2	0
chlortetracycline	[no description available]	medium	3	0
bephenium hydroxynaphthoate	[no description available]	medium	1	0
phenprocoumon	[no description available]	medium	1	0	hydroxycoumarin	anticoagulant; EC 1.6.5.2 [NAD(P)H dehydrogenase (quinone)] inhibitor
folic acid	[no description available]	medium	9	0	folic acids; N-acyl-amino acid	human metabolite; mouse metabolite; nutrient
viomycin	[no description available]	medium	1	0	heterodetic cyclic peptide; peptide antibiotic	antitubercular agent
clozapine	[no description available]	medium	1	0	benzodiazepine; N-arylpiperazine; N-methylpiperazine; organochlorine compound	adrenergic antagonist; dopaminergic antagonist; EC 3.4.21.26 (prolyl oligopeptidase) inhibitor; environmental contaminant; GABA antagonist; histamine antagonist; muscarinic antagonist; second generation antipsychotic; serotonergic antagonist; xenobiotic
dacarbazine	[no description available]	medium	2	0	dacarbazine
olanzapine	[no description available]	medium	2	0	benzodiazepine; N-arylpiperazine; N-methylpiperazine	antiemetic; dopaminergic antagonist; histamine antagonist; muscarinic antagonist; second generation antipsychotic; serotonergic antagonist; serotonin uptake inhibitor
malic acid	[no description available]	high	330	0	2-hydroxydicarboxylic acid; C4-dicarboxylic acid	food acidity regulator; fundamental metabolite
oxaloacetic acid	[no description available]	high	23	0	C4-dicarboxylic acid; oxo dicarboxylic acid	geroprotector; metabolite
isocitric acid	[no description available]	medium	27	0	secondary alcohol; tricarboxylic acid	fundamental metabolite
serum p-component	[no description available]	medium	1	0	citrate anion; tricarboxylic acid trianion	fundamental metabolite
protocatechuic acid	[no description available]	medium	5	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
2,3-butylene glycol	[no description available]	medium	6	0	butanediol; glycol; secondary alcohol
catechol	[no description available]	medium	6	0	catechols	allelochemical; genotoxin; plant metabolite
ethyl protocatechuate	[no description available]	medium	1	0	catechols; ethyl ester	antibacterial agent; antioxidant; apoptosis inducer; EC 1.14.11.2 (procollagen-proline dioxygenase) inhibitor; plant metabolite
3,4-dihydroxybenzophenone	[no description available]	medium	1	0
5-carboxy-8-hydroxyquinoline	[no description available]	medium	2	0	quinolines
beta-alanine	[no description available]	high	4	0	amino acid zwitterion; beta-amino acid	agonist; fundamental metabolite; human metabolite; inhibitor; neurotransmitter
decanoic acid	[no description available]	medium	1	0	medium-chain fatty acid; straight-chain saturated fatty acid	algal metabolite; anti-inflammatory agent; antibacterial agent; human metabolite; plant metabolite; volatile oil component
kynurenic acid	[no description available]	medium	1	0	monohydroxyquinoline; quinolinemonocarboxylic acid	G-protein-coupled receptor agonist; human metabolite; neuroprotective agent; nicotinic antagonist; NMDA receptor antagonist; Saccharomyces cerevisiae metabolite
l-lactic acid	[no description available]	medium	1	0	(2S)-2-hydroxy monocarboxylic acid; 2-hydroxypropanoic acid	Escherichia coli metabolite; human metabolite
n-oleoylethanolamine	[no description available]	medium	1	0	endocannabinoid; N-(long-chain-acyl)ethanolamine; N-acylethanolamine 18:1	EC 3.5.1.23 (ceramidase) inhibitor; geroprotector; PPARalpha agonist
lysophosphatidic acid	[no description available]	medium	1	0
tan 67	[no description available]	medium	1	0	quinolines
prosomatostatin	[no description available]	medium	1	0	heterodetic cyclic peptide; peptide hormone	fungal metabolite; mouse metabolite; rat metabolite
bam 22p	[no description available]	medium	1	0
lysophosphatidylinositol	[no description available]	medium	1	0
pyruvic acid	[no description available]	high	228	0	2-oxo monocarboxylic acid	cofactor; fundamental metabolite
daminozide	[no description available]	medium	1	0	straight-chain fatty acid
d-2-hydroxyglutarate	[no description available]	medium	2	0	2-hydroxyglutaric acid	algal metabolite
alpha-hydroxyglutarate, (l)-isomer	[no description available]	medium	2	0	2-hydroxyglutaric acid
aconitic acid	[no description available]	medium	1	0	aconitic acid	fundamental metabolite
fg-4592	[no description available]	medium	1	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
2-[[[4-hydroxy-2-oxo-1-(phenylmethyl)-3-quinolinyl]-oxomethyl]amino]acetic acid	[no description available]	medium	1	0	quinolines
3-[[2-(2-pyridinyl)-6-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)-4-pyrimidinyl]amino]propanoic acid	[no description available]	medium	1	0	organonitrogen heterocyclic compound
bay 85-3934	[no description available]	medium	1	0
alpha-hydroxyglutarate	[no description available]	medium	9	0	2-hydroxydicarboxylic acid; dicarboxylic fatty acid	metabolite; mouse metabolite
dimethyl succinate	[no description available]	medium	4	0	fatty acid methyl ester
dimethyl alpha-ketoglutarate	[no description available]	medium	1	0	oxo carboxylic acid
n-acetyldehydroalanine methyl ester	[no description available]	medium	1	0
dimethyloxalylglycine	[no description available]	medium	1	0	glycine derivative; methyl ester; secondary carboxamide	EC 1.14.11.29 (hypoxia-inducible factor-proline dioxygenase) inhibitor; neuroprotective agent
dimethyl fumarate	[no description available]	medium	2	0	diester; enoate ester; methyl ester	antipsoriatic; immunomodulator
technetium	[no description available]	medium	1	0	manganese group element atom
technetium tc 99m dimercaptosuccinic acid	[no description available]	medium	1	0
allantoin	[no description available]	medium	2	0	imidazolidine-2,4-dione; ureas	Escherichia coli metabolite; human metabolite; Saccharomyces cerevisiae metabolite; vulnerary
glyoxylic acid	[no description available]	medium	41	0	2-oxo monocarboxylic acid; aldehydic acid	Escherichia coli metabolite; human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite
nad	[no description available]	medium	227	0	organophosphate oxoanion	cofactor; human metabolite; hydrogen acceptor; Saccharomyces cerevisiae metabolite
aconitic acid	[no description available]	medium	15	0	tricarboxylic acid
d-alpha tocopherol	[no description available]	medium	28	2	alpha-tocopherol	algal metabolite; antiatherogenic agent; anticoagulant; antioxidant; antiviral agent; EC 2.7.11.13 (protein kinase C) inhibitor; immunomodulator; micronutrient; nutraceutical; plant metabolite
3-hydroxypyridine	[no description available]	medium	10	4	monohydroxypyridine
cellulose	[no description available]	medium	48	1	glycoside
2,4-thiazolidinedione	[no description available]	medium	1	0	thiazolidenedione
triethylenediamine	[no description available]	medium	1	0	bridged compound; diamine; saturated organic heterobicyclic parent; tertiary amino compound	antioxidant; catalyst; reagent
alkenes	[no description available]	medium	6	0
thiazolidines	[no description available]	medium	1	0	thiazolidine
arabinose	[no description available]	medium	7	0	L-arabinose	Escherichia coli metabolite; mouse metabolite
5-fluoro-1,3-dimethyl-N-[2-(4-methylpentan-2-yl)phenyl]pyrazole-4-carboxamide	[no description available]	medium	1	0	aromatic amide; organofluorine compound; pyrazoles
3-(difluoromethyl)-N-methoxy-1-methyl-N-[1-(2,4,6-trichlorophenyl)propan-2-yl]pyrazole-4-carboxamide	[no description available]	medium	3	0	aromatic amide; monocarboxylic acid amide; organofluorine compound; pyrazoles; trichlorobenzene
pimaric acid	[no description available]	medium	1	0	diterpenoid
peoniflorin	[no description available]	medium	1	0
glucose, (beta-d)-isomer	[no description available]	medium	13	1	D-glucopyranose	epitope; mouse metabolite
capsaicin	[no description available]	medium	1	0	capsaicinoid	non-narcotic analgesic; TRPV1 agonist; voltage-gated sodium channel blocker
N-[9-(dichloromethylene)-1,2,3,4-tetrahydro-1,4-methanonaphthalen-5-yl]-3-(difluoromethyl)-1-methylpyrazole-4-carboxamide	[no description available]	medium	3	0	aromatic amide; bridged compound; olefinic compound; organochlorine compound; organofluorine compound; pyrazoles
acetyl coenzyme a	[no description available]	medium	37	0	acyl-CoA	acyl donor; coenzyme; effector; fundamental metabolite
itraconazole	[no description available]	medium	3	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
phenyl acetate	[no description available]	medium	181	1	benzenes; phenyl acetates
butyl acetate	[no description available]	medium	1	0	acetate ester	metabolite
methylene chloride	[no description available]	medium	1	0	chloromethanes; volatile organic compound	carcinogenic agent; polar aprotic solvent; refrigerant
fumarates	[no description available]	medium	216	1	butenedioate; C4-dicarboxylate	human metabolite; metabolite; Saccharomyces cerevisiae metabolite
n-heptane	[no description available]	medium	2	0	alkane; volatile organic compound	non-polar solvent; plant metabolite
lead	[no description available]	medium	5	0	carbon group element atom; elemental lead; metal atom	neurotoxin
cadmium	[no description available]	medium	10	0	cadmium molecular entity; zinc group element atom
methyl malonate	[no description available]	medium	8	0
aminolevulinic acid	[no description available]	medium	15	0	4-oxo monocarboxylic acid; amino acid zwitterion; delta-amino acid	antineoplastic agent; dermatologic drug; Escherichia coli metabolite; human metabolite; mouse metabolite; photosensitizing agent; plant metabolite; prodrug; Saccharomyces cerevisiae metabolite
kynurenine	[no description available]	medium	1	0	aromatic ketone; non-proteinogenic alpha-amino acid; substituted aniline	human metabolite
tryptophan	[no description available]	medium	9	0	erythrose 4-phosphate/phosphoenolpyruvate family amino acid; L-alpha-amino acid zwitterion; L-alpha-amino acid; proteinogenic amino acid; tryptophan zwitterion; tryptophan	antidepressant; Escherichia coli metabolite; human metabolite; micronutrient; mouse metabolite; nutraceutical; plant metabolite; Saccharomyces cerevisiae metabolite
3,8-dihydroxy-6h-dibenzo(b,d)pyran-6-one	[no description available]	medium	1	0	coumarins	geroprotector
ubiquinone	[no description available]	medium	87	0
baicalin	[no description available]	medium	1	0	dihydroxyflavone; glucosiduronic acid; glycosyloxyflavone; monosaccharide derivative	antiatherosclerotic agent; antibacterial agent; anticoronaviral agent; antineoplastic agent; antioxidant; cardioprotective agent; EC 2.7.7.48 (RNA-directed RNA polymerase) inhibitor; EC 3.4.21.26 (prolyl oligopeptidase) inhibitor; ferroptosis inhibitor; neuroprotective agent; non-steroidal anti-inflammatory drug; plant metabolite; prodrug
hydrogen sulfide	[no description available]	medium	3	0	gas molecular entity; hydracid; mononuclear parent hydride; sulfur hydride	Escherichia coli metabolite; genotoxin; metabolite; signalling molecule; toxin; vasodilator agent
astaxanthine	[no description available]	medium	6	0	carotenol; carotenone	animal metabolite; anticoagulant; antioxidant; food colouring; plant metabolite
hydrogen carbonate	[no description available]	medium	18	1	carbon oxoanion	cofactor; Escherichia coli metabolite; human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite
coenzyme q10	[no description available]	medium	12	0	ubiquinones	antioxidant; ferroptosis inhibitor; human metabolite
antimycin a	[no description available]	medium	67	0	amidobenzoic acid
cytochrome c-t	[no description available]	medium	20	0
sucrose	[no description available]	medium	47	0	glycosyl glycoside	algal metabolite; Escherichia coli metabolite; human metabolite; mouse metabolite; osmolyte; Saccharomyces cerevisiae metabolite; sweetening agent
1,4,7,10-tetraazacyclododecane- 1,4,7,10-tetraacetic acid	[no description available]	medium	1	0	azamacrocycle	chelator; copper chelator
niacinamide	[no description available]	medium	18	4	pyridine alkaloid; pyridinecarboxamide; vitamin B3	anti-inflammatory agent; antioxidant; cofactor; EC 2.4.2.30 (NAD(+) ADP-ribosyltransferase) inhibitor; EC 3.5.1.98 (histone deacetylase) inhibitor; Escherichia coli metabolite; geroprotector; human urinary metabolite; metabolite; mouse metabolite; neuroprotective agent; Saccharomyces cerevisiae metabolite; Sir2 inhibitor
ammonium sulfate	[no description available]	medium	8	0	ammonium salt; inorganic sulfate salt	fertilizer
methane	[no description available]	medium	21	0	alkane; gas molecular entity; mononuclear parent hydride; one-carbon compound	bacterial metabolite; fossil fuel; greenhouse gas
valerates	[no description available]	medium	3	0	short-chain fatty acid anion; straight-chain saturated fatty acid anion	plant metabolite
deuterium	[no description available]	medium	16	0	dihydrogen
hydrogen	[no description available]	medium	49	0	elemental hydrogen; elemental molecule; gas molecular entity	antioxidant; electron donor; food packaging gas; fuel; human metabolite
uridine	[no description available]	medium	4	0	uridines	drug metabolite; fundamental metabolite; human metabolite
beta-escin	[no description available]	medium	6	0
salvianolic acid B	[no description available]	medium	1	0	1-benzofurans; catechols; dicarboxylic acid; enoate ester; polyphenol	anti-inflammatory agent; antidepressant; antineoplastic agent; antioxidant; apoptosis inducer; autophagy inhibitor; cardioprotective agent; hepatoprotective agent; hypoglycemic agent; neuroprotective agent; osteogenesis regulator; plant metabolite
methionine	[no description available]	medium	11	1	aspartate family amino acid; L-alpha-amino acid; methionine zwitterion; methionine; proteinogenic amino acid	antidote to paracetamol poisoning; human metabolite; micronutrient; mouse metabolite; nutraceutical
benzofurans	[no description available]	medium	2	0
astragaloside a	[no description available]	medium	1	0
ammonium hydroxide	[no description available]	medium	22	0	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
glutathione disulfide	[no description available]	medium	3	0	glutathione derivative; organic disulfide	Escherichia coli metabolite; mouse metabolite
genistein	[no description available]	medium	2	0	7-hydroxyisoflavones	antineoplastic agent; EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor; geroprotector; human urinary metabolite; phytoestrogen; plant metabolite; tyrosine kinase inhibitor
diglycolic acid	[no description available]	medium	2	0	dicarboxylic acid
diethylene glycol	[no description available]	medium	4	0	hydroxyether
flavin-adenine dinucleotide	[no description available]	medium	21	0	flavin adenine dinucleotide; vitamin B2	cofactor; Escherichia coli metabolite; human metabolite; mouse metabolite; prosthetic group
isoleucine	[no description available]	medium	8	0	aspartate family amino acid; isoleucine; L-alpha-amino acid zwitterion; L-alpha-amino acid; proteinogenic amino acid	algal metabolite; Escherichia coli metabolite; human metabolite; mouse metabolite; plant metabolite; Saccharomyces cerevisiae metabolite
telmisartan	[no description available]	medium	1	0	benzimidazoles; biphenyls; carboxybiphenyl	angiotensin receptor antagonist; antihypertensive agent; EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor; environmental contaminant; xenobiotic
spermidine	[no description available]	medium	3	0	polyazaalkane; triamine	autophagy inducer; fundamental metabolite; geroprotector
D-fructopyranose	[no description available]	medium	27	1	cyclic hemiketal; D-fructose; fructopyranose	sweetening agent
ornithine	[no description available]	medium	6	1	non-proteinogenic L-alpha-amino acid; ornithine	algal metabolite; hepatoprotective agent; mouse metabolite
quinone	[no description available]	medium	11	0	1,4-benzoquinones	cofactor; human xenobiotic metabolite; mouse metabolite
heme	[no description available]	medium	22	0
pyrophosphate	[no description available]	medium	5	0	diphosphate ion
guanosine triphosphate	[no description available]	medium	7	0	guanosine 5'-phosphate; purine ribonucleoside 5'-triphosphate	Escherichia coli metabolite; mouse metabolite; uncoupling protein inhibitor
succinyl-coenzyme a	[no description available]	medium	13	0	omega-carboxyacyl-CoA	Escherichia coli metabolite; inhibitor; mouse metabolite
succinyl phosphate	[no description available]	medium	1	0
methylene blue	[no description available]	medium	3	0	organic chloride salt	acid-base indicator; antidepressant; antimalarial; antimicrobial agent; antioxidant; cardioprotective agent; EC 1.4.3.4 (monoamine oxidase) inhibitor; EC 3.1.1.8 (cholinesterase) inhibitor; EC 4.6.1.2 (guanylate cyclase) inhibitor; fluorochrome; histological dye; neuroprotective agent; physical tracer
acetylcarnitine	[no description available]	medium	3	0	O-acylcarnitine	human metabolite
carnitine	[no description available]	medium	31	1	amino-acid betaine	human metabolite; mouse metabolite
pyridoxamine	[no description available]	medium	1	0	aminoalkylpyridine; hydroxymethylpyridine; monohydroxypyridine; vitamin B6	Escherichia coli metabolite; human metabolite; iron chelator; mouse metabolite; nephroprotective agent; plant metabolite; Saccharomyces cerevisiae metabolite
mevalonic acid	[no description available]	medium	2	0	3,5-dihydroxy-3-methylpentanoic acid
dimethylformamide	[no description available]	medium	1	0	formamides; volatile organic compound	geroprotector; hepatotoxic agent; polar aprotic solvent
cellulase	[no description available]	medium	7	0	cellotriose
uridine diphosphate	[no description available]	medium	1	0	pyrimidine ribonucleoside 5'-diphosphate; uridine 5'-phosphate	Escherichia coli metabolite; mouse metabolite
sorafenib	[no description available]	medium	1	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
tyrosine	[no description available]	medium	11	1	amino acid zwitterion; erythrose 4-phosphate/phosphoenolpyruvate family amino acid; L-alpha-amino acid; proteinogenic amino acid; tyrosine	EC 1.3.1.43 (arogenate dehydrogenase) inhibitor; fundamental metabolite; micronutrient; nutraceutical
proline	[no description available]	medium	19	0	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
alanine	[no description available]	medium	55	0	alanine zwitterion; alanine; L-alpha-amino acid; proteinogenic amino acid; pyruvate family amino acid	EC 4.3.1.15 (diaminopropionate ammonia-lyase) inhibitor; fundamental metabolite
phosphatidylcholines	[no description available]	medium	5	0	1,2-diacyl-sn-glycero-3-phosphocholine
calpain	[no description available]	medium	2	0
taurine	[no description available]	medium	19	0	amino sulfonic acid; zwitterion	antioxidant; Escherichia coli metabolite; glycine receptor agonist; human metabolite; mouse metabolite; nutrient; radical scavenger; Saccharomyces cerevisiae metabolite
s-adenosylmethionine	[no description available]	medium	4	1	organic cation; sulfonium compound	coenzyme; cofactor; human metabolite; micronutrient; Mycoplasma genitalium metabolite; nutraceutical; Saccharomyces cerevisiae metabolite
meglumine	[no description available]	medium	11	2	hexosamine; secondary amino compound
fluoranthene	[no description available]	medium	1	0	ortho- and peri-fused polycyclic arene
pyrroles	[no description available]	medium	3	0	pyrrole; secondary amine
lc15-0444	[no description available]	medium	1	0	organonitrogen compound; organooxygen compound
chitosan	[no description available]	medium	14	0
cadaverine	[no description available]	medium	1	0	alkane-alpha,omega-diamine	Daphnia magna metabolite; Escherichia coli metabolite; mouse metabolite; plant metabolite
pralidoxime	[no description available]	medium	1	0	pyridinium ion	antidote to organophosphate poisoning; antidote to sarin poisoning; cholinergic drug; cholinesterase reactivator
isoflurophate	[no description available]	medium	1	0	dialkyl phosphate
monensin	[no description available]	medium	2	0	cyclic hemiketal; monocarboxylic acid; polyether antibiotic; spiroketal	antifungal agent; coccidiostat; ionophore
glycogen	[no description available]	medium	14	0
peracetic acid	[no description available]	medium	1	0	a peroxy acid	disinfectant; oxidising agent
s-adenosylmethionine	[no description available]	medium	6	0	sulfonium betaine	human metabolite
liraglutide	[no description available]	medium	1	0	lipopeptide; polypeptide	glucagon-like peptide-1 receptor agonist; neuroprotective agent
sodium hydroxide	[no description available]	medium	10	0	alkali metal hydroxide
cyflumetofen	[no description available]	medium	1	0	(trifluoromethyl)benzenes; 2-methoxyethyl ester; beta-ketoester; nitrile
citrulline	[no description available]	medium	9	1	amino acid zwitterion; citrulline	Daphnia magna metabolite; EC 1.14.13.39 (nitric oxide synthase) inhibitor; Escherichia coli metabolite; human metabolite; micronutrient; mouse metabolite; nutraceutical; plant metabolite; protective agent; Saccharomyces cerevisiae metabolite
threonine	[no description available]	medium	6	0	amino acid zwitterion; aspartate family amino acid; L-alpha-amino acid; proteinogenic amino acid; threonine	algal metabolite; Escherichia coli metabolite; human metabolite; micronutrient; mouse metabolite; nutraceutical; plant metabolite; Saccharomyces cerevisiae metabolite
phenylalanine	[no description available]	medium	11	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
mannose	[no description available]	medium	3	0	D-aldohexose; D-mannose; mannopyranose	metabolite
leptin	[no description available]	medium	2	1
aluminum	[no description available]	medium	15	0	boron group element atom; elemental aluminium; metal atom
nitrites	[no description available]	medium	17	0	monovalent inorganic anion; nitrogen oxoanion; reactive nitrogen species	human metabolite
lactose	[no description available]	medium	19	0	lactose
terephthalic acid	[no description available]	medium	3	0	benzenedicarboxylic acid
tanshinone	[no description available]	medium	1	0	abietane diterpenoid	anticoronaviral agent
puerarin	[no description available]	medium	1	0	C-glycosyl compound; isoflavonoid
dactinomycin	[no description available]	medium	2	0	actinomycin	mutagen
emoxypine succinate	[no description available]	medium	8	1
pyridinolcarbamate	[no description available]	medium	1	0	pyridines
diethylhexyl phthalate	[no description available]	medium	3	0	diester; phthalate ester	androstane receptor agonist; apoptosis inhibitor; plasticiser
ethylene	[no description available]	medium	3	0	alkene; gas molecular entity	plant hormone; refrigerant
phloretin	[no description available]	medium	4	0	dihydrochalcones	antineoplastic agent; plant metabolite
acetic acid	[no description available]	medium	128	0	monocarboxylic acid	antimicrobial food preservative; Daphnia magna metabolite; food acidity regulator; protic solvent
reamberin	[no description available]	medium	9	1
colistin	[no description available]	medium	3	0
carbendazim	[no description available]	medium	1	0	benzimidazole fungicide; benzimidazoles; benzimidazolylcarbamate fungicide; carbamate ester	antifungal agrochemical; antinematodal drug; metabolite; microtubule-destabilising agent
oleanolic acid	[no description available]	medium	4	0	hydroxy monocarboxylic acid; pentacyclic triterpenoid	plant metabolite
resveratrol	[no description available]	medium	3	0	resveratrol	antioxidant; phytoalexin; plant metabolite; quorum sensing inhibitor; radical scavenger
quercetin	[no description available]	medium	11	0	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
3,3',4,5'-tetrahydroxystilbene	[no description available]	medium	1	0	catechols; polyphenol; resorcinols; stilbenol	antineoplastic agent; apoptosis inducer; geroprotector; hypoglycemic agent; plant metabolite; protein kinase inhibitor; tyrosine kinase inhibitor
stilbenes	[no description available]	medium	4	0	stilbene
phosphorus	[no description available]	medium	9	0	monoatomic phosphorus; nonmetal atom; pnictogen	macronutrient
amylopectin	[no description available]	medium	3	0
manganese	[no description available]	medium	18	1	elemental manganese; manganese group element atom	Escherichia coli metabolite; micronutrient
2,4-dinitrophenol	[no description available]	medium	24	0	dinitrophenol	allergen; antiseptic drug; bacterial xenobiotic metabolite; geroprotector; oxidative phosphorylation inhibitor
albendazole sulfoxide	[no description available]	medium	1	0	sulfoxide
nitazoxanide	[no description available]	medium	1	0	benzamides; carboxylic ester
thiazoles	[no description available]	medium	34	1	1,3-thiazoles; mancude organic heteromonocyclic parent; monocyclic heteroarene
kainic acid	[no description available]	medium	2	0	dicarboxylic acid; L-proline derivative; non-proteinogenic L-alpha-amino acid; pyrrolidinecarboxylic acid	antinematodal drug; excitatory amino acid agonist
trimethyloxamine	[no description available]	medium	5	0	tertiary amine oxide	Escherichia coli metabolite; metabolite; osmolyte
propoxur	[no description available]	medium	1	0	aromatic ether; carbamate ester	acaricide; agrochemical; carbamate insecticide; EC 3.1.1.7 (acetylcholinesterase) inhibitor
dimethylamine	[no description available]	medium	3	0	methylamines; secondary aliphatic amine	metabolite
cyanidin-3-o-beta-glucopyranoside	[no description available]	medium	1	0
nitrous oxide	[no description available]	medium	6	0	gas molecular entity; nitrogen oxide	analgesic; bacterial metabolite; food packaging gas; food propellant; general anaesthetic; greenhouse gas; inhalation anaesthetic; NMDA receptor antagonist; raising agent; refrigerant; vasodilator agent
galactose	[no description available]	medium	12	0	D-galactose; galactopyranose	Escherichia coli metabolite; mouse metabolite
lignin	[no description available]	medium	24	0
hypoxanthine	[no description available]	medium	2	0	nucleobase analogue; oxopurine; purine nucleobase	fundamental metabolite
diltiazem	[no description available]	medium	3	0	5-[2-(dimethylamino)ethyl]-2-(4-methoxyphenyl)-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepin-3-yl acetate	antihypertensive agent; calcium channel blocker; vasodilator agent
cholecystokinin	[no description available]	medium	1	0
safingol	[no description available]	medium	1	0	amino alcohol
sphingosine	[no description available]	medium	2	0	sphing-4-enine	human metabolite; mouse metabolite
methyl carbamate	[no description available]	medium	1	0	carbamate ester
carbamates	[no description available]	medium	2	0	amino-acid anion
melatonin	[no description available]	medium	5	0	acetamides; tryptamines	anticonvulsant; central nervous system depressant; geroprotector; hormone; human metabolite; immunological adjuvant; mouse metabolite; radical scavenger
sodium glutamate	[no description available]	medium	4	0	monosodium glutamate	flavouring agent
creatine	[no description available]	medium	18	0	glycine derivative; guanidines; zwitterion	geroprotector; human metabolite; mouse metabolite; neuroprotective agent; nutraceutical
phosphocreatine	[no description available]	medium	10	0	phosphagen; phosphoamino acid	human metabolite; mouse metabolite
choline	[no description available]	medium	22	0	cholines	allergen; Daphnia magna metabolite; Escherichia coli metabolite; human metabolite; mouse metabolite; neurotransmitter; nutrient; plant metabolite; Saccharomyces cerevisiae metabolite
cysteine	[no description available]	medium	20	0	cysteinium	fundamental metabolite
arachidonic acid	[no description available]	medium	4	0	icosa-5,8,11,14-tetraenoic acid; long-chain fatty acid; omega-6 fatty acid	Daphnia galeata metabolite; EC 3.1.1.1 (carboxylesterase) inhibitor; human metabolite; mouse metabolite
pyrimidine	[no description available]	medium	8	0	diazine; pyrimidines	Daphnia magna metabolite
diphosphoric acid	[no description available]	medium	1	0	acyclic phosphorus acid anhydride; phosphorus oxoacid	Escherichia coli metabolite
benzo(a)pyrene	[no description available]	medium	1	0	ortho- and peri-fused polycyclic arene	carcinogenic agent; mouse metabolite
thiosulfates	[no description available]	medium	5	0	divalent inorganic anion; sulfur oxide; sulfur oxoanion	human metabolite
prednisolone	[no description available]	medium	7	0	11beta-hydroxy steroid; 17alpha-hydroxy steroid; 20-oxo steroid; 21-hydroxy steroid; 3-oxo-Delta(1),Delta(4)-steroid; C21-steroid; glucocorticoid; primary alpha-hydroxy ketone; tertiary alpha-hydroxy ketone	adrenergic agent; anti-inflammatory drug; antineoplastic agent; drug metabolite; environmental contaminant; immunosuppressive agent; xenobiotic
acrolein	[no description available]	medium	1	0	enal	herbicide; human xenobiotic metabolite; toxin
cinnamaldehyde	[no description available]	medium	1	0	3-phenylprop-2-enal; cinnamaldehydes	antifungal agent; EC 4.3.1.24 (phenylalanine ammonia-lyase) inhibitor; flavouring agent; hypoglycemic agent; plant metabolite; sensitiser; vasodilator agent
dioleoyl phosphatidylethanolamine	[no description available]	medium	1	0	phosphatidylethanolamine
catechin	[no description available]	medium	6	0	catechin	antioxidant; plant metabolite
epigallocatechin gallate	[no description available]	medium	2	0	flavans; gallate ester; polyphenol	antineoplastic agent; antioxidant; apoptosis inducer; geroprotector; Hsp90 inhibitor; neuroprotective agent; plant metabolite
glutamine	[no description available]	medium	37	1	amino acid zwitterion; glutamine family amino acid; glutamine; L-alpha-amino acid; polar amino acid zwitterion; proteinogenic amino acid	EC 1.14.13.39 (nitric oxide synthase) inhibitor; Escherichia coli metabolite; human metabolite; metabolite; micronutrient; mouse metabolite; nutraceutical; Saccharomyces cerevisiae metabolite
ascorbic acid	[no description available]	medium	49	0	ascorbic acid; vitamin C	coenzyme; cofactor; flour treatment agent; food antioxidant; food colour retention agent; geroprotector; plant metabolite; skin lightening agent
arginine	[no description available]	medium	23	0	arginine; glutamine family amino acid; L-alpha-amino acid; proteinogenic amino acid	biomarker; Escherichia coli metabolite; micronutrient; mouse metabolite; nutraceutical
nitrogenase	[no description available]	medium	10	0
pectins	[no description available]	medium	6	0	D-galactopyranuronic acid
lopinavir	[no description available]	medium	1	0	amphetamines; dicarboxylic acid diamide	anticoronaviral agent; antiviral drug; HIV protease inhibitor
formaldehyde	[no description available]	medium	6	0	aldehyde; one-carbon compound	allergen; carcinogenic agent; disinfectant; EC 3.5.1.4 (amidase) inhibitor; environmental contaminant; Escherichia coli metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite
butyraldehyde	[no description available]	medium	1	0	butanals	biomarker; Escherichia coli metabolite; mouse metabolite
hydroxyurea	[no description available]	medium	1	0	one-carbon compound; ureas	antimetabolite; antimitotic; antineoplastic agent; DNA synthesis inhibitor; EC 1.17.4.1 (ribonucleoside-diphosphate reductase) inhibitor; genotoxin; immunomodulator; radical scavenger; teratogenic agent
camptothecin	[no description available]	medium	3	0	delta-lactone; pyranoindolizinoquinoline; quinoline alkaloid; tertiary alcohol	antineoplastic agent; EC 5.99.1.2 (DNA topoisomerase) inhibitor; genotoxin; plant metabolite
mitomycin	[no description available]	medium	2	0	mitomycin	alkylating agent; antineoplastic agent
quinoxalines	[no description available]	medium	1	0	mancude organic heterobicyclic parent; naphthyridine; ortho-fused heteroarene
sb 525334	[no description available]	medium	1	0	quinoxaline derivative
transforming growth factor beta	[no description available]	medium	2	0
menaquinone 6	[no description available]	medium	5	0
cyclopropene	[no description available]	medium	1	0	cycloalkene; cyclopropenes
byl719	[no description available]	medium	1	1	proline derivative
plx4032	[no description available]	medium	1	1	aromatic ketone; difluorobenzene; monochlorobenzenes; pyrrolopyridine; sulfonamide	antineoplastic agent; B-Raf inhibitor
thiourea	[no description available]	medium	3	1	one-carbon compound; thioureas; ureas	antioxidant; chromophore
gold	[no description available]	medium	4	1	copper group element atom; elemental gold
bismuth	[no description available]	medium	1	1	metal atom; pnictogen
strontium	[no description available]	medium	3	1	alkaline earth metal atom
titanium	[no description available]	medium	4	1	titanium group element atom
lenalidomide	[no description available]	medium	1	1	aromatic amine; dicarboximide; isoindoles; piperidones	angiogenesis inhibitor; antineoplastic agent; immunomodulator
temozolomide	[no description available]	medium	2	1	imidazotetrazine; monocarboxylic acid amide; triazene derivative	alkylating agent; antineoplastic agent; prodrug
salmeterol xinafoate	[no description available]	medium	1	1	naphthoic acid
galactosamine	[no description available]	medium	1	1	D-galactosamine; primary amino compound	toxin
titanium dioxide	[no description available]	medium	3	1	titanium oxides	food colouring
manganese dioxide	[no description available]	medium	1	1	manganese molecular entity; metal oxide
calcium peroxide	[no description available]	medium	1	1	calcium oxides
zinc sulfate	[no description available]	medium	3	1	metal sulfate; zinc molecular entity	fertilizer
aluminum oxide	[no description available]	medium	1	1
piperidines	[no description available]	medium	4	1
zinc oxide	[no description available]	medium	2	1	zinc molecular entity
bortezomib	[no description available]	medium	1	1	amino acid amide; L-phenylalanine derivative; pyrazines	antineoplastic agent; antiprotozoal drug; protease inhibitor; proteasome inhibitor
acrylic acid	[no description available]	medium	1	1	alpha,beta-unsaturated monocarboxylic acid	metabolite
n-vinyl-2-pyrrolidinone	[no description available]	medium	6	1	pyrrolidin-2-ones
rhodamine b	[no description available]	medium	1	1	organic chloride salt; xanthene dye	fluorescent probe; fluorochrome; histological dye
phencyclidine	[no description available]	medium	1	1	benzenes; piperidines	anaesthetic; neurotoxin; NMDA receptor antagonist; psychotropic drug
hydrazine	[no description available]	medium	4	1	azane; hydrazines	EC 4.3.1.10 (serine-sulfate ammonia-lyase) inhibitor
angiotensin ii	[no description available]	medium	1	1	amino acid zwitterion; angiotensin II	human metabolite
molybdenum	[no description available]	medium	1	1	chromium group element atom	micronutrient
tricalcium phosphate	[no description available]	medium	9	1	calcium phosphate
ethylbenzene	[no description available]	medium	1	1	alkylbenzene
levonorgestrel	[no description available]	medium	1	1	17beta-hydroxy steroid; 3-oxo-Delta(4) steroid; terminal acetylenic compound	contraceptive drug; female contraceptive drug; progestin; synthetic oral contraceptive
nickel	[no description available]	medium	6	1	metal allergen; nickel group element atom	epitope; micronutrient
fluticasone	[no description available]	medium	2	1	11beta-hydroxy steroid; 17alpha-hydroxy steroid; 3-oxo-Delta(4) steroid; corticosteroid; fluorinated steroid; thioester	anti-allergic agent; anti-asthmatic drug
luteolin	[no description available]	medium	1	1	3'-hydroxyflavonoid; tetrahydroxyflavone	angiogenesis inhibitor; anti-inflammatory agent; antineoplastic agent; apoptosis inducer; c-Jun N-terminal kinase inhibitor; EC 2.3.1.85 (fatty acid synthase) inhibitor; immunomodulator; nephroprotective agent; plant metabolite; radical scavenger; vascular endothelial growth factor receptor antagonist
urea	[no description available]	medium	9	1	isourea; monocarboxylic acid amide; one-carbon compound	Daphnia magna metabolite; Escherichia coli metabolite; fertilizer; flour treatment agent; human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite
homoorientin	[no description available]	medium	1	1	flavone C-glycoside; tetrahydroxyflavone	antineoplastic agent; radical scavenger
sulfur	[no description available]	medium	11	1	chalcogen; nonmetal atom	macronutrient
sodium fluoride	[no description available]	medium	3	1	fluoride salt	mutagen
silver	[no description available]	medium	2	1	copper group element atom; elemental silver	Escherichia coli metabolite
mercury	[no description available]	medium	4	1	elemental mercury; zinc group element atom	neurotoxin
pyrimethamine	[no description available]	medium	2	1	aminopyrimidine; monochlorobenzenes	antimalarial; antiprotozoal drug; EC 1.5.1.3 (dihydrofolate reductase) inhibitor
fibrinogen	[no description available]	medium	1	1	iditol	fungal metabolite
thiohydantoins	[no description available]	medium	2	1
fluorodeoxyglucose f18	[no description available]	medium	4	1	2-deoxy-2-((18)F)fluoro-D-glucose; 2-deoxy-2-fluoro-aldehydo-D-glucose
carfilzomib	[no description available]	medium	1	1	epoxide; morpholines; tetrapeptide	antineoplastic agent; proteasome inhibitor
niraparib	[no description available]	medium	1	1	2-[4-(piperidin-3-yl)phenyl]-2H-indazole-7-carboxamide	antineoplastic agent; apoptosis inducer; EC 2.4.2.30 (NAD(+) ADP-ribosyltransferase) inhibitor; radiosensitizing agent
nitroxyl	[no description available]	medium	2	1	nitrogen oxoacid
organophosphonates	[no description available]	medium	3	1	divalent inorganic anion; phosphite ion
hydantoins	[no description available]	medium	1	1	imidazolidine-2,4-dione
indazoles	[no description available]	medium	4	1	indazole
empagliflozin	[no description available]	medium	1	1	aromatic ether; C-glycosyl compound; monochlorobenzenes; tetrahydrofuryl ether	hypoglycemic agent; sodium-glucose transport protein subtype 2 inhibitor
n-acetylneuraminic acid	[no description available]	medium	2	1	N-acetylneuraminic acids	antioxidant; bacterial metabolite; EC 3.2.1.18 (exo-alpha-sialidase) inhibitor; human metabolite; mouse metabolite
glucuronic acid	[no description available]	medium	7	1	D-glucuronic acid	algal metabolite
tetradecanoylphorbol acetate	[no description available]	medium	4	0	acetate ester; diester; phorbol ester; tertiary alpha-hydroxy ketone; tetradecanoate ester	antineoplastic agent; apoptosis inducer; carcinogenic agent; mitogen; plant metabolite; protein kinase C agonist; reactive oxygen species generator
ubiquinol	[no description available]	medium	10	0	polyprenylhydroquinone; ubiquinol	biomarker; metabolite
linoleic acid	[no description available]	medium	5	0	octadecadienoic acid; omega-6 fatty acid	algal metabolite; Daphnia galeata metabolite; plant metabolite
pyridoxine	[no description available]	medium	2	0	hydroxymethylpyridine; methylpyridines; monohydroxypyridine; vitamin B6	cofactor; Escherichia coli metabolite; human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite
ethanolamine	[no description available]	medium	4	0	ethanolamines; primary alcohol; primary amine	Escherichia coli metabolite; human metabolite; mouse metabolite
phenobarbital sodium	[no description available]	medium	1	0
sodium oxybate	[no description available]	medium	3	0
glycolic acid	[no description available]	medium	5	0	2-hydroxy monocarboxylic acid; primary alcohol	keratolytic drug; metabolite
2,5-furandicarboxylic acid	[no description available]	medium	2	0	dicarboxylic acid; furans	human urinary metabolite
niobium	[no description available]	medium	2	0	vanadium group element atom
niobium pentoxide	[no description available]	medium	1	0
furaldehyde	[no description available]	medium	8	0	aldehyde; furans	Maillard reaction product; metabolite
5-hydroxymethylfurfural	[no description available]	medium	5	0	arenecarbaldehyde; furans; primary alcohol	indicator; Maillard reaction product
zeolites	[no description available]	medium	3	0
xymedon	[no description available]	medium	1	0
phosphorylethanolamine	[no description available]	medium	1	0	phosphoethanolamine; primary amino compound	algal metabolite; human metabolite; mouse metabolite
tigecycline	[no description available]	medium	1	0
gibberellins	[no description available]	medium	2	0
gibberellic acid	[no description available]	medium	1	0	C19-gibberellin; gibberellin monocarboxylic acid; lactone; organic heteropentacyclic compound	mouse metabolite; plant metabolite
acebutolol	[no description available]	medium	4	0	alpha-D-glucosyl-(1->4)-D-mannopyranose
4-hydroxybenzoic acid	[no description available]	medium	6	0	monohydroxybenzoic acid	algal metabolite; plant metabolite
vitamin b 6	[no description available]	medium	2	1
pyoverdin	[no description available]	medium	2	0
3-hydroxybutyric acid	[no description available]	medium	29	0	(omega-1)-hydroxy fatty acid; 3-hydroxy monocarboxylic acid; hydroxybutyric acid	human metabolite
hexadecanedioic acid	[no description available]	medium	1	0	alpha,omega-dicarboxylic acid; dicarboxylic fatty acid	human metabolite
cytochromes c1	[no description available]	medium	6	0
benzoyl-coenzyme a	[no description available]	medium	2	0
tannins	[no description available]	medium	1	0
histidine	[no description available]	medium	10	0	amino acid zwitterion; histidine; L-alpha-amino acid; polar amino acid zwitterion; proteinogenic amino acid	algal metabolite; Escherichia coli metabolite; human metabolite; micronutrient; mouse metabolite; nutraceutical; Saccharomyces cerevisiae metabolite
guanosine diphosphate	[no description available]	medium	11	0	guanosine 5'-phosphate; purine ribonucleoside 5'-diphosphate	Escherichia coli metabolite; mouse metabolite; uncoupling protein inhibitor
phosphohistidine	[no description available]	medium	2	0
agar	[no description available]	medium	3	0
hydroxycitric acid	[no description available]	medium	1	0	carbonyl compound
ginsenosides	[no description available]	medium	4	0
taurochenodeoxycholic acid	[no description available]	medium	2	0	bile acid taurine conjugate	human metabolite; mouse metabolite
ursodoxicoltaurine	[no description available]	medium	1	0	bile acid taurine conjugate	anti-inflammatory agent; apoptosis inhibitor; bone density conservation agent; cardioprotective agent; human metabolite; neuroprotective agent
dobutamine	[no description available]	medium	1	0	catecholamine; secondary amine	beta-adrenergic agonist; cardiotonic drug; sympathomimetic agent
epiglucan	[no description available]	medium	1	0
glutaminase	[no description available]	medium	3	0
nadp	[no description available]	medium	58	0
imiquimod	[no description available]	medium	1	0	imidazoquinoline	antineoplastic agent; interferon inducer
cystathionine	[no description available]	medium	1	0	cysteine derivative
carbon monoxide	[no description available]	medium	8	0	carbon oxide; gas molecular entity; one-carbon compound	biomarker; EC 1.9.3.1 (cytochrome c oxidase) inhibitor; human metabolite; ligand; metabolite; mitochondrial respiratory-chain inhibitor; mouse metabolite; neurotoxin; neurotransmitter; P450 inhibitor; probe; signalling molecule; vasodilator agent
glyceraldehyde	[no description available]	medium	2	0	aldotriose	fundamental metabolite
patchouli alcohol	[no description available]	medium	1	0
sesquiterpenes	[no description available]	medium	1	0
malondialdehyde	[no description available]	medium	8	0	dialdehyde	biomarker
pentylenetetrazole	[no description available]	medium	2	0	organic heterobicyclic compound; organonitrogen heterocyclic compound
thallium	[no description available]	medium	3	0	boron group element atom
Prothioconazole-desthio	[no description available]	medium	1	0	organochlorine compound
triazoles	[no description available]	medium	3	0	1,2,3-triazole
triheptanoin	[no description available]	medium	2	0
dabigatran	[no description available]	medium	1	0	aromatic amide; benzimidazoles; beta-alanine derivative; carboxamidine; pyridines	anticoagulant; EC 1.10.99.2 [ribosyldihydronicotinamide dehydrogenase (quinone)] inhibitor; EC 3.4.21.5 (thrombin) inhibitor
gsk525762a	[no description available]	medium	1	0	benzodiazepine
dehydroepiandrosterone	[no description available]	medium	4	0	17-oxo steroid; 3beta-hydroxy-Delta(5)-steroid; androstanoid	androgen; human metabolite; mouse metabolite
phenformin	[no description available]	medium	5	0	biguanides	antineoplastic agent; geroprotector; hypoglycemic agent
gsk1210151a	[no description available]	medium	1	0	imidazoquinoline
4-hydroxyisoleucine	[no description available]	medium	1	0	isoleucine derivative
rotenone	[no description available]	medium	84	0	organic heteropentacyclic compound; rotenones	antineoplastic agent; metabolite; mitochondrial NADH:ubiquinone reductase inhibitor; phytogenic insecticide; piscicide; toxin
sulfites	[no description available]	medium	7	0	divalent inorganic anion; sulfur oxide; sulfur oxoanion
phenylethyl alcohol	[no description available]	medium	5	0	benzenes; primary alcohol	Aspergillus metabolite; fragrance; plant growth retardant; plant metabolite; Saccharomyces cerevisiae metabolite
tocopherols	[no description available]	medium	6	0
10-hydroxycamptothecin	[no description available]	medium	2	0	pyranoindolizinoquinoline
1-anilino-8-naphthalenesulfonate	[no description available]	medium	4	0	aminonaphthalene; naphthalenesulfonic acid	fluorescent probe
galactose	[no description available]	medium	4	0
phytosterols	[no description available]	medium	2	0
ergosterol	[no description available]	medium	3	0	3beta-hydroxy-Delta(5)-steroid; 3beta-sterol; ergostanoid; phytosterols	fungal metabolite; Saccharomyces cerevisiae metabolite
formic acid	[no description available]	medium	55	1	monocarboxylic acid	antibacterial agent; astringent; metabolite; protic solvent; solvent
betadex	[no description available]	medium	5	0	cyclodextrin
kaempferol	[no description available]	medium	2	0	7-hydroxyflavonol; flavonols; tetrahydroxyflavone	antibacterial agent; geroprotector; human blood serum metabolite; human urinary metabolite; human xenobiotic metabolite; plant metabolite
1,3-propanediol	[no description available]	medium	11	0	propane-1,3-diols	metabolite; protic solvent
indoleacetic acid	[no description available]	medium	2	0	indole-3-acetic acids; monocarboxylic acid	auxin; human metabolite; mouse metabolite; plant hormone; plant metabolite
1-butanol	[no description available]	medium	6	0	alkyl alcohol; primary alcohol; short-chain primary fatty alcohol	human metabolite; mouse metabolite; protic solvent
perfluorooctanoic acid	[no description available]	medium	1	0	fluoroalkanoic acid	carcinogenic agent; endocrine disruptor; environmental contaminant; surfactant; xenobiotic
caprylates	[no description available]	medium	12	1	fatty acid anion 8:0; straight-chain saturated fatty acid anion	human metabolite; Saccharomyces cerevisiae metabolite
ginsenoside rb1	[no description available]	medium	1	0	ginsenoside; glycoside; tetracyclic triterpenoid	anti-inflammatory drug; anti-obesity agent; apoptosis inhibitor; neuroprotective agent; plant metabolite; radical scavenger
succinic semialdehyde	[no description available]	medium	3	0	aldehydic acid	Escherichia coli metabolite; mouse metabolite
methionine sulfoximine	[no description available]	medium	2	0	methionine derivative; non-proteinogenic alpha-amino acid; sulfoximide
biguanides	[no description available]	medium	1	0	guanidines
sirolimus	[no description available]	medium	1	0	antibiotic antifungal drug; cyclic acetal; cyclic ketone; ether; macrolide lactam; organic heterotricyclic compound; secondary alcohol	antibacterial drug; anticoronaviral agent; antineoplastic agent; bacterial metabolite; geroprotector; immunosuppressive agent; mTOR inhibitor
u 0126	[no description available]	medium	1	0	aryl sulfide; dinitrile; enamine; substituted aniline	antineoplastic agent; antioxidant; apoptosis inducer; EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor; osteogenesis regulator; vasoconstrictor agent
vanadates	[no description available]	medium	1	0	trivalent inorganic anion; vanadium oxoanion	EC 3.1.3.1 (alkaline phosphatase) inhibitor; EC 3.1.3.16 (phosphoprotein phosphatase) inhibitor; EC 3.1.3.41 (4-nitrophenylphosphatase) inhibitor; EC 3.1.3.48 (protein-tyrosine-phosphatase) inhibitor
ferryl iron	[no description available]	medium	1	0
trehalose	[no description available]	medium	12	0	trehalose	Escherichia coli metabolite; geroprotector; human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite
thioctic acid	[no description available]	medium	6	0	dithiolanes; heterocyclic fatty acid; thia fatty acid	fundamental metabolite; geroprotector
2-phenylethyl acetate	[no description available]	medium	1	0	acetate ester	metabolite; Saccharomyces cerevisiae metabolite
isoamyl acetate	[no description available]	medium	2	0	acetate ester	metabolite; Saccharomyces cerevisiae metabolite
n-pentanol	[no description available]	medium	5	0	pentanol; short-chain primary fatty alcohol	human metabolite; plant metabolite
propofol	[no description available]	medium	2	0	phenols	anticonvulsant; antiemetic; intravenous anaesthetic; radical scavenger; sedative
diaminopimelic acid	[no description available]	medium	2	0	2,6-diaminopimelic acid; amino acid zwitterion	Escherichia coli metabolite
thiosemicarbazide	[no description available]	medium	1	0	hydrazines; thiocarboxamide; thioureas
acetoin	[no description available]	medium	5	0	methyl ketone; secondary alpha-hydroxy ketone	metabolite
caprolactam	[no description available]	medium	1	0	caprolactams	human blood serum metabolite
aminocaproic acid	[no description available]	medium	1	0	amino acid zwitterion; epsilon-amino acid; omega-amino fatty acid	antifibrinolytic drug; hematologic agent; metabolite
kanamycin a	[no description available]	medium	4	0	kanamycins	bacterial metabolite
oligonucleotides	[no description available]	medium	3	0
thebaine	[no description available]	medium	1	0	morphinane alkaloid; organic heteropentacyclic compound
rhodium	[no description available]	medium	1	0	cobalt group element atom
chlorine	[no description available]	medium	3	0	diatomic chlorine; gas molecular entity	bleaching agent
glycidyl nitrate	[no description available]	medium	1	0
dodecyl-beta-d-maltoside	[no description available]	medium	1	0	disaccharide derivative; glycoside	detergent
nitrous acid	[no description available]	medium	1	0	nitrogen oxoacid
glycolipids	[no description available]	medium	7	0
glucosamine	[no description available]	medium	9	0	D-glucosamine	Escherichia coli metabolite; geroprotector; mouse metabolite
triamcinolone acetonide	[no description available]	medium	1	0	11beta-hydroxy steroid; 20-oxo steroid; 21-hydroxy steroid; 3-oxo-Delta(4) steroid; cyclic ketal; fluorinated steroid; glucocorticoid; primary alpha-hydroxy ketone	anti-allergic agent; anti-inflammatory drug
fucoxanthinol	[no description available]	medium	1	0
resorufin	[no description available]	medium	1	0	phenoxazine
amplex red	[no description available]	medium	2	0
paclitaxel	[no description available]	medium	7	0	taxane diterpenoid; tetracyclic diterpenoid	antineoplastic agent; human metabolite; metabolite; microtubule-stabilising agent
curcumin	[no description available]	medium	3	0	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
oxalic acid	[no description available]	medium	31	0	alpha,omega-dicarboxylic acid	algal metabolite; human metabolite; plant metabolite
carbapenems	[no description available]	medium	1	0
isoproterenol	[no description available]	medium	9	0	catechols; secondary alcohol; secondary amino compound	beta-adrenergic agonist; bronchodilator agent; cardiotonic drug; sympathomimetic agent
muramidase	[no description available]	medium	4	0
platinum	[no description available]	medium	3	0	elemental platinum; nickel group element atom; platinum group metal atom
dimethyl sulfoxide	[no description available]	medium	6	0	sulfoxide; volatile organic compound	alkylating agent; antidote; Escherichia coli metabolite; geroprotector; MRI contrast agent; non-narcotic analgesic; polar aprotic solvent; radical scavenger
trelagliptin	[no description available]	medium	1	0	benzenes; nitrile
nitrates	[no description available]	medium	31	0	monovalent inorganic anion; nitrogen oxoanion; reactive nitrogen species
3,4-dimethylpyrazole phosphate	[no description available]	medium	1	0	phosphate salt	nitrification inhibitor
piroxicam	[no description available]	medium	1	0	benzothiazine; monocarboxylic acid amide; pyridines	analgesic; antirheumatic drug; cyclooxygenase 1 inhibitor; EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor; non-steroidal anti-inflammatory drug
sulfuric acid	[no description available]	medium	8	0	sulfur oxoacid	catalyst
copper gluconate	[no description available]	medium	9	0	organic molecular entity
2-ketogluconate	[no description available]	medium	3	0	keto-D-gluconic acid	bacterial metabolite
guanosine pentaphosphate	[no description available]	medium	2	0	guanosine 5'-phosphate; guanosine bisphosphate	Escherichia coli metabolite; mouse metabolite
mirabegron	[no description available]	medium	1	0	1,3-thiazoles; aromatic amide; ethanolamines; monocarboxylic acid amide	beta-adrenergic agonist
propane	[no description available]	medium	3	0	alkane; gas molecular entity	food propellant
octacalcium phosphate	[no description available]	medium	2	0
isoborneol	[no description available]	medium	1	0	borneol
tocophersolan	[no description available]	medium	1	0	tocol
mannans	[no description available]	medium	3	0
mocetinostat	[no description available]	medium	4	0	aminopyrimidine; benzamides; pyridines; secondary amino compound; secondary carboxamide; substituted aniline	antineoplastic agent; apoptosis inducer; autophagy inducer; cardioprotective agent; EC 3.5.1.98 (histone deacetylase) inhibitor; hepatotoxic agent
edetic acid	[no description available]	medium	21	0	ethylenediamine derivative; polyamino carboxylic acid; tetracarboxylic acid	anticoagulant; antidote; chelator; copper chelator; geroprotector
chromium	[no description available]	medium	4	0	chromium group element atom; metal allergen	micronutrient
silicon	[no description available]	medium	3	0	carbon group element atom; metalloid atom; nonmetal atom
chlorophyll a	[no description available]	medium	4	0	chlorophyll; methyl ester	cofactor
aripiprazole	[no description available]	medium	1	0	aromatic ether; delta-lactam; dichlorobenzene; N-alkylpiperazine; N-arylpiperazine; quinolone	drug metabolite; H1-receptor antagonist; second generation antipsychotic; serotonergic agonist
mesalamine	[no description available]	medium	2	1	amino acid; aromatic amine; monocarboxylic acid; monohydroxybenzoic acid; phenols	non-steroidal anti-inflammatory drug
alpha-aminobutyric acid	[no description available]	medium	1	0	alpha-aminobutyric acid; D-alpha-amino acid
rutin	[no description available]	medium	2	0	disaccharide derivative; quercetin O-glucoside; rutinoside; tetrahydroxyflavone	antioxidant; metabolite
n-acetylaspartic acid	[no description available]	medium	5	0	N-acetyl-L-amino acid; N-acyl-L-aspartic acid	antioxidant; human metabolite; mouse metabolite; nutraceutical; rat metabolite
chlorine	[no description available]	medium	13	0	halide anion; monoatomic chlorine	cofactor; Escherichia coli metabolite; human metabolite
glycerylphosphorylcholine	[no description available]	medium	2	0	glycerophosphocholine
enrofloxacin	[no description available]	medium	3	0	cyclopropanes; N-alkylpiperazine; N-arylpiperazine; organofluorine compound; quinolinemonocarboxylic acid; quinolone	antibacterial agent; antimicrobial agent; antineoplastic agent
phenanthrenes	[no description available]	medium	3	0
gluconic acid	[no description available]	medium	6	0	gluconic acid	chelator; Penicillium metabolite
calcium oxalate	[no description available]	medium	3	0	organic calcium salt
phosphorylcholine	[no description available]	medium	6	0	phosphocholines	allergen; epitope; hapten; human metabolite; mouse metabolite
1-hexadecyl-2-acetyl-glycero-3-phosphocholine	[no description available]	medium	2	0	2-acetyl-1-alkyl-sn-glycero-3-phosphocholine	antihypertensive agent; beta-adrenergic antagonist; bronchoconstrictor agent; hematologic agent; vasodilator agent
lysophosphatidylcholines	[no description available]	medium	1	0	1-O-acyl-sn-glycero-3-phosphocholine
caseins	[no description available]	medium	6	0
oxalates	[no description available]	medium	12	0
sapropterin	[no description available]	medium	1	0	5,6,7,8-tetrahydrobiopterin	coenzyme; cofactor; diagnostic agent; human metabolite
interleukin-1beta (163-171)	[no description available]	medium	1	0
methylcellulose	[no description available]	medium	9	0
hydroxypropylmethylcellulose acetate succinate	[no description available]	medium	4	0
muconic acid	[no description available]	medium	1	0	muconic acid	biomarker; human xenobiotic metabolite
3,5-dichloroaniline	[no description available]	medium	1	0	dichloroaniline
n-(3,5-dichlorophenyl)succinimide	[no description available]	medium	1	0	pyrrolidines
1,4-butanediol	[no description available]	medium	10	0	butanediol; glycol	neurotoxin; prodrug; protic solvent
isopentyl alcohol	[no description available]	medium	1	0	alkyl alcohol; primary alcohol; volatile organic compound	antifungal agent; Saccharomyces cerevisiae metabolite; xenobiotic metabolite
4-isopropylphenol	[no description available]	medium	1	0	phenols	flavouring agent
bisphenol a	[no description available]	medium	3	0	bisphenol	endocrine disruptor; environmental contaminant; xenobiotic; xenoestrogen
potassium persulfate	[no description available]	medium	1	0
adenosine diphosphate	[no description available]	medium	107	0	adenosine 5'-phosphate; purine ribonucleoside 5'-diphosphate	fundamental metabolite; human metabolite
4-butyrolactone	[no description available]	medium	5	0	butan-4-olide	metabolite; neurotoxin
alpha-ketoisovalerate	[no description available]	medium	3	0	2-oxo monocarboxylic acid; branched-chain keto acid	human metabolite; Saccharomyces cerevisiae metabolite
2-oxo-3-methylvalerate	[no description available]	medium	1	0	2-oxo monocarboxylic acid; branched-chain keto acid	human metabolite
deoxyglucose	[no description available]	medium	9	0
hydracrylic acid	[no description available]	medium	6	0	3-hydroxy monocarboxylic acid; omega-hydroxy-short-chain fatty acid	Escherichia coli metabolite; human metabolite
1,1-diphenyl-2-picrylhydrazyl	[no description available]	medium	1	0
amifostine anhydrous	[no description available]	medium	3	0	diamine; organic thiophosphate	antioxidant; prodrug; radiation protective agent
phthalic acid	[no description available]	medium	5	0	benzenedicarboxylic acid	human xenobiotic metabolite
wr 1065	[no description available]	medium	1	0	alkanethiol; diamine	antioxidant; drug metabolite; radiation protective agent
palmitoylcarnitine	[no description available]	medium	23	0	O-palmitoylcarnitine; saturated fatty acyl-L-carnitine	EC 3.6.3.9 (Na(+)/K(+)-transporting ATPase) inhibitor; human metabolite; mouse metabolite
phosphoenolpyruvate	[no description available]	medium	13	0	carboxyalkyl phosphate; monocarboxylic acid	fundamental metabolite
cobalt	[no description available]	medium	7	0	cobalt group element atom; metal allergen	micronutrient
atpenin a5	[no description available]	medium	2	0
domperidone	[no description available]	medium	1	0	benzimidazoles; heteroarylpiperidine	antiemetic; dopaminergic antagonist
putrescine	[no description available]	medium	12	0	alkane-alpha,omega-diamine	antioxidant; fundamental metabolite
4-aminobutyraldehyde	[no description available]	medium	1	0	aminobutanal; omega-aminoaldehyde	Escherichia coli metabolite; mouse metabolite
methyl levulinate	[no description available]	medium	1	0	oxo carboxylic acid
acetone	[no description available]	medium	5	0	ketone body; methyl ketone; propanones; volatile organic compound	EC 3.5.1.4 (amidase) inhibitor; human metabolite; polar aprotic solvent
ciprofloxacin	[no description available]	medium	1	0	aminoquinoline; cyclopropanes; fluoroquinolone antibiotic; N-arylpiperazine; quinolinemonocarboxylic acid; quinolone antibiotic; quinolone; zwitterion	antibacterial drug; antiinfective agent; antimicrobial agent; DNA synthesis inhibitor; EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor; environmental contaminant; topoisomerase IV inhibitor; xenobiotic
3-(2,2,2-trimethylhydrazine)propionate	[no description available]	medium	1	0	ammonium betaine	cardioprotective agent; EC 1.14.11.1 (gamma-butyrobetaine dioxygenase) inhibitor; neuroprotective agent
propafenone	[no description available]	medium	1	0	aromatic ketone; secondary alcohol; secondary amino compound	anti-arrhythmia drug
oridonin	[no description available]	medium	1	0
lithium	[no description available]	medium	16	0	alkali metal atom
sildenafil citrate	[no description available]	medium	1	0	citrate salt	EC 3.1.4.35 (3',5'-cyclic-GMP phosphodiesterase) inhibitor; vasodilator agent
piperazine	[no description available]	medium	2	0	azacycloalkane; piperazines; saturated organic heteromonocyclic parent	anthelminthic drug
isopropyl thiogalactoside	[no description available]	medium	1	0	S-glycosyl compound
propylene oxide	[no description available]	medium	1	0	epoxide
ethylene oxide	[no description available]	medium	1	0	gas molecular entity; oxacycle; saturated organic heteromonocyclic parent	allergen; mouse metabolite; mutagen
rhenium	[no description available]	medium	2	0	manganese group element atom
5-hydroxydecanoate	[no description available]	medium	3	0	medium-chain fatty acid
purine	[no description available]	medium	3	0	purine
calcimycin	[no description available]	medium	5	0	benzoxazole
carbonyl cyanide m-chlorophenyl hydrazone	[no description available]	medium	19	0	hydrazone; monochlorobenzenes; nitrile	antibacterial agent; geroprotector; ionophore
oligomycins	[no description available]	medium	30	0
xanthenes	[no description available]	medium	5	0	xanthene
antimycin	[no description available]	medium	22	0
isoflurane	[no description available]	medium	3	0	organofluorine compound	inhalation anaesthetic
goethite	[no description available]	medium	1	0
tartronic acid	[no description available]	medium	1	0	dicarboxylic acid; dicarboxylic fatty acid	plant metabolite
ribulose-1,5 diphosphate	[no description available]	medium	1	0	ribulose phosphate	Escherichia coli metabolite; plant metabolite
aminosalicylic acid	[no description available]	medium	1	0	aminobenzoic acid; phenols	antitubercular agent
prothionamide	[no description available]	medium	1	0	pyridines
cycloserine	[no description available]	medium	2	0	4-amino-1,2-oxazolidin-3-one; organonitrogen heterocyclic antibiotic; organooxygen heterocyclic antibiotic; zwitterion	antiinfective agent; antimetabolite; antitubercular agent; metabolite; NMDA receptor agonist
palmitic acid	[no description available]	medium	12	0	long-chain fatty acid; straight-chain saturated fatty acid	algal metabolite; Daphnia magna metabolite; EC 1.1.1.189 (prostaglandin-E2 9-reductase) inhibitor; plant metabolite
sarcosine	[no description available]	medium	5	0	N-alkylglycine zwitterion; N-alkylglycine; N-methyl-amino acid; N-methylglycines	Escherichia coli metabolite; glycine receptor agonist; glycine transporter 1 inhibitor; human metabolite; mouse metabolite
glycerophosphoethanolamine	[no description available]	medium	1	0	phosphoethanolamine; sn-glycerol 3-phosphates
limestone	[no description available]	medium	4	0	calcium salt; carbonate salt; inorganic calcium salt; one-carbon compound	antacid; fertilizer; food colouring; food firming agent
biotin	[no description available]	medium	10	0	biotins; vitamin B7	coenzyme; cofactor; Escherichia coli metabolite; fundamental metabolite; human metabolite; mouse metabolite; nutraceutical; prosthetic group; Saccharomyces cerevisiae metabolite
n-hydroxysuccinimide	[no description available]	medium	2	0
carbonates	[no description available]	medium	7	0	carbon oxoanion
3-hydroxyflavone	[no description available]	medium	1	0	flavonols; monohydroxyflavone
3,3',4'-trihydroxyflavone	[no description available]	medium	1	0	hydroxyflavan
asparagine	[no description available]	medium	5	0	amino acid zwitterion; asparagine; aspartate family amino acid; L-alpha-amino acid; proteinogenic amino acid	Escherichia coli metabolite; human metabolite; micronutrient; mouse metabolite; nutraceutical; plant metabolite; Saccharomyces cerevisiae metabolite
2,3-dimethylsuccinic acid	[no description available]	medium	1	0	alpha,omega-dicarboxylic acid	chelator
rifamycins	[no description available]	medium	2	0
carbonyl cyanide p-trifluoromethoxyphenylhydrazone	[no description available]	medium	32	0	aromatic ether; hydrazone; nitrile; organofluorine compound	ATP synthase inhibitor; geroprotector; ionophore
1,6-hexamethylene diisocyanate	[no description available]	medium	1	0	diisocyanate	allergen; hapten
cyanates	[no description available]	medium	2	0
deoxycytidine	[no description available]	medium	1	0	pyrimidine 2'-deoxyribonucleoside	Escherichia coli metabolite; human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite
gemcitabine	[no description available]	medium	1	0	organofluorine compound; pyrimidine 2'-deoxyribonucleoside	antimetabolite; antineoplastic agent; antiviral drug; DNA synthesis inhibitor; EC 1.17.4.1 (ribonucleoside-diphosphate reductase) inhibitor; environmental contaminant; immunosuppressive agent; photosensitizing agent; prodrug; radiosensitizing agent; xenobiotic
ellagic acid	[no description available]	medium	1	0	catechols; cyclic ketone; lactone; organic heterotetracyclic compound; polyphenol	antioxidant; EC 1.14.18.1 (tyrosinase) inhibitor; EC 2.3.1.5 (arylamine N-acetyltransferase) inhibitor; EC 2.4.1.1 (glycogen phosphorylase) inhibitor; EC 2.5.1.18 (glutathione transferase) inhibitor; EC 2.7.1.127 (inositol-trisphosphate 3-kinase) inhibitor; EC 2.7.1.151 (inositol-polyphosphate multikinase) inhibitor; EC 2.7.4.6 (nucleoside-diphosphate kinase) inhibitor; EC 2.7.7.7 (DNA-directed DNA polymerase) inhibitor; EC 5.99.1.2 (DNA topoisomerase) inhibitor; EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor; food additive; fungal metabolite; geroprotector; plant metabolite; skin lightening agent
ochracin	[no description available]	medium	1	0	isochromanes
sodium nitrite	[no description available]	medium	2	0	inorganic sodium salt; nitrite salt	antidote to cyanide poisoning; antihypertensive agent; antimicrobial food preservative; food antioxidant; poison
cyclosporine	[no description available]	medium	19	1
pentadecane	[no description available]	medium	2	0	long-chain alkane	animal metabolite; plant metabolite; volatile oil component
3-nitrotyrosine	[no description available]	medium	1	0	2-nitrophenols; C-nitro compound; nitrotyrosine; non-proteinogenic alpha-amino acid
octanoylcarnitine	[no description available]	medium	5	0	O-octanoylcarnitine; saturated fatty acyl-L-carnitine	human metabolite
1-naphthaleneacetic acid	[no description available]	medium	1	0	naphthylacetic acid	synthetic auxin
homoserine lactone	[no description available]	medium	2	0	ammonium ion derivative; organic cation
o-succinylhomoserine	[no description available]	medium	2	0	hemisuccinate; o-succinylhomoserine	Escherichia coli metabolite; Saccharomyces cerevisiae metabolite
homoserine	[no description available]	medium	2	0	amino acid zwitterion; homoserine	algal metabolite; Escherichia coli metabolite; human metabolite; Saccharomyces cerevisiae metabolite
oxazoles	[no description available]	medium	2	0	1,3-oxazoles; mancude organic heteromonocyclic parent; monocyclic heteroarene
gt0918	[no description available]	medium	1	0
vitamin b 12	[no description available]	medium	9	0
nonane	[no description available]	medium	2	0	alkane	plant metabolite; volatile oil component
4-cymene	[no description available]	medium	1	0	monoterpene; toluenes	human urinary metabolite; plant metabolite; volatile oil component
artemisinin	[no description available]	medium	1	0	organic peroxide; sesquiterpene lactone	antimalarial; plant metabolite
1-allyl-3-methylimidazolium	[no description available]	medium	1	0
1,10-phenanthroline	[no description available]	medium	1	0	phenanthroline	EC 2.7.1.1 (hexokinase) inhibitor; EC 3.4.19.3 (pyroglutamyl-peptidase I) inhibitor
1,7-phenanthroline	[no description available]	medium	2	0	phenanthroline
atrial natriuretic factor	[no description available]	medium	3	0	polypeptide
4-toluic acid	[no description available]	medium	1	0	methylbenzoic acid
ferric citrate	[no description available]	medium	1	0	iron chelate	anti-anaemic agent; nutraceutical
isobutyl alcohol	[no description available]	medium	1	0	alkyl alcohol; primary alcohol	Saccharomyces cerevisiae metabolite
adenosine monophosphate	[no description available]	medium	7	0	adenosine 5'-phosphate; purine ribonucleoside 5'-monophosphate	adenosine A1 receptor agonist; cofactor; EC 3.1.3.1 (alkaline phosphatase) inhibitor; EC 3.1.3.11 (fructose-bisphosphatase) inhibitor; fundamental metabolite; micronutrient; nutraceutical
aldosterone	[no description available]	medium	2	0	11beta-hydroxy steroid; 18-oxo steroid; 20-oxo steroid; 21-hydroxy steroid; 3-oxo-Delta(4) steroid; C21-steroid hormone; mineralocorticoid; primary alpha-hydroxy ketone; steroid aldehyde	human metabolite; mouse metabolite
4-hydroxy-2-nonenal	[no description available]	medium	2	0	4-hydroxynon-2-enal; 4-hydroxynonenal
salvin	[no description available]	medium	1	0	abietane diterpenoid; carbotricyclic compound; catechols; monocarboxylic acid	angiogenesis modulating agent; anti-inflammatory agent; antineoplastic agent; antioxidant; apoptosis inducer; food preservative; HIV protease inhibitor; plant metabolite
oxadiazoles	[no description available]	medium	1	0
bms 708163	[no description available]	medium	1	0	oxadiazole; ring assembly
isosorbide	[no description available]	medium	2	0	organic molecular entity
durapatite	[no description available]	medium	1	0
arabitol	[no description available]	medium	1	0	arabinitol
melitten	[no description available]	medium	3	0
n,n-bis(2-hydroxyethyl)glycine	[no description available]	medium	1	0	bicine
maleic anhydride	[no description available]	medium	2	0	cyclic dicarboxylic anhydride; furans	allergen
luminol	[no description available]	medium	2	0
coumarin	[no description available]	medium	1	0	coumarins	fluorescent dye; human metabolite; plant metabolite
phthalic anhydride	[no description available]	medium	1	0	2-benzofurans; cyclic dicarboxylic anhydride	allergen
dimethyl phthalate	[no description available]	medium	1	0	diester; methyl ester; phthalate ester
flavin mononucleotide	[no description available]	medium	8	1
inosine diphosphate	[no description available]	medium	7	1	inosine phosphate; purine ribonucleoside 5'-diphosphate	fundamental metabolite
safranine t	[no description available]	medium	4	0	organic chloride salt	fluorochrome; histological dye
5-nitroindazole	[no description available]	medium	1	0
dehydroandrographolide	[no description available]	medium	2	0
5-methylcytosine	[no description available]	medium	2	0	methylcytosine; pyrimidines	human metabolite
5-hydroxymethylcytosine	[no description available]	medium	1	0	aminopyrimidine; aromatic primary alcohol; nucleobase analogue; pyrimidone	human metabolite; mouse metabolite
6-methyl-2-ethyl-3-hydroxypyridine	[no description available]	medium	5	1
celecoxib	[no description available]	medium	2	0	organofluorine compound; pyrazoles; sulfonamide; toluenes	cyclooxygenase 2 inhibitor; geroprotector; non-narcotic analgesic; non-steroidal anti-inflammatory drug
flutolanil	[no description available]	medium	1	0	(trifluoromethyl)benzenes; aromatic ether; benzamides; benzanilide fungicide	antifungal agrochemical; EC 1.3.5.1 [succinate dehydrogenase (quinone)] inhibitor
succinic anhydride	[no description available]	medium	4	0	cyclic dicarboxylic anhydride; tetrahydrofurandione
ytterbium	[no description available]	medium	1	0	f-block element atom; lanthanoid atom
uranium	[no description available]	medium	1	0	actinoid atom; f-block element atom; monoatomic uranium
palladium	[no description available]	medium	3	0	metal allergen; nickel group element atom; platinum group metal atom
1,6-anhydro-beta-glucopyranose	[no description available]	medium	1	0	anhydrohexose	Arabidopsis thaliana metabolite; biomarker; human metabolite
s-tetradecanoyl-coenzyme a	[no description available]	medium	1	0	11,12-saturated fatty acyl-CoA; long-chain fatty acyl-CoA	Escherichia coli metabolite; mouse metabolite
malonyl coenzyme a	[no description available]	medium	5	0	malonyl-CoAs	EC 2.3.1.21 (carnitine O-palmitoyltransferase) inhibitor; Escherichia coli metabolite; metabolite; mouse metabolite
4-hydroxybutyryl-coenzyme a	[no description available]	medium	1	0	hydroxyacyl-CoA
4-hydroxybutyric acid	[no description available]	medium	5	0	4-hydroxy monocarboxylic acid; hydroxybutyric acid	general anaesthetic; GHB receptor agonist; neurotoxin; sedative
crotonyl-coenzyme a	[no description available]	medium	1	0	but-2-enoyl-CoA
carvacrol	[no description available]	medium	1	0	botanical anti-fungal agent; p-menthane monoterpenoid; phenols	agrochemical; antimicrobial agent; flavouring agent; TRPA1 channel agonist; volatile oil component
thymol	[no description available]	medium	1	0	monoterpenoid; phenols	volatile oil component
lonidamine	[no description available]	medium	2	0	dichlorobenzene; indazoles; monocarboxylic acid	antineoplastic agent; antispermatogenic agent; EC 2.7.1.1 (hexokinase) inhibitor; geroprotector
diacetyl	[no description available]	medium	3	0	alpha-diketone	Escherichia coli metabolite; Saccharomyces cerevisiae metabolite
methamphetamine	[no description available]	medium	1	0	amphetamines; secondary amine	central nervous system stimulant; environmental contaminant; neurotoxin; psychotropic drug; xenobiotic
mephedrone	[no description available]	medium	1	0	amphetamines; aromatic ketone; secondary amino compound	environmental contaminant; xenobiotic
trans-4-coumaric acid	[no description available]	medium	2	0	4-coumaric acid	food component; mouse metabolite; plant metabolite
oleic acid	[no description available]	medium	7	0	octadec-9-enoic acid	antioxidant; Daphnia galeata metabolite; EC 3.1.1.1 (carboxylesterase) inhibitor; Escherichia coli metabolite; mouse metabolite; plant metabolite; solvent
4,6-dinitro-o-cresol	[no description available]	medium	1	0	dinitrophenol acaricide; hydroxytoluene; nitrotoluene	dinitrophenol insecticide; fungicide; herbicide
orotic acid	[no description available]	medium	8	0	pyrimidinemonocarboxylic acid	Escherichia coli metabolite; metabolite; mouse metabolite
propylene carbonate	[no description available]	medium	1	0
cephalosporin c	[no description available]	medium	4	0	cephalosporin	fungal metabolite
2-(n-morpholino)ethanesulfonic acid	[no description available]	medium	1	0	MES; organosulfonic acid; zwitterion
trimethyllysine	[no description available]	medium	1	0	alpha-amino-acid cation	human metabolite; mouse metabolite
lombricine	[no description available]	medium	1	0	amino acid zwitterion; lombricine
wortmannin	[no description available]	medium	1	0	acetate ester; cyclic ketone; delta-lactone; organic heteropentacyclic compound	anticoronaviral agent; antineoplastic agent; autophagy inhibitor; EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor; geroprotector; Penicillium metabolite; radiosensitizing agent
gamma-sitosterol	[no description available]	medium	7	0	3beta-hydroxy-Delta(5)-steroid; 3beta-sterol; phytosterols	marine metabolite; plant metabolite
cytellin	[no description available]	medium	11	0
digitonin	[no description available]	medium	11	0
ferrous sulfate	[no description available]	medium	3	0	iron molecular entity; metal sulfate	reducing agent
magnesium sulfate	[no description available]	medium	1	0	magnesium salt; metal sulfate; organic magnesium salt	anaesthetic; analgesic; anti-arrhythmia drug; anticonvulsant; calcium channel blocker; cardiovascular drug; fertilizer; tocolytic agent
ammonium chloride	[no description available]	medium	6	0	ammonium salt; inorganic chloride	ferroptosis inhibitor
myristic acid	[no description available]	medium	4	0	long-chain fatty acid; straight-chain saturated fatty acid	algal metabolite; Daphnia magna metabolite; EC 3.1.1.1 (carboxylesterase) inhibitor; human metabolite
thenoyltrifluoroacetone	[no description available]	medium	9	0
acetonitrile	[no description available]	medium	1	0	aliphatic nitrile; volatile organic compound	EC 3.5.1.4 (amidase) inhibitor; NMR chemical shift reference compound; polar aprotic solvent
cardiovascular agents	[no description available]	medium	7	0
erlotinib hydrochloride	[no description available]	medium	1	0	hydrochloride; terminal acetylenic compound	antineoplastic agent; protein kinase inhibitor
cyclonite	[no description available]	medium	3	0	1,3,5-triazinanes; N-nitro compound	explosive
anthraquinone-2,6-disulfonate	[no description available]	medium	1	0	anthraquinone; arenesulfonic acid
procyanidin	[no description available]	medium	2	0	proanthocyanidin
xylitol	[no description available]	medium	2	0
6-hydroxy-2,5,7,8-tetramethylchroman-2-carboxylic acid	[no description available]	medium	3	0	chromanol; monocarboxylic acid; phenols	antioxidant; ferroptosis inhibitor; neuroprotective agent; radical scavenger; Wnt signalling inhibitor
desvenlafaxine succinate	[no description available]	medium	1	0
isovalerylaldehyde	[no description available]	medium	1	0	methylbutanal	flavouring agent; plant metabolite; Saccharomyces cerevisiae metabolite; volatile oil component
fructooligosaccharide	[no description available]	medium	1	0	oligosaccharide
phenylephrine	[no description available]	medium	2	0	phenols; phenylethanolamines; secondary amino compound	alpha-adrenergic agonist; cardiotonic drug; mydriatic agent; nasal decongestant; protective agent; sympathomimetic agent; vasoconstrictor agent
6-ketoprostaglandin f1 alpha	[no description available]	medium	1	0	prostaglandins Falpha	human metabolite; mouse metabolite
coenzyme a	[no description available]	medium	13	0	adenosine 3',5'-bisphosphate	coenzyme; Escherichia coli metabolite; mouse metabolite
buserelin	[no description available]	medium	1	0	oligopeptide
n-butylamine	[no description available]	medium	1	0	primary aliphatic amine
ruthenium	[no description available]	medium	3	0	iron group element atom; platinum group metal atom
2-hexyldecanoic acid	[no description available]	medium	1	0	medium-chain fatty acid
dextromethorphan	[no description available]	medium	1	0	6-methoxy-11-methyl-1,3,4,9,10,10a-hexahydro-2H-10,4a-(epiminoethano)phenanthrene	antitussive; environmental contaminant; neurotoxin; NMDA receptor antagonist; oneirogen; prodrug; xenobiotic
acetaldehyde	[no description available]	medium	5	0	aldehyde	carcinogenic agent; EC 3.5.1.4 (amidase) inhibitor; electron acceptor; Escherichia coli metabolite; human metabolite; mouse metabolite; mutagen; oxidising agent; Saccharomyces cerevisiae metabolite; teratogenic agent
gentamicin	[no description available]	medium	3	0
fructose-1,6-diphosphate	[no description available]	medium	6	0
safranal	[no description available]	medium	1	0	monoterpenoid
palmitoleic acid	[no description available]	medium	1	0	hexadec-9-enoic acid	algal metabolite; Daphnia galeata metabolite; EC 3.1.1.1 (carboxylesterase) inhibitor; Escherichia coli metabolite; human blood serum metabolite
hesperidin	[no description available]	medium	1	0	3'-hydroxyflavanones; 4'-methoxyflavanones; dihydroxyflavanone; disaccharide derivative; flavanone glycoside; monomethoxyflavanone; rutinoside	mutagen
naringin	[no description available]	medium	1	0	(2S)-flavan-4-one; 4'-hydroxyflavanones; dihydroxyflavanone; disaccharide derivative; neohesperidoside	anti-inflammatory agent; antineoplastic agent; metabolite
sulfamic acid	[no description available]	medium	1	0	sulfamic acids
25-hydroxyprotopanaxadiol	[no description available]	medium	1	0
tocotrienols	[no description available]	medium	1	0	diterpenoid
bacteriochlorophylls	[no description available]	medium	1	0
feldspar	[no description available]	medium	1	0
dimethyl itaconate	[no description available]	medium	1	0
ginsenoside rg5	[no description available]	medium	1	0
glucagon	[no description available]	medium	3	0	peptide hormone
gastrodin	[no description available]	medium	1	0	glycoside
4-chloronitrobenzene	[no description available]	medium	1	0	C-nitro compound
mersalyl	[no description available]	medium	8	0
fluorocitrate	[no description available]	medium	1	0	carbonyl compound
scopoletin	[no description available]	medium	1	0	hydroxycoumarin	plant growth regulator; plant metabolite
rubiadin	[no description available]	medium	1	0	dihydroxyanthraquinone	antibacterial agent; antioxidant; hepatoprotective agent; plant metabolite
n-benzoylphenylalanylphenylalinol acetate	[no description available]	medium	1	0	amphetamines
pyrrolidonecarboxylic acid	[no description available]	medium	2	0	5-oxoproline; L-proline derivative; non-proteinogenic L-alpha-amino acid	algal metabolite
stigmasterol	[no description available]	medium	2	0	3beta-hydroxy-Delta(5)-steroid; 3beta-sterol; phytosterols; stigmastane sterol	plant metabolite
lignoceric acid	[no description available]	medium	3	0	straight-chain saturated fatty acid; very long-chain fatty acid	Daphnia tenebrosa metabolite; human metabolite; plant metabolite; volatile oil component
lyoniside	[no description available]	medium	6	0
fluoroacetic acid	[no description available]	medium	4	0	haloacetic acid; organofluorine compound	EC 4.2.1.3 (aconitate hydratase) inhibitor
pentafluorobenzyl bromide	[no description available]	medium	1	0	benzyl bromides; fluorobenzenes
stearic acid	[no description available]	medium	3	1	long-chain fatty acid; saturated fatty acid; straight-chain saturated fatty acid	algal metabolite; Daphnia magna metabolite; human metabolite; plant metabolite
4-hydroxybenzaldehyde	[no description available]	medium	2	0	hydroxybenzaldehyde	EC 1.14.17.1 (dopamine beta-monooxygenase) inhibitor; mouse metabolite; plant metabolite
fluorexon	[no description available]	medium	1	0	xanthene dye	fluorochrome
1,2-distearoylphosphatidylethanolamine	[no description available]	medium	1	0	phosphatidylethanolamine zwitterion; phosphatidylethanolamine	human metabolite
cholesteryl succinate	[no description available]	medium	1	0	cholestane ester; dicarboxylic acid monoester; hemisuccinate	detergent
erythrosine	[no description available]	medium	9	0
tetrachloroethylene	[no description available]	medium	1	0	chlorocarbon; chloroethenes	nephrotoxic agent
sodium carbonate	[no description available]	medium	2	0	carbonate salt; organic sodium salt
propargylamine	[no description available]	medium	1	0
clorgyline	[no description available]	medium	1	0	aromatic ether; dichlorobenzene; terminal acetylenic compound; tertiary amino compound	antidepressant; EC 1.4.3.4 (monoamine oxidase) inhibitor
gadolinium	[no description available]	medium	1	0	f-block element atom; lanthanoid atom
eudragit rs	[no description available]	medium	3	0
eudragit rl	[no description available]	medium	1	0
4-pentenoic acid	[no description available]	medium	4	0	pentenoic acid
doxylamine succinate	[no description available]	medium	4	0	organic molecular entity
dapsone	[no description available]	medium	1	0	substituted aniline; sulfone	anti-inflammatory drug; antiinfective agent; antimalarial; leprostatic drug
mescaline	[no description available]	medium	3	0	methoxybenzenes; phenethylamine alkaloid; primary amino compound	hallucinogen
ncs 382	[no description available]	medium	2	0
chondroitin sulfates	[no description available]	medium	2	0
phosphoric acid	[no description available]	medium	1	0	phosphoric acids	algal metabolite; fertilizer; human metabolite; NMR chemical shift reference compound; solvent
methylprednisolone	[no description available]	medium	6	2	6-methylprednisolone; primary alpha-hydroxy ketone; tertiary alpha-hydroxy ketone	adrenergic agent; anti-inflammatory drug; antiemetic; environmental contaminant; neuroprotective agent; xenobiotic
2,3-dihydro-3,5-dihydroxy-6-methyl-4h-pyran-4-one	[no description available]	medium	1	0
tert-butylhydroperoxide	[no description available]	medium	11	0	alkyl hydroperoxide	antibacterial agent; oxidising agent
trimetazidine	[no description available]	medium	1	0	aromatic amine
cellobiose	[no description available]	medium	8	0	cellobiose	epitope
potassium carbonate	[no description available]	medium	1	0	carbonate salt; potassium salt	catalyst; fertilizer; flame retardant
potassium hydroxide	[no description available]	medium	2	0	alkali metal hydroxide
ammonium hydroxide	[no description available]	medium	3	0	inorganic hydroxy compound	food acidity regulator
acetoacetic acid	[no description available]	medium	13	0	3-oxo fatty acid; ketone body	metabolite
methylmalonyl-coenzyme a	[no description available]	medium	3	0
8-epi-prostaglandin f2alpha	[no description available]	medium	1	0	F2-isoprostane	biomarker; bronchoconstrictor agent; vasoconstrictor agent
oleuropein	[no description available]	medium	1	0	beta-D-glucoside; catechols; diester; methyl ester; pyrans; secoiridoid glycoside	anti-inflammatory agent; antihypertensive agent; antineoplastic agent; antioxidant; apoptosis inducer; NF-kappaB inhibitor; nutraceutical; plant metabolite; radical scavenger
iridoids	[no description available]	medium	1	0
carbazole	[no description available]	medium	2	0	carbazole
n-isopropylacrylamide	[no description available]	medium	1	0
rutamycin	[no description available]	medium	1	0
malathion	[no description available]	medium	1	0	diester; ethyl ester; organic thiophosphate
caloreen	[no description available]	medium	2	0
n-(2-hydroxypropyl)methacrylamide	[no description available]	medium	1	0
crenatoside	[no description available]	medium	1	0
siccanin	[no description available]	medium	1	0	organic heteropentacyclic compound	antifungal drug; fungal metabolite
bromopyruvate	[no description available]	medium	1	0	2-oxo monocarboxylic acid anion
4-hydroxyphenylpyruvic acid	[no description available]	medium	1	0	2-oxo monocarboxylic acid; phenols	human metabolite
4-hydroxyphenyllactic acid	[no description available]	medium	1	0	2-hydroxy carboxylic acid; phenols	bacterial metabolite; human metabolite
succinylacetone	[no description available]	medium	2	0	beta-diketone; dioxo monocarboxylic acid	human metabolite
rifampin	[no description available]	medium	5	0	cyclic ketal; hydrazone; N-iminopiperazine; N-methylpiperazine; rifamycins; semisynthetic derivative; zwitterion	angiogenesis inhibitor; antiamoebic agent; antineoplastic agent; antitubercular agent; DNA synthesis inhibitor; EC 2.7.7.6 (RNA polymerase) inhibitor; Escherichia coli metabolite; geroprotector; leprostatic drug; neuroprotective agent; pregnane X receptor agonist; protein synthesis inhibitor
iodine	[no description available]	medium	3	0	diatomic iodine	nutrient
glyburide	[no description available]	medium	3	0	monochlorobenzenes; N-sulfonylurea	anti-arrhythmia drug; EC 2.7.1.33 (pantothenate kinase) inhibitor; EC 3.6.3.49 (channel-conductance-controlling ATPase) inhibitor; hypoglycemic agent
tetrodotoxin	[no description available]	medium	1	0	azatetracycloalkane; oxatetracycloalkane; quinazoline alkaloid	animal metabolite; bacterial metabolite; marine metabolite; neurotoxin; voltage-gated sodium channel blocker
propylene glycol	[no description available]	medium	3	0	glycol; propane-1,2-diols	allergen; human xenobiotic metabolite; mouse metabolite; protic solvent
tetramethylrhodamine	[no description available]	medium	1	0	xanthene dye
adenylyl imidodiphosphate	[no description available]	medium	2	0	adenosine 5'-phosphate
3-hydroxyglutaric acid	[no description available]	medium	2	0	3-hydroxy carboxylic acid; alpha,omega-dicarboxylic acid	human blood serum metabolite; human urinary metabolite
limonene	[no description available]	medium	1	0	cycloalkene; p-menthadiene	human metabolite
ethyl lactate	[no description available]	medium	2	0	ethyl ester; lactate ester; secondary alcohol	metabolite
salicylates	[no description available]	medium	9	0	monohydroxybenzoate	plant metabolite
cyanides	[no description available]	medium	22	0	pseudohalide anion	EC 1.9.3.1 (cytochrome c oxidase) inhibitor
cycloolivil	[no description available]	medium	1	0	lignan
lignans	[no description available]	medium	2	0
8-chloro-cyclic adenosine monophosphate	[no description available]	medium	1	0
8-chloroadenosine	[no description available]	medium	1	0
2-chloroadenosine	[no description available]	medium	2	0	purine nucleoside
8-bromo cyclic adenosine monophosphate	[no description available]	medium	2	0	3',5'-cyclic purine nucleotide; adenyl ribonucleotide; organobromine compound	antidepressant; protein kinase agonist
quinic acid	[no description available]	medium	2	0
hexanoic acid	[no description available]	medium	3	0	medium-chain fatty acid; straight-chain saturated fatty acid	human metabolite; plant metabolite
losartan	[no description available]	medium	1	0	biphenylyltetrazole; imidazoles	angiotensin receptor antagonist; anti-arrhythmia drug; antihypertensive agent; endothelin receptor antagonist
canthaxanthin	[no description available]	medium	1	0	carotenone	biological pigment; Escherichia coli metabolite; food colouring; fungal metabolite
barbituric acid	[no description available]	medium	4	0	barbiturates	allergen; xenobiotic
succinylsulfathiazole	[no description available]	medium	1	0	1,3-thiazoles
2,3,4,6-tetrachlorophenol	[no description available]	medium	7	0	tetrachlorophenol	xenobiotic metabolite
2,6-dichlorophenol	[no description available]	medium	1	0	dichlorophenol
3-hydroxyaspartic acid	[no description available]	medium	1	0	amino dicarboxylic acid; aspartic acid derivative; C4-dicarboxylic acid; hydroxy-amino acid
pyridoxal phosphate	[no description available]	medium	5	0	methylpyridines; monohydroxypyridine; pyridinecarbaldehyde; vitamin B6 phosphate	coenzyme; cofactor; EC 2.7.7.7 (DNA-directed DNA polymerase) inhibitor; Escherichia coli metabolite; human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite
magnesium carbonate	[no description available]	medium	5	0	carbonate salt; magnesium salt; one-carbon compound; organic magnesium salt	antacid; fertilizer
sodium acetate, anhydrous	[no description available]	medium	1	0	organic sodium salt	NMR chemical shift reference compound
triclosan	[no description available]	medium	1	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
peptones	[no description available]	medium	3	0
salicylhydroxamic acid	[no description available]	medium	5	0	hydroxamic acid; phenols	antibacterial drug; EC 1.11.2.2 (myeloperoxidase) inhibitor; EC 3.5.1.5 (urease) inhibitor; trypanocidal drug
potassium cyanide	[no description available]	medium	19	0	cyanide salt; one-carbon compound; potassium salt	EC 1.15.1.1 (superoxide dismutase) inhibitor; EC 1.9.3.1 (cytochrome c oxidase) inhibitor; neurotoxin
4-nitro-2,4-diazabutanal	[no description available]	medium	1	0
hydrocortisone acetate	[no description available]	medium	1	0	cortisol ester; tertiary alpha-hydroxy ketone
pulmicort	[no description available]	medium	1	0	11beta-hydroxy steroid; 20-oxo steroid; 21-hydroxy steroid; 3-oxo-Delta(1),Delta(4)-steroid; cyclic acetal; glucocorticoid; primary alpha-hydroxy ketone	anti-inflammatory drug; bronchodilator agent; drug allergen
dihydroxyacetone phosphate	[no description available]	medium	2	0	glycerone phosphates; primary alpha-hydroxy ketone	Escherichia coli metabolite; human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite
dodecyl polyoxyethylene sulfuric acid, sodium salt	[no description available]	medium	1	0
sodium dodecyl sulfate	[no description available]	medium	5	0	organic sodium salt	detergent; protein denaturant
mosapride	[no description available]	medium	1	0	aromatic ether; benzamides; monochlorobenzenes; monofluorobenzenes; morpholines; secondary carboxamide; substituted aniline; tertiary amino compound
6-phosphogluconic acid	[no description available]	medium	1	0	gluconic acid phosphate	fundamental metabolite
3-phosphoglycerate	[no description available]	medium	1	0	monophosphoglyceric acid; tetronic acid derivative	algal metabolite; fundamental metabolite
sedoheptulose 7-phosphate	[no description available]	medium	1	0	ketoheptose phosphate; sedoheptulose derivative	Escherichia coli metabolite; human metabolite; mouse metabolite
ribulose 5-phosphate	[no description available]	medium	1	0	ribulose 5-phosphate	mouse metabolite
spermine	[no description available]	medium	2	0	polyazaalkane; tetramine	antioxidant; fundamental metabolite; immunosuppressive agent
(2-(trimethylammonium)ethyl)methanethiosulfonate	[no description available]	medium	2	0
(2-sulfonatoethyl)methanethiosulfonate	[no description available]	medium	2	0
5,6-dihydroorotate	[no description available]	medium	2	0	monocarboxylic acid; N-acylurea; pyrimidinemonocarboxylic acid; secondary amide
oxonic acid	[no description available]	medium	1	0	1,3,5-triazines; monocarboxylic acid
ng-nitroarginine methyl ester	[no description available]	medium	5	0	alpha-amino acid ester; L-arginine derivative; methyl ester; N-nitro compound	EC 1.14.13.39 (nitric oxide synthase) inhibitor
octenyl succinate	[no description available]	medium	1	0
guanosine 5'-o-(3-thiotriphosphate)	[no description available]	medium	1	0	nucleoside triphosphate analogue
aminoimidazole carboxamide	[no description available]	medium	1	0	aminoimidazole; monocarboxylic acid amide	mouse metabolite
saicar	[no description available]	medium	1	0	1-(phosphoribosyl)imidazolecarboxamide	Escherichia coli metabolite; mouse metabolite
n-methylaspartate	[no description available]	medium	4	0	amino dicarboxylic acid; D-alpha-amino acid; D-aspartic acid derivative; secondary amino compound	neurotransmitter agent
citraconic acid	[no description available]	medium	1	0	dicarboxylic acid; dicarboxylic fatty acid	human metabolite
1-hexanol	[no description available]	medium	2	0	hexanol; primary alcohol	alarm pheromone; antibacterial agent; fragrance; plant metabolite
1-octanol	[no description available]	medium	2	0	octanol; primary alcohol	antifungal agent; bacterial metabolite; fuel additive; kairomone; plant metabolite
ferric ammonium citrate	[no description available]	medium	1	0
4-amino-3-phenylbutyric acid	[no description available]	medium	1	0	organonitrogen compound; organooxygen compound
chlorhexidine	[no description available]	medium	1	0	biguanides; monochlorobenzenes	antibacterial agent; antiinfective agent
arginyl-glycyl-aspartic acid	[no description available]	medium	1	0	oligopeptide
3,4-dehydroproline	[no description available]	medium	1	0
cystamine	[no description available]	medium	1	0	organic disulfide; primary amino compound	EC 2.3.2.13 (protein-glutamine gamma-glutamyltransferase) inhibitor
cadmium sulfide	[no description available]	medium	1	0	cadmium molecular entity
holmium	[no description available]	medium	1	0	f-block element atom; lanthanoid atom
thyronamine	[no description available]	medium	1	0
thyronines	[no description available]	medium	1	0	thyronine
3-iodothyronamine	[no description available]	medium	1	0	aromatic ether
fluorescein-5-isothiocyanate	[no description available]	medium	2	0	fluorescein isothiocyanate
ethylene glycol	[no description available]	medium	1	0	ethanediol; glycol	metabolite; mouse metabolite; solvent; toxin
technetium tc 99m pentetate	[no description available]	medium	1	0
alloxan	[no description available]	medium	2	0	pyrimidone	hyperglycemic agent; metabolite
2',7'-dichlorodihydrofluorescein diacetate	[no description available]	medium	1	0
suberic acid	[no description available]	medium	3	0	alpha,omega-dicarboxylic acid; dicarboxylic fatty acid	human metabolite
suberic acid	[no description available]	medium	3	1	alpha,omega-dicarboxylic acid; dicarboxylic fatty acid	human metabolite
gidazepam	[no description available]	medium	1	0
mitoquinone	[no description available]	medium	1	0
4-phenylpiracetam	[no description available]	medium	1	0
piracetam	[no description available]	medium	1	0	organonitrogen compound; organooxygen compound
2-n-butylmalonate	[no description available]	medium	4	0
sebacic acid	[no description available]	medium	3	0	alpha,omega-dicarboxylic acid; dicarboxylic fatty acid	human metabolite; plant metabolite
andrographolide	[no description available]	medium	1	0	carbobicyclic compound; gamma-lactone; labdane diterpenoid; primary alcohol; secondary alcohol	anti-HIV agent; anti-inflammatory drug; antineoplastic agent; metabolite
carbon tetrachloride	[no description available]	medium	2	0	chlorocarbon; chloromethanes	hepatotoxic agent; refrigerant
losartan potassium	[no description available]	medium	1	0
deoxycholic acid	[no description available]	medium	3	0	bile acid; C24-steroid; dihydroxy-5beta-cholanic acid	human blood serum metabolite
bupivacaine	[no description available]	medium	1	0	aromatic amide; piperidinecarboxamide; tertiary amino compound
ubiquinone q2	[no description available]	medium	6	0	ubiquinones
nicotine	[no description available]	medium	3	0	3-(1-methylpyrrolidin-2-yl)pyridine	anxiolytic drug; biomarker; immunomodulator; mitogen; neurotoxin; nicotinic acetylcholine receptor agonist; peripheral nervous system drug; phytogenic insecticide; plant metabolite; psychotropic drug; teratogenic agent; xenobiotic
idebenone	[no description available]	medium	2	0	1,4-benzoquinones; primary alcohol	antioxidant; ferroptosis inhibitor
kb r7943	[no description available]	medium	1	0
isovanillin	[no description available]	medium	1	0	benzaldehydes; monomethoxybenzene; phenols	animal metabolite; antidiarrhoeal drug; antifungal agent; EC 1.2.3.1 (aldehyde oxidase) inhibitor; HIV protease inhibitor; plant metabolite
chloroform	[no description available]	medium	2	0	chloromethanes; one-carbon compound	carcinogenic agent; central nervous system drug; inhalation anaesthetic; non-polar solvent; refrigerant
hentriacontane	[no description available]	medium	1	0	long-chain alkane	antitubercular agent
homoeriodictyol	[no description available]	medium	1	0	3'-methoxyflavanones; 4'-hydroxyflavanones; monomethoxyflavanone; trihydroxyflavanone	flavouring agent; metabolite
alamethicin	[no description available]	medium	2	0
pyocyanine	[no description available]	medium	2	0	iminium betaine; phenazines	antibacterial agent; bacterial metabolite; biological pigment; virulence factor
arsenic	[no description available]	medium	7	0	metalloid atom; pnictogen	micronutrient
armillarisin a	[no description available]	medium	1	0
neodymium	[no description available]	medium	1	0	f-block element atom; lanthanoid atom
sodium citrate, anhydrous	[no description available]	medium	2	0	organic sodium salt	anticoagulant; flavouring agent
colistimethate sodium	[no description available]	medium	1	0
n-hexadecane	[no description available]	medium	2	0	long-chain alkane	non-polar solvent; plant metabolite; volatile oil component
simvastatin	[no description available]	medium	1	1	delta-lactone; fatty acid ester; hexahydronaphthalenes; statin (semi-synthetic)	EC 1.1.1.34/EC 1.1.1.88 (hydroxymethylglutaryl-CoA reductase) inhibitor; EC 3.4.24.83 (anthrax lethal factor endopeptidase) inhibitor; ferroptosis inducer; geroprotector; prodrug
cystine	[no description available]	medium	2	1
lauric acid	[no description available]	medium	2	1	medium-chain fatty acid; straight-chain saturated fatty acid	algal metabolite; antibacterial agent; plant metabolite
xanthine	[no description available]	medium	4	1	xanthine	Saccharomyces cerevisiae metabolite
4-aminobutanol	[no description available]	medium	1	0
amtizol	[no description available]	medium	1	0
guanylthiourea	[no description available]	medium	1	0
estrone	[no description available]	medium	2	0	17-oxo steroid; 3-hydroxy steroid; phenolic steroid; phenols	antineoplastic agent; bone density conservation agent; estrogen; human metabolite; mouse metabolite
methylamine	[no description available]	medium	3	0	methylamines; one-carbon compound; primary aliphatic amine	mouse metabolite
alcian blue	[no description available]	medium	1	0
imidacloprid	[no description available]	medium	1	0	imidacloprid; imidazolidines; monochloropyridine	environmental contaminant; genotoxin; neonicotinoid insectide; nicotinic acetylcholine receptor agonist; xenobiotic
argon	[no description available]	medium	2	0	monoatomic argon; noble gas atom; p-block element atom	food packaging gas; neuroprotective agent
3-methoxybenzamide	[no description available]	medium	1	0
peroxynitrous acid	[no description available]	medium	2	0	nitrogen oxoacid
noc 7	[no description available]	medium	1	0
ku 55933	[no description available]	medium	1	0
2,2'-azino-di-(3-ethylbenzothiazoline)-6-sulfonic acid	[no description available]	medium	1	0
syringaldazine	[no description available]	medium	1	0
dithiothreitol	[no description available]	medium	6	0	1,4-dimercaptobutane-2,3-diol; butanediols; dithiol; glycol; thiol	chelator; human metabolite; reducing agent
ethylmaleimide	[no description available]	medium	8	0	maleimides	anticoronaviral agent; EC 1.3.1.8 [acyl-CoA dehydrogenase (NADP(+))] inhibitor; EC 2.1.1.122 [(S)-tetrahydroprotoberberine N-methyltransferase] inhibitor; EC 2.7.1.1 (hexokinase) inhibitor
stigmatellin	[no description available]	medium	3	0	aromatic ether; chromones; olefinic compound; phenols	bacterial metabolite; quinol oxidation site inhibitor
hydroxyl radical	[no description available]	medium	7	0	oxygen hydride; oxygen radical; reactive oxygen species
chiniofon	[no description available]	medium	10	0
nonyl-4-hydroxyquinoline-n-oxide	[no description available]	medium	2	0
11-cis-retinal	[no description available]	medium	2	0	retinal	chromophore; human metabolite; mouse metabolite
irgarol 1051	[no description available]	medium	1	0	aryl sulfide; cyclopropanes; diamino-1,3,5-triazine	antifouling biocide; environmental contaminant; xenobiotic
mono-(2-ethylhexyl)phthalate	[no description available]	medium	1	0	phthalic acid monoester
ryanodine	[no description available]	medium	1	0
inositol 1,4,5-trisphosphate	[no description available]	medium	2	0	myo-inositol trisphosphate	mouse metabolite
2-aminoethoxydiphenyl borate	[no description available]	medium	1	0	organoboron compound; primary amino compound	calcium channel blocker; IP3 receptor antagonist; potassium channel opener
glycidyl trimethylammonium chloride	[no description available]	medium	1	0
cellulose triacetate	[no description available]	medium	1	0
triptolide	[no description available]	medium	1	0	diterpenoid; epoxide; gamma-lactam; organic heteroheptacyclic compound	antispermatogenic agent; plant metabolite
potassium chloride	[no description available]	medium	8	0	inorganic chloride; inorganic potassium salt; potassium salt	fertilizer
6,10,14-trimethylpentadecan-2-ol	[no description available]	medium	1	0
myxothiazol	[no description available]	medium	20	0
rhodoquinone	[no description available]	medium	3	0
diphenyliodonium	[no description available]	medium	2	0
4,4'-diisothiocyanostilbene-2,2'-disulfonic acid	[no description available]	medium	6	0
sevoflurane	[no description available]	medium	1	0	ether; organofluorine compound	central nervous system depressant; inhalation anaesthetic; platelet aggregation inhibitor
halothane	[no description available]	medium	3	0	haloalkane; organobromine compound; organochlorine compound; organofluorine compound	inhalation anaesthetic
glycosides	[no description available]	medium	4	0
germanium	[no description available]	medium	1	0	carbon group element atom; metalloid atom; nonmetal atom
germanium oxide	[no description available]	medium	1	0
carbostyril	[no description available]	medium	3	0	monohydroxyquinoline; quinolone	bacterial xenobiotic metabolite
acridines	[no description available]	medium	4	0	acridines; mancude organic heterotricyclic parent; polycyclic heteroarene	genotoxin
10,10'-dimethyl-9,9'-biacridinium	[no description available]	medium	3	0
tolbutamide	[no description available]	medium	2	0	N-sulfonylurea	human metabolite; hypoglycemic agent; insulin secretagogue; potassium channel blocker
4-fluorothreonine	[no description available]	medium	1	0	amino acid zwitterion; fluoroamino acid; L-threonine derivative; non-proteinogenic L-alpha-amino acid
andrographoside	[no description available]	medium	1	0
citral	[no description available]	medium	1	0	enal; monoterpenoid; polyprenal	plant metabolite; volatile oil component
7,3'-dihydroxy-4'-methoxyisoflavone	[no description available]	medium	1	0	4'-methoxyisoflavones; 7-hydroxyisoflavones	antioxidant; metabolite
1-triacontanol	[no description available]	medium	1	0	fatty alcohol 30:0; ultra-long-chain primary fatty alcohol
ferric chloride	[no description available]	medium	3	0	iron coordination entity	astringent; Lewis acid
dihydrorhodamine 6g	[no description available]	medium	1	0
staurosporine	[no description available]	medium	1	0	ammonium ion derivative
n-acetylsphingosine	[no description available]	medium	1	0	N-acylsphingosine
dizocilpine maleate	[no description available]	medium	4	0	maleate salt; tetracyclic antidepressant	anaesthetic; anticonvulsant; neuroprotective agent; nicotinic antagonist; NMDA receptor antagonist
thiazolyl blue	[no description available]	medium	4	0	organic bromide salt	colorimetric reagent; dye
pinacidil	[no description available]	medium	3	0	pyridines
palmitoyl coenzyme a	[no description available]	medium	5	0	11,12-saturated fatty acyl-CoA; 3-substituted propionyl-CoA; long-chain fatty acyl-CoA; palmitoyl bioconjugate	Escherichia coli metabolite; mouse metabolite
2-methyl-4-chlorophenoxyacetic acid	[no description available]	medium	1	0	chlorophenoxyacetic acid; monochlorobenzenes	environmental contaminant; phenoxy herbicide; synthetic auxin
2-methyl-4-chlorophenoxy gamma-butyric acid	[no description available]	medium	1	0	aromatic ether; monocarboxylic acid; monochlorobenzenes	environmental contaminant; phenoxy herbicide; xenobiotic
3,5-dichlorophenol	[no description available]	medium	1	0	dichlorophenol
4-(2,4-dichlorophenoxy)butyric acid	[no description available]	medium	1	0	aromatic ether; monocarboxylic acid; organochlorine compound	agrochemical; phenoxy herbicide; synthetic auxin
clofibric acid	[no description available]	medium	1	0	aromatic ether; monocarboxylic acid; monochlorobenzenes	anticholesteremic drug; antilipemic drug; antineoplastic agent; herbicide; marine xenobiotic metabolite; PPARalpha agonist
2,4-dichlorophenoxyacetic acid	[no description available]	medium	3	0	chlorophenoxyacetic acid; dichlorobenzene	agrochemical; defoliant; EC 1.1.1.25 (shikimate dehydrogenase) inhibitor; environmental contaminant; phenoxy herbicide; synthetic auxin
fibric acid	[no description available]	medium	1	0
raffinose	[no description available]	medium	3	0	raffinose family oligosaccharide; trisaccharide	mouse metabolite; plant metabolite; Saccharomyces cerevisiae metabolite
osteum	[no description available]	medium	1	0	organic molecular entity
ubiquinone q3	[no description available]	medium	1	0
ribulose	[no description available]	medium	1	0	ribulose	Escherichia coli metabolite; human metabolite
perftoran	[no description available]	medium	1	0
trovirdine	[no description available]	medium	1	0
thyroxine	[no description available]	medium	14	0	2-halophenol; iodophenol; L-phenylalanine derivative; non-proteinogenic L-alpha-amino acid; thyroxine zwitterion; thyroxine	antithyroid drug; human metabolite; mouse metabolite; thyroid hormone
dicyanmethane	[no description available]	medium	1	0	aliphatic nitrile; dinitrile
dicolinium iodide	[no description available]	medium	2	0
nitrophenols	[no description available]	medium	6	0
antimony	[no description available]	medium	11	0	metalloid atom; pnictogen
cysteine sulfinic acid	[no description available]	medium	2	0
reserpine	[no description available]	medium	1	0	alkaloid ester; methyl ester; yohimban alkaloid	adrenergic uptake inhibitor; antihypertensive agent; EC 3.4.21.26 (prolyl oligopeptidase) inhibitor; environmental contaminant; first generation antipsychotic; plant metabolite; xenobiotic
guanidinoethane sulfonate	[no description available]	medium	1	0	guanidines; organosulfonic acid; zwitterion
homarine	[no description available]	medium	2	0	non-proteinogenic alpha-amino acid
hematoporphyrin	[no description available]	medium	1	0
sulfanilamide	[no description available]	medium	1	0	substituted aniline; sulfonamide antibiotic; sulfonamide	antibacterial agent; drug allergen; EC 4.2.1.1 (carbonic anhydrase) inhibitor
1-phenylpropanol	[no description available]	medium	1	0	organic molecular entity
desoxycorticosterone	[no description available]	medium	3	0	20-oxo steroid; 21-hydroxy steroid; 3-oxo-Delta(4) steroid; mineralocorticoid; primary alpha-hydroxy ketone	human metabolite; mouse metabolite
thiamine	[no description available]	medium	5	0	primary alcohol; vitamin B1	Escherichia coli metabolite; human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite
cyclohexanol	[no description available]	medium	1	0	cyclohexanols; secondary alcohol	solvent
amobarbital	[no description available]	medium	8	0	barbiturates
hydroxydione	[no description available]	medium	3	0	20-oxo steroid; 21-hydroxy steroid; 3-oxo-5beta-steroid; primary alpha-hydroxy ketone	human xenobiotic metabolite
ricinine	[no description available]	medium	1	0	nitrile; pyridine alkaloid; pyridone
neotetrazolium	[no description available]	medium	3	0
vitamin k semiquinone radical	[no description available]	medium	9	0
2-naphthylamine	[no description available]	medium	2	0	naphthylamine	carcinogenic agent
acid phosphatase	[no description available]	medium	2	0
dehydrocholic acid	[no description available]	medium	1	0	12-oxo steroid; 3-oxo-5beta-steroid; 7-oxo steroid; oxo-5beta-cholanic acid	gastrointestinal drug
succimer	[no description available]	medium	4	0	dicarboxylic acid; dithiol; sulfur-containing carboxylic acid	chelator
stibocaptate	[no description available]	medium	4	0
pyridine hemochrome	[no description available]	medium	1	0
acetylcellulose	[no description available]	medium	1	0
resorcinol	[no description available]	medium	2	0	benzenediol; phenolic donor; resorcinols	erythropoietin inhibitor; sensitiser
atractyloside	[no description available]	medium	15	0
1,4-naphthoquinone	[no description available]	medium	1	0	1,4-naphthoquinones
naphthoquinones	[no description available]	medium	6	0
my 12-62c	[no description available]	medium	1	0	monohydroxyquinoline; quinolone	antibacterial agent; iron chelator; metabolite; signalling molecule
ribose	[no description available]	medium	4	0	D-ribose; ribopyranose
indophenol	[no description available]	medium	3	0	quinone imine	dye
dicumarol	[no description available]	medium	3	0	hydroxycoumarin	anticoagulant; EC 1.6.5.2 [NAD(P)H dehydrogenase (quinone)] inhibitor; Hsp90 inhibitor; vitamin K antagonist
imidazole	[no description available]	medium	1	0	imidazole
mesoxalonitrile	[no description available]	medium	1	0	alpha-ketonitrile; nitrile
n(1)-acetylphenylhydrazine	[no description available]	medium	1	0
phenylhydrazine	[no description available]	medium	1	0	phenylhydrazines	xenobiotic
estriol	[no description available]	medium	1	0	16alpha-hydroxy steroid; 17beta-hydroxy steroid; 3-hydroxy steroid	estrogen; human metabolite; human xenobiotic metabolite; mouse metabolite
antimony potassium tartrate	[no description available]	medium	1	0
4-phenylenediamine	[no description available]	medium	1	0	phenylenediamine	allergen; dye; hapten; reagent
ethylenediamine	[no description available]	medium	2	0	alkane-alpha,omega-diamine	GABA agonist
hexobarbital	[no description available]	medium	1	0	barbiturates
mechlorethamine	[no description available]	medium	1	0	nitrogen mustard; organochlorine compound	alkylating agent
3-hydroxyanthranilic acid	[no description available]	medium	1	0	aminobenzoic acid; monohydroxybenzoic acid	human metabolite; mouse metabolite
rhodamine 123	[no description available]	medium	3	0	organic cation; xanthene dye	fluorochrome
cobamamide	[no description available]	medium	4	0
nicorandil	[no description available]	medium	1	0	nitrate ester; pyridinecarboxamide	potassium channel opener; vasodilator agent
amlodipine	[no description available]	medium	1	0	dihydropyridine; ethyl ester; methyl ester; monochlorobenzenes; primary amino compound	antihypertensive agent; calcium channel blocker; vasodilator agent
ggti 2147	[no description available]	medium	1	0
potassium phosphate	[no description available]	medium	1	0	inorganic phosphate salt; inorganic potassium salt
egtazic acid	[no description available]	medium	11	0	diether; tertiary amino compound; tetracarboxylic acid	chelator
aluminum chloride	[no description available]	medium	1	0	aluminium coordination entity	Lewis acid
hydrochloric acid	[no description available]	medium	2	0	chlorine molecular entity; gas molecular entity; hydrogen halide; mononuclear parent hydride	mouse metabolite
bromodeoxyuridine	[no description available]	medium	1	0	pyrimidine 2'-deoxyribonucleoside	antimetabolite; antineoplastic agent
aurachin d	[no description available]	medium	1	0	sesquiterpenoid
dithionite	[no description available]	medium	9	0	sulfur oxide; sulfur oxoanion
alpha-cyano-4-hydroxycinnamate	[no description available]	medium	3	0
syringic acid	[no description available]	medium	2	0	benzoic acids; dimethoxybenzene; phenols	plant metabolite
gallic acid	[no description available]	medium	5	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
carbonic acid	[no description available]	medium	1	0	carbon oxoacid; chalcocarbonic acid	mouse metabolite
succinimide	[no description available]	medium	2	0	dicarboximide; pyrrolidinone
carbene	[no description available]	medium	3	0	carbene; methanediyl
potassium bicarbonate	[no description available]	medium	1	0	organic salt; potassium salt	antifungal agrochemical; buffer; food acidity regulator; raising agent
aluminum sulfate	[no description available]	medium	1	0	aluminium sulfate
3-hexen-1-ol	[no description available]	medium	1	0	alkenyl alcohol; homoallylic alcohol; primary alcohol; volatile organic compound	plant metabolite
captopril	[no description available]	medium	1	0	alkanethiol; L-proline derivative; N-acylpyrrolidine; pyrrolidinemonocarboxylic acid	antihypertensive agent; EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor
mercuric chloride	[no description available]	medium	3	0	mercury coordination entity	sensitiser
uridine triphosphate	[no description available]	medium	3	0	pyrimidine ribonucleoside 5'-triphosphate; uridine 5'-phosphate	Escherichia coli metabolite; mouse metabolite
cytidine triphosphate	[no description available]	medium	4	0	cytidine 5'-phosphate; pyrimidine ribonucleoside 5'-triphosphate	Escherichia coli metabolite; mouse metabolite
duroquinone	[no description available]	medium	4	0	1,4-benzoquinones
pheophorbide a	[no description available]	medium	1	0
acetylglucosamine	[no description available]	medium	1	0	N-acetyl-D-glucosamine	epitope
polygalacturonic acid	[no description available]	medium	1	0	D-galacturonic acid
rhamnose	[no description available]	medium	3	0	L-rhamnose
fucose	[no description available]	medium	1	0	fucopyranose; L-fucose	Escherichia coli metabolite; mouse metabolite
n-acetylfucosamine	[no description available]	medium	1	0	amino sugar
blastmycin	[no description available]	medium	1	0	amidobenzoic acid
ubiquinone 9	[no description available]	medium	2	0	ubiquinones	antioxidant; human metabolite
protocatechualdehyde	[no description available]	medium	2	0	dihydroxybenzaldehyde
alpha-isopropylmalate	[no description available]	medium	1	0	2-isopropylmalic acid
sodium bicarbonate	[no description available]	medium	4	1	one-carbon compound; organic sodium salt	antacid; food anticaking agent
cyclopentane	[no description available]	medium	1	0	cycloalkane; cyclopentanes; volatile organic compound	non-polar solvent
chromium	[no description available]	medium	1	0	chromium cation; monoatomic hexacation
guanidinosuccinic acid	[no description available]	medium	1	0	L-alpha-amino acid anion
bicuculline	[no description available]	medium	1	0	benzylisoquinoline alkaloid; isoquinoline alkaloid; isoquinolines	agrochemical; central nervous system stimulant; GABA-gated chloride channel antagonist; GABAA receptor antagonist; neurotoxin
2-propylamine	[no description available]	medium	1	0	alkylamines; primary aliphatic amine
tri-n-octylamine	[no description available]	medium	2	0
mercaptoethanol	[no description available]	medium	3	0	alkanethiol; primary alcohol	geroprotector
dihydro-3-coumaric acid	[no description available]	medium	1	0	monocarboxylic acid	Escherichia coli metabolite; human xenobiotic metabolite
dimethylglycine	[no description available]	medium	1	0	amino acid zwitterion; N-methyl-amino acid; N-methylglycines	Daphnia magna metabolite; human metabolite; mouse metabolite
glyceric acid	[no description available]	medium	1	0	trionic acid	fundamental metabolite
diamide	[no description available]	medium	2	0	1,1'-azobis(N,N-dimethylformamide)
1,5-dihydro-fad	[no description available]	medium	1	0	flavin adenine dinucleotide	Escherichia coli metabolite; mouse metabolite
mevinphos	[no description available]	medium	1	0
4-chloromercuribenzenesulfonate	[no description available]	medium	1	0	arenesulfonic acid; arylmercury compound
p-chloromercuribenzoic acid	[no description available]	medium	2	0	chlorine molecular entity; mercuribenzoic acid
carboxin	[no description available]	medium	3	0	anilide fungicide; anilide; enamide; organosulfur heterocyclic compound; oxacycle; secondary carboxamide	antifungal agrochemical; EC 1.3.5.1 [succinate dehydrogenase (quinone)] inhibitor
cyclic gmp	[no description available]	medium	2	0	3',5'-cyclic purine nucleotide; guanyl ribonucleotide	Escherichia coli metabolite; human metabolite; mouse metabolite; plant metabolite; Saccharomyces cerevisiae metabolite
acridine orange	[no description available]	medium	1	0	aminoacridines; aromatic amine; tertiary amino compound	fluorochrome; histological dye
guanosine monophosphate	[no description available]	medium	3	0	guanosine 5'-phosphate; purine ribonucleoside 5'-monophosphate	biomarker; Escherichia coli metabolite; metabolite; mouse metabolite
subtilin	[no description available]	medium	2	0
3,3'-dihexyl-2,2'-oxacarbocyanine	[no description available]	medium	1	0
carbocyanines	[no description available]	medium	4	0	cyanine dye; organic iodide salt	fluorochrome
pirinixic acid	[no description available]	medium	1	0	aryl sulfide; organochlorine compound; pyrimidines
lithium chloride	[no description available]	medium	2	0	inorganic chloride; lithium salt	antimanic drug; geroprotector
ethyldimethylaminopropyl carbodiimide	[no description available]	medium	1	0
1,4-dioxane	[no description available]	medium	1	0	dioxane; volatile organic compound	carcinogenic agent; metabolite; NMR chemical shift reference compound; non-polar solvent
methyl nicotinate	[no description available]	medium	1	0	aromatic carboxylic acid; pyridines
ethane	[no description available]	medium	2	0	alkane; gas molecular entity	plant metabolite; refrigerant
vanillin	[no description available]	medium	1	0	benzaldehydes; monomethoxybenzene; phenols	anti-inflammatory agent; anticonvulsant; antioxidant; flavouring agent; plant metabolite
glycocyamine	[no description available]	medium	1	0	guanidinoacetic acids; zwitterion	bacterial metabolite; human metabolite; mouse metabolite; nutraceutical; rat metabolite
dipyridamole	[no description available]	medium	2	0	piperidines; pyrimidopyrimidine; tertiary amino compound; tetrol	adenosine phosphodiesterase inhibitor; EC 3.5.4.4 (adenosine deaminase) inhibitor; platelet aggregation inhibitor; vasodilator agent
fluorescein	[no description available]	medium	2	0	2-benzofurans; gamma-lactone; organic heteropentacyclic compound; oxaspiro compound; polyphenol; xanthene dye	fluorescent dye; radioopaque medium
cetyltrimethylammonium ion	[no description available]	medium	1	0	quaternary ammonium ion
18-crown-6	[no description available]	medium	1	0	crown ether; saturated organic heteromonocyclic parent	phase-transfer catalyst
theanine	[no description available]	medium	1	0	amino acid zwitterion; N(5)-alkyl-L-glutamine	geroprotector; neuroprotective agent; plant metabolite
penicillamine	[no description available]	medium	1	0	non-proteinogenic alpha-amino acid; penicillamine	antirheumatic drug; chelator; copper chelator; drug allergen
s-nitro-n-acetylpenicillamine	[no description available]	medium	1	0
3-iodobenzylguanidine	[no description available]	medium	2	0	organoiodine compound
hydrogen cyanide	[no description available]	medium	2	0	hydracid; one-carbon compound	Escherichia coli metabolite; human metabolite; poison
humulin s	[no description available]	medium	1	0
s-(1,2-dicarboxyethyl)cysteine	[no description available]	medium	2	0	L-cysteine thioether; tricarboxylic acid	human metabolite; Maillard reaction product
calcium gluconate	[no description available]	medium	2	0	calcium salt	nutraceutical
mangiferin	[no description available]	medium	1	0	C-glycosyl compound; xanthones	anti-inflammatory agent; antioxidant; hypoglycemic agent; plant metabolite
cumene hydroperoxide	[no description available]	medium	3	0	peroxol	environmental contaminant; Mycoplasma genitalium metabolite; oxidising agent
diazoxide	[no description available]	medium	3	0	benzothiadiazine; organochlorine compound; sulfone	antihypertensive agent; beta-adrenergic agonist; bronchodilator agent; cardiotonic drug; diuretic; K-ATP channel agonist; sodium channel blocker; sympathomimetic agent; vasodilator agent
1-methyl-3-isobutylxanthine	[no description available]	medium	3	0	3-isobutyl-1-methylxanthine
ovalbumin	[no description available]	medium	1	0
alpha-methyl-dl-aspartate	[no description available]	medium	1	0
ozone	[no description available]	medium	1	0	elemental molecule; gas molecular entity; reactive oxygen species; triatomic oxygen	antiseptic drug; disinfectant; electrophilic reagent; greenhouse gas; mutagen; oxidising agent; tracer
4-chlorophenol	[no description available]	medium	1	0	monochlorophenol
sodium selenite	[no description available]	medium	1	0	inorganic sodium salt; selenite salt	nutraceutical
amyrin acetate	[no description available]	medium	1	0
azelaic acid	[no description available]	medium	1	0	alpha,omega-dicarboxylic acid; dicarboxylic fatty acid	antibacterial agent; antineoplastic agent; dermatologic drug; plant metabolite
sulfoacetaldehyde	[no description available]	medium	1	0	alpha-CH2-containing aldehyde; organosulfonic acid
famotidine	[no description available]	medium	1	0	1,3-thiazoles; guanidines; sulfonamide	anti-ulcer drug; H2-receptor antagonist; P450 inhibitor
chlorite	[no description available]	medium	1	0	chlorine oxoanion; monovalent inorganic anion
chlorates	[no description available]	medium	1	0	chlorine oxoanion; monovalent inorganic anion
propylene	[no description available]	medium	1	0	alkene; gas molecular entity	refrigerant; xenobiotic
ns 1619	[no description available]	medium	1	0	(trifluoromethyl)benzenes; benzimidazoles; phenols	potassium channel opener
terfenadine	[no description available]	medium	1	0	diarylmethane
2-nitrobenzoate	[no description available]	medium	1	0	nitrobenzoate
cytochalasin d	[no description available]	medium	1	0
deuterium oxide	[no description available]	medium	3	0	deuterated compound; water	NMR solvent
matairesinol	[no description available]	medium	1	0	gamma-lactone; lignan; polyphenol	angiogenesis inhibitor; anti-asthmatic agent; phytoestrogen; plant metabolite
carbenoxolone sodium	[no description available]	medium	1	0	triterpenoid
2,5-dihydroxypyridine	[no description available]	medium	1	0	dihydroxypyridine	mouse metabolite
lactamide	[no description available]	medium	1	0	monocarboxylic acid amide; secondary alcohol
mycophenolic acid	[no description available]	medium	1	0	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
khafrefungin	[no description available]	medium	1	0
ureidosuccinic acid	[no description available]	medium	1	0	aspartic acid derivative; C4-dicarboxylic acid; N-carbamoyl-amino acid	Escherichia coli metabolite; human metabolite; Saccharomyces cerevisiae metabolite
tellurium	[no description available]	medium	1	0	chalcogen; metalloid atom
tellurous acid	[no description available]	medium	1	0	tellurium oxoacid
n(6)-carboxymethyllysine	[no description available]	medium	1	0	L-lysine derivative; non-proteinogenic L-alpha-amino acid	antigen
adenosine diphosphate ribose	[no description available]	medium	2	0	ADP-sugar	Escherichia coli metabolite; mouse metabolite
methyl isobutyl ketone	[no description available]	medium	1	0	ketone
methyl n-butyl ketone	[no description available]	medium	1	0	ketone
dodecylamine	[no description available]	medium	1	0	primary aliphatic amine
2-hydroxy-5-carboxymethylmuconate semialdehyde	[no description available]	medium	1	0
4-hydroxyphenylacetic acid	[no description available]	medium	2	0	monocarboxylic acid; phenols	fungal metabolite; human metabolite; mouse metabolite; plant metabolite
4-hydroxyphenylethanol	[no description available]	medium	1	0	phenols	anti-arrhythmia drug; antioxidant; cardiovascular drug; fungal metabolite; geroprotector; plant metabolite; protective agent
3,4-dihydroxyphenylethanol	[no description available]	medium	1	0	catechols; primary alcohol	antineoplastic agent; antioxidant; metabolite
fibrin	[no description available]	medium	2	0	peptide
3-methylthymine	[no description available]	medium	1	0	methylthymine; pyrimidone	metabolite
thymine	[no description available]	medium	2	0	pyrimidine nucleobase; pyrimidone	Escherichia coli metabolite; human metabolite; mouse metabolite
corynomycolic acid	[no description available]	medium	1	0	3-hydroxy fatty acid; mycolic acid
inosinic acid	[no description available]	medium	1	0	inosine phosphate; purine ribonucleoside 5'-monophosphate	Escherichia coli metabolite; human metabolite; mouse metabolite
1,2-oleoylphosphatidylcholine	[no description available]	medium	1	0	phosphatidylcholine(1+)
lanthionine	[no description available]	medium	1	0	alanine derivative; non-proteinogenic alpha-amino acid; organic sulfide	bacterial metabolite
uridine diphosphate n-acetylmuramic acid	[no description available]	medium	1	0	UDP-N-acetylmuramate(3-)
6-carboxyfluorescein	[no description available]	medium	2	0	monocarboxylic acid
1,2-dioleoyl-sn-glycero-3-phosphoglycerol	[no description available]	medium	1	0	1,2-diacyl-sn-glycero-3-phospho-(1'-sn-glycerol)
benzonidazole	[no description available]	medium	1	0	C-nitro compound; imidazoles; monocarboxylic acid amide	antiprotozoal drug
azomycin	[no description available]	medium	1	0	C-nitro compound; imidazoles	antitubercular agent
methadone	[no description available]	medium	1	0	benzenes; diarylmethane; ketone; tertiary amino compound
mephenesin	[no description available]	medium	1	0	aromatic ether; glycerol ether
abietic acid	[no description available]	medium	1	0	abietane diterpenoid; monocarboxylic acid	plant metabolite
dehydroabietic acid	[no description available]	medium	1	0	abietane diterpenoid; carbotricyclic compound; monocarboxylic acid	allergen; metabolite
pyochelin	[no description available]	medium	2	0	monocarboxylic acid; phenols; thiazolidines	metabolite; siderophore
yersiniabactin	[no description available]	medium	1	0	monocarboxylic acid; phenols; secondary alcohol; thiazolidines	bacterial metabolite; siderophore
thiomethylgalactoside	[no description available]	medium	1	0
taraxasteryl acetate	[no description available]	medium	1	0	triterpenoid	metabolite
betulinic acid	[no description available]	medium	1	0	hydroxy monocarboxylic acid; pentacyclic triterpenoid	anti-HIV agent; anti-inflammatory agent; antimalarial; antineoplastic agent; EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor; plant metabolite
arabinogalactan	[no description available]	medium	1	0
araban	[no description available]	medium	1	0
citronellyl acetate	[no description available]	medium	1	0	acetate ester; monoterpenoid	plant metabolite
amiloride	[no description available]	medium	2	0	aromatic amine; guanidines; organochlorine compound; pyrazines	diuretic; sodium channel blocker
ethylisopropylamiloride	[no description available]	medium	2	0	aromatic amine; guanidines; monocarboxylic acid amide; organochlorine compound; pyrazines; tertiary amino compound	anti-arrhythmia drug; neuroprotective agent; sodium channel blocker
homocysteine	[no description available]	medium	2	0	amino acid zwitterion; homocysteine; serine family amino acid	fundamental metabolite; mouse metabolite
cyanophycin	[no description available]	medium	1	0
hydroquinone	[no description available]	medium	1	0	benzenediol; hydroquinones	antioxidant; carcinogenic agent; cofactor; Escherichia coli metabolite; human xenobiotic metabolite; mouse metabolite; skin lightening agent
phosphorodithioic acid	[no description available]	medium	1	0	phosphorothioic acid
oxathiaphospholane	[no description available]	medium	1	0
2-hydroxyisobutyric acid	[no description available]	medium	1	0	2-hydroxy monocarboxylic acid	human xenobiotic metabolite
tert-amyl alcohol	[no description available]	medium	1	0	aliphatic alcohol; tertiary alcohol	protic solvent
tertiary-amyl methyl ether	[no description available]	medium	1	0
methyl tert-butyl ether	[no description available]	medium	1	0	ether	fuel additive; metabolite; non-polar solvent
ethyl tert-butyl ether	[no description available]	medium	1	0	ether; volatile organic compound	fuel additive
2-phenylsuccinate	[no description available]	medium	4	0
2,6-dichloroindophenol	[no description available]	medium	4	0	dichlorobenzene; quinone imine
valinomycin	[no description available]	medium	19	0	cyclodepsipeptide; macrocycle	antimicrobial agent; antiviral agent; bacterial metabolite; potassium ionophore
arsenic acid	[no description available]	medium	2	0	arsenic oxoacid	Escherichia coli metabolite
2-methylpentane	[no description available]	medium	2	0	alkane
octadecane	[no description available]	medium	1	0	long-chain alkane	bacterial metabolite; plant metabolite
n-dodecane	[no description available]	medium	1	0	alkane	plant metabolite
2-(n-heptyl)-4-hydroxyquinoline n-oxide	[no description available]	medium	7	0	monohydroxyquinoline
laurosept	[no description available]	medium	1	0
endosulfan	[no description available]	medium	1	0	cyclic sulfite ester; cyclodiene organochlorine insecticide	acaricide; agrochemical; GABA-gated chloride channel antagonist; persistent organic pollutant
guanosine tetraphosphate	[no description available]	medium	1	0	guanosine bisphosphate	Escherichia coli metabolite; mouse metabolite
4-acetamido-4'-isothiocyanatostilbene-2,2'-disulfonic acid	[no description available]	medium	2	0	stilbenoid
3-mercaptopicolinic acid	[no description available]	medium	4	0
sodium sulfate	[no description available]	medium	1	0	inorganic sodium salt
dicyclohexylcarbodiimide	[no description available]	medium	6	0	carbodiimide	ATP synthase inhibitor; cross-linking reagent; peptide coupling reagent
carbodiimides	[no description available]	medium	2	0	carbodiimide
dibromothymoquinone	[no description available]	medium	1	0	1,4-benzoquinones	cytochrome-b6f complex inhibitor
methyltestosterone	[no description available]	medium	1	0	17beta-hydroxy steroid; 3-oxo-Delta(4) steroid; enone	anabolic agent; androgen; antineoplastic agent
neutral red	[no description available]	medium	1	0	hydrochloride	acid-base indicator; dye; two-colour indicator
bucladesine	[no description available]	medium	3	0	3',5'-cyclic purine nucleotide
pyranine	[no description available]	medium	1	0	organic sodium salt	fluorochrome
adenosine 5'-o-(3-thiotriphosphate)	[no description available]	medium	1	0	nucleoside triphosphate analogue
ethionamide	[no description available]	medium	2	0	pyridines; thiocarboxamide	antilipemic drug; antitubercular agent; fatty acid synthesis inhibitor; leprostatic drug; prodrug
methyldimethylaminoazobenzene	[no description available]	medium	1	0
p-dimethylaminoazobenzene	[no description available]	medium	2	0	azobenzenes
aflatoxin g1	[no description available]	medium	1	0
aflatoxin b1	[no description available]	medium	1	0	aflatoxin; aromatic ether; aromatic ketone	carcinogenic agent; human metabolite
ethidium	[no description available]	medium	2	0	phenanthridines	fluorochrome; intercalator
cetylpyridinium	[no description available]	medium	1	0	pyridinium ion
propionyl-coenzyme a	[no description available]	medium	4	0	acyl-CoA	Escherichia coli metabolite; metabolite; mouse metabolite
octanoic acid	[no description available]	medium	6	0	medium-chain fatty acid; straight-chain saturated fatty acid	antibacterial agent; Escherichia coli metabolite; human metabolite
nicotinamide mononucleotide	[no description available]	medium	1	0	nicotinamide mononucleotide	Escherichia coli metabolite; mouse metabolite
monensin b	[no description available]	medium	1	0
ethylnitrosourea	[no description available]	medium	1	0	N-nitrosoureas	alkylating agent; carcinogenic agent; genotoxin; mutagen
methylglucoside	[no description available]	medium	2	0
propylthiouracil	[no description available]	medium	1	0	pyrimidinethione	antidote to paracetamol poisoning; antimetabolite; antioxidant; antithyroid drug; carcinogenic agent; EC 1.14.13.39 (nitric oxide synthase) inhibitor; hormone antagonist
hydroxylamine	[no description available]	medium	1	0	hydroxylamines	algal metabolite; bacterial xenobiotic metabolite; EC 1.1.3.13 (alcohol oxidase) inhibitor; EC 4.2.1.22 (cystathionine beta-synthase) inhibitor; EC 4.3.1.10 (serine-sulfate ammonia-lyase) inhibitor; nitric oxide donor; nucleophilic reagent
diethyl pyrocarbonate	[no description available]	medium	3	0	acyclic carboxylic anhydride
dimethyl pimelimidate	[no description available]	medium	1	0
dimethyl suberimidate	[no description available]	medium	1	0
dichloroacetic acid	[no description available]	medium	4	0	monocarboxylic acid; organochlorine compound	astringent; marine metabolite
acetylcysteine	[no description available]	medium	2	0	acetylcysteine; L-cysteine derivative; N-acetyl-L-amino acid	antidote to paracetamol poisoning; antiinfective agent; antioxidant; antiviral drug; ferroptosis inhibitor; geroprotector; human metabolite; mucolytic; radical scavenger; vulnerary
pentachlorophenol	[no description available]	medium	4	0	aromatic fungicide; chlorophenol; organochlorine pesticide; pentachlorobenzenes	human xenobiotic metabolite
2,4,5-trichlorophenoxyacetic acid	[no description available]	medium	1	0	chlorophenoxyacetic acid; trichlorobenzene	defoliant; phenoxy herbicide; synthetic auxin
2,4,5-trichlorophenol	[no description available]	medium	1	0	trichlorophenol
3-methyladipic acid	[no description available]	medium	1	0	alpha,omega-dicarboxylic acid; dicarboxylic fatty acid	human urinary metabolite
beta-hydroxyisovaleric acid	[no description available]	medium	1	0	3-hydroxy monocarboxylic acid	human metabolite
3-methylglutaconic acid	[no description available]	medium	1	0	dicarboxylic acid
tretinoin	[no description available]	medium	1	0	retinoic acid; vitamin A	anti-inflammatory agent; antineoplastic agent; antioxidant; AP-1 antagonist; human metabolite; keratolytic drug; retinoic acid receptor agonist; retinoid X receptor agonist; signalling molecule
ethyl 2-(5-(4-chlorophenyl)pentyl)oxiran-2-carboxylate	[no description available]	medium	1	0
fluorescamine	[no description available]	medium	2	0
acetylene	[no description available]	medium	2	0	alkyne; gas molecular entity; terminal acetylenic compound
4,5-dioxovaleric acid	[no description available]	medium	1	0	dioxo monocarboxylic acid
acetoacetyl coa	[no description available]	medium	1	0	3-oxo-fatty acyl-CoA	Escherichia coli metabolite; mouse metabolite
4-hydroxymercuribenzoate	[no description available]	medium	2	0
azides	[no description available]	medium	4	0	pseudohalide anion	mitochondrial respiratory-chain inhibitor
dithionitrobenzoic acid	[no description available]	medium	4	0	nitrobenzoic acid; organic disulfide	indicator
dyrene	[no description available]	medium	1	0	monochlorobenzenes; organochlorine pesticide; secondary amino compound; triazines	antifungal agrochemical
methylprednisolone hemisuccinate	[no description available]	medium	1	0	corticosteroid hormone; hemisuccinate
phosphoric acid, trisodium salt	[no description available]	medium	2	0	sodium phosphate
phenoxarsine oxide	[no description available]	medium	1	0
camphor, (+-)-isomer	[no description available]	medium	1	0	bornane monoterpenoid; cyclic monoterpene ketone	plant metabolite
vinyl chloride	[no description available]	medium	1	0	chloroethenes; gas molecular entity; monohaloethene	carcinogenic agent
n-acetylglutamic acid	[no description available]	medium	2	0	N-acetyl-L-amino acid; N-acyl-L-glutamic acid	human metabolite; Saccharomyces cerevisiae metabolite
loliolide	[no description available]	medium	1	0	benzofurans	metabolite
galactitol	[no description available]	medium	2	0	hexitol	Escherichia coli metabolite; human metabolite; metabolite; mouse metabolite
hexacyanoferrate iii	[no description available]	medium	6	0
duroquinol	[no description available]	medium	6	0	hydroquinones; methylbenzene	bacterial xenobiotic metabolite; volatile oil component
triphenylmethylphosphonium	[no description available]	medium	1	0
3-oxoadipic acid	[no description available]	medium	3	0	dicarboxylic fatty acid; oxo dicarboxylic acid	bacterial xenobiotic metabolite; human metabolite
carboxyatractyloside	[no description available]	medium	10	0
cycloheximide	[no description available]	medium	3	0	antibiotic fungicide; cyclic ketone; dicarboximide; piperidine antibiotic; piperidones; secondary alcohol	anticoronaviral agent; bacterial metabolite; ferroptosis inhibitor; neuroprotective agent; protein synthesis inhibitor
lanthanum	[no description available]	medium	1	0	f-block element atom; lanthanoid atom; scandium group element atom
azacitidine	[no description available]	medium	1	0	N-glycosyl-1,3,5-triazine; nucleoside analogue	antineoplastic agent
daunorubicin	[no description available]	medium	2	0	aminoglycoside antibiotic; anthracycline; p-quinones; tetracenequinones	antineoplastic agent; bacterial metabolite
tromethamine	[no description available]	medium	1	0	primary amino compound; triol	buffer
fungitetraose	[no description available]	medium	1	0	oligosaccharide
etomoxir	[no description available]	medium	1	0	aromatic ether
triphenyltetrazolium	[no description available]	medium	1	0	organic cation
nafronyl	[no description available]	medium	1	0	naphthalenes
phosphonoacetic acid	[no description available]	medium	7	0	monocarboxylic acid; phosphonic acids	antiviral agent; EC 2.7.7.7 (DNA-directed DNA polymerase) inhibitor
2,2,5,7,8-pentamethylchroman	[no description available]	medium	1	0
glycylglycine	[no description available]	medium	1	0	dipeptide zwitterion; dipeptide	human metabolite
carbamyl phosphate	[no description available]	medium	8	0	acyl monophosphate; one-carbon compound	Escherichia coli metabolite; mouse metabolite
acrylonitrile	[no description available]	medium	2	0	aliphatic nitrile; volatile organic compound	antifungal agent; carcinogenic agent; fungal metabolite; mutagen; polar aprotic solvent
succinoglycan	[no description available]	medium	2	0
levodopa	[no description available]	medium	1	0	amino acid zwitterion; dopa; L-tyrosine derivative; non-proteinogenic L-alpha-amino acid	allelochemical; antidyskinesia agent; antiparkinson drug; dopaminergic agent; hapten; human metabolite; mouse metabolite; neurotoxin; plant growth retardant; plant metabolite; prodrug
2,3-dimethoxy-5-methyl-6-decyl-1,4-benzoquinone	[no description available]	medium	1	0	1,4-benzoquinones	cofactor
octyl glucoside	[no description available]	medium	1	0	beta-D-glucoside	plant metabolite
ferrous citrate	[no description available]	medium	1	0
2,3-diphosphoglycerate	[no description available]	medium	2	0	bisphosphoglyceric acid; tetronic acid derivative	human metabolite
rhein	[no description available]	medium	3	0	dihydroxyanthraquinone
prostaglandins b	[no description available]	medium	1	0
chenodeoxycholic acid	[no description available]	medium	1	0	bile acid; C24-steroid; dihydroxy-5beta-cholanic acid	human metabolite; mouse metabolite
lithocholic acid	[no description available]	medium	1	0	bile acid; C24-steroid; monohydroxy-5beta-cholanic acid	geroprotector; human metabolite; mouse metabolite
cholic acid	[no description available]	medium	3	0	12alpha-hydroxy steroid; 3alpha-hydroxy steroid; 7alpha-hydroxy steroid; bile acid; C24-steroid; trihydroxy-5beta-cholanic acid	human metabolite; mouse metabolite
deferoxamine	[no description available]	medium	4	0	acyclic desferrioxamine	bacterial metabolite; ferroptosis inhibitor; iron chelator; siderophore
deferiprone	[no description available]	medium	1	0	4-pyridones	iron chelator; protective agent
peroxyformic acid	[no description available]	medium	1	0
4-vinylpyridine	[no description available]	medium	1	0
methylmethacrylate	[no description available]	medium	1	0	enoate ester; methyl ester	allergen; polymerisation monomer
metamitron	[no description available]	medium	1	0	1,2,4-triazines	environmental contaminant; herbicide; xenobiotic
zinc chloride	[no description available]	medium	1	0	inorganic chloride; zinc molecular entity	astringent; disinfectant; EC 5.3.3.5 (cholestenol Delta-isomerase) inhibitor; Lewis acid
cadmium chloride	[no description available]	medium	1	0	cadmium coordination entity
metallothionein	[no description available]	medium	1	0
potassium nitrate	[no description available]	medium	3	0	inorganic nitrate salt; potassium salt	fertilizer
3-hydroxypicolinic acid	[no description available]	medium	1	0	monocarboxylic acid; monohydroxypyridine	MALDI matrix material
norfluoxetine	[no description available]	medium	1	0	(trifluoromethyl)benzenes
lipid a	[no description available]	medium	2	0	dodecanoate ester; lipid A; tetradecanoate ester	Escherichia coli metabolite
enoximone	[no description available]	medium	1	0	aromatic ketone
disulfiram	[no description available]	medium	1	0	organic disulfide; organosulfur acaricide	angiogenesis inhibitor; antineoplastic agent; apoptosis inducer; EC 1.2.1.3 [aldehyde dehydrogenase (NAD(+))] inhibitor; EC 3.1.1.1 (carboxylesterase) inhibitor; EC 3.1.1.8 (cholinesterase) inhibitor; EC 5.99.1.2 (DNA topoisomerase) inhibitor; ferroptosis inducer; fungicide; NF-kappaB inhibitor
ethyl methanesulfonate	[no description available]	medium	2	0	methanesulfonate ester	alkylating agent; antineoplastic agent; carcinogenic agent; genotoxin; mutagen; teratogenic agent
equisetin	[no description available]	medium	1	0	enol; octahydronaphthalenes; primary alcohol; tetramic acids	antibacterial agent; fungal metabolite; HIV-1 integrase inhibitor; quorum sensing inhibitor
calmidazolium	[no description available]	medium	1	0	imidazolium ion	apoptosis inducer; calmodulin antagonist
18-hydroxycorticosterone	[no description available]	medium	1	0	11beta-hydroxy steroid; 18-hydroxy steroid; 20-oxo steroid; 21-hydroxy steroid; 3-oxo steroid; primary alpha-hydroxy ketone	human metabolite; mouse metabolite
sodium perchlorate	[no description available]	medium	1	0	inorganic sodium salt
mannoheptulose	[no description available]	medium	1	0	D-manno-heptulose
2-xylene	[no description available]	medium	3	0	xylene
sodium azide	[no description available]	medium	3	0	inorganic sodium salt	antibacterial agent; explosive; mitochondrial respiratory-chain inhibitor; mutagen
5,5-dimethyl-1-pyrroline-1-oxide	[no description available]	medium	3	0	1-pyrroline nitrones	neuroprotective agent; spin trapping reagent
cyclic-2,3-diphosphoglycerate	[no description available]	medium	1	0	bisphosphoglyceric acid
eledoisin	[no description available]	medium	1	0	peptide
neurotensin	[no description available]	medium	1	0	peptide hormone	human metabolite; mitogen; neurotransmitter; vulnerary
butylhydroxybutylnitrosamine	[no description available]	medium	1	0	nitrosamine; primary alcohol	carcinogenic agent
aminoglutethimide phosphate	[no description available]	medium	1	0
pregnenolone	[no description available]	medium	2	0	20-oxo steroid; 3beta-hydroxy-Delta(5)-steroid; C21-steroid	human metabolite; mouse metabolite
cosyntropin	[no description available]	medium	1	0
2',7'-bis-(2-carboxyethyl)-5(6)-carboxyfluorescein acetoxymethyl ester	[no description available]	medium	1	0
acteoside	[no description available]	medium	1	0	catechols; cinnamate ester; disaccharide derivative; glycoside; polyphenol	anti-inflammatory agent; antibacterial agent; antileishmanial agent; neuroprotective agent; plant metabolite
sodium bisulfite	[no description available]	medium	1	0	inorganic sodium salt; sulfite salt	allergen; food antioxidant; food colour retention agent; mutagen; reducing agent
benzyl viologen	[no description available]	medium	1	0	bipyridines
p(1),p(5)-di(adenosine-5'-)pentaphosphate	[no description available]	medium	1	0	organophosphate oxoanion
alpha-chymotrypsin	[no description available]	medium	1	0
phenylisothiocyanate	[no description available]	medium	1	0	isothiocyanate	allergen; reagent
azathioprine	[no description available]	medium	2	1	aryl sulfide; C-nitro compound; imidazoles; thiopurine	antimetabolite; antineoplastic agent; carcinogenic agent; DNA synthesis inhibitor; hepatotoxic agent; immunosuppressive agent; prodrug
sepharose	[no description available]	medium	2	0
1-glyceryloctyl ether	[no description available]	medium	1	0
triphenyltin	[no description available]	medium	1	0
phenoxybenzamine	[no description available]	medium	1	0	aromatic amine
timolol	[no description available]	medium	1	0	timolol	anti-arrhythmia drug; antiglaucoma drug; antihypertensive agent; beta-adrenergic antagonist
1-methyl-4-phenylpyridinium	[no description available]	medium	6	0	pyridinium ion	apoptosis inducer; herbicide; human xenobiotic metabolite; neurotoxin
nigericin	[no description available]	medium	3	0	polycyclic ether	antibacterial agent; antimicrobial agent; bacterial metabolite; potassium ionophore
piperazine-n,n'-bis(2-ethanesulfonic acid)	[no description available]	medium	1	0	PIPES
lipofectamine	[no description available]	medium	1	0
calcium sulfate	[no description available]	medium	1	0	calcium salt; inorganic calcium salt
lactoferrin	[no description available]	medium	1	0
arsenazo iii	[no description available]	medium	1	0
benzene 1,2,3-tricarboxylic acid	[no description available]	medium	1	0
mifepristone	[no description available]	medium	1	0	3-oxo-Delta(4) steroid; acetylenic compound; tertiary amino compound	abortifacient; contraceptive drug; hormone antagonist; synthetic oral contraceptive
sodium cyanide	[no description available]	medium	3	0	cyanide salt; one-carbon compound; sodium salt	EC 1.15.1.1 (superoxide dismutase) inhibitor
befol	[no description available]	medium	1	0
glutamic acid dimethyl ester	[no description available]	medium	1	0	glutamic acid derivative
phenylacetic acid	[no description available]	medium	2	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
styrene	[no description available]	medium	2	0	styrenes; vinylarene; volatile organic compound	mouse metabolite; mutagen; plant metabolite
styrene oxide	[no description available]	medium	1	0	epoxide	human xenobiotic metabolite
ribose-5-phosphate	[no description available]	medium	1	0	D-ribose 5-phosphate
demethylmenaquinone	[no description available]	medium	1	0	2-demethylmenaquinone
mtt formazan	[no description available]	medium	1	0
formazans	[no description available]	medium	3	0
lactaldehyde	[no description available]	medium	1	0	hydroxyaldehyde; propanals	mouse metabolite
pyruvaldehyde	[no description available]	medium	2	0	2-oxo aldehyde; propanals	Escherichia coli metabolite; human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite
paromomycin	[no description available]	medium	1	0	amino cyclitol glycoside; aminoglycoside antibiotic	anthelminthic drug; antibacterial drug; antiparasitic agent; antiprotozoal drug
isoprene	[no description available]	medium	1	0	alkadiene; hemiterpene; volatile organic compound	plant metabolite
thiobarbituric acid	[no description available]	medium	1	0	barbiturates	allergen; reagent
diethylnitrosamine	[no description available]	medium	1	0	nitrosamine	carcinogenic agent; hepatotoxic agent; mutagen
hydroxyacetylaminofluorene	[no description available]	medium	1	0	2-acetamidofluorenes
2-nitrosofluorene	[no description available]	medium	1	0
propyl gallate	[no description available]	medium	1	0	trihydroxybenzoic acid
dihydropyridines	[no description available]	medium	1	0
ios 11212	[no description available]	medium	1	0
glutapyrone	[no description available]	medium	1	0
mkt 077	[no description available]	medium	1	0
pyrrolidine	[no description available]	medium	2	0	azacycloalkane; pyrrolidines; saturated organic heteromonocyclic parent
piperidine	[no description available]	medium	2	0	azacycloalkane; piperidines; saturated organic heteromonocyclic parent; secondary amine	base; catalyst; human metabolite; non-polar solvent; plant metabolite; protic solvent; reagent
thiodiacetic acid	[no description available]	medium	1	0	dicarboxylic acid
ifosfamide	[no description available]	medium	1	0	ifosfamides	alkylating agent; antineoplastic agent; environmental contaminant; immunosuppressive agent; xenobiotic
phosphoserine	[no description available]	medium	1	0	non-proteinogenic alpha-amino acid; O-phosphoamino acid; serine derivative	human metabolite
2-keto-4-methylvalerate	[no description available]	medium	2	0	2-oxo monocarboxylic acid; branched-chain keto acid	algal metabolite; human metabolite
mesoxalic acid	[no description available]	medium	1	0	oxo dicarboxylic acid
2-amino-5-phosphonovalerate	[no description available]	medium	1	0	non-proteinogenic alpha-amino acid	NMDA receptor antagonist
isopentenyladenosine	[no description available]	medium	1	0	N-ribosyl-N(6)-isopentenyladenine; nucleoside analogue	antineoplastic agent; plant growth regulator; plant metabolite
2-methylthio-n-6-isopentenyladenosine	[no description available]	medium	1	0	nucleoside analogue
5,6,7,8-tetrahydromethanopterin	[no description available]	medium	1	0	tetrahydromethanopterin
5-doxylstearate	[no description available]	medium	1	0	aminoxyls
fenoldopam	[no description available]	medium	2	0	benzazepine	alpha-adrenergic agonist; antihypertensive agent; dopamine agonist; dopaminergic antagonist; vasodilator agent
glycochenodeoxycholic acid	[no description available]	medium	1	0	bile acid glycine conjugate	human metabolite
tyrphostin a9	[no description available]	medium	2	0	alkylbenzene	geroprotector
teriflunomide	[no description available]	medium	1	0	(trifluoromethyl)benzenes; aromatic amide; enamide; enol; nitrile; secondary carboxamide	drug metabolite; EC 1.3.98.1 [dihydroorotate oxidase (fumarate)] inhibitor; hepatotoxic agent; non-steroidal anti-inflammatory drug; tyrosine kinase inhibitor
brequinar	[no description available]	medium	1	0	biphenyls; monocarboxylic acid; monofluorobenzenes; quinolinemonocarboxylic acid	anticoronaviral agent; antimetabolite; antineoplastic agent; antiviral agent; EC 1.3.5.2 [dihydroorotate dehydrogenase (quinone)] inhibitor; immunosuppressive agent; pyrimidine synthesis inhibitor
2-cyano-3-cyclopropyl-3-hydroxy-n-(3'-methyl-4'-(trifluoromethyl)phenyl)propenamide	[no description available]	medium	1	0
beryllium	[no description available]	medium	1	0	alkaline earth metal atom; elemental beryllium; metal allergen	adjuvant; carcinogenic agent; epitope
1,2-dihydroxybenzene-3,5-disulfonic acid disodium salt	[no description available]	medium	2	0	organic molecular entity
phenyl-n-tert-butylnitrone	[no description available]	medium	1	0
nitroblue tetrazolium	[no description available]	medium	2	0	organic cation
oxamic acid	[no description available]	medium	2	0	dicarboxylic acid monoamide	Escherichia coli metabolite
3-methoxy-2-(2-styrylphenyl)propenic acid methyl ester	[no description available]	medium	1	0
ukrain	[no description available]	medium	1	0
methylnitronitrosoguanidine	[no description available]	medium	1	0	nitroso compound	alkylating agent
tylosin	[no description available]	medium	2	0
chloroacetaldehyde	[no description available]	medium	1	0	organochlorine compound
p-methoxy-n-methylphenethylamine	[no description available]	medium	1	0	aromatic ether; secondary amino compound	metabolite
phosphoribosyl pyrophosphate	[no description available]	medium	1	0	5-O-phosphono-D-ribofuranosyl diphosphate	Escherichia coli metabolite; human metabolite; mouse metabolite; plant metabolite
aristeromycin	[no description available]	medium	1	0
phenethylamine	[no description available]	medium	1	0	alkaloid; aralkylamine; phenylethylamine	Escherichia coli metabolite; human metabolite; mouse metabolite
2-methylcitric acid	[no description available]	medium	1	0	tricarboxylic acid
e 64	[no description available]	medium	1	0	dicarboxylic acid monoamide; epoxy monocarboxylic acid; guanidines; L-leucine derivative; zwitterion	antimalarial; antiparasitic agent; protease inhibitor
tempo	[no description available]	medium	2	0	aminoxyls; piperidines	catalyst; ferroptosis inhibitor; radical scavenger
acridone	[no description available]	medium	1	0	acridines; cyclic ketone
tetraphenylphosphonium	[no description available]	medium	3	0	heteroorganic entity; phosphorus molecular entity; polyatomic cation
menaquinol 6	[no description available]	medium	1	0	menaquinol	electron donor
pyrazines	[no description available]	medium	1	0	diazine; pyrazines	Daphnia magna metabolite
2-methyl-6-(4-methoxyphenyl)-3,7-dihydroimidazo(1,2-alpha)pyrazin-3-one	[no description available]	medium	1	0
11-deoxyprostaglandin e1	[no description available]	medium	1	0	prostanoid
alprostadil	[no description available]	medium	1	0	prostaglandins E	anticoagulant; human metabolite; platelet aggregation inhibitor; vasodilator agent
17-phenyltrinorprostaglandin e2	[no description available]	medium	1	0	alicyclic ketone; beta-hydroxy ketone; hydroxy monocarboxylic acid; olefinic compound; oxo monocarboxylic acid; prostanoid; secondary alcohol	human metabolite; prostaglandin receptor agonist
fura-2	[no description available]	medium	1	0
fura-2-am	[no description available]	medium	1	0
nsc-126771	[no description available]	medium	1	0
atovaquone	[no description available]	medium	1	0	hydroxy-1,2-naphthoquinone
2,2'-((3,3'-dimethoxy(1,1'-biphenyl)-4,4'-diyl)diimino)bis-benzoic acid	[no description available]	medium	1	0
plumbagin	[no description available]	medium	1	0	hydroxy-1,4-naphthoquinone; phenols	anticoagulant; antineoplastic agent; immunological adjuvant; metabolite
vancomycin	[no description available]	medium	1	0	glycopeptide	antibacterial drug; antimicrobial agent; bacterial metabolite
allyl alcohol	[no description available]	medium	1	0	primary allylic alcohol; propenol	antibacterial agent; fungicide; herbicide; insecticide; plant metabolite
salicylamide	[no description available]	medium	1	0	phenols; salicylamides	antirheumatic drug; non-narcotic analgesic
mitotracker green fm	[no description available]	medium	1	0
5-fluoroorotic acid	[no description available]	medium	1	0
herbimycin	[no description available]	medium	1	0	1,4-benzoquinones; lactam; macrocycle	antimicrobial agent; apoptosis inducer; herbicide; Hsp90 inhibitor; tyrosine kinase inhibitor
daidzein	[no description available]	medium	1	0	7-hydroxyisoflavones	antineoplastic agent; EC 2.7.7.7 (DNA-directed DNA polymerase) inhibitor; EC 3.2.1.20 (alpha-glucosidase) inhibitor; phytoestrogen; plant metabolite
tosylphenylalanyl chloromethyl ketone	[no description available]	medium	1	0	alpha-chloroketone; sulfonamide	alkylating agent; serine proteinase inhibitor
pyrrolidine dithiocarbamate	[no description available]	medium	1	0	dithiocarbamic acids; pyrrolidines	anticonvulsant; antineoplastic agent; geroprotector; neuroprotective agent; NF-kappaB inhibitor; radical scavenger
bn 50739	[no description available]	medium	1	0
psyllium	[no description available]	medium	1	0	very long-chain fatty acid
octopine	[no description available]	medium	1	0	amino acid opine; amino dicarboxylic acid; D-alpha-amino acid zwitterion; D-arginine derivative; guanidines; secondary amino compound	animal metabolite; xenobiotic metabolite
batimastat	[no description available]	medium	1	0	hydroxamic acid; L-phenylalanine derivative; organic sulfide; secondary carboxamide; thiophenes; triamide	angiogenesis inhibitor; antineoplastic agent; matrix metalloproteinase inhibitor
guanidinopropionic acid	[no description available]	medium	1	0	guanidines; zwitterion	hypoglycemic agent
1-methyl-4-phenyl-1,2,3,6-tetrahydropyridine	[no description available]	medium	3	0	methylpyridines; phenylpyridine; tetrahydropyridine	neurotoxin
totarol	[no description available]	medium	1	0	diterpenoid	metabolite
strombine	[no description available]	medium	1	0	D-alanine derivative
benzyloxycarbonylvalyl-alanyl-aspartyl fluoromethyl ketone	[no description available]	medium	1	0
magnesium citrate	[no description available]	medium	2	0	magnesium salt	laxative
tacrolimus	[no description available]	medium	1	0	macrolide lactam	bacterial metabolite; immunosuppressive agent
2,5-dihydroxybenzoic acid	[no description available]	medium	1	0	dihydroxybenzoic acid	EC 1.13.11.33 (arachidonate 15-lipoxygenase) inhibitor; fungal metabolite; human metabolite; MALDI matrix material; mouse metabolite
angiotensin i	[no description available]	medium	1	0	angiotensin; peptide zwitterion	human metabolite; neurotransmitter agent
carvedilol	[no description available]	medium	1	0	carbazoles; secondary alcohol; secondary amino compound	alpha-adrenergic antagonist; antihypertensive agent; beta-adrenergic antagonist; cardiovascular drug; vasodilator agent
aminooxyacetic acid	[no description available]	medium	4	0	amino acid; hydroxylamines; monocarboxylic acid	anticonvulsant; EC 2.6.1.19 (4-aminobutyrate--2-oxoglutarate transaminase) inhibitor; EC 4.2.1.22 (cystathionine beta-synthase) inhibitor; nootropic agent
betulin	[no description available]	medium	1	0	diol; pentacyclic triterpenoid	analgesic; anti-inflammatory agent; antineoplastic agent; antiviral agent; metabolite
glutaral	[no description available]	medium	1	0	dialdehyde	cross-linking reagent; disinfectant; fixative
potassium cyanate	[no description available]	medium	1	0	cyanate salt; one-carbon compound	herbicide
methylphenazonium methosulfate	[no description available]	medium	3	0	azaheterocycle sulfate salt; phenazines
tocopherylquinone	[no description available]	medium	2	0
trifluralin	[no description available]	medium	1	0	(trifluoromethyl)benzenes; C-nitro compound; substituted aniline	agrochemical; environmental contaminant; herbicide; xenobiotic
penicillin n	[no description available]	medium	2	0	penicillin
deacetoxycephalosporin c	[no description available]	medium	1	0	cephalosporin
potassium acetate	[no description available]	medium	1	0	potassium salt	food acidity regulator
triiodothyronine	[no description available]	medium	3	0	2-halophenol; amino acid zwitterion; iodophenol; iodothyronine	human metabolite; mouse metabolite; thyroid hormone
geraniol	[no description available]	medium	1	0	3,7-dimethylocta-2,6-dien-1-ol; monoterpenoid; primary alcohol	allergen; fragrance; plant metabolite; volatile oil component
serpentine (alkaloid)	[no description available]	medium	1	0	carboxylic ester; iminium betaine; indole alkaloid; quinolizines; zwitterion
catharanthine	[no description available]	medium	1	0	alkaloid ester; bridged compound; methyl ester; monoterpenoid indole alkaloid; organic heteropentacyclic compound; tertiary amino compound
raubasine	[no description available]	medium	1	0	yohimban alkaloid
tryptamine	[no description available]	medium	1	0	aminoalkylindole; aralkylamino compound; indole alkaloid; tryptamines	human metabolite; mouse metabolite; plant metabolite
yohimbine	[no description available]	medium	1	0	methyl 17-hydroxy-20xi-yohimban-16-carboxylate	alpha-adrenergic antagonist; dopamine receptor D2 antagonist; serotonergic antagonist
tetramethylammonium	[no description available]	medium	1	0	quaternary ammonium ion
diphenyleneiodonium	[no description available]	medium	1	0	organic cation
pirenzepine	[no description available]	medium	1	0	pyridobenzodiazepine	anti-ulcer drug; antispasmodic drug; muscarinic antagonist
5-methyl-2-((2-nitrophenyl)amino)-3-thiophenecarbonitrile	[no description available]	medium	1	0
octa-2,4,6-trienoic acid	[no description available]	medium	1	0
norleucine	[no description available]	medium	1	0	2-aminohexanoic acid; L-alpha-amino acid zwitterion; non-proteinogenic L-alpha-amino acid
tin	[no description available]	medium	1	0	carbon group element atom; elemental tin; metal atom	micronutrient
alpha-cyclodextrin	[no description available]	medium	1	0	cyclodextrin
gamma-cyclodextrin	[no description available]	medium	1	0	cyclodextrin
tricarballylic acid	[no description available]	medium	1	0	tricarboxylic acid
nonactin	[no description available]	medium	1	0
deoxyguanosine	[no description available]	medium	2	0	purine 2'-deoxyribonucleoside; purines 2'-deoxy-D-ribonucleoside	Escherichia coli metabolite; human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite
8-hydroxy-2'-deoxyguanosine	[no description available]	medium	1	0	guanosines	biomarker
thiamine pyrophosphate	[no description available]	medium	2	0	organic chloride salt; vitamin B1
nitroarginine	[no description available]	medium	1	0	guanidines; L-arginine derivative; N-nitro compound; non-proteinogenic L-alpha-amino acid
s-ethyl glutathione	[no description available]	medium	1	0	oligopeptide
s-nitroso-n-acetylpenicillamine	[no description available]	medium	1	0	nitroso compound; nitrosothio compound	nitric oxide donor; vasodilator agent
2,2'-(hydroxynitrosohydrazono)bis-ethanamine	[no description available]	medium	1	0
dehydroascorbic acid	[no description available]	medium	1	0	dehydroascorbic acid; vitamin C	coenzyme; mouse metabolite
ethacizine	[no description available]	medium	1	0	phenothiazines
quinidine bisulfate	[no description available]	medium	1	0
oxophenylarsine	[no description available]	medium	1	0	arsine oxides	antineoplastic agent; apoptosis inducer; EC 3.1.3.48 (protein-tyrosine-phosphatase) inhibitor
mannopine	[no description available]	medium	1	0	amino acid opine; dicarboxylic acid monoamide; hexitol derivative; L-glutamine derivative; non-proteinogenic L-alpha-amino acid; secondary amino compound	plant metabolite
guanosine	[no description available]	medium	1	0	guanosines; purines D-ribonucleoside	fundamental metabolite
harmaline	[no description available]	medium	1	0	harmala alkaloid	oneirogen
emeriamine	[no description available]	medium	1	0
2,5-dichloro-4-bromophenol	[no description available]	medium	1	0
filipin	[no description available]	medium	1	0
7-dihydrobenfluron	[no description available]	medium	1	0
benfluron n-oxide	[no description available]	medium	1	0
vufb 13468	[no description available]	medium	1	0
sodium borohydride	[no description available]	medium	1	0	inorganic sodium salt; metal tetrahydridoborate
acetic anhydride	[no description available]	medium	1	0	acyclic carboxylic anhydride	metabolite; reagent
phenylglyoxal	[no description available]	medium	1	0	phenylacetaldehydes
foscarnet	[no description available]	medium	1	0	carboxylic acid; one-carbon compound; phosphonic acids	antiviral drug; geroprotector; HIV-1 reverse transcriptase inhibitor; sodium-dependent Pi-transporter inhibitor
3-hydroxybenzeneacetic acid	[no description available]	medium	1	0	monocarboxylic acid; phenols	human xenobiotic metabolite
diethylamine	[no description available]	medium	1	0	secondary aliphatic amine
2-furoic acid	[no description available]	medium	1	0	furoic acid	bacterial xenobiotic metabolite; human xenobiotic metabolite; inhibitor; plant metabolite; Saccharomyces cerevisiae metabolite
n-methylisoquinolinium	[no description available]	medium	1	0
tetraphenylborate	[no description available]	medium	2	0
nitrilotriacetic acid	[no description available]	medium	1	0	NTA; tricarboxylic acid	carcinogenic agent; nephrotoxic agent
pentetic acid	[no description available]	medium	1	0	pentacarboxylic acid	copper chelator
phytic acid	[no description available]	medium	1	0	inositol phosphate
desethylamiodarone	[no description available]	medium	1	0	aromatic ketone
2-phenylphenol	[no description available]	medium	1	0	hydroxybiphenyls	antifungal agrochemical; environmental food contaminant
kaempferol-3-o-galactoside	[no description available]	medium	1	0	beta-D-galactoside; glycosyloxyflavone; monosaccharide derivative; trihydroxyflavone	antifungal agent; plant metabolite
iridium	[no description available]	medium	1	0	cobalt group element atom; platinum group metal atom
osmium	[no description available]	medium	1	0	iron group element atom; platinum group metal atom
aminacrine	[no description available]	medium	1	0	aminoacridines; primary amino compound	acid-base indicator; antiinfective agent; antiseptic drug; fluorescent dye; MALDI matrix material; mutagen
agmatine	[no description available]	medium	1	0	guanidines; primary amino compound	Escherichia coli metabolite; mouse metabolite
imipenem, anhydrous	[no description available]	medium	2	0	beta-lactam antibiotic allergen; carbapenems; zwitterion	antibacterial drug
cilastatin	[no description available]	medium	1	0	carboxamide; L-cysteine derivative; non-proteinogenic L-alpha-amino acid; organic sulfide	EC 3.4.13.19 (membrane dipeptidase) inhibitor; environmental contaminant; protease inhibitor; xenobiotic
nitrosoguanidines	[no description available]	medium	1	0
2,4-dinitrophenylhydrazine	[no description available]	medium	1	0	C-nitro compound; phenylhydrazines	reagent
adrenochrome	[no description available]	medium	1	0	indoles
funiculosin (anthraquinone)	[no description available]	medium	2	0	trihydroxyanthraquinone
(20s)-20-hydroxycholesterol	[no description available]	medium	1	0	20-hydroxy steroid; 3beta-hydroxy-Delta(5)-steroid; oxysterol	human metabolite; mouse metabolite
alanopine	[no description available]	medium	1	0	amino acid opine; amino dicarboxylic acid
fructose 2,6-diphosphate	[no description available]	medium	1	0	D-fructofuranose 2,6-bisphosphate	human metabolite; mouse metabolite
phorbols	[no description available]	medium	1	0	diterpene; terpenoid fundamental parent
bis(1,2-bis(diphenylphosphino)ethane)gold(i)	[no description available]	medium	1	0
substance p	[no description available]	medium	1	0	peptide	neurokinin-1 receptor agonist; neurotransmitter; vasodilator agent
mesna	[no description available]	medium	1	0	organosulfonic acid
7-mercaptoheptanoylthreonine phosphate	[no description available]	medium	1	0	L-threonine derivative	coenzyme
formylmethanofuran	[no description available]	medium	1	0	pentacarboxylic acid
phosphothreonine	[no description available]	medium	1	0	L-threonine derivative; non-proteinogenic L-alpha-amino acid; O-phosphoamino acid	Escherichia coli metabolite
behenic acid	[no description available]	medium	1	0	long-chain fatty acid; straight-chain saturated fatty acid	plant metabolite
fe(iii)-edta	[no description available]	medium	1	0	iron coordination entity
uroporphyrinogen iii	[no description available]	medium	1	0	uroporphyrinogen	Escherichia coli metabolite; mouse metabolite
hexahydroubiquinone-4	[no description available]	medium	1	0
candicidin	[no description available]	medium	4	0	macrolide antibiotic; polyene antibiotic	antifungal drug; bacterial metabolite
trichloroacetic acid	[no description available]	medium	1	0	monocarboxylic acid; organochlorine compound	carcinogenic agent; metabolite; mouse metabolite
perfluorosuccinic acid	[no description available]	medium	1	0
n-formylmethionine leucyl-phenylalanine	[no description available]	medium	1	0	tripeptide
dihydro-dids	[no description available]	medium	1	0
niclosamide	[no description available]	medium	1	0	benzamides; C-nitro compound; monochlorobenzenes; salicylanilides; secondary carboxamide	anthelminthic drug; anticoronaviral agent; antiparasitic agent; apoptosis inducer; molluscicide; piscicide; STAT3 inhibitor
5-chloro-3-tert-butyl-2'-chloro-4'-nitrosalicylanilide	[no description available]	medium	1	0
tyramine	[no description available]	medium	1	0	monoamine molecular messenger; primary amino compound; tyramines	EC 3.1.1.8 (cholinesterase) inhibitor; Escherichia coli metabolite; human metabolite; mouse metabolite; neurotransmitter
alpha-ketobutyric acid	[no description available]	medium	1	0	2-oxo monocarboxylic acid; short-chain fatty acid
potassium dichromate	[no description available]	medium	1	0	potassium salt	allergen; oxidising agent; sensitiser
chromates	[no description available]	medium	1	0	chromium oxoanion; divalent inorganic anion	oxidising agent
spinasterol	[no description available]	medium	1	0	steroid
propentofylline	[no description available]	medium	1	0	oxopurine
theobromine	[no description available]	medium	1	0	dimethylxanthine	adenosine receptor antagonist; bronchodilator agent; food component; human blood serum metabolite; mouse metabolite; plant metabolite; vasodilator agent
plastoquinone	[no description available]	medium	1	0	plastoquinone
dimercaprol	[no description available]	medium	1	0	dithiol; primary alcohol	chelator
nandrolone decanoate	[no description available]	medium	1	0	steroid ester
chlorodiphenyl (54% chlorine)	[no description available]	medium	1	0
perfluidone	[no description available]	medium	1	0	sulfonamide
stearates	[no description available]	medium	1	0
5-iminodaunorubicin	[no description available]	medium	1	0
n-methylglucosamine	[no description available]	medium	1	0
hexetidine	[no description available]	medium	1	0	organic heteromonocyclic compound; organonitrogen heterocyclic compound
3-methylitaconate	[no description available]	medium	1	0
alpha-methylene glutarate	[no description available]	medium	1	0	dicarboxylic acid; dicarboxylic fatty acid
porphobilinogen	[no description available]	medium	1	0	aralkylamino compound; dicarboxylic acid; pyrroles	Escherichia coli metabolite; metabolite; mouse metabolite
diquat	[no description available]	medium	1	0	organic cation	defoliant; herbicide
octanoyl-coenzyme a	[no description available]	medium	1	0
protylonolide	[no description available]	medium	1	0	diol; enone; macrolide	metabolite
cerulenin	[no description available]	medium	1	0	epoxide; monocarboxylic acid amide	antifungal agent; antiinfective agent; antilipemic drug; antimetabolite; antimicrobial agent; fatty acid synthesis inhibitor
lasalocid	[no description available]	medium	1	0	beta-hydroxy ketone; monocarboxylic acid; monohydroxybenzoic acid; oxanes; oxolanes; polyether antibiotic; secondary alcohol; tertiary alcohol	bacterial metabolite; coccidiostat; ionophore
p-fluorophenylalanine	[no description available]	medium	1	0	fluoroamino acid; monofluorobenzenes; non-proteinogenic alpha-amino acid; phenylalanine derivative
ferlixit	[no description available]	medium	1	0	polymer
2-aminoisobutyric acid	[no description available]	medium	1	0	2,2-dialkylglycine zwitterion; 2,2-dialkylglycine
iomeglamic acid	[no description available]	medium	3	0	anilide
5-n-undecyl-6-hydroxy-4,7-dioxobenzothiazole	[no description available]	medium	1	0
alpha-tocopherol quinol	[no description available]	medium	1	0
rhodamine 6g	[no description available]	medium	1	0
3,3'-dipropyl-2,2'-thiadicarbocyanine	[no description available]	medium	1	0
maleimide	[no description available]	medium	1	0	dicarboximide; maleimides	EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor
benzobarbital	[no description available]	medium	1	0
pentamine	[no description available]	medium	1	0
papaverine	[no description available]	medium	1	0	benzylisoquinoline alkaloid; dimethoxybenzene; isoquinolines	antispasmodic drug; vasodilator agent
fusarium	[no description available]	medium	8	0
sabinene	[no description available]	medium	5	0	thujene	plant metabolite
trazodone hydrochloride	[no description available]	medium	18	0	hydrochloride	adrenergic antagonist; antidepressant; H1-receptor antagonist; sedative; serotonin uptake inhibitor
guaifenesin	[no description available]	medium	2	0	methoxybenzenes
nicosulfuron	[no description available]	medium	1	0	N-sulfonylurea; pyridines; pyrimidines	environmental contaminant; herbicide; xenobiotic
isomethyleugenol	[no description available]	medium	11	0	isomethyleugenol
humulene	[no description available]	medium	3	1	alpha-humulene
octachloronaphthalene	[no description available]	medium	1	0
eye	[no description available]	medium	2	0
fomesafen	[no description available]	medium	1	0	aromatic ether; C-nitro compound; monochlorobenzenes; N-sulfonylcarboxamide; organofluorine compound; phenols	agrochemical; EC 1.3.3.4 (protoporphyrinogen oxidase) inhibitor; herbicide
apnea	[no description available]	medium	1	0	purine nucleoside
cinidon-ethyl	[no description available]	medium	1	0	ethyl ester; isoindoles; monochlorobenzenes	herbicide
trolamine salicylate	[no description available]	medium	6	0
benzothiazide	[no description available]	medium	4	0	benzothiadiazine; sulfonamide	antihypertensive agent; diuretic
digitoxin	[no description available]	medium	1	0	cardenolide glycoside	EC 3.6.3.9 (Na(+)/K(+)-transporting ATPase) inhibitor
4-methoxyamphetamine	[no description available]	medium	2	0
ursolic acid	[no description available]	medium	2	0	hydroxy monocarboxylic acid; pentacyclic triterpenoid	geroprotector; plant metabolite
benphothiamine	[no description available]	low	0	0	aminopyrimidine; formamides; organic phosphate; thioester	antioxidant; immunological adjuvant; nutraceutical; protective agent; provitamin B1
berlition	[no description available]	low	0	0	dithiolanes; heterocyclic fatty acid; lipoic acid; thia fatty acid	cofactor; nutraceutical; prosthetic group
calcium citrate	[no description available]	low	0	0	organic calcium salt	flavouring agent; food additive; food preservative; nutraceutical
manganese chloride	[no description available]	low	0	0	hydrate; inorganic chloride; manganese coordination entity	MRI contrast agent; nutraceutical
aspartame	[no description available]	low	0	0	carboxylic acid; dipeptide zwitterion; dipeptide; methyl ester	apoptosis inhibitor; EC 3.1.3.1 (alkaline phosphatase) inhibitor; environmental contaminant; micronutrient; nutraceutical; sweetening agent; xenobiotic
7-oxodehydroepiandrosterone	[no description available]	low	0	0	17-oxo steroid; 3beta-hydroxy-Delta(5)-steroid; 7-oxo steroid; androstanoid	human blood serum metabolite; nutraceutical; prohormone
docosahexaenoate	[no description available]	low	0	0	docosahexaenoic acid; omega-3 fatty acid	algal metabolite; antineoplastic agent; Daphnia tenebrosa metabolite; human metabolite; mouse metabolite; nutraceutical
eicosapentaenoic acid	[no description available]	low	0	0	icosapentaenoic acid; omega-3 fatty acid	anticholesteremic drug; antidepressant; antineoplastic agent; Daphnia galeata metabolite; fungal metabolite; micronutrient; mouse metabolite; nutraceutical
n-acetylmethionine	[no description available]	low	0	0	L-methionine derivative; N-acetyl-L-amino acid; N-acetylmethionine	nutraceutical
pantethine	[no description available]	low	0	0	organic disulfide	coenzyme; nutraceutical
8,11,14-eicosatrienoic acid	[no description available]	low	0	0	fatty acid 20:3; long-chain fatty acid	fungal metabolite; human metabolite; nutraceutical
vitamin d 2	[no description available]	low	0	0	hydroxy seco-steroid; seco-ergostane; vitamin D	bone density conservation agent; nutraceutical; plant metabolite; rodenticide
alpha-linolenic acid	[no description available]	low	0	0	linolenic acid; omega-3 fatty acid	micronutrient; mouse metabolite; nutraceutical
calcifediol	[no description available]	low	0	0	D3 vitamins; diol; hydroxycalciol	bone density conservation agent; human metabolite; metabolite; mouse metabolite; nutraceutical
25-hydroxyvitamin d 2	[no description available]	low	0	0	hydroxycalciol; seco-ergostane; vitamin D	bone density conservation agent; human xenobiotic metabolite; nutraceutical
1,25-dihydroxyergocalciferol	[no description available]	low	0	0	hydroxycalciol; seco-ergostane; vitamin D	bone density conservation agent; human xenobiotic metabolite; nutraceutical
chromium tripicolinate	[no description available]	low	0	0	chromium coordination entity	anti-obesity agent; geroprotector; hypoglycemic agent; nutraceutical
5-methoxytryptamine	[no description available]	low	0	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
zingerone	[no description available]	low	0	0	methyl ketone; monomethoxybenzene; phenols	anti-inflammatory agent; antiemetic; antioxidant; flavouring agent; fragrance; plant metabolite; radiation protective agent
1,2,3,4,6-pentakis-O-galloyl-beta-D-glucose	[no description available]	low	0	0	gallate ester; galloyl beta-D-glucose	anti-inflammatory agent; antineoplastic agent; geroprotector; hepatoprotective agent; plant metabolite; radiation protective agent; radical scavenger
estramustine	[no description available]	low	0	0	17beta-hydroxy steroid; carbamate ester; organochlorine compound	alkylating agent; antineoplastic agent; radiation protective agent
tempace	[no description available]	low	0	0	aminoxyls; piperidinecarboxamide; secondary carboxamide	radiation protective agent; radical scavenger
ferrostatin-1	[no description available]	low	0	0	ethyl ester; primary arylamine; substituted aniline	antifungal agent; antioxidant; ferroptosis inhibitor; neuroprotective agent; radiation protective agent; radical scavenger
gamma-tocotrienol	[no description available]	low	0	0	tocotrienol; vitamin E	antineoplastic agent; antioxidant; apoptosis inducer; hepatoprotective agent; plant metabolite; radiation protective agent
tocotrienol, delta	[no description available]	low	0	0	tocotrienol; vitamin E	anti-inflammatory agent; antineoplastic agent; apoptosis inducer; bone density conservation agent; NF-kappaB inhibitor; plant metabolite; radiation protective agent; Saccharomyces cerevisiae metabolite
16,16-dimethylprostaglandin e2	[no description available]	low	0	0	cyclopentanones; monocarboxylic acid; prostanoid; secondary allylic alcohol	anti-ulcer drug; gastrointestinal drug; radiation protective agent
amlexanox	[no description available]	low	0	0	monocarboxylic acid; pyridochromene	anti-allergic agent; anti-ulcer drug; non-steroidal anti-inflammatory drug
lansoprazole	[no description available]	low	0	0	benzimidazoles; pyridines; sulfoxide	anti-ulcer drug; EC 3.6.3.10 (H(+)/K(+)-exchanging ATPase) inhibitor
nizatidine	[no description available]	low	0	0	1,3-thiazoles; C-nitro compound; carboxamidine; organic sulfide; tertiary amino compound	anti-ulcer drug; cholinergic drug; H2-receptor antagonist
pantoprazole	[no description available]	low	0	0	aromatic ether; benzimidazoles; organofluorine compound; pyridines; sulfoxide	anti-ulcer drug; EC 3.6.3.10 (H(+)/K(+)-exchanging ATPase) inhibitor; environmental contaminant; xenobiotic
rabeprazole	[no description available]	low	0	0	benzimidazoles; pyridines; sulfoxide	anti-ulcer drug; EC 3.6.3.10 (H(+)/K(+)-exchanging ATPase) inhibitor
tridihexethyl	[no description available]	low	0	0	quaternary ammonium ion; tertiary alcohol	anti-ulcer drug; antispasmodic drug; muscarinic antagonist
oxmetidine	[no description available]	low	0	0	benzodioxoles; imidazoles; pyrimidone	anti-ulcer drug; H2-receptor antagonist
azuletil	[no description available]	low	0	0	arenesulfonic acid; azulenes	anti-ulcer drug; thromboxane A2 antagonist
alpha-methylene gamma-butyrolactone	[no description available]	low	0	0	butan-4-olide	anti-ulcer drug; gastrointestinal drug
tiquizium bromide	[no description available]	low	0	0	organic bromide salt; quaternary ammonium salt	anti-ulcer drug; antispasmodic drug; muscarinic antagonist
ranitidine	[no description available]	low	0	0	C-nitro compound; furans; organic sulfide; tertiary amino compound	anti-ulcer drug; drug allergen; environmental contaminant; H2-receptor antagonist; xenobiotic
eupatilin	[no description available]	low	0	0	dihydroxyflavone; trimethoxyflavone	anti-inflammatory agent; anti-ulcer drug; antineoplastic agent; EC 1.13.11.34 (arachidonate 5-lipoxygenase) inhibitor; metabolite
plaunotol	[no description available]	low	0	0	diterpenoid; primary alcohol	anti-ulcer drug; antibacterial agent; antineoplastic agent; apoptosis inducer; nephroprotective agent; plant metabolite; vulnerary
sofalcone	[no description available]	low	0	0	aromatic ether; chalcones; monocarboxylic acid	anti-ulcer drug; antibacterial agent; gastrointestinal drug; plant metabolite
pibutidine hydrochloride	[no description available]	low	0	0	hydrochloride	anti-ulcer drug; H2-receptor antagonist
pibutidine	[no description available]	low	0	0	aromatic ether; cyclobutenones; olefinic compound; piperidines; primary amino compound; pyridines; secondary amino compound	anti-ulcer drug; H2-receptor antagonist
famotidine	[no description available]	low	0	0	1,3-thiazoles; guanidines; sulfonamide	anti-ulcer drug; H2-receptor antagonist; P450 inhibitor
s 1743	[no description available]	low	0	0	magnesium salt	anti-ulcer drug; EC 3.6.3.10 (H(+)/K(+)-exchanging ATPase) inhibitor
5,7-dihydroxy-2-methyl-8-(4-(3-hydroxy-1-methyl)-piperidinyl)-4h-1-benzopyran-4-one	[no description available]	low	0	0	alkaloid; chromones; hydroxypiperidine; resorcinols; tertiary amino compound	anti-inflammatory agent; anti-ulcer drug; anticholesteremic drug; antileishmanial agent; antineoplastic agent; EC 2.7.11.22 (cyclin-dependent kinase) inhibitor; fungal metabolite; plant metabolite
pantoprazole sodium	[no description available]	low	0	0	organic sodium salt	anti-ulcer drug; EC 3.6.3.10 (H(+)/K(+)-exchanging ATPase) inhibitor
octotropine methylbromide	[no description available]	low	0	0	organic bromide salt; quaternary ammonium salt	anti-ulcer drug; muscarinic antagonist; parasympatholytic
azuletil sodium	[no description available]	low	0	0	organic sodium salt; organosulfonate salt	anti-ulcer drug; thromboxane A2 antagonist
tungsten	[no description available]	low	0	0	chromium group element atom	micronutrient
vanadium	[no description available]	low	0	0	elemental vanadium; vanadium group element atom	micronutrient
boron	[no description available]	low	0	0	boron group element atom; metalloid atom; nonmetal atom	micronutrient
selenium	[no description available]	low	0	0	chalcogen; nonmetal atom	micronutrient
betaine hydrochloride	[no description available]	low	0	0	quaternary ammonium ion	fundamental metabolite
cysteine	[no description available]	low	0	0	alpha-amino acid; amino acid zwitterion; polar amino acid; sulfur-containing amino acid	fundamental metabolite
glycolaldehyde	[no description available]	low	0	0	glycolaldehydes	fundamental metabolite; human metabolite
phenylpyruvic acid	[no description available]	low	0	0	2-oxo monocarboxylic acid	chromogenic compound; EC 6.4.1.1 (pyruvate carboxylase) inhibitor; fundamental metabolite
nadp	[no description available]	low	0	0	NADP	fundamental metabolite
uridine diphosphate glucose	[no description available]	low	0	0	UDP-D-glucose	fundamental metabolite
thymidine monophosphate	[no description available]	low	0	0	thymidine 5'-monophosphate	fundamental metabolite
2'-deoxy-5'-adenosine monophosphate	[no description available]	low	0	0	2'-deoxyadenosine 5'-phosphate; purine 2'-deoxyribonucleoside 5'-monophosphate	fundamental metabolite
pseudouridine	[no description available]	low	0	0	pseudouridines	fundamental metabolite
uridine diphosphate xylose	[no description available]	low	0	0	UDP-sugar	fundamental metabolite
s-adenosylhomocysteine	[no description available]	low	0	0	adenosines; amino acid zwitterion; homocysteine derivative; homocysteines; organic sulfide	cofactor; EC 2.1.1.72 [site-specific DNA-methyltransferase (adenine-specific)] inhibitor; EC 2.1.1.79 (cyclopropane-fatty-acyl-phospholipid synthase) inhibitor; epitope; fundamental metabolite
aconitic acid	[no description available]	low	0	0	aconitic acid	fundamental metabolite
mannose 1-phosphate	[no description available]	low	0	0	mannose phosphate	fundamental metabolite; human metabolite
adenosine triphosphate	[no description available]	low	0	0	nucleoside 5'-triphoshate(4-)	cofactor; fundamental metabolite; human metabolite
adenosine diphosphate	[no description available]	low	0	0	nucleoside 5'-diphosphate(3-)	fundamental metabolite; human metabolite
adenosine monophosphate	[no description available]	low	0	0	nucleoside 5'-monophosphate(2-)	cofactor; fundamental metabolite; human metabolite
tridecanedioic acid	[no description available]	low	0	0	alpha,omega-dicarboxylic acid	metabolite
3-methylglutaric acid	[no description available]	low	0	0	alpha,omega-dicarboxylic acid	metabolite
dodecanedioic acid	[no description available]	low	0	0	alpha,omega-dicarboxylic acid; dicarboxylic fatty acid	EC 1.1.1.1 (alcohol dehydrogenase) inhibitor; human metabolite
3,3-dimethylglutarate	[no description available]	low	0	0	alpha,omega-dicarboxylic acid	metabolite
medica 16	[no description available]	low	0	0	alpha,omega-dicarboxylic acid	antilipemic drug; EC 2.3.3.8 (ATP citrate synthase) inhibitor; EC 6.4.1.2 (acetyl-CoA carboxylase) inhibitor; G-protein-coupled receptor agonist; hypoglycemic agent
succinylacetoacetate	[no description available]	low	0	0	alpha,omega-dicarboxylic acid; beta-diketone	human metabolite
20-carboxyleukotriene b4	[no description available]	low	0	0	alpha,omega-dicarboxylic acid; hydroxy carboxylic acid; leukotriene	human blood serum metabolite; human urinary metabolite
etc-1002	[no description available]	low	0	0	alpha,omega-dicarboxylic acid	antilipemic drug; EC 2.3.3.8 (ATP citrate synthase) inhibitor; prodrug
2-butynedioic acid	[no description available]	low	0	0	acetylenic compound; C4-dicarboxylic acid
iminoaspartic acid	[no description available]	low	0	0	aspartic acid derivative; C4-dicarboxylic acid; ketimine	Escherichia coli metabolite
2-thiomalic acid	[no description available]	low	0	0	C4-dicarboxylic acid
dihydroxyfumarate	[no description available]	low	0	0	2-hydroxydicarboxylic acid; C4-dicarboxylic acid

Article	Year
Pyridine Derivative of Succinic Acid Hydroxylamide Enhances the Cytotoxic Effect of Cisplatin and Actinomycin D. Bulletin of experimental biology and medicine, Volume: 175, Issue: 1	2023
Balancing gene transfection and cytotoxicity of nucleic acid carriers with focus on ocular and hepatic disorders: evaluation of hydrophobic and hydrophilic polyethyleneimine derivatives. Journal of materials chemistry. B, 05-24, Volume: 11, Issue: 20	2023
Lack of efflux of diglycolic acid from proximal tubule cells leads to its accumulation and to toxicity of diethylene glycol. Toxicology letters, Apr-15, Volume: 379	2023
Role of Plasma Membrane Dicarboxylate Transporters in the Uptake and Toxicity of Diglycolic Acid, a Metabolite of Diethylene Glycol, in Human Proximal Tubule Cells. Toxicological sciences : an official journal of the Society of Toxicology, 10-27, Volume: 190, Issue: 1	2022
Efficacy and safety of the combined metabolic medication, containing inosine, nicotinamide, riboflavin and succinic acid, for the treatment of diabetic neuropathy: a multicenter randomized, double-blind, placebo-controlled parallel group clinical trial (C BMJ open diabetes research & care, Volume: 10, Issue: 3	2022
Cell-Permeable Succinate Rescues Mitochondrial Respiration in Cellular Models of Amiodarone Toxicity. International journal of molecular sciences, Oct-29, Volume: 22, Issue: 21	2021
Toxic effects of benzovindiflupyr, a new SDHI-type fungicide on earthworms (Eisenia fetida). Environmental science and pollution research international, Volume: 28, Issue: 44	2021
Cell-Permeable Succinate Rescues Mitochondrial Respiration in Cellular Models of Statin Toxicity. International journal of molecular sciences, Jan-03, Volume: 22, Issue: 1	2021
Development of a Promising Antitumor Compound Based on Rhodium(II) Succinate Associated with Iron Oxide Nanoparticles Coated with Lauric Acid/Albumin Hybrid: Synthesis, Colloidal Stability and Cytotoxic Effect in Breast Carcinoma Cells. Journal of nanoscience and nanotechnology, Jun-01, Volume: 18, Issue: 6	2018
PFOA-induced metabolism disturbance and multi-generational reproductive toxicity in Oryzias latipes. Journal of hazardous materials, Oct-15, Volume: 340	2017
Exposure to high levels of fumarate and succinate leads to apoptotic cytotoxicity and altered global DNA methylation profiles in vitro. Biochimie, Volume: 135	2017
Bisphenol A treatment by the hot persulfate process: oxidation products and acute toxicity. Journal of hazardous materials, Dec-15, Volume: 263 Pt 2	2013
Nano-formulation of paclitaxel by vitamin E succinate functionalized pluronic micelles for enhanced encapsulation, stability and cytotoxicity. Colloids and surfaces. B, Biointerfaces, Feb-01, Volume: 102	2013
Cholesterol-tethered platinum II-based supramolecular nanoparticle increases antitumor efficacy and reduces nephrotoxicity. Proceedings of the National Academy of Sciences of the United States of America, Jul-10, Volume: 109, Issue: 28	2012
Mitochondrial stress causes increased succination of proteins in adipocytes in response to glucotoxicity. The Biochemical journal, Jul-15, Volume: 445, Issue: 2	2012
Anthrolysin O and fermentation products mediate the toxicity of Bacillus anthracis to lung epithelial cells under microaerobic conditions. FEMS immunology and medical microbiology, Volume: 61, Issue: 1	2011
Metabonomic identification of novel biomarkers in doxorubicin cardiotoxicity and protective effect of the natural antioxidant oleuropein. NMR in biomedicine, Volume: 22, Issue: 6	2009
Aluminum toxicity elicits a dysfunctional TCA cycle and succinate accumulation in hepatocytes. Journal of biochemical and molecular toxicology, Volume: 20, Issue: 4	2006
Effect of melatonin, ascorbic acid, and succinic acid on the cumulative toxic effect of repeated treatment with gammafos (amifostine). Bulletin of experimental biology and medicine, Volume: 137, Issue: 5	2004
A metabonomic investigation of the biochemical effects of mercuric chloride in the rat using 1H NMR and HPLC-TOF/MS: time dependent changes in the urinary profile of endogenous metabolites as a result of nephrotoxicity. The Analyst, Volume: 129, Issue: 6	2004
3-Nitropropionic acid-induced neurotoxicity--assessed by ultra high resolution positron emission tomography with comparison to magnetic resonance spectroscopy. Journal of neurochemistry, Volume: 89, Issue: 5	2004
The phytotoxicity to tobacco plants of short-chain carboxylic acids at atmospheric concentration levels in urban areas. Environmental technology, Volume: 22, Issue: 3	2001
The role of mitochondrial injury in bromobenzene and furosemide induced hepatotoxicity. Toxicology letters, Aug-16, Volume: 116, Issue: 3	2000
Metabolism and cytotoxicity of bisphenol A and other bisphenols in isolated rat hepatocytes. Archives of toxicology, Volume: 74, Issue: 2	2000
Aluminum speciation studies in biological fluids. Part 4. A new investigation of aluminum-succinate complex formation under physiological conditions, and possible implications for aluminum metabolism and toxicity. Journal of inorganic biochemistry, Volume: 71, Issue: 3-4	1998
The effect of idebenone, a coenzyme Q analogue, on hydrophobic bile acid toxicity to isolated rat hepatocytes and hepatic mitochondria. Free radical biology & medicine, Volume: 25, Issue: 4-5	1998
Glutamate neurotoxicity is associated with nitric oxide-mediated mitochondrial dysfunction and glutathione depletion. Brain research, Apr-20, Volume: 790, Issue: 1-2	1998
Photoactivation enhances the mitochondrial toxicity of the cationic rhodacyanine MKT-077. Cancer research, Jan-01, Volume: 58, Issue: 1	1998
[Possibilities of correcting adverse effects of anti-arrhythmia agents]. Vestnik Rossiiskoi akademii meditsinskikh nauk, Issue: 5	1996
Selective cellular acidification and toxicity of weak organic acids in an acidic microenvironment. British journal of cancer, Volume: 68, Issue: 6	1993
Role of cellular energy status in tocopheryl hemisuccinate cytoprotection against ethyl methanesulfonate-induced toxicity. Archives of biochemistry and biophysics, May-15, Volume: 311, Issue: 1	1994
Toxicity of bile acids on the electron transport chain of isolated rat liver mitochondria. Hepatology (Baltimore, Md.), Volume: 19, Issue: 2	1994
Dopaminergic toxicity of rotenone and the 1-methyl-4-phenylpyridinium ion after their stereotaxic administration to rats: implication for the mechanism of 1-methyl-4-phenyl-1,2,3,6-tetrahydropyridine toxicity. Neuroscience letters, Dec-18, Volume: 62, Issue: 3	1985
Comparative effects of several chelating agents on the toxicity, distribution and excretion of aluminium. Human toxicology, Volume: 7, Issue: 3	1988
Citric, malic and succinic acids as possible alternatives to deferoxamine in aluminum toxicity. Journal of toxicology. Clinical toxicology, Volume: 26, Issue: 1-2	1988
The mitochondrial respiratory toxicity of cephalosporin antibiotics. An inhibitory effect on substrate uptake. The Journal of pharmacology and experimental therapeutics, Volume: 245, Issue: 3	1988
Thienamycin nephrotoxicity. Mitochondrial injury and oxidative effects of imipenem in the rabbit kidney. Biochemical pharmacology, Nov-01, Volume: 38, Issue: 21	1989
Lack of toxicity/carcinogenicity of monosodium succinate in F344 rats. Food and chemical toxicology : an international journal published for the British Industrial Biological Research Association, Volume: 28, Issue: 4	1990
The renal mitochondrial toxicity of beta-lactam antibiotics: in vitro effects of cephaloglycin and imipenem. Journal of the American Society of Nephrology : JASN, Volume: 1, Issue: 5	1990
Dopaminergic neurotoxicity in vivo and inhibition of mitochondrial respiration in vitro by possible endogenous pyridinium-like substances. Journal of neurochemistry, Volume: 57, Issue: 6	1991
[information is derived through text-mining from research data collected from National Library of Medicine (NLM), extracted Dec-2023]

Article	Year
Polyphenols prevent ageing-related impairment in skeletal muscle mitochondrial function through decreased reactive oxygen species production. Experimental physiology, Volume: 98, Issue: 2	2013
Effect of neuronol on lifespan and development of spontaneous tumors in SAMP-1 mice with genetically accelerated aging. Bulletin of experimental biology and medicine, Volume: 136, Issue: 6	2003
Effects of dichloroacetate on brain tissue pyruvate dehydrogenase. Journal of neurochemistry, Volume: 41, Issue: 4	1983
Lack of toxicity/carcinogenicity of monosodium succinate in F344 rats. Food and chemical toxicology : an international journal published for the British Industrial Biological Research Association, Volume: 28, Issue: 4	1990
[information is derived through text-mining from research data collected from National Library of Medicine (NLM), extracted Dec-2023]

Article	Year
Pharmacokinetics of Succinate in Rats after Intravenous Administration of Mexidol. Bulletin of experimental biology and medicine, Volume: 175, Issue: 1	2023
Metabolic clearance of oxaloacetate and mitochondrial complex II respiration: Divergent control in skeletal muscle and brown adipose tissue. Biochimica et biophysica acta. Bioenergetics, 01-01, Volume: 1864, Issue: 1	2023
In vivo pharmacokinetics, biodistribution and antitumor effect of paclitaxel-loaded micelles based on α-tocopherol succinate-modified chitosan. Drug delivery, Volume: 23, Issue: 8	2016
Stabilization of resveratrol in blood circulation by conjugation to mPEG and mPEG-PLA polymers: investigation of conjugate linker and polymer composition on stability, metabolism, antioxidant activity and pharmacokinetic profile. PloS one, Volume: 10, Issue: 3	2015
Salt and cocrystals of sildenafil with dicarboxylic acids: solubility and pharmacokinetic advantage of the glutarate salt. Molecular pharmaceutics, Dec-02, Volume: 10, Issue: 12	2013
A novel whole-phase succinate fermentation strategy with high volumetric productivity in engineered Escherichia coli. Bioresource technology, Volume: 149	2013
Preclinical pharmacokinetic analysis of armillarisin succinate ester in mouse plasma and tissues by LC-MS/MS. Biomedical chromatography : BMC, Volume: 27, Issue: 1	2013
[Intestinal absorption of enteric coating potassium sodium dehydroandroan drographolide succinate pellets in rat and in vivo pharmacokinetics study]. Zhong yao cai = Zhongyaocai = Journal of Chinese medicinal materials, Volume: 34, Issue: 8	2011
Dynamic nuclear polarization system output volume reduction using inert fluids. Journal of magnetic resonance imaging : JMRI, Volume: 33, Issue: 4	2011
MitoK(ATP)-dependent changes in mitochondrial volume and in complex II activity during ischemic and pharmacological preconditioning of Langendorff-perfused rat heart. Journal of bioenergetics and biomembranes, Volume: 38, Issue: 2	2006
Simultaneous quantitative analysis of isobars by tandem mass spectrometry from unresolved chromatographic peaks. Journal of mass spectrometry : JMS, Volume: 39, Issue: 5	2004
Excess rumen product anions in cattle. I. Blood clearance rates and reduced liver function from sublethal doses of volatile fatty acids, lactate and succinate. Canadian journal of comparative medicine : Revue canadienne de medecine comparee, Volume: 47, Issue: 2	1983
[information is derived through text-mining from research data collected from National Library of Medicine (NLM), extracted Dec-2023]

Article	Year
Xianglian pill modulates gut microbial production of succinate and induces regulatory T cells to alleviate ulcerative colitis in rats. Journal of ethnopharmacology, Mar-01, Volume: 303	2023
Bifidobacterium breve MCC1274 Supplementation Increased the Plasma Levels of Metabolites with Potential Anti-Oxidative Activity in APP Knock-In Mice. Journal of Alzheimer's disease : JAD, Volume: 89, Issue: 4	2022
Combination of co-crystal and nanocrystal techniques to improve the solubility and dissolution rate of poorly soluble drugs. Pharmaceutical research, Volume: 39, Issue: 5	2022
Synthesis and controlled drug delivery studies of a novel Ubiquinol-Polyethylene glycol-Vitamin E adduct. Bioorganic chemistry, Volume: 105	2020
Polyethylene glycol (5,000) succinate conjugate of lopinavir and its associated toxicity using Danio rerio as a model organism. Scientific reports, 07-16, Volume: 10, Issue: 1	2020
A High-Throughput Screen of a Library of Therapeutics Identifies Cytotoxic Substrates of P-glycoprotein. Molecular pharmacology, Volume: 96, Issue: 5	2019
Physiologically relevant orthogonal assays for the discovery of small-molecule modulators of WIP1 phosphatase in high-throughput screens. The Journal of biological chemistry, 11-15, Volume: 294, Issue: 46	2019
Morpholide derivative of the novel oleanolic oxime and succinic acid conjugate diminish the expression and activity of NF-κB and STATs in human hepatocellular carcinoma cells. Chemico-biological interactions, Sep-25, Volume: 311	2019
Formulation of aripiprazole-loaded pH-modulated solid dispersions via hot-melt extrusion technology: In vitro and in vivo studies. International journal of pharmaceutics, Jan-10, Volume: 554	2019
Conjugation of vitamin E-TPGS and guar gum to carry borneol for enhancing blood-brain barrier permeability. Journal of biomaterials applications, Volume: 33, Issue: 4	2018
RELATIVE BIOAVAILABILITY STUDY OF SUCCINIC ACID COCRYSTAL TABLET AND MARKETED CONVENTIONAL IMMEDIATE RELEASE TABLET FORMULATION OF CARBAMAZEPINE 200 MG IN RABBITS. Acta poloniae pharmaceutica, Volume: 73, Issue: 4	2016
Synthesis, stability and bioavailability of astaxanthin succinate diester. Journal of the science of food and agriculture, Volume: 98, Issue: 8	2018
New multi-component solid forms of anti-cancer drug Erlotinib: role of auxiliary interactions in determining a preferred conformation. Acta crystallographica Section B, Structural science, crystal engineering and materials, 06-01, Volume: 72, Issue: Pt 3	2016
The development of carbamazepine-succinic acid cocrystal tablet formulations with improved in vitro and in vivo performance. Drug development and industrial pharmacy, Volume: 42, Issue: 6	2016
[Absorption of Uranium with Tea Oil Tree Sawdust Modified by Succinic Acid]. Huan jing ke xue= Huanjing kexue, Volume: 36, Issue: 5	2015
Microenvironmental pH-modified solid dispersions to enhance the dissolution and bioavailability of poorly water-soluble weakly basic GT0918, a developing anti-prostate cancer drug: preparation, characterization and evaluation in vivo. International journal of pharmaceutics, Nov-20, Volume: 475, Issue: 1-2	2014
Organic acids enhance bioavailability of tetracycline in water to Escherichia coli for uptake and expression of antibiotic resistance. Water research, Nov-15, Volume: 65	2014
Fecal metabonomic study of a polysaccharide, MDG-1 from Ophiopogon japonicus on diabetic mice based on gas chromatography/time-of-flight mass spectrometry (GC TOF/MS). Molecular bioSystems, Volume: 10, Issue: 2	2014
Salt and cocrystals of sildenafil with dicarboxylic acids: solubility and pharmacokinetic advantage of the glutarate salt. Molecular pharmaceutics, Dec-02, Volume: 10, Issue: 12	2013
Dynamics of three organic acids (malic, acetic and succinic acid) in sunflower exposed to cadmium and lead. International journal of phytoremediation, Volume: 15, Issue: 7	2013
Ion-pair strategy for enabling amifostine oral absorption: rat in situ and in vivo experiments. European journal of pharmaceutical sciences : official journal of the European Federation for Pharmaceutical Sciences, Jul-16, Volume: 49, Issue: 4	2013
An improved small-molecule inhibitor of FtsZ with superior in vitro potency, drug-like properties, and in vivo efficacy. Antimicrobial agents and chemotherapy, Volume: 57, Issue: 1	2013
Formation of itraconazole-succinic acid cocrystals by gas antisolvent cocrystallization. AAPS PharmSciTech, Volume: 13, Issue: 4	2012
Development of a novel combination tablet containing trimebutine maleate and mosapride citrate for the treatment of functional dyspepsia. International journal of pharmaceutics, Nov-15, Volume: 400, Issue: 1-2	2010
Organic acids influence iron uptake in the human epithelial cell line Caco-2. Journal of agricultural and food chemistry, Oct-09, Volume: 50, Issue: 21	2002
[information is derived through text-mining from research data collected from National Library of Medicine (NLM), extracted Dec-2023]

Article	Year
Biomimetic Electrochemical Sensors Based on Core-Shell Imprinted Polymers for Targeted Sunset Yellow Estimation in Environmental Samples. Biosensors, Mar-28, Volume: 13, Issue: 4	2023
Optimization of microwave-assisted esterification of succinic acid using Box-Behnken design approach. Environmental science and pollution research international, Volume: 30, Issue: 28	2023
In Vitro Inhibitory Effect of Succinic Acid on T-Cell Acute Lymphoblastic Leukemia Cell Lines. Archives of medical research, Volume: 52, Issue: 3	2021
Impact of metabolite accumulation on the structure, viability and development of succinic acid-producing biofilms of Actinobacillus succinogenes. Applied microbiology and biotechnology, Volume: 103, Issue: 15	2019
Integrated production of cellulosic bioethanol and succinic acid from rapeseed straw after dilute-acid pretreatment. Bioresource technology, Volume: 265	2018
Use of succinic & oxalic acid in reducing the dosage of colistin against New Delhi metallo-β-lactamase-1 bacteria. The Indian journal of medical research, Volume: 147, Issue: 1	2018
Glycosylation-enhanced biocompatibility of the supramolecular hydrogel of an anti-inflammatory drug for topical suppression of inflammation. Acta biomaterialia, Volume: 73	2018
Dietary effects of succinic acid on the growth, digestive enzymes, immune response and resistance to ammonia stress of Litopenaeus vannamei. Fish & shellfish immunology, Volume: 78	2018
Isolation of new cellulase and xylanase producing strains and application to lignocellulosic biomasses hydrolysis and succinic acid production. Bioresource technology, Volume: 259	2018
Serum metabolic changes in rats after intragastric administration of dextromethorphan. Biomedical chromatography : BMC, Volume: 31, Issue: 3	2017
Promising applications in drug delivery systems of a novel β-cyclodextrin derivative obtained by green synthesis. Bioorganic & medicinal chemistry letters, Jan-15, Volume: 26, Issue: 2	2016
Metabolic profile of mephedrone: Identification of nor-mephedrone conjugates with dicarboxylic acids as a new type of xenobiotic phase II metabolites. Toxicology letters, Jan-05, Volume: 240, Issue: 1	2016
The development of carbamazepine-succinic acid cocrystal tablet formulations with improved in vitro and in vivo performance. Drug development and industrial pharmacy, Volume: 42, Issue: 6	2016
[Absorption of Uranium with Tea Oil Tree Sawdust Modified by Succinic Acid]. Huan jing ke xue= Huanjing kexue, Volume: 36, Issue: 5	2015
Animal Models of Depression and Drug Delivery with Food as an Effective Dosing Method: Evidences from Studies with Celecoxib and Dicholine Succinate. BioMed research international, Volume: 2015	2015
Study on polyepoxysuccinic acid reverse osmosis scale inhibitor. Journal of environmental sciences (China), Volume: 21 Suppl 1	2009
Rifaximin modulates the vaginal microbiome and metabolome in women affected by bacterial vaginosis. Antimicrobial agents and chemotherapy, Volume: 58, Issue: 6	2014
Structure and properties of domperidone and its succinate salt. Acta crystallographica Section B, Structural science, crystal engineering and materials, Volume: 69, Issue: Pt 4	2013
Opposite and tissue-specific effects of coenzyme Q2 on mPTP opening and ROS production between heart and liver mitochondria: role of complex I. Journal of molecular and cellular cardiology, Volume: 52, Issue: 5	2012
The effect of once daily omeprazole and succinic acid (VECAM) vs once daily omeprazole on 24-h intragastric pH. Neurogastroenterology and motility, Volume: 24, Issue: 5	2012
Metabolomic analysis of liver and skeletal muscle tissues in C57BL/6J and DBA/2J mice exposed to 2,3,7,8-tetrachlorodibenzo-p-dioxin. Molecular bioSystems, Volume: 7, Issue: 6	2011
Effect of dehydroepiandrosterone (DHEA) treatment on oxidative energy metabolism in rat liver and brain mitochondria. A dose-response study. Clinical biochemistry, Volume: 40, Issue: 1-2	2007
Microenvironmental pH and microviscosity inside pH-controlled matrix tablets: an EPR imaging study. Journal of controlled release : official journal of the Controlled Release Society, May-01, Volume: 112, Issue: 1	2006
Pattern recognition analysis for classification of hypertensive model rats and diurnal variation using 1H-NMR spectroscopy of urine. Analytical sciences : the international journal of the Japan Society for Analytical Chemistry, Volume: 21, Issue: 11	2005
The effect of crystal morphology and mill type on milling induced crystal disorder. European journal of pharmaceutical sciences : official journal of the European Federation for Pharmaceutical Sciences, Volume: 27, Issue: 1	2006
Intermediates of Krebs cycle correct the depression of the whole body oxygen consumption and lethal cooling in barbiturate poisoning in rat. Toxicology, Oct-01, Volume: 202, Issue: 3	2004
A metabonomic investigation of the biochemical effects of mercuric chloride in the rat using 1H NMR and HPLC-TOF/MS: time dependent changes in the urinary profile of endogenous metabolites as a result of nephrotoxicity. The Analyst, Volume: 129, Issue: 6	2004
Creatine protects against the convulsive behavior and lactate production elicited by the intrastriatal injection of methylmalonate. Neuroscience, Volume: 118, Issue: 4	2003
Different sensitivity of rabbit heart and skeletal muscle to endotoxin-induced impairment of mitochondrial function. European journal of biochemistry, Volume: 268, Issue: 5	2001
The role of mitochondrial injury in bromobenzene and furosemide induced hepatotoxicity. Toxicology letters, Aug-16, Volume: 116, Issue: 3	2000
Differential effect of pentobarbital on chick neurons and astrocytes grown in culture. Neurochemical research, Volume: 7, Issue: 3	1982
[information is derived through text-mining from research data collected from National Library of Medicine (NLM), extracted Dec-2023]

succinic acid

Description

Cross-References

Synonyms (161)

Research Excerpts

Overview

Effects

Actions

Treatment

Roles (5)

Drug Classes (2)

Pathways (147)

Protein Targets (21)

Potency Measurements

Inhibition Measurements

Activation Measurements

Other Measurements

Biological Processes (157)

Molecular Functions (60)

Ceullar Components (29)

Bioassays (74)

Research

Studies (3,987)

Study Types

Research Highlights

Safety/Toxicity (41)

Long-term Use (4)

Pharmacokinetics (12)

Bioavailability (25)

Dosage (32)

Interactions (1)

Natural Sources (1)

Article	Year
Succinate prodrugs in combination with atropine and pralidoxime protect cerebral mitochondrial function in a rodent model of acute organophosphate poisoning. Scientific reports, 11-25, Volume: 12, Issue: 1	2022
[information is derived through text-mining from research data collected from National Library of Medicine (NLM), extracted Dec-2023]

Article	Year
In vivo anti-Trypanosoma cruzi activity of hydro-ethanolic extract and isolated active principles from Aristeguietia glutinosa and mechanism of action studies. Molecules (Basel, Switzerland), Jun-23, Volume: 19, Issue: 6	2014
[information is derived through text-mining from research data collected from National Library of Medicine (NLM), extracted Dec-2023]

succinic acid

Description

Cross-References

Synonyms (161)

Research Excerpts

Overview

Effects

Actions

Treatment

Roles (5)

Drug Classes (2)

Pathways (147)

Protein Targets (21)

Potency Measurements

Inhibition Measurements

Activation Measurements

Other Measurements

Biological Processes (157)

Molecular Functions (60)

Ceullar Components (29)

Bioassays (74)

Research

Studies (3,987)

Study Types

Related Drugs (2,195)

Related Conditions (3,041)

Research Highlights

Safety/Toxicity (41)

Long-term Use (4)

Pharmacokinetics (12)

Bioavailability (25)

Dosage (32)

Interactions (1)

Natural Sources (1)