evans blue profile

Evans Blue: An azo dye used in blood volume and cardiac output measurement by the dye dilution method. It is very soluble, strongly bound to plasma albumin, and disappears very slowly. [Medical Subject Headings (MeSH), National Library of Medicine, extracted Dec-2023]

Evans blue : An organic sodium salt that is the tetrasodium salt of 6,6'-{(3,3'-dimethyl[1,1'-biphenyl]-4,4'-diyl)bis[diazene-2,1-diyl]}bis(4-amino-5-hydroxynaphthalene-1,3-disulfonate). It is sometimes used as a counterstain, especially in fluorescent methods to suppress background autofluorescence. [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]

ID Source	ID
PubMed CID	9409
CHEMBL ID	1200712
CHEBI ID	82467
MeSH ID	M0007985

Synonym
tetrasodium 6,6'-[(3,3'-dimethylbiphenyl-4,4'-diyl)di(e)diazene-2,1-diyl]bis(4-amino-5-hydroxynaphthalene-1,3-disulfonate)
ci direct blue 53
c.i. direct blue 53, tetrasodium salt
geigy-blau 536
evan's blue
geigy blue 536, med
diazol pure blue bf
nsc-8680
dye evans blue
314-13-6
evans blue
c.i. 23860
1,3-naphthalenedisulfonic acid, 6,6'-((3,3'-dimethyl(1,1'-biphenyl)-4,4'-diyl)bis(azo))bis(4-amino-5-hydroxy)-, tetrasodium salt
c.i. direct blue 53 tetrasodium salt
direct blue 53
modr prima 53 [czech]
c34h24n6na4o14s4
1,3-naphthalenedisulfonic acid, 6,6'-((3,3'-dimethyl(1,1'-biphenyl)-4,4'-diyl)bis(azo))bis(4-amino-5-hydroxy-, tetrasodium salt
blekit evansa [polish]
1,3-naphthalenedisulfonic acid, 6,6'-((3,3'-dimethyl-4,4'-biphenylylene)bis(azo))bis(4-amino-5-hydroxy-, tetrasodium salt
einecs 206-242-5
4,4'-bis(7-(1-amino-8-hydroxy-2,4-disulpho)naphthylazo)-3,3'-bitolyl, tetrasodium salt
modr evansova [czech]
4,4'-bis(1-amino-8-hydroxy-2,4-disulfo-7-naphthylazo)-3,3'-bitolyl, tetrasodium salt
evans blue, sodium salt
4,4'-bis(7-(1-amino-8-hydroxy-2,4-disulfo)naphthylazo)-3,3'-bitolyl, tetrasodium salt
4,4'-bis(1-amino-8-hydroxy-2,4-disulpho-7-naphthylazo)-3,3'-bitolyl, tetrasodium salt
ccris 167
tetrasodium 6,6'-(3,3'-dimethyl-(1,1'-biphenyl)-4,4'diyl)bis(azo)bis(4-amino-5-hydroxy-1,3-naphthalenedisulphonate)
CHEMBL1200712
direct blue 53 tetrasodium salt
E0197
AKOS005287327
HMS3264P03
C19422
tox21_113237
dtxcid102815
cas-314-13-6
dtxsid9022815 ,
tox21_110929
S4716
1,3-naphthalenedisulfonic acid, 6,6'-((3,3'-dimethyl(1,1'-biphenyl)-4,4'-diyl)bis(2,1-diazenediyl))bis(4-amino-5-hydroxy-, sodium salt (1:4)
blekit evansa
modr prima 53
evans blue [usp]
modr evansova
45pg892go1 ,
unii-45pg892go1
AKOS015903001
evans blue [vandf]
dye evans blue [vandf]
evans blue [who-dd]
evans blue [iarc]
evans blue [orange book]
evan's blue [mi]
azovan blue [mart.]
CCG-213687
CHEBI:82467 ,
tetrasodium 6,6'-{(3,3'-dimethyl[1,1'-biphenyl]-4,4'-diyl)bis[diazene-2,1-diyl]}bis(4-amino-5-hydroxynaphthalene-1,3-disulfonate)
6,6-[(3,3'-dimethyl[1,1'-biphenyl]-4,4'-diyl)bis(azo)bis[4-amino- 5-hydroxy-1,3-naphthalenedisulphonic acid] tetrasodium salt
6,6-[(3,3'-dimethyl[1,1'-biphenyl]-4, 4'-diyl)bis(azo)bis[4-amino-5-hydroxy-1,3-naphthalenedisulphonic acid] tetrasodium salt
HB0280
mfcd00004021
evansblue
tetrasodium 4-amino-6-[(e)-2-{4'-[(e)-2-(8-amino-1-hydroxy-5,7-disulfonaphthalen-2-yl)diazen-1-yl]-3,3'-dimethyl-[1,1'-biphenyl]-4-yl}diazen-1-yl]-5-hydroxynaphthalene-1,3-disulfonate
GS-6076
tetrasodium 6,6'-[(3,3'-dimethyl-4,4'-biphenyldiyl)bis(2,1-diazenediyl)]bis(4-amino-5-hydroxy-1,3-naphthalenedisulfonate)
sodium 6,6'-((3,3'-dimethyl-[1,1'-biphenyl]-4,4'-diyl)bis(diazene-2,1-diyl))bis(4-amino-5-hydroxynaphthalene-1,3-disulfonate)
direct blue 53; c.i. 23860
AMY22387
sodium 6,6'-(1e,1'e)-(3,3'-dimethylbiphenyl-4,4'-diyl)bis(diazene-2,1-diyl)bis(4-amino-5-hydroxynaphthalene-1,3-disulfonate)
tetrasodium;4-amino-6-[[4-[4-[(8-amino-1-hydroxy-5,7-disulfonatonaphthalen-2-yl)diazenyl]-3-methylphenyl]-2-methylphenyl]diazenyl]-5-hydroxynaphthalene-1,3-disulfonate
A875909
H10520
tetrasodium 4-amino-6-[(1e)-2-{4'-[(1e)-2-(8-amino-1-hydroxy-5,7-disulfonatonaphthalen-2-yl)diazen-1-yl]-3,3'-dimethyl-[1,1'-biphenyl]-4-yl}diazen-1-yl]-5-hydroxynaphthalene-1,3-disulfonate

Excerpt	Reference
"Evans blue is a dye that binds albumin."	( Chernoff, J; Radu, M, 2013)
"Evans blue dye (EBD) is an inert tracer that measures plasma volume in human subjects and vascular permeability in animal models. "	( Lai, TW; Wang, HL, 2014)
"The Evans Blue assay is a popular method for the quantification of BBB disruption."	( Chen, H; Kammer, J; Manaenko, A; Tang, J; Zhang, JH, 2011)
"Tc-Evans blue is a 'single dose' agent for lymphatic mapping combining radioactivity and blue dye for sentinel node identification. "	( Chatterton, BE; Farshid, G; Green, M; Kollias, J; Tsopelas, C, 2006)
"Evans blue dye, which acts as an adjuvant in mice to promote induction of cell-mediated immunity, was found earlier to apparently act contrarily and decrease tuberculoimmunity. "	( Crowle, AJ; May, MH, 1982)
"Evans blue dye functions as an adjuvant with protein antigens in saline to induce cell-mediated immunological responses in mice. "	( Anderson, DW; Crowle, AJ, 1981)
"Evans Blue is a specific inhibitor of this reaction and acts by inhibiting the binding of Factor VIII to the platelet surface."	( Kirby, EP, 1975)
"Evans blue, which is a structural analogue of suramin, exerted its inhibitory action largely by competing with the template.primer for the same binding site of the enzyme."	( Balzarini, J; De Clercq, E; Nakane, H; Ono, K, 1988)

Excerpt	Reference
"Evans blue dye has a high affinity for albumin and emits a red-orange fluorescence at a wavelength of 720 nm."	( Cook, BH; Granger, DN; Taylor, AE, 1976)
"Evans blue (EB) dye has owned a long history as a biological dye and diagnostic agent since its first staining application by Herbert McLean Evans in 1914. "	( Chen, F; Ni, Y; Xue, X; Yao, L; Yu, P, 2018)
"Evans blue dye has been chosen primarily because it is easy for the average laboratory to use."	( Dempsey, EC; Harral, JW; Loomis, ZL; Wick, MJ, 2018)
"Evans blue dye (EBD) has been used extensively as a marker of extravascular protein leakage. "	( Chang, SW; Dallal, MM, 1994)
"Evans blue dye has a high affinity for albumin and emits a red-orange fluorescence at a wavelength of 720 nm."	( Cook, BH; Granger, DN; Taylor, AE, 1976)

Excerpt	Reference
"Pretreatment with Evans blue 50 mg/kg 1 h earlier exhibited longer-term inhibitory effect on compound 48/80-induced arterial hypotension and systemic inflammation."	( Chen, CL; Fu, YS; Huang, HT; Huang, SY; Kuo, SY; Lee, KZ; Lin, HY; Wen, ZH, 2015)

Role	Description
histological dye	A dye used in microscopic or electron microscopic examination of cells and tissues to give contrast and to highlight particular features of interest, such as nuclei and cytoplasm.
fluorochrome	A fluorescent dye used to stain biological specimens.
teratogenic agent	A role played by a chemical compound in biological systems with adverse consequences in embryo developments, leading to birth defects, embryo death or altered development, growth retardation and functional defect.
sodium channel blocker	An agent that inhibits sodium influx through cell membranes.
[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
organic sodium salt
[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]

Protein	Taxonomy	Measurement	Average (µ)	Min (ref.)	Avg (ref.)	Max (ref.)	Bioassay(s)
TDP1 protein	Homo sapiens (human)	Potency	16.5073	0.0008	11.3822	44.6684	AID686978; AID686979
AR protein	Homo sapiens (human)	Potency	12.5283	0.0002	21.2231	8,912.5098	AID743035; AID743042; AID743054; AID743063
estrogen nuclear receptor alpha	Homo sapiens (human)	Potency	24.8507	0.0002	29.3054	16,493.5996	AID743079; AID743080; AID743091
cytochrome P450, family 19, subfamily A, polypeptide 1, isoform CRA_a	Homo sapiens (human)	Potency	26.6032	0.0017	23.8393	78.1014	AID743083
thyroid hormone receptor beta isoform 2	Rattus norvegicus (Norway rat)	Potency	26.7135	0.0003	23.4451	159.6830	AID743065; AID743067
ATPase family AAA domain-containing protein 5	Homo sapiens (human)	Potency	13.3332	0.0119	17.9420	71.5630	AID651632
Ataxin-2	Homo sapiens (human)	Potency	13.3332	0.0119	12.2221	68.7989	AID651632
[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)
Luciferin 4-monooxygenase	Photinus pyralis (common eastern firefly)	IC50 (µMol)	11.0400	0.0589	3.1426	10.0000	AID328181; AID328182; AID328183; AID328185; AID328186
60 kDa heat shock protein, mitochondrial	Homo sapiens (human)	IC50 (µMol)	0.1700	0.1700	4.5590	10.0000	AID1594139
Tyrosine-protein phosphatase non-receptor type 1	Homo sapiens (human)	IC50 (µMol)	1.3000	0.0005	3.4984	9.7600	AID157217
Tyrosine-protein phosphatase 1	Saccharomyces cerevisiae S288C	IC50 (µMol)	1.2000	1.2000	4.3000	7.4000	AID220230
10 kDa heat shock protein, mitochondrial	Homo sapiens (human)	IC50 (µMol)	0.1700	0.1700	4.5590	10.0000	AID1594139
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2	Homo sapiens (human)	IC50 (µMol)	0.9220	0.0011	1.0958	10.0000	AID472450
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2	Homo sapiens (human)	Ki	0.8240	0.1000	0.9380	1.8900	AID472451
Thiosulfate sulfurtransferase	Homo sapiens (human)	IC50 (µMol)	8.7000	0.0600	3.9631	9.7000	AID1594135
60 kDa chaperonin	Escherichia coli	IC50 (µMol)	0.0630	0.0390	3.5552	9.8000	AID1594140; AID1594141
10 kDa chaperonin	Escherichia coli	IC50 (µMol)	0.0630	0.0390	3.5552	9.8000	AID1594140; AID1594141
Vesicular glutamate transporter 3	Rattus norvegicus (Norway rat)	Ki	0.0400	0.0400	0.1150	0.1900	AID216240
[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)
Albumin	Homo sapiens (human)	Kd	2.5000	0.0893	3.3135	8.0000	AID1758625
[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
cellular response to starvation	Albumin	Homo sapiens (human)
negative regulation of mitochondrial depolarization	Albumin	Homo sapiens (human)
cellular response to calcium ion starvation	Albumin	Homo sapiens (human)
cellular oxidant detoxification	Albumin	Homo sapiens (human)
transport	Albumin	Homo sapiens (human)
protein folding	60 kDa chaperonin	Escherichia coli K-12
response to radiation	60 kDa chaperonin	Escherichia coli K-12
response to heat	60 kDa chaperonin	Escherichia coli K-12
virion assembly	60 kDa chaperonin	Escherichia coli K-12
chaperone cofactor-dependent protein refolding	60 kDa chaperonin	Escherichia coli K-12
protein refolding	60 kDa chaperonin	Escherichia coli K-12
chaperone cofactor-dependent protein refolding	60 kDa chaperonin	Escherichia coli K-12
response to heat	60 kDa chaperonin	Escherichia coli K-12
adhesion of symbiont to host	60 kDa heat shock protein, mitochondrial	Homo sapiens (human)
positive regulation of type II interferon production	60 kDa heat shock protein, mitochondrial	Homo sapiens (human)
T cell activation	60 kDa heat shock protein, mitochondrial	Homo sapiens (human)
MyD88-dependent toll-like receptor signaling pathway	60 kDa heat shock protein, mitochondrial	Homo sapiens (human)
positive regulation of T cell mediated immune response to tumor cell	60 kDa heat shock protein, mitochondrial	Homo sapiens (human)
'de novo' protein folding	60 kDa heat shock protein, mitochondrial	Homo sapiens (human)
activation of cysteine-type endopeptidase activity involved in apoptotic process	60 kDa heat shock protein, mitochondrial	Homo sapiens (human)
response to unfolded protein	60 kDa heat shock protein, mitochondrial	Homo sapiens (human)
response to cold	60 kDa heat shock protein, mitochondrial	Homo sapiens (human)
positive regulation of interferon-alpha production	60 kDa heat shock protein, mitochondrial	Homo sapiens (human)
positive regulation of type II interferon production	60 kDa heat shock protein, mitochondrial	Homo sapiens (human)
positive regulation of interleukin-10 production	60 kDa heat shock protein, mitochondrial	Homo sapiens (human)
positive regulation of interleukin-12 production	60 kDa heat shock protein, mitochondrial	Homo sapiens (human)
positive regulation of interleukin-6 production	60 kDa heat shock protein, mitochondrial	Homo sapiens (human)
protein refolding	60 kDa heat shock protein, mitochondrial	Homo sapiens (human)
B cell proliferation	60 kDa heat shock protein, mitochondrial	Homo sapiens (human)
B cell activation	60 kDa heat shock protein, mitochondrial	Homo sapiens (human)
positive regulation of macrophage activation	60 kDa heat shock protein, mitochondrial	Homo sapiens (human)
positive regulation of apoptotic process	60 kDa heat shock protein, mitochondrial	Homo sapiens (human)
negative regulation of apoptotic process	60 kDa heat shock protein, mitochondrial	Homo sapiens (human)
isotype switching to IgG isotypes	60 kDa heat shock protein, mitochondrial	Homo sapiens (human)
protein stabilization	60 kDa heat shock protein, mitochondrial	Homo sapiens (human)
positive regulation of T cell activation	60 kDa heat shock protein, mitochondrial	Homo sapiens (human)
chaperone-mediated protein complex assembly	60 kDa heat shock protein, mitochondrial	Homo sapiens (human)
protein maturation	60 kDa heat shock protein, mitochondrial	Homo sapiens (human)
biological process involved in interaction with symbiont	60 kDa heat shock protein, mitochondrial	Homo sapiens (human)
cellular response to interleukin-7	60 kDa heat shock protein, mitochondrial	Homo sapiens (human)
T cell activation	60 kDa heat shock protein, mitochondrial	Homo sapiens (human)
protein import into mitochondrial intermembrane space	60 kDa heat shock protein, mitochondrial	Homo sapiens (human)
protein folding	60 kDa heat shock protein, mitochondrial	Homo sapiens (human)
mitochondrial unfolded protein response	60 kDa heat shock protein, mitochondrial	Homo sapiens (human)
apoptotic mitochondrial changes	60 kDa heat shock protein, mitochondrial	Homo sapiens (human)
positive regulation of JUN kinase activity	Tyrosine-protein phosphatase non-receptor type 1	Homo sapiens (human)
protein dephosphorylation	Tyrosine-protein phosphatase non-receptor type 1	Homo sapiens (human)
insulin receptor signaling pathway	Tyrosine-protein phosphatase non-receptor type 1	Homo sapiens (human)
regulation of signal transduction	Tyrosine-protein phosphatase non-receptor type 1	Homo sapiens (human)
negative regulation of signal transduction	Tyrosine-protein phosphatase non-receptor type 1	Homo sapiens (human)
actin cytoskeleton organization	Tyrosine-protein phosphatase non-receptor type 1	Homo sapiens (human)
regulation of endocytosis	Tyrosine-protein phosphatase non-receptor type 1	Homo sapiens (human)
negative regulation of vascular endothelial growth factor receptor signaling pathway	Tyrosine-protein phosphatase non-receptor type 1	Homo sapiens (human)
endoplasmic reticulum unfolded protein response	Tyrosine-protein phosphatase non-receptor type 1	Homo sapiens (human)
regulation of intracellular protein transport	Tyrosine-protein phosphatase non-receptor type 1	Homo sapiens (human)
cellular response to unfolded protein	Tyrosine-protein phosphatase non-receptor type 1	Homo sapiens (human)
peptidyl-tyrosine dephosphorylation	Tyrosine-protein phosphatase non-receptor type 1	Homo sapiens (human)
platelet-derived growth factor receptor-beta signaling pathway	Tyrosine-protein phosphatase non-receptor type 1	Homo sapiens (human)
IRE1-mediated unfolded protein response	Tyrosine-protein phosphatase non-receptor type 1	Homo sapiens (human)
insulin receptor recycling	Tyrosine-protein phosphatase non-receptor type 1	Homo sapiens (human)
negative regulation of MAP kinase activity	Tyrosine-protein phosphatase non-receptor type 1	Homo sapiens (human)
negative regulation of insulin receptor signaling pathway	Tyrosine-protein phosphatase non-receptor type 1	Homo sapiens (human)
regulation of type I interferon-mediated signaling pathway	Tyrosine-protein phosphatase non-receptor type 1	Homo sapiens (human)
growth hormone receptor signaling pathway via JAK-STAT	Tyrosine-protein phosphatase non-receptor type 1	Homo sapiens (human)
positive regulation of protein tyrosine kinase activity	Tyrosine-protein phosphatase non-receptor type 1	Homo sapiens (human)
negative regulation of ERK1 and ERK2 cascade	Tyrosine-protein phosphatase non-receptor type 1	Homo sapiens (human)
regulation of hepatocyte growth factor receptor signaling pathway	Tyrosine-protein phosphatase non-receptor type 1	Homo sapiens (human)
negative regulation of endoplasmic reticulum stress-induced intrinsic apoptotic signaling pathway	Tyrosine-protein phosphatase non-receptor type 1	Homo sapiens (human)
positive regulation of IRE1-mediated unfolded protein response	Tyrosine-protein phosphatase non-receptor type 1	Homo sapiens (human)
negative regulation of PERK-mediated unfolded protein response	Tyrosine-protein phosphatase non-receptor type 1	Homo sapiens (human)
peptidyl-tyrosine dephosphorylation involved in inactivation of protein kinase activity	Tyrosine-protein phosphatase non-receptor type 1	Homo sapiens (human)
positive regulation of receptor catabolic process	Tyrosine-protein phosphatase non-receptor type 1	Homo sapiens (human)
negative regulation of transcription by RNA polymerase II	Nuclear factor NF-kappa-B p105 subunit	Homo sapiens (human)
positive regulation of transcription by RNA polymerase II	Nuclear factor NF-kappa-B p105 subunit	Homo sapiens (human)
cellular response to lipopolysaccharide	Nuclear factor NF-kappa-B p105 subunit	Homo sapiens (human)
negative regulation of transcription by RNA polymerase II	Nuclear factor NF-kappa-B p105 subunit	Homo sapiens (human)
regulation of transcription by RNA polymerase II	Nuclear factor NF-kappa-B p105 subunit	Homo sapiens (human)
transcription by RNA polymerase II	Nuclear factor NF-kappa-B p105 subunit	Homo sapiens (human)
apoptotic process	Nuclear factor NF-kappa-B p105 subunit	Homo sapiens (human)
inflammatory response	Nuclear factor NF-kappa-B p105 subunit	Homo sapiens (human)
canonical NF-kappaB signal transduction	Nuclear factor NF-kappa-B p105 subunit	Homo sapiens (human)
JNK cascade	Nuclear factor NF-kappa-B p105 subunit	Homo sapiens (human)
negative regulation of gene expression	Nuclear factor NF-kappa-B p105 subunit	Homo sapiens (human)
positive regulation of macrophage derived foam cell differentiation	Nuclear factor NF-kappa-B p105 subunit	Homo sapiens (human)
positive regulation of lipid storage	Nuclear factor NF-kappa-B p105 subunit	Homo sapiens (human)
negative regulation of calcidiol 1-monooxygenase activity	Nuclear factor NF-kappa-B p105 subunit	Homo sapiens (human)
negative regulation of vitamin D biosynthetic process	Nuclear factor NF-kappa-B p105 subunit	Homo sapiens (human)
negative regulation of cholesterol transport	Nuclear factor NF-kappa-B p105 subunit	Homo sapiens (human)
negative regulation of interleukin-12 production	Nuclear factor NF-kappa-B p105 subunit	Homo sapiens (human)
response to muscle stretch	Nuclear factor NF-kappa-B p105 subunit	Homo sapiens (human)
non-canonical NF-kappaB signal transduction	Nuclear factor NF-kappa-B p105 subunit	Homo sapiens (human)
negative regulation of apoptotic process	Nuclear factor NF-kappa-B p105 subunit	Homo sapiens (human)
positive regulation of DNA-templated transcription	Nuclear factor NF-kappa-B p105 subunit	Homo sapiens (human)
positive regulation of transcription by RNA polymerase II	Nuclear factor NF-kappa-B p105 subunit	Homo sapiens (human)
negative regulation of inflammatory response	Nuclear factor NF-kappa-B p105 subunit	Homo sapiens (human)
B cell receptor signaling pathway	Nuclear factor NF-kappa-B p105 subunit	Homo sapiens (human)
negative regulation of protein metabolic process	Nuclear factor NF-kappa-B p105 subunit	Homo sapiens (human)
mammary gland involution	Nuclear factor NF-kappa-B p105 subunit	Homo sapiens (human)
positive regulation of transcription initiation by RNA polymerase II	Nuclear factor NF-kappa-B p105 subunit	Homo sapiens (human)
cellular response to mechanical stimulus	Nuclear factor NF-kappa-B p105 subunit	Homo sapiens (human)
cellular response to nicotine	Nuclear factor NF-kappa-B p105 subunit	Homo sapiens (human)
cellular response to interleukin-1	Nuclear factor NF-kappa-B p105 subunit	Homo sapiens (human)
cellular response to interleukin-6	Nuclear factor NF-kappa-B p105 subunit	Homo sapiens (human)
cellular response to tumor necrosis factor	Nuclear factor NF-kappa-B p105 subunit	Homo sapiens (human)
cellular response to dsRNA	Nuclear factor NF-kappa-B p105 subunit	Homo sapiens (human)
positive regulation of canonical Wnt signaling pathway	Nuclear factor NF-kappa-B p105 subunit	Homo sapiens (human)
cellular response to interleukin-17	Nuclear factor NF-kappa-B p105 subunit	Homo sapiens (human)
cellular response to virus	Nuclear factor NF-kappa-B p105 subunit	Homo sapiens (human)
antibacterial innate immune response	Nuclear factor NF-kappa-B p105 subunit	Homo sapiens (human)
positive regulation of hyaluronan biosynthetic process	Nuclear factor NF-kappa-B p105 subunit	Homo sapiens (human)
cellular response to angiotensin	Nuclear factor NF-kappa-B p105 subunit	Homo sapiens (human)
positive regulation of miRNA metabolic process	Nuclear factor NF-kappa-B p105 subunit	Homo sapiens (human)
cellular response to stress	Nuclear factor NF-kappa-B p105 subunit	Homo sapiens (human)
innate immune response	Nuclear factor NF-kappa-B p105 subunit	Homo sapiens (human)
response to cytokine	Nuclear factor NF-kappa-B p105 subunit	Homo sapiens (human)
osteoblast differentiation	10 kDa heat shock protein, mitochondrial	Homo sapiens (human)
protein folding	10 kDa heat shock protein, mitochondrial	Homo sapiens (human)
activation of cysteine-type endopeptidase activity involved in apoptotic process	10 kDa heat shock protein, mitochondrial	Homo sapiens (human)
response to unfolded protein	10 kDa heat shock protein, mitochondrial	Homo sapiens (human)
chaperone cofactor-dependent protein refolding	10 kDa heat shock protein, mitochondrial	Homo sapiens (human)
chemotaxis	Ectonucleotide pyrophosphatase/phosphodiesterase family member 2	Homo sapiens (human)
immune response	Ectonucleotide pyrophosphatase/phosphodiesterase family member 2	Homo sapiens (human)
phospholipid catabolic process	Ectonucleotide pyrophosphatase/phosphodiesterase family member 2	Homo sapiens (human)
positive regulation of epithelial cell migration	Ectonucleotide pyrophosphatase/phosphodiesterase family member 2	Homo sapiens (human)
vesicle-mediated transport	Ectonucleotide pyrophosphatase/phosphodiesterase family member 2	Homo sapiens (human)
sphingolipid catabolic process	Ectonucleotide pyrophosphatase/phosphodiesterase family member 2	Homo sapiens (human)
regulation of cell migration	Ectonucleotide pyrophosphatase/phosphodiesterase family member 2	Homo sapiens (human)
phosphatidylcholine catabolic process	Ectonucleotide pyrophosphatase/phosphodiesterase family member 2	Homo sapiens (human)
cell motility	Ectonucleotide pyrophosphatase/phosphodiesterase family member 2	Homo sapiens (human)
positive regulation of peptidyl-tyrosine phosphorylation	Ectonucleotide pyrophosphatase/phosphodiesterase family member 2	Homo sapiens (human)
positive regulation of lamellipodium morphogenesis	Ectonucleotide pyrophosphatase/phosphodiesterase family member 2	Homo sapiens (human)
sulfur amino acid catabolic process	Thiosulfate sulfurtransferase	Homo sapiens (human)
cyanate catabolic process	Thiosulfate sulfurtransferase	Homo sapiens (human)
epithelial cell differentiation	Thiosulfate sulfurtransferase	Homo sapiens (human)
rRNA import into mitochondrion	Thiosulfate sulfurtransferase	Homo sapiens (human)
rRNA transport	Thiosulfate sulfurtransferase	Homo sapiens (human)
cell population proliferation	ATPase family AAA domain-containing protein 5	Homo sapiens (human)
positive regulation of B cell proliferation	ATPase family AAA domain-containing protein 5	Homo sapiens (human)
nuclear DNA replication	ATPase family AAA domain-containing protein 5	Homo sapiens (human)
signal transduction in response to DNA damage	ATPase family AAA domain-containing protein 5	Homo sapiens (human)
intrinsic apoptotic signaling pathway in response to DNA damage by p53 class mediator	ATPase family AAA domain-containing protein 5	Homo sapiens (human)
isotype switching	ATPase family AAA domain-containing protein 5	Homo sapiens (human)
positive regulation of DNA replication	ATPase family AAA domain-containing protein 5	Homo sapiens (human)
positive regulation of isotype switching to IgG isotypes	ATPase family AAA domain-containing protein 5	Homo sapiens (human)
DNA clamp unloading	ATPase family AAA domain-containing protein 5	Homo sapiens (human)
regulation of mitotic cell cycle phase transition	ATPase family AAA domain-containing protein 5	Homo sapiens (human)
negative regulation of intrinsic apoptotic signaling pathway in response to DNA damage by p53 class mediator	ATPase family AAA domain-containing protein 5	Homo sapiens (human)
positive regulation of cell cycle G2/M phase transition	ATPase family AAA domain-containing protein 5	Homo sapiens (human)
negative regulation of receptor internalization	Ataxin-2	Homo sapiens (human)
regulation of translation	Ataxin-2	Homo sapiens (human)
RNA metabolic process	Ataxin-2	Homo sapiens (human)
P-body assembly	Ataxin-2	Homo sapiens (human)
stress granule assembly	Ataxin-2	Homo sapiens (human)
RNA transport	Ataxin-2	Homo sapiens (human)
[Information is prepared from geneontology information from the June-17-2024 release]

Process	via Protein(s)	Taxonomy
oxygen binding	Albumin	Homo sapiens (human)
DNA binding	Albumin	Homo sapiens (human)
fatty acid binding	Albumin	Homo sapiens (human)
copper ion binding	Albumin	Homo sapiens (human)
protein binding	Albumin	Homo sapiens (human)
toxic substance binding	Albumin	Homo sapiens (human)
antioxidant activity	Albumin	Homo sapiens (human)
pyridoxal phosphate binding	Albumin	Homo sapiens (human)
identical protein binding	Albumin	Homo sapiens (human)
protein-folding chaperone binding	Albumin	Homo sapiens (human)
exogenous protein binding	Albumin	Homo sapiens (human)
enterobactin binding	Albumin	Homo sapiens (human)
magnesium ion binding	60 kDa chaperonin	Escherichia coli K-12
protein binding	60 kDa chaperonin	Escherichia coli K-12
ATP binding	60 kDa chaperonin	Escherichia coli K-12
isomerase activity	60 kDa chaperonin	Escherichia coli K-12
ATP hydrolysis activity	60 kDa chaperonin	Escherichia coli K-12
identical protein binding	60 kDa chaperonin	Escherichia coli K-12
unfolded protein binding	60 kDa chaperonin	Escherichia coli K-12
ATP-dependent protein folding chaperone	60 kDa chaperonin	Escherichia coli K-12
lipopolysaccharide binding	60 kDa heat shock protein, mitochondrial	Homo sapiens (human)
p53 binding	60 kDa heat shock protein, mitochondrial	Homo sapiens (human)
DNA replication origin binding	60 kDa heat shock protein, mitochondrial	Homo sapiens (human)
single-stranded DNA binding	60 kDa heat shock protein, mitochondrial	Homo sapiens (human)
RNA binding	60 kDa heat shock protein, mitochondrial	Homo sapiens (human)
double-stranded RNA binding	60 kDa heat shock protein, mitochondrial	Homo sapiens (human)
protein binding	60 kDa heat shock protein, mitochondrial	Homo sapiens (human)
ATP binding	60 kDa heat shock protein, mitochondrial	Homo sapiens (human)
high-density lipoprotein particle binding	60 kDa heat shock protein, mitochondrial	Homo sapiens (human)
isomerase activity	60 kDa heat shock protein, mitochondrial	Homo sapiens (human)
ATP hydrolysis activity	60 kDa heat shock protein, mitochondrial	Homo sapiens (human)
enzyme binding	60 kDa heat shock protein, mitochondrial	Homo sapiens (human)
ubiquitin protein ligase binding	60 kDa heat shock protein, mitochondrial	Homo sapiens (human)
apolipoprotein binding	60 kDa heat shock protein, mitochondrial	Homo sapiens (human)
apolipoprotein A-I binding	60 kDa heat shock protein, mitochondrial	Homo sapiens (human)
unfolded protein binding	60 kDa heat shock protein, mitochondrial	Homo sapiens (human)
protein-folding chaperone binding	60 kDa heat shock protein, mitochondrial	Homo sapiens (human)
ATP-dependent protein folding chaperone	60 kDa heat shock protein, mitochondrial	Homo sapiens (human)
RNA binding	Tyrosine-protein phosphatase non-receptor type 1	Homo sapiens (human)
protein tyrosine phosphatase activity	Tyrosine-protein phosphatase non-receptor type 1	Homo sapiens (human)
insulin receptor binding	Tyrosine-protein phosphatase non-receptor type 1	Homo sapiens (human)
protein binding	Tyrosine-protein phosphatase non-receptor type 1	Homo sapiens (human)
zinc ion binding	Tyrosine-protein phosphatase non-receptor type 1	Homo sapiens (human)
enzyme binding	Tyrosine-protein phosphatase non-receptor type 1	Homo sapiens (human)
protein kinase binding	Tyrosine-protein phosphatase non-receptor type 1	Homo sapiens (human)
receptor tyrosine kinase binding	Tyrosine-protein phosphatase non-receptor type 1	Homo sapiens (human)
cadherin binding	Tyrosine-protein phosphatase non-receptor type 1	Homo sapiens (human)
ephrin receptor binding	Tyrosine-protein phosphatase non-receptor type 1	Homo sapiens (human)
protein phosphatase 2A binding	Tyrosine-protein phosphatase non-receptor type 1	Homo sapiens (human)
non-membrane spanning protein tyrosine phosphatase activity	Tyrosine-protein phosphatase non-receptor type 1	Homo sapiens (human)
transcription cis-regulatory region binding	Nuclear factor NF-kappa-B p105 subunit	Homo sapiens (human)
RNA polymerase II transcription regulatory region sequence-specific DNA binding	Nuclear factor NF-kappa-B p105 subunit	Homo sapiens (human)
RNA polymerase II cis-regulatory region sequence-specific DNA binding	Nuclear factor NF-kappa-B p105 subunit	Homo sapiens (human)
DNA-binding transcription factor activity, RNA polymerase II-specific	Nuclear factor NF-kappa-B p105 subunit	Homo sapiens (human)
DNA-binding transcription repressor activity, RNA polymerase II-specific	Nuclear factor NF-kappa-B p105 subunit	Homo sapiens (human)
DNA-binding transcription activator activity, RNA polymerase II-specific	Nuclear factor NF-kappa-B p105 subunit	Homo sapiens (human)
chromatin binding	Nuclear factor NF-kappa-B p105 subunit	Homo sapiens (human)
DNA-binding transcription factor activity	Nuclear factor NF-kappa-B p105 subunit	Homo sapiens (human)
transcription coregulator activity	Nuclear factor NF-kappa-B p105 subunit	Homo sapiens (human)
protein binding	Nuclear factor NF-kappa-B p105 subunit	Homo sapiens (human)
identical protein binding	Nuclear factor NF-kappa-B p105 subunit	Homo sapiens (human)
actinin binding	Nuclear factor NF-kappa-B p105 subunit	Homo sapiens (human)
RNA binding	10 kDa heat shock protein, mitochondrial	Homo sapiens (human)
protein binding	10 kDa heat shock protein, mitochondrial	Homo sapiens (human)
ATP binding	10 kDa heat shock protein, mitochondrial	Homo sapiens (human)
protein folding chaperone	10 kDa heat shock protein, mitochondrial	Homo sapiens (human)
unfolded protein binding	10 kDa heat shock protein, mitochondrial	Homo sapiens (human)
protein-folding chaperone binding	10 kDa heat shock protein, mitochondrial	Homo sapiens (human)
metal ion binding	10 kDa heat shock protein, mitochondrial	Homo sapiens (human)
nucleic acid binding	Ectonucleotide pyrophosphatase/phosphodiesterase family member 2	Homo sapiens (human)
lysophospholipase activity	Ectonucleotide pyrophosphatase/phosphodiesterase family member 2	Homo sapiens (human)
scavenger receptor activity	Ectonucleotide pyrophosphatase/phosphodiesterase family member 2	Homo sapiens (human)
calcium ion binding	Ectonucleotide pyrophosphatase/phosphodiesterase family member 2	Homo sapiens (human)
zinc ion binding	Ectonucleotide pyrophosphatase/phosphodiesterase family member 2	Homo sapiens (human)
hydrolase activity	Ectonucleotide pyrophosphatase/phosphodiesterase family member 2	Homo sapiens (human)
polysaccharide binding	Ectonucleotide pyrophosphatase/phosphodiesterase family member 2	Homo sapiens (human)
alkylglycerophosphoethanolamine phosphodiesterase activity	Ectonucleotide pyrophosphatase/phosphodiesterase family member 2	Homo sapiens (human)
phosphodiesterase I activity	Ectonucleotide pyrophosphatase/phosphodiesterase family member 2	Homo sapiens (human)
thiosulfate sulfurtransferase activity	Thiosulfate sulfurtransferase	Homo sapiens (human)
5S rRNA binding	Thiosulfate sulfurtransferase	Homo sapiens (human)
3-mercaptopyruvate sulfurtransferase activity	Thiosulfate sulfurtransferase	Homo sapiens (human)
protein binding	ATPase family AAA domain-containing protein 5	Homo sapiens (human)
ATP binding	ATPase family AAA domain-containing protein 5	Homo sapiens (human)
ATP hydrolysis activity	ATPase family AAA domain-containing protein 5	Homo sapiens (human)
DNA clamp unloader activity	ATPase family AAA domain-containing protein 5	Homo sapiens (human)
DNA binding	ATPase family AAA domain-containing protein 5	Homo sapiens (human)
RNA binding	Ataxin-2	Homo sapiens (human)
epidermal growth factor receptor binding	Ataxin-2	Homo sapiens (human)
protein binding	Ataxin-2	Homo sapiens (human)
mRNA binding	Ataxin-2	Homo sapiens (human)
[Information is prepared from geneontology information from the June-17-2024 release]

Process	via Protein(s)	Taxonomy
extracellular region	Albumin	Homo sapiens (human)
extracellular space	Albumin	Homo sapiens (human)
nucleus	Albumin	Homo sapiens (human)
endoplasmic reticulum	Albumin	Homo sapiens (human)
endoplasmic reticulum lumen	Albumin	Homo sapiens (human)
Golgi apparatus	Albumin	Homo sapiens (human)
platelet alpha granule lumen	Albumin	Homo sapiens (human)
extracellular exosome	Albumin	Homo sapiens (human)
blood microparticle	Albumin	Homo sapiens (human)
protein-containing complex	Albumin	Homo sapiens (human)
cytoplasm	Albumin	Homo sapiens (human)
cytoplasm	60 kDa chaperonin	Escherichia coli K-12
cytosol	60 kDa chaperonin	Escherichia coli K-12
membrane	60 kDa chaperonin	Escherichia coli K-12
GroEL-GroES complex	60 kDa chaperonin	Escherichia coli K-12
mitochondrial matrix	60 kDa heat shock protein, mitochondrial	Homo sapiens (human)
extracellular space	60 kDa heat shock protein, mitochondrial	Homo sapiens (human)
cytoplasm	60 kDa heat shock protein, mitochondrial	Homo sapiens (human)
mitochondrion	60 kDa heat shock protein, mitochondrial	Homo sapiens (human)
mitochondrial inner membrane	60 kDa heat shock protein, mitochondrial	Homo sapiens (human)
mitochondrial matrix	60 kDa heat shock protein, mitochondrial	Homo sapiens (human)
early endosome	60 kDa heat shock protein, mitochondrial	Homo sapiens (human)
cytosol	60 kDa heat shock protein, mitochondrial	Homo sapiens (human)
plasma membrane	60 kDa heat shock protein, mitochondrial	Homo sapiens (human)
clathrin-coated pit	60 kDa heat shock protein, mitochondrial	Homo sapiens (human)
cell surface	60 kDa heat shock protein, mitochondrial	Homo sapiens (human)
membrane	60 kDa heat shock protein, mitochondrial	Homo sapiens (human)
coated vesicle	60 kDa heat shock protein, mitochondrial	Homo sapiens (human)
secretory granule	60 kDa heat shock protein, mitochondrial	Homo sapiens (human)
extracellular exosome	60 kDa heat shock protein, mitochondrial	Homo sapiens (human)
sperm midpiece	60 kDa heat shock protein, mitochondrial	Homo sapiens (human)
sperm plasma membrane	60 kDa heat shock protein, mitochondrial	Homo sapiens (human)
migrasome	60 kDa heat shock protein, mitochondrial	Homo sapiens (human)
protein-containing complex	60 kDa heat shock protein, mitochondrial	Homo sapiens (human)
lipopolysaccharide receptor complex	60 kDa heat shock protein, mitochondrial	Homo sapiens (human)
mitochondrial inner membrane	60 kDa heat shock protein, mitochondrial	Homo sapiens (human)
plasma membrane	Tyrosine-protein phosphatase non-receptor type 1	Homo sapiens (human)
cytoplasm	Tyrosine-protein phosphatase non-receptor type 1	Homo sapiens (human)
mitochondrial matrix	Tyrosine-protein phosphatase non-receptor type 1	Homo sapiens (human)
early endosome	Tyrosine-protein phosphatase non-receptor type 1	Homo sapiens (human)
endoplasmic reticulum	Tyrosine-protein phosphatase non-receptor type 1	Homo sapiens (human)
cytosol	Tyrosine-protein phosphatase non-receptor type 1	Homo sapiens (human)
mitochondrial crista	Tyrosine-protein phosphatase non-receptor type 1	Homo sapiens (human)
endosome lumen	Tyrosine-protein phosphatase non-receptor type 1	Homo sapiens (human)
sorting endosome	Tyrosine-protein phosphatase non-receptor type 1	Homo sapiens (human)
cytoplasmic side of endoplasmic reticulum membrane	Tyrosine-protein phosphatase non-receptor type 1	Homo sapiens (human)
protein-containing complex	Tyrosine-protein phosphatase non-receptor type 1	Homo sapiens (human)
endoplasmic reticulum	Tyrosine-protein phosphatase non-receptor type 1	Homo sapiens (human)
cytoplasm	Tyrosine-protein phosphatase non-receptor type 1	Homo sapiens (human)
early endosome	Tyrosine-protein phosphatase non-receptor type 1	Homo sapiens (human)
extracellular region	Nuclear factor NF-kappa-B p105 subunit	Homo sapiens (human)
nucleus	Nuclear factor NF-kappa-B p105 subunit	Homo sapiens (human)
nucleoplasm	Nuclear factor NF-kappa-B p105 subunit	Homo sapiens (human)
cytoplasm	Nuclear factor NF-kappa-B p105 subunit	Homo sapiens (human)
mitochondrion	Nuclear factor NF-kappa-B p105 subunit	Homo sapiens (human)
cytosol	Nuclear factor NF-kappa-B p105 subunit	Homo sapiens (human)
secretory granule lumen	Nuclear factor NF-kappa-B p105 subunit	Homo sapiens (human)
specific granule lumen	Nuclear factor NF-kappa-B p105 subunit	Homo sapiens (human)
chromatin	Nuclear factor NF-kappa-B p105 subunit	Homo sapiens (human)
transcription regulator complex	Nuclear factor NF-kappa-B p105 subunit	Homo sapiens (human)
I-kappaB/NF-kappaB complex	Nuclear factor NF-kappa-B p105 subunit	Homo sapiens (human)
nucleus	Nuclear factor NF-kappa-B p105 subunit	Homo sapiens (human)
cytoplasm	Nuclear factor NF-kappa-B p105 subunit	Homo sapiens (human)
NF-kappaB p50/p65 complex	Nuclear factor NF-kappa-B p105 subunit	Homo sapiens (human)
mitochondrion	10 kDa heat shock protein, mitochondrial	Homo sapiens (human)
membrane	10 kDa heat shock protein, mitochondrial	Homo sapiens (human)
extracellular exosome	10 kDa heat shock protein, mitochondrial	Homo sapiens (human)
mitochondrial matrix	10 kDa heat shock protein, mitochondrial	Homo sapiens (human)
extracellular space	Ectonucleotide pyrophosphatase/phosphodiesterase family member 2	Homo sapiens (human)
plasma membrane	Ectonucleotide pyrophosphatase/phosphodiesterase family member 2	Homo sapiens (human)
extracellular space	Ectonucleotide pyrophosphatase/phosphodiesterase family member 2	Homo sapiens (human)
extracellular space	Thiosulfate sulfurtransferase	Homo sapiens (human)
mitochondrion	Thiosulfate sulfurtransferase	Homo sapiens (human)
mitochondrial matrix	Thiosulfate sulfurtransferase	Homo sapiens (human)
mitochondrion	Thiosulfate sulfurtransferase	Homo sapiens (human)
Elg1 RFC-like complex	ATPase family AAA domain-containing protein 5	Homo sapiens (human)
nucleus	ATPase family AAA domain-containing protein 5	Homo sapiens (human)
cytoplasm	Ataxin-2	Homo sapiens (human)
Golgi apparatus	Ataxin-2	Homo sapiens (human)
trans-Golgi network	Ataxin-2	Homo sapiens (human)
cytosol	Ataxin-2	Homo sapiens (human)
cytoplasmic stress granule	Ataxin-2	Homo sapiens (human)
membrane	Ataxin-2	Homo sapiens (human)
perinuclear region of cytoplasm	Ataxin-2	Homo sapiens (human)
ribonucleoprotein complex	Ataxin-2	Homo sapiens (human)
cytoplasmic stress granule	Ataxin-2	Homo sapiens (human)
[Information is prepared from geneontology information from the June-17-2024 release]

Bioassays (64)

Assay ID	Title	Year	Journal	Article
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.
AID651635	Viability Counterscreen for Primary qHTS for Inhibitors of ATXN expression
AID1347157	Confirmatory screen GU Rhodamine qHTS for Zika virus inhibitors qHTS	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.
AID1347164	384 well plate NINDS Rhodamine confirmatory 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.
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.
AID1347156	DAPI mCherry counterscreen 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.
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.
AID1347163	384 well plate NINDS AMC confirmatory 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.
AID1347149	Furin counterscreen 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.
AID1347158	ZIKV-mCherry secondary 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.
AID1347169	Tertiary RLuc qRT-PCR qHTS assay 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.
AID1347161	Confirmatory screen NINDS Rhodamine 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.
AID1758625	Binding affinity to human serum albumin assessed as dissociation constant by fluorescence emission spectrophotometric analysis	2021	European journal of medicinal chemistry, May-05, Volume: 217	Using porphyrins as albumin-binding molecules to enhance antitumor efficacies and reduce systemic toxicities of antimicrobial peptides.
AID472464	Inhibition of human recombinant C-terminal FLAG-tagged autotaxin expressed in baculovirus-infected Sf9 cells assessed as FS-3 hydrolysis at 30 uM	2010	Journal of medicinal chemistry, Apr-22, Volume: 53, Issue:8	Pharmacophore development and application toward the identification of novel, small-molecule autotaxin inhibitors.
AID328184	Inhibition of luciferase Photuris pennsylvanica by Promega Kinase-Glo assay	2008	Journal of medicinal chemistry, Apr-24, Volume: 51, Issue:8	Characterization of chemical libraries for luciferase inhibitory activity.
AID328181	Inhibition of Photinus pyralis luciferase by PK-Light assay	2008	Journal of medicinal chemistry, Apr-24, Volume: 51, Issue:8	Characterization of chemical libraries for luciferase inhibitory activity.
AID472460	Inhibition of human recombinant C-terminal FLAG-tagged autotaxin expressed in baculovirus-infected Sf9 cells assessed as FS-3 hydrolysis at 0.3 uM	2010	Journal of medicinal chemistry, Apr-22, Volume: 53, Issue:8	Pharmacophore development and application toward the identification of novel, small-molecule autotaxin inhibitors.
AID472461	Inhibition of human recombinant C-terminal FLAG-tagged autotaxin expressed in baculovirus-infected Sf9 cells assessed as FS-3 hydrolysis at 1 uM	2010	Journal of medicinal chemistry, Apr-22, Volume: 53, Issue:8	Pharmacophore development and application toward the identification of novel, small-molecule autotaxin inhibitors.
AID1126820	Inhibition of rat brain VGLUT assessed as inhibition of [3H]glutamate uptake into vesicles after 10 mins by scintillation spectrophotometry	2014	European journal of medicinal chemistry, May-06, Volume: 78	Design, synthesis and biological evaluation of small-azo-dyes as potent Vesicular Glutamate Transporters inhibitors.
AID328193	Inhibition of Photuris pyralis luciferase at 20 uM assessed as quenching of luminescence	2008	Journal of medicinal chemistry, Apr-24, Volume: 51, Issue:8	Characterization of chemical libraries for luciferase inhibitory activity.
AID1594142	Selectivity index, ratio of IC50 for inhibition of native rhodanese (unknown origin) to IC50 for inhibition of Escherichia coli GroEL expressed in Escherichia coli DH5alpha/Escherichia coli GroES expressed in Escherichia coli BL21 (DE3) assessed as reduct	2019	Bioorganic & medicinal chemistry letters, 05-01, Volume: 29, Issue:9	HSP60/10 chaperonin systems are inhibited by a variety of approved drugs, natural products, and known bioactive molecules.
AID1594135	Inhibition of native rhodanese (unknown origin) assessed as reduction in rhodanese enzyme activity after 45 mins by Fe(SCN)3 dye based spectrometric analysis	2019	Bioorganic & medicinal chemistry letters, 05-01, Volume: 29, Issue:9	HSP60/10 chaperonin systems are inhibited by a variety of approved drugs, natural products, and known bioactive molecules.
AID157217	Inhibition of human PTPase 1B	2004	Bioorganic & medicinal chemistry letters, Apr-19, Volume: 14, Issue:8	Evans Blue and other dyes as protein tyrosine phosphatase inhibitors.
AID1594134	Inhibition of native soluble pig heart MDH assessed as reduction in MDH enzyme activity using sodium mesoxalate as substrate and NADH by malachite green dye based spectrometric analysis	2019	Bioorganic & medicinal chemistry letters, 05-01, Volume: 29, Issue:9	HSP60/10 chaperonin systems are inhibited by a variety of approved drugs, natural products, and known bioactive molecules.
AID472459	Inhibition of human recombinant C-terminal FLAG-tagged autotaxin expressed in baculovirus-infected Sf9 cells assessed as FS-3 hydrolysis at 0.1 uM	2010	Journal of medicinal chemistry, Apr-22, Volume: 53, Issue:8	Pharmacophore development and application toward the identification of novel, small-molecule autotaxin inhibitors.
AID328186	Inhibition of Photinus pyralis luciferase by BrightGlo reporter gene assay	2008	Journal of medicinal chemistry, Apr-24, Volume: 51, Issue:8	Characterization of chemical libraries for luciferase inhibitory activity.
AID99424	Inhibition of human Leukocyte Antigen Related(LAR) protein tyrosine phosphatase D1	2004	Bioorganic & medicinal chemistry letters, Apr-19, Volume: 14, Issue:8	Evans Blue and other dyes as protein tyrosine phosphatase inhibitors.
AID1594138	Selectivity index, ratio of IC50 for inhibition of native soluble pig heart MDH to IC50 for inhibition of Escherichia coli GroEL expressed in Escherichia coli DH5alpha/Escherichia coli GroES expressed in Escherichia coli BL21 (DE3) assessed as reduction i	2019	Bioorganic & medicinal chemistry letters, 05-01, Volume: 29, Issue:9	HSP60/10 chaperonin systems are inhibited by a variety of approved drugs, natural products, and known bioactive molecules.
AID328185	Inhibition of Photinus pyralis luciferase by Steady-Glo reporter gene assay	2008	Journal of medicinal chemistry, Apr-24, Volume: 51, Issue:8	Characterization of chemical libraries for luciferase inhibitory activity.
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.
AID216240	Evaluated for competitive inhibition against Vesicular glutamate transporter (VGLUT), and Ki value was reported.	2002	Journal of medicinal chemistry, May-23, Volume: 45, Issue:11	Synthesis and in vitro pharmacology of substituted quinoline-2,4-dicarboxylic acids as inhibitors of vesicular glutamate transport.
AID1808020	Inhibition of porcine heart malate dehydrogenase preincubated for 5 min followed by nicotinamide adenine dinucleotide addition and monitered for 90 sec by spectrophotometric method	2021	Journal of medicinal chemistry, 12-09, Volume: 64, Issue:23	Colloidal Aggregators in Biochemical SARS-CoV-2 Repurposing Screens.
AID1692616	Inhibition of ecto-ATPase in Wistar rat cardiac synaptosomes assessed as reduction in ATP hydrolysis at 100 uM preincubated for 10 min followed by ATP addition and measured after 6 mins relative to control	2020	Journal of medicinal chemistry, 11-25, Volume: 63, Issue:22	Targeting Metabolism of Extracellular Nucleotides via Inhibition of Ectonucleotidases CD73 and CD39.
AID328194	Inhibition of Renilla reniformis luciferase at 20 uM assessed as quenching of luminescence	2008	Journal of medicinal chemistry, Apr-24, Volume: 51, Issue:8	Characterization of chemical libraries for luciferase inhibitory activity.
AID1808021	Inhibition of porcine heart malate dehydrogenase assessed as reduction in enzyme inhibition at 3 times IC50 preincubated for 5 min followed by nicotinamide adenine dinucleotide addition and monitered for 90 sec in presence of 0.01% Triton-X100 by spectrop	2021	Journal of medicinal chemistry, 12-09, Volume: 64, Issue:23	Colloidal Aggregators in Biochemical SARS-CoV-2 Repurposing Screens.
AID1594145	Inhibition of Escherichia coli GroEL expressed in Escherichia coli DH5alpha/Escherichia coli GroES expressed in Escherichia coli BL21 (DE3) assessed as reduction in GroEL/GroES-mediated denatured rhodanese refolding by measuring rhodanese enzyme activity	2019	Bioorganic & medicinal chemistry letters, 05-01, Volume: 29, Issue:9	HSP60/10 chaperonin systems are inhibited by a variety of approved drugs, natural products, and known bioactive molecules.
AID328187	Inhibition of Renilla reniformis luciferase	2008	Journal of medicinal chemistry, Apr-24, Volume: 51, Issue:8	Characterization of chemical libraries for luciferase inhibitory activity.
AID472450	Inhibition of human recombinant C-terminal FLAG-tagged autotaxin expressed in baculovirus-infected Sf9 cells assessed as FS-3 hydrolysis	2010	Journal of medicinal chemistry, Apr-22, Volume: 53, Issue:8	Pharmacophore development and application toward the identification of novel, small-molecule autotaxin inhibitors.
AID472454	Inhibition of human recombinant C-terminal FLAG-tagged NPP7 expressed in baculovirus-infected Sf9 cells assessed as pNPPC hydrolysis at 10 uM relative to control	2010	Journal of medicinal chemistry, Apr-22, Volume: 53, Issue:8	Pharmacophore development and application toward the identification of novel, small-molecule autotaxin inhibitors.
AID1594143	Selectivity index, ratio of IC50 for inhibition of native rhodanese (unknown origin) to IC50 for inhibition of Escherichia coli GroEL expressed in Escherichia coliDH5alpha/Escherichia coli GroES expressed in Escherichia coli BL21 (DE3) assessed as reducti	2019	Bioorganic & medicinal chemistry letters, 05-01, Volume: 29, Issue:9	HSP60/10 chaperonin systems are inhibited by a variety of approved drugs, natural products, and known bioactive molecules.
AID472451	Competitive inhibition of human recombinant C-terminal FLAG-tagged autotaxin expressed in baculovirus-infected Sf9 cells assessed as FS-3 hydrolysis by Michaelis-Menten method	2010	Journal of medicinal chemistry, Apr-22, Volume: 53, Issue:8	Pharmacophore development and application toward the identification of novel, small-molecule autotaxin inhibitors.
AID1594139	Inhibition of human N-terminal octa-His-tagged HSP60 expressed in Escherichia coli Rosetta(DE3) pLysS/human HSP10 expressed in Escherichia coli Rosetta(DE3) assessed as reduction in HSP60/HSP10-mediated denatured MDH refolding by measuring MDH enzyme acti	2019	Bioorganic & medicinal chemistry letters, 05-01, Volume: 29, Issue:9	HSP60/10 chaperonin systems are inhibited by a variety of approved drugs, natural products, and known bioactive molecules.
AID1594144	Inhibition of Escherichia coli GroEL expressed in Escherichia coliDH5alpha/Escherichia coli GroES expressed in Escherichia coli BL21 (DE3) assessed as reduction in GroEL/GroES-mediated denatured soluble pig heart MDH refolding by measuring MDH enzyme acti	2019	Bioorganic & medicinal chemistry letters, 05-01, Volume: 29, Issue:9	HSP60/10 chaperonin systems are inhibited by a variety of approved drugs, natural products, and known bioactive molecules.
AID1594136	Selectivity index, ratio of IC50 for inhibition of native soluble pig heart MDH to IC50 for inhibition of Escherichia coli GroEL expressed in Escherichia coliDH5alpha/Escherichia coli GroES expressed in Escherichia coli BL21 (DE3) assessed as reduction in	2019	Bioorganic & medicinal chemistry letters, 05-01, Volume: 29, Issue:9	HSP60/10 chaperonin systems are inhibited by a variety of approved drugs, natural products, and known bioactive molecules.
AID32219	Minimum inhibitory concentration of the compound, achieving a complete protection of ATH8 cells against the cytopathic effect of HTLV-III / LAV reverse transcriptase	1986	Journal of medicinal chemistry, Sep, Volume: 29, Issue:9	Chemotherapeutic approaches to the treatment of the acquired immune deficiency syndrome (AIDS).
AID588212	Literature-mined compound from Fourches et al multi-species drug-induced liver injury (DILI) dataset, effect in rodents	2010	Chemical research in toxicology, Jan, Volume: 23, Issue:1	Cheminformatics analysis of assertions mined from literature that describe drug-induced liver injury in different species.
AID1594141	Inhibition of Escherichia coli GroEL expressed in Escherichia coliDH5alpha/Escherichia coli GroES expressed in Escherichia coli BL21 (DE3) assessed as reduction in GroEL/GroES-mediated denatured soluble pig heart MDH refolding by measuring MDH enzyme acti	2019	Bioorganic & medicinal chemistry letters, 05-01, Volume: 29, Issue:9	HSP60/10 chaperonin systems are inhibited by a variety of approved drugs, natural products, and known bioactive molecules.
AID328183	Inhibition of Photinus pyralis luciferase by Easy lite assay	2008	Journal of medicinal chemistry, Apr-24, Volume: 51, Issue:8	Characterization of chemical libraries for luciferase inhibitory activity.
AID1594140	Inhibition of Escherichia coli GroEL expressed in Escherichia coli DH5alpha/Escherichia coli GroES expressed in Escherichia coli BL21 (DE3) assessed as reduction in GroEL/GroES-mediated denatured rhodanese refolding by measuring rhodanese enzyme activity	2019	Bioorganic & medicinal chemistry letters, 05-01, Volume: 29, Issue:9	HSP60/10 chaperonin systems are inhibited by a variety of approved drugs, natural products, and known bioactive molecules.
AID32220	Selectivity index expressed as ratio of compound concentration required to reduce the growth of normal uninfected ATH8 cells by 50% to the compound concentration (MIC)	1986	Journal of medicinal chemistry, Sep, Volume: 29, Issue:9	Chemotherapeutic approaches to the treatment of the acquired immune deficiency syndrome (AIDS).
AID472463	Inhibition of human recombinant C-terminal FLAG-tagged autotaxin expressed in baculovirus-infected Sf9 cells assessed as FS-3 hydrolysis at 10 uM	2010	Journal of medicinal chemistry, Apr-22, Volume: 53, Issue:8	Pharmacophore development and application toward the identification of novel, small-molecule autotaxin inhibitors.
AID1594137	Inhibition of ATPase activity of Escherichia coli GroEL expressed in Escherichia coliDH5alpha incubated for 60 mins using ATP by spectrometric analysis	2019	Bioorganic & medicinal chemistry letters, 05-01, Volume: 29, Issue:9	HSP60/10 chaperonin systems are inhibited by a variety of approved drugs, natural products, and known bioactive molecules.
AID244292	inhibitory effect on the DNA binding of Nuclear factor kappa B; Active	2004	Bioorganic & medicinal chemistry letters, Dec-20, Volume: 14, Issue:24	Evans Blue is an inhibitor of nuclear factor-kappa B (NF-kappaB)-DNA binding.
AID220230	Inhibitory activity against Saccharomyces cerevisiae Tyrosine phosphatase 1	2004	Bioorganic & medicinal chemistry letters, Apr-19, Volume: 14, Issue:8	Evans Blue and other dyes as protein tyrosine phosphatase inhibitors.
AID1808023	Inhibition of SARS-COV2 main protease using Ac-Abu-Tle-Leu-Gln-AFC as substrate by fluorescence assay	2021	Journal of medicinal chemistry, 12-09, Volume: 64, Issue:23	Colloidal Aggregators in Biochemical SARS-CoV-2 Repurposing Screens.
AID588211	Literature-mined compound from Fourches et al multi-species drug-induced liver injury (DILI) dataset, effect in humans	2010	Chemical research in toxicology, Jan, Volume: 23, Issue:1	Cheminformatics analysis of assertions mined from literature that describe drug-induced liver injury in different species.
AID472458	Inhibition of human recombinant C-terminal FLAG-tagged autotaxin expressed in baculovirus-infected Sf9 cells assessed as FS-3 hydrolysis at 0.03 uM	2010	Journal of medicinal chemistry, Apr-22, Volume: 53, Issue:8	Pharmacophore development and application toward the identification of novel, small-molecule autotaxin inhibitors.
AID472462	Inhibition of human recombinant C-terminal FLAG-tagged autotaxin expressed in baculovirus-infected Sf9 cells assessed as FS-3 hydrolysis at 3 uM	2010	Journal of medicinal chemistry, Apr-22, Volume: 53, Issue:8	Pharmacophore development and application toward the identification of novel, small-molecule autotaxin inhibitors.
AID472449	Inhibition of human recombinant C-terminal FLAG-tagged autotaxin expressed in baculovirus-infected Sf9 cells assessed as FS-3 hydrolysis at 10 uM relative to control	2010	Journal of medicinal chemistry, Apr-22, Volume: 53, Issue:8	Pharmacophore development and application toward the identification of novel, small-molecule autotaxin inhibitors.
AID588213	Literature-mined compound from Fourches et al multi-species drug-induced liver injury (DILI) dataset, effect in non-rodents	2010	Chemical research in toxicology, Jan, Volume: 23, Issue:1	Cheminformatics analysis of assertions mined from literature that describe drug-induced liver injury in different species.
AID472456	Inhibition of human recombinant C-terminal FLAG-tagged autotaxin expressed in baculovirus-infected Sf9 cells assessed as FS-3 hydrolysis at 0.003 uM	2010	Journal of medicinal chemistry, Apr-22, Volume: 53, Issue:8	Pharmacophore development and application toward the identification of novel, small-molecule autotaxin inhibitors.
AID328182	Inhibition of Photinus pyralis luciferase	2008	Journal of medicinal chemistry, Apr-24, Volume: 51, Issue:8	Characterization of chemical libraries for luciferase inhibitory activity.
AID472457	Inhibition of human recombinant C-terminal FLAG-tagged autotaxin expressed in baculovirus-infected Sf9 cells assessed as FS-3 hydrolysis at 0.01 uM	2010	Journal of medicinal chemistry, Apr-22, Volume: 53, Issue:8	Pharmacophore development and application toward the identification of novel, small-molecule autotaxin inhibitors.
AID472453	Inhibition of human recombinant C-terminal FLAG-tagged NPP6 expressed in baculovirus-infected Sf9 cells assessed as pNPPC hydrolysis at 10 uM relative to control	2010	Journal of medicinal chemistry, Apr-22, Volume: 53, Issue:8	Pharmacophore development and application toward the identification of novel, small-molecule autotaxin 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	523 (25.83)	18.7374
1990's	556 (27.46)	18.2507
2000's	487 (24.05)	29.6817
2010's	378 (18.67)	24.3611
2020's	81 (4.00)	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	12 (0.57%)	5.53%
Reviews	14 (0.66%)	6.00%
Case Studies	9 (0.42%)	4.05%
Observational	1 (0.05%)	0.25%
Other	2,083 (98.30%)	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
aurintricarboxylic acid	[no description available]	high	11	0	monohydroxybenzoic acid; quinomethanes; tricarboxylic acid	fluorochrome; histological dye; insulin-like growth factor receptor 1 antagonist
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
suramin	[no description available]	medium	18	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
zalcitabine	[no description available]	medium	2	0	pyrimidine 2',3'-dideoxyribonucleoside	antimetabolite; antiviral drug; HIV-1 reverse transcriptase inhibitor
zidovudine	[no description available]	medium	3	0	azide; pyrimidine 2',3'-dideoxyribonucleoside	antimetabolite; antiviral drug; HIV-1 reverse transcriptase inhibitor
ribavirin	[no description available]	medium	4	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
7-chlorokynurenic acid	[no description available]	medium	1	0	organochlorine compound; quinolinemonocarboxylic acid	neuroprotective agent; NMDA receptor antagonist
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
xanthurenic acid	[no description available]	medium	1	0	dihydroxyquinoline; quinolinemonocarboxylic acid	animal metabolite; iron chelator; metabotropic glutamate receptor agonist; vesicular glutamate transport inhibitor
c.i. direct blue 1	[no description available]	medium	6	0
1-amino-1,3-dicarboxycyclopentane, (trans)-isomer	[no description available]	medium	1	0
fluorescite	[no description available]	medium	1	0	benzoic acids; cyclic ketone; hydroxy monocarboxylic acid; organic heterotricyclic compound; phenols; xanthene dye	fluorescent dye; radioopaque medium
trypan blue	[no description available]	medium	3	0
pamoic acid	[no description available]	medium	1	0	dicarboxylic acid
carmine	[no description available]	medium	2	0
allura red ac dye	[no description available]	medium	2	0
shikonin	[no description available]	medium	2	0	hydroxy-1,4-naphthoquinone
alizarin red s	[no description available]	high	3	0	organic sodium salt; organosulfonate salt	histological dye
pd 98059	[no description available]	medium	1	0	aromatic amine; monomethoxyflavone	EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor; geroprotector
pifithrin	[no description available]	medium	2	0	aromatic ketone
coumarin 7	[no description available]	medium	1	0
6-methyl-2-(phenylethynyl)pyridine	[no description available]	medium	1	0	acetylenic compound; methylpyridines	anxiolytic drug; metabotropic glutamate receptor antagonist
sib 1757	[no description available]	medium	1	0
sib 1893	[no description available]	medium	1	0
su 4312	[no description available]	medium	1	0
acetic acid	[no description available]	medium	7	0	monocarboxylic acid	antimicrobial food preservative; Daphnia magna metabolite; food acidity regulator; protic solvent
acetamide	[no description available]	medium	1	0	acetamides; carboximidic acid; monocarboxylic acid amide; N-acylammonia
adenine	[no description available]	medium	2	0	6-aminopurines; purine nucleobase	Daphnia magna metabolite; Escherichia coli metabolite; human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite
allantoin	[no description available]	medium	2	0	imidazolidine-2,4-dione; ureas	Escherichia coli metabolite; human metabolite; Saccharomyces cerevisiae metabolite; vulnerary
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
betaine	[no description available]	medium	3	0	amino-acid betaine; glycine derivative	fundamental metabolite
carnitine	[no description available]	medium	1	0	amino-acid betaine	human metabolite; mouse metabolite
citric acid, anhydrous	[no description available]	medium	4	0	tricarboxylic acid	antimicrobial agent; chelator; food acidity regulator; fundamental metabolite
salicylic acid	[no description available]	medium	3	0	monohydroxybenzoic acid	algal metabolite; antifungal agent; antiinfective agent; EC 1.11.1.11 (L-ascorbate peroxidase) inhibitor; keratolytic drug; plant hormone; plant metabolite
bupropion	[no description available]	medium	1	0	aromatic ketone; monochlorobenzenes; secondary amino compound	antidepressant; environmental contaminant; xenobiotic
aminocaproic acid	[no description available]	medium	1	0	amino acid zwitterion; epsilon-amino acid; omega-amino fatty acid	antifibrinolytic drug; hematologic agent; metabolite
creatine	[no description available]	medium	2	0	glycine derivative; guanidines; zwitterion	geroprotector; human metabolite; mouse metabolite; neuroprotective agent; nutraceutical
lactic acid	[no description available]	medium	11	0	2-hydroxy monocarboxylic acid	algal metabolite; Daphnia magna metabolite
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
formaldehyde	[no description available]	medium	10	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
glycine	[no description available]	medium	2	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	4	0	alditol; triol	algal metabolite; detergent; Escherichia coli metabolite; geroprotector; human metabolite; mouse metabolite; osmolyte; Saccharomyces cerevisiae metabolite; solvent
glycerol	[no description available]	medium	4	1	alditol; triol	algal metabolite; detergent; Escherichia coli metabolite; geroprotector; human metabolite; mouse metabolite; osmolyte; Saccharomyces cerevisiae metabolite; solvent
hydroquinone	[no description available]	medium	1	0	benzenediol; hydroquinones	antioxidant; carcinogenic agent; cofactor; Escherichia coli metabolite; human xenobiotic metabolite; mouse metabolite; skin lightening agent
inositol	[no description available]	medium	2	0	cyclitol; hexol
niacinamide	[no description available]	medium	4	0	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
niacin	[no description available]	medium	2	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
orotic acid	[no description available]	medium	1	0	pyrimidinemonocarboxylic acid	Escherichia coli metabolite; metabolite; mouse metabolite
4-aminobenzoic acid	[no description available]	medium	1	0	aminobenzoic acid; aromatic amino-acid zwitterion	allergen; Escherichia coli metabolite; plant metabolite
phenol	[no description available]	medium	2	0	phenols	antiseptic drug; disinfectant; human xenobiotic metabolite; mouse metabolite
phenylacetic acid	[no description available]	medium	1	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
pyrazinamide	[no description available]	medium	1	0	monocarboxylic acid amide; N-acylammonia; pyrazines	antitubercular agent; prodrug
pyridoxal phosphate	[no description available]	medium	3	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
pyridoxine	[no description available]	medium	1	0	hydroxymethylpyridine; methylpyridines; monohydroxypyridine; vitamin B6	cofactor; Escherichia coli metabolite; human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite
thiamine	[no description available]	medium	1	0	primary alcohol; vitamin B1	Escherichia coli metabolite; human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite
uracil	[no description available]	medium	1	0	pyrimidine nucleobase; pyrimidone	allergen; Daphnia magna metabolite; Escherichia coli metabolite; human metabolite; mouse metabolite; prodrug; Saccharomyces cerevisiae metabolite
urea	[no description available]	medium	8	0	isourea; monocarboxylic acid amide; one-carbon compound	Daphnia magna metabolite; Escherichia coli metabolite; fertilizer; flour treatment agent; human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite
catechin	[no description available]	medium	1	0	hydroxyflavan
menthol	[no description available]	medium	1	0	p-menthane monoterpenoid; secondary alcohol	volatile oil component
phenytoin	[no description available]	high	3	0	imidazolidine-2,4-dione	anticonvulsant; drug allergen; sodium channel blocker; teratogenic agent
acebutolol	[no description available]	medium	1	0	aromatic amide; ethanolamines; ether; monocarboxylic acid amide; propanolamine; secondary amino compound	anti-arrhythmia drug; antihypertensive agent; beta-adrenergic antagonist; sympathomimetic agent
acetaminophen	[no description available]	medium	2	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
acetazolamide	[no description available]	medium	1	0	monocarboxylic acid amide; sulfonamide; thiadiazoles	anticonvulsant; diuretic; EC 4.2.1.1 (carbonic anhydrase) inhibitor
acetohexamide	[no description available]	medium	1	0	acetophenones; N-sulfonylurea	hypoglycemic agent; insulin secretagogue
acetohydroxamic acid	[no description available]	medium	1	0	acetohydroxamic acids; carbohydroximic acid	algal metabolite; EC 3.5.1.5 (urease) inhibitor
albendazole	[no description available]	medium	2	0	aryl sulfide; benzimidazoles; benzimidazolylcarbamate fungicide; carbamate ester	anthelminthic drug; microtubule-destabilising agent; tubulin modulator
albuterol	[no description available]	medium	10	0	phenols; phenylethanolamines; secondary amino compound	beta-adrenergic agonist; bronchodilator agent; environmental contaminant; xenobiotic
alfuzosin	[no description available]	medium	1	0	monocarboxylic acid amide; quinazolines; tetrahydrofuranol	alpha-adrenergic antagonist; antihypertensive agent; antineoplastic agent
amantadine	[no description available]	medium	2	0	adamantanes; primary aliphatic amine	analgesic; antiparkinson drug; antiviral drug; dopaminergic agent; NMDA receptor antagonist; non-narcotic analgesic
ambroxol	[no description available]	medium	2	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
pimagedine	[no description available]	medium	8	0	guanidines; one-carbon compound	EC 1.14.13.39 (nitric oxide synthase) inhibitor; EC 1.4.3.4 (monoamine oxidase) inhibitor
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
amiodarone	[no description available]	medium	2	0	1-benzofurans; aromatic ketone; organoiodine compound; tertiary amino compound	cardiovascular drug
amitriptyline	[no description available]	medium	3	0	carbotricyclic compound; tertiary amine	adrenergic uptake inhibitor; antidepressant; environmental contaminant; tropomyosin-related kinase B receptor agonist; xenobiotic
amlodipine	[no description available]	medium	1	0	dihydropyridine; ethyl ester; methyl ester; monochlorobenzenes; primary amino compound	antihypertensive agent; calcium channel blocker; vasodilator agent
amobarbital	[no description available]	medium	1	0	barbiturates
amsacrine	[no description available]	medium	1	0	acridines; aromatic ether; sulfonamide	antineoplastic agent; EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor
anastrozole	[no description available]	medium	1	0	nitrile; triazoles	antineoplastic agent; EC 1.14.14.14 (aromatase) inhibitor
anethole trithione	[no description available]	medium	2	0	methoxybenzenes
anthralin	[no description available]	medium	2	0	anthracenes	antipsoriatic
aspirin	[no description available]	high	7	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
atenolol	[no description available]	medium	2	0	ethanolamines; monocarboxylic acid amide; propanolamine	anti-arrhythmia drug; antihypertensive agent; beta-adrenergic antagonist; environmental contaminant; sympatholytic agent; xenobiotic
azathioprine	[no description available]	medium	2	0	aryl sulfide; C-nitro compound; imidazoles; thiopurine	antimetabolite; antineoplastic agent; carcinogenic agent; DNA synthesis inhibitor; hepatotoxic agent; immunosuppressive agent; prodrug
baclofen	[no description available]	medium	1	0	amino acid zwitterion; gamma-amino acid; monocarboxylic acid; monochlorobenzenes; primary amino compound	central nervous system depressant; GABA agonist; muscle relaxant
barbital	[no description available]	medium	2	0	barbiturates	drug allergen
bendazac	[no description available]	medium	1	0	indazoles; monocarboxylic acid	non-steroidal anti-inflammatory drug; radical scavenger
benzbromarone	[no description available]	medium	2	0	1-benzofurans; aromatic ketone	uricosuric drug
bicalutamide	[no description available]	medium	1	0	(trifluoromethyl)benzenes; monocarboxylic acid amide; monofluorobenzenes; nitrile; sulfone; tertiary alcohol
bay h 4502	[no description available]	medium	2	0	biphenyls; imidazoles
bisoprolol	[no description available]	medium	1	0	secondary alcohol; secondary amine	anti-arrhythmia drug; antihypertensive agent; beta-adrenergic antagonist; sympatholytic agent
bromisovalum	[no description available]	medium	1	0	N-acylurea; organobromine compound
brotizolam	[no description available]	medium	1	0	organic molecular entity
bumetanide	[no description available]	medium	1	0	amino acid; benzoic acids; sulfonamide	diuretic; EC 3.6.3.49 (channel-conductance-controlling ATPase) inhibitor
bupivacaine	[no description available]	medium	2	0	aromatic amide; piperidinecarboxamide; tertiary amino compound
buspirone	[no description available]	medium	2	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
busulfan	[no description available]	medium	1	0	methanesulfonate ester	alkylating agent; antineoplastic agent; carcinogenic agent; insect sterilant; teratogenic agent
butalbital	[no description available]	medium	2	0	barbiturates	analgesic; sedative
caffeine	[no description available]	medium	3	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
verapamil	[no description available]	medium	3	0	aromatic ether; nitrile; polyether; tertiary amino compound
candesartan cilexetil	[no description available]	medium	1	0	biphenyls
carbamazepine	[no description available]	high	3	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
carisoprodol	[no description available]	medium	1	0	carbamate ester	muscle relaxant
carmustine	[no description available]	medium	2	0	N-nitrosoureas; organochlorine compound	alkylating agent; antineoplastic agent
carprofen	[no description available]	medium	1	0	carbazoles; organochlorine compound	EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor; non-steroidal anti-inflammatory drug; photosensitizing 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
celecoxib	[no description available]	medium	2	0	organofluorine compound; pyrazoles; sulfonamide; toluenes	cyclooxygenase 2 inhibitor; geroprotector; non-narcotic analgesic; non-steroidal anti-inflammatory drug
cetirizine	[no description available]	medium	2	0	ether; monocarboxylic acid; monochlorobenzenes; piperazines	anti-allergic agent; environmental contaminant; H1-receptor antagonist; xenobiotic
chloral hydrate	[no description available]	medium	1	0	aldehyde hydrate; ethanediol; organochlorine compound	general anaesthetic; mouse metabolite; sedative; xenobiotic
chlorambucil	[no description available]	medium	1	0	aromatic amine; monocarboxylic acid; nitrogen mustard; organochlorine compound; tertiary amino compound	alkylating agent; antineoplastic agent; carcinogenic agent; drug allergen; immunosuppressive agent
chlordiazepoxide	[no description available]	medium	2	0	benzodiazepine
chlormezanone	[no description available]	medium	1	0	1,3-thiazine; lactam; monochlorobenzenes; sulfone	antipsychotic agent; anxiolytic drug; muscle relaxant
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
chloroxylenol	[no description available]	medium	1	0	monochlorobenzenes; phenols	antiseptic drug; disinfectant; molluscicide
chlorpheniramine	[no description available]	medium	4	0	monochlorobenzenes; pyridines; tertiary amino compound	anti-allergic agent; antidepressant; antipruritic drug; H1-receptor antagonist; histamine antagonist; serotonin uptake inhibitor
chlorpromazine	[no description available]	medium	3	0	organochlorine compound; phenothiazines; tertiary amine	anticoronaviral agent; antiemetic; dopaminergic antagonist; EC 3.4.21.26 (prolyl oligopeptidase) inhibitor; phenothiazine antipsychotic drug
chlorpropamide	[no description available]	medium	2	0	monochlorobenzenes; N-sulfonylurea	hypoglycemic agent; insulin secretagogue
chlorzoxazone	[no description available]	medium	1	0	1,3-benzoxazoles; heteroaryl hydroxy compound; organochlorine compound	muscle relaxant; sedative
cimetidine	[no description available]	medium	9	0	aliphatic sulfide; guanidines; imidazoles; nitrile	adjuvant; analgesic; anti-ulcer drug; H2-receptor antagonist; P450 inhibitor
cinoxacin	[no description available]	medium	1	0	cinnolines; oxacycle; oxo carboxylic acid	antibacterial drug; antiinfective agent
ciprofibrate	[no description available]	medium	2	0	cyclopropanes; monocarboxylic acid; organochlorine compound	antilipemic drug
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
cisapride	[no description available]	medium	1	0	benzamides
citalopram	[no description available]	medium	3	0	2-benzofurans; cyclic ether; nitrile; organofluorine compound; tertiary amino compound
clioquinol	[no description available]	medium	3	0	monohydroxyquinoline; organochlorine compound; organoiodine compound	antibacterial agent; antifungal agent; antimicrobial agent; antineoplastic agent; antiprotozoal drug; chelator; copper chelator
clobazam	[no description available]	medium	1	0	1,4-benzodiazepinone; organochlorine compound	anticonvulsant; anxiolytic drug; GABA modulator
clofazimine	[no description available]	medium	2	0	monochlorobenzenes; phenazines	dye; leprostatic drug; non-steroidal anti-inflammatory drug
clofibrate	[no description available]	medium	1	0	aromatic ether; ethyl ester; monochlorobenzenes	anticholesteremic drug; antilipemic drug; geroprotector; PPARalpha agonist
clomiphene	[no description available]	medium	1	0	tertiary amine	estrogen antagonist; estrogen receptor modulator
clonidine	[no description available]	medium	4	0	clonidine; imidazoline
clotiazepam	[no description available]	medium	1	0	organic molecular entity
clotrimazole	[no description available]	medium	2	0	conazole antifungal drug; imidazole antifungal drug; imidazoles; monochlorobenzenes	antiinfective agent; environmental contaminant; xenobiotic
cyclandelate	[no description available]	medium	2	0	carboxylic ester; secondary alcohol	vasodilator agent
cyproheptadine	[no description available]	medium	3	0	piperidines; tertiary amine	anti-allergic agent; antipruritic drug; gastrointestinal drug; H1-receptor antagonist; serotonergic antagonist
danthron	[no description available]	medium	1	0	dihydroxyanthraquinone	apoptosis inducer; plant metabolite
dapsone	[no description available]	medium	1	0	substituted aniline; sulfone	anti-inflammatory drug; antiinfective agent; antimalarial; leprostatic drug
deferoxamine	[no description available]	medium	1	0	acyclic desferrioxamine	bacterial metabolite; ferroptosis inhibitor; iron chelator; siderophore
amphetamine	[no description available]	medium	4	0	primary amine
eflornithine	[no description available]	medium	1	0	alpha-amino acid; fluoroamino acid	trypanocidal drug
diazepam	[no description available]	medium	5	0	1,4-benzodiazepinone; organochlorine compound	anticonvulsant; anxiolytic drug; environmental contaminant; sedative; xenobiotic
diazoxide	[no description available]	high	2	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
diclofenac	[no description available]	medium	5	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
ddt	[no description available]	medium	1	0	benzenoid aromatic compound; chlorophenylethane; monochlorobenzenes; organochlorine insecticide	bridged diphenyl acaricide; carcinogenic agent; endocrine disruptor; persistent organic pollutant
diflunisal	[no description available]	medium	1	0	monohydroxybenzoic acid; organofluorine compound	non-narcotic analgesic; non-steroidal anti-inflammatory drug
diphenhydramine	[no description available]	medium	5	0	ether; tertiary amino compound	anti-allergic agent; antidyskinesia agent; antiemetic; antiparkinson drug; antipruritic drug; antitussive; H1-receptor antagonist; local anaesthetic; muscarinic antagonist; oneirogen; sedative
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
disopyramide	[no description available]	medium	2	0	monocarboxylic acid amide; pyridines; tertiary amino compound	anti-arrhythmia drug
disulfiram	[no description available]	medium	2	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
valproic acid	[no description available]	high	3	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
doxepin	[no description available]	medium	1	0	dibenzooxepine; tertiary amino compound	antidepressant
droperidol	[no description available]	medium	1	0	aromatic ketone; benzimidazoles; organofluorine compound	anaesthesia adjuvant; antiemetic; dopaminergic antagonist; first generation antipsychotic
econazole	[no description available]	medium	1	0	dichlorobenzene; ether; imidazoles; monochlorobenzenes
enflurane	[no description available]	medium	1	0	ether; organochlorine compound; organofluorine compound	anaesthetic
enoxacin	[no description available]	medium	1	0	1,8-naphthyridine derivative; amino acid; fluoroquinolone antibiotic; monocarboxylic acid; N-arylpiperazine; quinolone antibiotic	antibacterial drug; DNA synthesis inhibitor
estazolam	[no description available]	medium	1	0	triazoles; triazolobenzodiazepine	anticonvulsant; anxiolytic drug; GABA modulator
ethacrynic acid	[no description available]	medium	2	0	aromatic ether; aromatic ketone; dichlorobenzene; monocarboxylic acid	EC 2.5.1.18 (glutathione transferase) inhibitor; ion transport inhibitor; loop diuretic
ethoxzolamide	[no description available]	medium	1	0	aromatic ether; benzothiazoles; sulfonamide	antiglaucoma drug; diuretic; EC 4.2.1.1 (carbonic anhydrase) inhibitor
etodolac	[no description available]	medium	1	0	monocarboxylic acid; organic heterotricyclic compound	antipyretic; cyclooxygenase 2 inhibitor; non-narcotic analgesic; non-steroidal anti-inflammatory drug
brl 42810	[no description available]	medium	2	0	2-aminopurines; acetate ester	antiviral drug; prodrug
felbamate	[no description available]	medium	2	0	carbamate ester	anticonvulsant; neuroprotective agent
felodipine	[no description available]	medium	2	0	dichlorobenzene; dihydropyridine; ethyl ester; methyl ester	anti-arrhythmia drug; antihypertensive agent; calcium channel blocker; vasodilator agent
fenofibrate	[no description available]	medium	1	0	aromatic ether; chlorobenzophenone; isopropyl ester; monochlorobenzenes	antilipemic drug; environmental contaminant; geroprotector; xenobiotic
fentanyl	[no description available]	medium	1	0	anilide; monocarboxylic acid amide; piperidines	adjuvant; anaesthesia adjuvant; anaesthetic; intravenous anaesthetic; mu-opioid receptor agonist; opioid analgesic
flecainide	[no description available]	medium	2	0	aromatic ether; monocarboxylic acid amide; organofluorine compound; piperidines	anti-arrhythmia drug
fluconazole	[no description available]	medium	1	0	conazole antifungal drug; difluorobenzene; tertiary alcohol; triazole antifungal drug	environmental contaminant; P450 inhibitor; xenobiotic
flucytosine	[no description available]	medium	2	0	aminopyrimidine; nucleoside analogue; organofluorine compound; pyrimidine antifungal drug; pyrimidone	prodrug
flufenamic acid	[no description available]	medium	2	0	aromatic amino acid; organofluorine compound	antipyretic; EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor; non-narcotic analgesic; non-steroidal anti-inflammatory drug
flumazenil	[no description available]	medium	1	0	ethyl ester; imidazobenzodiazepine; organofluorine compound	antidote to benzodiazepine poisoning; GABA antagonist
flunitrazepam	[no description available]	medium	1	0	1,4-benzodiazepinone; C-nitro compound; monofluorobenzenes	anxiolytic drug; GABAA receptor agonist; sedative
fluorouracil	[no description available]	medium	5	0	nucleobase analogue; organofluorine compound	antimetabolite; antineoplastic agent; environmental contaminant; immunosuppressive agent; radiosensitizing agent; xenobiotic
fluoxetine	[no description available]	medium	3	0	(trifluoromethyl)benzenes; aromatic ether; secondary amino compound
flurbiprofen	[no description available]	medium	3	0	fluorobiphenyl; monocarboxylic acid	antipyretic; EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor; non-narcotic analgesic; non-steroidal anti-inflammatory drug
flutamide	[no description available]	medium	1	0	(trifluoromethyl)benzenes; monocarboxylic acid amide	androgen antagonist; antineoplastic agent
fomepizole	[no description available]	medium	1	0	pyrazoles	antidote; EC 1.1.1.1 (alcohol dehydrogenase) inhibitor; protective agent
furosemide	[no description available]	medium	2	0	chlorobenzoic acid; furans; sulfonamide	environmental contaminant; loop diuretic; xenobiotic
gemfibrozil	[no description available]	medium	2	0	aromatic ether	antilipemic drug
glafenine	[no description available]	medium	1	0	aminoquinoline; carboxylic ester; glycol; organochlorine compound; secondary amino compound	inhibitor; non-narcotic analgesic; non-steroidal anti-inflammatory drug
gliclazide	[no description available]	medium	2	0	N-sulfonylurea	hypoglycemic agent; insulin secretagogue; radical scavenger
glutethimide	[no description available]	medium	1	0	piperidines
glyburide	[no description available]	medium	5	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
gossypol	[no description available]	medium	3	0
guaiazulene	[no description available]	medium	1	0	sesquiterpene
fasudil	[no description available]	medium	2	0	isoquinolines; N-sulfonyldiazepane	antihypertensive agent; calcium channel blocker; EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor; geroprotector; neuroprotective agent; nootropic agent; vasodilator 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
halothane	[no description available]	medium	2	0	haloalkane; organobromine compound; organochlorine compound; organofluorine compound	inhalation anaesthetic
hexachlorophene	[no description available]	medium	2	0	bridged diphenyl fungicide; polyphenol; trichlorobenzene	acaricide; antibacterial agent; antifungal agrochemical; antiseptic drug
miltefosine	[no description available]	medium	2	0	phosphocholines; phospholipid	anti-inflammatory agent; anticoronaviral agent; antifungal agent; antineoplastic agent; antiprotozoal drug; apoptosis inducer; immunomodulator; protein kinase inhibitor
hexestrol	[no description available]	medium	1	0	stilbenoid
hexetidine	[no description available]	medium	1	0	organic heteromonocyclic compound; organonitrogen heterocyclic compound
hexobarbital	[no description available]	medium	1	0	barbiturates
hydralazine	[no description available]	medium	2	0	azaarene; hydrazines; ortho-fused heteroarene; phthalazines	antihypertensive agent; vasodilator agent
hydrochlorothiazide	[no description available]	medium	1	0	benzothiadiazine; organochlorine compound; sulfonamide	antihypertensive agent; diuretic; environmental contaminant; xenobiotic
hydroxyurea	[no description available]	high	2	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
hydroxyzine	[no description available]	medium	2	0	hydroxyether; monochlorobenzenes; N-alkylpiperazine	anticoronaviral agent; antipruritic drug; anxiolytic drug; dermatologic drug; H1-receptor antagonist
ibuprofen	[no description available]	medium	4	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
phenelzine	[no description available]	medium	2	0	primary amine
lidocaine	[no description available]	medium	18	0	benzenes; monocarboxylic acid amide; tertiary amino compound	anti-arrhythmia drug; drug allergen; environmental contaminant; local anaesthetic; xenobiotic
alverine	[no description available]	medium	1	0	tertiary amine	antispasmodic drug
idebenone	[no description available]	medium	1	0	1,4-benzoquinones; primary alcohol	antioxidant; ferroptosis inhibitor
ifosfamide	[no description available]	medium	1	0	ifosfamides	alkylating agent; antineoplastic agent; environmental contaminant; immunosuppressive agent; xenobiotic
imipramine	[no description available]	medium	2	0	dibenzoazepine	adrenergic uptake inhibitor; antidepressant; EC 3.4.21.26 (prolyl oligopeptidase) inhibitor
amrinone	[no description available]	medium	2	0	bipyridines	EC 3.1.4.* (phosphoric diester hydrolase) inhibitor
indapamide	[no description available]	medium	2	0	indoles; organochlorine compound; sulfonamide	antihypertensive agent; diuretic
indomethacin	[no description available]	medium	28	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
iohexol	[no description available]	medium	4	0	benzenedicarboxamide; organoiodine compound	environmental contaminant; radioopaque medium; xenobiotic
iodipamide	[no description available]	medium	2	0	benzoic acids; organoiodine compound; secondary carboxamide	radioopaque medium
iproniazid	[no description available]	medium	1	0	carbohydrazide; pyridines
avapro	[no description available]	medium	1	0	azaspiro compound; biphenylyltetrazole	angiotensin receptor antagonist; antihypertensive agent; environmental contaminant; xenobiotic
isoflurane	[no description available]	medium	5	0	organofluorine compound	inhalation anaesthetic
isoniazid	[no description available]	medium	3	0	carbohydrazide	antitubercular agent; drug allergen
2-propanol	[no description available]	medium	7	0	secondary alcohol; secondary fatty alcohol	protic solvent
isoproterenol	[no description available]	medium	6	0	catechols; secondary alcohol; secondary amino compound	beta-adrenergic agonist; bronchodilator agent; cardiotonic drug; sympathomimetic agent
isoxsuprine	[no description available]	medium	2	0	alkylbenzene
isradipine	[no description available]	medium	1	0	benzoxadiazole; dihydropyridine; isopropyl ester; methyl ester
itraconazole	[no description available]	medium	1	0	piperazines
ketamine	[no description available]	medium	5	0	cyclohexanones; monochlorobenzenes; secondary amino compound	analgesic; environmental contaminant; intravenous anaesthetic; neurotoxin; NMDA receptor antagonist; xenobiotic
ketanserin	[no description available]	medium	4	0	aromatic ketone; organofluorine compound; piperidines; quinazolines	alpha-adrenergic antagonist; antihypertensive agent; cardiovascular drug; EC 3.4.21.26 (prolyl oligopeptidase) inhibitor; serotonergic antagonist
ketoconazole	[no description available]	medium	2	0	dichlorobenzene; dioxolane; ether; imidazoles; N-acylpiperazine; N-arylpiperazine
ketoprofen	[no description available]	medium	2	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
khellin	[no description available]	medium	1	0	furanochromone; organic heterotricyclic compound; oxacycle	anti-asthmatic agent; bronchodilator agent; cardiovascular drug; vasodilator agent
labetalol	[no description available]	medium	2	0	benzamides; benzenes; phenols; primary carboxamide; salicylamides; secondary alcohol; secondary amino compound
lamotrigine	[no description available]	medium	1	0	1,2,4-triazines; dichlorobenzene; primary arylamine	anticonvulsant; antidepressant; antimanic drug; calcium channel blocker; EC 3.4.21.26 (prolyl oligopeptidase) inhibitor; environmental contaminant; excitatory amino acid antagonist; geroprotector; non-narcotic analgesic; xenobiotic
lansoprazole	[no description available]	medium	1	0	benzimidazoles; pyridines; sulfoxide	anti-ulcer drug; EC 3.6.3.10 (H(+)/K(+)-exchanging ATPase) inhibitor
beta-lapachone	[no description available]	medium	2	0	benzochromenone; orthoquinones	anti-inflammatory agent; antineoplastic agent; plant metabolite
leflunomide	[no description available]	medium	2	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
lofepramine	[no description available]	medium	1	0	aromatic ketone; dibenzoazepine; monochlorobenzenes; tertiary amino compound	antidepressant
lomustine	[no description available]	medium	1	0	N-nitrosoureas; organochlorine compound	alkylating agent; antineoplastic agent
loperamide	[no description available]	medium	1	0	monocarboxylic acid amide; monochlorobenzenes; piperidines; tertiary alcohol	anticoronaviral agent; antidiarrhoeal drug; mu-opioid receptor agonist
losartan	[no description available]	medium	4	0	biphenylyltetrazole; imidazoles	angiotensin receptor antagonist; anti-arrhythmia drug; antihypertensive agent; endothelin receptor antagonist
malathion	[no description available]	medium	1	0	diester; ethyl ester; organic thiophosphate
diisopropyl 1,3-dithiol-2-ylidenemalonate	[no description available]	medium	1	0	isopropyl ester
mazindol	[no description available]	medium	1	0	organic molecular entity
mebendazole	[no description available]	medium	1	0	aromatic ketone; benzimidazoles; carbamate ester	antinematodal drug; microtubule-destabilising agent; tubulin modulator
meclizine	[no description available]	medium	1	0	diarylmethane
meclofenoxate	[no description available]	medium	1	0	monocarboxylic acid
mefenamic acid	[no description available]	medium	1	0	aminobenzoic acid; secondary amino compound	analgesic; antipyretic; antirheumatic drug; EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor; environmental contaminant; non-steroidal anti-inflammatory drug; xenobiotic
vitamin k 3	[no description available]	medium	3	0	1,4-naphthoquinones; vitamin K	angiogenesis inhibitor; antineoplastic agent; EC 3.4.22.69 (SARS coronavirus main proteinase) inhibitor; human urinary metabolite; nutraceutical
meperidine	[no description available]	medium	2	0	ethyl ester; piperidinecarboxylate ester; tertiary amino compound	antispasmodic drug; kappa-opioid receptor agonist; mu-opioid receptor agonist; opioid analgesic
mephenytoin	[no description available]	medium	1	0	imidazolidine-2,4-dione	anticonvulsant
mepivacaine	[no description available]	medium	2	0	piperidinecarboxamide	drug allergen; local anaesthetic
meprobamate	[no description available]	medium	1	0	organic molecular entity
mesalamine	[no description available]	medium	4	0	amino acid; aromatic amine; monocarboxylic acid; monohydroxybenzoic acid; phenols	non-steroidal anti-inflammatory drug
metformin	[no description available]	medium	3	0	guanidines	environmental contaminant; geroprotector; hypoglycemic agent; xenobiotic
methadone	[no description available]	medium	1	0	benzenes; diarylmethane; ketone; tertiary amino compound
methoxsalen	[no description available]	medium	1	0	aromatic ether; psoralens	antineoplastic agent; cross-linking reagent; dermatologic drug; photosensitizing agent; plant metabolite
methoxyflurane	[no description available]	medium	1	0	ether; organochlorine compound; organofluorine compound	hepatotoxic agent; inhalation anaesthetic; nephrotoxic agent; non-narcotic analgesic
methyl salicylate	[no description available]	medium	1	0	benzoate ester; methyl ester; salicylates	flavouring agent; insect attractant; metabolite
methylphenidate	[no description available]	medium	1	0	beta-amino acid ester; methyl ester; piperidines
methyprylon	[no description available]	medium	2	0	organic molecular entity
metoclopramide	[no description available]	medium	1	0	benzamides; monochlorobenzenes; substituted aniline; tertiary amino compound	antiemetic; dopaminergic antagonist; environmental contaminant; gastrointestinal drug; xenobiotic
metoprolol	[no description available]	medium	2	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	3	0	aromatic ketone	antimetabolite; diagnostic agent; EC 1.14.15.4 (steroid 11beta-monooxygenase) inhibitor
mianserin	[no description available]	medium	2	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
miconazole	[no description available]	medium	1	0	dichlorobenzene; ether; imidazoles
midazolam	[no description available]	medium	2	0	imidazobenzodiazepine; monofluorobenzenes; organochlorine compound	anticonvulsant; antineoplastic agent; anxiolytic drug; apoptosis inducer; central nervous system depressant; GABAA receptor agonist; general anaesthetic; muscle relaxant; sedative
minoxidil	[no description available]	medium	2	0	dialkylarylamine; tertiary amino compound
mirtazapine	[no description available]	medium	1	0	benzazepine; tetracyclic antidepressant	alpha-adrenergic antagonist; anxiolytic drug; H1-receptor antagonist; histamine antagonist; oneirogen; serotonergic antagonist
mitotane	[no description available]	medium	1	0	diarylmethane
mitoxantrone	[no description available]	medium	1	0	dihydroxyanthraquinone	analgesic; antineoplastic agent
modafinil	[no description available]	medium	2	0	monocarboxylic acid amide; sulfoxide
moxisylyte	[no description available]	medium	2	0	monoterpenoid
deet	[no description available]	medium	1	0	benzamides; monocarboxylic acid amide	environmental contaminant; insect repellent; xenobiotic
nabumetone	[no description available]	medium	1	0	methoxynaphthalene; methyl ketone	cyclooxygenase 2 inhibitor; non-narcotic analgesic; non-steroidal anti-inflammatory drug; prodrug
nalidixic acid	[no description available]	medium	2	0	1,8-naphthyridine derivative; monocarboxylic acid; quinolone antibiotic	antibacterial drug; antimicrobial agent; DNA synthesis inhibitor
nefazodone	[no description available]	medium	2	0	aromatic ether; monochlorobenzenes; N-alkylpiperazine; N-arylpiperazine; triazoles	alpha-adrenergic antagonist; analgesic; antidepressant; serotonergic antagonist; serotonin uptake inhibitor
nevirapine	[no description available]	medium	1	0	cyclopropanes; dipyridodiazepine	antiviral drug; HIV-1 reverse transcriptase inhibitor
nialamide	[no description available]	medium	1	0	organonitrogen compound; organooxygen compound
niceritrol	[no description available]	medium	1	0	organic molecular entity
nifedipine	[no description available]	medium	8	0	C-nitro compound; dihydropyridine; methyl ester	calcium channel blocker; human metabolite; tocolytic agent; vasodilator agent
niflumic acid	[no description available]	medium	4	0	aromatic carboxylic acid; pyridines
nilutamide	[no description available]	medium	1	0	(trifluoromethyl)benzenes; C-nitro compound; imidazolidinone	androgen antagonist; antineoplastic agent
nimesulide	[no description available]	medium	1	0	aromatic ether; C-nitro compound; sulfonamide	cyclooxygenase 2 inhibitor; non-steroidal anti-inflammatory drug
nimodipine	[no description available]	medium	5	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
nisoldipine	[no description available]	medium	1	0	C-nitro compound; dicarboxylic acids and O-substituted derivatives; diester; dihydropyridine; methyl ester
nitrazepam	[no description available]	medium	2	0	1,4-benzodiazepinone; C-nitro compound	anticonvulsant; antispasmodic drug; drug metabolite; GABA modulator; sedative
nitrendipine	[no description available]	medium	2	0	C-nitro compound; dicarboxylic acids and O-substituted derivatives; diester; dihydropyridine; ethyl ester; methyl ester	antihypertensive agent; calcium channel blocker; geroprotector; vasodilator agent
nitroglycerin	[no description available]	medium	1	0	nitroglycerol	explosive; muscle relaxant; nitric oxide donor; prodrug; tocolytic agent; vasodilator agent; xenobiotic
nizatidine	[no description available]	medium	1	0	1,3-thiazoles; C-nitro compound; carboxamidine; organic sulfide; tertiary amino compound	anti-ulcer drug; cholinergic drug; H2-receptor antagonist
masoprocol	[no description available]	medium	1	0	catechols; lignan; tetrol	antioxidant; ferroptosis inhibitor; geroprotector; plant metabolite
norfloxacin	[no description available]	medium	1	0	fluoroquinolone antibiotic; N-arylpiperazine; quinolinemonocarboxylic acid; quinolone antibiotic; quinolone	antibacterial drug; DNA synthesis inhibitor; environmental contaminant; xenobiotic
nortriptyline	[no description available]	medium	2	0	organic tricyclic compound; secondary amine	adrenergic uptake inhibitor; analgesic; antidepressant; antineoplastic agent; apoptosis inducer; drug metabolite
omeprazole	[no description available]	medium	2	0	aromatic ether; benzimidazoles; pyridines; sulfoxide
ondansetron	[no description available]	medium	2	0	carbazoles
orphenadrine	[no description available]	medium	1	0	ether; tertiary amino compound	antidyskinesia agent; antiparkinson drug; H1-receptor antagonist; muscarinic antagonist; muscle relaxant; NMDA receptor antagonist; parasympatholytic
oxamniquine	[no description available]	medium	2	0	aromatic primary alcohol; C-nitro compound; quinolines; secondary amino compound
oxaprozin	[no description available]	medium	1	0	1,3-oxazoles; monocarboxylic acid	analgesic; non-steroidal anti-inflammatory drug
oxazepam	[no description available]	medium	1	0	1,4-benzodiazepinone; organochlorine compound	anxiolytic drug; environmental contaminant; xenobiotic
oxethazaine	[no description available]	medium	1	0	amino acid amide
oxprenolol	[no description available]	medium	1	0	aromatic ether
oxybenzone	[no description available]	medium	1	0	hydroxybenzophenone; monomethoxybenzene	dermatologic drug; environmental contaminant; protective agent; ultraviolet filter; xenobiotic
oxyphenbutazone	[no description available]	medium	1	0	phenols; pyrazolidines	antimicrobial agent; antineoplastic agent; antipyretic; drug metabolite; gout suppressant; non-narcotic analgesic; non-steroidal anti-inflammatory drug; xenobiotic metabolite
aminosalicylic acid	[no description available]	medium	1	0	aminobenzoic acid; phenols	antitubercular agent
pantoprazole	[no description available]	medium	1	0	aromatic ether; benzimidazoles; organofluorine compound; pyridines; sulfoxide	anti-ulcer drug; EC 3.6.3.10 (H(+)/K(+)-exchanging ATPase) inhibitor; environmental contaminant; xenobiotic
pemoline	[no description available]	medium	1	0	1,3-oxazoles	central nervous system stimulant
pentobarbital	[no description available]	medium	3	0	barbiturates	GABAA receptor agonist
pentoxifylline	[no description available]	medium	4	0	oxopurine
perazine	[no description available]	medium	1	0	N-alkylpiperazine; N-methylpiperazine; phenothiazines	dopaminergic antagonist; phenothiazine antipsychotic drug
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	3	0	barbiturates	anticonvulsant; drug allergen; excitatory amino acid antagonist; sedative
phenolphthalein	[no description available]	medium	2	0	phenols
phenoxybenzamine	[no description available]	medium	4	0	aromatic amine
phenylbutazone	[no description available]	medium	2	0	pyrazolidines	antirheumatic drug; EC 1.1.1.184 [carbonyl reductase (NADPH)] inhibitor; metabolite; non-narcotic analgesic; non-steroidal anti-inflammatory drug; peripheral nervous system drug
moxonidine	[no description available]	medium	1	0	organohalogen compound; pyrimidines
pinacidil	[no description available]	medium	1	0	pyridines
pipemidic acid	[no description available]	medium	1	0	amino acid; monocarboxylic acid; N-arylpiperazine; pyridopyrimidine; quinolone antibiotic	antibacterial drug; DNA synthesis inhibitor
piperazine	[no description available]	medium	1	0	azacycloalkane; piperazines; saturated organic heteromonocyclic parent	anthelminthic drug
praziquantel	[no description available]	medium	3	0	isoquinolines
prazosin	[no description available]	medium	2	0	aromatic ether; furans; monocarboxylic acid amide; piperazines; quinazolines	alpha-adrenergic antagonist; antihypertensive agent; EC 3.4.21.26 (prolyl oligopeptidase) inhibitor
primaquine	[no description available]	medium	2	0	aminoquinoline; aromatic ether; N-substituted diamine	antimalarial
primidone	[no description available]	medium	1	0	pyrimidone	anticonvulsant; environmental contaminant; xenobiotic
probenecid	[no description available]	medium	2	0	benzoic acids; sulfonamide	uricosuric drug
probucol	[no description available]	medium	1	0	dithioketal; polyphenol	anti-inflammatory drug; anticholesteremic drug; antilipemic drug; antioxidant; cardiovascular drug
procainamide	[no description available]	medium	2	0	benzamides	anti-arrhythmia drug; platelet aggregation inhibitor; sodium channel blocker
procarbazine	[no description available]	medium	1	0	benzamides; hydrazines	antineoplastic agent
prochlorperazine	[no description available]	medium	1	0	N-alkylpiperazine; N-methylpiperazine; organochlorine compound; phenothiazines	alpha-adrenergic antagonist; antiemetic; cholinergic antagonist; dopamine receptor D2 antagonist; dopaminergic antagonist; EC 3.4.21.26 (prolyl oligopeptidase) inhibitor; first generation antipsychotic
promethazine	[no description available]	medium	2	0	phenothiazines; tertiary amine	anti-allergic agent; anticoronaviral agent; antiemetic; antipruritic drug; H1-receptor antagonist; local anaesthetic; sedative
propofol	[no description available]	medium	3	0	phenols	anticonvulsant; antiemetic; intravenous anaesthetic; radical scavenger; sedative
propranolol	[no description available]	medium	13	0	naphthalenes; propanolamine; secondary amine	anti-arrhythmia drug; antihypertensive agent; anxiolytic drug; beta-adrenergic antagonist; environmental contaminant; human blood serum metabolite; vasodilator agent; xenobiotic
pyridinolcarbamate	[no description available]	medium	1	0	pyridines
pyrimethamine	[no description available]	medium	1	0	aminopyrimidine; monochlorobenzenes	antimalarial; antiprotozoal drug; EC 1.5.1.3 (dihydrofolate reductase) inhibitor
ranitidine	[no description available]	medium	1	0	aralkylamine
opc 12759	[no description available]	medium	1	0	secondary carboxamide
riluzole	[no description available]	medium	1	0	benzothiazoles
risperidone	[no description available]	medium	1	0	1,2-benzoxazoles; heteroarylpiperidine; organofluorine compound; pyridopyrimidine	alpha-adrenergic antagonist; dopaminergic antagonist; EC 3.4.21.26 (prolyl oligopeptidase) inhibitor; H1-receptor antagonist; psychotropic drug; second generation antipsychotic; serotonergic antagonist
rofecoxib	[no description available]	medium	2	0	butenolide; sulfone	analgesic; cyclooxygenase 2 inhibitor; non-steroidal anti-inflammatory drug
salicylamide	[no description available]	medium	1	0	phenols; salicylamides	antirheumatic drug; non-narcotic analgesic
sevoflurane	[no description available]	medium	1	0	ether; organofluorine compound	central nervous system depressant; inhalation anaesthetic; platelet aggregation inhibitor
sibutramine	[no description available]	medium	1	0	organochlorine compound; tertiary amino compound	anti-obesity agent; serotonin uptake inhibitor
sulfadiazine	[no description available]	medium	1	0	pyrimidines; substituted aniline; sulfonamide antibiotic; sulfonamide	antiinfective agent; antimicrobial agent; antiprotozoal drug; coccidiostat; 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; xenobiotic
sotalol	[no description available]	medium	2	0	ethanolamines; secondary alcohol; secondary amino compound; sulfonamide	anti-arrhythmia drug; beta-adrenergic antagonist; environmental contaminant; xenobiotic
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
vorinostat	[no description available]	medium	1	0	dicarboxylic acid diamide; hydroxamic acid	antineoplastic agent; apoptosis inducer; EC 3.5.1.98 (histone deacetylase) inhibitor
sulfadimethoxine	[no description available]	medium	2	0	aromatic ether; pyrimidines; substituted aniline; sulfonamide antibiotic; sulfonamide	antiinfective agent; antimicrobial agent; drug allergen; environmental contaminant; xenobiotic
sulfamerazine	[no description available]	medium	1	0	pyrimidines; sulfonamide antibiotic; sulfonamide	antiinfective agent; drug allergen
sulfameter	[no description available]	medium	1	0	pyrimidines; sulfonamide antibiotic; sulfonamide	antiinfective agent; leprostatic drug; renal agent
sulfamethazine	[no description available]	medium	1	0	pyrimidines; sulfonamide antibiotic; sulfonamide	antibacterial drug; antiinfective agent; antimicrobial agent; carcinogenic agent; drug allergen; EC 2.5.1.15 (dihydropteroate synthase) inhibitor; environmental contaminant; ligand; xenobiotic
sulfamethizole	[no description available]	medium	1	0	sulfonamide antibiotic; sulfonamide; thiadiazoles	antiinfective agent; antimicrobial agent; drug allergen; EC 2.5.1.15 (dihydropteroate synthase) inhibitor
sulfamethoxazole	[no description available]	medium	2	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
sulfanilamide	[no description available]	medium	1	0	substituted aniline; sulfonamide antibiotic; sulfonamide	antibacterial agent; drug allergen; EC 4.2.1.1 (carbonic anhydrase) inhibitor
sulfaphenazole	[no description available]	medium	1	0	primary amino compound; pyrazoles; substituted aniline; sulfonamide antibiotic; sulfonamide	antibacterial drug; EC 1.14.13.181 (13-deoxydaunorubicin hydroxylase) inhibitor; EC 1.14.13.67 (quinine 3-monooxygenase) inhibitor; P450 inhibitor
sulfapyridine	[no description available]	medium	1	0	pyridines; substituted aniline; sulfonamide antibiotic; sulfonamide	antiinfective agent; dermatologic drug; drug allergen; environmental contaminant; xenobiotic
sulfasalazine	[no description available]	medium	1	0
sulfinpyrazone	[no description available]	medium	1	0	pyrazolidines; sulfoxide	uricosuric drug
2-(octylamino)-1-[4-(propan-2-ylthio)phenyl]-1-propanol	[no description available]	medium	1	0	alkylbenzene
sulpiride	[no description available]	medium	2	0	benzamides; N-alkylpyrrolidine; sulfonamide	antidepressant; antiemetic; antipsychotic agent; dopaminergic antagonist
suprofen	[no description available]	medium	1	0	aromatic ketone; monocarboxylic acid; thiophenes	antirheumatic drug; drug allergen; EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor; non-narcotic analgesic; non-steroidal anti-inflammatory drug; peripheral nervous system drug
gatifloxacin	[no description available]	medium	1	0	N-arylpiperazine; organofluorine compound; quinolinemonocarboxylic acid; quinolone antibiotic; quinolone	antiinfective agent; antimicrobial agent; EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor
tegafur	[no description available]	medium	1	0	organohalogen compound; pyrimidines
temazepam	[no description available]	medium	1	0	benzodiazepine
temozolomide	[no description available]	medium	1	0	imidazotetrazine; monocarboxylic acid amide; triazene derivative	alkylating agent; antineoplastic agent; prodrug
terbutaline	[no description available]	medium	3	0	phenylethanolamines; resorcinols	anti-asthmatic drug; beta-adrenergic agonist; bronchodilator agent; EC 3.1.1.7 (acetylcholinesterase) inhibitor; hypoglycemic agent; sympathomimetic agent; tocolytic agent
terfenadine	[no description available]	medium	1	0	diarylmethane
tetracaine	[no description available]	medium	2	0	benzoate ester; tertiary amino compound	local anaesthetic
thalidomide	[no description available]	medium	3	0	phthalimides; piperidones
thiabendazole	[no description available]	medium	1	0	1,3-thiazoles; benzimidazole fungicide; benzimidazoles	antifungal agrochemical; antinematodal drug
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
tiaprofenic acid	[no description available]	medium	1	0	aromatic ketone; monocarboxylic acid; thiophenes	drug allergen; non-steroidal anti-inflammatory drug
ticlopidine	[no description available]	medium	3	0	monochlorobenzenes; thienopyridine	anticoagulant; fibrin modulating drug; hematologic agent; P2Y12 receptor antagonist; platelet aggregation inhibitor
tiopronin	[no description available]	medium	3	0	N-acyl-amino acid
tizanidine	[no description available]	medium	2	0	benzothiadiazole; imidazoles	alpha-adrenergic agonist; muscle relaxant
tolazamide	[no description available]	medium	1	0	N-sulfonylurea	hypoglycemic agent; potassium channel blocker
tolbutamide	[no description available]	medium	1	0	N-sulfonylurea	human metabolite; hypoglycemic agent; insulin secretagogue; potassium channel blocker
tolperisone	[no description available]	medium	2	0	aromatic ketone
ultram	[no description available]	medium	2	0	aromatic ether; tertiary alcohol; tertiary amino compound
tranexamic acid	[no description available]	medium	2	0	amino acid
trazodone	[no description available]	medium	1	0	monochlorobenzenes; N-alkylpiperazine; N-arylpiperazine; triazolopyridine	adrenergic antagonist; antidepressant; anxiolytic drug; H1-receptor antagonist; sedative; serotonin uptake inhibitor
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
triflupromazine	[no description available]	medium	1	0	organofluorine compound; phenothiazines; tertiary amine	anticoronaviral agent; antiemetic; dopaminergic antagonist; first generation antipsychotic
trimethadione	[no description available]	medium	2	0	oxazolidinone	anticonvulsant; geroprotector
trimethoprim	[no description available]	medium	2	0	aminopyrimidine; methoxybenzenes	antibacterial drug; diuretic; drug allergen; EC 1.5.1.3 (dihydrofolate reductase) inhibitor; environmental contaminant; xenobiotic
troglitazone	[no description available]	medium	2	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
venlafaxine	[no description available]	medium	2	0	cyclohexanols; monomethoxybenzene; tertiary alcohol; tertiary amino compound	adrenergic uptake inhibitor; analgesic; antidepressant; dopamine uptake inhibitor; environmental contaminant; serotonin uptake inhibitor; xenobiotic
vesnarinone	[no description available]	medium	1	0	organic molecular entity
vigabatrin	[no description available]	medium	1	0	gamma-amino acid	anticonvulsant; EC 2.6.1.19 (4-aminobutyrate--2-oxoglutarate transaminase) inhibitor
ici 204,219	[no description available]	medium	1	0	carbamate ester; indoles; N-sulfonylcarboxamide	anti-asthmatic agent; leukotriene antagonist
zolpidem	[no description available]	medium	1	0	imidazopyridine	central nervous system depressant; GABA agonist; sedative
guanidine hydrochloride	[no description available]	medium	1	0	one-carbon compound; organic chloride salt	protein denaturant
hydrocortisone acetate	[no description available]	medium	1	0	cortisol ester; tertiary alpha-hydroxy ketone
cortisone acetate	[no description available]	medium	1	0	corticosteroid hormone
mitomycin	[no description available]	medium	4	0	mitomycin	alkylating agent; antineoplastic agent
prednisolone	[no description available]	medium	2	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
estriol	[no description available]	medium	2	0	16alpha-hydroxy steroid; 17beta-hydroxy steroid; 3-hydroxy steroid	estrogen; human metabolite; human xenobiotic metabolite; mouse metabolite
reserpine	[no description available]	medium	3	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
cephaloridine	[no description available]	medium	1	0	beta-lactam antibiotic allergen; cephalosporin; semisynthetic derivative	antibacterial drug
phentolamine	[no description available]	medium	5	0	imidazoles; phenols; substituted aniline; tertiary amino compound	alpha-adrenergic antagonist; vasodilator agent
sorbitol	[no description available]	medium	3	0	glucitol	cathartic; Escherichia coli metabolite; food humectant; human metabolite; laxative; metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite; sweetening agent
floxuridine	[no description available]	medium	2	0	nucleoside analogue; organofluorine compound; pyrimidine 2'-deoxyribonucleoside	antimetabolite; antineoplastic agent; antiviral drug; radiosensitizing agent
piperonyl butoxide	[no description available]	medium	1	0	benzodioxoles	pesticide synergist
bromouracil	[no description available]	medium	1	0	nucleobase analogue; pyrimidines	mutagen
3,3',5-triiodothyroacetic acid	[no description available]	medium	1	0
histamine dihydrochloride	[no description available]	medium	1	0
thyroxine	[no description available]	medium	3	0	2-halophenol; iodophenol; L-phenylalanine derivative; non-proteinogenic L-alpha-amino acid; thyroxine zwitterion; thyroxine	antithyroid drug; human metabolite; mouse metabolite; thyroid hormone
dextroamphetamine	[no description available]	medium	1	0	1-phenylpropan-2-amine	adrenergic agent; adrenergic uptake inhibitor; dopamine uptake inhibitor; dopaminergic agent; neurotoxin; sympathomimetic agent
carbachol	[no description available]	medium	2	0	ammonium salt; carbamate ester	cardiotonic drug; miotic; muscarinic agonist; nicotinic acetylcholine receptor agonist; non-narcotic analgesic
norethindrone acetate	[no description available]	medium	2	0	3-oxo-Delta(4) steroid; acetate ester; terminal acetylenic compound	progestin; synthetic oral contraceptive
spironolactone	[no description available]	medium	2	0	3-oxo-Delta(4) steroid; oxaspiro compound; steroid lactone; thioester	aldosterone antagonist; antihypertensive agent; diuretic; environmental contaminant; xenobiotic
cyclobarbital	[no description available]	medium	2	0	barbiturates
allobarbital	[no description available]	medium	1	0	barbiturates
penicillamine	[no description available]	medium	1	0	non-proteinogenic alpha-amino acid; penicillamine	antirheumatic drug; chelator; copper chelator; drug allergen
trichlorfon	[no description available]	medium	1	0	organic phosphonate; organochlorine compound; phosphonic ester	agrochemical; anthelminthic drug; EC 3.1.1.7 (acetylcholinesterase) inhibitor; EC 3.1.1.8 (cholinesterase) inhibitor; insecticide
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
estrone	[no description available]	medium	1	0	17-oxo steroid; 3-hydroxy steroid; phenolic steroid; phenols	antineoplastic agent; bone density conservation agent; estrogen; human metabolite; mouse metabolite
oxandrolone	[no description available]	medium	2	0	17beta-hydroxy steroid; 3-oxo steroid; anabolic androgenic steroid; oxa-steroid	anabolic agent; androgen
dehydroepiandrosterone	[no description available]	medium	1	0	17-oxo steroid; 3beta-hydroxy-Delta(5)-steroid; androstanoid	androgen; human metabolite; mouse metabolite
nad	[no description available]	medium	1	0	NAD	geroprotector
penicillin g	[no description available]	medium	2	0	penicillin allergen; penicillin	antibacterial drug; drug allergen; epitope
pilocarpine	[no description available]	medium	7	0	pilocarpine	antiglaucoma drug
triiodothyronine	[no description available]	medium	3	0	2-halophenol; amino acid zwitterion; iodophenol; iodothyronine	human metabolite; mouse metabolite; thyroid hormone
chloramphenicol	[no description available]	medium	2	0	C-nitro compound; carboxamide; diol; organochlorine compound	antibacterial drug; antimicrobial agent; Escherichia coli metabolite; geroprotector; Mycoplasma genitalium metabolite; protein synthesis inhibitor
glutamine	[no description available]	medium	2	0	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
cetrimonium bromide	[no description available]	medium	2	0	organic bromide salt; quaternary ammonium salt	detergent; surfactant
vincristine	[no description available]	medium	1	0	acetate ester; formamides; methyl ester; organic heteropentacyclic compound; organic heterotetracyclic compound; tertiary alcohol; tertiary amino compound; vinca alkaloid	antineoplastic agent; drug; microtubule-destabilising agent; plant metabolite; tubulin modulator
physostigmine	[no description available]	medium	3	0	carbamate ester; indole alkaloid	antidote to curare poisoning; EC 3.1.1.8 (cholinesterase) inhibitor; miotic
sucrose	[no description available]	medium	16	0	glycosyl glycoside	algal metabolite; Escherichia coli metabolite; human metabolite; mouse metabolite; osmolyte; Saccharomyces cerevisiae metabolite; sweetening agent
ethinyl estradiol	[no description available]	medium	3	0	17-hydroxy steroid; 3-hydroxy steroid; terminal acetylenic compound	xenoestrogen
testosterone propionate	[no description available]	medium	1	0	steroid ester
apomorphine	[no description available]	medium	1	0	aporphine alkaloid	alpha-adrenergic drug; antidyskinesia agent; antiparkinson drug; dopamine agonist; emetic; serotonergic drug
aminopyrine	[no description available]	medium	2	0	pyrazolone; tertiary amino compound	antipyretic; environmental contaminant; non-narcotic analgesic; non-steroidal anti-inflammatory drug; xenobiotic
methyltestosterone	[no description available]	medium	1	0	17beta-hydroxy steroid; 3-oxo-Delta(4) steroid; enone	anabolic agent; androgen; antineoplastic agent
tetrabenazine	[no description available]	medium	1	0	benzoquinolizine; cyclic ketone; tertiary amino compound
cephalothin	[no description available]	medium	2	0	azabicycloalkene; beta-lactam antibiotic allergen; carboxylic acid; cephalosporin; semisynthetic derivative; thiophenes	antibacterial drug; antimicrobial agent
uridine	[no description available]	medium	2	0	uridines	drug metabolite; fundamental metabolite; human metabolite
kanamycin a	[no description available]	medium	2	0	kanamycins	bacterial metabolite
phenylephrine	[no description available]	medium	6	0	phenols; phenylethanolamines; secondary amino compound	alpha-adrenergic agonist; cardiotonic drug; mydriatic agent; nasal decongestant; protective agent; sympathomimetic agent; vasoconstrictor agent
levodopa	[no description available]	medium	3	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
niridazole	[no description available]	medium	1	0	1,3-thiazoles; C-nitro compound
carbaryl	[no description available]	medium	1	0	carbamate ester; naphthalenes	acaricide; agrochemical; carbamate insecticide; EC 3.1.1.7 (acetylcholinesterase) inhibitor; EC 3.1.1.8 (cholinesterase) inhibitor; plant growth retardant
lactose	[no description available]	medium	2	0	lactose
methionine	[no description available]	medium	1	0	aspartate family amino acid; L-alpha-amino acid; methionine zwitterion; methionine; proteinogenic amino acid	antidote to paracetamol poisoning; human metabolite; micronutrient; mouse metabolite; nutraceutical
Mebutamate	[no description available]	medium	1	0	organic molecular entity
colchicine	[no description available]	medium	2	0	alkaloid; colchicine	anti-inflammatory agent; gout suppressant; mutagen
norethindrone	[no description available]	medium	1	0	17beta-hydroxy steroid; 3-oxo-Delta(4) steroid; terminal acetylenic compound; tertiary alcohol	progestin; synthetic oral contraceptive
norethynodrel	[no description available]	medium	1	0	oxo steroid
benziodarone	[no description available]	medium	1	0	aromatic ketone
ampicillin	[no description available]	medium	1	0	beta-lactam antibiotic; penicillin allergen; penicillin	antibacterial drug
mannitol	[no description available]	medium	35	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
cytarabine	[no description available]	medium	2	0	beta-D-arabinoside; monosaccharide derivative; pyrimidine nucleoside	antimetabolite; antineoplastic agent; antiviral agent; immunosuppressive agent
medroxyprogesterone acetate	[no description available]	medium	1	0	20-oxo steroid; 3-oxo-Delta(4) steroid; acetate ester; corticosteroid; steroid ester	adjuvant; androgen; antineoplastic agent; antioxidant; female contraceptive drug; inhibitor; progestin; synthetic oral contraceptive
mestranol	[no description available]	medium	1	0	17beta-hydroxy steroid; aromatic ether; terminal acetylenic compound	prodrug; xenoestrogen
methaqualone	[no description available]	medium	1	0	quinazolines	GABA agonist; sedative
cordycepin	[no description available]	medium	1	0	3'-deoxyribonucleoside; adenosines	antimetabolite; nucleoside antibiotic
tryptophan	[no description available]	medium	5	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
arginine	[no description available]	medium	17	0	arginine; glutamine family amino acid; L-alpha-amino acid; proteinogenic amino acid	biomarker; Escherichia coli metabolite; micronutrient; mouse metabolite; nutraceutical
trichloroacetic acid	[no description available]	medium	1	0	monocarboxylic acid; organochlorine compound	carcinogenic agent; metabolite; 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
allylpropymal	[no description available]	medium	1	0	barbiturates
butobarbital	[no description available]	medium	1	0	barbiturates
trichloroethylene	[no description available]	medium	1	0	chloroethenes	inhalation anaesthetic; mouse metabolite
dehydrocholic acid	[no description available]	medium	2	0	12-oxo steroid; 3-oxo-5beta-steroid; 7-oxo steroid; oxo-5beta-cholanic acid	gastrointestinal drug
methylprednisolone	[no description available]	medium	7	0	6-methylprednisolone; primary alpha-hydroxy ketone; tertiary alpha-hydroxy ketone	adrenergic agent; anti-inflammatory drug; antiemetic; environmental contaminant; neuroprotective agent; xenobiotic
isosorbide dinitrate	[no description available]	medium	1	0	glucitol derivative; nitrate ester	nitric oxide donor; vasodilator agent
synephrine	[no description available]	medium	1	0	ethanolamines; phenethylamine alkaloid; phenols	alpha-adrenergic agonist; plant metabolite
benzoyl peroxide	[no description available]	medium	1	0	carbonyl compound
furan	[no description available]	medium	1	0	furans; mancude organic heteromonocyclic parent; monocyclic heteroarene	carcinogenic agent; hepatotoxic agent; Maillard reaction product
ergotamine	[no description available]	medium	1	0	peptide ergot alkaloid	alpha-adrenergic agonist; mycotoxin; non-narcotic analgesic; oxytocic; serotonergic agonist; vasoconstrictor agent
neostigmine bromide	[no description available]	medium	1	0	bromide salt
phenformin	[no description available]	medium	1	0	biguanides	antineoplastic agent; geroprotector; hypoglycemic agent
mephobarbital	[no description available]	medium	1	0	barbiturates	anticonvulsant
hexachlorobenzene	[no description available]	medium	1	0	aromatic fungicide; chlorobenzenes	antifungal agrochemical; carcinogenic agent; persistent organic pollutant
trinitrotoluene	[no description available]	medium	1	0	trinitrotoluene	explosive
framycetin	[no description available]	medium	3	0	aminoglycoside	allergen; antibacterial drug; Escherichia coli metabolite
pyrazolanthrone	[no description available]	medium	1	0	anthrapyrazole; aromatic ketone; cyclic ketone	antineoplastic agent; c-Jun N-terminal kinase inhibitor; geroprotector
meglumine	[no description available]	medium	1	0	hexosamine; secondary amino compound
cinchophen	[no description available]	medium	1	0	quinolines
yohimbine	[no description available]	medium	3	0	methyl 17-hydroxy-20xi-yohimban-16-carboxylate	alpha-adrenergic antagonist; dopamine receptor D2 antagonist; serotonergic antagonist
mequinol	[no description available]	medium	1	0	methoxybenzenes; phenols	metabolite
quinestrol	[no description available]	medium	1	0	17-hydroxy steroid; terminal acetylenic compound	xenoestrogen
dydrogesterone	[no description available]	medium	1	0	20-oxo steroid; 3-oxo-Delta(4) steroid	progestin
ephedrine	[no description available]	medium	2	0	phenethylamine alkaloid; phenylethanolamines	bacterial metabolite; environmental contaminant; nasal decongestant; plant metabolite; sympathomimetic agent; vasoconstrictor agent; xenobiotic
chlormadinone acetate	[no description available]	medium	2	0	corticosteroid hormone
2,3-dimercaptosuccinic acid	[no description available]	medium	1	0
testosterone enanthate	[no description available]	medium	1	0	heptanoate ester; sterol ester	androgen
aminophylline	[no description available]	medium	3	0	mixture	bronchodilator agent; cardiotonic drug
azacitidine	[no description available]	medium	1	0	N-glycosyl-1,3,5-triazine; nucleoside analogue	antineoplastic agent
phenyramidol	[no description available]	medium	1	0	aminopyridine
carbutamide	[no description available]	medium	2	0	benzenes; sulfonamide
nandrolone decanoate	[no description available]	medium	1	0	steroid ester
bucladesine	[no description available]	medium	1	0	3',5'-cyclic purine nucleotide; butanamides; butyrate ester	agonist; cardiotonic drug; vasodilator agent
betamethasone	[no description available]	medium	1	0	11beta-hydroxy steroid; 17alpha-hydroxy steroid; 20-oxo steroid; 21-hydroxy steroid; 3-oxo-Delta(1),Delta(4)-steroid; fluorinated steroid; glucocorticoid; primary alpha-hydroxy ketone; tertiary alpha-hydroxy ketone	anti-asthmatic agent; anti-inflammatory drug; immunosuppressive agent
perflubron	[no description available]	medium	1	0	haloalkane; organobromine compound; perfluorinated compound	blood substitute; radioopaque medium
cyproterone acetate	[no description available]	medium	1	0	20-oxo steroid; 3-oxo-Delta(4) steroid; acetate ester; chlorinated steroid; steroid ester	androgen antagonist; geroprotector; progestin
dextropropoxyphene	[no description available]	medium	2	0	1-benzyl-3-(dimethylamino)-2-methyl-1-phenylpropyl propanoate	mu-opioid receptor agonist; opioid analgesic
glycyrrhetinic acid	[no description available]	medium	1	0	cyclic terpene ketone; hydroxy monocarboxylic acid; pentacyclic triterpenoid	immunomodulator; plant metabolite
chenodeoxycholic acid	[no description available]	medium	2	0	bile acid; C24-steroid; dihydroxy-5beta-cholanic acid	human metabolite; mouse metabolite
dihydralazine	[no description available]	medium	2	0	phthalazines
phenylpropanolamine	[no description available]	medium	1	0	amphetamines; phenethylamine alkaloid	plant metabolite
dihydroergotamine	[no description available]	medium	1	0	ergot alkaloid; semisynthetic derivative	dopamine agonist; non-narcotic analgesic; serotonergic agonist; sympatholytic agent; vasoconstrictor agent
podophyllotoxin	[no description available]	medium	1	0	furonaphthodioxole; lignan; organic heterotetracyclic compound	antimitotic; antineoplastic agent; keratolytic drug; microtubule-destabilising agent; plant metabolite; tubulin modulator
hesperidin	[no description available]	medium	1	0	3'-hydroxyflavanones; 4'-methoxyflavanones; dihydroxyflavanone; disaccharide derivative; flavanone glycoside; monomethoxyflavanone; rutinoside	mutagen
chlormethiazole	[no description available]	medium	2	0	thiazoles
methamphetamine	[no description available]	medium	5	0	amphetamines; secondary amine	central nervous system stimulant; environmental contaminant; neurotoxin; psychotropic drug; xenobiotic
gentian violet	[no description available]	high	5	0	organic chloride salt	anthelminthic drug; antibacterial agent; antifungal agent; antiseptic drug; histological dye
hematoporphyrin	[no description available]	medium	5	0
lactulose	[no description available]	medium	1	0	glycosylfructose	gastrointestinal drug; laxative
megestrol acetate	[no description available]	medium	1	0	20-oxo steroid; 3-oxo-Delta(4) steroid; acetate ester; steroid ester	antineoplastic agent; appetite enhancer; contraceptive drug; progestin; synthetic oral contraceptive
acetylcysteine	[no description available]	medium	8	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
erythromycin stearate	[no description available]	medium	1	0	aminoglycoside
erythromycin	[no description available]	medium	3	0	cyclic ketone; erythromycin
vinblastine	[no description available]	medium	2	0
estradiol valerate	[no description available]	medium	1	0	steroid ester
vancomycin	[no description available]	medium	1	0	glycopeptide	antibacterial drug; antimicrobial agent; bacterial metabolite
d-alpha tocopherol	[no description available]	medium	9	0	alpha-tocopherol	algal metabolite; antiatherogenic agent; anticoagulant; antioxidant; antiviral agent; EC 2.7.11.13 (protein kinase C) inhibitor; immunomodulator; micronutrient; nutraceutical; plant metabolite
dronabinol	[no description available]	medium	1	0	benzochromene; diterpenoid; phytocannabinoid; polyketide	cannabinoid receptor agonist; epitope; hallucinogen; metabolite; non-narcotic analgesic
amiloride	[no description available]	high	3	0	aromatic amine; guanidines; organochlorine compound; pyrazines	diuretic; sodium channel blocker
pimozide	[no description available]	medium	1	0	benzimidazoles; heteroarylpiperidine; organofluorine compound	antidyskinesia agent; dopaminergic antagonist; first generation antipsychotic; H1-receptor antagonist; serotonergic antagonist
sulfadoxine	[no description available]	medium	2	0	pyrimidines; sulfonamide	antibacterial drug; antimalarial
acadesine	[no description available]	medium	2	0	1-ribosylimidazolecarboxamide; aminoimidazole; nucleoside analogue	antineoplastic agent; platelet aggregation inhibitor
stavudine	[no description available]	medium	1	0	dihydrofuran; nucleoside analogue; organic molecular entity	antimetabolite; antiviral agent; EC 2.7.7.49 (RNA-directed DNA polymerase) inhibitor
doxifluridine	[no description available]	medium	1	0	organofluorine compound; pyrimidine 5'-deoxyribonucleoside	antimetabolite; antineoplastic agent; prodrug
iproclozide	[no description available]	medium	1	0	aromatic ether
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
cladribine	[no description available]	medium	1	0	organochlorine compound; purine 2'-deoxyribonucleoside	antineoplastic agent; immunosuppressive agent
carbenicillin disodium	[no description available]	medium	1	0	organic sodium salt
dehydroemetine	[no description available]	medium	1	0	aromatic ether; isoquinolines; pyridoisoquinoline	antileishmanial agent; antimalarial; antiprotozoal drug
benorilate	[no description available]	medium	2	0	carbonyl compound
trimetazidine	[no description available]	medium	1	0	aromatic amine
floxacillin	[no description available]	medium	2	0	penicillin allergen; penicillin	antibacterial drug
vidarabine	[no description available]	medium	1	0	beta-D-arabinoside; purine nucleoside	antineoplastic agent; bacterial metabolite; nucleoside antibiotic
tiadenol	[no description available]	medium	1	0	aliphatic sulfide
camptothecin	[no description available]	medium	2	0	delta-lactone; pyranoindolizinoquinoline; quinoline alkaloid; tertiary alcohol	antineoplastic agent; EC 5.99.1.2 (DNA topoisomerase) inhibitor; genotoxin; plant metabolite
stanozolol	[no description available]	medium	1	0	17beta-hydroxy steroid; anabolic androgenic steroid; organic heteropentacyclic compound; tertiary alcohol	anabolic agent; androgen
clodronic acid	[no description available]	medium	1	0	1,1-bis(phosphonic acid); one-carbon compound; organochlorine compound	antineoplastic agent; bone density conservation agent
xipamide	[no description available]	medium	1	0	benzamides
selegiline	[no description available]	medium	2	0	selegiline; terminal acetylenic compound	geroprotector
levamisole	[no description available]	medium	2	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
thiamphenicol	[no description available]	medium	2	0	monocarboxylic acid amide; sulfone	antimicrobial agent; immunosuppressive agent
pizotyline	[no description available]	medium	1	0	benzocycloheptathiophene	histamine antagonist; muscarinic antagonist; serotonergic antagonist
isosorbide-5-mononitrate	[no description available]	medium	2	0	glucitol derivative; nitrate ester	nitric oxide donor; vasodilator agent
danazol	[no description available]	medium	1	0	17beta-hydroxy steroid; terminal acetylenic compound	anti-estrogen; estrogen antagonist; geroprotector
daunorubicin	[no description available]	medium	1	0	aminoglycoside antibiotic; anthracycline; p-quinones; tetracenequinones	antineoplastic agent; bacterial metabolite
carbimazole	[no description available]	medium	1	0	1,3-dihydroimidazole-2-thiones; carbamate ester	antithyroid drug; prodrug
bromocriptine	[no description available]	medium	2	0	indole alkaloid	antidyskinesia agent; antiparkinson drug; dopamine agonist; hormone antagonist
triamcinolone	[no description available]	medium	1	0	11beta-hydroxy steroid; 16alpha-hydroxy steroid; 17alpha-hydroxy steroid; 20-oxo steroid; 21-hydroxy steroid; 3-oxo-Delta(4) steroid; C21-steroid hormone; fluorinated steroid; glucocorticoid; primary alpha-hydroxy ketone; tertiary alpha-hydroxy ketone	anti-allergic agent; anti-inflammatory drug
oxyphenisatin	[no description available]	medium	1	0	indoles
tetrachloroethylene	[no description available]	medium	1	0	chlorocarbon; chloroethenes	nephrotoxic agent
ursodeoxycholic acid	[no description available]	medium	1	0	bile acid; C24-steroid; dihydroxy-5beta-cholanic acid	human metabolite; mouse metabolite
butachlor	[no description available]	medium	1	0	aromatic amide; organochlorine compound; tertiary carboxamide	environmental contaminant; herbicide; xenobiotic
rose bengal b disodium salt	[no description available]	medium	1	0
glutamic acid	[no description available]	medium	12	0	glutamic acid; glutamine family amino acid; L-alpha-amino acid; proteinogenic amino acid	Escherichia coli metabolite; ferroptosis inducer; micronutrient; mouse metabolite; neurotransmitter; nutraceutical
cefazolin	[no description available]	medium	2	0	beta-lactam antibiotic allergen; cephalosporin; tetrazoles; thiadiazoles	antibacterial drug
amoxicillin	[no description available]	medium	2	0	penicillin allergen; penicillin	antibacterial drug
timolol	[no description available]	medium	3	0	timolol	anti-arrhythmia drug; antiglaucoma drug; antihypertensive agent; beta-adrenergic antagonist
nicergoline	[no description available]	medium	1	0	organic heterotetracyclic compound; organonitrogen heterocyclic compound
oxcarbazepine	[no description available]	medium	1	0	cyclic ketone; dibenzoazepine	anticonvulsant; drug allergen
amineptin	[no description available]	medium	1	0	amino acid; carbocyclic fatty acid; carbotricyclic compound; secondary amino compound	antidepressant; dopamine uptake inhibitor
pirprofen	[no description available]	medium	1	0	pyrroline
tobramycin	[no description available]	medium	2	0	amino cyclitol glycoside	antibacterial agent; antimicrobial agent; toxin
paclitaxel	[no description available]	medium	3	0	taxane diterpenoid; tetracyclic diterpenoid	antineoplastic agent; human metabolite; metabolite; microtubule-stabilising agent
etoposide	[no description available]	medium	4	0	beta-D-glucoside; furonaphthodioxole; organic heterotetracyclic compound	antineoplastic agent; DNA synthesis inhibitor
dobutamine	[no description available]	medium	2	0	catecholamine; secondary amine	beta-adrenergic agonist; cardiotonic drug; sympathomimetic agent
amikacin	[no description available]	medium	3	0	alpha-D-glucoside; amino cyclitol glycoside; aminoglycoside; carboxamide	antibacterial drug; antimicrobial agent; nephrotoxin
ticrynafen	[no description available]	medium	1	0	aromatic ether; aromatic ketone; dichlorobenzene; monocarboxylic acid; thiophenes	antihypertensive agent; hepatotoxic agent; loop diuretic
methyldopa	[no description available]	medium	2	0	L-tyrosine derivative; non-proteinogenic L-alpha-amino acid	alpha-adrenergic agonist; antihypertensive agent; hapten; peripheral nervous system drug; sympatholytic agent
bezafibrate	[no description available]	medium	1	0	aromatic ether; monocarboxylic acid amide; monocarboxylic acid; monochlorobenzenes	antilipemic drug; environmental contaminant; geroprotector; xenobiotic
sq-11725	[no description available]	medium	1	0
diltiazem	[no description available]	medium	4	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
benoxaprofen	[no description available]	medium	1	0	1,3-benzoxazoles; monocarboxylic acid; monochlorobenzenes	antipsoriatic; antipyretic; EC 1.13.11.34 (arachidonate 5-lipoxygenase) inhibitor; hepatotoxic agent; nephrotoxin; non-narcotic analgesic; non-steroidal anti-inflammatory drug; protein kinase C agonist
permethrin	[no description available]	medium	1	0	cyclopropanecarboxylate ester; cyclopropanes	agrochemical; ectoparasiticide; pyrethroid ester acaricide; pyrethroid ester insecticide; scabicide
pirfenidone	[no description available]	medium	1	0	pyridone	antipyretic; non-narcotic analgesic; non-steroidal anti-inflammatory drug
desogestrel	[no description available]	medium	1	0	17beta-hydroxy steroid; terminal acetylenic compound	contraceptive drug; progestin; synthetic oral contraceptive
muzolimine	[no description available]	medium	1	0	dichlorobenzene
epirubicin	[no description available]	medium	2	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
desflurane	[no description available]	medium	1	0	organofluorine compound	inhalation anaesthetic
piperacillin	[no description available]	medium	1	0	penicillin allergen; penicillin	antibacterial drug
paroxetine	[no description available]	medium	1	0	aromatic ether; benzodioxoles; organofluorine compound; piperidines	antidepressant; anxiolytic drug; hepatotoxic agent; P450 inhibitor; serotonin uptake inhibitor
captopril	[no description available]	medium	9	0	alkanethiol; L-proline derivative; N-acylpyrrolidine; pyrrolidinemonocarboxylic acid	antihypertensive agent; EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor
cefoperazone	[no description available]	medium	1	0	cephalosporin	antibacterial drug
foscarnet sodium	[no description available]	medium	1	0	one-carbon compound; organic sodium salt	antiviral drug
moxalactam	[no description available]	medium	1	0	cephalosporin; oxacephem	antibacterial drug
nicorandil	[no description available]	medium	2	0	nitrate ester; pyridinecarboxamide	potassium channel opener; vasodilator agent
cefadroxil anhydrous	[no description available]	medium	2	0	cephalosporin	antibacterial drug
encainide	[no description available]	medium	1	0	benzamides; piperidines	anti-arrhythmia drug; sodium channel blocker
cefaclor anhydrous	[no description available]	medium	1	0	cephalosporin	antibacterial drug; drug allergen
miglustat	[no description available]	medium	1	0	piperidines; tertiary amino compound	anti-HIV agent; EC 2.4.1.80 (ceramide glucosyltransferase) inhibitor
cefotetan	[no description available]	medium	2	0
lovastatin	[no description available]	medium	1	0	delta-lactone; fatty acid ester; hexahydronaphthalenes; polyketide; statin (naturally occurring)	anticholesteremic drug; antineoplastic agent; Aspergillus metabolite; prodrug
enoximone	[no description available]	medium	1	0	aromatic ketone
piritrexim	[no description available]	medium	1	0
simvastatin	[no description available]	medium	1	0	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
pravastatin	[no description available]	medium	1	0	3-hydroxy carboxylic acid; carbobicyclic compound; carboxylic ester; hydroxy monocarboxylic acid; secondary alcohol; statin (semi-synthetic)	anticholesteremic drug; environmental contaminant; metabolite; xenobiotic
atomoxetine hydrochloride	[no description available]	medium	1	0	hydrochloride	adrenergic uptake inhibitor; antidepressant
quinapril	[no description available]	medium	2	0	dicarboxylic acid monoester; ethyl ester; isoquinolines; tertiary carboxamide	antihypertensive agent; EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor; prodrug
gepirone	[no description available]	medium	1	0	N-arylpiperazine
mifepristone	[no description available]	medium	3	0	3-oxo-Delta(4) steroid; acetylenic compound; tertiary amino compound	abortifacient; contraceptive drug; hormone antagonist; synthetic oral contraceptive
sparfloxacin	[no description available]	medium	1	0	fluoroquinolone antibiotic; N-arylpiperazine; quinolinemonocarboxylic acid; quinolone antibiotic; quinolone
zileuton	[no description available]	medium	1	0	1-benzothiophenes; ureas	anti-asthmatic drug; EC 1.13.11.34 (arachidonate 5-lipoxygenase) inhibitor; ferroptosis inhibitor; leukotriene antagonist; non-steroidal anti-inflammatory drug
clopidogrel	[no description available]	medium	1	0	methyl ester; monochlorobenzenes; thienopyridine	anticoagulant; P2Y12 receptor antagonist; platelet aggregation inhibitor
cidofovir anhydrous	[no description available]	medium	1	0	phosphonic acids; pyrimidone	anti-HIV agent; antineoplastic agent; antiviral drug; photosensitizing agent
bromfenac	[no description available]	medium	2	0	aromatic amino acid; benzophenones; organobromine compound; substituted aniline	non-narcotic analgesic; non-steroidal anti-inflammatory drug
atorvastatin	[no description available]	medium	1	0	aromatic amide; dihydroxy monocarboxylic acid; monofluorobenzenes; pyrroles; statin (synthetic)	environmental contaminant; xenobiotic
lamivudine	[no description available]	medium	2	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
duloxetine	[no description available]	medium	1	0	duloxetine
irinotecan	[no description available]	medium	1	0	carbamate ester; delta-lactone; N-acylpiperidine; pyranoindolizinoquinoline; ring assembly; tertiary alcohol; tertiary amino compound	antineoplastic agent; apoptosis inducer; EC 5.99.1.2 (DNA topoisomerase) inhibitor; prodrug
valsartan	[no description available]	medium	2	0	biphenylyltetrazole; monocarboxylic acid amide; monocarboxylic acid	angiotensin receptor antagonist; antihypertensive agent; environmental contaminant; xenobiotic
adefovir dipivoxil	[no description available]	medium	1	0	6-aminopurines; carbonate ester; ether; organic phosphonate	antiviral drug; DNA synthesis inhibitor; HIV-1 reverse transcriptase inhibitor; nephrotoxic agent; prodrug
capecitabine	[no description available]	medium	1	0	carbamate ester; cytidines; organofluorine compound	antimetabolite; antineoplastic agent; prodrug
adenosine	[no description available]	medium	6	0	adenosines; purines D-ribonucleoside	analgesic; anti-arrhythmia drug; fundamental metabolite; human metabolite; vasodilator agent
halofuginone	[no description available]	medium	1	0	quinazolines
ortho-cept	[no description available]	medium	1	0
cefprozil	[no description available]	medium	1	0	cephalosporin; semisynthetic derivative	antibacterial drug
4-[1-[4-[2-(dimethylamino)ethoxy]phenyl]-2-phenylbut-1-enyl]phenol	[no description available]	medium	1	0	stilbenoid
efavirenz	[no description available]	medium	1	0	acetylenic compound; benzoxazine; cyclopropanes; organochlorine compound; organofluorine compound	antiviral drug; HIV-1 reverse transcriptase inhibitor
nelfinavir	[no description available]	medium	1	0	aryl sulfide; benzamides; organic heterobicyclic compound; phenols; secondary alcohol; tertiary amino compound	antineoplastic agent; HIV protease inhibitor
doxapram hydrochloride	[no description available]	medium	1	0	hydrochloride	central nervous system stimulant
1,5-anhydroglucitol	[no description available]	medium	1	0	anhydro sugar	human 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
amprenavir	[no description available]	medium	1	0	carbamate ester; sulfonamide; tetrahydrofuryl ester	antiviral drug; HIV protease inhibitor
glutathione disulfide	[no description available]	medium	1	0	glutathione derivative; organic disulfide	Escherichia coli metabolite; mouse metabolite
bendamustine	[no description available]	medium	1	0	benzimidazoles
erdosteine	[no description available]	medium	1	0	N-acyl-amino acid
mizolastine	[no description available]	medium	1	0	benzimidazoles
intoplicine	[no description available]	medium	1	0	pyridoindole
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
dexfenfluramine	[no description available]	medium	1	0	fenfluramine	appetite depressant; serotonergic agonist; serotonin uptake inhibitor
2-methoxyestradiol	[no description available]	medium	2	0	17beta-hydroxy steroid; 3-hydroxy steroid	angiogenesis modulating agent; antimitotic; antineoplastic agent; human metabolite; metabolite; mouse metabolite
medetomidine	[no description available]	medium	1	0	imidazoles
sertraline	[no description available]	medium	2	0	dichlorobenzene; secondary amino compound; tetralins	antidepressant; serotonin uptake inhibitor
picosulfate sodium	[no description available]	medium	1	0	aryl sulfate; pyridines
dienogest	[no description available]	medium	1	0	17beta-hydroxy steroid; 3-oxo-Delta(4) steroid; aliphatic nitrile; steroid hormone	progesterone receptor agonist; progestin; synthetic oral contraceptive
morphazinamide	[no description available]	medium	1	0	morpholines; pyrazines; secondary carboxamide
dexrazoxane	[no description available]	medium	1	0	razoxane	antineoplastic agent; cardiovascular drug; chelator; immunosuppressive agent
voriconazole	[no description available]	medium	1	0	conazole antifungal drug; difluorobenzene; pyrimidines; tertiary alcohol; triazole antifungal drug	P450 inhibitor
cyclobutyrol	[no description available]	medium	1	0	hydroxy monocarboxylic acid	bile therapy drug
terlipressin	[no description available]	medium	1	0	polypeptide
isoflavone	[no description available]	medium	1	0	isoflavones
clevudine	[no description available]	medium	1	0
tetrandrine	[no description available]	medium	3	0	bisbenzylisoquinoline alkaloid; isoquinolines
rosiglitazone	[no description available]	medium	2	0	aminopyridine; thiazolidinediones	EC 6.2.1.3 (long-chain-fatty-acid--CoA ligase) inhibitor; ferroptosis inhibitor; insulin-sensitizing drug
clarithromycin	[no description available]	medium	2	0	macrolide antibiotic	antibacterial drug; environmental contaminant; protein synthesis inhibitor; xenobiotic
nicotine	[no description available]	high	6	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
lopinavir	[no description available]	medium	1	0	amphetamines; dicarboxylic acid diamide	anticoronaviral agent; antiviral drug; HIV protease inhibitor
sr141716	[no description available]	medium	2	0	amidopiperidine; carbohydrazide; dichlorobenzene; monochlorobenzenes; pyrazoles	anti-obesity agent; appetite depressant; CB1 receptor antagonist
bosentan anhydrous	[no description available]	medium	5	0	primary alcohol; pyrimidines; sulfonamide	antihypertensive agent; endothelin receptor antagonist
selenomethionine	[no description available]	medium	1	0	amino acid zwitterion; selenomethionine	plant metabolite
perindopril	[no description available]	medium	2	0	alpha-amino acid ester; dicarboxylic acid monoester; ethyl ester; organic heterobicyclic compound	antihypertensive agent; EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor
fingolimod	[no description available]	medium	1	0	aminodiol; primary amino compound	antineoplastic agent; CB1 receptor antagonist; immunosuppressive agent; prodrug; sphingosine-1-phosphate receptor agonist
ecteinascidin 743	[no description available]	medium	1	0	acetate ester; azaspiro compound; bridged compound; hemiaminal; isoquinoline alkaloid; lactone; organic heteropolycyclic compound; organic sulfide; oxaspiro compound; polyphenol; tertiary amino compound	alkylating agent; angiogenesis modulating agent; anti-inflammatory agent; antineoplastic agent; marine metabolite
nitisinone	[no description available]	medium	1	0	(trifluoromethyl)benzenes; C-nitro compound; cyclohexanones; mesotrione	EC 1.13.11.27 (4-hydroxyphenylpyruvate dioxygenase) inhibitor
marimastat	[no description available]	medium	1	0	hydroxamic acid; secondary carboxamide	antineoplastic agent; matrix metalloproteinase inhibitor
clofarabine	[no description available]	medium	1	0	adenosines; organofluorine compound	antimetabolite; antineoplastic agent
mitiglinide	[no description available]	medium	1	0	benzenes; monocarboxylic acid
imatinib mesylate	[no description available]	medium	4	0	methanesulfonate salt	anticoronaviral agent; antineoplastic agent; apoptosis inducer; tyrosine kinase inhibitor
gefitinib	[no description available]	medium	1	0	aromatic ether; monochlorobenzenes; monofluorobenzenes; morpholines; quinazolines; secondary amino compound; tertiary amino compound	antineoplastic agent; epidermal growth factor receptor antagonist
n(6)-(3-iodobenzyl)-5'-n-methylcarboxamidoadenosine	[no description available]	medium	1	0	adenosines; monocarboxylic acid amide; organoiodine compound	adenosine A3 receptor agonist
methotrexate	[no description available]	medium	10	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
antiprimod	[no description available]	medium	1	0
sulbactam	[no description available]	medium	1	0	penicillanic acids
olmesartan medoxomil	[no description available]	medium	1	0	biphenyls
ilomastat	[no description available]	medium	1	0	hydroxamic acid; L-tryptophan derivative; N-acyl-amino acid	anti-inflammatory agent; antibacterial agent; antineoplastic agent; EC 3.4.24.24 (gelatinase A) inhibitor; neuroprotective agent
docetaxel	[no description available]	medium	1	0	hydrate; secondary alpha-hydroxy ketone	antineoplastic agent
atazanavir	[no description available]	medium	1	0	carbohydrazide	antiviral drug; HIV protease inhibitor
levofloxacin	[no description available]	medium	3	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
ezetimibe	[no description available]	medium	1	0	azetidines; beta-lactam; organofluorine compound	anticholesteremic drug; antilipemic drug; antimetabolite
cariporide	[no description available]	medium	1	0
tezosentan	[no description available]	medium	2	0
moxifloxacin	[no description available]	medium	1	0	aromatic ether; cyclopropanes; fluoroquinolone antibiotic; pyrrolidinopiperidine; quinolinemonocarboxylic acid; quinolone antibiotic; quinolone	antibacterial drug
jtt 501	[no description available]	medium	1	0
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
cyc 202	[no description available]	medium	1	0	2,6-diaminopurines	antiviral drug; EC 2.7.11.22 (cyclin-dependent kinase) inhibitor
paromomycin	[no description available]	medium	1	0	amino cyclitol glycoside; aminoglycoside antibiotic	anthelminthic drug; antibacterial drug; antiparasitic agent; antiprotozoal drug
avasimibe	[no description available]	medium	1	0	monoterpenoid
biotin	[no description available]	medium	3	0	biotins; vitamin B7	coenzyme; cofactor; Escherichia coli metabolite; fundamental metabolite; human metabolite; mouse metabolite; nutraceutical; prosthetic group; Saccharomyces cerevisiae metabolite
atropine	[no description available]	medium	14	0
troleandomycin	[no description available]	medium	1	0	acetate ester; epoxide; macrolide antibiotic; monosaccharide derivative; polyketide; semisynthetic derivative	EC 1.14.13.97 (taurochenodeoxycholate 6alpha-hydroxylase) inhibitor; xenobiotic
deferasirox	[no description available]	medium	1	0	benzoic acids; monocarboxylic acid; phenols; triazoles	iron chelator
tbc-11251	[no description available]	medium	1	0	benzodioxoles
sitosterol, (3beta)-isomer	[no description available]	medium	1	0	3beta-hydroxy-Delta(5)-steroid; 3beta-sterol; C29-steroid; phytosterols; stigmastane sterol	anticholesteremic drug; antioxidant; mouse metabolite; plant metabolite; sterol methyltransferase inhibitor
benzarone	[no description available]	medium	1	0	1-benzofurans
estramustine	[no description available]	medium	1	0	17beta-hydroxy steroid; carbamate ester; organochlorine compound	alkylating agent; antineoplastic agent; radiation protective agent
noscapine	[no description available]	medium	1	0	aromatic ether; benzylisoquinoline alkaloid; cyclic acetal; isobenzofuranone; organic heterobicyclic compound; organic heterotricyclic compound; tertiary amino compound	antineoplastic agent; antitussive; apoptosis inducer; plant metabolite
homoharringtonine	[no description available]	medium	1	0	alkaloid ester; enol ether; organic heteropentacyclic compound; tertiary alcohol	anticoronaviral agent; antineoplastic agent; apoptosis inducer; protein synthesis inhibitor
o-(chloroacetylcarbamoyl)fumagillol	[no description available]	medium	1	0	carbamate ester; organochlorine compound; semisynthetic derivative; sesquiterpenoid; spiro-epoxide	angiogenesis inhibitor; antineoplastic agent; EC 1.5.1.3 (dihydrofolate reductase) inhibitor; methionine aminopeptidase 2 inhibitor; retinoic acid receptor alpha antagonist
bortezomib	[no description available]	medium	2	0	amino acid amide; L-phenylalanine derivative; pyrazines	antineoplastic agent; antiprotozoal drug; protease inhibitor; proteasome inhibitor
ritonavir	[no description available]	medium	1	0	1,3-thiazoles; carbamate ester; carboxamide; L-valine derivative; ureas	antiviral drug; environmental contaminant; HIV protease inhibitor; xenobiotic
nexavar	[no description available]	medium	1	0	organosulfonate salt
glucosamine	[no description available]	medium	1	0	D-glucosamine	Escherichia coli metabolite; geroprotector; mouse metabolite
quinidine	[no description available]	high	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
meropenem	[no description available]	medium	1	0	alpha,beta-unsaturated monocarboxylic acid; carbapenemcarboxylic acid; organic sulfide; pyrrolidinecarboxamide	antibacterial agent; antibacterial drug; drug allergen
griseofulvin	[no description available]	medium	2	0	1-benzofurans; antibiotic antifungal drug; benzofuran antifungal drug; organochlorine compound; oxaspiro compound	antibacterial agent; Penicillium metabolite
digitoxin	[no description available]	medium	1	0	cardenolide glycoside	EC 3.6.3.9 (Na(+)/K(+)-transporting ATPase) inhibitor
saquinavir	[no description available]	medium	1	0	L-asparagine derivative; quinolines	antiviral drug; HIV protease inhibitor
netilmicin	[no description available]	medium	2	0
trimethaphan camsylate	[no description available]	medium	1	0
erythromycin estolate	[no description available]	medium	1	0	aminoglycoside sulfate salt; erythromycin derivative	enzyme inhibitor
cyclopamine	[no description available]	medium	1	0	piperidines	glioma-associated oncogene inhibitor
devazepide	[no description available]	medium	1	0	1,4-benzodiazepinone; indolecarboxamide	antineoplastic agent; apoptosis inducer; cholecystokinin antagonist; gastrointestinal drug
tolterodine	[no description available]	medium	1	0	tertiary amine	antispasmodic drug; muscarinic antagonist; muscle relaxant
doxorubicin hydrochloride	[no description available]	medium	1	0	anthracycline
erythromycin ethylsuccinate	[no description available]	medium	1	0	cyclic ketone; erythromycin derivative; ethyl ester; succinate ester
ao 128	[no description available]	medium	1	0	organic molecular entity
acarbose	[no description available]	medium	1	0	amino cyclitol; glycoside
tretinoin	[no description available]	medium	4	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
retinol	[no description available]	medium	2	0	retinol; vitamin A	human metabolite; mouse metabolite; plant metabolite
alpha-D-fructofuranose 1,6-bisphosphate	[no description available]	medium	1	0	D-fructofuranose 1,6-bisphosphate
docosahexaenoate	[no description available]	medium	1	0	docosahexaenoic acid; omega-3 fatty acid	algal metabolite; antineoplastic agent; Daphnia tenebrosa metabolite; human metabolite; mouse metabolite; nutraceutical
oleic acid	[no description available]	medium	6	0	octadec-9-enoic acid	antioxidant; Daphnia galeata metabolite; EC 3.1.1.1 (carboxylesterase) inhibitor; Escherichia coli metabolite; mouse metabolite; plant metabolite; solvent
tacrolimus	[no description available]	medium	2	0	macrolide lactam	bacterial metabolite; immunosuppressive agent
cerivastatin	[no description available]	medium	1	0	dihydroxy monocarboxylic acid; pyridines; statin (synthetic)
rosuvastatin	[no description available]	medium	1	0	dihydroxy monocarboxylic acid; monofluorobenzenes; pyrimidines; statin (synthetic); sulfonamide	anti-inflammatory agent; antilipemic drug; cardioprotective agent; CETP inhibitor; environmental contaminant; xenobiotic
cocaine	[no description available]	high	2	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
eicosapentaenoic acid	[no description available]	medium	3	0	icosapentaenoic acid; omega-3 fatty acid	anticholesteremic drug; antidepressant; antineoplastic agent; Daphnia galeata metabolite; fungal metabolite; micronutrient; mouse metabolite; nutraceutical
mycophenolic acid	[no description available]	medium	2	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
clindamycin	[no description available]	medium	2	0
fosfomycin	[no description available]	medium	1	0	epoxide; phosphonic acids	antimicrobial agent; EC 2.5.1.7 (UDP-N-acetylglucosamine 1-carboxyvinyltransferase) inhibitor
zithromax	[no description available]	medium	2	0	macrolide antibiotic	antibacterial drug; environmental contaminant; xenobiotic
drf 2725	[no description available]	medium	1	0
diethylstilbestrol	[no description available]	medium	1	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
alitretinoin	[no description available]	medium	1	0	retinoic acid	antineoplastic agent; keratolytic drug; metabolite; retinoid X receptor agonist
decitabine	[no description available]	medium	1	0	2'-deoxyribonucleoside
teniposide	[no description available]	medium	1	0	aromatic ether; beta-D-glucoside; cyclic acetal; furonaphthodioxole; gamma-lactone; monosaccharide derivative; phenols; thiophenes	antineoplastic agent; EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor
dactinomycin	[no description available]	medium	2	0	actinomycin	mutagen
tiazofurin	[no description available]	medium	1	0	1,3-thiazoles; C-glycosyl compound; monocarboxylic acid amide	antineoplastic agent; EC 1.1.1.205 (IMP dehydrogenase) inhibitor; prodrug
melphalan	[no description available]	medium	2	0	L-phenylalanine derivative; nitrogen mustard; non-proteinogenic L-alpha-amino acid; organochlorine compound	alkylating agent; antineoplastic agent; carcinogenic agent; drug allergen; immunosuppressive agent
tenofovir	[no description available]	medium	1	0	nucleoside analogue; phosphonic acids	antiviral drug; drug metabolite; HIV-1 reverse transcriptase inhibitor
rubitecan	[no description available]	medium	1	0	C-nitro compound; delta-lactone; pyranoindolizinoquinoline; semisynthetic derivative; tertiary alcohol	antineoplastic agent; EC 5.99.1.2 (DNA topoisomerase) inhibitor; prodrug
micafungin	[no description available]	medium	1	0	antibiotic antifungal drug; echinocandin	antiinfective agent
riboflavin	[no description available]	medium	4	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
sodium bicarbonate	[no description available]	high	2	0	one-carbon compound; organic sodium salt	antacid; food anticaking agent
sodium acetate, anhydrous	[no description available]	medium	1	0	organic sodium salt	NMR chemical shift reference compound
sodium benzoate	[no description available]	medium	1	0	organic sodium salt	algal metabolite; antimicrobial food preservative; drug allergen; EC 1.13.11.33 (arachidonate 15-lipoxygenase) inhibitor; EC 3.1.1.3 (triacylglycerol lipase) inhibitor; human xenobiotic metabolite; plant metabolite
dipyrone	[no description available]	medium	1	0	organic sodium salt	anti-inflammatory agent; antipyretic; antirheumatic drug; cyclooxygenase 3 inhibitor; non-narcotic analgesic; peripheral nervous system drug; prodrug
ditiocarb sodium	[no description available]	medium	1	0	organic molecular entity
carbenoxolone	[no description available]	medium	1	0
discodermolide	[no description available]	medium	1	0	diterpenoid
cannabidiol	[no description available]	medium	1	0	olefinic compound; phytocannabinoid; resorcinols	antimicrobial agent; plant metabolite
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
prothionamide	[no description available]	medium	1	0	pyridines
etomidate	[no description available]	medium	2	0	ethyl ester; imidazoles	intravenous anaesthetic; sedative
mercaptopurine	[no description available]	medium	3	0	aryl thiol; purines; thiocarbonyl compound	anticoronaviral agent; antimetabolite; antineoplastic agent
methimazole	[no description available]	medium	1	0	1,3-dihydroimidazole-2-thiones	antithyroid drug
sulindac	[no description available]	medium	2	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
capsaicin	[no description available]	medium	63	0	capsaicinoid	non-narcotic analgesic; TRPV1 agonist; voltage-gated sodium channel blocker
terbinafine	[no description available]	medium	2	0	acetylenic compound; allylamine antifungal drug; enyne; naphthalenes; tertiary amine	EC 1.14.13.132 (squalene monooxygenase) inhibitor; P450 inhibitor; sterol biosynthesis inhibitor
thioguanine anhydrous	[no description available]	medium	1	0	2-aminopurines	anticoronaviral agent; antimetabolite; antineoplastic agent
tacrine hydrochloride	[no description available]	medium	1	0
sodium propionate	[no description available]	medium	1	0	organic sodium salt	antifungal drug; food preservative
digoxin	[no description available]	medium	2	0	cardenolide glycoside; steroid saponin	anti-arrhythmia drug; cardiotonic drug; EC 3.6.3.9 (Na(+)/K(+)-transporting ATPase) inhibitor; epitope
streptozocin	[no description available]	medium	1	0
tamoxifen	[no description available]	medium	2	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
ethionamide	[no description available]	medium	1	0	pyridines; thiocarboxamide	antilipemic drug; antitubercular agent; fatty acid synthesis inhibitor; leprostatic drug; prodrug
fusidic acid	[no description available]	medium	1	0	11alpha-hydroxy steroid; 3alpha-hydroxy steroid; alpha,beta-unsaturated monocarboxylic acid; steroid acid; steroid antibiotic; sterol ester	EC 2.7.1.33 (pantothenate kinase) inhibitor; Escherichia coli metabolite; protein synthesis inhibitor
estrone sulfate	[no description available]	medium	1	0	17-oxo steroid; steroid sulfate	human metabolite; mouse metabolite
hmr 3647	[no description available]	medium	1	0
toremifene	[no description available]	medium	2	0	aromatic ether; organochlorine compound; tertiary amine	antineoplastic agent; bone density conservation agent; estrogen antagonist; estrogen receptor modulator
telaprevir	[no description available]	medium	1	0	cyclopentapyrrole; cyclopropanes; oligopeptide; pyrazines	antiviral drug; hepatitis C protease inhibitor; peptidomimetic
droloxifene	[no description available]	medium	1	0	stilbenoid
or 1259	[no description available]	medium	1	0	hydrazone; nitrile; pyridazinone	anti-arrhythmia drug; cardiotonic drug; EC 3.1.4.17 (3',5'-cyclic-nucleotide phosphodiesterase) inhibitor; vasodilator agent
gestodene	[no description available]	medium	1	0	steroid	estrogen
orlistat	[no description available]	medium	1	0	beta-lactone; carboxylic ester; formamides; L-leucine derivative	anti-obesity agent; bacterial metabolite; EC 2.3.1.85 (fatty acid synthase) inhibitor; EC 3.1.1.3 (triacylglycerol lipase) inhibitor
idoxifene	[no description available]	medium	1	0	stilbenoid
zd 6474	[no description available]	medium	1	0	aromatic ether; organobromine compound; organofluorine compound; piperidines; quinazolines; secondary amine	antineoplastic agent; tyrosine kinase inhibitor
silybin	[no description available]	medium	1	0
chloramine-t	[no description available]	medium	1	0	organic sodium salt	allergen; antifouling biocide; disinfectant
flosequinan	[no description available]	medium	1	0	quinolines
tolcapone	[no description available]	medium	2	0	2-nitrophenols; benzophenones; catechols	antiparkinson drug; EC 2.1.1.6 (catechol O-methyltransferase) inhibitor
dinoprostone	[no description available]	medium	11	0	prostaglandins E	human metabolite; mouse metabolite; oxytocic
dinoprost	[no description available]	medium	6	0	monocarboxylic acid; prostaglandins Falpha	human metabolite; mouse metabolite
calcitriol	[no description available]	medium	3	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	2	0	carotenoid beta-end derivative; cyclic carotene	antioxidant; biological pigment; cofactor; ferroptosis inhibitor; human metabolite; mouse metabolite; plant metabolite; provitamin A
alprostadil	[no description available]	medium	3	0	prostaglandins E	anticoagulant; human metabolite; platelet aggregation inhibitor; vasodilator agent
cholecalciferol	[no description available]	medium	3	0	D3 vitamins; hydroxy seco-steroid; seco-cholestane; secondary alcohol; steroid hormone	geroprotector; human metabolite
amphotericin b	[no description available]	medium	1	0	antibiotic antifungal drug; macrolide antibiotic; polyene antibiotic	antiamoebic agent; antiprotozoal drug; bacterial metabolite
clavulanic acid	[no description available]	medium	2	0	oxapenam	antibacterial drug; anxiolytic drug; bacterial metabolite; EC 3.5.2.6 (beta-lactamase) inhibitor
pulmicort	[no description available]	medium	2	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
oxymetholone	[no description available]	medium	1	0
montelukast	[no description available]	medium	2	0	aliphatic sulfide; monocarboxylic acid; quinolines	anti-arrhythmia drug; anti-asthmatic drug; leukotriene antagonist
mycophenolate mofetil	[no description available]	medium	1	0	carboxylic ester; ether; gamma-lactone; phenols; tertiary amino compound	anticoronaviral agent; EC 1.1.1.205 (IMP dehydrogenase) inhibitor; immunosuppressive agent; prodrug
entacapone	[no description available]	medium	1	0	2-nitrophenols; catechols; monocarboxylic acid amide; nitrile	antidyskinesia agent; antiparkinson drug; central nervous system drug; EC 2.1.1.6 (catechol O-methyltransferase) inhibitor
astaxanthine	[no description available]	medium	1	0	carotenol; carotenone	animal metabolite; anticoagulant; antioxidant; food colouring; plant metabolite
diosmin	[no description available]	medium	1	0	dihydroxyflavanone; disaccharide derivative; glycosyloxyflavone; monomethoxyflavone; rutinoside	anti-inflammatory agent; antioxidant
cynarine	[no description available]	medium	1	0	alkyl caffeate ester; quinic acid	plant metabolite
sdz psc 833	[no description available]	medium	1	0	homodetic cyclic peptide
coenzyme q10	[no description available]	medium	1	0	ubiquinones	antioxidant; ferroptosis inhibitor; human metabolite
tranilast	[no description available]	medium	1	0	amidobenzoic acid; cinnamamides; dimethoxybenzene; secondary carboxamide	anti-allergic agent; anti-asthmatic drug; antineoplastic agent; aryl hydrocarbon receptor agonist; calcium channel blocker; hepatoprotective agent; nephroprotective agent
etretinate	[no description available]	medium	2	0	enoate ester; ethyl ester; retinoid	keratolytic drug
isotretinoin	[no description available]	medium	1	0	retinoic acid	antineoplastic agent; keratolytic drug; teratogenic agent
misoprostol	[no description available]	medium	2	0
ozagrel	[no description available]	medium	5	0	cinnamic acids
pitavastatin	[no description available]	medium	1	0	cyclopropanes; dihydroxy monocarboxylic acid; monofluorobenzenes; quinolines; statin (synthetic)	antioxidant
alatrofloxacin mesylate	[no description available]	medium	1	0
codeine	[no description available]	medium	1	0	morphinane alkaloid; organic heteropentacyclic compound	antitussive; drug allergen; environmental contaminant; opioid analgesic; opioid receptor agonist; prodrug; xenobiotic
cyclosporine	[no description available]	medium	1	0	homodetic cyclic peptide	anti-asthmatic drug; anticoronaviral agent; antifungal agent; antirheumatic drug; carcinogenic agent; dermatologic drug; EC 3.1.3.16 (phosphoprotein phosphatase) inhibitor; geroprotector; immunosuppressive agent; metabolite
natamycin	[no description available]	medium	2	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
acitretin	[no description available]	medium	1	0	acitretin; alpha,beta-unsaturated monocarboxylic acid; retinoid	keratolytic drug
dothiepin	[no description available]	medium	1	0	dothiepin
levetiracetam	[no description available]	medium	2	0	pyrrolidin-2-ones	anticonvulsant; environmental contaminant; xenobiotic
nalorphine	[no description available]	medium	1	0	morphinane alkaloid
naloxone	[no description available]	medium	9	0	morphinane alkaloid; organic heteropentacyclic compound; tertiary alcohol	antidote to opioid poisoning; central nervous system depressant; mu-opioid receptor antagonist
oxymorphone	[no description available]	medium	2	0	morphinane alkaloid
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
topiramate	[no description available]	medium	1	0	cyclic ketal; ketohexose derivative; sulfamate ester	anticonvulsant; sodium channel blocker
alvocidib	[no description available]	medium	1	0	dihydroxyflavone; hydroxypiperidine; monochlorobenzenes; tertiary amino compound	antineoplastic agent; antirheumatic drug; apoptosis inducer; EC 2.7.11.22 (cyclin-dependent kinase) inhibitor
seocalcitol	[no description available]	medium	1	0
fenretinide	[no description available]	medium	1	0	monocarboxylic acid amide; retinoid	antineoplastic agent; antioxidant
geldanamycin	[no description available]	medium	1	0	1,4-benzoquinones; ansamycin; carbamate ester; organic heterobicyclic compound	antimicrobial agent; antineoplastic agent; antiviral agent; cysteine protease inhibitor; Hsp90 inhibitor
morphine	[no description available]	medium	7	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
demycarosylturimycin h	[no description available]	medium	1	0
iloprost	[no description available]	medium	2	0	carbobicyclic compound; monocarboxylic acid; secondary alcohol	platelet aggregation inhibitor; vasodilator agent
vinorelbine	[no description available]	medium	1	0	acetate ester; methyl ester; organic heteropentacyclic compound; organic heterotetracyclic compound; ring assembly; vinca alkaloid	antineoplastic agent; photosensitizing agent
furazolidone	[no description available]	medium	1	0
fluvoxamine	[no description available]	medium	3	0	(trifluoromethyl)benzenes; 5-methoxyvalerophenone O-(2-aminoethyl)oxime	antidepressant; anxiolytic drug; serotonin uptake inhibitor
semaxinib	[no description available]	medium	1	0	olefinic compound; oxindoles; pyrroles	angiogenesis modulating agent; antineoplastic agent; EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor; vascular endothelial growth factor receptor antagonist
orantinib	[no description available]	medium	1	0
(6E)-7-[3-(4-fluorophenyl)-1-(propan-2-yl)-1H-indol-2-yl]-3,5-dihydroxyhept-6-enoic acid	[no description available]	medium	1	0	dihydroxy monocarboxylic acid; indoles; organofluorine compound
molsidomine	[no description available]	medium	1	0	ethyl ester; morpholines; oxadiazole; zwitterion	antioxidant; apoptosis inhibitor; cardioprotective agent; nitric oxide donor; vasodilator agent
naltrexone	[no description available]	medium	2	0	cyclopropanes; morphinane-like compound; organic heteropentacyclic compound	antidote to opioid poisoning; central nervous system depressant; environmental contaminant; mu-opioid receptor antagonist; xenobiotic
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
cefixime	[no description available]	medium	2	0	cephalosporin	antibacterial drug; drug allergen
lisinopril	[no description available]	medium	1	0	dipeptide	EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor
ramipril	[no description available]	medium	2	0	azabicycloalkane; cyclopentapyrrole; dicarboxylic acid monoester; dipeptide; ethyl ester	bradykinin receptor B2 agonist; cardioprotective agent; EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor; matrix metalloproteinase inhibitor; prodrug
indinavir sulfate	[no description available]	medium	1	0	dicarboxylic acid diamide; N-(2-hydroxyethyl)piperazine; piperazinecarboxamide	HIV protease inhibitor
enalapril	[no description available]	medium	3	0	dicarboxylic acid monoester; dipeptide	antihypertensive agent; EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor; geroprotector; prodrug
nitrofurazone	[no description available]	medium	1	0
bleomycin	[no description available]	medium	1	0	bleomycin	antineoplastic agent; metabolite
enalaprilat anhydrous	[no description available]	medium	3	0	dicarboxylic acid; dipeptide	antihypertensive agent; EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor
imidapril	[no description available]	medium	1	0	dicarboxylic acid monoester; dipeptide; ethyl ester; imidazolidines; N-acylurea; secondary amino compound	antihypertensive agent; EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor; prodrug
sulindac sulfone	[no description available]	medium	1	0	monocarboxylic acid; organofluorine compound; sulfone	apoptosis inducer; cyclooxygenase 2 inhibitor; EC 1.13.11.34 (arachidonate 5-lipoxygenase) inhibitor
ximelagatran	[no description available]	medium	1	0	amidoxime; azetidines; carboxamide; ethyl ester; hydroxylamines; secondary amino compound; secondary carboxamide; tertiary carboxamide	anticoagulant; EC 3.4.21.5 (thrombin) inhibitor; prodrug; serine protease inhibitor
ceftriaxone	[no description available]	medium	2	0	1,2,4-triazines; 1,3-thiazoles; cephalosporin; oxime O-ether	antibacterial drug; drug allergen; EC 3.5.2.6 (beta-lactamase) inhibitor
trandolapril	[no description available]	medium	2	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
guanabenz acetate	[no description available]	medium	1	0	dichlorobenzene	geroprotector
famotidine	[no description available]	medium	1	0	1,3-thiazoles; guanidines; sulfonamide	anti-ulcer drug; H2-receptor antagonist; P450 inhibitor
cefotaxime	[no description available]	medium	2	0	1,3-thiazoles; cephalosporin; oxime O-ether	antibacterial drug; drug allergen
aztreonam	[no description available]	medium	1	0	beta-lactam antibiotic allergen; monobactam	antibacterial drug; drug allergen; EC 2.4.1.129 (peptidoglycan glycosyltransferase) inhibitor
proguanil	[no description available]	medium	1	0	biguanides; monochlorobenzenes	antimalarial; antiprotozoal drug; EC 1.5.1.3 (dihydrofolate reductase) inhibitor
rifamycin sv	[no description available]	medium	1	0	acetate ester; cyclic ketal; lactam; macrocycle; organic heterotetracyclic compound; polyphenol; rifamycins	antimicrobial agent; antitubercular agent; bacterial metabolite
epoprostenol sodium	[no description available]	medium	1	0	prostanoid
ixabepilone	[no description available]	medium	1	0	1,3-thiazoles; beta-hydroxy ketone; epoxide; lactam; macrocycle	antineoplastic agent; microtubule-destabilising agent
azlocillin	[no description available]	medium	1	0	penicillin allergen; penicillin; semisynthetic derivative	antibacterial drug
dantrolene sodium	[no description available]	medium	1	0
nitrofurantoin	[no description available]	medium	2	0	imidazolidine-2,4-dione; nitrofuran antibiotic; organonitrogen heterocyclic antibiotic; organooxygen heterocyclic antibiotic	antibacterial drug; antiinfective agent; hepatotoxic agent
nifurtimox	[no description available]	medium	1	0	nitrofuran antibiotic
roxithromycin	[no description available]	medium	1	0	roxithromycin	environmental contaminant; xenobiotic
beraprost	[no description available]	medium	1	0	enyne; monocarboxylic acid; organic heterotricyclic compound; secondary alcohol; secondary allylic alcohol	anti-inflammatory agent; antihypertensive agent; platelet aggregation inhibitor; prostaglandin receptor agonist; vasodilator agent
lanreotide	[no description available]	medium	1	0
lu 208075	[no description available]	medium	1	0	diarylmethane
acetylcarnitine	[no description available]	medium	1	0	O-acetylcarnitine; saturated fatty acyl-L-carnitine	human metabolite; Saccharomyces cerevisiae metabolite
nifurtoinol	[no description available]	medium	1	0	hydrazone; imidazolidine-2,4-dione; nitrofuran antibiotic; organonitrogen heterocyclic antibiotic	antibacterial drug; antiinfective agent; hepatotoxic agent
fosinopril	[no description available]	medium	2	0
eflucimibe	[no description available]	medium	1	0
etomoxir	[no description available]	medium	1	0	aromatic ether
pentagastrin	[no description available]	medium	1	0	organic molecular entity
gentamicin sulfate	[no description available]	medium	1	0
azd 6244	[no description available]	medium	1	0	benzimidazoles; bromobenzenes; hydroxamic acid ester; monochlorobenzenes; organofluorine compound; secondary amino compound	anticoronaviral agent; antineoplastic agent; EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor
vinflunine	[no description available]	medium	1	0	acetate ester; methyl ester; organic heteropentacyclic compound; organic heterotetracyclic compound; semisynthetic derivative; vinca alkaloid	antineoplastic agent
baci-im	[no description available]	medium	1	0	homodetic cyclic peptide; polypeptide; zwitterion	antibacterial agent; antimicrobial agent
pf 03491390	[no description available]	medium	1	0
amodiaquine hydrochloride	[no description available]	medium	2	0
tannins	[no description available]	medium	2	0	tannin
mesna	[no description available]	medium	1	0	organosulfonic acid
cerivastatin sodium	[no description available]	medium	1	0	organic sodium salt; statin (synthetic)
monensin	[no description available]	medium	1	0
oxacillin sodium	[no description available]	medium	1	0	organic sodium salt
sodium diatrizoate	[no description available]	medium	1	0	organic sodium salt; organoiodine compound	radioopaque medium
ascorbic acid	[no description available]	medium	4	0	ascorbic acid; vitamin C	coenzyme; cofactor; flour treatment agent; food antioxidant; food colour retention agent; geroprotector; plant metabolite; skin lightening agent
novobiocin	[no description available]	medium	2	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	3	0
chlortetracycline	[no description available]	medium	2	0
oxytetracycline, anhydrous	[no description available]	medium	2	0
minocycline	[no description available]	medium	3	0
dicumarol	[no description available]	medium	1	0	hydroxycoumarin	anticoagulant; EC 1.6.5.2 [NAD(P)H dehydrogenase (quinone)] inhibitor; Hsp90 inhibitor; vitamin K antagonist
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
acenocoumarol	[no description available]	medium	1	0	C-nitro compound; hydroxycoumarin; methyl ketone	anticoagulant; EC 1.6.5.2 [NAD(P)H dehydrogenase (quinone)] inhibitor
mobic	[no description available]	medium	2	0	1,3-thiazoles; benzothiazine; monocarboxylic acid amide	analgesic; antirheumatic drug; cyclooxygenase 2 inhibitor; non-steroidal anti-inflammatory drug
mobiflex	[no description available]	medium	1	0	heteroaryl hydroxy compound; monocarboxylic acid amide; pyridines; thienothiazine	antipyretic; EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor; non-narcotic analgesic; non-steroidal anti-inflammatory drug
warfarin	[no description available]	medium	3	0	benzenes; hydroxycoumarin; methyl ketone
phenprocoumon	[no description available]	medium	2	0	hydroxycoumarin	anticoagulant; EC 1.6.5.2 [NAD(P)H dehydrogenase (quinone)] inhibitor
rolitetracycline	[no description available]	medium	2	0
lornoxicam	[no description available]	medium	1	0	heteroaryl hydroxy compound; monocarboxylic acid amide; organochlorine compound; pyridines; thienothiazine	antipyretic; non-narcotic analgesic; non-steroidal anti-inflammatory drug
ajmaline	[no description available]	medium	1	0
entecavir	[no description available]	medium	1	0	2-aminopurines; oxopurine; primary alcohol; secondary alcohol	antiviral drug; EC 2.7.7.49 (RNA-directed DNA polymerase) inhibitor
acyclovir	[no description available]	medium	1	0	2-aminopurines; oxopurine	antimetabolite; antiviral drug
inosine	[no description available]	medium	1	0	inosines; purines D-ribonucleoside	Escherichia coli metabolite; human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite
folic acid	[no description available]	medium	2	0	folic acids; N-acyl-amino acid	human metabolite; mouse metabolite; nutrient
rifampin	[no description available]	medium	1	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
clozapine	[no description available]	medium	2	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
didanosine	[no description available]	medium	1	0	purine 2',3'-dideoxyribonucleoside	antimetabolite; antiviral drug; EC 2.4.2.1 (purine-nucleoside phosphorylase) inhibitor; geroprotector; HIV-1 reverse transcriptase inhibitor
ganciclovir	[no description available]	medium	1	0	2-aminopurines; oxopurine	antiinfective agent; antiviral drug
sildenafil	[no description available]	medium	1	0	piperazines; pyrazolopyrimidine; sulfonamide	EC 3.1.4.35 (3',5'-cyclic-GMP phosphodiesterase) inhibitor; vasodilator agent
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
penciclovir	[no description available]	medium	1	0	2-aminopurines; propane-1,3-diols	antiviral drug
oxypurinol	[no description available]	medium	1	0	pyrazolopyrimidine	drug metabolite; EC 1.17.3.2 (xanthine oxidase) inhibitor
raltitrexed	[no description available]	medium	1	0	N-acyl-amino acid
allopurinol	[no description available]	medium	7	0	nucleobase analogue; organic heterobicyclic compound	antimetabolite; EC 1.17.3.2 (xanthine oxidase) inhibitor; gout suppressant; radical scavenger
leucovorin	[no description available]	medium	1	0	formyltetrahydrofolic acid	Escherichia coli metabolite; mouse metabolite
alanosine	[no description available]	medium	1	0
tirapazamine	[no description available]	medium	1	0	aromatic amine; benzotriazines; N-oxide	antibacterial agent; antineoplastic agent; apoptosis inducer
rifabutin	[no description available]	medium	1	0
benzyl alcohol	[no description available]	medium	1	0	benzyl alcohols	antioxidant; fragrance; metabolite; solvent
alpha-glycerophosphoric acid	[no description available]	medium	1	0	glycerol monophosphate	algal metabolite; human metabolite
histamine	[no description available]	medium	59	0	aralkylamino compound; imidazoles	human metabolite; mouse metabolite; neurotransmitter
succinic acid	[no description available]	medium	1	0	alpha,omega-dicarboxylic acid; C4-dicarboxylic acid	anti-ulcer drug; fundamental metabolite; micronutrient; nutraceutical; radiation protective agent
methacholine	[no description available]	medium	1	0	acetate ester; quaternary ammonium ion	bronchoconstrictor agent; cholinergic agonist; epitope; muscarinic agonist; vasodilator agent
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
benzamide	[no description available]	medium	1	0	benzamides
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
metrizoate	[no description available]	medium	1	0	monocarboxylic acid	radioopaque medium
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
chlorcyclizine	[no description available]	medium	1	0	diarylmethane
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
clomipramine	[no description available]	medium	2	0	dibenzoazepine	anticoronaviral agent; antidepressant; EC 1.8.1.12 (trypanothione-disulfide reductase) inhibitor; serotonergic antagonist; serotonergic drug; serotonin uptake inhibitor
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
desipramine	[no description available]	medium	1	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
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
doxylamine	[no description available]	medium	1	0	pyridines; tertiary amine	anti-allergic agent; antiemetic; antitussive; cholinergic antagonist; H1-receptor antagonist; histamine antagonist; sedative
dyphylline	[no description available]	medium	1	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
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	3	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
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
guanethidine	[no description available]	medium	3	0	azocanes; guanidines	adrenergic antagonist; antihypertensive agent; sympatholytic agent
hexylresorcinol	[no description available]	medium	1	0	resorcinols
homochlorocyclizine	[no description available]	medium	1	0	diarylmethane
hydroflumethiazide	[no description available]	medium	1	0	benzothiadiazine; thiazide	antihypertensive agent; diuretic
iodamide	[no description available]	medium	1	0	benzoic acids; organoiodine compound	radioopaque medium
iothalamic acid	[no description available]	medium	2	0	organic molecular entity
isopropamide iodide	[no description available]	medium	1	0	diarylmethane
ketotifen	[no description available]	medium	4	0	cyclic ketone; olefinic compound; organic heterotricyclic compound; organosulfur heterocyclic compound; piperidines; tertiary amino compound	anti-asthmatic drug; H1-receptor antagonist
loratadine	[no description available]	medium	1	0	benzocycloheptapyridine; ethyl ester; N-acylpiperidine; organochlorine compound; tertiary carboxamide	anti-allergic agent; cholinergic antagonist; geroprotector; H1-receptor antagonist
lorazepam	[no description available]	medium	1	0	benzodiazepine
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	2	0	adamantanes; primary aliphatic amine	antidepressant; antiparkinson drug; dopaminergic agent; neuroprotective agent; NMDA receptor antagonist
mesoridazine	[no description available]	medium	1	0	phenothiazines; sulfoxide; tertiary amino compound	dopaminergic antagonist; first generation antipsychotic
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
nimetazepam	[no description available]	medium	1	0	1,4-benzodiazepinone; C-nitro compound	anticonvulsant; antispasmodic drug; GABA modulator; sedative
nomifensine	[no description available]	medium	1	0	isoquinolines	dopamine uptake inhibitor
ofloxacin	[no description available]	medium	2	0	3-oxo monocarboxylic acid; N-arylpiperazine; N-methylpiperazine; organofluorine compound; oxazinoquinoline
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	1	0	aromatic amine
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
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	2	0	pyridochromene
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
promazine	[no description available]	medium	1	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
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
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
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	1	0	barbiturates	anaesthesia adjuvant; GABA modulator; sedative
ipodate	[no description available]	medium	1	0
succinylcholine	[no description available]	medium	1	0	quaternary ammonium ion; succinate ester	drug allergen; muscle relaxant; neuromuscular agent
sulfobromophthalein	[no description available]	medium	1	0	2-benzofurans; organobromine compound; organosulfonic acid; phenols	dye
sumatriptan	[no description available]	medium	4	0	sulfonamide; tryptamines	serotonergic agonist; vasoconstrictor agent
terazosin	[no description available]	medium	1	0	furans; piperazines; primary amino compound; quinazolines	alpha-adrenergic antagonist; antihypertensive agent; antineoplastic agent
tiaramide	[no description available]	medium	1	0	benzothiazoles
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
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	1	0	trihydroxybenzoic acid
trimipramine	[no description available]	medium	1	0	dibenzoazepine; tertiary amino compound	antidepressant; environmental contaminant; xenobiotic
tripelennamine	[no description available]	medium	1	0	aromatic amine
delavirdine	[no description available]	medium	1	0	aminopyridine; indolecarboxamide; N-acylpiperazine; sulfonamide	antiviral drug; HIV-1 reverse transcriptase inhibitor
lysergic acid diethylamide	[no description available]	medium	1	0	ergoline alkaloid; monocarboxylic acid amide; organic heterotetracyclic compound	dopamine agonist; hallucinogen; serotonergic agonist
norethandrolone	[no description available]	medium	1	0	corticosteroid hormone
desoxycorticosterone acetate	[no description available]	medium	1	0	corticosteroid hormone
lysine	[no description available]	medium	2	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
cysteamine	[no description available]	medium	2	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	3	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
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	1	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	1	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
anileridine	[no description available]	medium	1	0	ethyl ester; piperidinecarboxylate ester; substituted aniline	opioid analgesic; opioid receptor agonist
ditiocarb	[no description available]	medium	2	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
norchlorcyclizine	[no description available]	medium	1	0
opipramol	[no description available]	medium	1	0	dibenzoazepine
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	1	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
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	1	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
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
butaperazine	[no description available]	medium	1	0	phenothiazines
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	1	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
acetophenazine	[no description available]	medium	1	0	N-(2-hydroxyethyl)piperazine; N-alkylpiperazine; phenothiazines	phenothiazine antipsychotic drug
cephaloglycin	[no description available]	medium	1	0	beta-lactam antibiotic allergen; cephalosporin	antimicrobial agent
noxiptilin	[no description available]	medium	1	0	organic tricyclic compound
metocurine	[no description available]	medium	1	0	isoquinolines
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
clobutinol	[no description available]	medium	1	0	benzenes; organic amino compound
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
indoramin	[no description available]	medium	1	0	tryptamines
moricizine	[no description available]	medium	1	0	carbamate ester; morpholines; phenothiazines	anti-arrhythmia drug
feprazone	[no description available]	medium	1	0	organic molecular entity
halofantrine	[no description available]	medium	1	0	phenanthrenes
etidocaine	[no description available]	medium	1	0	amino acid amide	local anaesthetic
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
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
ziprasidone	[no description available]	medium	1	0	1,2-benzisothiazole; indolones; organochlorine compound; piperazines	antipsychotic agent; dopaminergic antagonist; histamine antagonist; muscarinic antagonist; psychotropic drug; serotonergic antagonist
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
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
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
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	1	0	D-xylose
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
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
dibekacin	[no description available]	medium	1	0	kanamycins	antibacterial agent; protein synthesis inhibitor
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	1	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
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
1,4-benzoquinone guanylhydrazone thiosemicarbazone	[no description available]	medium	1	0
zeranol	[no description available]	medium	1	0	macrolide
thiopental	[no description available]	medium	2	0	barbiturates	anticonvulsant; drug allergen; environmental contaminant; intravenous anaesthetic; sedative; xenobiotic
albutoin	[no description available]	medium	1	0	organonitrogen compound; organooxygen compound
iodothiouracil	[no description available]	medium	1	0	organohalogen compound; pyrimidines
bilirubin	[no description available]	medium	2	0	biladienes; dicarboxylic acid	antioxidant; human metabolite; mouse metabolite
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
epoprostenol	[no description available]	medium	1	0	prostaglandins I	mouse metabolite
triprolidine	[no description available]	medium	2	0	N-alkylpyrrolidine; olefinic compound; pyridines	H1-receptor antagonist
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
meprednisone	[no description available]	medium	1	0	21-hydroxy steroid
acepreval	[no description available]	medium	1	0	corticosteroid hormone
proscillaridin	[no description available]	medium	1	0	organic molecular entity
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
zimeldine	[no description available]	medium	1	0	styrenes
ceftazidime	[no description available]	medium	1	0	cephalosporin; oxime O-ether	antibacterial drug; drug allergen; EC 2.4.1.129 (peptidoglycan glycosyltransferase) inhibitor
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
bephenium hydroxynaphthoate	[no description available]	medium	1	0
viomycin	[no description available]	medium	1	0	heterodetic cyclic peptide; peptide antibiotic	antitubercular agent
damnacanthal	[no description available]	medium	1	0	aldehyde; monohydroxyanthraquinone
indigotindisulfonate	[no description available]	medium	1	0
congo red	[no description available]	medium	14	0	bis(azo) compound
c.i. direct red 23	[no description available]	medium	1	0
nsc 117199	[no description available]	medium	1	0
ubistatin a	[no description available]	medium	1	0
1-naphthol-8-amino-3,6-disulfonic acid	[no description available]	medium	1	0
4-nonylphenol	[no description available]	medium	1	0	phenols	environmental contaminant
ag 127	[no description available]	medium	1	0	nitrophenol
benzyl isothiocyanate	[no description available]	medium	1	0	benzenes; isothiocyanate	antibacterial drug
bithionol	[no description available]	medium	1	0	aryl sulfide; bridged diphenyl antifungal drug; bridged diphenyl fungicide; dichlorobenzene; organochlorine pesticide; polyphenol	antifungal agrochemical; antiplatyhelmintic drug
candesartan	[no description available]	medium	4	0	benzimidazolecarboxylic acid; biphenylyltetrazole	angiotensin receptor antagonist; antihypertensive agent; environmental contaminant; xenobiotic
dephostatin	[no description available]	medium	1	0
dichlorophen	[no description available]	medium	1	0	bridged diphenyl fungicide; diarylmethane
2,3-dimethoxy-1,4-naphthoquinone	[no description available]	medium	1	0	1,4-naphthoquinones
harmalol	[no description available]	medium	1	0	harmala alkaloid	algal metabolite; EC 1.4.3.4 (monoamine oxidase) inhibitor
juglone	[no description available]	medium	1	0	hydroxy-1,4-naphthoquinone	geroprotector; herbicide; reactive oxygen species generator
lapachol	[no description available]	medium	1	0
patulin	[no description available]	medium	1	0	furopyran; gamma-lactone; lactol	antimicrobial agent; Aspergillus metabolite; carcinogenic agent; mutagen; mycotoxin; Penicillium metabolite
protoporphyrin ix	[no description available]	medium	1	0
3-[(3,5-dibromo-4-hydroxyphenyl)methylidene]-5-iodo-1H-indol-2-one	[no description available]	medium	1	0	indoles
alloxan	[no description available]	medium	4	0	pyrimidone	hyperglycemic agent; metabolite
purpurin	[no description available]	medium	1	0	trihydroxyanthraquinone	biological pigment; histological dye; plant metabolite
lawsone	[no description available]	medium	1	0
chloranil	[no description available]	medium	1	0	1,4-benzoquinones; organochlorine compound	EC 2.7.1.33 (pantothenate kinase) inhibitor; metabolite
benzethonium chloride	[no description available]	medium	1	0	aromatic ether; chloride salt; quaternary ammonium salt	antibacterial agent; antifungal agent; antiseptic drug; antiviral agent; disinfectant
1,4-naphthoquinone	[no description available]	medium	1	0	1,4-naphthoquinones
lithocholic acid	[no description available]	medium	1	0	bile acid; C24-steroid; monohydroxy-5beta-cholanic acid	geroprotector; human metabolite; mouse metabolite
plumbagin	[no description available]	medium	1	0	hydroxy-1,4-naphthoquinone; phenols	anticoagulant; antineoplastic agent; immunological adjuvant; metabolite
apiole	[no description available]	medium	1	0	benzodioxoles	metabolite
agaric acid	[no description available]	medium	1	0
ethidium bromide	[no description available]	medium	1	0	organic bromide salt	geroprotector; intercalator; trypanocidal drug
2-methoxy-1,4-naphthoquinone	[no description available]	medium	1	0	1,4-naphthoquinones; enol ether	antimicrobial agent; metabolite; plant metabolite
cetylpyridinium chloride	[no description available]	medium	1	0	hydrate
diacerein	[no description available]	medium	1	0	anthraquinone
closantel	[no description available]	medium	1	0	aromatic amide; monocarboxylic acid amide; monochlorobenzenes; nitrile; organoiodine compound; phenols
adapalene	[no description available]	medium	2	0	adamantanes; monocarboxylic acid; naphthoic acid	dermatologic drug; EC 2.7.11.22 (cyclin-dependent kinase) inhibitor; non-steroidal anti-inflammatory drug
epigallocatechin gallate	[no description available]	medium	1	0	flavans; gallate ester; polyphenol	antineoplastic agent; antioxidant; apoptosis inducer; geroprotector; Hsp90 inhibitor; neuroprotective agent; plant metabolite
sennoside A	[no description available]	medium	1	0	oxo dicarboxylic acid; sennosides
lobaric acid	[no description available]	medium	1	0	carbonyl compound
zpck	[no description available]	medium	1	0
6-hydroxydopa	[no description available]	medium	1	0	non-proteinogenic alpha-amino acid
epicatechin gallate	[no description available]	medium	1	0	catechin; gallate ester; polyphenol	EC 3.2.1.1 (alpha-amylase) inhibitor; EC 3.2.1.20 (alpha-glucosidase) inhibitor; metabolite
sb 204070a	[no description available]	medium	1	0
celastrol	[no description available]	medium	1	0	monocarboxylic acid; pentacyclic triterpenoid	anti-inflammatory drug; antineoplastic agent; antioxidant; EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor; Hsp90 inhibitor; metabolite
oxidopamine hydrochloride	[no description available]	medium	1	0
tanshinone ii a	[no description available]	medium	1	0	abietane diterpenoid
solidagenone	[no description available]	medium	1	0
gossypol acetic acid	[no description available]	medium	1	0
tosylphenylalanyl chloromethyl ketone	[no description available]	medium	1	0	alpha-chloroketone; sulfonamide	alkylating agent; serine proteinase inhibitor
euphol	[no description available]	medium	1	0	triterpenoid
s-(4-azidophenacyl)glutathione	[no description available]	medium	1	0	peptide
arachidonic acid	[no description available]	medium	11	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
4'-methoxychalcone	[no description available]	medium	1	0	chalcones
calmidazolium	[no description available]	medium	1	0	organic chloride salt	apoptosis inducer; calmodulin antagonist
parthenolide, (1ar-(1ar,4e,7as,10as,10br))-isomer	[no description available]	medium	1	0	germacranolide
curcumin	[no description available]	medium	2	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
curcumin	[no description available]	medium	2	1	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
succimer	[no description available]	medium	1	0	dicarboxylic acid; dithiol; sulfur-containing carboxylic acid	chelator
l 663536	[no description available]	medium	1	0	aryl sulfide; indoles; monocarboxylic acid; monochlorobenzenes	antineoplastic agent; EC 1.13.11.34 (arachidonate 5-lipoxygenase) inhibitor; leukotriene antagonist
retinol palmitate	[no description available]	medium	1	0	all-trans-retinyl ester; retinyl palmitate	antioxidant; Escherichia coli metabolite; human xenobiotic metabolite
gossypetin	[no description available]	medium	1	0	7-hydroxyflavonol; hexahydroxyflavone	plant metabolite
vitamin d 2	[no description available]	medium	1	0	hydroxy seco-steroid; seco-ergostane; vitamin D	bone density conservation agent; nutraceutical; plant metabolite; rodenticide
mangostin	[no description available]	medium	1	0	aromatic ether; phenols; xanthones	antimicrobial agent; antineoplastic agent; antioxidant; plant metabolite
morin	[no description available]	medium	1	0	7-hydroxyflavonol; pentahydroxyflavone	angiogenesis modulating agent; anti-inflammatory agent; antibacterial agent; antihypertensive agent; antineoplastic agent; antioxidant; EC 5.99.1.2 (DNA topoisomerase) inhibitor; hepatoprotective agent; metabolite; neuroprotective agent
rottlerin	[no description available]	medium	2	0	aromatic ketone; benzenetriol; chromenol; enone; methyl ketone	anti-allergic agent; antihypertensive agent; antineoplastic agent; apoptosis inducer; K-ATP channel agonist; metabolite
n-oleoyldopamine	[no description available]	medium	1	0	catechols; fatty amide; N-(fatty acyl)-dopamine; secondary carboxamide	TRPV1 agonist
4-hydroxychalcone	[no description available]	medium	1	0	chalcones; phenols	antihypertensive agent; plant metabolite
4'-hydroxychalcone	[no description available]	medium	1	0	chalcones; phenols	anti-inflammatory agent; antineoplastic agent
ethamolin	[no description available]	medium	1	0	long-chain fatty acid
phenoxybenzamine hydrochloride	[no description available]	medium	1	0	organic molecular entity
4-(2-(5,6,7,8-tetrahydro-5,5,8,8-tetramethyl-2-naphthalenyl)-1-propenyl)benzoic acid	[no description available]	medium	2	0	benzoic acids; naphthalenes; retinoid	antineoplastic agent; retinoic acid receptor agonist; teratogenic agent
nalbuphine	[no description available]	medium	1	0	organic heteropentacyclic compound	mu-opioid receptor antagonist; opioid analgesic
7,7-dimethyl-5,8-eicosadienoic acid	[no description available]	medium	1	0	long-chain fatty acid
2',4'-dihydroxychalcone	[no description available]	medium	1	0
obtusaquinone	[no description available]	medium	1	0
22,23-dihydroavermectin b(1)a	[no description available]	medium	1	0	macrocyclic lactone; spiroketal
avermectin b(1)a	[no description available]	medium	1	0	avermectin
brazilein	[no description available]	medium	1	0
Garcinolic acid	[no description available]	medium	1	0	pyranoxanthones
proflavine hemisulfate	[no description available]	medium	1	0
gambogic acid	[no description available]	medium	1	0	pyranoxanthones	metabolite
candicidin	[no description available]	medium	1	0	macrolide antibiotic; polyene antibiotic	antifungal drug; bacterial metabolite
triptohypol C	[no description available]	medium	1	0	benzenediols; monocarboxylic acid; pentacyclic triterpenoid	apoptosis inducer; plant metabolite
Dihydrotanshinone I	[no description available]	medium	1	0	abietane diterpenoid	anticoronaviral agent
gedunin	[no description available]	medium	1	0	acetate ester; enone; epoxide; furans; lactone; limonoid; organic heteropentacyclic compound; pentacyclic triterpenoid	antimalarial; antineoplastic agent; Hsp90 inhibitor; plant metabolite
erythrosine	[no description available]	medium	1	0
cedrelone	[no description available]	medium	1	0	limonoid
tanshinone ii a sodium sulfonate	[no description available]	medium	1	0
(E,E)-1-bromo-2,5-bis-(4-hydroxystyryl)benzene	[no description available]	medium	1	0	organobromine compound; polyphenol	fluorescent dye
6-o-palmitoylascorbic acid	[no description available]	medium	1	0	fatty acid ester
citrinin	[no description available]	medium	1	0
hematein	[no description available]	medium	2	0
adenosine 5'-methylenediphosphate	[no description available]	medium	2	0	nucleoside diphosphate analogue
arl-67156	[no description available]	medium	1	0
pyropheophorbide a	[no description available]	medium	1	0
4,5,6,7-tetrabromo-2-azabenzimidazole	[no description available]	medium	1	0
tocopheroxy radical	[no description available]	medium	1	0	tocopherol
emodin	[no description available]	medium	1	0	trihydroxyanthraquinone	antineoplastic agent; laxative; plant metabolite; tyrosine kinase inhibitor
hypericin	[no description available]	medium	2	0
manidipine	[no description available]	medium	1	0	diarylmethane
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
lercanidipine	[no description available]	medium	1	0	diarylmethane
dracorhodin	[no description available]	medium	1	0
buparvaquone	[no description available]	medium	1	0
bazedoxifene	[no description available]	medium	1	0	phenylindole
cinacalcet	[no description available]	medium	1	0	(trifluoromethyl)benzenes; naphthalenes; secondary amino compound	calcimimetic; P450 inhibitor
myricetin	[no description available]	medium	1	0	7-hydroxyflavonol; hexahydroxyflavone	antineoplastic agent; antioxidant; cyclooxygenase 1 inhibitor; food component; geroprotector; hypoglycemic agent; plant metabolite
schizandrin b	[no description available]	medium	1	0
lignans	[no description available]	medium	3	0
3-n-butylphthalide	[no description available]	medium	1	0	benzofurans
benzofurans	[no description available]	medium	2	0
fluorescein	[no description available]	medium	40	0	2-benzofurans; gamma-lactone; organic heteropentacyclic compound; oxaspiro compound; polyphenol; xanthene dye	fluorescent dye; radioopaque medium
hematoxylin	[no description available]	medium	4	0	organic heterotetracyclic compound; oxacycle; polyphenol; tertiary alcohol	histological dye; plant metabolite
eosine yellowish-(ys)	[no description available]	high	7	0	organic sodium salt; organobromine compound	fluorochrome; histological dye
sodium glutamate	[no description available]	medium	1	0	monosodium glutamate	flavouring agent
aminolevulinic acid	[no description available]	medium	2	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
p-methoxy-n-methylphenethylamine	[no description available]	medium	10	0	aromatic ether; secondary amino compound	metabolite
muscone	[no description available]	medium	1	0
musk	[no description available]	medium	1	0	macrolide
nafamostat	[no description available]	medium	4	0	benzoic acids; guanidines
interleukin-8	[no description available]	medium	2	0
mocetinostat	[no description available]	medium	29	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
alpha-synuclein	[no description available]	medium	1	0
corosolic acid	[no description available]	medium	1	0	triterpenoid	metabolite
nitrous oxide	[no description available]	medium	4	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
guanosine	[no description available]	medium	1	0	guanosines; purines D-ribonucleoside	fundamental metabolite
cortistatin 14	[no description available]	medium	1	0
ranitidine	[no description available]	medium	1	0	C-nitro compound; furans; organic sulfide; tertiary amino compound	anti-ulcer drug; drug allergen; environmental contaminant; H2-receptor antagonist; xenobiotic
amthamine	[no description available]	medium	1	0	thiazoles
dimaprit	[no description available]	medium	1	0	imidothiocarbamic ester
thiazoles	[no description available]	medium	10	0	1,3-thiazoles; mancude organic heteromonocyclic parent; monocyclic heteroarene
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
fluorescein-5-isothiocyanate	[no description available]	medium	25	0	fluorescein isothiocyanate
rgfp966	[no description available]	medium	1	0
luteolin	[no description available]	medium	1	0	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
eucalyptol	[no description available]	medium	1	0
malondialdehyde	[no description available]	medium	8	0	dialdehyde	biomarker
dasatinib	[no description available]	medium	1	0	1,3-thiazoles; aminopyrimidine; monocarboxylic acid amide; N-(2-hydroxyethyl)piperazine; N-arylpiperazine; organochlorine compound; secondary amino compound; tertiary amino compound	anticoronaviral agent; antineoplastic agent; tyrosine kinase inhibitor
ruscogenin	[no description available]	medium	1	0	triterpenoid
cuprizone	[no description available]	medium	1	0	organonitrogen compound; organooxygen compound
gadolinium	[no description available]	medium	13	0	f-block element atom; lanthanoid atom
gadolinium dtpa	[no description available]	medium	22	0	gadolinium coordination entity	MRI contrast agent
1,4,7-triazacyclononane-n,n',n''-triacetic acid	[no description available]	medium	6	0
angiotensin ii	[no description available]	medium	10	0	amino acid zwitterion; angiotensin II	human metabolite
lutetium	[no description available]	medium	3	0	d-block element atom; lanthanoid atom
iodoacetic acid	[no description available]	medium	1	0	haloacetic acid; organoiodine compound	alkylating agent
homocysteine	[no description available]	medium	3	0	amino acid zwitterion; homocysteine; serine family amino acid	fundamental metabolite; mouse metabolite
hydrogen sulfide	[no description available]	medium	2	0	gas molecular entity; hydracid; mononuclear parent hydride; sulfur hydride	Escherichia coli metabolite; genotoxin; metabolite; signalling molecule; toxin; vasodilator agent
sodium sulfide	[no description available]	medium	1	0
sodium bisulfide	[no description available]	medium	1	0
phenylalanine	[no description available]	medium	2	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
sar 1118	[no description available]	medium	1	0	1-benzofurans; isoquinolines; L-phenylalanine derivative; N-acyl-L-alpha-amino acid; sulfone	anti-inflammatory drug; lymphocyte function-associated antigen-1 antagonist
lumacaftor	[no description available]	medium	1	0	aromatic amide; benzodioxoles; benzoic acids; cyclopropanes; organofluorine compound; pyridines	CFTR potentiator; orphan drug
alpha-aminopyridine	[no description available]	medium	1	0
laccase	[no description available]	medium	3	0
puromycin aminonucleoside	[no description available]	medium	1	0	3'-deoxyribonucleoside; adenosines
silver	[no description available]	medium	4	0	copper group element atom; elemental silver	Escherichia coli metabolite
sodium dodecyl sulfate	[no description available]	medium	2	0	organic sodium salt	detergent; protein denaturant
methylene blue	[no description available]	medium	5	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
indocyanine green	[no description available]	medium	9	0	1,1-diunsubstituted alkanesulfonate; benzoindole; cyanine dye
sodium arsenite	[no description available]	medium	4	0	arsenic molecular entity; inorganic sodium salt	antibacterial agent; antifungal agent; antineoplastic agent; carcinogenic agent; herbicide; insecticide; rodenticide
gold	[no description available]	medium	3	0	copper group element atom; elemental gold
isoborneol	[no description available]	medium	1	0	borneol
hyaluronoglucosaminidase	[no description available]	medium	3	0
ng-nitroarginine methyl ester	[no description available]	medium	24	0	alpha-amino acid ester; L-arginine derivative; methyl ester; N-nitro compound	EC 1.14.13.39 (nitric oxide synthase) inhibitor
dorsomorphin	[no description available]	medium	1	0	aromatic ether; piperidines; pyrazolopyrimidine; pyridines	bone morphogenetic protein receptor antagonist; EC 2.7.11.31 {[hydroxymethylglutaryl-CoA reductase (NADPH)] kinase} inhibitor
domperidone	[no description available]	medium	1	0	benzimidazoles; heteroarylpiperidine	antiemetic; dopaminergic antagonist
alanine	[no description available]	medium	1	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
yttrium radioisotopes	[no description available]	medium	3	0
psma-617	[no description available]	medium	1	0
rhodamine b	[no description available]	medium	2	0	organic chloride salt; xanthene dye	fluorescent probe; fluorochrome; histological dye
bromphenol blue	[no description available]	medium	2	0	2,1-benzoxathiole; arenesulfonate ester; organobromine compound; phenols; sultone	acid-base indicator; dye; two-colour indicator
titan yellow	[no description available]	medium	1	0
exenatide	[no description available]	medium	3	0
sulfur hexafluoride	[no description available]	medium	2	0	sulfur coordination entity	greenhouse gas; NMR chemical shift reference compound; ultrasound contrast agent
sodium iodide	[no description available]	medium	1	0	inorganic sodium salt; iodide salt
bradykinin	[no description available]	medium	53	0	oligopeptide	human blood serum metabolite; vasodilator agent
icatibant	[no description available]	medium	11	0
ovalbumin	[no description available]	medium	33	0
erythrosine	[no description available]	medium	25	0
lead	[no description available]	medium	3	0	carbon group element atom; elemental lead; metal atom	neurotoxin
pituitrin	[no description available]	medium	1	0
piperidines	[no description available]	medium	21	0
donepezil	[no description available]	medium	1	0	aromatic ether; indanones; piperidines; racemate	EC 3.1.1.7 (acetylcholinesterase) inhibitor; EC 3.1.1.8 (cholinesterase) inhibitor; nootropic agent
3-nitrotyrosine	[no description available]	medium	5	0	2-nitrophenols; C-nitro compound; nitrotyrosine; non-proteinogenic alpha-amino acid
tyrosine	[no description available]	medium	6	0	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
glucoraphanin	[no description available]	medium	1	0	sulfoxide; thia-alkylglucosinolic acid
aminoimidazole carboxamide	[no description available]	medium	1	0	aminoimidazole; monocarboxylic acid amide	mouse metabolite
ml 7	[no description available]	medium	2	0	N-sulfonyldiazepane; organoiodine compound	EC 2.7.11.18 (myosin-light-chain kinase) inhibitor
violuric acid	[no description available]	medium	1	0
methyl orange	[no description available]	medium	1	0
lignin	[no description available]	medium	2	0
thiazolyl blue	[no description available]	medium	4	0	organic bromide salt	colorimetric reagent; dye
antipyrine	[no description available]	medium	6	0	pyrazolone	antipyretic; cyclooxygenase 3 inhibitor; environmental contaminant; non-narcotic analgesic; non-steroidal anti-inflammatory drug; xenobiotic
edaravone	[no description available]	medium	2	0	pyrazolone	antioxidant; radical scavenger
1-hexadecyl-2-acetyl-glycero-3-phosphocholine	[no description available]	medium	36	0	2-acetyl-1-alkyl-sn-glycero-3-phosphocholine	antihypertensive agent; beta-adrenergic antagonist; bronchoconstrictor agent; hematologic agent; vasodilator agent
substance p	[no description available]	medium	74	0	peptide	neurokinin-1 receptor agonist; neurotransmitter; vasodilator agent
7,7-diphenyl-2-(1-imino-2-(2-methoxyphenyl)ethyl)perhydroisoindol-4-one	[no description available]	medium	7	0
okadaic acid	[no description available]	medium	1	0	ketal
c.i. 42510	[no description available]	medium	7	0
Brilliant Blue	[no description available]	medium	1	0	organic molecular entity
trypan blue	[no description available]	medium	25	0
sulfan blue	[no description available]	medium	3	0	organic molecular entity
dehydroxymethylepoxyquinomicin	[no description available]	medium	1	0
tiletamine hydrochloride	[no description available]	medium	1	0
elastin	[no description available]	medium	3	0	oligopeptide
allyl isothiocyanate	[no description available]	medium	2	0	alkenyl isothiocyanate; isothiocyanate	antimicrobial agent; antineoplastic agent; apoptosis inducer; lachrymator; metabolite
hc 030031	[no description available]	medium	1	0
hydroxyl radical	[no description available]	medium	5	0	oxygen hydride; oxygen radical; reactive oxygen species
cellulose	[no description available]	medium	2	0	glycoside
zinc protoporphyrin ix	[no description available]	medium	2	1
triphenyltetrazolium	[no description available]	medium	10	0	organic cation
zinc oxide	[no description available]	medium	2	0	zinc molecular entity
endothelin-1	[no description available]	medium	7	0
fluorides	[no description available]	medium	1	0	halide anion; monoatomic fluorine
aluminum fluoride	[no description available]	medium	1	0	aluminium coordination entity
n-isopropylacrylamide	[no description available]	medium	1	0
catechol	[no description available]	medium	1	0	catechols	allelochemical; genotoxin; plant metabolite
ag 3-5	[no description available]	medium	1	0	C-nitro compound
capsazepine	[no description available]	medium	3	0	benzazepine; catechols; monochlorobenzenes; thioureas	capsaicin receptor antagonist
pyrimidinones	[no description available]	medium	1	0
sr 48968	[no description available]	medium	9	0
3,5-bis(trifluoromethyl)benzyl n-acetyltryptophan	[no description available]	medium	2	0
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
benzamil	[no description available]	medium	1	0	guanidines; pyrazines
sinomenine	[no description available]	medium	1	0	morphinane alkaloid
morphinans	[no description available]	medium	1	0	isoquinoline alkaloid fundamental parent; morphinane alkaloid
maleimide	[no description available]	medium	1	0	dicarboximide; maleimides	EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor
aluminum	[no description available]	medium	7	0	boron group element atom; elemental aluminium; metal atom
pectins	[no description available]	medium	1	0	D-galactopyranuronic acid
malic acid	[no description available]	medium	1	0	2-hydroxydicarboxylic acid; C4-dicarboxylic acid	food acidity regulator; fundamental metabolite
1,3-dihydroxy-4,4,5,5-tetramethyl-2-(4-carboxyphenyl)tetrahydroimidazole	[no description available]	medium	1	0	benzoic acid; imidazolines; organic radical	apoptosis inhibitor; radical scavenger
jhw 015	[no description available]	medium	1	0	indolecarboxamide
direct red 81	[no description available]	medium	1	0
sodium iodate	[no description available]	medium	2	0	organic molecular entity
phytochlorin	[no description available]	medium	1	0
methane	[no description available]	medium	2	0	alkane; gas molecular entity; mononuclear parent hydride; one-carbon compound	bacterial metabolite; fossil fuel; greenhouse gas
n-(2-hydroxypropyl)methacrylamide	[no description available]	medium	1	0
thiourea	[no description available]	medium	4	0	one-carbon compound; thioureas; ureas	antioxidant; chromophore
salubrinal	[no description available]	medium	1	0	aminal; organochlorine compound; quinolines; secondary carboxamide; thioureas
transforming growth factor beta	[no description available]	medium	3	0
arginyl-glycyl-aspartic acid	[no description available]	medium	2	0	oligopeptide
1,4,7,10-tetraazacyclododecane- 1,4,7,10-tetraacetic acid	[no description available]	medium	1	0	azamacrocycle	chelator; copper chelator
hydrochloric acid	[no description available]	medium	7	0	chlorine molecular entity; gas molecular entity; hydrogen halide; mononuclear parent hydride	mouse metabolite
ether	[no description available]	medium	1	0	ether; volatile organic compound	inhalation anaesthetic; non-polar solvent; refrigerant
bq 123	[no description available]	medium	4	0	cyclic peptide
muscimol	[no description available]	medium	1	0	alkaloid; isoxazoles; primary amino compound	fungal metabolite; GABA agonist; oneirogen; psychotropic drug
natriuretic peptide, c-type	[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	2	0	guanosines	biomarker
zn(ii)-phthalocyanine	[no description available]	medium	1	0	metallophthalocyanine; zinc tetrapyrrole	fluorochrome
bisbenzimidazole	[no description available]	medium	3	0	bibenzimidazole; N-methylpiperazine	anthelminthic drug; fluorochrome
lanthanide nitrate	[no description available]	medium	3	0
lanthanum	[no description available]	medium	10	0	f-block element atom; lanthanoid atom; scandium group element atom
propidium	[no description available]	medium	4	0	phenanthridines; quaternary ammonium ion	fluorochrome; intercalator
hoe 33342	[no description available]	medium	1	0
n-methyl-3,4-methylenedioxyamphetamine	[no description available]	medium	1	0	amphetamines; benzodioxoles	neurotoxin
coomassie brilliant blue	[no description available]	medium	1	0
technetium	[no description available]	medium	10	0	manganese group element atom
losartan potassium	[no description available]	medium	6	0
dizocilpine maleate	[no description available]	medium	7	0	maleate salt; tetracyclic antidepressant	anaesthetic; anticonvulsant; neuroprotective agent; nicotinic antagonist; NMDA receptor antagonist
nitrites	[no description available]	medium	7	0	monovalent inorganic anion; nitrogen oxoanion; reactive nitrogen species	human metabolite
nitrates	[no description available]	medium	5	0	monovalent inorganic anion; nitrogen oxoanion; reactive nitrogen species
iopamidol	[no description available]	medium	2	0	benzenedicarboxamide; organoiodine compound; pentol	environmental contaminant; radioopaque medium; xenobiotic
cilostazol	[no description available]	medium	1	0	lactam; tetrazoles	anticoagulant; bronchodilator agent; EC 3.1.4.17 (3',5'-cyclic-nucleotide phosphodiesterase) inhibitor; fibrin modulating drug; neuroprotective agent; platelet aggregation inhibitor; vasodilator agent
diethyl maleate	[no description available]	medium	1	0	ethyl ester; maleate ester	glutathione depleting agent
rhodamine 123	[no description available]	medium	3	0	organic cation; xanthene dye	fluorochrome
sew2871	[no description available]	medium	1	0	oxadiazole; ring assembly
oxadiazoles	[no description available]	medium	2	0
thiophenes	[no description available]	medium	2	0	mancude organic heteromonocyclic parent; monocyclic heteroarene; thiophenes; volatile organic compound	non-polar solvent
3,3'-diaminobenzidine	[no description available]	medium	1	0	biphenyls; substituted aniline	histological dye
uranyl acetate	[no description available]	medium	1	0
c.i. fluorescent brightening agent 28	[no description available]	medium	3	0
deuterium oxide	[no description available]	medium	4	0	deuterated compound; water	NMR solvent
morpholinopropane sulfonic acid	[no description available]	medium	1	0	MOPS; morpholines; organosulfonic acid
stilbenes	[no description available]	medium	2	0	stilbene
mulberroside a	[no description available]	medium	1	0	glycoside; stilbenoid
leukotriene b5	[no description available]	medium	1	0	dihydroxy monocarboxylic acid; hydroxy polyunsaturated fatty acid; leukotriene; long-chain fatty acid	anti-inflammatory agent; human xenobiotic metabolite; rat metabolite
leukotriene b4	[no description available]	medium	4	0	dihydroxy monocarboxylic acid; hydroxy polyunsaturated fatty acid; leukotriene; long-chain fatty acid	human metabolite; mouse metabolite; plant metabolite; vasoconstrictor agent
prostaglandin e3	[no description available]	medium	1	0	prostaglandins E	human metabolite
gs 4071	[no description available]	medium	1	0	acetate ester; amino acid; cyclohexenecarboxylic acid; primary amino compound	antiviral drug; EC 3.2.1.18 (exo-alpha-sialidase) inhibitor; marine xenobiotic metabolite
oseltamivir	[no description available]	medium	1	0	acetamides; amino acid ester; cyclohexenecarboxylate ester; primary amino compound	antiviral drug; EC 3.2.1.18 (exo-alpha-sialidase) inhibitor; environmental contaminant; prodrug; xenobiotic
thioctic acid	[no description available]	medium	1	0	dithiolanes; heterocyclic fatty acid; thia fatty acid	fundamental metabolite; geroprotector
glucose, (beta-d)-isomer	[no description available]	medium	5	0	D-glucopyranose	epitope; mouse metabolite
urethane	[no description available]	medium	2	0	carbamate ester	fungal metabolite; mutagen
manganese	[no description available]	medium	2	0	elemental manganese; manganese group element atom	Escherichia coli metabolite; micronutrient
carboplatin	[no description available]	medium	1	0
2,5-hexanedione	[no description available]	medium	1	0	diketone; methyl ketone	human xenobiotic metabolite; neurotoxin
2-methylpentane	[no description available]	medium	1	0	alkane
n-hexane	[no description available]	medium	1	0	alkane; volatile organic compound	neurotoxin; non-polar solvent
heptanol	[no description available]	medium	1	0	heptanol; primary alcohol	flavouring agent; fragrance; gap junctional intercellular communication inhibitor; plant metabolite
galantamine	[no description available]	medium	1	1	benzazepine alkaloid fundamental parent; benzazepine alkaloid; organic heterotetracyclic compound; tertiary amino compound	antidote to curare poisoning; cholinergic drug; EC 3.1.1.7 (acetylcholinesterase) inhibitor; EC 3.1.1.8 (cholinesterase) inhibitor; plant metabolite
silicon	[no description available]	medium	1	1	carbon group element atom; metalloid atom; nonmetal atom
sr 144528	[no description available]	medium	1	0	bridged compound; monochlorobenzenes; pyrazoles; secondary carboxamide	CB2 receptor antagonist; EC 2.3.1.26 (sterol O-acyltransferase) inhibitor
fk 888	[no description available]	medium	7	0	peptide
d.c. red no. 9	[no description available]	medium	2	0
cyanides	[no description available]	medium	1	0	pseudohalide anion	EC 1.9.3.1 (cytochrome c oxidase) inhibitor
pyrazines	[no description available]	medium	1	0	diazine; pyrazines	Daphnia magna metabolite
ag 1879	[no description available]	medium	1	0	aromatic amine; monochlorobenzenes; pyrazolopyrimidine	beta-adrenergic antagonist; EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor; geroprotector
bromodeoxyuridine	[no description available]	medium	2	0	pyrimidine 2'-deoxyribonucleoside	antimetabolite; antineoplastic agent
bafilomycin a1	[no description available]	medium	1	0	cyclic hemiketal; macrolide antibiotic; oxanes	apoptosis inducer; autophagy inhibitor; bacterial metabolite; EC 3.6.3.10 (H(+)/K(+)-exchanging ATPase) inhibitor; EC 3.6.3.14 (H(+)-transporting two-sector ATPase) inhibitor; ferroptosis inhibitor; fungicide; potassium ionophore; toxin
carbonyl cyanide m-chlorophenyl hydrazone	[no description available]	medium	1	0	hydrazone; monochlorobenzenes; nitrile	antibacterial agent; geroprotector; ionophore
4,4'-diisothiocyanostilbene-2,2'-disulfonic acid	[no description available]	medium	2	0
forsythoside b	[no description available]	medium	1	0
glycosides	[no description available]	medium	1	0
daptomycin	[no description available]	medium	1	0
tanshinone	[no description available]	medium	1	0	abietane diterpenoid	anticoronaviral agent
phenanthrenes	[no description available]	medium	1	0
papaverine	[no description available]	medium	4	0	benzylisoquinoline alkaloid; dimethoxybenzene; isoquinolines	antispasmodic drug; vasodilator agent
sabiporide	[no description available]	medium	1	0
carbon monoxide	[no description available]	medium	7	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
acetylcarnitine	[no description available]	medium	1	0	O-acylcarnitine	human metabolite
transferrin	[no description available]	medium	2	0
1,1-diphenyl-2-picrylhydrazyl	[no description available]	medium	1	0
minoxidil sulfate ester	[no description available]	medium	1	0
dapi	[no description available]	medium	5	0	indoles	fluorochrome
g(m3) ganglioside	[no description available]	medium	1	0	alpha-N-acetylneuraminyl-(2->3)-beta-D-galactosyl-(1->4)-beta-D-glucosyl-(1<->1')-ceramide; sialodiosylceramide; sialotriaosylceramide	mouse metabolite
1-(5-isoquinolinesulfonyl)-2-methylpiperazine	[no description available]	medium	1	0	isoquinolines; N-sulfonylpiperazine	EC 2.7.11.13 (protein kinase C) inhibitor
cyclosporine	[no description available]	medium	3	0
y 27632	[no description available]	medium	1	0	aromatic amide
arsenic	[no description available]	medium	3	0	metalloid atom; pnictogen	micronutrient
kaolinite	[no description available]	medium	4	0	aluminosilicate mineral; mixture	antidiarrhoeal drug; excipient
croton oil	[no description available]	medium	1	0	N-acyl-hexosamine
perfluorobutane	[no description available]	medium	1	0	fluoroalkane; fluorocarbon; gas molecular entity	ultrasound contrast agent
muramidase	[no description available]	medium	2	0
orabase	[no description available]	medium	1	0
chitosan	[no description available]	medium	2	0
n-(n-(3,5-difluorophenacetyl)alanyl)phenylglycine tert-butyl ester	[no description available]	medium	1	0	carboxylic ester; difluorobenzene; dipeptide; tert-butyl ester	EC 3.4.23.46 (memapsin 2) inhibitor
pyrilamine	[no description available]	medium	8	0	aromatic ether; ethylenediamine derivative	H1-receptor antagonist
ferulic acid	[no description available]	medium	1	0	ferulic acids	anti-inflammatory agent; antioxidant; apoptosis inhibitor; cardioprotective agent; MALDI matrix material; plant metabolite
sodium bromide	[no description available]	medium	1	0	bromide salt; inorganic sodium salt
bromide	[no description available]	medium	2	0	halide anion; monoatomic bromine
docetaxel anhydrous	[no description available]	medium	1	0	secondary alpha-hydroxy ketone; tetracyclic diterpenoid	antimalarial; antineoplastic agent; photosensitizing agent
sb 203580	[no description available]	medium	1	0	imidazoles; monofluorobenzenes; pyridines; sulfoxide	EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor; EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor; geroprotector; Hsp90 inhibitor; neuroprotective agent
jatrorrhizine	[no description available]	medium	1	0	alkaloid
berberine	[no description available]	medium	1	0	alkaloid antibiotic; berberine alkaloid; botanical anti-fungal agent; organic heteropentacyclic compound	antilipemic drug; antineoplastic agent; antioxidant; EC 1.1.1.141 [15-hydroxyprostaglandin dehydrogenase (NAD(+))] inhibitor; EC 1.1.1.21 (aldehyde reductase) inhibitor; EC 1.13.11.52 (indoleamine 2,3-dioxygenase) inhibitor; EC 1.21.3.3 (reticuline oxidase) inhibitor; EC 2.1.1.116 [3'-hydroxy-N-methyl-(S)-coclaurine 4'-O-methyltransferase] inhibitor; EC 2.1.1.122 [(S)-tetrahydroprotoberberine N-methyltransferase] inhibitor; EC 2.7.11.10 (IkappaB kinase) inhibitor; EC 3.1.1.4 (phospholipase A2) inhibitor; EC 3.1.1.7 (acetylcholinesterase) inhibitor; EC 3.1.1.8 (cholinesterase) inhibitor; EC 3.1.3.48 (protein-tyrosine-phosphatase) inhibitor; EC 3.4.14.5 (dipeptidyl-peptidase IV) inhibitor; EC 3.4.21.26 (prolyl oligopeptidase) inhibitor; geroprotector; hypoglycemic agent; metabolite; potassium channel blocker
piboserod	[no description available]	medium	1	0
cholic acid	[no description available]	medium	1	0	12alpha-hydroxy steroid; 3alpha-hydroxy steroid; 7alpha-hydroxy steroid; bile acid; C24-steroid; trihydroxy-5beta-cholanic acid	human metabolite; mouse metabolite
bicuculline	[no description available]	medium	10	0	benzylisoquinoline alkaloid; isoquinoline alkaloid; isoquinolines	agrochemical; central nervous system stimulant; GABA-gated chloride channel antagonist; GABAA receptor antagonist; neurotoxin
sildenafil citrate	[no description available]	medium	3	0	citrate salt	EC 3.1.4.35 (3',5'-cyclic-GMP phosphodiesterase) inhibitor; vasodilator agent
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
alpha-cyano-4-hydroxycinnamate	[no description available]	medium	1	0
sphingosine kinase	[no description available]	medium	1	0
cromolyn sodium	[no description available]	medium	7	0	organic sodium salt	anti-asthmatic drug; drug allergen
glyceraldehyde 3-phosphate	[no description available]	medium	1	0	glyceraldehyde 3-phosphate	mouse metabolite
thioacetamide	[no description available]	medium	1	0	thiocarboxamide	hepatotoxic agent
peroxynitrous acid	[no description available]	medium	4	0	nitrogen oxoacid
s-nitrosoglutathione	[no description available]	medium	1	0	glutathione derivative; nitrosothio compound	bronchodilator agent; nitric oxide donor; platelet aggregation inhibitor; signalling molecule
heme	[no description available]	medium	2	0
1,2-dihydroxybenzene-3,5-disulfonic acid disodium salt	[no description available]	medium	1	0	organic molecular entity
lipoteichoic acid	[no description available]	medium	1	0
zinc chloride	[no description available]	medium	3	0	inorganic chloride; zinc molecular entity	astringent; disinfectant; EC 5.3.3.5 (cholestenol Delta-isomerase) inhibitor; Lewis acid
pentylenetetrazole	[no description available]	medium	8	0	organic heterobicyclic compound; organonitrogen heterocyclic compound
chlorine	[no description available]	medium	6	0	halide anion; monoatomic chlorine	cofactor; Escherichia coli metabolite; human metabolite
concanavalin a	[no description available]	medium	4	0
ecallantide	[no description available]	medium	1	0
rhodioloside	[no description available]	medium	1	0	glycoside
fenclonine	[no description available]	medium	2	0	phenylalanine derivative
ro 46-8443	[no description available]	medium	1	0
atrasentan	[no description available]	medium	1	0	pyrrolidines
a 192621	[no description available]	medium	1	0
phosphoramidon	[no description available]	medium	14	0	deoxyaldohexose phosphate; dipeptide	bacterial metabolite; EC 3.4.24.11 (neprilysin) inhibitor; EC 3.4.24.71 (endothelin-converting enzyme 1) inhibitor
quercetin	[no description available]	medium	1	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
omega-n-methylarginine	[no description available]	medium	6	0	amino acid zwitterion; arginine derivative; guanidines; L-arginine derivative; non-proteinogenic L-alpha-amino acid
dynorphins	[no description available]	medium	1	0
cytochalasin d	[no description available]	medium	1	0
latrunculin b	[no description available]	medium	1	0	cyclic hemiketal; macrolide; oxabicycloalkane; thiazolidinone	actin polymerisation inhibitor; metabolite; toxin
thiazolidines	[no description available]	medium	1	0	thiazolidine
dehydroepiandrosterone sulfate	[no description available]	medium	1	0	17-oxo steroid; steroid sulfate	EC 2.7.1.33 (pantothenate kinase) inhibitor; human metabolite; mouse metabolite
dichlorodiphenyl dichloroethylene	[no description available]	medium	1	0	chlorophenylethylene; monochlorobenzenes	human xenobiotic metabolite; persistent organic pollutant
atrinositol	[no description available]	medium	4	0
phosphoenolpyruvate	[no description available]	medium	1	0	carboxyalkyl phosphate; monocarboxylic acid	fundamental metabolite
troxerutin	[no description available]	medium	2	0
rutin	[no description available]	medium	2	0	disaccharide derivative; quercetin O-glucoside; rutinoside; tetrahydroxyflavone	antioxidant; metabolite
ethamsylate	[no description available]	medium	1	0	organosulfur compound; sulfonic acid derivative
n-methylaspartate	[no description available]	medium	2	0	amino dicarboxylic acid; D-alpha-amino acid; D-aspartic acid derivative; secondary amino compound	neurotransmitter agent
phenylalanyl-prolyl-arginine-chloromethyl ketone	[no description available]	medium	1	0
indazoles	[no description available]	medium	5	0	indazole
rwj-56110	[no description available]	medium	1	0
tryptamine	[no description available]	medium	1	0	aminoalkylindole; aralkylamino compound; indole alkaloid; tryptamines	human metabolite; mouse metabolite; plant metabolite
u 78517f	[no description available]	medium	1	0
ioxaglate	[no description available]	medium	1	0	benzenedicarboxamide; benzoic acids; organoiodine compound	radioopaque medium
gabexate	[no description available]	medium	2	0	benzoate ester
diacetyl	[no description available]	medium	2	0	alpha-diketone	Escherichia coli metabolite; Saccharomyces cerevisiae metabolite
diacetylmonoxime	[no description available]	medium	2	0
n-vinyl-2-pyrrolidinone	[no description available]	medium	2	0	pyrrolidin-2-ones
phosphorus	[no description available]	medium	3	0	monoatomic phosphorus; nonmetal atom; pnictogen	macronutrient
chromium	[no description available]	medium	2	1	chromium group element atom; metal allergen	micronutrient
magnesium sulfate	[no description available]	medium	4	0	magnesium salt; metal sulfate; organic magnesium salt	anaesthetic; analgesic; anti-arrhythmia drug; anticonvulsant; calcium channel blocker; cardiovascular drug; fertilizer; tocolytic agent
hydrazine	[no description available]	medium	1	0	azane; hydrazines	EC 4.3.1.10 (serine-sulfate ammonia-lyase) inhibitor
ethionine	[no description available]	medium	2	0	S-ethylhomocysteine	antimetabolite; carcinogenic agent
benzidine	[no description available]	medium	1	0	biphenyls; substituted aniline	carcinogenic agent
p-aminohippuric acid	[no description available]	medium	4	0	N-acylglycine	Daphnia magna metabolite
ammonium hydroxide	[no description available]	medium	2	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
propylene oxide	[no description available]	medium	1	0	epoxide
2'-5'-oligoadenylate trimer	[no description available]	medium	1	0
iodine	[no description available]	medium	2	0	diatomic iodine	nutrient
ro13-9904	[no description available]	medium	2	0
atrial natriuretic factor	[no description available]	medium	2	0	polypeptide
4-(1h-imidazol-4-ylmethyl)piperidine	[no description available]	medium	1	0	piperidines
isothiuronium	[no description available]	medium	1	0
l 733060	[no description available]	medium	1	0	piperidines
triptorelin	[no description available]	medium	1	0	organoiodine compound
clobenpropit	[no description available]	medium	1	0	imidazoles; imidothiocarbamic ester; organochlorine compound	H3-receptor antagonist; H4-receptor agonist
cysteine	[no description available]	medium	3	0	cysteinium	fundamental metabolite
zeneca zd 6169	[no description available]	medium	1	0
prostaglandin d2	[no description available]	medium	4	0	prostaglandins D	human metabolite; mouse metabolite
phosphorus radioisotopes	[no description available]	medium	2	0
cortisone	[no description available]	medium	1	0	11-oxo steroid; 17alpha-hydroxy steroid; 20-oxo steroid; 21-hydroxy steroid; 3-oxo-Delta(4) steroid; C21-steroid; glucocorticoid; primary alpha-hydroxy ketone; tertiary alpha-hydroxy ketone	human metabolite; mouse metabolite
perflutren	[no description available]	medium	6	0	fluoroalkane; fluorocarbon
perflexane	[no description available]	medium	1	0	fluoroalkane; fluorocarbon; volatile organic compound	non-polar solvent; radioopaque medium
1,2-distearoylphosphatidylethanolamine	[no description available]	medium	1	0	phosphatidylethanolamine zwitterion; phosphatidylethanolamine	human metabolite
rmp 7	[no description available]	medium	2	0
leuprolide	[no description available]	medium	3	0	oligopeptide	anti-estrogen; antineoplastic agent; gonadotropin releasing hormone agonist
adenosine 5'-o-(3-thiotriphosphate)	[no description available]	medium	1	0	nucleoside triphosphate analogue
potassium chloride	[no description available]	medium	5	0	inorganic chloride; inorganic potassium salt; potassium salt	fertilizer
3-(2-carboxypiperazin-4-yl)propyl-1-phosphonic acid	[no description available]	medium	2	0
uridine triphosphate	[no description available]	medium	2	0	pyrimidine ribonucleoside 5'-triphosphate; uridine 5'-phosphate	Escherichia coli metabolite; mouse metabolite
alpha,beta-methyleneadenosine 5'-triphosphate	[no description available]	medium	5	0	nucleoside triphosphate analogue
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
sea 0400	[no description available]	medium	1	0
glycogen	[no description available]	medium	2	0
mecamylamine	[no description available]	medium	1	0	primary aliphatic amine
s6c sarafotoxin	[no description available]	medium	2	0
2-amino-5-phosphonovalerate	[no description available]	medium	2	0	non-proteinogenic alpha-amino acid	NMDA receptor antagonist
6-cyano-7-nitroquinoxaline-2,3-dione	[no description available]	medium	3	0	quinoxaline derivative
deoxycholic acid	[no description available]	medium	1	0	bile acid; C24-steroid; dihydroxy-5beta-cholanic acid	human blood serum metabolite
gamma-aminobutyric acid	[no description available]	medium	4	0	amino acid zwitterion; gamma-amino acid; monocarboxylic acid	human metabolite; neurotransmitter; Saccharomyces cerevisiae metabolite; signalling molecule
n-(2-cyclohexyloxy-4-nitrophenyl)methanesulfonamide	[no description available]	medium	2	0	aromatic ether; C-nitro compound; sulfonamide	antineoplastic agent; cyclooxygenase 2 inhibitor
flavone	[no description available]	medium	1	0	flavones	metabolite; nematicide
procaine	[no description available]	medium	3	0	benzoate ester; substituted aniline; tertiary amino compound	central nervous system depressant; drug allergen; local anaesthetic; peripheral nervous system drug
h 409-22	[no description available]	medium	1	0
gadolinium 1,4,7,10-tetraazacyclododecane-n,n',n'',n'''-tetraacetate	[no description available]	medium	1	0
procaterol	[no description available]	medium	3	0	quinolines
succinamide	[no description available]	medium	1	0
ceruletide	[no description available]	medium	5	0	oligopeptide	diagnostic agent; gastrointestinal drug
nad	[no description available]	medium	2	0	organophosphate oxoanion	cofactor; human metabolite; hydrogen acceptor; Saccharomyces cerevisiae metabolite
nadp	[no description available]	medium	2	0
n-methylscopolamine	[no description available]	medium	1	0
2,4-thiazolidinedione	[no description available]	medium	1	0	thiazolidenedione
sc 560	[no description available]	medium	1	0	aromatic ether; monochlorobenzenes; organofluorine compound; pyrazoles	angiogenesis modulating agent; antineoplastic agent; apoptosis inducer; cyclooxygenase 1 inhibitor; non-steroidal anti-inflammatory drug
edetic acid	[no description available]	medium	5	0	ethylenediamine derivative; polyamino carboxylic acid; tetracarboxylic acid	anticoagulant; antidote; chelator; copper chelator; geroprotector
egtazic acid	[no description available]	medium	3	0	diether; tertiary amino compound; tetracarboxylic acid	chelator
glucuronic acid	[no description available]	medium	1	0	D-glucuronic acid	algal metabolite
perylene	[no description available]	medium	1	0	ortho- and peri-fused polycyclic arene; perylenes
neostigmine	[no description available]	medium	1	0	quaternary ammonium ion	antidote to curare poisoning; EC 3.1.1.7 (acetylcholinesterase) inhibitor
phosphatidylcholines	[no description available]	medium	2	0	1,2-diacyl-sn-glycero-3-phosphocholine
angiotensin i	[no description available]	medium	1	0	angiotensin; peptide zwitterion	human metabolite; neurotransmitter agent
sodium pertechnetate tc 99m	[no description available]	medium	5	0
neurotensin	[no description available]	medium	1	0	peptide hormone	human metabolite; mitogen; neurotransmitter; vulnerary
sr 48692	[no description available]	medium	1	0	N-acyl-amino acid
fibrinogen	[no description available]	medium	3	0	iditol	fungal metabolite
aloxistatin	[no description available]	medium	1	0	epoxide; ethyl ester; L-leucine derivative; monocarboxylic acid amide	anticoronaviral agent; cathepsin B inhibitor
calpain	[no description available]	medium	2	0
sphingosine	[no description available]	medium	1	0	sphing-4-enine	human metabolite; mouse metabolite
sphingosine 1-phosphate	[no description available]	medium	1	0	sphingoid 1-phosphate	mouse metabolite; signalling molecule; sphingosine-1-phosphate receptor agonist; T-cell proliferation inhibitor; vasodilator agent
organophosphonates	[no description available]	medium	1	0	divalent inorganic anion; phosphite ion
3-amino-4-(3-hexylphenylamino)-4-oxobutylphosphonic acid	[no description available]	medium	1	0
melatonin	[no description available]	medium	1	0	acetamides; tryptamines	anticonvulsant; central nervous system depressant; geroprotector; hormone; human metabolite; immunological adjuvant; mouse metabolite; radical scavenger
oxatomide	[no description available]	medium	1	0	benzimidazoles; diarylmethane; N-alkylpiperazine	anti-allergic agent; anti-inflammatory agent; geroprotector; H1-receptor antagonist; serotonergic antagonist
D-fructopyranose	[no description available]	medium	2	0	cyclic hemiketal; D-fructose; fructopyranose	sweetening agent
toluene	[no description available]	medium	1	0	methylbenzene; toluenes; volatile organic compound	cholinergic antagonist; fuel additive; neurotoxin; non-polar solvent
phenyl acetate	[no description available]	medium	2	0	benzenes; phenyl acetates
epoetin alfa	[no description available]	medium	1	0
2,2'-azino-di-(3-ethylbenzothiazoline)-6-sulfonic acid	[no description available]	medium	1	0
indigo carmine	[no description available]	medium	3	0
vadimezan	[no description available]	medium	1	0	monocarboxylic acid; xanthones	antineoplastic agent
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
acebutolol	[no description available]	medium	1	0	alpha-D-glucosyl-(1->4)-D-mannopyranose
ro 31-7549	[no description available]	medium	1	0
go 6976	[no description available]	medium	1	0	indolocarbazole; organic heterohexacyclic compound	EC 2.7.11.13 (protein kinase C) inhibitor
kainic acid	[no description available]	medium	7	0	dicarboxylic acid; L-proline derivative; non-proteinogenic L-alpha-amino acid; pyrrolidinecarboxylic acid	antinematodal drug; excitatory amino acid agonist
pyrophosphate	[no description available]	medium	1	0	diphosphate ion
dimethylhydrazines	[no description available]	medium	1	0
oxi 4503	[no description available]	medium	1	0
am 404	[no description available]	medium	1	0	anilide
mechlorethamine	[no description available]	medium	2	0	nitrogen mustard; organochlorine compound	alkylating agent
1,3-dimethylthiourea	[no description available]	medium	1	0
sybr green i	[no description available]	medium	1	0	benzothiazolium ion; cyanine dye; quinolines; tertiary amine	fluorescent dye
bradykinin, des-arg(9)-	[no description available]	medium	1	0	oligopeptide	bradykinin receptor B2 agonist
cadmium	[no description available]	medium	1	0	cadmium molecular entity; zinc group element atom
pyridoxal phosphate-6-azophenyl-2',4'-disulfonic acid	[no description available]	medium	2	0	arenesulfonic acid; azobenzenes; methylpyridines; monohydroxypyridine; organic phosphate; pyridinecarbaldehyde	purinergic receptor P2X antagonist
apyrase	[no description available]	medium	2	0
thioperamide	[no description available]	medium	1	0	primary aliphatic amine
histidine	[no description available]	medium	2	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
olopatadine hydrochloride	[no description available]	medium	1	0	dibenzooxazepine
azelastine	[no description available]	medium	3	0	monochlorobenzenes; phthalazines; tertiary amino compound	anti-allergic agent; anti-asthmatic drug; bronchodilator agent; EC 1.13.11.34 (arachidonate 5-lipoxygenase) inhibitor; H1-receptor antagonist; platelet aggregation inhibitor
isospaglumic acid	[no description available]	medium	1	0	dipeptide	human metabolite
emedastine	[no description available]	medium	1	0	benzimidazoles	anti-allergic agent; antipruritic drug; H1-receptor antagonist
uric acid	[no description available]	medium	1	0	uric acid	Escherichia coli metabolite; human metabolite; mouse metabolite
pinocembrin	[no description available]	medium	1	0	(2S)-flavan-4-one; dihydroxyflavanone	antineoplastic agent; antioxidant; metabolite; neuroprotective agent; vasodilator agent
hydrogen carbonate	[no description available]	medium	2	0	carbon oxoanion	cofactor; Escherichia coli metabolite; human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite
iothalamate meglumine	[no description available]	medium	6	0	amidobenzoic acid
metrizamide	[no description available]	medium	1	0	amino sugar
histamine phosphate	[no description available]	medium	2	0	phosphate salt	histamine agonist
glyoxylic acid	[no description available]	medium	1	0	2-oxo monocarboxylic acid; aldehydic acid	Escherichia coli metabolite; human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite
substance p, arg(1)-pro(2)-trp(7),(9)-leunh(2)(11)-	[no description available]	medium	2	0
nuclear yellow	[no description available]	medium	4	0
diatrizoate meglumine	[no description available]	medium	2	0	monocarboxylic acid anion	radioopaque medium
diatrizoic acid	[no description available]	medium	2	0	acetamides; benzoic acids; organoiodine compound	environmental contaminant; radioopaque medium; xenobiotic
mercuric chloride	[no description available]	medium	2	0	mercury coordination entity	sensitiser
mercury	[no description available]	medium	2	0	elemental mercury; zinc group element atom	neurotoxin
phenolsulfonphthalein	[no description available]	medium	3	0	2,1-benzoxathiole; arenesulfonate ester; phenols; sultone	acid-base indicator; diagnostic agent; two-colour indicator
rubidium	[no description available]	medium	1	0	alkali metal atom
ammonium chloride	[no description available]	medium	1	0	ammonium salt; inorganic chloride	ferroptosis inhibitor
methysergide	[no description available]	medium	6	0	ergoline alkaloid
tetradecanoylphorbol acetate	[no description available]	medium	3	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
phorbols	[no description available]	medium	1	0	diterpene; terpenoid fundamental parent
sodium thiocyanate	[no description available]	medium	2	0	organic sodium salt
salicylates	[no description available]	medium	1	0	monohydroxybenzoate	plant metabolite
trimethaphan	[no description available]	medium	1	0	sulfonium compound	anaesthesia adjuvant; antihypertensive agent; nicotinic antagonist; vasodilator agent
metaraminol	[no description available]	medium	2	0	phenylethanolamines	alpha-adrenergic agonist; sympathomimetic agent; vasoconstrictor agent
2-methyl-4-chlorophenoxyacetic acid	[no description available]	medium	2	0	chlorophenoxyacetic acid; monochlorobenzenes	environmental contaminant; phenoxy herbicide; synthetic auxin
4-acetamido-4'-isothiocyanatostilbene-2,2'-disulfonic acid	[no description available]	medium	1	0	stilbenoid
flavin mononucleotide	[no description available]	medium	1	0
2-tolidine	[no description available]	medium	1	0	biphenyls
sodium thiosulfate	[no description available]	medium	1	0	inorganic sodium salt	antidote to cyanide poisoning; antifungal drug; nephroprotective agent
thiosulfates	[no description available]	medium	3	0	divalent inorganic anion; sulfur oxide; sulfur oxoanion	human metabolite
alcian blue	[no description available]	medium	1	0
metiamide	[no description available]	medium	1	0	imidazoles
dipropizine	[no description available]	medium	1	0	piperazines
substance p, sar(9)-met(o2)(11)-	[no description available]	medium	4	0
diphenhydramine hydrochloride	[no description available]	medium	1	0	hydrochloride; organoammonium salt	anti-allergic agent; antiemetic; antiparkinson drug; antipruritic drug; H1-receptor antagonist; local anaesthetic; muscarinic antagonist; sedative
lanthanum chloride	[no description available]	medium	1	0
acetaldehyde	[no description available]	medium	3	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
substance p	[no description available]	medium	1	0
neurokinin a	[no description available]	medium	11	0
pyrroles	[no description available]	medium	2	0	pyrrole; secondary amine
cromakalim	[no description available]	medium	2	0
leukotriene d4	[no description available]	medium	9	0	dipeptide; leukotriene; organic sulfide	bronchoconstrictor agent; human metabolite; mouse metabolite
2h-1,4-benzoxazine, 3,4-dihydro-2,2-dimethyl-6-nitro-4-(2-pyridinyl)-, n-oxide	[no description available]	medium	1	0
cp 96345	[no description available]	medium	10	0
methoxamine	[no description available]	medium	2	0	amphetamines	alpha-adrenergic agonist; antihypotensive agent
fura-2	[no description available]	medium	1	0
ginkgolide b	[no description available]	medium	6	0
bepafant	[no description available]	medium	1	0
triazoles	[no description available]	medium	12	0	1,2,3-triazole
fg 9041	[no description available]	medium	1	0	quinoxaline derivative
cyclothiazide	[no description available]	medium	2	0	benzothiadiazine	antihypertensive agent; diuretic
quinoxalines	[no description available]	medium	3	0	mancude organic heterobicyclic parent; naphthyridine; ortho-fused heteroarene
barium sulfate	[no description available]	medium	5	0	barium salt; inorganic barium salt; metal sulfate	radioopaque medium
quisqualic acid	[no description available]	medium	2	0	non-proteinogenic alpha-amino acid
epidermal growth factor	[no description available]	medium	1	0
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
glycocholic acid	[no description available]	medium	1	0	bile acid glycine conjugate	human metabolite
neurokinin a (4-10), beta-ala(8)-	[no description available]	medium	2	0
fk 224	[no description available]	medium	1	0
2,3-dioxo-6-nitro-7-sulfamoylbenzo(f)quinoxaline	[no description available]	medium	1	0	naphthalenes; sulfonic acid derivative
nitroarginine	[no description available]	medium	6	0	guanidines; L-arginine derivative; N-nitro compound; non-proteinogenic L-alpha-amino acid
cp 99994	[no description available]	medium	1	0
thiophosphoric acid	[no description available]	medium	1	0	phosphorothioic acid
neurokinin b	[no description available]	medium	4	0	polypeptide
clentiazem	[no description available]	medium	1	0
bucladesine	[no description available]	medium	1	0	3',5'-cyclic purine nucleotide
colforsin	[no description available]	medium	1	0	acetate ester; cyclic ketone; labdane diterpenoid; organic heterotricyclic compound; tertiary alpha-hydroxy ketone; triol	adenylate cyclase agonist; anti-HIV agent; antihypertensive agent; plant metabolite; platelet aggregation inhibitor; protein kinase A agonist
tungsten	[no description available]	medium	1	1	chromium group element atom	micronutrient
salmeterol xinafoate	[no description available]	medium	2	0	naphthoic acid
cl 316243	[no description available]	medium	1	0
thromboxane a2	[no description available]	medium	6	0	epoxy monocarboxylic acid; thromboxanes A	mouse metabolite
ro 363	[no description available]	medium	1	0
15-hydroxy-11 alpha,9 alpha-(epoxymethano)prosta-5,13-dienoic acid	[no description available]	medium	7	0
ici 118551	[no description available]	medium	2	0	aromatic ether; indanes; secondary alcohol; secondary amino compound	beta-adrenergic antagonist
dazoxiben	[no description available]	medium	1	0
bafilomycin a	[no description available]	medium	1	0
11-cis-retinal	[no description available]	medium	1	0	retinal	chromophore; human metabolite; mouse metabolite
u 74006f	[no description available]	medium	3	0	corticosteroid hormone
f 0401	[no description available]	medium	1	0
dihydropyridines	[no description available]	medium	3	0
fr 139317	[no description available]	medium	1	0
irl 1620	[no description available]	medium	1	0
6-aminonicotinamide	[no description available]	medium	2	0	aminopyridine; monocarboxylic acid amide; primary amino compound	antimetabolite; EC 1.1.1.44 (NADP(+)-dependent decarboxylating phosphogluconate dehydrogenase) inhibitor; teratogenic agent
pentetic acid	[no description available]	medium	10	0	pentacarboxylic acid	copper chelator
rolipram	[no description available]	medium	3	0	pyrrolidin-2-ones	antidepressant; EC 3.1.4.* (phosphoric diester hydrolase) inhibitor
nicardipine	[no description available]	medium	3	0	benzenes; C-nitro compound; diester; dihydropyridine; methyl ester; tertiary amino compound
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
neuropeptide y	[no description available]	medium	3	0
neuropeptide y (13-36)	[no description available]	medium	1	0
resiniferatoxin	[no description available]	medium	1	0	carboxylic ester; diterpenoid; enone; monomethoxybenzene; organic heteropentacyclic compound; ortho ester; phenols; tertiary alpha-hydroxy ketone	analgesic; neurotoxin; plant metabolite; TRPV1 agonist
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
ferric chloride	[no description available]	medium	2	0	iron coordination entity	astringent; Lewis acid
ammonium acetate	[no description available]	medium	1	0	acetate salt; ammonium salt	buffer; food acidity regulator
glycidyl nitrate	[no description available]	medium	1	0
ici 192605	[no description available]	medium	1	0
web 2086	[no description available]	medium	8	0	organonitrogen heterocyclic compound; organosulfur heterocyclic compound
chlorisondamine	[no description available]	medium	1	0	isoindoles
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
cycloheximide	[no description available]	medium	1	0	antibiotic fungicide; cyclic ketone; dicarboximide; piperidine antibiotic; piperidones; secondary alcohol	anticoronaviral agent; bacterial metabolite; ferroptosis inhibitor; neuroprotective agent; protein synthesis inhibitor
1,7-phenanthroline	[no description available]	medium	1	0	phenanthroline
ibudilast	[no description available]	medium	1	0	pyrazolopyridine
trimellitic anhydride	[no description available]	medium	2	0	2-benzofurans; cyclic dicarboxylic anhydride; dioxo monocarboxylic acid	allergen; epitope; hapten
op 41483-alpha-cyclodextrin	[no description available]	medium	1	0
idazoxan	[no description available]	medium	1	0	benzodioxine; imidazolines	alpha-adrenergic antagonist
3-methylcholanthrene	[no description available]	medium	1	0	ortho- and peri-fused polycyclic arene	aryl hydrocarbon receptor agonist; carcinogenic agent
chloroaluminum tetrasulfophthalocyanine	[no description available]	medium	1	0
copper phthalocyanine	[no description available]	medium	8	0
deoxyglucose	[no description available]	medium	3	0
lysophosphatidylcholines	[no description available]	medium	1	0	1-O-acyl-sn-glycero-3-phosphocholine
thiorphan	[no description available]	medium	1	0	N-acyl-amino acid
n-formylmethionine leucyl-phenylalanine	[no description available]	medium	2	0	tripeptide
ici 198615	[no description available]	medium	2	0
4-anisyltetrazolium blue	[no description available]	medium	1	0	organic chloride salt	dye
sepharose	[no description available]	medium	1	0
apraclonidine	[no description available]	medium	1	0	dichlorobenzene; guanidines; imidazolines	alpha-adrenergic agonist; antiglaucoma drug; beta-adrenergic agonist; diagnostic agent; ophthalmology drug
dapiprazole	[no description available]	medium	1	0	N-alkylpiperazine; N-arylpiperazine; pyridines	alpha-adrenergic antagonist; antipsychotic agent; miotic; ophthalmology drug
bn 50730	[no description available]	medium	2	0
nedocromil	[no description available]	medium	2	0	dicarboxylic acid; organic heterotricyclic compound	anti-allergic agent; anti-asthmatic drug; non-steroidal anti-inflammatory drug
leukotriene c4	[no description available]	medium	3	0	leukotriene	bronchoconstrictor agent; human metabolite; mouse metabolite
leukotriene e4	[no description available]	medium	2	0	amino dicarboxylic acid; L-cysteine thioether; leukotriene; non-proteinogenic L-alpha-amino acid; secondary alcohol
tetrodotoxin	[no description available]	medium	4	0	azatetracycloalkane; oxatetracycloalkane; quinazoline alkaloid	animal metabolite; bacterial metabolite; marine metabolite; neurotoxin; voltage-gated sodium channel blocker
hexamethonium	[no description available]	medium	2	0	quaternary ammonium salt
ono 1078	[no description available]	medium	2	0	chromones
tempo	[no description available]	medium	1	0	aminoxyls; piperidines	catalyst; ferroptosis inhibitor; radical scavenger
nitroxyl	[no description available]	medium	1	0	nitrogen oxoacid
palmidrol	[no description available]	medium	1	0	endocannabinoid; N-(long-chain-acyl)ethanolamine; N-(saturated fatty acyl)ethanolamine	anti-inflammatory drug; anticonvulsant; antihypertensive agent; neuroprotective agent
5,7-dihydroxytryptamine	[no description available]	medium	1	0
antimycin a	[no description available]	medium	1	0	amidobenzoic acid
lexipafant	[no description available]	medium	1	0
beta-alanine	[no description available]	medium	1	0	amino acid zwitterion; beta-amino acid	agonist; fundamental metabolite; human metabolite; inhibitor; neurotransmitter
metaperiodate	[no description available]	medium	1	0	iodine oxoacid
dalteparin	[no description available]	medium	1	0
metaperiodate	[no description available]	medium	1	0	iodine oxoanion; monovalent inorganic anion
valine	[no description available]	medium	1	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
lacidipine	[no description available]	medium	1	0	cinnamate ester; tert-butyl ester
gyki 52466	[no description available]	medium	1	0	benzodiazepine
adenosine diphosphate	[no description available]	medium	5	0	adenosine 5'-phosphate; purine ribonucleoside 5'-diphosphate	fundamental metabolite; human metabolite
adp beta s	[no description available]	medium	1	0
lucifer yellow	[no description available]	medium	2	0	organic lithium salt	fluorochrome
sorbinil	[no description available]	medium	1	0	azaspiro compound; chromanes; imidazolidinone; organofluorine compound; oxaspiro compound	antioxidant; EC 1.1.1.21 (aldehyde reductase) inhibitor
imidazolidines	[no description available]	medium	1	0	azacycloalkane; imidazolidines; saturated organic heteromonocyclic parent
6-anilino-5,8-quinolinedione	[no description available]	medium	1	0	aminoquinoline; aromatic amine; p-quinones; quinolone	antineoplastic agent; EC 4.6.1.2 (guanylate cyclase) inhibitor
alpha-amino-3-hydroxy-5-methyl-4-isoxazolepropionic acid	[no description available]	medium	2	0	non-proteinogenic alpha-amino acid
sesamodil	[no description available]	medium	1	0
5,5'-bis(8-(phenylamino)-1-naphthalenesulfonate)	[no description available]	medium	1	0
trinitrobenzenesulfonic acid	[no description available]	medium	1	0	arenesulfonic acid; C-nitro compound	epitope; explosive; reagent
fructose-1,6-diphosphate	[no description available]	medium	1	0
efaroxan	[no description available]	medium	1	0	1-benzofurans
sodium hydroxide	[no description available]	medium	1	0	alkali metal hydroxide
ifenprodil	[no description available]	medium	1	0	piperidines
3-nitropropionic acid	[no description available]	medium	1	0	C-nitro compound	antimycobacterial drug; EC 1.3.5.1 [succinate dehydrogenase (quinone)] inhibitor; mycotoxin; neurotoxin
perfluorotributylamine	[no description available]	medium	1	0	organofluorine compound	blood substitute; greenhouse gas; solvent
fluorine	[no description available]	medium	1	0	diatomic fluorine; gas molecular entity	NMR chemical shift reference compound
fedotozine	[no description available]	medium	1	0
adenosine-5'-(n-ethylcarboxamide)	[no description available]	medium	1	0	adenosines; monocarboxylic acid amide	adenosine A1 receptor agonist; adenosine A2A receptor agonist; antineoplastic agent; EC 3.1.4.* (phosphoric diester hydrolase) inhibitor; vasodilator agent
xanthine	[no description available]	medium	1	0	xanthine	Saccharomyces cerevisiae metabolite
arginine vasopressin	[no description available]	medium	1	0	vasopressin	cardiovascular drug; hematologic agent; mitogen
niravoline	[no description available]	medium	1	0
acid phosphatase	[no description available]	medium	4	0
platinum	[no description available]	medium	2	0	elemental platinum; nickel group element atom; platinum group metal atom
taurocholic acid	[no description available]	medium	3	0	amino sulfonic acid; bile acid taurine conjugate	human metabolite
helium	[no description available]	medium	1	0	monoatomic helium; noble gas atom; s-block element atom	food packaging gas
bradykinin, leu(8)-des-arg(9)-	[no description available]	medium	1	0
nicaraven	[no description available]	medium	1	0
sr 140333	[no description available]	medium	2	0
quinuclidines	[no description available]	medium	2	0	quinuclidines; saturated organic heterobicyclic parent
mast cell degranulating peptide	[no description available]	medium	1	0
prilocaine	[no description available]	medium	1	0	amino acid amide; monocarboxylic acid amide	anticonvulsant; local anaesthetic
psd 502	[no description available]	medium	1	0
cp 122288	[no description available]	medium	1	0
spermine	[no description available]	medium	1	0	polyazaalkane; tetramine	antioxidant; fundamental metabolite; immunosuppressive agent
7-nitroindazole	[no description available]	medium	2	0
vasoactive intestinal peptide	[no description available]	medium	3	0
calcium dobesilate	[no description available]	medium	1	0
imirestat	[no description available]	medium	1	0
galactose	[no description available]	medium	2	0	D-galactose; galactopyranose	Escherichia coli metabolite; mouse metabolite
hydantoins	[no description available]	medium	2	0	imidazolidine-2,4-dione
arabinose	[no description available]	medium	7	0	L-arabinose	Escherichia coli metabolite; mouse metabolite
fr 173657	[no description available]	medium	1	0
uniblue a	[no description available]	medium	1	0
reactive red 2	[no description available]	medium	1	0
diacetylfluorescein	[no description available]	medium	1	0
4-(2-aminoethyl)benzenesulfonylfluoride	[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
phosphotyrosine	[no description available]	medium	1	0	L-tyrosine derivative; non-proteinogenic L-alpha-amino acid; O(4)-phosphotyrosine	Escherichia coli metabolite; immunogen
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
myelin basic protein	[no description available]	medium	1	0
fk 409	[no description available]	medium	1	0
bb 1101	[no description available]	medium	1	0
acrolein	[no description available]	medium	1	0	enal	herbicide; human xenobiotic metabolite; toxin
acetone	[no description available]	medium	1	0	ketone body; methyl ketone; propanones; volatile organic compound	EC 3.5.1.4 (amidase) inhibitor; human metabolite; polar aprotic solvent
clenbuterol	[no description available]	medium	1	0	amino alcohol; dichlorobenzene; ethanolamines; primary arylamine; secondary amino compound; substituted aniline	beta-adrenergic agonist; bronchodilator agent; sympathomimetic agent
thapsigargin	[no description available]	medium	1	0	butyrate ester; organic heterotricyclic compound; sesquiterpene lactone	calcium channel blocker; EC 3.6.3.8 (Ca(2+)-transporting ATPase) inhibitor
iberiotoxin	[no description available]	medium	2	0
tesmilifene	[no description available]	medium	1	0	diarylmethane
galactocerebroside	[no description available]	medium	1	0
tetraethylammonium	[no description available]	medium	1	0	quaternary ammonium ion
grepafloxacin	[no description available]	medium	1	0	fluoroquinolone antibiotic; quinolines; quinolone antibiotic
methacholine chloride	[no description available]	medium	1	0	quaternary ammonium salt
8-phenyltheophylline	[no description available]	medium	1	0
1h-(1,2,4)oxadiazolo(4,3-a)quinoxalin-1-one	[no description available]	medium	1	0	oxadiazoloquinoxaline	EC 4.6.1.2 (guanylate cyclase) inhibitor
benserazide	[no description available]	medium	1	0	carbohydrazide; catechols; primary alcohol; primary amino compound	antiparkinson drug; dopaminergic agent; EC 4.1.1.28 (aromatic-L-amino-acid decarboxylase) inhibitor
alpha-eudesmol	[no description available]	medium	1	0	eudesmane sesquiterpenoid; octahydronaphthalenes; tertiary alcohol	volatile oil component
peroxynitric acid	[no description available]	medium	2	0	nitrogen oxoacid
lissamine rhodamine b	[no description available]	medium	1	0
texas red	[no description available]	medium	1	0	organic heteroheptacyclic compound	fluorochrome
xanthenes	[no description available]	medium	1	0	xanthene
nickel	[no description available]	medium	1	0	metal allergen; nickel group element atom	epitope; micronutrient
dantrolene	[no description available]	medium	1	0	hydrazone; imidazolidine-2,4-dione	muscle relaxant; neuroprotective agent; ryanodine receptor antagonist
ly 255283	[no description available]	medium	1	0	aromatic ketone
cp 105696	[no description available]	medium	1	0
vofopitant	[no description available]	medium	1	0
8-epi-prostaglandin f2alpha	[no description available]	medium	1	0	F2-isoprostane	biomarker; bronchoconstrictor agent; vasoconstrictor agent
ketorolac	[no description available]	medium	1	0	amino acid; aromatic ketone; monocarboxylic acid; pyrrolizines; racemate	analgesic; cyclooxygenase 1 inhibitor; cyclooxygenase 2 inhibitor; non-steroidal anti-inflammatory drug
8-isoprostaglandin e2	[no description available]	medium	1	0	cyclic ketone; diol; prostanoid; secondary alcohol	bronchoconstrictor agent; human metabolite; rat metabolite; vasoconstrictor agent
uroguanylin	[no description available]	medium	1	0
selenium	[no description available]	medium	2	0	chalcogen; nonmetal atom	micronutrient
ebselen	[no description available]	medium	1	0	benzoselenazole	anti-inflammatory drug; antibacterial agent; anticoronaviral agent; antifungal agent; antineoplastic agent; antioxidant; apoptosis inducer; EC 1.13.11.33 (arachidonate 15-lipoxygenase) inhibitor; EC 1.13.11.34 (arachidonate 5-lipoxygenase) inhibitor; EC 1.3.1.8 [acyl-CoA dehydrogenase (NADP(+))] inhibitor; EC 1.8.1.12 (trypanothione-disulfide reductase) inhibitor; EC 2.5.1.7 (UDP-N-acetylglucosamine 1-carboxyvinyltransferase) inhibitor; EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor; EC 3.1.3.25 (inositol-phosphate phosphatase) inhibitor; EC 3.4.22.69 (SARS coronavirus main proteinase) inhibitor; EC 3.5.4.1 (cytosine deaminase) inhibitor; EC 5.1.3.2 (UDP-glucose 4-epimerase) inhibitor; enzyme mimic; ferroptosis inhibitor; genotoxin; hepatoprotective agent; neuroprotective agent; radical scavenger
dihydrorhodamine 123	[no description available]	medium	1	0
6-hydroxy-2,5,7,8-tetramethylchroman-2-carboxylic acid	[no description available]	medium	1	0	chromanol; monocarboxylic acid; phenols	antioxidant; ferroptosis inhibitor; neuroprotective agent; radical scavenger; Wnt signalling inhibitor
ovothiol c	[no description available]	medium	1	0	aryl thiol; L-alpha-amino acid zwitterion; L-histidine derivative	antioxidant; marine metabolite; radical scavenger
tolonium chloride	[no description available]	medium	1	0
glucoheptonate	[no description available]	medium	1	0	carbohydrate acid; monocarboxylic acid	metabolite
bp 2-94	[no description available]	medium	1	0
ciproxifan	[no description available]	medium	1	0	aromatic ketone
flunarizine	[no description available]	medium	3	0	diarylmethane
oxymetazoline	[no description available]	medium	1	0	carboxamidine; imidazolines; phenols	alpha-adrenergic agonist; nasal decongestant; sympathomimetic agent; vasoconstrictor agent
pyridostigmine bromide	[no description available]	medium	1	0	pyridinium salt
huperzine a	[no description available]	medium	1	0	quinolone
sesquiterpenes	[no description available]	medium	1	0
granisetron	[no description available]	medium	1	0	aromatic amide; indazoles
lactoferrin	[no description available]	medium	1	0
natriuretic peptide, brain	[no description available]	medium	1	0	polypeptide
diazoacetic ester	[no description available]	medium	1	0
4-nitroquinoline-1-oxide	[no description available]	medium	1	0	C-nitro compound; quinoline N-oxide	carcinogenic agent
7,10-dimethylbenz(c)acridine	[no description available]	medium	1	0
diepoxybutane	[no description available]	medium	1	0	epoxide	mutagen
acridines	[no description available]	medium	1	0	acridines; mancude organic heterotricyclic parent; polycyclic heteroarene	genotoxin
paxilline	[no description available]	medium	1	0	diterpene alkaloid; enone; organic heterohexacyclic compound; terpenoid indole alkaloid; tertiary alcohol	anticonvulsant; Aspergillus metabolite; EC 3.6.3.8 (Ca(2+)-transporting ATPase) inhibitor; genotoxin; geroprotector; mycotoxin; Penicillium metabolite; potassium channel blocker
2-hydroxyestradiol	[no description available]	medium	1	0	17beta-hydroxy steroid; 2-hydroxy steroid	carcinogenic agent; human metabolite; metabolite; mouse metabolite; prodrug
8-bromo cyclic adenosine monophosphate	[no description available]	medium	1	0	3',5'-cyclic purine nucleotide; adenyl ribonucleotide; organobromine compound	antidepressant; protein kinase agonist
d-phenylalanyl-cysteinyl-tyrosyl-tryptophyl-lysyl-cysteinyl-threoninamide	[no description available]	medium	1	0
linsidomine	[no description available]	medium	1	0	morpholines
vinyl acetate	[no description available]	medium	1	0	acetate ester
adrenomedullin	[no description available]	medium	1	0
phenylthiourea	[no description available]	medium	1	0	thioureas	EC 1.14.18.1 (tyrosinase) inhibitor
n-acetyldopamine	[no description available]	medium	1	0	acetamides; catechols; N-(fatty acyl)-dopamine; secondary carboxamide	human urinary metabolite; marine metabolite
fast red ta	[no description available]	medium	1	0
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
baicalein	[no description available]	medium	1	0	trihydroxyflavone	angiogenesis inhibitor; anti-inflammatory agent; antibacterial agent; anticoronaviral agent; antifungal agent; antineoplastic agent; antioxidant; apoptosis inducer; EC 1.13.11.31 (arachidonate 12-lipoxygenase) inhibitor; EC 1.13.11.33 (arachidonate 15-lipoxygenase) inhibitor; EC 3.4.21.26 (prolyl oligopeptidase) inhibitor; EC 3.4.22.69 (SARS coronavirus main proteinase) inhibitor; EC 4.1.1.17 (ornithine decarboxylase) inhibitor; ferroptosis inhibitor; geroprotector; hormone antagonist; plant metabolite; prostaglandin antagonist; radical scavenger
magnolol	[no description available]	medium	1	0	biphenyls
acridine orange	[no description available]	medium	1	0	aminoacridines; aromatic amine; tertiary amino compound	fluorochrome; histological dye
ono 3708	[no description available]	medium	1	0
s 145	[no description available]	medium	1	0	monoterpenoid
sta 2	[no description available]	medium	1	0
sodium fluoride	[no description available]	medium	1	0	fluoride salt	mutagen
benactyzine	[no description available]	medium	1	0	diarylmethane
fepracet	[no description available]	medium	1	0
rhodium	[no description available]	medium	1	0	cobalt group element atom
furapromide	[no description available]	medium	1	0
pancuronium	[no description available]	medium	2	0	acetate ester; steroid ester	cholinergic antagonist; muscle relaxant; nicotinic antagonist
meclofenamic acid	[no description available]	medium	1	0	aminobenzoic acid; organochlorine compound; secondary amino compound	analgesic; anticonvulsant; antineoplastic agent; antipyretic; antirheumatic drug; EC 1.13.11.34 (arachidonate 5-lipoxygenase) inhibitor; EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor; non-steroidal anti-inflammatory drug
galactose	[no description available]	medium	1	0
corticosterone	[no description available]	medium	1	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
ristocetin	[no description available]	medium	1	0	glycopeptide; heterodetic cyclic peptide; macrocycle; tetrasaccharide derivative	antibacterial drug; antimicrobial agent; bacterial metabolite; platelet-activating factor receptor agonist
hexadimethrine bromide	[no description available]	medium	1	0
thymidine	[no description available]	medium	2	0	pyrimidine 2'-deoxyribonucleoside	Escherichia coli metabolite; human metabolite; metabolite; mouse metabolite
ibotenic acid	[no description available]	medium	1	0	non-proteinogenic alpha-amino acid	neurotoxin
7-amino-4-methylcoumarin-3-acetate	[no description available]	medium	1	0
tetramethylrhodamine isothiocyanate	[no description available]	medium	2	0
16,16-dimethylprostaglandin e2	[no description available]	medium	1	0	cyclopentanones; monocarboxylic acid; prostanoid; secondary allylic alcohol	anti-ulcer drug; gastrointestinal drug; radiation protective agent
ammonium sulfate	[no description available]	medium	1	0	ammonium salt; inorganic sulfate salt	fertilizer
naphthol yellow	[no description available]	medium	1	0	C-nitro compound; naphthalenesulfonic acid; naphthols	histological dye
orange g	[no description available]	medium	2	0
broxaterol	[no description available]	medium	1	0
isoxazoles	[no description available]	medium	1	0	isoxazoles; mancude organic heteromonocyclic parent; monocyclic heteroarene
thromboxane b2	[no description available]	medium	1	0	thromboxanes B	human metabolite; mouse metabolite
technetium tc 99m pentetate	[no description available]	medium	3	0
levuglandin e2	[no description available]	medium	1	0	levuglandin
milrinone	[no description available]	medium	1	0	bipyridines; nitrile; pyridone	cardiotonic drug; EC 3.1.4.17 (3',5'-cyclic-nucleotide phosphodiesterase) inhibitor; platelet aggregation inhibitor; vasodilator agent
argon	[no description available]	medium	2	0	monoatomic argon; noble gas atom; p-block element atom	food packaging gas; neuroprotective agent
gallium	[no description available]	medium	1	0	boron group element atom
aa 861	[no description available]	medium	2	0	1,4-benzoquinones; acetylenic compound; primary alcohol	EC 1.13.11.34 (arachidonate 5-lipoxygenase) inhibitor; ferroptosis inhibitor
benidipine	[no description available]	medium	1	0
2-methyl-3-(4-(3-pyridinylmethyl)phenyl)-2-propenoic acid	[no description available]	medium	1	0
technetium tc 99m pyrophosphate	[no description available]	medium	1	0
methylprednisolone hemisuccinate	[no description available]	medium	1	0	corticosteroid hormone; hemisuccinate
dilazep	[no description available]	medium	1	0	benzoate ester; diazepane; diester; methoxybenzenes	cardioprotective agent; platelet aggregation inhibitor; vasodilator agent
chloropyramine	[no description available]	medium	1	0	aminopyridine
fluprednisolone	[no description available]	medium	1	0	fluorinated steroid
halopredone acetate	[no description available]	medium	1	0	organic molecular entity
dazmegrel	[no description available]	medium	1	0
xylamidine	[no description available]	medium	1	0
pobilukast	[no description available]	medium	1	0
2-(2-hydroxy-4-methylphenyl)aminothiazole	[no description available]	medium	1	0	organic molecular entity
tyrosyl-seryl(o-tert-butyl)-glycyl-phenylalanyl-leucyl-threonine	[no description available]	medium	1	0
u-50488	[no description available]	medium	1	0	dichlorobenzene; monocarboxylic acid amide; N-alkylpyrrolidine	analgesic; antitussive; calcium channel blocker; diuretic; kappa-opioid receptor agonist
bis(1,3-diethylthiobarbiturate)trimethineoxonol	[no description available]	medium	1	0
a 63162	[no description available]	medium	1	0
thromboxanes	[no description available]	medium	2	0
u 44069	[no description available]	medium	1	0	prostanoid
bw-755c	[no description available]	medium	1	0
hydrogen	[no description available]	medium	1	0	elemental hydrogen; elemental molecule; gas molecular entity	antioxidant; electron donor; food packaging gas; fuel; human metabolite
dithiothreitol	[no description available]	medium	1	0	1,4-dimercaptobutane-2,3-diol; butanediols; dithiol; glycol; thiol	chelator; human metabolite; reducing agent
nystatin a1	[no description available]	medium	1	0	nystatins
cephalosporin c	[no description available]	medium	1	0	cephalosporin	fungal metabolite
bw 245c	[no description available]	medium	1	0	imidazolidine-2,4-dione; monocarboxylic acid; secondary alcohol
9-deoxy-delta-9-prostaglandin d2	[no description available]	medium	1	0	prostaglandins J	human metabolite
beta-lactams	[no description available]	medium	1	0	beta-lactam antibiotic allergen; beta-lactam
piracetam	[no description available]	medium	1	0	organonitrogen compound; organooxygen compound
taurochenodeoxycholic acid	[no description available]	medium	1	0	bile acid taurine conjugate	human metabolite; mouse metabolite
toluene 2,4-diisocyanate	[no description available]	medium	2	0	toluene meta-diisocyanate	allergen; hapten
cyanates	[no description available]	medium	1	0
formazans	[no description available]	medium	1	0
thimerosal	[no description available]	medium	1	0	alkylmercury compound	antifungal drug; antiseptic drug; disinfectant; drug allergen
silver nitrate	[no description available]	medium	1	0	inorganic nitrate salt; silver salt	astringent
ferrous chloride	[no description available]	medium	1	0	iron coordination entity
oxitropium	[no description available]	medium	1	0
iopromide	[no description available]	medium	2	0	dicarboxylic acid diamide; organoiodine compound	environmental contaminant; nephrotoxic agent; radioopaque medium; xenobiotic
neutral red	[no description available]	medium	1	0	hydrochloride	acid-base indicator; dye; two-colour indicator
uridine diphosphate	[no description available]	medium	1	0	pyrimidine ribonucleoside 5'-diphosphate; uridine 5'-phosphate	Escherichia coli metabolite; mouse metabolite
pirenzepine	[no description available]	medium	1	0	pyridobenzodiazepine	anti-ulcer drug; antispasmodic drug; muscarinic antagonist
primuline	[no description available]	high	1	0	organic sodium salt; organosulfonate salt	fluorochrome; histological dye
amifostine anhydrous	[no description available]	medium	1	0	diamine; organic thiophosphate	antioxidant; prodrug; radiation protective agent
bromthymol blue	[no description available]	medium	1	0	2,1-benzoxathiole; arenesulfonate ester; organobromine compound; polyphenol; sultone	acid-base indicator; dye; two-colour indicator
thymol	[no description available]	medium	1	0	monoterpenoid; phenols	volatile oil component
2,5-bis(3,4,5-trimethoxyphenyl)tetrahydrofuran	[no description available]	medium	1	0
zinostatin	[no description available]	medium	2	0
maleic anhydride	[no description available]	medium	2	0	cyclic dicarboxylic anhydride; furans	allergen
aurin	[no description available]	medium	1	0	diarylmethane
ferrous sulfate	[no description available]	medium	1	0	iron molecular entity; metal sulfate	reducing agent
iotrolan	[no description available]	medium	1	0	organic molecular entity
neodymium	[no description available]	medium	1	0	f-block element atom; lanthanoid atom
triethyltin	[no description available]	medium	1	0
buserelin	[no description available]	medium	1	0	oligopeptide
l 655240	[no description available]	medium	1	0	methylindole
enkephalin-leu, ala(2)-arg(6)-	[no description available]	medium	1	0
enkephalin, leucine	[no description available]	medium	1	0	pentapeptide; peptide zwitterion	analgesic; delta-opioid receptor agonist; human metabolite; mu-opioid receptor agonist; neurotransmitter; rat metabolite
enkephalin, leucine-2-alanine	[no description available]	medium	1	0
2'-hydroxy-5,9-dimethyl-2-allyl-6,7-benzomorphan	[no description available]	medium	1	0
phenazocine	[no description available]	medium	1	0
enkephalin, ala(2)-mephe(4)-gly(5)-	[no description available]	medium	1	0
ethylnitrosourea	[no description available]	medium	1	0	N-nitrosoureas	alkylating agent; carcinogenic agent; genotoxin; mutagen
boron	[no description available]	medium	1	0	boron group element atom; metalloid atom; nonmetal atom	micronutrient
palmitic acid	[no description available]	medium	1	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
mustard gas	[no description available]	medium	1	0	ethyl sulfide; organochlorine compound	alkylating agent; carcinogenic agent; vesicant
trazodone hydrochloride	[no description available]	medium	4	0	hydrochloride	adrenergic antagonist; antidepressant; H1-receptor antagonist; sedative; serotonin uptake inhibitor
fusarium	[no description available]	medium	1	0
isomethyleugenol	[no description available]	medium	2	0	isomethyleugenol
nociceptin	[no description available]	medium	2	0	organic molecular entity; polypeptide	human metabolite; rat metabolite
guaifenesin	[no description available]	medium	3	0	methoxybenzenes
ants	[no description available]	medium	1	0
fomesafen	[no description available]	medium	7	0	aromatic ether; C-nitro compound; monochlorobenzenes; N-sulfonylcarboxamide; organofluorine compound; phenols	agrochemical; EC 1.3.3.4 (protoporphyrinogen oxidase) inhibitor; herbicide
propiconazole	[no description available]	medium	1	0	conazole fungicide; cyclic ketal; dichlorobenzene; triazole fungicide; triazoles	antifungal agrochemical; EC 1.14.13.70 (sterol 14alpha-demethylase) inhibitor; environmental contaminant; xenobiotic
enerbol	[no description available]	medium	1	0
eye	[no description available]	medium	5	0
rome	[no description available]	medium	1	0	2-amino-2-(methoxymethyl)-4-(4-octylphenyl)butan-1-ol	EC 2.7.1.91 (sphingosine kinase) inhibitor
inositol 3-phosphate	[no description available]	medium	3	0
jaw	[no description available]	medium	3	0	indolecarboxamide
trolamine salicylate	[no description available]	medium	4	0
cefzil	[no description available]	medium	1	0
acriflavine chloride	[no description available]	low	0	0	organic chloride salt	antibacterial agent; antiseptic drug; carcinogenic agent; histological dye; intercalator
pyronine	[no description available]	low	0	0	iminium salt; organic chloride salt	histological dye
malachite green	[no description available]	low	0	0	organic chloride salt	antibacterial agent; antifungal drug; carcinogenic agent; environmental contaminant; fluorochrome; histological dye; teratogenic agent
brilliant green	[no description available]	low	0	0	organic hydrogensulfate salt	antibacterial agent; antiseptic drug; environmental contaminant; fluorochrome; histological dye; poison
pyronine b	[no description available]	low	0	0	iminium salt; organic chloride salt	histological dye
basic blue k	[no description available]	low	0	0	iminium salt; organic chloride salt	fluorochrome; histological dye
fast green fcf	[no description available]	medium	0	0	organic sodium salt	fluorochrome; food colouring; histological dye
thioflavin t	[no description available]	low	0	0	organic chloride salt	fluorochrome; geroprotector; histological dye
ethyl violet	[no description available]	low	0	0	organic chloride salt	fluorochrome; histological dye
benzophenoneidum	[no description available]	low	0	0	hydrochloride	fluorochrome; histological dye
victoria blue b	[no description available]	low	0	0	iminium salt; organic chloride salt	fluorochrome; histological dye
red 2g	[no description available]	medium	0	0	organic sodium salt	histological dye
biebrich scarlet	[no description available]	medium	0	0	organic sodium salt	histological dye
chromotrope 2r	[no description available]	medium	0	0	organic sodium salt	histological dye
light green sf	[no description available]	medium	0	0	organic sodium salt	histological dye
brilliant crocein	[no description available]	medium	0	0	organic sodium salt	histological dye
osmium tetroxide	[no description available]	low	0	0	osmium coordination entity	fixative; histological dye; oxidising agent; poison
sudan black b	[no description available]	low	0	0	azobenzenes; bis(azo) compound; perimidines	histological dye
scarlet red	[no description available]	low	0	0	azobenzenes; bis(azo) compound; naphthols	carcinogenic agent; fluorochrome; histological dye
sudan iii	[no description available]	low	0	0	azobenzenes; bis(azo) compound; naphthols	carcinogenic agent; fluorochrome; histological dye
iodonitrotetrazolium	[no description available]	low	0	0	organic chloride salt	histological dye
nile red	[no description available]	low	0	0	aromatic amine; cyclic ketone; organic heterotetracyclic compound; tertiary amino compound	fluorochrome; histological dye
phenosafranine	[no description available]	low	0	0	organic chloride salt	fluorochrome; histological dye; photosensitizing agent
fast blue b	[no description available]	low	0	0	aromatic diazonium ion	histological dye
brazilin	[no description available]	low	0	0	catechols; organic heterotetracyclic compound; tertiary alcohol	anti-inflammatory agent; antibacterial agent; antineoplastic agent; antioxidant; apoptosis inducer; biological pigment; hepatoprotective agent; histological dye; NF-kappaB inhibitor; plant metabolite
gallein	[no description available]	low	0	0	2-benzofurans; gamma-lactone; organic heteropentacyclic compound; oxaspiro compound; polyphenol; xanthene dye	fluorochrome; G-protein-coupled receptor antagonist; histological dye
c.i. direct red 80	[no description available]	medium	0	0	organic sodium salt	fluorochrome; histological dye
methylene green	[no description available]	low	0	0	organic chloride salt	fluorochrome; histological dye
victoria blue 4r	[no description available]	low	0	0	iminium salt; organic chloride salt	fluorochrome; histological dye
safranine t	[no description available]	low	0	0	organic chloride salt	fluorochrome; histological dye
ponceau s	[no description available]	medium	0	0	organic sodium salt; organosulfonate salt	fluorochrome; histological dye
metanil yellow	[no description available]	medium	0	0	organic sodium salt	histological dye
gardenia yellow	[no description available]	low	0	0	diester; disaccharide derivative; diterpenoid	antioxidant; food colouring; histological dye; plant metabolite
lissamine rhodamine b	[no description available]	medium	0	0	organic sodium salt	fluorescent probe; fluorochrome; histological dye
carmine	[no description available]	low	0	0	C-glycosyl compound; monocarboxylic acid; tetrahydroxyanthraquinone	animal metabolite; histological dye
eosine i bluish	[no description available]	medium	0	0	organic sodium salt	fluorescent dye; histological dye
new fuchsin	[no description available]	low	0	0	hydrochloride	fluorochrome; histological dye
azocarmine g	[no description available]	medium	0	0	organic sodium salt	histological dye
nuclear fast red	[no description available]	medium	0	0	organic sodium salt	fluorochrome; histological dye
alcian yellow	[no description available]	low	0	0	iminium salt; organic chloride salt	fluorochrome; histological dye
hoe 33342	[no description available]	low	0	0	bibenzimidazole; N-methylpiperazine	fluorochrome
ethidium	[no description available]	low	0	0	phenanthridines	fluorochrome; intercalator
monodansylcadaverine	[no description available]	low	0	0	aminonaphthalene; primary amino compound; sulfonamide; tertiary amino compound	EC 2.3.2.13 (protein-glutamine gamma-glutamyltransferase) inhibitor; fluorochrome; protective agent
uvitex swn	[no description available]	low	0	0	7-aminocoumarins	fluorochrome
biphenylacetylene	[no description available]	low	0	0	arylacetylene; benzenes	fluorochrome
dithiazanine	[no description available]	low	0	0	benzothiazoles; benzothiazolium ion	anthelminthic drug; fluorochrome
herniarin	[no description available]	low	0	0	coumarins	fluorochrome
cascade blue	[no description available]	low	0	0	aminonaphthalene	fluorochrome
9,10-diphenylanthracene	[no description available]	low	0	0	anthracenes	fluorochrome; photosensitizing agent
popop	[no description available]	low	0	0	1,3-oxazoles	fluorochrome
4-chloro-7-nitrobenzofurazan	[no description available]	low	0	0	benzoxadiazole; C-nitro compound; organochlorine compound	EC 1.4.3.4 (monoamine oxidase) inhibitor; EC 3.6.1.3 (adenosinetriphosphatase) inhibitor; fluorescent probe; fluorochrome
pyranine	[no description available]	medium	0	0	organic sodium salt	fluorochrome
2',7'-dichlorofluorescein	[no description available]	low	0	0	2-benzofurans	fluorochrome
fluorexon	[no description available]	low	0	0	xanthene dye	fluorochrome
rhodamine 123	[no description available]	low	0	0	organic chloride salt; xanthene dye	fluorochrome
tris(2,2'-bipyridine)ruthenium(II)	[no description available]	low	0	0	ruthenium coordination entity	fluorochrome
perylenediimide	[no description available]	low	0	0	dicarboximide; organic heteropolycyclic compound	fluorochrome
coumarin 153	[no description available]	low	0	0	7-aminocoumarins	fluorochrome
coumarin 314	[no description available]	low	0	0	7-aminocoumarins; ethyl ester	fluorochrome
9,10-bis(phenylethynyl)anthracene	[no description available]	low	0	0	anthracenes; arylacetylene; benzenes	fluorochrome
oxazine 1	[no description available]	low	0	0	organic cation; phenoxazine	fluorochrome
7-amino-4-methylcoumarin	[no description available]	low	0	0	7-aminocoumarins	fluorochrome
coumarin 480	[no description available]	low	0	0	7-aminocoumarins	fluorochrome
coumarin 6	[no description available]	low	0	0	7-aminocoumarins	fluorochrome
7-amino-4-trifluoromethylcoumarin	[no description available]	low	0	0	7-aminocoumarins	fluorochrome
fluo-3	[no description available]	low	0	0	xanthene dye	fluorochrome
indo-1	[no description available]	low	0	0	indoles	fluorochrome
coumarin 343	[no description available]	low	0	0	7-aminocoumarins	fluorochrome
monobromobimane	[no description available]	low	0	0	organobromine compound; pyrazolopyrazole	fluorochrome
monochlorobimane	[no description available]	low	0	0	organochlorine compound; pyrazolopyrazole	fluorochrome
sulforhodamine 101	[no description available]	low	0	0	organic heteroheptacyclic compound	fluorochrome
5-chloromethylfluorescein diacetate	[no description available]	low	0	0	acetate ester	fluorochrome
4-carboxyfluorescein	[no description available]	low	0	0	monocarboxylic acid	fluorochrome
sodium-binding benzofuran isophthalate	[no description available]	low	0	0	1-benzofurans; aromatic ether; crown compound; tetracarboxylic acid	fluorochrome
3-(4-carboxybenzoyl)-2-quinolinecarboxaldehyde	[no description available]	low	0	0	benzoic acids; quinolines	fluorochrome
dibromobimane	[no description available]	low	0	0	organobromine compound; pyrazolopyrazole	fluorochrome
7-nitrobenzoxadiazole-6-aminohexanoic acid	[no description available]	low	0	0	benzoxadiazole; C-nitro compound; epsilon-amino acid; secondary amino compound	fluorochrome
hydromethylthionine	[no description available]	low	0	0	aromatic amine; phenothiazines; tertiary amino compound	bacterial xenobiotic metabolite; fluorochrome; mouse metabolite; rat metabolite
magnesium green	[no description available]	low	0	0	organic potassium salt	fluorochrome
7-methoxycoumarin-4-acetic acid	[no description available]	low	0	0	monocarboxylic acid	fluorochrome
calcein am	[no description available]	low	0	0	2-benzofurans; acetate ester; gamma-lactone; organic heteropentacyclic compound; oxaspiro compound; xanthene dye	fluorochrome
DND-167 dye	[no description available]	low	0	0	morpholines	fluorochrome
5-carboxytetramethylrhodamine	[no description available]	low	0	0	xanthenes	fluorochrome
rose bengal(2-)	[no description available]	low	0	0	monocarboxylic acid anion; xanthene dye	fluorochrome
oregon green 488 carboxylic acid	[no description available]	low	0	0	xanthene dye	epitope; fluorochrome
5,5',6,6'-tetrachloro-1,1',3,3'-tetraethylbenzimidazolocarbocyanine	[no description available]	low	0	0	cyanine dye; indolium ion	fluorochrome
diphenylhexatriene	[no description available]	low	0	0	alkatriene	fluorochrome
3,3'-diethyloxacarbocyanine	[no description available]	low	0	0	1,3-benzoxazoles; benzoxazolium ion; cyanine dye	fluorochrome
2-(4-(dimethylamino)styryl)-1-methylpyridinium	[no description available]	low	0	0	organic iodide salt; pyridinium salt; tertiary amine	fluorochrome
quinaldine blue	[no description available]	low	0	0	cyanine dye; organic iodide salt	fluorochrome
3,3'-dipentyl-2,2'-oxacarbocyanine	[no description available]	low	0	0	benzoxazolium ion; cyanine dye	fluorochrome
dithiazanine iodide	[no description available]	low	0	0	benzothiazoles; organic iodide salt	anthelminthic drug; fluorochrome
3,3'-dioctadecylindocarbocyanine	[no description available]	low	0	0	Cy5 dye; indolium ion	fluorochrome
4-(4-diethylaminostyryl)-n-methylpyridinium	[no description available]	low	0	0	organic iodide salt; pyridinium salt	fluorochrome
carbocyanines	[no description available]	low	0	0	cyanine dye; organic iodide salt	fluorochrome
3,3'-diethylthiacarbocyanine iodide	[no description available]	low	0	0	benzothiazoles; cyanine dye	fluorochrome
4-(4-dihexadecylaminostyryl)-n-methylpyridium	[no description available]	low	0	0	pyridinium ion; tertiary amine	fluorochrome
stains-all	[no description available]	low	0	0	cyanine dye; organic bromide salt	fluorochrome
1,1'-((4,4,7,7-tetramethyl)-4,7-diazaundecamethylene)bis-4-(3-methyl-2,3-dihydro(benzo-1,3-oxazole)-2-methylidine)quinolinium, tetraiodide	[no description available]	low	0	0	cyanine dye; organic iodide salt	fluorochrome
thiazole orange	[no description available]	low	0	0	cyanine dye	fluorochrome
1,1'-(4,4,7,7-tetramethyl-4,7-diazaundecamethylene)bis-4-(3-methyl-2,3-dihydro(benzo-1,3-thiazole)-2-methylidene)quinolinium	[no description available]	low	0	0	cyanine dye; organic iodide salt	fluorochrome
yo-pro 1	[no description available]	low	0	0	cyanine dye; organic iodide salt; quaternary ammonium salt	fluorochrome
fm1 43	[no description available]	low	0	0	organic bromide salt; pyridinium salt; quaternary ammonium salt; tertiary amine	fluorochrome
Alexa Fluor 555	[no description available]	low	0	0	xanthenes	fluorochrome
oregon green 514	[no description available]	low	0	0	xanthene dye	fluorochrome
epicocconone	[no description available]	low	0	0	organic heterotricyclic compound	fluorochrome
succinyl-leucyl-leucyl-valyl-tyrosyl-methylcoumarinamide	[no description available]	low	0	0	7-aminocoumarins; tetrapeptide	fluorochrome
tris(4,7-diphenyl-1,10-phenanthroline)ruthenium (ii)	[no description available]	low	0	0	ruthenium coordination entity	fluorochrome
calcium orange	[no description available]	low	0	0	xanthene dye	fluorochrome
calcium crimson	[no description available]	low	0	0	ammonium betaine; sulfonamide	fluorochrome
nk 5	[no description available]	low	0	0	organic iodide salt; quinolines	fluorochrome
yoyo-3	[no description available]	low	0	0	cyanine dye; organic iodide salt	fluorochrome
alexa fluor 546	[no description available]	low	0	0	organic heteropentacyclic compound	fluorochrome
acridine yellow	[no description available]	low	0	0	aminoacridines; hydrochloride	fluorochrome
mitotracker orange	[no description available]	low	0	0	organic chloride salt	fluorochrome
to-pro-3	[no description available]	low	0	0	cyanine dye; organic iodide salt	fluorochrome
bobo 3	[no description available]	low	0	0	cyanine dye; organic iodide salt	fluorochrome
to-pro-1	[no description available]	low	0	0	cyanine dye; organic iodide salt	fluorochrome
clomipramine	[no description available]	low	0	0	quaternary ammonium salt	fluorochrome
pacific blue succinimidyl ester	[no description available]	low	0	0	hydroxycoumarin; N-hydroxysuccinimide ester; organofluorine compound	fluorochrome
2-(5'-chloro-2'-phosphoryloxyphenyl)-6-chloro-4-(3h)-quinazolinone	[no description available]	low	0	0	aryl phosphate; monochlorobenzenes; quinazolines	fluorochrome
dy-676	[no description available]	medium	0	0	organic sodium salt	fluorochrome
anabasine	[no description available]	low	0	0	piperidine alkaloid; pyridine alkaloid	nicotinic acetylcholine receptor agonist; plant metabolite; teratogenic agent
dibutyl phthalate	[no description available]	low	0	0	diester; phthalate ester	EC 3.2.1.20 (alpha-glucosidase) inhibitor; environmental contaminant; metabolite; plasticiser; teratogenic agent
tazarotene	[no description available]	low	0	0	acetylenic compound; ethyl ester; pyridines; retinoid; thiochromane	keratolytic drug; prodrug; teratogenic agent
dimazine	[no description available]	low	0	0	hydrazines	carcinogenic agent; fuel; teratogenic agent
ethyl methanesulfonate	[no description available]	low	0	0	methanesulfonate ester	alkylating agent; antineoplastic agent; carcinogenic agent; genotoxin; mutagen; teratogenic agent
diethyl phthalate	[no description available]	low	0	0	diester; ethyl ester; phthalate ester	neurotoxin; plasticiser; teratogenic agent
diisobutyl phthalate	[no description available]	low	0	0	diester; phthalate ester	plasticiser; PPAR modulator; teratogenic agent
2-ethoxyethanol	[no description available]	low	0	0	glycol ether; primary alcohol	protic solvent; teratogenic agent
diethylene glycol monomethyl ether	[no description available]	low	0	0	diether; glycol ether; hydroxypolyether	solvent; teratogenic agent
methylnitrosourea	[no description available]	low	0	0	N-nitrosoureas	alkylating agent; carcinogenic agent; mutagen; teratogenic agent
hadacidin	[no description available]	low	0	0	aldehyde; monocarboxylic acid; N-hydroxy-alpha-amino-acid	antimicrobial agent; antineoplastic agent; Penicillium metabolite; teratogenic agent
6-n-hydroxylaminopurine	[no description available]	low	0	0	6-aminopurines; hydroxylamines; nucleobase analogue	mutagen; teratogenic agent
flubendazole	[no description available]	low	0	0	aromatic ketone; benzimidazoles; carbamate ester; organofluorine compound	antinematodal drug; teratogenic agent
l 154819	[no description available]	low	0	0	carbobicyclic compound; dihydroxy monocarboxylic acid; fatty acid ester; polyketide	Aspergillus metabolite; drug metabolite; EC 1.1.1.34/EC 1.1.1.88 (hydroxymethylglutaryl-CoA reductase) inhibitor; teratogenic agent
peptide elongation factor 2	[no description available]	low	0	0	2-(2,6-dioxopiperidin-3-yl)-1H-isoindole-1,3(2H)-dione	teratogenic agent
s 53482	[no description available]	low	0	0	benzoxazine; dicarboximide; organofluorine compound; terminal acetylenic compound	agrochemical; EC 1.3.3.4 (protoporphyrinogen oxidase) inhibitor; herbicide; teratogenic agent
2-amino-n(6)-hydroxyadenine	[no description available]	low	0	0	2,6-diaminopurines; hydroxylamines; nucleobase analogue	mutagen; teratogenic agent
agn 190299	[no description available]	low	0	0	monocarboxylic acid; pyridines; retinoid; thiochromane	keratolytic drug; teratogenic agent
ochratoxin a	[no description available]	low	0	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
ammodendrine	[no description available]	low	0	0	acetamides; N-acylpiperidine; piperidine alkaloid	plant metabolite; teratogenic agent
solasodine	[no description available]	low	0	0	alkaloid antibiotic; azaspiro compound; hemiaminal ether; oxaspiro compound; sapogenin; steroid alkaloid	anticonvulsant; antifungal agent; antiinfective agent; antioxidant; antipyretic; antispermatogenic agent; apoptosis inducer; cardiotonic drug; central nervous system depressant; diuretic; immunomodulator; plant metabolite; teratogenic agent
soraphen a	[no description available]	low	0	0	cyclic hemiketal; ether; macrolide; olefinic compound	bacterial metabolite; EC 6.4.1.2 (acetyl-CoA carboxylase) inhibitor; teratogenic agent
bms453	[no description available]	low	0	0	benzoic acids; dihydronaphthalenes; stilbenoid	retinoic acid receptor alpha antagonist; retinoic acid receptor beta agonist; retinoic acid receptor gamma antagonist; teratogenic agent
gdc 0449	[no description available]	low	0	0	benzamides; monochlorobenzenes; pyridines; sulfone	antineoplastic agent; Hedgehog signaling pathway inhibitor; SMO receptor antagonist; teratogenic agent
5-(n,n-hexamethylene)amiloride	[no description available]	low	0	0	aromatic amine; azepanes; guanidines; monocarboxylic acid amide; organochlorine compound; pyrazines	antineoplastic agent; apoptosis inducer; odorant receptor antagonist; sodium channel blocker
ethylisopropylamiloride	[no description available]	low	0	0	aromatic amine; guanidines; monocarboxylic acid amide; organochlorine compound; pyrazines; tertiary amino compound	anti-arrhythmia drug; neuroprotective agent; sodium channel blocker
pilsicainide	[no description available]	low	0	0	organic heterobicyclic compound; secondary carboxamide	anti-arrhythmia drug; sodium channel blocker
triamterene	[no description available]	low	0	0	pteridines	diuretic; sodium channel blocker
amiloride hydrochloride, anhydrous	[no description available]	low	0	0	hydrochloride	diuretic; sodium channel blocker
tocainide	[no description available]	low	0	0	monocarboxylic acid amide	anti-arrhythmia drug; local anaesthetic; sodium channel blocker
amiloride hydrochloride	[no description available]	low	0	0	hydrate	diuretic; sodium channel blocker
10-hydroxycarbamazepine	[no description available]	low	0	0	carboxamide; dibenzoazepine; ureas	anticonvulsant; drug allergen; sodium channel blocker
saxitoxin	[no description available]	low	0	0	alkaloid; carbamate ester; guanidines; ketone hydrate; paralytic shellfish toxin; pyrrolopurine	cyanotoxin; marine metabolite; neurotoxin; sodium channel blocker; toxin
meclofenamate sodium anhydrous	[no description available]	low	0	0	organic sodium salt
sodium citrate, anhydrous	[no description available]	low	0	0	organic sodium salt	anticoagulant; flavouring agent
sulfobromophthalein sodium	[no description available]	low	0	0	organic sodium salt	dye
suramin sodium	[no description available]	low	0	0	organic sodium salt	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
sodium carbonate	[no description available]	low	0	0	carbonate salt; organic sodium salt
dexamethasone sodium phosphate	[no description available]	low	0	0	organic sodium salt	glucocorticoid receptor agonist
etidronate disodium	[no description available]	low	0	0	organic sodium salt	antineoplastic agent; bone density conservation agent; chelator
sytron	[no description available]	low	0	0	iron chelate; organic sodium salt
clodronate disodium	[no description available]	low	0	0	one-carbon compound; organic sodium salt	bone density conservation agent
betamethasone sodium phosphate	[no description available]	low	0	0	organic sodium salt; tertiary alpha-hydroxy ketone
disodium alpha-sulfobenzylpenicillin	[no description available]	low	0	0	organic sodium salt
estramustine phosphate sodium	[no description available]	low	0	0	organic sodium salt
formic acid, sodium salt	[no description available]	low	0	0	organic sodium salt	astringent; buffer
sodium ethoxide	[no description available]	low	0	0	organic sodium salt	nucleophilic reagent
nabam	[no description available]	low	0	0	dithiocarbamate salt; organic sodium salt	antifungal agrochemical
diclofenac sodium	[no description available]	low	0	0	organic sodium salt
sodium butyrate	[no description available]	low	0	0	organic sodium salt	EC 3.5.1.98 (histone deacetylase) inhibitor; geroprotector
sulfacetamide sodium	[no description available]	low	0	0	hydrate; organic sodium salt	antiinfective agent; antimicrobial agent; EC 2.5.1.15 (dihydropteroate synthase) inhibitor
lasalocid sodium	[no description available]	low	0	0	benzoates; organic sodium salt	coccidiostat; ionophore
b 1287	[no description available]	low	0	0	organic sodium salt
cefotaxime sodium	[no description available]	low	0	0	organic sodium salt
l 749345	[no description available]	low	0	0	organic sodium salt	antibacterial drug
thiopental sodium	[no description available]	low	0	0	organic sodium salt	intravenous anaesthetic
rabeprazole sodium	[no description available]	low	0	0	organic sodium salt
pantoprazole sodium	[no description available]	low	0	0	organic sodium salt	anti-ulcer drug; EC 3.6.3.10 (H(+)/K(+)-exchanging ATPase) inhibitor
pravastatin sodium	[no description available]	low	0	0	organic sodium salt; statin (semi-synthetic)	anticholesteremic drug
valproate sodium	[no description available]	low	0	0	organic sodium salt	geroprotector
tazobactam sodium	[no description available]	low	0	0	organic sodium salt	antiinfective agent; antimicrobial agent; EC 3.5.2.6 (beta-lactamase) inhibitor
cilastatin sodium	[no description available]	low	0	0	organic sodium salt	EC 3.4.13.19 (membrane dipeptidase) inhibitor; protease inhibitor
beraprost sodium	[no description available]	low	0	0	organic sodium salt	anti-inflammatory agent; antihypertensive agent; platelet aggregation inhibitor; prostaglandin receptor agonist; vasodilator agent
tofisopam	[no description available]	low	0	0	organic sodium salt	antipyretic; EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor; non-narcotic analgesic; non-steroidal anti-inflammatory drug
azuletil sodium	[no description available]	low	0	0	organic sodium salt; organosulfonate salt	anti-ulcer drug; thromboxane A2 antagonist
brequinar sodium	[no description available]	low	0	0	organic sodium salt	anticoronaviral agent; antimetabolite; antineoplastic agent; antiviral agent; EC 1.3.5.2 [dihydroorotate dehydrogenase (quinone)] inhibitor; immunosuppressive agent; pyrimidine synthesis inhibitor
sri 62320	[no description available]	low	0	0	organic sodium salt; statin (synthetic)
methylprednisolone suleptanate	[no description available]	low	0	0	organic sodium salt	anti-asthmatic drug; anti-inflammatory agent; glucocorticoid receptor agonist; prodrug
ampicillin sodium	[no description available]	low	0	0	organic sodium salt
montelukast sodium	[no description available]	low	0	0	organic sodium salt
cyanotriphenylborate	[no description available]	low	0	0	organic sodium salt; tetraorganoborate salt
ahr 5850	[no description available]	low	0	0	organic sodium salt	cyclooxygenase 1 inhibitor; cyclooxygenase 2 inhibitor
cefamandole nafate	[no description available]	low	0	0	organic sodium salt	antibacterial drug; prodrug
cytomel	[no description available]	low	0	0	organic sodium salt
letter	[no description available]	low	0	0	organic sodium salt
sodium lactate	[no description available]	low	0	0	lactate salt; organic sodium salt	food acidity regulator; food preservative
cefmetazole sodium	[no description available]	low	0	0	organic sodium salt	antimicrobial agent
piperacillin sodium	[no description available]	low	0	0	organic sodium salt
methicillin sodium	[no description available]	low	0	0	organic sodium salt
dicloxacillin sodium	[no description available]	low	0	0	organic sodium salt
nafcillin sodium	[no description available]	low	0	0	organic sodium salt
sodium cholate	[no description available]	low	0	0	cholate salt; organic sodium salt
penicillin g sodium	[no description available]	low	0	0	organic sodium salt
cefamandole nafate	[no description available]	low	0	0	organic sodium salt	antibacterial drug
docusate sodium	[no description available]	low	0	0	organic sodium salt
phenobarbital sodium	[no description available]	low	0	0	barbiturates; organic sodium salt
cephapirin sodium	[no description available]	low	0	0	cephalosporin; organic sodium salt	antibacterial drug
cloxacillin sodium	[no description available]	low	0	0	organic sodium salt
sodium cephalothin	[no description available]	low	0	0	organic sodium salt
cefazolin sodium	[no description available]	low	0	0	organic sodium salt
tolmetin sodium	[no description available]	low	0	0	hydrate; organic sodium salt	EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor; non-steroidal anti-inflammatory drug
fractals	[no description available]	low	0	0	organic sodium salt; statin (synthetic)
prednisolone sodium succinate	[no description available]	low	0	0	organic sodium salt	anti-inflammatory drug
naproxen sodium	[no description available]	low	0	0	organic sodium salt	antipyretic; cyclooxygenase 1 inhibitor; cyclooxygenase 2 inhibitor; non-narcotic analgesic; non-steroidal anti-inflammatory drug
alendronate sodium	[no description available]	low	0	0	hydrate; organic sodium salt	bone density conservation agent; EC 2.5.1.1 (dimethylallyltranstransferase) inhibitor
azlocillin sodium	[no description available]	low	0	0	organic sodium salt
nafcillin sodium	[no description available]	low	0	0	hydrate; organic sodium salt
nxl 104	[no description available]	low	0	0	organic sodium salt	antibacterial drug; antimicrobial agent; EC 3.5.2.6 (beta-lactamase) inhibitor
methampicillin, monosodium salt, (2s-(2alpha,5alpha,6beta(s*)))-isomer	[no description available]	low	0	0	organic sodium salt
ssr128129e	[no description available]	low	0	0	organic sodium salt	antineoplastic agent; fibroblast growth factor receptor antagonist
8-bromocyclic gmp, sodium salt	[no description available]	low	0	0	organic sodium salt	muscle relaxant; protein kinase G agonist

Article	Year
Focused ultrasound mediated blood-brain barrier opening is safe and feasible in a murine pontine glioma model. Scientific reports, 03-22, Volume: 11, Issue: 1	2021
Exacerbation of Methamphetamine Neurotoxicity in Cold and Hot Environments: Neuroprotective Effects of an Antioxidant Compound H-290/51. Molecular neurobiology, Volume: 52, Issue: 2	2015
Assessment of ZnO and SiO2 nanoparticle permeability through and toxicity to the blood-brain barrier using Evans blue and TEM. International journal of nanomedicine, Volume: 9 Suppl 2	2014
Safety testing of blue vital dyes using cell culture models. Journal of ocular pharmacology and therapeutics : the official journal of the Association for Ocular Pharmacology and Therapeutics, Volume: 30, Issue: 5	2014
Another record of significant regional variation in toxicity of Tityus serrulatus venom in Brazil: a step towards understanding the possible role of sodium channel modulators. Toxicon : official journal of the International Society on Toxinology, Volume: 73	2013
Phytotoxicity of multi-walled carbon nanotubes on red spinach (Amaranthus tricolor L) and the role of ascorbic acid as an antioxidant. Journal of hazardous materials, Volume: 243	2012
Side effects of cyclosporine-A treatment in rats: gingival overgrowth and early hyperglycemia. Acta odontologica latinoamericana : AOL, Volume: 23, Issue: 3	2010
Comparison of the in vitro safety of intraocular dyes using two retinal cell lines: a focus on brilliant blue G and indocyanine green. American journal of ophthalmology, Volume: 147, Issue: 2	2009
Adverse effect of cyclosporin A on barrier functions of cerebral microvascular endothelial cells after hypoxia-reoxygenation damage in vitro. Cellular and molecular neurobiology, Volume: 27, Issue: 7	2007
Neurotoxic effects of exogenous recombinant tissue-type plasminogen activator on the normal rat brain. Journal of neurotrauma, Volume: 24, Issue: 4	2007
Vitamin E ameliorates adverse effects of endothelial injury in brain arterioles. The American journal of physiology, Volume: 271, Issue: 2 Pt 2	1996
Neurotoxicity of adriamycin passed through the transiently disrupted blood-brain barrier by mannitol in the rat brain. Brain research, May-26, Volume: 412, Issue: 1	1987
[information is derived through text-mining from research data collected from National Library of Medicine (NLM), extracted Dec-2023]

Article	Year
Catalase and alpha-tocopherol attenuate blood-brain barrier breakdown in pentylenetetrazole-induced epileptic seizures in acute hyperglycaemic rats. Pharmacological research, Volume: 45, Issue: 2	2002
Subchronic administration of various pretreatments of nerve agent poisoning. I. Protection of blood and central cholinesterases, innocuousness towards blood-brain barrier permeability. Drug and chemical toxicology, Volume: 24, Issue: 2	2001
Multiple nitric oxide sources in neurogenic plasma extravasation in rat hindpaw skin. Life sciences, Volume: 63, Issue: 13	1998
Chronically administered nicotine attenuates bradykinin-induced plasma extravasation and aggravates arthritis-induced joint injury in the rat. Neuroscience, Volume: 51, Issue: 3	1992
[information is derived through text-mining from research data collected from National Library of Medicine (NLM), extracted Dec-2023]

Article	Year
Study on the opening effect of eucalyptol on the blood-brain barrier and its brain pharmacokinetics. Biomedical chromatography : BMC, Volume: 37, Issue: 6	2023
Comparison of Sonication Patterns and Microbubble Administration Strategies for Focused Ultrasound-Mediated Large-Volume Drug Delivery. IEEE transactions on bio-medical engineering, Volume: 69, Issue: 11	2022
MRI of Whole Rat Brain Perivascular Network Reveals Role for Ventricles in Brain Waste Clearance. Scientific reports, 08-07, Volume: 9, Issue: 1	2019
Modeling the Evans Blue Dilution Method for the Measurement of Plasma Volume in Small Animals: A New Optimized Method. Annals of biomedical engineering, Volume: 46, Issue: 12	2018
Dynamics of Evans blue clearance from cerebrospinal fluid into meningeal lymphatic vessels and deep cervical lymph nodes. Neurological research, Volume: 40, Issue: 5	2018
From the Cover: Comparative Proteomics Reveals Silver Nanoparticles Alter Fatty Acid Metabolism and Amyloid Beta Clearance for Neuronal Apoptosis in a Triple Cell Coculture Model of the Blood-Brain Barrier. Toxicological sciences : an official journal of the Society of Toxicology, 07-01, Volume: 158, Issue: 1	2017
Microbubble gas volume: A unifying dose parameter in blood-brain barrier opening by focused ultrasound. Theranostics, Volume: 7, Issue: 1	2017
Novel "Add-On" Molecule Based on Evans Blue Confers Superior Pharmacokinetics and Transforms Drugs to Theranostic Agents. Journal of nuclear medicine : official publication, Society of Nuclear Medicine, Volume: 58, Issue: 4	2017
Relationship between Plasma Albumin Concentration and Plasma Volume in 5 Inbred Rat Strains. Journal of the American Association for Laboratory Animal Science : JAALAS, Volume: 54, Issue: 5	2015
Fiberoptic microneedle device facilitates volumetric infusate dispersion during convection-enhanced delivery in the brain. Lasers in surgery and medicine, Volume: 45, Issue: 7	2013
Graphite furnace atomic absorption spectrophotometry--a novel method to quantify blood volume in experimental models of intracerebral hemorrhage. Journal of neuroscience methods, Feb-15, Volume: 213, Issue: 1	2013
GABA receptor ameliorates ventilator-induced lung injury in rats by improving alveolar fluid clearance. Critical care (London, England), Dec-12, Volume: 16, Issue: 2	2012
Pharmacokinetics of intraosseous and central venous drug delivery during cardiopulmonary resuscitation. Resuscitation, Volume: 83, Issue: 1	2012
Clearance of albumin following ultrasound-induced blood-brain barrier opening is mediated by glial but not neuronal cells. Brain research, Sep-09, Volume: 1411	2011
Pharmacokinetics of clomipramine, an antidepressant, in poloxamer 407-induced hyperlipidaemic model rats. The Journal of pharmacy and pharmacology, Volume: 63, Issue: 4	2011
Pharmacokinetic, toxicological and phototherapeutic studies of phthalocyanine ZnPcCF3. Biomedicine & pharmacotherapy = Biomedecine & pharmacotherapie, Volume: 63, Issue: 3	2009
Small volume resuscitation with hypertonic saline is more effective in ameliorating trauma-hemorrhagic shock-induced lung injury, neutrophil activation and red blood cell dysfunction than pancreatitic protease inhibition. The Journal of trauma, Volume: 59, Issue: 2	2005
Transcutaneous fluorescence dilution cardiac output and circulating blood volume during hemorrhagic hypovolemia. Anesthesiology, Volume: 102, Issue: 4	2005
Pharmacokinetics of controlled-release polymers in the subarachnoid space after subarachnoid hemorrhage in rabbits. Journal of neurosurgery, Volume: 101, Issue: 1	2004
Distribution of intramyocardially injected extracellular MR contrast medium: effects of concentration and volume. European radiology, Volume: 14, Issue: 2	2004
Direct and indirect methods for determining plasma volume during thermoneutral and cold-water immersion. European journal of applied physiology, Volume: 89, Issue: 5	2003
The blood volumes of the primary and secondary circulatory system in the Atlantic cod Gadus morhua L, using plasma bound Evans Blue and compartmental analysis. The Journal of experimental biology, Volume: 206, Issue: Pt 3	2003
Plasma volume by Evans blue: effects of eating and comparison with other methods at altitude. Aviation, space, and environmental medicine, Volume: 73, Issue: 9	2002
Determination of plasma volume in anaesthetized piglets using the carbon monoxide (CO) method. Laboratory animals, Volume: 36, Issue: 3	2002
The dynamics of vascular volume and fluid shifts of lactated Ringer's solution and hypertonic-saline-dextran solutions infused in normovolemic sheep. Anesthesia and analgesia, Volume: 93, Issue: 4	2001
Estimations of changes in plasma volume during simulated weightlessness. Journal of gravitational physiology : a journal of the International Society for Gravitational Physiology, Volume: 2, Issue: 1	1995
Determination of total blood volume by indicator dilution: a comparison of mean transit time and mass conservation principle. Intensive care medicine, Volume: 27, Issue: 4	2001
Microvascular permeability of human melanoma xenografts to macromolecules: relationships to tumor volumetric growth rate, tumor angiogenesis, and VEGF expression. Microvascular research, Volume: 61, Issue: 2	2001
Macromolecule uptake in human melanoma xenografts. relationships to blood supply, vascular density, microvessel permeability and extracellular volume fraction. European journal of cancer (Oxford, England : 1990), Volume: 36, Issue: 11	2000
Determination of intracranial tumor volumes in a rodent brain using magnetic resonance imaging, Evans blue, and histology: a comparative study. IEEE transactions on bio-medical engineering, Volume: 47, Issue: 2	2000
Pressure and volume overloads are associated with ventricular hypertrophy in male rainbow trout. The American journal of physiology, Volume: 277, Issue: 4	1999
Plasma volume changes during and after acute variations of body hydration level in humans. European journal of applied physiology and occupational physiology, Volume: 80, Issue: 1	1999
Comparison of total blood volume in normal, preeclamptic, and nonproteinuric gestational hypertensive pregnancy by simultaneous measurement of red blood cell and plasma volumes. American journal of obstetrics and gynecology, Volume: 179, Issue: 1	1998
Estimation of plasma volume in Holstein and Jersey calves. Journal of dairy science, Volume: 81, Issue: 5	1998
Plasma volume in acute hypoxia: comparison of a carbon monoxide rebreathing method and dye dilution with Evans' blue. European journal of applied physiology and occupational physiology, Volume: 77, Issue: 5	1998
Measurement of liver blood volume using a macromolecular MRI contrast agent at equilibrium. Magnetic resonance imaging, Volume: 15, Issue: 4	1997
Blood volume and cardiac index in rats after exchange transfusion with hemoglobin-based oxygen carriers. Journal of applied physiology (Bethesda, Md. : 1985), Volume: 82, Issue: 6	1997
An accurate method of plasma volume measurement by direct analysis of Evans blue spectra in plasma without dye extraction: origins of albumin-space variations during maximal exercise. European journal of applied physiology and occupational physiology, Volume: 75, Issue: 1	1997
Pharmacokinetic analysis of drug disposition after intratumoral injection in a tissue-isolated tumor perfusion system. Pharmaceutical research, Volume: 13, Issue: 10	1996
Re-evaluation of Evans blue dye dilution method of plasma volume measurement. Clinical and laboratory haematology, Volume: 17, Issue: 2	1995
Uterine extracellular fluid volume and blood flow after artificial uterine stimulation to rats differentially sensitized for the decidual cell reaction. Biology of reproduction, Volume: 48, Issue: 4	1993
Evaluation of effects of PAF on alveolar fluid clearance with use of NMR imaging. Journal of applied physiology (Bethesda, Md. : 1985), Volume: 75, Issue: 5	1993
Physiological pharmacokinetics of solutes in the isolated perfused rat hindlimb: characterization of the physiology with changing perfusate flow, protein content, and temperature using statistical moment analysis. Journal of pharmacokinetics and biopharmaceutics, Volume: 21, Issue: 6	1993
Effects of electrical stimulation on lymphatic flow and limb volume in the rat. Physical therapy, Volume: 74, Issue: 11	1994
Accuracy and reproducibility of the measurement of actively circulating blood volume with an integrated fiberoptic monitoring system. Critical care medicine, Volume: 23, Issue: 5	1995
Body fluid volumes in the spontaneously hypertensive rat. Clinical science (London, England : 1979), Volume: 61, Issue: 6	1981
An improved method for the determination of the plasma volume with Evans Blue. Journal of clinical chemistry and clinical biochemistry. Zeitschrift fur klinische Chemie und klinische Biochemie, Volume: 19, Issue: 9	1981
[Changes in plasma volume during and after middle-ear procedures (author's transl)]. Der Anaesthesist, Volume: 30, Issue: 9	1981
Dynamics of formation and resolution of vasogenic brain oedema. I. Measurement of oedema clearance into ventricular CSF. Acta neurochirurgica, Volume: 57, Issue: 1-2	1981
[Wider potentials for determining the circulating blood volume in clinical practice]. Vestnik khirurgii imeni I. I. Grekova, Volume: 135, Issue: 12	1985
Plasmodium berghei: the influence of blood volume changes on the malaria-induced anemia in Balb/C mice. Zeitschrift fur Parasitenkunde (Berlin, Germany), Volume: 71, Issue: 3	1985
Plasma volume determination in normal and preeclamptic pregnancies. American journal of obstetrics and gynecology, Apr-01, Volume: 151, Issue: 7	1985
Determination of plasma volume in swine by the enzyme-dilution method. The American journal of physiology, Volume: 252, Issue: 5 Pt 2	1987
[Determination of plasma volume with indocyanine green]. Der Anaesthesist, Volume: 36, Issue: 11	1987
Treatment with an LHRH agonist or hCG increases interstitial fluid volume and permeability to Evans blue in the mouse testis. International journal of andrology, Volume: 11, Issue: 5	1988
Fluid volumes in rainbow trout, Salmo gairdneri: application of compartmental analysis. Comparative biochemistry and physiology. A, Comparative physiology, Volume: 87, Issue: 3	1987
Heterologous serum albumin as tracer for plasma volume measurements evaluated in conscious nondehydrated and 48-hour water-deprived rats. Journal of cardiovascular pharmacology, Volume: 13, Issue: 4	1989
Repeated plasma volume determination with the Evans Blue dye dilution technique: the method and a computer program. Computers in biology and medicine, Volume: 21, Issue: 1-2	1991
Blood and plasma volumes determined by carbon monoxide gas, 99mTc-labelled erythrocytes, 125I-albumin and the T 1824 technique. Scandinavian journal of clinical and laboratory investigation, Volume: 51, Issue: 2	1991
Effect of short-term muscle relaxation on neonatal plasma volume. Critical care medicine, Volume: 19, Issue: 11	1991
[The determination of the volume of circulating plasma using the indicator T-1824]. Laboratornoe delo, Issue: 11	1990
Evans blue dye as a marker of albumin clearance in cultured endothelial monolayer and isolated lung. Journal of applied physiology (Bethesda, Md. : 1985), Volume: 72, Issue: 3	1992
Tracheal blood flow and luminal clearance of 99mTc-DTPA in sheep. Journal of applied physiology (Bethesda, Md. : 1985), Volume: 73, Issue: 4	1992
Plasma and extracellular volume in calves: comparison between isotopic and 'cold' techniques. Research in veterinary science, Volume: 53, Issue: 2	1992
Plasma volume, fluid shifts, and renal responses in humans during 12 h of head-out water immersion. Journal of applied physiology (Bethesda, Md. : 1985), Volume: 73, Issue: 2	1992
Measurement of plasma volume in pregnancy. Clinical science (London, England : 1979), Volume: 83, Issue: 1	1992
[Methods of calculation of functional volumes of the heart ventricle]. Kardiologiia, Volume: 15, Issue: 6	1975
Plasma volume measurements in sheep using Evans' blue and continuous blood sampling. Research in veterinary science, Volume: 21, Issue: 1	1976
Plasma volume estimation in severely ill infants and children using a simplified Evans blue method. European journal of pediatrics, Jun-01, Volume: 125, Issue: 2	1977
Efficacy of high volume low pressure cuffs in preventing aspiration. Anaesthesia and intensive care, Volume: 5, Issue: 2	1977
Plasma volume in isosmotic hypervolaemia. Acta physiologica Academiae Scientiarum Hungaricae, Volume: 52, Issue: 1	1978
Plasma volume and extracellular fluid volume in horses at rest and following exercise. American journal of veterinary research, Volume: 39, Issue: 5	1978
Plasma volume shifts during moderate exercise in splenectomized greyhounds. The Journal of physiology, Volume: 292	1979
Plasma volume during stress in man: osmolality and red cell volume. Journal of applied physiology: respiratory, environmental and exercise physiology, Volume: 47, Issue: 5	1979
[information is derived through text-mining from research data collected from National Library of Medicine (NLM), extracted Dec-2023]

Article	Year
A High-Throughput Screen of a Library of Therapeutics Identifies Cytotoxic Substrates of P-glycoprotein. Molecular pharmacology, Volume: 96, Issue: 5	2019
The inhibitory effect of S-nitrosoglutathione on blood-brain barrier disruption and peroxynitrite formation in a rat model of experimental stroke. Journal of neurochemistry, Volume: 123 Suppl 2	2012
Enhanced efficacy of triprolidine by transdermal application of the EVA matrix system in rabbits and rats. European journal of pharmaceutics and biopharmaceutics : official journal of Arbeitsgemeinschaft fur Pharmazeutische Verfahrenstechnik e.V, Volume: 61, Issue: 1-2	2005
Blood-brain barrier and electromagnetic fields: effects of scopolamine methylbromide on working memory after whole-body exposure to 2.45 GHz microwaves in rats. Behavioural brain research, Jun-20, Volume: 161, Issue: 2	2005
Effect of inflammation on the delivery of drugs to dental pulp. Journal of endodontics, Volume: 24, Issue: 12	1998
Effect of absorption promoters on subcutaneous absorption of human epidermal growth factor in rats. Journal of pharmaceutical sciences, Volume: 82, Issue: 3	1993
Fluid uptake from the renal medulla into the ascending vasa recta in anaesthetized rats. The Journal of physiology, Aug-15, Volume: 487, Issue: 1	1995
Studies on microwave and blood-brain barrier interaction. Bioelectromagnetics, Volume: 1, Issue: 3	1980
Vaginal absorption of a potent luteinizing hormone-releasing hormone analog (leuprolide) in rats I: absorption by various routes and absorption enhancement. Journal of pharmaceutical sciences, Volume: 71, Issue: 12	1982
Vaginal absorption of a potent luteinizing hormone-releasing hormone analogue (leuprolide) in rats II: mechanism of absorption enhancement with organic acids. Journal of pharmaceutical sciences, Volume: 72, Issue: 1	1983
Characterization of mitomycin C-induced gastrointestinal damage: changes in the gastric absorption of drugs in rats. The Journal of pharmacy and pharmacology, Volume: 38, Issue: 9	1986
[information is derived through text-mining from research data collected from National Library of Medicine (NLM), extracted Dec-2023]

Article	Year
Microbubble gas volume: A unifying dose parameter in blood-brain barrier opening by focused ultrasound. Theranostics, Volume: 7, Issue: 1	2017
Fluorescence imaging of Evans blue extravasation into mouse brain induced by low frequency ultrasound with microbubble. Bio-medical materials and engineering, Volume: 24, Issue: 6	2014
The anti-inflammatory effect of donepezil on experimental autoimmune encephalomyelitis in C57 BL/6 mice. Neuropharmacology, Volume: 73	2013
Efficiency of drug delivery enhanced by acoustic pressure during blood-brain barrier disruption induced by focused ultrasound. International journal of nanomedicine, Volume: 7	2012
Pharmacokinetics of clomipramine, an antidepressant, in poloxamer 407-induced hyperlipidaemic model rats. The Journal of pharmacy and pharmacology, Volume: 63, Issue: 4	2011
Inconsistent blood brain barrier disruption by intraarterial mannitol in rabbits: implications for chemotherapy. Journal of neuro-oncology, Volume: 104, Issue: 1	2011
Anisotropic diffusion deviates chicken embryo chorioallantoic membrane assay (CAM) to reflect inherent therapeutic behaviors. Colloids and surfaces. B, Biointerfaces, Apr-01, Volume: 70, Issue: 1	2009
NMDA receptor antagonist felbamate reduces behavioral deficits and blood-brain barrier permeability changes after experimental subarachnoid hemorrhage in the rat. Journal of neurotrauma, Volume: 24, Issue: 4	2007
Enalapril increases the local extravasation of macromolecules and nitric oxide synthase in pancreas of the fructose-fed insulin-resistant rat model. Pancreas, Volume: 33, Issue: 4	2006
Anti-angiogenic effects of Hypericin-photodynamic therapy in combination with Celebrex in the treatment of human nasopharyngeal carcinoma. International journal of molecular medicine, Volume: 16, Issue: 6	2005
The influence of agent delivery mode on cardiomyocyte injury induced by myocardial contrast echocardiography in rats. Ultrasound in medicine & biology, Volume: 31, Issue: 9	2005
A vibrator prevents streaming during close-arterial infusion into the kidney. American journal of physiology. Renal physiology, Volume: 286, Issue: 4	2004
A fluorescence-based method to assess plasma protein extravasation in rat dura mater using confocal laser scanning microscopy. Brain research. Brain research protocols, Volume: 12, Issue: 2	2003
Impact of myocardial contrast echocardiography on vascular permeability: an in vivo dose response study of delivery mode, pressure amplitude and contrast dose. Ultrasound in medicine & biology, Volume: 29, Issue: 9	2003
Tracking the tissue distribution of marker dye following intranasal delivery in mice and chinchillas: a multifactorial analysis of parameters affecting nasal retention. Vaccine, Aug-19, Volume: 20, Issue: 25-26	2002
Optison (FS069) disrupts the blood-brain barrier in rats. Anesthesia and analgesia, Volume: 91, Issue: 4	2000
Methylprednisolone prevents the development of autotomy and neuropathic edema in rats, but has no effect on nociceptive thresholds. Pain, Volume: 80, Issue: 3	1999
Differential modulation of AMPA receptor mediated currents by evans blue in postnatal rat hippocampal neurones. British journal of pharmacology, Volume: 121, Issue: 2	1997
Pharmacokinetic analysis of drug disposition after intratumoral injection in a tissue-isolated tumor perfusion system. Pharmaceutical research, Volume: 13, Issue: 10	1996
Sympathetic-dependence in bradykinin-induced synovial plasma extravasation is dose-related. Neuroscience letters, Mar-01, Volume: 205, Issue: 3	1996
Characterization of vascular P2 purinoceptors in the rat isolated perfused kidney. European journal of pharmacology, Jun-13, Volume: 306, Issue: 1-3	1996
Differential sensitivity of mouse strains to platelet activating factor-induced vasopermeability and mortality: effect of antagonists. Journal of lipid mediators, Volume: 8, Issue: 3	1993
Evan's blue dye blocks capsaicin-induced cough and bronchospasm in the guinea pig. European journal of pharmacology, Mar-24, Volume: 276, Issue: 1-2	1995
Actions of endothelins and sarafotoxin 6c in the rat isolated perfused lung. British journal of pharmacology, Volume: 115, Issue: 4	1995
Vaginal absorption of a potent luteinizing hormone-releasing hormone analog (leuprolide) in rats I: absorption by various routes and absorption enhancement. Journal of pharmaceutical sciences, Volume: 71, Issue: 12	1982
Inhibition of protein exudation from the trachea by corticotropin-releasing factor. European journal of pharmacology, Aug-04, Volume: 140, Issue: 1	1987
Protective effect of phenytoin and its enhanced action by combined administration with mannitol and vitamin E in cerebral ischaemia. Acta neurochirurgica, Volume: 88, Issue: 1-2	1987
Acute exposure to cigarette smoke induces airway hyperresponsiveness without airway inflammation in guinea pigs. Dose-response characteristics. The American review of respiratory disease, Volume: 142, Issue: 1	1990
The effect of platelet-activating factor (PAF), histamine, and ethanol on vascular permeability of the guinea pig conjunctiva. Investigative ophthalmology & visual science, Volume: 31, Issue: 5	1990
Development of an orofacial model of acute inflammation in the rat. Archives of oral biology, Volume: 37, Issue: 5	1992
Calcitonin gene-related peptide potentiates substance P-induced plasma extravasation in the rat trachea. Lung, Volume: 170, Issue: 2	1992
[information is derived through text-mining from research data collected from National Library of Medicine (NLM), extracted Dec-2023]

evans blue

Description

Cross-References

Synonyms (75)

Research Excerpts

Overview

Effects

Treatment

Roles (4)

Drug Classes (1)

Protein Targets (20)

Potency Measurements

Inhibition Measurements

Activation Measurements

Other Measurements

Biological Processes (141)

Molecular Functions (64)

Ceullar Components (43)

Bioassays (64)

Research

Studies (2,025)

Study Types

Research Highlights

Safety/Toxicity (12)

Long-term Use (4)

Pharmacokinetics (78)

Bioavailability (11)

Dosage (34)

Interactions (3)

Article	Year
Biosynthetic Gas Vesicles Combined with Focused Ultrasound for Blood-Brain Barrier Opening. International journal of nanomedicine, Volume: 17	2022
The role of caveolin-1 in blood-brain barrier disruption induced by focused ultrasound combined with microbubbles. Journal of molecular neuroscience : MN, Volume: 46, Issue: 3	2012
Anti-angiogenic effects of Hypericin-photodynamic therapy in combination with Celebrex in the treatment of human nasopharyngeal carcinoma. International journal of molecular medicine, Volume: 16, Issue: 6	2005
[information is derived through text-mining from research data collected from National Library of Medicine (NLM), extracted Dec-2023]

evans blue

Description

Cross-References

Synonyms (75)

Research Excerpts

Overview

Effects

Treatment

Roles (4)

Drug Classes (1)

Protein Targets (20)

Potency Measurements

Inhibition Measurements

Activation Measurements

Other Measurements

Biological Processes (141)

Molecular Functions (64)

Ceullar Components (43)

Bioassays (64)

Research

Studies (2,025)

Study Types

Related Drugs (2,217)

Related Conditions (2,658)

Research Highlights

Safety/Toxicity (12)

Long-term Use (4)

Pharmacokinetics (78)

Bioavailability (11)

Dosage (34)

Interactions (3)