bicuculline profile

Bicuculline: An isoquinoline alkaloid obtained from Dicentra cucullaria and other plants. It is a competitive antagonist for GABA-A receptors. [Medical Subject Headings (MeSH), National Library of Medicine, extracted Dec-2023]

bicuculline : A benzylisoquinoline alkaloid that is 6-methyl-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinoline which is substituted at the 5-pro-S position by a (6R)-8-oxo-6,8-dihydrofuro[3,4-e][1,3]benzodioxol-6-yl group. A light-sensitive competitive antagonist of GABAA receptors. It was originally identified in 1932 in plant alkaloid extracts and has been isolated from Dicentra cucullaria, Adlumia fungosa, Fumariaceae, and several Corydalis species. [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]

Related Flora

Flora	Rank	Flora Definition	Family	Family Definition
Corydalis	genus	A plant genus of the family FUMARIACEAE (classified by some in PAPAVERACEAE) that contains isoquinoline alkaloids.[MeSH]	Papaveraceae	The poppy plant family of the order Papaverales, subclass Magnoliidae, class Magnoliopsida. These have bisexual, regular, cup-shaped flowers with one superior pistil and many stamens; 2 or 3 conspicuous, separate sepals and a number of separate petals. The fruit is a capsule. Leaves are usually deeply cut or divided into leaflets.[MeSH]
Adlumia	genus	[no description available]	Papaveraceae	The poppy plant family of the order Papaverales, subclass Magnoliidae, class Magnoliopsida. These have bisexual, regular, cup-shaped flowers with one superior pistil and many stamens; 2 or 3 conspicuous, separate sepals and a number of separate petals. The fruit is a capsule. Leaves are usually deeply cut or divided into leaflets.[MeSH]
Cucullaria	genus	[no description available]	Vochysiaceae	[no description available]
Dicentra	genus	A genus of herbaceous plants with asymmetrically-shaped flowers and finely divided leaves, native to east Asia and North America.[MeSH]	Papaveraceae	The poppy plant family of the order Papaverales, subclass Magnoliidae, class Magnoliopsida. These have bisexual, regular, cup-shaped flowers with one superior pistil and many stamens; 2 or 3 conspicuous, separate sepals and a number of separate petals. The fruit is a capsule. Leaves are usually deeply cut or divided into leaflets.[MeSH]
Adlumia fungosa	species	[no description available]	Papaveraceae	The poppy plant family of the order Papaverales, subclass Magnoliidae, class Magnoliopsida. These have bisexual, regular, cup-shaped flowers with one superior pistil and many stamens; 2 or 3 conspicuous, separate sepals and a number of separate petals. The fruit is a capsule. Leaves are usually deeply cut or divided into leaflets.[MeSH]
Dicentra cucullaria	species	[no description available]	Papaveraceae	The poppy plant family of the order Papaverales, subclass Magnoliidae, class Magnoliopsida. These have bisexual, regular, cup-shaped flowers with one superior pistil and many stamens; 2 or 3 conspicuous, separate sepals and a number of separate petals. The fruit is a capsule. Leaves are usually deeply cut or divided into leaflets.[MeSH]

ID Source	ID
PubMed CID	10237
CHEMBL ID	417990
CHEBI ID	3092
SCHEMBL ID	8222
MeSH ID	M0002466

Synonym
smr001233241
MLS002153892
HMS3266A07
gtpl2312
(6r)-6-[(5s)-6-methyl-7,8-dihydro-5h-[1,3]dioxolo[4,5-g]isoquinolin-5-yl]-6h-furo[4,3-g][1,3]benzodioxol-8-one
nsc-32192
wln: t c566 do fo kn eh&&tj k1 j- et b565 cvo jo lo eh khj
NSC32192 ,
d-bicuculline
furo[3,3-benzodioxol-8(6h)-one, 6-(5,6,7,8-tetrahydro-6-methyl-1,3-dioxolo[4,5-g]isoquinolin-5-yl)-, [r-(r,s)]-
bicculine
(+)-bicuculline
KBIO1_000609
DIVK1C_000609
PDSP2_000138
BPBIO1_000482
nsc 32192
brn 0098786
furo(3,4-e)-1,3-benzodioxol-8(6h)-one, 6-(5,6,7,8-tetrahydro-6-methyl-1,3-dioxolo(4,5-g)isoquinolin-5-yl)-, (r-(r,s))-
einecs 207-619-7
bicucullin
PRESTWICK_96
PRESTWICK2_000589
BIOMOL-NT_000252
PRESTWICK3_000589
BSPBIO_000438
485-49-4
bicuculline
C09364
NINDS_000609
PRESTWICK0_000589
SPBIO_002657
PRESTWICK1_000589
LOPAC0_000234
BPBIO1_000794
IDI1_000609
(6r)-6-[(5s)-6-methyl-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinolin-5-yl]furo[3,4-e][1,3]benzodioxol-8(6h)-one
B-2400
B 9130
(6r)-6-[(5s)-6-methyl-7,8-dihydro-5h-[1,3]dioxolo[4,5-g]isoquinolin-5-yl]-6h-furo[3,4-g][1,3]benzodioxol-8-one
CHEMBL417990 ,
HMS501O11
HMS1569F20
bdbm50000693
(bicuculline) 6-methyl-5-(8-oxo-6,8-dihydro-furo[3'',4'':3,4]benzo[1,2-d][1,3]dioxol-6-yl)-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinolin-6-ium
6-(6-methyl-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)-6h-furo[3'',4'':3,4]benzo[1,2-d][1,3]dioxol-8-one
(r)-6-((s)-6-methyl-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)-6h-furo[3'',4'':3,4]benzo[1,2-d][1,3]dioxol-8-one
6-(6-methyl-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)-6h-furo[3'',4'':3,4]benzo[1,2-d][1,3]dioxol-8-one(bicuculline)
6-(6-methyl-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)-6h-furo[3'',4'':3,4]benzo[1,2-d][1,3]dioxol-8-one (bicuculline)
bicuculline,(+)
(r)-6-((s)-6-methyl-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)isobenzofuro[5,4-d][1,3]dioxol-8(6h)-one
CHEBI:3092 ,
HMS2096F20
(6r)-6-((5s)-6-methyl(5,6,7,8-tetrahydro-2h-1,3-dioxolano[4,5-g]isoquinolin-5- yl))-6-hydro-2h-1,3-dioxoleno[4,5-e]isobenzofuran-8-one
B1890 ,
CCG-204329
HMS2235H18
furo(3,4-e)-1,3-benzodioxol-8(6h)-one, 6-((5s)-5,6,7,8-tetrahydro-6-methyl-1,3-dioxolo(4,5-g)isoquinolin-5-yl)-, (6r)-
y37615dvkc ,
unii-y37615dvkc
4-27-00-06900 (beilstein handbook reference)
(6r)-6-[(5s)-5,6,7,8-tetrahydro-6-methyl-1,3-dioxolo[4,5-g]lisoquinolin-5-yl]furo[3,4-e]-1,3-benzodioxol-8(6h)-one
furo[3,4-e]-1,3-benzodioxol-8(6h)-one, 6-[(5s)-5,6,7,8-tetrahydro-6-methyl-1,3-dioxolo[4,5-g]isoquinolin-5-yl]-, (6r)-
S7071
SCHEMBL8222
bicuculline [mi]
(6r)-6-((5s)-6-methyl-5,6,7,8-tetrahydro(1,3)dioxolo(4,5-g)isoquinolin-5-yl)furo(3,4-e)(1,3benzodioxol-8(6h)-one
DTXSID3042687
AKOS024282673
[r-(r,s)]-6-(5,6,7,8-tetrahydro-6-methyl-1,3-dioxolo[4,5-g]isoquinolin-5-yl)furo[3,4-e]-1,3-benzodioxol-8(6h)-one
HB0896
[r-(r,s)]-6-(5,6,7,8-tetrahydro-6 -methyl-1,3-dioxolo[4,5-g]isoquinolin-5-yl)furo[3, 4-e]-1,3-benzodioxol-8(6h)-one
AC-31293
mfcd00005006
CS-5493
HY-N0219
(+)-bicuculline, 98%
(+)-bicuculline, >=97.0% (tlc)
HMS3652N20
SR-01000075252-1
sr-01000075252
SR-01000075252-4
SR-01000075252-5
NCGC00017385-06
(r)-6-((s)-6-methyl-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)-[1,3]dioxolo[4,5-e]isobenzofuran-8(6h)-one
SW196408-2
DB11562
H0Z ,
BCP04180
Q3639734
HMS3678D19
AS-17471
HMS3414D19
HMS3886N09
bicuculline-(+)
BB164251
(+)-bicuculline- bio-x

Excerpt	Reference
"If bicuculline was assumed to be a pure non-competitive antagonist, then the observed depression of the GABA curves at high GABA concentrations was underestimated."	( Constanti, A; Smart, TG, 1981)
"Bicuculline is an antagonist of gamma-aminobutyric acid (GABA) receptors, and muscimol is an agonist of GABA receptors. "	( Mori, N; Watanabe, M, 1994)

Excerpt	Reference
"Bicuculline methiodide has been shown to block mutual inhibition between these interneurons and to cause them to spike tonically while recorded intracellularly (Schmidt and Calabrese, 1992)."	( Calabrese, RL; Cymbalyuk, GS; Gaudry, Q; Masino, MA, 2002)
"Bicuculline has been applied electrophoretically from a fluid filled microelectrode at different depths within the primary somatosensory area of the cerebral cortex of rats anaesthetized with urethane. "	( Campbell, AM; Holmes, O, 1984)
"Bicuculline alone has little or no influence on [35S]TBPS binding in the cerebral cortex, hippocampus, and cerebellum, but produces a dose-dependent enhancement of [35S]TBPS binding in the striatum, midbrain, and hypothalamus."	( Snowman, AM; Snyder, SH; Trifiletti, RR, 1984)
"Bicuculline alone has produced antinociception in the second phase and CGP35348 alone has had antinociception in both phases of the formalin test."	( Mahmoudi, M; Zarrindast, MR, 2002)

Excerpt	Reference
"Bicuculline led to an increase in the firing rate and a change in the firing pattern of GPe neurons."	( Bar-Gad, I; Belelovsky, K; Bronfeld, M; Bugaysen, J; Erez, Y; Korngreen, A, 2010)
"Bicuculline alone did not produce an intrinsic effect in the paw-pressure test."	( Bosković, B; Kocev, N; Prostran, MS; Stepanović-Petrović, RM; Tomić, MA; Ugresić, ND; Vucković, SM, 2008)
"The bicuculline produced an increase in both the visually evoked and the spontaneous unit activity."	( Chattha, AS; Fromm, GH; Glass, JD, 1980)
"(+)-Bicuculline was used to suppress bicuculline sensitive GABA binding."	( Rägo, LK; Zarkovsky, AM, 1983)
"Bicuculline prevented the increase in GABA levels induced by ether stress in both areas."	( Acosta, GB; Rubio, MC, 1994)
"Bicuculline did not increase blood pressure in 6-OHDA treated rats; thus the blood-brain barrier remained intact."	( Johansson, BB, 1979)
"Bicuculline may disinhibit GABAergic efferents to the ventral pallidum resulting in a dramatic increase in glucose use within striatopallidal synaptic terminals as well as in local terminals of the pallidal projection neurons."	( Churchill, L; Cross, RS; Heimer, L; Kalivas, PW; Nelson, SR; Pazdernik, TL; Zahm, DS, 1992)
"Bicuculline led to an increase in the size, duration, cortical extent, and, surprisingly, the latency of the evoked responses."	( Cohen, LB; London, JA; Wu, JY, 1989)

Excerpt	Reference
"Bicuculline treatment significantly reduced demyelination extension and increased the level of MBP expression."	( Afghani, A; Ashrafpour, M; Ashrafpour, S; Dehghan, S; Ebrahim Tabar, F; Gol, M; Mousavi Majd, A; Pourabdolhossein, F, 2018)
"Bicuculline pretreatment blocked D-AP5-induced anxiolytic-like behaviors and contradicted its effect on avoidance memory."	( Farahizadeh, M; Nasehi, M; Zarrabian, S; Zarrindast, MR, 2016)
"Bicuculline treatment also leads to an increase in the levels of the transcriptional repressor MeCP2, which binds to the GluR2 promoter along with the corepressors HDAC1 and mSin3A."	( Ghosh, A; Lieberman, DN; Liu, XY; Qiu, Z; Sylwestrak, EL; Zhang, Y, 2012)
"Bicuculline pretreatment reduced SKF38393- and/or progesterone-mediated increases in lordosis of E2-primed hamsters."	( Frye, CA; Petralia, SM; Walf, AA, 2006)
"Bicuculline treatment of pentobarbital-anesthetized rats (n = 5) restores small pressor responses to subfornical organ stimulation (t test, p < 0.05), suggesting that potentiated GABA inhibition underlies this modified state under pentobarbital anesthesia."	( Ferguson, AV; Loucks, C, 1994)
"In bicuculline-treated arthritic animals in which joint inflammation was minimal, concentrations of ASP and GLU did not increase above base line."	( Sluka, KA; Westlund, KN; Willis, WD, 1994)
"Bicuculline treatment led to a disorganized distribution of GnRH cells in the forebrain and a concomitant dissociation of GnRH cells from fibers of guidance."	( Bless, EP; Schwarting, GA; Tobet, SA; Westaway, WA, 2000)
"Bicuculline treatment induced tonic/clonic seizures and status epilepticus in sham operated animals; these effects were drastically diminished at various time points after BCCA."	( Block, F; Heim, C; Sieklucka, M; Sontag, KH, 1992)
"5. Bicuculline, and pretreatment with GABA or (+/-)-baclofen had no effect on the NANC-evoked relaxations to electrical stimulation and acetylcholine."	( Boeckxstaens, GE; Herman, AG; Pelckmans, PA; Rampart, M; Ruytjens, IF; Van Maercke, YM; Verbeuren, TJ, 1990)
"Bicuculline pretreatment, however, did not alter the basal secretion of TSH in either the normal or the uremic animals, and it also did not augment the TRH-stimulated TSH response in the normal animals."	( Ansari, MA; Elias, AN; Iyer, K; Pandian, MR; Vaziri, ND, 1987)
"Treatment with bicuculline, a GABAA receptor antagonist, decreased DHHC9 expression in somatostatin-positive interneurons and membrane localization of an H-Ras reporter in a manner that depended on miR-134."	( Cambronne, XA; Chai, S; Eichhorn, SW; Goodman, RH, 2013)
"Treatment with bicuculline normalized GABAergic tone and restored the increase in cGMP that was induced by activation of N-methyl-D-aspartate receptors and learning ability in hyperammonemic rats."	( Agusti, A; Cauli, O; Felipo, V; Mansouri, MT, 2009)
"Treatment with bicuculline to decrease GABA(A) receptor signaling from embryonic day (E) 10 to E17 resulted in fewer cells containing immunoreactive (ir) ERalpha in the region of the PVN vs."	( McClellan, KM; Stratton, MS; Tobet, SA, 2010)
"Treatment with bicuculline, which is an antagonist of the gamma-aminobutyric acid A (GABA(A)) receptor, increased the BOLD signal intensity in the regions that had shown decreases in the BOLD signal after the IG infusion of 10% ethanol solution, but it did not affect the BOLD signal increase in the hypothalamus."	( Torii, K; Tsurugizawa, T; Uematsu, A; Uneyama, H, 2010)
"Treatment with bicuculline or gabazine to enhance neuronal activity promotes recruitment of wild-type 4GII, but not the 4GII S1156A mutant or 4GI, to the heterotrimeric eIF4F (4F) complex that assembles at the 5' cap structure (m⁷GTP) of mRNA to initiate ribosomal scanning."	( Edelman, AM; Fortin, DA; Kaech, S; Nygaard, S; Soderling, TR; Sonenberg, N; Srivastava, T, 2012)
"Treatment with bicuculline and 4-aminopyridine (Bic + 4-AP), which induced burst firing, inhibited metabotropic-induced suppression of excitation (MSE) and prolonged the duration of depolarization-induced suppression of excitation (DSE)."	( Krogh, KA; Li, Y; Thayer, SA, 2012)
"Pretreatment with bicuculline (3 mg/kg IP) significantly attenuated the intensity of circling behavior induced by intranigral injections of GABA or muscimol."	( Kaakkola, S; Kääriäinen, I, 1980)
"Pretreatment with bicuculline (3 mg/kg i.p.) significantly attenuated the intensity of the circling behaviour induced by intranigral baclofen but failed to prevent it completely."	( Kaakkola, S, 1980)
"Pretreatment with bicuculline (3 mg/kg intraperitoneally) or strychnine (0.25 mg/kg intraperitoneally) significantly inhibited the taurine-induced circling."	( Kaakkola, S; Kääriäinen, I, 1980)
"Pretreatment with bicuculline (0.3 mg/kg, i.v.), a GABA antagonist, or semicarbazide (200 mg/kg, i.v.), an inhibitor of GABA synthesis, accelerated the recovery of PSR potentials after the removal of the arterial occlusion."	( Moriya, H; Murayama, S; Nakaya, H; Nemoto, T; Okamoto, Y; Sekikawa, T; Suzuki, T, 1995)
"Pretreatment with bicuculline (30 micrograms kg-1; i.p.), a GABAA antagonist, but not phaclofen (1 mg kg-1) a GABAB antagonist, reversed the effect of valproate and increased c-fos positive cells within lamina I, IIo."	( Ayata, G; Cutrer, FM; Limmroth, V; Moskowitz, MA, 1995)
"Pretreatment with bicuculline and flumazenil were effective in ameliorating the memory deficits caused by diazepam, and consolidated memory function in saline-treated controls following strong and weak aversant training."	( Crowe, SF; Farkas, L, 2000)
"Pretreatment with bicuculline at 0.5, 1, and 2.5 pmol reduced the sedative action of GABA on locomotor activity by 10, 20, and 41%, respectively."	( Abraini, JH; Balon, N; David, HN; Rostain, JC, 2001)
"Pretreatment with bicuculline (GABAA antagonist) turned them to relaxation."	( Fujita, S; Kusunoki, M; Sakanoue, Y; Shoji, Y; Utsunomiya, J; Yamamura, T; Yanagi, H, 1991)
"Pretreatment with bicuculline (68 pmol) blocked the suppressive effects of muscimol (12 pmol) upon affective defense behavior."	( Shaikh, MB; Siegel, A, 1990)
"Pretreatment with bicuculline, a GABAA-receptor antagonist, in the doses of 1 and 3 mg/kg, subcutaneously, had no influence on the gastric acid response to baclofen."	( Goto, Y; Hara, N; Hara, Y, 1990)
"Treatment with bicuculline or picrotoxin results in depression of biphasic GABA responses that appears selective for the depolarizing portion of the potential."	( Gallagher, JP; Shinnick-Gallagher, P; Stevens, DR, 1987)

Role	Description
agrochemical	An agrochemical is a substance that is used in agriculture or horticulture.
central nervous system stimulant	Any drug that enhances the activity of the central nervous system.
GABA-gated chloride channel antagonist	null
neurotoxin	A poison that interferes with the functions of the nervous system.
GABAA receptor antagonist	null
[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
isoquinoline alkaloid	Any alkaloid that has a structure based on an isoquinoline nucleus. They are derived from the amino acids like tyrosine and phenylalanine.
isoquinolines	A class of organic heteropolycyclic compound consisting of isoquinoline and its substitution derivatives.
benzylisoquinoline alkaloid	Any isoquinoline alkaloid based on a benzylisoquinoline skeleton.
[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)
thioredoxin reductase	Rattus norvegicus (Norway rat)	Potency	70.7946	0.1000	20.8793	79.4328	AID588453
euchromatic histone-lysine N-methyltransferase 2	Homo sapiens (human)	Potency	25.1189	0.0355	20.9770	89.1251	AID504332
chromobox protein homolog 1	Homo sapiens (human)	Potency	79.4328	0.0060	26.1688	89.1251	AID540317
importin subunit beta-1 isoform 1	Homo sapiens (human)	Potency	70.7946	5.8048	36.1306	65.1308	AID540263
snurportin-1	Homo sapiens (human)	Potency	70.7946	5.8048	36.1306	65.1308	AID540263
geminin	Homo sapiens (human)	Potency	2.3109	0.0046	11.3741	33.4983	AID624296
[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)
Gamma-aminobutyric acid receptor subunit pi	Homo sapiens (human)	IC50 (µMol)	15.0000	0.0001	1.0201	6.0000	AID72298
Gamma-aminobutyric acid receptor subunit delta	Homo sapiens (human)	IC50 (µMol)	15.0000	0.0001	1.0201	6.0000	AID72298
Gamma-aminobutyric acid receptor subunit alpha-1	Homo sapiens (human)	IC50 (µMol)	15.0000	0.0001	1.1494	8.0000	AID72298
Gamma-aminobutyric acid receptor subunit beta-1	Homo sapiens (human)	IC50 (µMol)	15.0000	0.0001	1.0393	6.0000	AID72298
Gamma-aminobutyric acid receptor subunit gamma-2	Homo sapiens (human)	IC50 (µMol)	15.0000	0.0001	1.2915	8.0000	AID72298
Gamma-aminobutyric acid receptor subunit beta-3	Homo sapiens (human)	IC50 (µMol)	15.0000	0.0001	1.3018	8.0000	AID72298
Gamma-aminobutyric acid receptor subunit alpha-5	Homo sapiens (human)	IC50 (µMol)	15.0000	0.0001	0.9800	6.0000	AID72298
Gamma-aminobutyric acid receptor subunit alpha-3	Homo sapiens (human)	IC50 (µMol)	15.0000	0.0001	1.1993	6.0000	AID72298
Gamma-aminobutyric acid receptor subunit alpha-2	Homo sapiens (human)	IC50 (µMol)	15.0000	0.0001	1.0201	6.0000	AID72298
Gamma-aminobutyric acid receptor subunit beta-2	Homo sapiens (human)	IC50 (µMol)	15.0000	0.0001	0.9374	6.0000	AID72298
Gamma-aminobutyric acid receptor subunit alpha-4	Homo sapiens (human)	IC50 (µMol)	15.0000	0.0001	1.0193	6.0000	AID72298
Gamma-aminobutyric acid receptor subunit epsilon	Homo sapiens (human)	IC50 (µMol)	15.0000	0.0001	1.0201	6.0000	AID72298
Gamma-aminobutyric acid receptor subunit alpha-6	Homo sapiens (human)	IC50 (µMol)	15.0000	0.0001	1.0201	6.0000	AID72298
Gamma-aminobutyric acid receptor subunit gamma-1	Homo sapiens (human)	IC50 (µMol)	15.0000	0.0001	1.0201	6.0000	AID72298
Gamma-aminobutyric acid receptor subunit gamma-3	Homo sapiens (human)	IC50 (µMol)	15.0000	0.0001	1.0201	6.0000	AID72298
Gamma-aminobutyric acid receptor subunit theta	Homo sapiens (human)	IC50 (µMol)	15.0000	0.0001	1.0201	6.0000	AID72298
[prepared from compound, protein, and bioassay information from National Library of Medicine (NLM), extracted Dec-2023]

Process	via Protein(s)	Taxonomy
chloride transmembrane transport	Gamma-aminobutyric acid receptor subunit pi	Homo sapiens (human)
regulation of membrane potential	Gamma-aminobutyric acid receptor subunit pi	Homo sapiens (human)
chemical synaptic transmission	Gamma-aminobutyric acid receptor subunit pi	Homo sapiens (human)
signal transduction	Gamma-aminobutyric acid receptor subunit delta	Homo sapiens (human)
gamma-aminobutyric acid signaling pathway	Gamma-aminobutyric acid receptor subunit delta	Homo sapiens (human)
synaptic transmission, GABAergic	Gamma-aminobutyric acid receptor subunit delta	Homo sapiens (human)
regulation of postsynaptic membrane potential	Gamma-aminobutyric acid receptor subunit delta	Homo sapiens (human)
chloride transmembrane transport	Gamma-aminobutyric acid receptor subunit delta	Homo sapiens (human)
regulation of membrane potential	Gamma-aminobutyric acid receptor subunit delta	Homo sapiens (human)
chemical synaptic transmission	Gamma-aminobutyric acid receptor subunit delta	Homo sapiens (human)
gamma-aminobutyric acid signaling pathway	Gamma-aminobutyric acid receptor subunit alpha-1	Homo sapiens (human)
synaptic transmission, GABAergic	Gamma-aminobutyric acid receptor subunit alpha-1	Homo sapiens (human)
chloride transmembrane transport	Gamma-aminobutyric acid receptor subunit alpha-1	Homo sapiens (human)
inhibitory synapse assembly	Gamma-aminobutyric acid receptor subunit alpha-1	Homo sapiens (human)
regulation of postsynaptic membrane potential	Gamma-aminobutyric acid receptor subunit alpha-1	Homo sapiens (human)
monoatomic ion transport	Gamma-aminobutyric acid receptor subunit beta-1	Homo sapiens (human)
signal transduction	Gamma-aminobutyric acid receptor subunit beta-1	Homo sapiens (human)
gamma-aminobutyric acid signaling pathway	Gamma-aminobutyric acid receptor subunit beta-1	Homo sapiens (human)
response to toxic substance	Gamma-aminobutyric acid receptor subunit beta-1	Homo sapiens (human)
central nervous system neuron development	Gamma-aminobutyric acid receptor subunit beta-1	Homo sapiens (human)
response to progesterone	Gamma-aminobutyric acid receptor subunit beta-1	Homo sapiens (human)
ovulation cycle	Gamma-aminobutyric acid receptor subunit beta-1	Homo sapiens (human)
regulation of postsynaptic membrane potential	Gamma-aminobutyric acid receptor subunit beta-1	Homo sapiens (human)
cellular response to histamine	Gamma-aminobutyric acid receptor subunit beta-1	Homo sapiens (human)
regulation of presynaptic membrane potential	Gamma-aminobutyric acid receptor subunit beta-1	Homo sapiens (human)
chloride transmembrane transport	Gamma-aminobutyric acid receptor subunit beta-1	Homo sapiens (human)
chemical synaptic transmission	Gamma-aminobutyric acid receptor subunit beta-1	Homo sapiens (human)
regulation of membrane potential	Gamma-aminobutyric acid receptor subunit beta-1	Homo sapiens (human)
gamma-aminobutyric acid signaling pathway	Gamma-aminobutyric acid receptor subunit gamma-2	Homo sapiens (human)
post-embryonic development	Gamma-aminobutyric acid receptor subunit gamma-2	Homo sapiens (human)
adult behavior	Gamma-aminobutyric acid receptor subunit gamma-2	Homo sapiens (human)
synaptic transmission, GABAergic	Gamma-aminobutyric acid receptor subunit gamma-2	Homo sapiens (human)
cellular response to histamine	Gamma-aminobutyric acid receptor subunit gamma-2	Homo sapiens (human)
chloride transmembrane transport	Gamma-aminobutyric acid receptor subunit gamma-2	Homo sapiens (human)
inhibitory synapse assembly	Gamma-aminobutyric acid receptor subunit gamma-2	Homo sapiens (human)
regulation of postsynaptic membrane potential	Gamma-aminobutyric acid receptor subunit gamma-2	Homo sapiens (human)
signal transduction	Gamma-aminobutyric acid receptor subunit beta-3	Homo sapiens (human)
gamma-aminobutyric acid signaling pathway	Gamma-aminobutyric acid receptor subunit beta-3	Homo sapiens (human)
synaptic transmission, GABAergic	Gamma-aminobutyric acid receptor subunit beta-3	Homo sapiens (human)
roof of mouth development	Gamma-aminobutyric acid receptor subunit beta-3	Homo sapiens (human)
cellular response to histamine	Gamma-aminobutyric acid receptor subunit beta-3	Homo sapiens (human)
chloride transmembrane transport	Gamma-aminobutyric acid receptor subunit beta-3	Homo sapiens (human)
inhibitory synapse assembly	Gamma-aminobutyric acid receptor subunit beta-3	Homo sapiens (human)
chemical synaptic transmission	Gamma-aminobutyric acid receptor subunit beta-3	Homo sapiens (human)
regulation of membrane potential	Gamma-aminobutyric acid receptor subunit beta-3	Homo sapiens (human)
behavioral fear response	Gamma-aminobutyric acid receptor subunit alpha-5	Homo sapiens (human)
signal transduction	Gamma-aminobutyric acid receptor subunit alpha-5	Homo sapiens (human)
gamma-aminobutyric acid signaling pathway	Gamma-aminobutyric acid receptor subunit alpha-5	Homo sapiens (human)
associative learning	Gamma-aminobutyric acid receptor subunit alpha-5	Homo sapiens (human)
inner ear receptor cell development	Gamma-aminobutyric acid receptor subunit alpha-5	Homo sapiens (human)
innervation	Gamma-aminobutyric acid receptor subunit alpha-5	Homo sapiens (human)
cochlea development	Gamma-aminobutyric acid receptor subunit alpha-5	Homo sapiens (human)
regulation of presynaptic membrane potential	Gamma-aminobutyric acid receptor subunit alpha-5	Homo sapiens (human)
synaptic transmission, GABAergic	Gamma-aminobutyric acid receptor subunit alpha-5	Homo sapiens (human)
chloride transmembrane transport	Gamma-aminobutyric acid receptor subunit alpha-5	Homo sapiens (human)
inhibitory synapse assembly	Gamma-aminobutyric acid receptor subunit alpha-5	Homo sapiens (human)
regulation of postsynaptic membrane potential	Gamma-aminobutyric acid receptor subunit alpha-5	Homo sapiens (human)
gamma-aminobutyric acid signaling pathway	Gamma-aminobutyric acid receptor subunit alpha-3	Homo sapiens (human)
inhibitory synapse assembly	Gamma-aminobutyric acid receptor subunit alpha-3	Homo sapiens (human)
chloride transmembrane transport	Gamma-aminobutyric acid receptor subunit alpha-3	Homo sapiens (human)
regulation of postsynaptic membrane potential	Gamma-aminobutyric acid receptor subunit alpha-3	Homo sapiens (human)
synaptic transmission, GABAergic	Gamma-aminobutyric acid receptor subunit alpha-3	Homo sapiens (human)
gamma-aminobutyric acid signaling pathway	Gamma-aminobutyric acid receptor subunit alpha-2	Homo sapiens (human)
regulation of presynaptic membrane potential	Gamma-aminobutyric acid receptor subunit alpha-2	Homo sapiens (human)
chloride transmembrane transport	Gamma-aminobutyric acid receptor subunit alpha-2	Homo sapiens (human)
inhibitory synapse assembly	Gamma-aminobutyric acid receptor subunit alpha-2	Homo sapiens (human)
regulation of postsynaptic membrane potential	Gamma-aminobutyric acid receptor subunit alpha-2	Homo sapiens (human)
synaptic transmission, GABAergic	Gamma-aminobutyric acid receptor subunit alpha-2	Homo sapiens (human)
gamma-aminobutyric acid signaling pathway	Gamma-aminobutyric acid receptor subunit beta-2	Homo sapiens (human)
chemical synaptic transmission	Gamma-aminobutyric acid receptor subunit beta-2	Homo sapiens (human)
synaptic transmission, GABAergic	Gamma-aminobutyric acid receptor subunit beta-2	Homo sapiens (human)
regulation of postsynaptic membrane potential	Gamma-aminobutyric acid receptor subunit beta-2	Homo sapiens (human)
inner ear receptor cell development	Gamma-aminobutyric acid receptor subunit beta-2	Homo sapiens (human)
innervation	Gamma-aminobutyric acid receptor subunit beta-2	Homo sapiens (human)
cellular response to histamine	Gamma-aminobutyric acid receptor subunit beta-2	Homo sapiens (human)
cochlea development	Gamma-aminobutyric acid receptor subunit beta-2	Homo sapiens (human)
chloride transmembrane transport	Gamma-aminobutyric acid receptor subunit beta-2	Homo sapiens (human)
inhibitory synapse assembly	Gamma-aminobutyric acid receptor subunit beta-2	Homo sapiens (human)
regulation of membrane potential	Gamma-aminobutyric acid receptor subunit beta-2	Homo sapiens (human)
gamma-aminobutyric acid signaling pathway	Gamma-aminobutyric acid receptor subunit alpha-4	Homo sapiens (human)
synaptic transmission, GABAergic	Gamma-aminobutyric acid receptor subunit alpha-4	Homo sapiens (human)
chloride transmembrane transport	Gamma-aminobutyric acid receptor subunit alpha-4	Homo sapiens (human)
inhibitory synapse assembly	Gamma-aminobutyric acid receptor subunit alpha-4	Homo sapiens (human)
regulation of postsynaptic membrane potential	Gamma-aminobutyric acid receptor subunit alpha-4	Homo sapiens (human)
negative regulation of chloride transport	Gamma-aminobutyric acid receptor subunit epsilon	Homo sapiens (human)
gamma-aminobutyric acid signaling pathway	Gamma-aminobutyric acid receptor subunit epsilon	Homo sapiens (human)
chloride transmembrane transport	Gamma-aminobutyric acid receptor subunit epsilon	Homo sapiens (human)
regulation of postsynaptic membrane potential	Gamma-aminobutyric acid receptor subunit epsilon	Homo sapiens (human)
synaptic transmission, GABAergic	Gamma-aminobutyric acid receptor subunit epsilon	Homo sapiens (human)
inhibitory synapse assembly	Gamma-aminobutyric acid receptor subunit epsilon	Homo sapiens (human)
signal transduction	Gamma-aminobutyric acid receptor subunit alpha-6	Homo sapiens (human)
gamma-aminobutyric acid signaling pathway	Gamma-aminobutyric acid receptor subunit alpha-6	Homo sapiens (human)
synaptic transmission, GABAergic	Gamma-aminobutyric acid receptor subunit alpha-6	Homo sapiens (human)
chloride transmembrane transport	Gamma-aminobutyric acid receptor subunit alpha-6	Homo sapiens (human)
regulation of postsynaptic membrane potential	Gamma-aminobutyric acid receptor subunit alpha-6	Homo sapiens (human)
inhibitory synapse assembly	Gamma-aminobutyric acid receptor subunit alpha-6	Homo sapiens (human)
regulation of postsynaptic membrane potential	Gamma-aminobutyric acid receptor subunit gamma-1	Homo sapiens (human)
synaptic transmission, GABAergic	Gamma-aminobutyric acid receptor subunit gamma-1	Homo sapiens (human)
gamma-aminobutyric acid signaling pathway	Gamma-aminobutyric acid receptor subunit gamma-1	Homo sapiens (human)
chloride transmembrane transport	Gamma-aminobutyric acid receptor subunit gamma-1	Homo sapiens (human)
inhibitory synapse assembly	Gamma-aminobutyric acid receptor subunit gamma-1	Homo sapiens (human)
response to xenobiotic stimulus	Gamma-aminobutyric acid receptor subunit gamma-3	Homo sapiens (human)
chloride transmembrane transport	Gamma-aminobutyric acid receptor subunit gamma-3	Homo sapiens (human)
regulation of postsynaptic membrane potential	Gamma-aminobutyric acid receptor subunit gamma-3	Homo sapiens (human)
synaptic transmission, GABAergic	Gamma-aminobutyric acid receptor subunit gamma-3	Homo sapiens (human)
inhibitory synapse assembly	Gamma-aminobutyric acid receptor subunit gamma-3	Homo sapiens (human)
gamma-aminobutyric acid signaling pathway	Gamma-aminobutyric acid receptor subunit gamma-3	Homo sapiens (human)
neurotransmitter transport	Gamma-aminobutyric acid receptor subunit theta	Homo sapiens (human)
signal transduction	Gamma-aminobutyric acid receptor subunit theta	Homo sapiens (human)
chemical synaptic transmission	Gamma-aminobutyric acid receptor subunit theta	Homo sapiens (human)
chloride transmembrane transport	Gamma-aminobutyric acid receptor subunit theta	Homo sapiens (human)
regulation of membrane potential	Gamma-aminobutyric acid receptor subunit theta	Homo sapiens (human)
[Information is prepared from geneontology information from the June-17-2024 release]

Process	via Protein(s)	Taxonomy
GABA-A receptor activity	Gamma-aminobutyric acid receptor subunit pi	Homo sapiens (human)
GABA-gated chloride ion channel activity	Gamma-aminobutyric acid receptor subunit pi	Homo sapiens (human)
neurotransmitter receptor activity	Gamma-aminobutyric acid receptor subunit pi	Homo sapiens (human)
chloride channel activity	Gamma-aminobutyric acid receptor subunit pi	Homo sapiens (human)
protein binding	Gamma-aminobutyric acid receptor subunit delta	Homo sapiens (human)
transmitter-gated monoatomic ion channel activity involved in regulation of postsynaptic membrane potential	Gamma-aminobutyric acid receptor subunit delta	Homo sapiens (human)
chloride channel activity	Gamma-aminobutyric acid receptor subunit delta	Homo sapiens (human)
neurotransmitter receptor activity	Gamma-aminobutyric acid receptor subunit delta	Homo sapiens (human)
GABA-A receptor activity	Gamma-aminobutyric acid receptor subunit delta	Homo sapiens (human)
GABA receptor activity	Gamma-aminobutyric acid receptor subunit alpha-1	Homo sapiens (human)
GABA-gated chloride ion channel activity	Gamma-aminobutyric acid receptor subunit alpha-1	Homo sapiens (human)
GABA-A receptor activity	Gamma-aminobutyric acid receptor subunit alpha-1	Homo sapiens (human)
GABA-gated chloride ion channel activity	Gamma-aminobutyric acid receptor subunit alpha-1	Homo sapiens (human)
transmitter-gated monoatomic ion channel activity involved in regulation of postsynaptic membrane potential	Gamma-aminobutyric acid receptor subunit alpha-1	Homo sapiens (human)
chloride channel activity	Gamma-aminobutyric acid receptor subunit alpha-1	Homo sapiens (human)
benzodiazepine receptor activity	Gamma-aminobutyric acid receptor subunit alpha-1	Homo sapiens (human)
GABA-A receptor activity	Gamma-aminobutyric acid receptor subunit alpha-1	Homo sapiens (human)
GABA-A receptor activity	Gamma-aminobutyric acid receptor subunit beta-1	Homo sapiens (human)
ligand-gated monoatomic ion channel activity	Gamma-aminobutyric acid receptor subunit beta-1	Homo sapiens (human)
GABA-gated chloride ion channel activity	Gamma-aminobutyric acid receptor subunit beta-1	Homo sapiens (human)
GABA receptor binding	Gamma-aminobutyric acid receptor subunit beta-1	Homo sapiens (human)
ligand-gated monoatomic ion channel activity involved in regulation of presynaptic membrane potential	Gamma-aminobutyric acid receptor subunit beta-1	Homo sapiens (human)
G protein-coupled neurotransmitter receptor activity involved in regulation of presynaptic membrane potential	Gamma-aminobutyric acid receptor subunit beta-1	Homo sapiens (human)
transmitter-gated monoatomic ion channel activity involved in regulation of postsynaptic membrane potential	Gamma-aminobutyric acid receptor subunit beta-1	Homo sapiens (human)
chloride channel activity	Gamma-aminobutyric acid receptor subunit beta-1	Homo sapiens (human)
neurotransmitter receptor activity	Gamma-aminobutyric acid receptor subunit beta-1	Homo sapiens (human)
GABA-gated chloride ion channel activity	Gamma-aminobutyric acid receptor subunit gamma-2	Homo sapiens (human)
GABA-A receptor activity	Gamma-aminobutyric acid receptor subunit gamma-2	Homo sapiens (human)
chloride channel activity	Gamma-aminobutyric acid receptor subunit gamma-2	Homo sapiens (human)
protein binding	Gamma-aminobutyric acid receptor subunit gamma-2	Homo sapiens (human)
GABA-gated chloride ion channel activity	Gamma-aminobutyric acid receptor subunit gamma-2	Homo sapiens (human)
transmitter-gated monoatomic ion channel activity involved in regulation of postsynaptic membrane potential	Gamma-aminobutyric acid receptor subunit gamma-2	Homo sapiens (human)
GABA-A receptor activity	Gamma-aminobutyric acid receptor subunit gamma-2	Homo sapiens (human)
chloride channel activity	Gamma-aminobutyric acid receptor subunit gamma-2	Homo sapiens (human)
neurotransmitter receptor activity	Gamma-aminobutyric acid receptor subunit gamma-2	Homo sapiens (human)
benzodiazepine receptor activity	Gamma-aminobutyric acid receptor subunit gamma-2	Homo sapiens (human)
GABA-A receptor activity	Gamma-aminobutyric acid receptor subunit beta-3	Homo sapiens (human)
GABA-gated chloride ion channel activity	Gamma-aminobutyric acid receptor subunit beta-3	Homo sapiens (human)
identical protein binding	Gamma-aminobutyric acid receptor subunit beta-3	Homo sapiens (human)
chloride channel activity	Gamma-aminobutyric acid receptor subunit beta-3	Homo sapiens (human)
neurotransmitter receptor activity	Gamma-aminobutyric acid receptor subunit beta-3	Homo sapiens (human)
GABA-A receptor activity	Gamma-aminobutyric acid receptor subunit alpha-5	Homo sapiens (human)
GABA-gated chloride ion channel activity	Gamma-aminobutyric acid receptor subunit alpha-5	Homo sapiens (human)
signaling receptor activity	Gamma-aminobutyric acid receptor subunit alpha-5	Homo sapiens (human)
GABA receptor binding	Gamma-aminobutyric acid receptor subunit alpha-5	Homo sapiens (human)
ligand-gated monoatomic ion channel activity involved in regulation of presynaptic membrane potential	Gamma-aminobutyric acid receptor subunit alpha-5	Homo sapiens (human)
transmitter-gated monoatomic ion channel activity involved in regulation of postsynaptic membrane potential	Gamma-aminobutyric acid receptor subunit alpha-5	Homo sapiens (human)
GABA-A receptor activity	Gamma-aminobutyric acid receptor subunit alpha-5	Homo sapiens (human)
benzodiazepine receptor activity	Gamma-aminobutyric acid receptor subunit alpha-5	Homo sapiens (human)
chloride channel activity	Gamma-aminobutyric acid receptor subunit alpha-5	Homo sapiens (human)
GABA-A receptor activity	Gamma-aminobutyric acid receptor subunit alpha-3	Homo sapiens (human)
protein binding	Gamma-aminobutyric acid receptor subunit alpha-3	Homo sapiens (human)
GABA-gated chloride ion channel activity	Gamma-aminobutyric acid receptor subunit alpha-3	Homo sapiens (human)
benzodiazepine receptor activity	Gamma-aminobutyric acid receptor subunit alpha-3	Homo sapiens (human)
GABA-A receptor activity	Gamma-aminobutyric acid receptor subunit alpha-3	Homo sapiens (human)
chloride channel activity	Gamma-aminobutyric acid receptor subunit alpha-3	Homo sapiens (human)
protein binding	Gamma-aminobutyric acid receptor subunit alpha-2	Homo sapiens (human)
benzodiazepine receptor activity	Gamma-aminobutyric acid receptor subunit alpha-2	Homo sapiens (human)
GABA-gated chloride ion channel activity	Gamma-aminobutyric acid receptor subunit alpha-2	Homo sapiens (human)
ligand-gated monoatomic ion channel activity involved in regulation of presynaptic membrane potential	Gamma-aminobutyric acid receptor subunit alpha-2	Homo sapiens (human)
transmitter-gated monoatomic ion channel activity involved in regulation of postsynaptic membrane potential	Gamma-aminobutyric acid receptor subunit alpha-2	Homo sapiens (human)
GABA-A receptor activity	Gamma-aminobutyric acid receptor subunit alpha-2	Homo sapiens (human)
chloride channel activity	Gamma-aminobutyric acid receptor subunit alpha-2	Homo sapiens (human)
GABA receptor activity	Gamma-aminobutyric acid receptor subunit beta-2	Homo sapiens (human)
GABA-gated chloride ion channel activity	Gamma-aminobutyric acid receptor subunit beta-2	Homo sapiens (human)
GABA-A receptor activity	Gamma-aminobutyric acid receptor subunit beta-2	Homo sapiens (human)
chloride channel activity	Gamma-aminobutyric acid receptor subunit beta-2	Homo sapiens (human)
transmitter-gated monoatomic ion channel activity involved in regulation of postsynaptic membrane potential	Gamma-aminobutyric acid receptor subunit beta-2	Homo sapiens (human)
neurotransmitter receptor activity	Gamma-aminobutyric acid receptor subunit beta-2	Homo sapiens (human)
chloride channel activity	Gamma-aminobutyric acid receptor subunit beta-2	Homo sapiens (human)
transmitter-gated monoatomic ion channel activity involved in regulation of postsynaptic membrane potential	Gamma-aminobutyric acid receptor subunit alpha-4	Homo sapiens (human)
chloride channel activity	Gamma-aminobutyric acid receptor subunit alpha-4	Homo sapiens (human)
GABA-A receptor activity	Gamma-aminobutyric acid receptor subunit alpha-4	Homo sapiens (human)
benzodiazepine receptor activity	Gamma-aminobutyric acid receptor subunit alpha-4	Homo sapiens (human)
GABA-gated chloride ion channel activity	Gamma-aminobutyric acid receptor subunit alpha-4	Homo sapiens (human)
GABA-A receptor activity	Gamma-aminobutyric acid receptor subunit epsilon	Homo sapiens (human)
GABA-gated chloride ion channel activity	Gamma-aminobutyric acid receptor subunit epsilon	Homo sapiens (human)
chloride channel activity	Gamma-aminobutyric acid receptor subunit epsilon	Homo sapiens (human)
benzodiazepine receptor activity	Gamma-aminobutyric acid receptor subunit epsilon	Homo sapiens (human)
GABA-A receptor activity	Gamma-aminobutyric acid receptor subunit epsilon	Homo sapiens (human)
transmitter-gated monoatomic ion channel activity involved in regulation of postsynaptic membrane potential	Gamma-aminobutyric acid receptor subunit alpha-6	Homo sapiens (human)
benzodiazepine receptor activity	Gamma-aminobutyric acid receptor subunit alpha-6	Homo sapiens (human)
GABA-gated chloride ion channel activity	Gamma-aminobutyric acid receptor subunit alpha-6	Homo sapiens (human)
GABA-A receptor activity	Gamma-aminobutyric acid receptor subunit alpha-6	Homo sapiens (human)
chloride channel activity	Gamma-aminobutyric acid receptor subunit alpha-6	Homo sapiens (human)
protein binding	Gamma-aminobutyric acid receptor subunit gamma-1	Homo sapiens (human)
GABA receptor binding	Gamma-aminobutyric acid receptor subunit gamma-1	Homo sapiens (human)
benzodiazepine receptor activity	Gamma-aminobutyric acid receptor subunit gamma-1	Homo sapiens (human)
GABA-gated chloride ion channel activity	Gamma-aminobutyric acid receptor subunit gamma-1	Homo sapiens (human)
chloride channel activity	Gamma-aminobutyric acid receptor subunit gamma-1	Homo sapiens (human)
GABA-A receptor activity	Gamma-aminobutyric acid receptor subunit gamma-1	Homo sapiens (human)
GABA-A receptor activity	Gamma-aminobutyric acid receptor subunit gamma-3	Homo sapiens (human)
GABA-gated chloride ion channel activity	Gamma-aminobutyric acid receptor subunit gamma-3	Homo sapiens (human)
transmitter-gated monoatomic ion channel activity involved in regulation of postsynaptic membrane potential	Gamma-aminobutyric acid receptor subunit gamma-3	Homo sapiens (human)
GABA-A receptor activity	Gamma-aminobutyric acid receptor subunit gamma-3	Homo sapiens (human)
benzodiazepine receptor activity	Gamma-aminobutyric acid receptor subunit gamma-3	Homo sapiens (human)
chloride channel activity	Gamma-aminobutyric acid receptor subunit gamma-3	Homo sapiens (human)
transmembrane signaling receptor activity	Gamma-aminobutyric acid receptor subunit theta	Homo sapiens (human)
GABA-A receptor activity	Gamma-aminobutyric acid receptor subunit theta	Homo sapiens (human)
neurotransmitter transmembrane transporter activity	Gamma-aminobutyric acid receptor subunit theta	Homo sapiens (human)
protein binding	Gamma-aminobutyric acid receptor subunit theta	Homo sapiens (human)
GABA-gated chloride ion channel activity	Gamma-aminobutyric acid receptor subunit theta	Homo sapiens (human)
chloride channel activity	Gamma-aminobutyric acid receptor subunit theta	Homo sapiens (human)
neurotransmitter receptor activity	Gamma-aminobutyric acid receptor subunit theta	Homo sapiens (human)
[Information is prepared from geneontology information from the June-17-2024 release]

Process	via Protein(s)	Taxonomy
plasma membrane	Gamma-aminobutyric acid receptor subunit pi	Homo sapiens (human)
apical plasma membrane	Gamma-aminobutyric acid receptor subunit pi	Homo sapiens (human)
chloride channel complex	Gamma-aminobutyric acid receptor subunit pi	Homo sapiens (human)
GABA-A receptor complex	Gamma-aminobutyric acid receptor subunit pi	Homo sapiens (human)
neuron projection	Gamma-aminobutyric acid receptor subunit pi	Homo sapiens (human)
transmembrane transporter complex	Gamma-aminobutyric acid receptor subunit pi	Homo sapiens (human)
synapse	Gamma-aminobutyric acid receptor subunit pi	Homo sapiens (human)
plasma membrane	Gamma-aminobutyric acid receptor subunit pi	Homo sapiens (human)
plasma membrane	Gamma-aminobutyric acid receptor subunit delta	Homo sapiens (human)
axon	Gamma-aminobutyric acid receptor subunit delta	Homo sapiens (human)
dendrite	Gamma-aminobutyric acid receptor subunit delta	Homo sapiens (human)
neuronal cell body	Gamma-aminobutyric acid receptor subunit delta	Homo sapiens (human)
postsynaptic membrane	Gamma-aminobutyric acid receptor subunit delta	Homo sapiens (human)
GABA-ergic synapse	Gamma-aminobutyric acid receptor subunit delta	Homo sapiens (human)
GABA-A receptor complex	Gamma-aminobutyric acid receptor subunit delta	Homo sapiens (human)
chloride channel complex	Gamma-aminobutyric acid receptor subunit delta	Homo sapiens (human)
plasma membrane	Gamma-aminobutyric acid receptor subunit delta	Homo sapiens (human)
synapse	Gamma-aminobutyric acid receptor subunit delta	Homo sapiens (human)
neuron projection	Gamma-aminobutyric acid receptor subunit delta	Homo sapiens (human)
transmembrane transporter complex	Gamma-aminobutyric acid receptor subunit delta	Homo sapiens (human)
plasma membrane	Gamma-aminobutyric acid receptor subunit alpha-1	Homo sapiens (human)
cytoplasmic vesicle membrane	Gamma-aminobutyric acid receptor subunit alpha-1	Homo sapiens (human)
GABA-ergic synapse	Gamma-aminobutyric acid receptor subunit alpha-1	Homo sapiens (human)
postsynaptic specialization membrane	Gamma-aminobutyric acid receptor subunit alpha-1	Homo sapiens (human)
GABA-A receptor complex	Gamma-aminobutyric acid receptor subunit alpha-1	Homo sapiens (human)
chloride channel complex	Gamma-aminobutyric acid receptor subunit alpha-1	Homo sapiens (human)
GABA receptor complex	Gamma-aminobutyric acid receptor subunit alpha-1	Homo sapiens (human)
dendrite membrane	Gamma-aminobutyric acid receptor subunit alpha-1	Homo sapiens (human)
postsynapse	Gamma-aminobutyric acid receptor subunit alpha-1	Homo sapiens (human)
synapse	Gamma-aminobutyric acid receptor subunit alpha-1	Homo sapiens (human)
neuron projection	Gamma-aminobutyric acid receptor subunit alpha-1	Homo sapiens (human)
plasma membrane	Gamma-aminobutyric acid receptor subunit alpha-1	Homo sapiens (human)
transmembrane transporter complex	Gamma-aminobutyric acid receptor subunit alpha-1	Homo sapiens (human)
nuclear envelope	Gamma-aminobutyric acid receptor subunit beta-1	Homo sapiens (human)
plasma membrane	Gamma-aminobutyric acid receptor subunit beta-1	Homo sapiens (human)
dendrite	Gamma-aminobutyric acid receptor subunit beta-1	Homo sapiens (human)
presynaptic active zone membrane	Gamma-aminobutyric acid receptor subunit beta-1	Homo sapiens (human)
Schaffer collateral - CA1 synapse	Gamma-aminobutyric acid receptor subunit beta-1	Homo sapiens (human)
GABA-ergic synapse	Gamma-aminobutyric acid receptor subunit beta-1	Homo sapiens (human)
postsynaptic specialization membrane	Gamma-aminobutyric acid receptor subunit beta-1	Homo sapiens (human)
chloride channel complex	Gamma-aminobutyric acid receptor subunit beta-1	Homo sapiens (human)
GABA-A receptor complex	Gamma-aminobutyric acid receptor subunit beta-1	Homo sapiens (human)
neuron projection	Gamma-aminobutyric acid receptor subunit beta-1	Homo sapiens (human)
plasma membrane	Gamma-aminobutyric acid receptor subunit beta-1	Homo sapiens (human)
synapse	Gamma-aminobutyric acid receptor subunit beta-1	Homo sapiens (human)
transmembrane transporter complex	Gamma-aminobutyric acid receptor subunit beta-1	Homo sapiens (human)
plasma membrane	Gamma-aminobutyric acid receptor subunit gamma-2	Homo sapiens (human)
axon	Gamma-aminobutyric acid receptor subunit gamma-2	Homo sapiens (human)
cytoplasmic vesicle membrane	Gamma-aminobutyric acid receptor subunit gamma-2	Homo sapiens (human)
dendrite membrane	Gamma-aminobutyric acid receptor subunit gamma-2	Homo sapiens (human)
GABA-ergic synapse	Gamma-aminobutyric acid receptor subunit gamma-2	Homo sapiens (human)
postsynaptic specialization membrane	Gamma-aminobutyric acid receptor subunit gamma-2	Homo sapiens (human)
GABA-A receptor complex	Gamma-aminobutyric acid receptor subunit gamma-2	Homo sapiens (human)
chloride channel complex	Gamma-aminobutyric acid receptor subunit gamma-2	Homo sapiens (human)
neuron projection	Gamma-aminobutyric acid receptor subunit gamma-2	Homo sapiens (human)
dendrite membrane	Gamma-aminobutyric acid receptor subunit gamma-2	Homo sapiens (human)
synapse	Gamma-aminobutyric acid receptor subunit gamma-2	Homo sapiens (human)
plasma membrane	Gamma-aminobutyric acid receptor subunit gamma-2	Homo sapiens (human)
transmembrane transporter complex	Gamma-aminobutyric acid receptor subunit gamma-2	Homo sapiens (human)
postsynapse	Gamma-aminobutyric acid receptor subunit gamma-2	Homo sapiens (human)
plasma membrane	Gamma-aminobutyric acid receptor subunit beta-3	Homo sapiens (human)
cytoplasmic vesicle membrane	Gamma-aminobutyric acid receptor subunit beta-3	Homo sapiens (human)
postsynaptic specialization membrane	Gamma-aminobutyric acid receptor subunit beta-3	Homo sapiens (human)
GABA-A receptor complex	Gamma-aminobutyric acid receptor subunit beta-3	Homo sapiens (human)
chloride channel complex	Gamma-aminobutyric acid receptor subunit beta-3	Homo sapiens (human)
neuron projection	Gamma-aminobutyric acid receptor subunit beta-3	Homo sapiens (human)
synapse	Gamma-aminobutyric acid receptor subunit beta-3	Homo sapiens (human)
plasma membrane	Gamma-aminobutyric acid receptor subunit beta-3	Homo sapiens (human)
transmembrane transporter complex	Gamma-aminobutyric acid receptor subunit beta-3	Homo sapiens (human)
nucleoplasm	Gamma-aminobutyric acid receptor subunit alpha-5	Homo sapiens (human)
cytosol	Gamma-aminobutyric acid receptor subunit alpha-5	Homo sapiens (human)
plasma membrane	Gamma-aminobutyric acid receptor subunit alpha-5	Homo sapiens (human)
neuronal cell body membrane	Gamma-aminobutyric acid receptor subunit alpha-5	Homo sapiens (human)
presynaptic membrane	Gamma-aminobutyric acid receptor subunit alpha-5	Homo sapiens (human)
GABA-ergic synapse	Gamma-aminobutyric acid receptor subunit alpha-5	Homo sapiens (human)
postsynaptic specialization membrane	Gamma-aminobutyric acid receptor subunit alpha-5	Homo sapiens (human)
GABA-A receptor complex	Gamma-aminobutyric acid receptor subunit alpha-5	Homo sapiens (human)
chloride channel complex	Gamma-aminobutyric acid receptor subunit alpha-5	Homo sapiens (human)
postsynapse	Gamma-aminobutyric acid receptor subunit alpha-5	Homo sapiens (human)
transmembrane transporter complex	Gamma-aminobutyric acid receptor subunit alpha-5	Homo sapiens (human)
neuron projection	Gamma-aminobutyric acid receptor subunit alpha-5	Homo sapiens (human)
dendrite membrane	Gamma-aminobutyric acid receptor subunit alpha-5	Homo sapiens (human)
synapse	Gamma-aminobutyric acid receptor subunit alpha-5	Homo sapiens (human)
plasma membrane	Gamma-aminobutyric acid receptor subunit alpha-5	Homo sapiens (human)
plasma membrane	Gamma-aminobutyric acid receptor subunit alpha-3	Homo sapiens (human)
postsynaptic membrane	Gamma-aminobutyric acid receptor subunit alpha-3	Homo sapiens (human)
GABA-A receptor complex	Gamma-aminobutyric acid receptor subunit alpha-3	Homo sapiens (human)
chloride channel complex	Gamma-aminobutyric acid receptor subunit alpha-3	Homo sapiens (human)
neuron projection	Gamma-aminobutyric acid receptor subunit alpha-3	Homo sapiens (human)
plasma membrane	Gamma-aminobutyric acid receptor subunit alpha-3	Homo sapiens (human)
dendrite membrane	Gamma-aminobutyric acid receptor subunit alpha-3	Homo sapiens (human)
transmembrane transporter complex	Gamma-aminobutyric acid receptor subunit alpha-3	Homo sapiens (human)
postsynapse	Gamma-aminobutyric acid receptor subunit alpha-3	Homo sapiens (human)
synapse	Gamma-aminobutyric acid receptor subunit alpha-3	Homo sapiens (human)
plasma membrane	Gamma-aminobutyric acid receptor subunit alpha-2	Homo sapiens (human)
axon	Gamma-aminobutyric acid receptor subunit alpha-2	Homo sapiens (human)
synaptic vesicle membrane	Gamma-aminobutyric acid receptor subunit alpha-2	Homo sapiens (human)
neuronal cell body	Gamma-aminobutyric acid receptor subunit alpha-2	Homo sapiens (human)
inhibitory synapse	Gamma-aminobutyric acid receptor subunit alpha-2	Homo sapiens (human)
GABA-ergic synapse	Gamma-aminobutyric acid receptor subunit alpha-2	Homo sapiens (human)
postsynaptic specialization membrane	Gamma-aminobutyric acid receptor subunit alpha-2	Homo sapiens (human)
GABA-A receptor complex	Gamma-aminobutyric acid receptor subunit alpha-2	Homo sapiens (human)
chloride channel complex	Gamma-aminobutyric acid receptor subunit alpha-2	Homo sapiens (human)
postsynapse	Gamma-aminobutyric acid receptor subunit alpha-2	Homo sapiens (human)
plasma membrane	Gamma-aminobutyric acid receptor subunit alpha-2	Homo sapiens (human)
transmembrane transporter complex	Gamma-aminobutyric acid receptor subunit alpha-2	Homo sapiens (human)
neuron projection	Gamma-aminobutyric acid receptor subunit alpha-2	Homo sapiens (human)
synapse	Gamma-aminobutyric acid receptor subunit alpha-2	Homo sapiens (human)
dendrite membrane	Gamma-aminobutyric acid receptor subunit alpha-2	Homo sapiens (human)
plasma membrane	Gamma-aminobutyric acid receptor subunit beta-2	Homo sapiens (human)
cytoplasmic vesicle membrane	Gamma-aminobutyric acid receptor subunit beta-2	Homo sapiens (human)
extracellular exosome	Gamma-aminobutyric acid receptor subunit beta-2	Homo sapiens (human)
GABA-ergic synapse	Gamma-aminobutyric acid receptor subunit beta-2	Homo sapiens (human)
postsynaptic specialization membrane	Gamma-aminobutyric acid receptor subunit beta-2	Homo sapiens (human)
GABA-A receptor complex	Gamma-aminobutyric acid receptor subunit beta-2	Homo sapiens (human)
chloride channel complex	Gamma-aminobutyric acid receptor subunit beta-2	Homo sapiens (human)
plasma membrane	Gamma-aminobutyric acid receptor subunit beta-2	Homo sapiens (human)
synapse	Gamma-aminobutyric acid receptor subunit beta-2	Homo sapiens (human)
neuron projection	Gamma-aminobutyric acid receptor subunit beta-2	Homo sapiens (human)
transmembrane transporter complex	Gamma-aminobutyric acid receptor subunit beta-2	Homo sapiens (human)
plasma membrane	Gamma-aminobutyric acid receptor subunit alpha-4	Homo sapiens (human)
GABA-ergic synapse	Gamma-aminobutyric acid receptor subunit alpha-4	Homo sapiens (human)
postsynaptic specialization membrane	Gamma-aminobutyric acid receptor subunit alpha-4	Homo sapiens (human)
GABA-A receptor complex	Gamma-aminobutyric acid receptor subunit alpha-4	Homo sapiens (human)
chloride channel complex	Gamma-aminobutyric acid receptor subunit alpha-4	Homo sapiens (human)
dendrite membrane	Gamma-aminobutyric acid receptor subunit alpha-4	Homo sapiens (human)
plasma membrane	Gamma-aminobutyric acid receptor subunit alpha-4	Homo sapiens (human)
postsynapse	Gamma-aminobutyric acid receptor subunit alpha-4	Homo sapiens (human)
neuron projection	Gamma-aminobutyric acid receptor subunit alpha-4	Homo sapiens (human)
synapse	Gamma-aminobutyric acid receptor subunit alpha-4	Homo sapiens (human)
transmembrane transporter complex	Gamma-aminobutyric acid receptor subunit alpha-4	Homo sapiens (human)
postsynaptic membrane	Gamma-aminobutyric acid receptor subunit epsilon	Homo sapiens (human)
chloride channel complex	Gamma-aminobutyric acid receptor subunit epsilon	Homo sapiens (human)
GABA-A receptor complex	Gamma-aminobutyric acid receptor subunit epsilon	Homo sapiens (human)
synapse	Gamma-aminobutyric acid receptor subunit epsilon	Homo sapiens (human)
dendrite membrane	Gamma-aminobutyric acid receptor subunit epsilon	Homo sapiens (human)
plasma membrane	Gamma-aminobutyric acid receptor subunit epsilon	Homo sapiens (human)
neuron projection	Gamma-aminobutyric acid receptor subunit epsilon	Homo sapiens (human)
postsynapse	Gamma-aminobutyric acid receptor subunit epsilon	Homo sapiens (human)
transmembrane transporter complex	Gamma-aminobutyric acid receptor subunit epsilon	Homo sapiens (human)
plasma membrane	Gamma-aminobutyric acid receptor subunit alpha-6	Homo sapiens (human)
cerebellar Golgi cell to granule cell synapse	Gamma-aminobutyric acid receptor subunit alpha-6	Homo sapiens (human)
postsynaptic specialization membrane	Gamma-aminobutyric acid receptor subunit alpha-6	Homo sapiens (human)
GABA-A receptor complex	Gamma-aminobutyric acid receptor subunit alpha-6	Homo sapiens (human)
chloride channel complex	Gamma-aminobutyric acid receptor subunit alpha-6	Homo sapiens (human)
postsynapse	Gamma-aminobutyric acid receptor subunit alpha-6	Homo sapiens (human)
dendrite membrane	Gamma-aminobutyric acid receptor subunit alpha-6	Homo sapiens (human)
transmembrane transporter complex	Gamma-aminobutyric acid receptor subunit alpha-6	Homo sapiens (human)
plasma membrane	Gamma-aminobutyric acid receptor subunit alpha-6	Homo sapiens (human)
synapse	Gamma-aminobutyric acid receptor subunit alpha-6	Homo sapiens (human)
neuron projection	Gamma-aminobutyric acid receptor subunit alpha-6	Homo sapiens (human)
plasma membrane	Gamma-aminobutyric acid receptor subunit gamma-1	Homo sapiens (human)
postsynaptic membrane	Gamma-aminobutyric acid receptor subunit gamma-1	Homo sapiens (human)
chloride channel complex	Gamma-aminobutyric acid receptor subunit gamma-1	Homo sapiens (human)
plasma membrane	Gamma-aminobutyric acid receptor subunit gamma-1	Homo sapiens (human)
dendrite membrane	Gamma-aminobutyric acid receptor subunit gamma-1	Homo sapiens (human)
GABA-A receptor complex	Gamma-aminobutyric acid receptor subunit gamma-1	Homo sapiens (human)
synapse	Gamma-aminobutyric acid receptor subunit gamma-1	Homo sapiens (human)
transmembrane transporter complex	Gamma-aminobutyric acid receptor subunit gamma-1	Homo sapiens (human)
neuron projection	Gamma-aminobutyric acid receptor subunit gamma-1	Homo sapiens (human)
postsynapse	Gamma-aminobutyric acid receptor subunit gamma-1	Homo sapiens (human)
nucleolus	Gamma-aminobutyric acid receptor subunit gamma-3	Homo sapiens (human)
plasma membrane	Gamma-aminobutyric acid receptor subunit gamma-3	Homo sapiens (human)
microtubule cytoskeleton	Gamma-aminobutyric acid receptor subunit gamma-3	Homo sapiens (human)
postsynaptic membrane	Gamma-aminobutyric acid receptor subunit gamma-3	Homo sapiens (human)
GABA-ergic synapse	Gamma-aminobutyric acid receptor subunit gamma-3	Homo sapiens (human)
chloride channel complex	Gamma-aminobutyric acid receptor subunit gamma-3	Homo sapiens (human)
transmembrane transporter complex	Gamma-aminobutyric acid receptor subunit gamma-3	Homo sapiens (human)
dendrite membrane	Gamma-aminobutyric acid receptor subunit gamma-3	Homo sapiens (human)
synapse	Gamma-aminobutyric acid receptor subunit gamma-3	Homo sapiens (human)
plasma membrane	Gamma-aminobutyric acid receptor subunit gamma-3	Homo sapiens (human)
neuron projection	Gamma-aminobutyric acid receptor subunit gamma-3	Homo sapiens (human)
GABA-A receptor complex	Gamma-aminobutyric acid receptor subunit gamma-3	Homo sapiens (human)
postsynapse	Gamma-aminobutyric acid receptor subunit gamma-3	Homo sapiens (human)
plasma membrane	Gamma-aminobutyric acid receptor subunit theta	Homo sapiens (human)
postsynaptic membrane	Gamma-aminobutyric acid receptor subunit theta	Homo sapiens (human)
chloride channel complex	Gamma-aminobutyric acid receptor subunit theta	Homo sapiens (human)
receptor complex	Gamma-aminobutyric acid receptor subunit theta	Homo sapiens (human)
plasma membrane	Gamma-aminobutyric acid receptor subunit theta	Homo sapiens (human)
neuron projection	Gamma-aminobutyric acid receptor subunit theta	Homo sapiens (human)
transmembrane transporter complex	Gamma-aminobutyric acid receptor subunit theta	Homo sapiens (human)
synapse	Gamma-aminobutyric acid receptor subunit theta	Homo sapiens (human)
GABA-A receptor complex	Gamma-aminobutyric acid receptor subunit theta	Homo sapiens (human)
[Information is prepared from geneontology information from the June-17-2024 release]

Assay ID	Title	Year	Journal	Article
AID540299	A screen for compounds that inhibit the MenB enzyme of Mycobacterium tuberculosis	2010	Bioorganic & medicinal chemistry letters, Nov-01, Volume: 20, Issue:21	Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis.
AID588519	A screen for compounds that inhibit viral RNA polymerase binding and polymerization activities	2011	Antiviral research, Sep, Volume: 91, Issue:3	High-throughput screening identification of poliovirus RNA-dependent RNA polymerase inhibitors.
AID1224817	Assays to identify small molecules inhibitory for eIF4E expression	2015	Chemistry & biology, Jul-23, Volume: 22, Issue:7	Internal Ribosome Entry Site-Based Bicistronic In Situ Reporter Assays for Discovery of Transcription-Targeted Lead Compounds.
AID504812	Inverse Agonists of the Thyroid Stimulating Hormone Receptor: HTS campaign	2010	Endocrinology, Jul, Volume: 151, Issue:7	A small molecule inverse agonist for the human thyroid-stimulating hormone receptor.
AID588497	High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Botulinum neurotoxin light chain F protease, MLPCN compound set	2010	Current protocols in cytometry, Oct, Volume: Chapter 13	Microsphere-based flow cytometry protease assays for use in protease activity detection and high-throughput screening.
AID588497	High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Botulinum neurotoxin light chain F protease, MLPCN compound set	2006	Cytometry. Part A : the journal of the International Society for Analytical Cytology, May, Volume: 69, Issue:5	Microsphere-based protease assays and screening application for lethal factor and factor Xa.
AID588497	High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Botulinum neurotoxin light chain F protease, MLPCN compound set	2010	Assay and drug development technologies, Feb, Volume: 8, Issue:1	High-throughput multiplex flow cytometry screening for botulinum neurotoxin type a light chain protease inhibitors.
AID588499	High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Botulinum neurotoxin light chain A protease, MLPCN compound set	2010	Current protocols in cytometry, Oct, Volume: Chapter 13	Microsphere-based flow cytometry protease assays for use in protease activity detection and high-throughput screening.
AID588499	High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Botulinum neurotoxin light chain A protease, MLPCN compound set	2006	Cytometry. Part A : the journal of the International Society for Analytical Cytology, May, Volume: 69, Issue:5	Microsphere-based protease assays and screening application for lethal factor and factor Xa.
AID588499	High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Botulinum neurotoxin light chain A protease, MLPCN compound set	2010	Assay and drug development technologies, Feb, Volume: 8, Issue:1	High-throughput multiplex flow cytometry screening for botulinum neurotoxin type a light chain protease inhibitors.
AID1745845	Primary qHTS for Inhibitors of ATXN expression
AID651635	Viability Counterscreen for Primary qHTS for Inhibitors of ATXN expression
AID588501	High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Lethal Factor Protease, MLPCN compound set	2010	Current protocols in cytometry, Oct, Volume: Chapter 13	Microsphere-based flow cytometry protease assays for use in protease activity detection and high-throughput screening.
AID588501	High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Lethal Factor Protease, MLPCN compound set	2006	Cytometry. Part A : the journal of the International Society for Analytical Cytology, May, Volume: 69, Issue:5	Microsphere-based protease assays and screening application for lethal factor and factor Xa.
AID588501	High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Lethal Factor Protease, MLPCN compound set	2010	Assay and drug development technologies, Feb, Volume: 8, Issue:1	High-throughput multiplex flow cytometry screening for botulinum neurotoxin type a light chain protease inhibitors.
AID504810	Antagonists of the Thyroid Stimulating Hormone Receptor: HTS campaign	2010	Endocrinology, Jul, Volume: 151, Issue:7	A small molecule inverse agonist for the human thyroid-stimulating hormone receptor.
AID385598	Activity of human GABA alpha-1-beta-2-gamma-2L receptor in HEK293 cells expressing as-PKCepsilon assessed as induction of ethanol induced GABA current	2007	The Journal of biological chemistry, Nov-09, Volume: 282, Issue:45	Protein kinase C epsilon regulates gamma-aminobutyrate type A receptor sensitivity to ethanol and benzodiazepines through phosphorylation of gamma2 subunits.
AID1576638	Antagonist activity at GABAA receptor in electrically stimulated Sprague-Dawley rat dentate gyrus hippocampal granule neurons assessed as reduction in GABA induced IPSC at 20 uM at holding potential of -65 mV by whole-cell patch-clamp method	2019	Journal of natural products, 05-24, Volume: 82, Issue:5	Ferulic Acid Esters and Withanolides: In Search of Withania somnifera GABA
AID72298	Displacement of [3H]GABA from gamma-aminobutyric-acid A (GABA-A) receptor	1992	Journal of medicinal chemistry, May-29, Volume: 35, Issue:11	Structure and molecular modeling of GABAA receptor antagonists.
AID71674	In vitro displacement of [35S]TBPS from Gamma-aminobutyric acid A receptor of rat brain membrane preparations at 100 uM	2000	Bioorganic & medicinal chemistry letters, Nov-20, Volume: 10, Issue:22	Use of bicuculline, a GABA antagonist, as a template for the development of a new class of ligands showing positive allosteric modulation of the GABA(A) receptor.
AID205269	Inhibition of binding of Batrachotoxinin [3H]BTX-B to high-affinity sites on voltage-dependent sodium channels in a vesicular preparation from guinea pig cerebral cortex at 100 uM	1985	Journal of medicinal chemistry, Mar, Volume: 28, Issue:3	[3H]Batrachotoxinin A 20 alpha-benzoate binding to voltage-sensitive sodium channels: a rapid and quantitative assay for local anesthetic activity in a variety of drugs.
AID72155	Binding affinity in vivo for gamma-aminobutyric-acid A receptor measured by its ability to displace [3H]-GABA agonist from rat brain preparations after iv injection.	1992	Journal of medicinal chemistry, Oct-30, Volume: 35, Issue:22	Condensation of muscimol or thiomuscimol with aminopyridazines yields GABA-A antagonists.
AID71427	Percent displacement of [3H]GABA at Gamma-aminobutyric acid receptor in rat brain membranes at 0.01 uM	1980	Journal of medicinal chemistry, Oct, Volume: 23, Issue:10	(+/-)-trans-2-(Aminomethyl)cyclobutanecarboxylic acid hydrochloride: a rigid analogue of gamma-aminobutyric acid.
AID697853	Inhibition of horse BChE at 2 mg/ml by Ellman's method	2012	Bioorganic & medicinal chemistry, Nov-15, Volume: 20, Issue:22	Exploration of natural compounds as sources of new bifunctional scaffolds targeting cholinesterases and beta amyloid aggregation: the case of chelerythrine.
AID72724	Percent GABA current elicited in Xenopus laevis oocytes expressing rat GABA-A alpha-1-beta-2-gamma-2 subunits at 100 uM [(-)inhibition, (+)stimulation]	2000	Bioorganic & medicinal chemistry letters, Nov-20, Volume: 10, Issue:22	Use of bicuculline, a GABA antagonist, as a template for the development of a new class of ligands showing positive allosteric modulation of the GABA(A) receptor.
AID72153	Affinity for gamma-aminobutyric-acid A receptor measured by its ability to displace [3H]gabazine antagonist from rat brain preparations.	1992	Journal of medicinal chemistry, Oct-30, Volume: 35, Issue:22	Condensation of muscimol or thiomuscimol with aminopyridazines yields GABA-A antagonists.
AID71681	In vitro displacement of [3H]muscimol from Gamma-aminobutyric acid A receptor of rat brain membrane preparations at 10 uM	2000	Bioorganic & medicinal chemistry letters, Nov-20, Volume: 10, Issue:22	Use of bicuculline, a GABA antagonist, as a template for the development of a new class of ligands showing positive allosteric modulation of the GABA(A) receptor.
AID697852	Inhibition of electric eel AChE at 2 mg/ml by Ellman's method	2012	Bioorganic & medicinal chemistry, Nov-15, Volume: 20, Issue:22	Exploration of natural compounds as sources of new bifunctional scaffolds targeting cholinesterases and beta amyloid aggregation: the case of chelerythrine.
AID385597	Activity of human GABA alpha-1-beta-2-gamma-2L receptor in HEK293 cells expressing as-PKCepsilon assessed as inhibition of ethanol induced GABA current at 30 uM	2007	The Journal of biological chemistry, Nov-09, Volume: 282, Issue:45	Protein kinase C epsilon regulates gamma-aminobutyrate type A receptor sensitivity to ethanol and benzodiazepines through phosphorylation of gamma2 subunits.
AID71679	Displacement of [3H]flunitrazepam from GABA-A receptor of rat brain membrane preparations at 100 uM	2000	Bioorganic & medicinal chemistry letters, Nov-20, Volume: 10, Issue:22	Use of bicuculline, a GABA antagonist, as a template for the development of a new class of ligands showing positive allosteric modulation of the GABA(A) receptor.
AID71571	Relative binding affinity for sodium-independent Gamma-aminobutyric acid receptor synaptic membrane binding site in rat brain tissue	1980	Journal of medicinal chemistry, Oct, Volume: 23, Issue:10	(+/-)-trans-2-(Aminomethyl)cyclobutanecarboxylic acid hydrochloride: a rigid analogue of gamma-aminobutyric acid.
AID385599	Activity of human GABA alpha-1-beta-2-gamma-2L S327A mutant in HEK293 cells expressing as-PKCepsilon assessed as inhibition of ethanol induced GABA current at 30 uM	2007	The Journal of biological chemistry, Nov-09, Volume: 282, Issue:45	Protein kinase C epsilon regulates gamma-aminobutyrate type A receptor sensitivity to ethanol and benzodiazepines through phosphorylation of gamma2 subunits.
AID496866	Anticonvulsant activity in po dosed mouse assessed as inhibition of MES-induced tonic seizures	2010	Journal of medicinal chemistry, Aug-12, Volume: 53, Issue:15	alpha-Amino-3-hydroxy-5-methyl-4-isoxazolepropionic acid (AMPA) antagonists: from bench to bedside.
AID521220	Inhibition of neurosphere proliferation of mouse neural precursor cells by MTT assay	2007	Nature chemical biology, May, Volume: 3, Issue:5	Chemical genetics reveals a complex functional ground state of neural stem cells.
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.
AID1347159	Primary screen GU Rhodamine qHTS for Zika virus inhibitors: Unlinked NS2B-NS3 protease assay	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.
AID1347160	Primary 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.
AID1346987	P-glycoprotein substrates identified in KB-8-5-11 adenocarcinoma cell line, qHTS therapeutic library screen	2019	Molecular pharmacology, 11, Volume: 96, Issue:5	A High-Throughput Screen of a Library of Therapeutics Identifies Cytotoxic Substrates of P-glycoprotein.
AID1346986	P-glycoprotein substrates identified in KB-3-1 adenocarcinoma cell line, qHTS therapeutic library screen	2019	Molecular pharmacology, 11, Volume: 96, Issue:5	A High-Throughput Screen of a Library of Therapeutics Identifies Cytotoxic Substrates of P-glycoprotein.
AID1346449	Human KCa2.1 (Calcium- and sodium-activated potassium channels)	2000	British journal of pharmacology, Mar, Volume: 129, Issue:5	Pharmacological characterization of small-conductance Ca(2+)-activated K(+) channels stably expressed in HEK 293 cells.
AID1346438	Rat KCa2.2 (Calcium- and sodium-activated potassium channels)	2000	British journal of pharmacology, Mar, Volume: 129, Issue:5	Pharmacological characterization of small-conductance Ca(2+)-activated K(+) channels stably expressed in HEK 293 cells.
AID1159607	Screen for inhibitors of RMI FANCM (MM2) intereaction	2016	Journal of biomolecular screening, Jul, Volume: 21, Issue:6	A High-Throughput Screening Strategy to Identify Protein-Protein Interaction Inhibitors That Block the Fanconi Anemia DNA Repair Pathway.
[information is prepared from bioassay data collected from National Library of Medicine (NLM), extracted Dec-2023]

Timeframe	Studies, This Drug (%)	All Drugs %
pre-1990	1588 (26.29)	18.7374
1990's	1847 (30.57)	18.2507
2000's	1705 (28.22)	29.6817
2010's	816 (13.51)	24.3611
2020's	85 (1.41)	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	3 (0.05%)	5.53%
Reviews	65 (1.04%)	6.00%
Case Studies	1 (0.02%)	4.05%
Observational	0 (0.00%)	0.25%
Other	6,184 (98.90%)	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
gabazine	[no description available]	medium	2	0
pitrazepin	[no description available]	medium	6	0	N-arylpiperazine
securinine	[no description available]	medium	3	0	indolizines
isothaz	[no description available]	medium	2	0
gamma-aminobutyric acid	[no description available]	medium	2,450	0	amino acid zwitterion; gamma-amino acid; monocarboxylic acid	human metabolite; neurotransmitter; Saccharomyces cerevisiae metabolite; signalling molecule
gamma-aminobutyric acid	[no description available]	medium	2,450	1	amino acid zwitterion; gamma-amino acid; monocarboxylic acid	human metabolite; neurotransmitter; Saccharomyces cerevisiae metabolite; signalling molecule
muscimol	[no description available]	medium	1,023	0	alkaloid; isoxazoles; primary amino compound	fungal metabolite; GABA agonist; oneirogen; psychotropic drug
muscimol	[no description available]	medium	1,023	1	alkaloid; isoxazoles; primary amino compound	fungal metabolite; GABA agonist; oneirogen; psychotropic drug
thiomuscimol	[no description available]	medium	1	0
sr 95531	[no description available]	medium	115	0	methoxybenzenes
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
gallopamil	[no description available]	medium	1	0	benzenes; organic amino compound
4-aminopyridine	[no description available]	medium	119	0	aminopyridine; aromatic amine	avicide; orphan drug; potassium channel blocker
phenytoin	[no description available]	medium	34	0	imidazolidine-2,4-dione	anticonvulsant; drug allergen; sodium channel blocker; teratogenic agent
8-(4-sulfophenyl)theophylline	[no description available]	medium	6	0
8-phenyltheophylline	[no description available]	medium	3	0
theophylline	[no description available]	medium	22	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
amitriptyline	[no description available]	medium	3	0	carbotricyclic compound; tertiary amine	adrenergic uptake inhibitor; antidepressant; environmental contaminant; tropomyosin-related kinase B receptor agonist; xenobiotic
anisindione	[no description available]	medium	1	0	aromatic ketone; beta-diketone	anticoagulant; vitamin K antagonist
baclofen	[no description available]	medium	606	0	amino acid zwitterion; gamma-amino acid; monocarboxylic acid; monochlorobenzenes; primary amino compound	central nervous system depressant; GABA agonist; muscle relaxant
baclofen	[no description available]	medium	606	1	amino acid zwitterion; gamma-amino acid; monocarboxylic acid; monochlorobenzenes; primary amino compound	central nervous system depressant; GABA agonist; muscle relaxant
benzocaine	[no description available]	medium	1	0	benzoate ester; substituted aniline	allergen; antipruritic drug; sensitiser; topical anaesthetic
bepridil	[no description available]	medium	2	0	pyrrolidines; tertiary amine	anti-arrhythmia drug; antihypertensive agent; calcium channel blocker; vasodilator agent
biperiden	[no description available]	medium	1	0	piperidines; tertiary alcohol; tertiary amino compound	antidote to sarin poisoning; antidyskinesia agent; antiparkinson drug; muscarinic antagonist; parasympatholytic
bupivacaine	[no description available]	medium	2	0	aromatic amide; piperidinecarboxamide; tertiary amino compound
buspirone	[no description available]	medium	4	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
butacaine	[no description available]	medium	1	0	benzoate ester
butamben	[no description available]	medium	1	0	amino acid ester; benzoate ester; primary amino compound; substituted aniline	local anaesthetic
caffeine	[no description available]	high	27	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	13	0	aromatic ether; nitrile; polyether; tertiary amino compound
carbamazepine	[no description available]	medium	17	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
chlordiazepoxide	[no description available]	medium	44	0	benzodiazepine
chlorpheniramine	[no description available]	medium	1	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	9	0	organochlorine compound; phenothiazines; tertiary amine	anticoronaviral agent; antiemetic; dopaminergic antagonist; EC 3.4.21.26 (prolyl oligopeptidase) inhibitor; phenothiazine antipsychotic drug
cimetidine	[no description available]	medium	7	0	aliphatic sulfide; guanidines; imidazoles; nitrile	adjuvant; analgesic; anti-ulcer drug; H2-receptor antagonist; P450 inhibitor
clomipramine	[no description available]	medium	4	0	dibenzoazepine	anticoronaviral agent; antidepressant; EC 1.8.1.12 (trypanothione-disulfide reductase) inhibitor; serotonergic antagonist; serotonergic drug; serotonin uptake inhibitor
cyproheptadine	[no description available]	medium	10	0	piperidines; tertiary amine	anti-allergic agent; antipruritic drug; gastrointestinal drug; H1-receptor antagonist; serotonergic antagonist
desipramine	[no description available]	medium	9	0	dibenzoazepine; secondary amino compound	adrenergic uptake inhibitor; alpha-adrenergic antagonist; antidepressant; cholinergic antagonist; drug allergen; EC 3.1.4.12 (sphingomyelin phosphodiesterase) inhibitor; EC 3.4.21.26 (prolyl oligopeptidase) inhibitor; H1-receptor antagonist; serotonin uptake inhibitor
diazepam	[no description available]	medium	279	0	1,4-benzodiazepinone; organochlorine compound	anticonvulsant; anxiolytic drug; environmental contaminant; sedative; xenobiotic
diazoxide	[no description available]	medium	5	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
dibucaine	[no description available]	medium	2	0	aromatic ether; monocarboxylic acid amide; tertiary amino compound	topical anaesthetic
dicyclomine	[no description available]	medium	2	0	carboxylic ester; tertiary amine	antispasmodic drug; muscarinic antagonist; parasympatholytic
diphenidol	[no description available]	medium	1	0	benzenes; piperidines; tertiary alcohol	antiemetic
dilazep	[no description available]	medium	1	0	benzoate ester; diazepane; diester; methoxybenzenes	cardioprotective agent; platelet aggregation inhibitor; vasodilator agent
diphenhydramine	[no description available]	medium	4	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	7	0	piperidines; pyrimidopyrimidine; tertiary amino compound; tetrol	adenosine phosphodiesterase inhibitor; EC 3.5.4.4 (adenosine deaminase) inhibitor; platelet aggregation inhibitor; vasodilator agent
doxepin	[no description available]	medium	1	0	dibenzooxepine; tertiary amino compound	antidepressant
droperidol	[no description available]	medium	3	0	aromatic ketone; benzimidazoles; organofluorine compound	anaesthesia adjuvant; antiemetic; dopaminergic antagonist; first generation antipsychotic
etazolate	[no description available]	medium	6	0	ethyl ester; hydrazone; pyrazolopyridine	alpha-secretase activator; antidepressant; antipsychotic agent; anxiolytic drug; GABA agent; neuroprotective agent; phosphodiesterase IV inhibitor
felodipine	[no description available]	medium	3	0	dichlorobenzene; dihydropyridine; ethyl ester; methyl ester	anti-arrhythmia drug; antihypertensive agent; calcium channel blocker; vasodilator agent
flufenamic acid	[no description available]	medium	4	0	aromatic amino acid; organofluorine compound	antipyretic; EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor; non-narcotic analgesic; non-steroidal anti-inflammatory drug
fluphenazine	[no description available]	medium	4	0	N-alkylpiperazine; organofluorine compound; phenothiazines	anticoronaviral agent; dopaminergic antagonist; phenothiazine antipsychotic drug
flumazenil	[no description available]	medium	127	0	ethyl ester; imidazobenzodiazepine; organofluorine compound	antidote to benzodiazepine poisoning; GABA antagonist
haloperidol	[no description available]	medium	67	0	aromatic ketone; hydroxypiperidine; monochlorobenzenes; organofluorine compound; tertiary alcohol	antidyskinesia agent; antiemetic; dopaminergic antagonist; first generation antipsychotic; serotonergic antagonist
hydroxyzine	[no description available]	medium	1	0	hydroxyether; monochlorobenzenes; N-alkylpiperazine	anticoronaviral agent; antipruritic drug; anxiolytic drug; dermatologic drug; H1-receptor antagonist
lidocaine	[no description available]	medium	45	0	benzenes; monocarboxylic acid amide; tertiary amino compound	anti-arrhythmia drug; drug allergen; environmental contaminant; local anaesthetic; xenobiotic
ici 118551	[no description available]	medium	1	0	indanes
imipramine	[no description available]	medium	7	0	dibenzoazepine	adrenergic uptake inhibitor; antidepressant; EC 3.4.21.26 (prolyl oligopeptidase) inhibitor
indomethacin	[no description available]	medium	12	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
1-methyl-3-isobutylxanthine	[no description available]	medium	6	0	3-isobutyl-1-methylxanthine
loperamide	[no description available]	medium	1	0	monocarboxylic acid amide; monochlorobenzenes; piperidines; tertiary alcohol	anticoronaviral agent; antidiarrhoeal drug; mu-opioid receptor agonist
mepivacaine	[no description available]	medium	1	0	piperidinecarboxamide	drug allergen; local anaesthetic
benzoic acid [2-methyl-2-(propylamino)propyl] ester	[no description available]	medium	1	0	benzoate ester
metoprolol	[no description available]	medium	2	0	aromatic ether; propanolamine; secondary alcohol; secondary amino compound	antihypertensive agent; beta-adrenergic antagonist; environmental contaminant; geroprotector; xenobiotic
mianserin	[no description available]	medium	5	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
nifedipine	[no description available]	medium	28	0	C-nitro compound; dihydropyridine; methyl ester	calcium channel blocker; human metabolite; tocolytic agent; vasodilator agent
nisoldipine	[no description available]	medium	1	0	C-nitro compound; dicarboxylic acids and O-substituted derivatives; diester; dihydropyridine; methyl ester
nitrendipine	[no description available]	medium	11	0	C-nitro compound; dicarboxylic acids and O-substituted derivatives; diester; dihydropyridine; ethyl ester; methyl ester	antihypertensive agent; calcium channel blocker; geroprotector; vasodilator agent
nortriptyline	[no description available]	medium	1	0	organic tricyclic compound; secondary amine	adrenergic uptake inhibitor; analgesic; antidepressant; antineoplastic agent; apoptosis inducer; drug metabolite
oxethazaine	[no description available]	medium	1	0	amino acid amide
benoxinate	[no description available]	medium	1	0	amino acid ester; benzoate ester; substituted aniline; tertiary amino compound	drug allergen; local anaesthetic; topical anaesthetic
papaverine	[no description available]	high	2	0	benzylisoquinoline alkaloid; dimethoxybenzene; isoquinolines	antispasmodic drug; vasodilator agent
pentobarbital	[no description available]	medium	164	0	barbiturates	GABAA receptor agonist
pheniramine	[no description available]	medium	1	0	pyridines; tertiary amino compound
phenobarbital	[no description available]	medium	52	0	barbiturates	anticonvulsant; drug allergen; excitatory amino acid antagonist; sedative
phenoxybenzamine	[no description available]	medium	20	0	aromatic amine
practolol	[no description available]	medium	1	0	acetamides; ethanolamines; propanolamine; secondary alcohol; secondary amino compound	anti-arrhythmia drug; beta-adrenergic antagonist
pramoxine	[no description available]	medium	1	0	aromatic ether; morpholines	local anaesthetic
prazosin	[no description available]	medium	16	0	aromatic ether; furans; monocarboxylic acid amide; piperazines; quinazolines	alpha-adrenergic antagonist; antihypertensive agent; EC 3.4.21.26 (prolyl oligopeptidase) inhibitor
prilocaine	[no description available]	medium	1	0	amino acid amide; monocarboxylic acid amide	anticonvulsant; local anaesthetic
proadifen	[no description available]	medium	1	0	diarylmethane
procainamide	[no description available]	medium	1	0	benzamides	anti-arrhythmia drug; platelet aggregation inhibitor; sodium channel blocker
procaine	[no description available]	medium	7	0	benzoate ester; substituted aniline; tertiary amino compound	central nervous system depressant; drug allergen; local anaesthetic; peripheral nervous system drug
promazine	[no description available]	medium	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
promethazine	[no description available]	medium	1	0	phenothiazines; tertiary amine	anti-allergic agent; anticoronaviral agent; antiemetic; antipruritic drug; H1-receptor antagonist; local anaesthetic; sedative
proxymetacaine	[no description available]	medium	1	0	benzoate ester
protriptyline	[no description available]	medium	1	0	carbotricyclic compound	antidepressant
pyrilamine	[no description available]	medium	3	0	aromatic ether; ethylenediamine derivative	H1-receptor antagonist
4-(3-butoxy-4-methoxybenzyl)-2-imidazolidinone	[no description available]	medium	2	0	methoxybenzenes
rolipram	[no description available]	medium	3	0	pyrrolidin-2-ones	antidepressant; EC 3.1.4.* (phosphoric diester hydrolase) inhibitor
secobarbital	[no description available]	medium	3	0	barbiturates	anaesthesia adjuvant; GABA modulator; sedative
sotalol	[no description available]	medium	1	0	ethanolamines; secondary alcohol; secondary amino compound; sulfonamide	anti-arrhythmia drug; beta-adrenergic antagonist; environmental contaminant; xenobiotic
spiperone	[no description available]	medium	4	0	aromatic ketone; azaspiro compound; organofluorine compound; piperidines; tertiary amino compound	alpha-adrenergic antagonist; antipsychotic agent; dopaminergic antagonist; psychotropic drug; serotonergic antagonist
tetracaine	[no description available]	medium	1	0	benzoate ester; tertiary amino compound	local anaesthetic
thioridazine	[no description available]	medium	1	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
trazodone	[no description available]	medium	3	0	monochlorobenzenes; N-alkylpiperazine; N-arylpiperazine; triazolopyridine	adrenergic antagonist; antidepressant; anxiolytic drug; H1-receptor antagonist; sedative; serotonin uptake inhibitor
trequinsin	[no description available]	medium	1	0	pyridopyrimidine
trifluoperazine	[no description available]	medium	1	0	N-alkylpiperazine; N-methylpiperazine; organofluorine compound; phenothiazines	antiemetic; calmodulin antagonist; dopaminergic antagonist; EC 1.8.1.12 (trypanothione-disulfide reductase) inhibitor; EC 5.3.3.5 (cholestenol Delta-isomerase) inhibitor; phenothiazine antipsychotic drug
reserpine	[no description available]	medium	15	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
phentolamine	[no description available]	medium	32	0	imidazoles; phenols; substituted aniline; tertiary amino compound	alpha-adrenergic antagonist; vasodilator agent
hexobendine	[no description available]	medium	1	0	trihydroxybenzoic acid
dichloroisoproterenol	[no description available]	medium	1	0
tetraethylammonium chloride	[no description available]	medium	2	0	organic chloride salt; quaternary ammonium salt	potassium channel blocker
tetrabenazine	[no description available]	medium	1	0	benzoquinolizine; cyclic ketone; tertiary amino compound
piperoxan	[no description available]	medium	1	0
nifenalol	[no description available]	medium	1	0	C-nitro compound
brompheniramine	[no description available]	medium	1	0	organobromine compound; pyridines	anti-allergic agent; H1-receptor antagonist
propoxycaine	[no description available]	medium	1	0	benzoate ester
dimethisoquin	[no description available]	medium	1	0	isoquinolines
parethoxycaine	[no description available]	medium	1	0	benzoate ester
yohimbine	[no description available]	medium	23	0	methyl 17-hydroxy-20xi-yohimban-16-carboxylate	alpha-adrenergic antagonist; dopamine receptor D2 antagonist; serotonergic antagonist
2-chloroadenosine	[no description available]	medium	7	0	purine nucleoside
prenylamine	[no description available]	medium	1	0	diarylmethane
hexylcaine	[no description available]	medium	1	0	benzoate ester
piperocaine	[no description available]	medium	1	0	benzoate ester
diperodon	[no description available]	medium	1	0	carbamate ester
cyclomethycaine	[no description available]	medium	1	0	benzoate ester
carcainium chloride	[no description available]	medium	1	0
azacyclonol	[no description available]	medium	1	0	diarylmethane
butoxamine	[no description available]	medium	1	0
dexpropranolol	[no description available]	medium	1	0	propranolol
iprindole	[no description available]	medium	1	0	indoles
carticaine	[no description available]	medium	1	0	thiophenecarboxylic acid
timolol	[no description available]	medium	3	0	timolol	anti-arrhythmia drug; antiglaucoma drug; antihypertensive agent; beta-adrenergic antagonist
butaclamol	[no description available]	medium	1	0	organic heteropentacyclic compound
etidocaine	[no description available]	medium	1	0	amino acid amide	local anaesthetic
diltiazem	[no description available]	medium	3	0	5-[2-(dimethylamino)ethyl]-2-(4-methoxyphenyl)-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepin-3-yl acetate	antihypertensive agent; calcium channel blocker; vasodilator agent
Arbaclofen	[no description available]	medium	1	0	organonitrogen compound; organooxygen compound
colforsin	[no description available]	medium	16	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
opromazine	[no description available]	medium	1	0	phenothiazines
corynanthine	[no description available]	medium	2	0	yohimban alkaloid
phenylisopropyladenosine	[no description available]	medium	2	0	aromatic amine; benzenes; hydrocarbyladenosine; purine nucleoside; secondary amino compound	adenosine A1 receptor agonist; neuroprotective agent
w 7	[no description available]	medium	1	0
2-n-butyl-3-(dimethylamino)-5,6-methylenedioxyindene	[no description available]	medium	1	0
rac 109	[no description available]	medium	1	0
atropine	[no description available]	medium	105	0
strychnine	[no description available]	medium	599	0	monoterpenoid indole alkaloid; organic heteroheptacyclic compound	avicide; cholinergic antagonist; glycine receptor antagonist; neurotransmitter agent; rodenticide
quinidine	[no description available]	medium	2	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
cocaine	[no description available]	high	21	0	benzoate ester; methyl ester; tertiary amino compound; tropane alkaloid	adrenergic uptake inhibitor; central nervous system stimulant; dopamine uptake inhibitor; environmental contaminant; local anaesthetic; mouse metabolite; plant metabolite; serotonin uptake inhibitor; sodium channel blocker; sympathomimetic agent; vasoconstrictor agent; xenobiotic
diethylstilbestrol	[no description available]	medium	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
rauwolscine	[no description available]	medium	3	0	methyl 17-hydroxy-20xi-yohimban-16-carboxylate
chlorprothixene	[no description available]	medium	1	0	chlorprothixene
flunarizine	[no description available]	medium	3	0	diarylmethane
thiothixene	[no description available]	medium	1	0	N-methylpiperazine	anticoronaviral agent
cinnarizine	[no description available]	medium	2	0	diarylmethane; N-alkylpiperazine; olefinic compound	anti-allergic agent; antiemetic; calcium channel blocker; geroprotector; H1-receptor antagonist; histamine antagonist; muscarinic antagonist
quinine	[no description available]	medium	5	0	cinchona alkaloid	antimalarial; muscle relaxant; non-narcotic analgesic
codeine	[no description available]	medium	1	0	morphinane alkaloid; organic heteropentacyclic compound	antitussive; drug allergen; environmental contaminant; opioid analgesic; opioid receptor agonist; prodrug; xenobiotic
morphine	[no description available]	medium	118	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
levorphanol	[no description available]	medium	1	0	morphinane alkaloid
dextrorphan	[no description available]	medium	2	0	morphinane alkaloid
zimeldine	[no description available]	medium	1	0	styrenes
1-methyl-d-lysergic acid butanolamide	[no description available]	medium	1	0	ergot alkaloid; monocarboxylic acid amide	serotonergic antagonist; sympatholytic agent; vasoconstrictor agent
scopolamine hydrobromide	[no description available]	medium	39	0
dequalinium	[no description available]	medium	2	0	quinolinium ion	antifungal agent; antineoplastic agent; antiseptic drug; mitochondrial NADH:ubiquinone reductase inhibitor
tubocurarine	[no description available]	medium	36	0	bisbenzylisoquinoline alkaloid	drug allergen; muscle relaxant; nicotinic antagonist
ucl 1684	[no description available]	medium	1	0
acetamide	[no description available]	medium	1	0	acetamides; carboximidic acid; monocarboxylic acid amide; N-acylammonia
catechol	[no description available]	medium	1	0	catechols	allelochemical; genotoxin; plant metabolite
taxifolin	[no description available]	medium	1	0	3'-hydroxyflavanones; 4'-hydroxyflavanones; dihydroflavonols; pentahydroxyflavanone; secondary alpha-hydroxy ketone
phosphonoacetic acid	[no description available]	medium	1	0	monocarboxylic acid; phosphonic acids	antiviral agent; EC 2.7.7.7 (DNA-directed DNA polymerase) inhibitor
3,4-dihydroxyphenylacetic acid	[no description available]	medium	15	0	catechols; dihydroxyphenylacetic acid	human metabolite
aminocaproic acid	[no description available]	medium	1	0	amino acid zwitterion; epsilon-amino acid; omega-amino fatty acid	antifibrinolytic drug; hematologic agent; metabolite
diacetyl	[no description available]	medium	2	0	alpha-diketone	Escherichia coli metabolite; Saccharomyces cerevisiae metabolite
hydroquinone	[no description available]	medium	1	0	benzenediol; hydroquinones	antioxidant; carcinogenic agent; cofactor; Escherichia coli metabolite; human xenobiotic metabolite; mouse metabolite; skin lightening agent
melatonin	[no description available]	medium	27	0	acetamides; tryptamines	anticonvulsant; central nervous system depressant; geroprotector; hormone; human metabolite; immunological adjuvant; mouse metabolite; radical scavenger
n-acetylserotonin	[no description available]	medium	2	0	acetamides; N-acylserotonin; phenols	antioxidant; human metabolite; mouse metabolite; tropomyosin-related kinase B receptor agonist
pyrazinamide	[no description available]	medium	1	0	monocarboxylic acid amide; N-acylammonia; pyrazines	antitubercular agent; prodrug
quinolinic acid	[no description available]	medium	3	0	pyridinedicarboxylic acid	Escherichia coli metabolite; human metabolite; mouse metabolite; NMDA receptor agonist
taurine	[no description available]	medium	94	0	amino sulfonic acid; zwitterion	antioxidant; Escherichia coli metabolite; glycine receptor agonist; human metabolite; mouse metabolite; nutrient; radical scavenger; Saccharomyces cerevisiae metabolite
2-amino-5-phosphonovalerate	[no description available]	medium	445	0	non-proteinogenic alpha-amino acid	NMDA receptor antagonist
alpha-methyl-4-carboxyphenylglycine	[no description available]	medium	1	0
3-(2-carboxypiperazin-4-yl)propyl-1-phosphonic acid	[no description available]	medium	38	0
1-hydroxy-3-amino-2-pyrrolidone	[no description available]	medium	4	0
ibotenic acid	[no description available]	high	16	0	non-proteinogenic alpha-amino acid	neurotoxin
n(8)-bromoacetyl-n(1)-3'-(4-indolyloxy)-2'-hydroxypropyl-1,8-diamino-4-menthane	[no description available]	medium	1	0
sk&f-38393	[no description available]	medium	12	0	benzazepine; catechols; secondary amino compound
vanilmandelic acid	[no description available]	medium	1	0	2-hydroxy monocarboxylic acid; aromatic ether; phenols	human metabolite
1,10-diaminodecane	[no description available]	medium	1	0
1,3-diethyl-8-phenylxanthine	[no description available]	medium	1	0
1,3-dipropyl-8-cyclopentylxanthine	[no description available]	medium	21	0	oxopurine	adenosine A1 receptor antagonist; EC 3.1.4.* (phosphoric diester hydrolase) inhibitor
1,3-dipropyl-8-(4-sulfophenyl)xanthine	[no description available]	medium	1	0
1,5-dihydroxyisoquinoline	[no description available]	medium	1	0	isoquinolinol	EC 2.4.2.30 (NAD(+) ADP-ribosyltransferase) inhibitor
pk 11195	[no description available]	medium	14	0	aromatic amide; isoquinolines; monocarboxylic acid amide; monochlorobenzenes	antineoplastic agent
1-(2-trifluoromethylphenyl)imidazole	[no description available]	medium	2	0	imidazoles
1-aminobenzotriazole	[no description available]	medium	1	0
1-methylimidazole	[no description available]	medium	1	0	imidazoles
edelfosine	[no description available]	medium	1	0	glycerophosphocholine
1h-(1,2,4)oxadiazolo(4,3-a)quinoxalin-1-one	[no description available]	medium	3	0	oxadiazoloquinoxaline	EC 4.6.1.2 (guanylate cyclase) inhibitor
2,2'-dipyridyl	[no description available]	medium	1	0	bipyridine	chelator; ferroptosis inhibitor
2-hydroxysaclofen	[no description available]	medium	52	0	organochlorine compound
3,4-dichloroisocoumarin	[no description available]	medium	1	0	isocoumarins; organochlorine compound	geroprotector; serine protease inhibitor
phaclofen	[no description available]	medium	121	0	organophosphate oxoanion; zwitterion
3-aminobenzamide	[no description available]	medium	1	0	benzamides; substituted aniline	EC 2.4.2.30 (NAD(+) ADP-ribosyltransferase) inhibitor
3-bromo-7-nitroindazole	[no description available]	medium	1	0
enprofylline	[no description available]	medium	1	0	oxopurine	anti-arrhythmia drug; anti-asthmatic drug; bronchodilator agent; non-steroidal anti-inflammatory drug
3-nitropropionic acid	[no description available]	medium	4	0	C-nitro compound	antimycobacterial drug; EC 1.3.5.1 [succinate dehydrogenase (quinone)] inhibitor; mycotoxin; neurotoxin
4-amino-1,8-naphthalimide	[no description available]	medium	1	0	benzoisoquinoline; dicarboximide
homovanillic acid	[no description available]	medium	6	0	guaiacols; monocarboxylic acid	human metabolite; mouse metabolite
4-hydroxybenzoic acid hydrazide	[no description available]	medium	1	0	carbohydrazide; phenols
4-phenyl-3-furoxancarbonitrile	[no description available]	medium	1	0	1,2,5-oxadiazole; benzenes; N-oxide; nitrile	geroprotector; nitric oxide donor; platelet aggregation inhibitor; soluble guanylate cyclase activator; vasodilator agent
5,5-dimethyl-1-pyrroline-1-oxide	[no description available]	medium	1	0	1-pyrroline nitrones	neuroprotective agent; spin trapping reagent
5,7-dichlorokynurenic acid	[no description available]	medium	1	0	quinolines
5-(n,n-hexamethylene)amiloride	[no description available]	medium	1	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]	medium	1	0	aromatic amine; guanidines; monocarboxylic acid amide; organochlorine compound; pyrazines; tertiary amino compound	anti-arrhythmia drug; neuroprotective agent; sodium channel blocker
5-fluoroindole-2-carboxylic acid	[no description available]	medium	1	0	indolyl carboxylic acid
hydroxyindoleacetic acid	[no description available]	medium	13	0	indole-3-acetic acids	drug metabolite; human metabolite; mouse metabolite
phenanthridone	[no description available]	medium	1	0	lactam; phenanthridines	EC 2.4.2.30 (NAD(+) ADP-ribosyltransferase) inhibitor; immunosuppressive agent; mutagen
6-chloromelatonin	[no description available]	medium	1	0	acetamides
6-hydroxymelatonin	[no description available]	medium	1	0	acetamides; tryptamines	metabolite; mouse metabolite
6-methoxytryptoline	[no description available]	medium	1	0
6-nitroso-1,2-benzopyrone	[no description available]	medium	1	0
7-chlorokynurenic acid	[no description available]	medium	5	0	organochlorine compound; quinolinemonocarboxylic acid	neuroprotective agent; NMDA receptor antagonist
7-nitroindazole	[no description available]	medium	4	0
8-cyclopentyl-1,3-dimethylxanthine	[no description available]	medium	6	0	oxopurine
acetazolamide	[no description available]	medium	7	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
ag 127	[no description available]	medium	1	0	nitrophenol
rtki cpd	[no description available]	medium	1	0	aromatic ether; monochlorobenzenes; quinazolines	antineoplastic agent; antiviral agent; epidermal growth factor receptor antagonist; geroprotector
tyrphostin a23	[no description available]	medium	1	0	catechols
tyrphostin 25	[no description available]	medium	1	0	benzenetriol
tyrphostin a1	[no description available]	medium	1	0	methoxybenzenes	geroprotector
1-aminoindan-1,5-dicarboxylic acid	[no description available]	medium	2	0
albuterol	[no description available]	medium	2	0	phenols; phenylethanolamines; secondary amino compound	beta-adrenergic agonist; bronchodilator agent; environmental contaminant; xenobiotic
alpha-methyltyrosine methyl ester	[no description available]	medium	1	0
altretamine	[no description available]	medium	1	0	triamino-1,3,5-triazine
amfonelic acid	[no description available]	medium	1	0
amifostine anhydrous	[no description available]	medium	1	0	diamine; organic thiophosphate	antioxidant; prodrug; radiation protective agent
amoxapine	[no description available]	medium	1	0	dibenzooxazepine	adrenergic uptake inhibitor; antidepressant; dopaminergic antagonist; geroprotector; serotonin uptake inhibitor
aniracetam	[no description available]	medium	4	0	N-acylpyrrolidine; pyrrolidin-2-ones
2-amino-4-phosphonobutyric acid	[no description available]	medium	14	0
aspirin	[no description available]	medium	4	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	6	0	ethanolamines; monocarboxylic acid amide; propanolamine	anti-arrhythmia drug; antihypertensive agent; beta-adrenergic antagonist; environmental contaminant; sympatholytic agent; xenobiotic
alpha-amino-3-hydroxy-5-tert-butyl-4-isoxazolepropionate	[no description available]	medium	3	0	alpha-amino acid
aurintricarboxylic acid	[no description available]	medium	1	0	monohydroxybenzoic acid; quinomethanes; tricarboxylic acid	fluorochrome; histological dye; insulin-like growth factor receptor 1 antagonist
azathioprine	[no description available]	medium	1	0	aryl sulfide; C-nitro compound; imidazoles; thiopurine	antimetabolite; antineoplastic agent; carcinogenic agent; DNA synthesis inhibitor; hepatotoxic agent; immunosuppressive agent; prodrug
azelaic acid	[no description available]	medium	1	0	alpha,omega-dicarboxylic acid; dicarboxylic fatty acid	antibacterial agent; antineoplastic agent; dermatologic drug; plant metabolite
bay-k-8644	[no description available]	medium	10	0	(trifluoromethyl)benzenes; C-nitro compound; dihydropyridine; methyl ester
benzamide	[no description available]	medium	1	0	benzamides
bml 190	[no description available]	medium	1	0	N-acylindole
brimonidine	[no description available]	medium	1	0	imidazoles; quinoxaline derivative; secondary amine	adrenergic agonist; alpha-adrenergic agonist; antihypertensive agent
bumetanide	[no description available]	medium	15	0	amino acid; benzoic acids; sulfonamide	diuretic; EC 3.6.3.49 (channel-conductance-controlling ATPase) inhibitor
carbetapentane	[no description available]	medium	1	0	benzenes
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
cgs 12066	[no description available]	medium	1	0	N-arylpiperazine; organofluorine compound; pyrroloquinoxaline	serotonergic agonist
cgs 15943	[no description available]	medium	1	0	aromatic amine; biaryl; furans; organochlorine compound; primary amino compound; quinazolines; triazoloquinazoline	adenosine A1 receptor antagonist; adenosine A2A receptor antagonist; antineoplastic agent; central nervous system stimulant
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
chlormezanone	[no description available]	medium	1	0	1,3-thiazine; lactam; monochlorobenzenes; sulfone	antipsychotic agent; anxiolytic drug; muscle relaxant
chlorothiazide	[no description available]	medium	1	0	benzothiadiazine	antihypertensive agent; diuretic
chlorpropamide	[no description available]	medium	1	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
cilostamide	[no description available]	medium	1	0	quinolines
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
cinoxacin	[no description available]	medium	1	0	cinnolines; oxacycle; oxo carboxylic acid	antibacterial drug; antiinfective agent
ciprofibrate	[no description available]	medium	1	0	cyclopropanes; monocarboxylic acid; organochlorine compound	antilipemic drug
clofibrate	[no description available]	medium	1	0	aromatic ether; ethyl ester; monochlorobenzenes	anticholesteremic drug; antilipemic drug; geroprotector; PPARalpha agonist
clotrimazole	[no description available]	medium	1	0	conazole antifungal drug; imidazole antifungal drug; imidazoles; monochlorobenzenes	antiinfective agent; environmental contaminant; xenobiotic
cx546	[no description available]	medium	1	0
cyclothiazide	[no description available]	medium	8	0	benzothiadiazine	antihypertensive agent; diuretic
dephostatin	[no description available]	medium	1	0
nonivamide	[no description available]	medium	1	0	capsaicinoid; phenols	lachrymator
r 59022	[no description available]	medium	1	0	diarylmethane
pentetic acid	[no description available]	medium	1	0	pentacarboxylic acid	copper chelator
diphenyleneiodonium	[no description available]	medium	1	0	organic cation
disopyramide	[no description available]	medium	1	0	monocarboxylic acid amide; pyridines; tertiary amino compound	anti-arrhythmia drug
disulfiram	[no description available]	medium	1	0	organic disulfide; organosulfur acaricide	angiogenesis inhibitor; antineoplastic agent; apoptosis inducer; EC 1.2.1.3 [aldehyde dehydrogenase (NAD(+))] inhibitor; EC 3.1.1.1 (carboxylesterase) inhibitor; EC 3.1.1.8 (cholinesterase) inhibitor; EC 5.99.1.2 (DNA topoisomerase) inhibitor; ferroptosis inducer; fungicide; NF-kappaB inhibitor
2-amino-7-phosphonoheptanoic acid	[no description available]	medium	18	0
thiorphan	[no description available]	medium	2	0	N-acyl-amino acid
2,3-dimethoxy-1,4-naphthoquinone	[no description available]	medium	1	0	1,4-naphthoquinones
domperidone	[no description available]	medium	5	0	benzimidazoles; heteroarylpiperidine	antiemetic; dopaminergic antagonist
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
ellipticine	[no description available]	medium	3	0	indole alkaloid; organic heterotetracyclic compound; organonitrogen heterocyclic compound; polycyclic heteroarene	antineoplastic agent; plant metabolite
emodin	[no description available]	medium	4	0	trihydroxyanthraquinone	antineoplastic agent; laxative; plant metabolite; tyrosine kinase inhibitor
ethosuximide	[no description available]	medium	11	0	dicarboximide; pyrrolidinone	anticonvulsant; geroprotector; T-type calcium channel blocker
ethosuximide	[no description available]	medium	11	1	dicarboximide; pyrrolidinone	anticonvulsant; geroprotector; T-type calcium channel blocker
etodolac	[no description available]	medium	1	0	monocarboxylic acid; organic heterotricyclic compound	antipyretic; cyclooxygenase 2 inhibitor; non-narcotic analgesic; non-steroidal anti-inflammatory drug
felbamate	[no description available]	medium	4	0	carbamate ester	anticonvulsant; neuroprotective agent
fenofibrate	[no description available]	medium	1	0	aromatic ether; chlorobenzophenone; isopropyl ester; monochlorobenzenes	antilipemic drug; environmental contaminant; geroprotector; xenobiotic
fluorouracil	[no description available]	medium	2	0	nucleobase analogue; organofluorine compound	antimetabolite; antineoplastic agent; environmental contaminant; immunosuppressive agent; radiosensitizing agent; xenobiotic
fluspirilene	[no description available]	medium	2	0	diarylmethane
flutamide	[no description available]	medium	1	0	(trifluoromethyl)benzenes; monocarboxylic acid amide	androgen antagonist; antineoplastic agent
formoterol fumarate	[no description available]	medium	1	0	formamides; phenols; phenylethanolamines; secondary alcohol; secondary amino compound
fpl 64176	[no description available]	medium	1	0	carboxylic ester; pyrroles	calcium channel agonist
furafylline	[no description available]	medium	1	0	oxopurine
furosemide	[no description available]	medium	37	0	chlorobenzoic acid; furans; sulfonamide	environmental contaminant; loop diuretic; xenobiotic
fusaric acid	[no description available]	medium	1	0	aromatic carboxylic acid; pyridines
gabapentin	[no description available]	medium	9	0	gamma-amino acid	anticonvulsant; calcium channel blocker; environmental contaminant; xenobiotic
4-amino-5-hexynoic acid	[no description available]	medium	13	0
glipizide	[no description available]	medium	2	0	aromatic amide; monocarboxylic acid amide; N-sulfonylurea; pyrazines	EC 2.7.1.33 (pantothenate kinase) inhibitor; hypoglycemic agent; insulin secretagogue
glyburide	[no description available]	medium	11	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
1-(5-isoquinolinesulfonyl)piperazine	[no description available]	medium	1	0	isoquinolines
hemicholinium 3	[no description available]	medium	1	0	morpholines
4-fluorohexahydrosiladifenidol	[no description available]	medium	1	0
hydrochlorothiazide	[no description available]	medium	1	0	benzothiadiazine; organochlorine compound; sulfonamide	antihypertensive agent; diuretic; environmental contaminant; xenobiotic
hydroxyurea	[no description available]	medium	1	0	one-carbon compound; ureas	antimetabolite; antimitotic; antineoplastic agent; DNA synthesis inhibitor; EC 1.17.4.1 (ribonucleoside-diphosphate reductase) inhibitor; genotoxin; immunomodulator; radical scavenger; teratogenic agent
ibudilast	[no description available]	medium	1	0	pyrazolopyridine
ibuprofen	[no description available]	medium	1	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
ic 261	[no description available]	medium	1	0	indoles
ifenprodil	[no description available]	medium	6	0	piperidines
indirubin-3'-monoxime	[no description available]	medium	1	0
iodoacetamide	[no description available]	medium	1	0
4-piperidinecarboxylic acid	[no description available]	medium	1	0
4-(4'-hydroxyphenyl)-amino-6,7-dimethoxyquinazoline	[no description available]	medium	1	0
jl 18	[no description available]	medium	1	0
nsc 664704	[no description available]	medium	3	0	indolobenzazepine; lactam; organobromine compound	cardioprotective agent; EC 2.7.11.22 (cyclin-dependent kinase) inhibitor; EC 2.7.11.26 (tau-protein kinase) inhibitor; geroprotector
ketoconazole	[no description available]	medium	2	0	dichlorobenzene; dioxolane; ether; imidazoles; N-acylpiperazine; N-arylpiperazine
ketoprofen	[no description available]	medium	1	0	benzophenones; oxo monocarboxylic acid	antipyretic; drug allergen; EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor; environmental contaminant; non-steroidal anti-inflammatory drug; xenobiotic
kynurenic acid	[no description available]	medium	111	0	monohydroxyquinoline; quinolinemonocarboxylic acid	G-protein-coupled receptor agonist; human metabolite; neuroprotective agent; nicotinic antagonist; NMDA receptor antagonist; Saccharomyces cerevisiae metabolite
2-amino-3-phosphonopropionic acid	[no description available]	medium	5	0	alanine derivative; non-proteinogenic alpha-amino acid; phosphonic acids	human metabolite; metabotropic glutamate receptor antagonist
lamotrigine	[no description available]	medium	8	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	3	0	benzochromenone; orthoquinones	anti-inflammatory agent; antineoplastic agent; plant metabolite
leflunomide	[no description available]	medium	1	0	(trifluoromethyl)benzenes; isoxazoles; monocarboxylic acid amide	antineoplastic agent; antiparasitic agent; EC 1.3.98.1 [dihydroorotate oxidase (fumarate)] inhibitor; EC 3.1.3.16 (phosphoprotein phosphatase) inhibitor; hepatotoxic agent; immunosuppressive agent; non-steroidal anti-inflammatory drug; prodrug; pyrimidine synthesis inhibitor; tyrosine kinase inhibitor
linopirdine	[no description available]	medium	3	0	indoles
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
loxoprofen	[no description available]	medium	1	0	cyclopentanones; monocarboxylic acid	antipyretic; EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor; non-narcotic analgesic; non-steroidal anti-inflammatory drug; prodrug
2-(4-morpholinyl)-8-phenyl-4h-1-benzopyran-4-one	[no description available]	medium	3	0	chromones; morpholines; organochlorine compound	autophagy inhibitor; EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor; geroprotector
meclofenamate sodium anhydrous	[no description available]	medium	1	0	organic sodium salt
methiothepin	[no description available]	medium	5	0	aryl sulfide; dibenzothiepine; N-alkylpiperazine; tertiary amino compound	antipsychotic agent; dopaminergic antagonist; geroprotector; serotonergic antagonist
methoctramine	[no description available]	medium	1	0	aromatic ether; tetramine	muscarinic antagonist
nocodazole	[no description available]	medium	2	0	aromatic ketone; benzimidazoles; carbamate ester; thiophenes	antimitotic; antineoplastic agent; microtubule-destabilising agent; tubulin modulator
3-Hydroxy-alpha-methyl-DL-tyrosine	[no description available]	medium	1	0	benzenes; monocarboxylic acid
metolazone	[no description available]	medium	1	0	organochlorine compound; quinazolines; sulfonamide	antihypertensive agent; diuretic; ion transport inhibitor
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
minoxidil	[no description available]	medium	1	0	dialkylarylamine; tertiary amino compound
mitotane	[no description available]	medium	1	0	diarylmethane
mitoxantrone	[no description available]	medium	1	0	dihydroxyanthraquinone	analgesic; antineoplastic agent
ml 7	[no description available]	medium	1	0	N-sulfonyldiazepane; organoiodine compound	EC 2.7.11.18 (myosin-light-chain kinase) inhibitor
n-(4-aminobutyl)-5-chloro-2-naphthalenesulfonamide	[no description available]	medium	1	0	naphthalenes; organochlorine compound; primary amino compound; sulfonamide
n-bromoacetamide	[no description available]	medium	1	0
ethylmaleimide	[no description available]	medium	2	0	maleimides	anticoronaviral agent; EC 1.3.1.8 [acyl-CoA dehydrogenase (NADP(+))] inhibitor; EC 2.1.1.122 [(S)-tetrahydroprotoberberine N-methyltransferase] inhibitor; EC 2.7.1.1 (hexokinase) inhibitor
fg 7142	[no description available]	medium	11	0	beta-carbolines
fenamic acid	[no description available]	medium	1	0	aminobenzoic acid; secondary amino compound	membrane transport modulator
n 0840	[no description available]	medium	1	0
nialamide	[no description available]	medium	1	0	organonitrogen compound; organooxygen compound
niclosamide	[no description available]	medium	1	0	benzamides; C-nitro compound; monochlorobenzenes; salicylanilides; secondary carboxamide	anthelminthic drug; anticoronaviral agent; antiparasitic agent; apoptosis inducer; molluscicide; piscicide; STAT3 inhibitor
niflumic acid	[no description available]	medium	2	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	15	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
nipecotic acid	[no description available]	medium	40	0	beta-amino acid; piperidinemonocarboxylic acid
masoprocol	[no description available]	medium	1	0	catechols; lignan; tetrol	antioxidant; ferroptosis inhibitor; geroprotector; plant metabolite
5-nitro-2-(3-phenylpropylamino)benzoic acid	[no description available]	medium	3	0	nitrobenzoic acid
ns 2028	[no description available]	medium	1	0
ns 1619	[no description available]	medium	1	0	(trifluoromethyl)benzenes; benzimidazoles; phenols	potassium channel opener
o(6)-benzylguanine	[no description available]	medium	1	0
ofloxacin	[no description available]	medium	1	0	3-oxo monocarboxylic acid; N-arylpiperazine; N-methylpiperazine; organofluorine compound; oxazinoquinoline
olomoucine	[no description available]	medium	1	0	2,6-diaminopurines; ethanolamines	EC 2.7.11.22 (cyclin-dependent kinase) inhibitor
oxaprozin	[no description available]	medium	2	0	1,3-oxazoles; monocarboxylic acid	analgesic; non-steroidal anti-inflammatory drug
oxatomide	[no description available]	medium	1	0	benzimidazoles; diarylmethane; N-alkylpiperazine	anti-allergic agent; anti-inflammatory agent; geroprotector; H1-receptor antagonist; serotonergic antagonist
oxiracetam	[no description available]	medium	1	0	organonitrogen compound; organooxygen compound
oxolinic acid	[no description available]	medium	1	0	aromatic carboxylic acid; organic heterotricyclic compound; oxacycle; quinolinemonocarboxylic acid; quinolone antibiotic	antibacterial drug; antifungal agent; antiinfective agent; antimicrobial agent; enzyme inhibitor
quinone	[no description available]	medium	1	0	1,4-benzoquinones	cofactor; human xenobiotic metabolite; mouse metabolite
fenclonine	[no description available]	medium	11	0	phenylalanine derivative
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
1,7-dimethylxanthine	[no description available]	medium	1	0	dimethylxanthine	central nervous system stimulant; human blood serum metabolite; human xenobiotic metabolite; mouse metabolite
pd 98059	[no description available]	medium	4	0	aromatic amine; monomethoxyflavone	EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor; geroprotector
pentamidine	[no description available]	medium	1	0	aromatic ether; carboxamidine; diether	anti-inflammatory agent; antifungal agent; calmodulin antagonist; chemokine receptor 5 antagonist; EC 2.3.1.48 (histone acetyltransferase) inhibitor; NMDA receptor antagonist; S100 calcium-binding protein B inhibitor; trypanocidal drug; xenobiotic
pentoxifylline	[no description available]	medium	2	0	oxopurine
perphenazine	[no description available]	medium	1	0	N-(2-hydroxyethyl)piperazine; N-alkylpiperazine; organochlorine compound; phenothiazines	antiemetic; dopaminergic antagonist; phenothiazine antipsychotic drug
phenyl biguanide	[no description available]	medium	5	0	guanidines	central nervous system drug
phenylbutazone	[no description available]	medium	1	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
phloretin	[no description available]	medium	3	0	dihydrochalcones	antineoplastic agent; plant metabolite
picotamide	[no description available]	medium	1	0	benzamides
pinacidil	[no description available]	medium	3	0	pyridines
pindolol	[no description available]	medium	5	0	indoles; secondary amine	antiglaucoma drug; antihypertensive agent; beta-adrenergic antagonist; serotonergic antagonist; vasodilator agent
piperidine-4-sulfonic acid	[no description available]	medium	13	0
piracetam	[no description available]	medium	16	0	organonitrogen compound; organooxygen compound
pirenperone	[no description available]	medium	2	0	aromatic ketone
praziquantel	[no description available]	medium	1	0	isoquinolines
primidone	[no description available]	medium	2	0	pyrimidone	anticonvulsant; environmental contaminant; xenobiotic
proglumide	[no description available]	medium	4	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
propentofylline	[no description available]	medium	1	0	oxopurine
propofol	[no description available]	medium	47	0	phenols	anticonvulsant; antiemetic; intravenous anaesthetic; radical scavenger; sedative
pf 5901	[no description available]	medium	1	0	quinolines
riluzole	[no description available]	medium	9	0	benzothiazoles
risperidone	[no description available]	medium	3	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
ritanserin	[no description available]	medium	8	0	organofluorine compound; piperidines; thiazolopyrimidine	antidepressant; antipsychotic agent; anxiolytic drug; dopaminergic antagonist; EC 3.4.21.26 (prolyl oligopeptidase) inhibitor; serotonergic antagonist
salmeterol xinafoate	[no description available]	medium	1	0	ether; phenols; primary alcohol; secondary alcohol; secondary amino compound
sb 202190	[no description available]	medium	1	0	imidazoles; organofluorine compound; phenols; pyridines	apoptosis inducer; EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor
sobuzoxane	[no description available]	medium	1	0	organic molecular entity
spiroxatrine	[no description available]	medium	1	0	imidazolidines
sq 22536	[no description available]	medium	1	0	nucleoside analogue; oxolanes	EC 4.6.1.1 (adenylate cyclase) 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
sulpiride	[no description available]	medium	28	0	benzamides; N-alkylpyrrolidine; sulfonamide	antidepressant; antiemetic; antipsychotic agent; dopaminergic antagonist
t0156	[no description available]	medium	1	0	naphthyridine derivative
1,4-bis(2-(3,5-dichloropyridyloxy))benzene	[no description available]	medium	1	0
terfenadine	[no description available]	medium	1	0	diarylmethane
tetraisopropylpyrophosphamide	[no description available]	medium	1	0	phosphoramide
thalidomide	[no description available]	medium	1	0	phthalimides; piperidones
theobromine	[no description available]	medium	4	0	dimethylxanthine	adenosine receptor antagonist; bronchodilator agent; food component; human blood serum metabolite; mouse metabolite; plant metabolite; vasodilator agent
8-(n,n-diethylamino)octyl-3,4,5-trimethoxybenzoate	[no description available]	medium	1	0	trihydroxybenzoic acid
tolazamide	[no description available]	medium	1	0	N-sulfonylurea	hypoglycemic agent; potassium channel blocker
tolbutamide	[no description available]	medium	5	0	N-sulfonylurea	human metabolite; hypoglycemic agent; insulin secretagogue; potassium channel blocker
(1,2,5,6-tetrahydropyridin-4-yl)methylphosphinic acid	[no description available]	medium	21	0
ici 136,753	[no description available]	medium	2	0	pyrazolopyridine
triamterene	[no description available]	medium	1	0	pteridines	diuretic; sodium channel blocker
trimethoprim	[no description available]	medium	1	0	aminopyrimidine; methoxybenzenes	antibacterial drug; diuretic; drug allergen; EC 1.5.1.3 (dihydrofolate reductase) inhibitor; environmental contaminant; xenobiotic
tropicamide	[no description available]	medium	1	0	acetamides
tyrphostin a9	[no description available]	medium	1	0	alkylbenzene	geroprotector
vigabatrin	[no description available]	medium	35	0	gamma-amino acid	anticonvulsant; EC 2.6.1.19 (4-aminobutyrate--2-oxoglutarate transaminase) inhibitor
8-(4-((2-aminoethyl)aminocarbonylmethyloxy)phenyl)-1,3-dipropylxanthine	[no description available]	medium	1	0
3-(5'-hydroxymethyl-2'-furyl)-1-benzylindazole	[no description available]	medium	1	0	aromatic primary alcohol; furans; indazoles	antineoplastic agent; apoptosis inducer; platelet aggregation inhibitor; soluble guanylate cyclase activator; vasodilator agent
zardaverine	[no description available]	medium	1	0	organofluorine compound; pyridazinone	anti-asthmatic drug; bronchodilator agent; EC 3.1.4.* (phosphoric diester hydrolase) inhibitor; peripheral nervous system drug
cortisone acetate	[no description available]	medium	1	0	corticosteroid hormone
corticosterone	[no description available]	medium	32	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
procaine hydrochloride	[no description available]	medium	1	0	organic molecular entity
isoproterenol hydrochloride	[no description available]	medium	1	0	catechols
histamine dihydrochloride	[no description available]	medium	1	0
carbachol	[no description available]	medium	81	0	ammonium salt; carbamate ester	cardiotonic drug; miotic; muscarinic agonist; nicotinic acetylcholine receptor agonist; non-narcotic analgesic
spironolactone	[no description available]	medium	1	0	3-oxo-Delta(4) steroid; oxaspiro compound; steroid lactone; thioester	aldosterone antagonist; antihypertensive agent; diuretic; environmental contaminant; xenobiotic
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
androsterone	[no description available]	medium	2	0	17-oxo steroid; 3alpha-hydroxy steroid; androstanoid; C19-steroid	androgen; anticonvulsant; human blood serum metabolite; human metabolite; human urinary metabolite; mouse metabolite; pheromone
promazine hydrochloride	[no description available]	medium	1	0	hydrochloride
pilocarpine hydrochloride	[no description available]	medium	3	0	hydrochloride
dimethylphenylpiperazinium iodide	[no description available]	medium	9	0	N-arylpiperazine; organic iodide salt; piperazinium salt; quaternary ammonium salt	nicotinic acetylcholine receptor agonist
pentylenetetrazole	[no description available]	medium	214	0	organic heterobicyclic compound; organonitrogen heterocyclic compound
racepinephrine hydrochloride	[no description available]	medium	1	0
(4-(m-chlorophenylcarbamoyloxy)-2-butynyl)trimethylammonium chloride	[no description available]	medium	4	0
hexamethonium bromide	[no description available]	medium	1	0
cystamine dihydrochloride	[no description available]	medium	1	0
cantharidin	[no description available]	medium	2	0	cyclic dicarboxylic anhydride; monoterpenoid	EC 3.1.3.16 (phosphoprotein phosphatase) inhibitor; herbicide
aspartic acid	[no description available]	medium	55	0	aspartate family amino acid; aspartic acid; L-alpha-amino acid; proteinogenic amino acid	Escherichia coli metabolite; mouse metabolite; neurotransmitter
glutamine	[no description available]	medium	14	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
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	30	0	carbamate ester; indole alkaloid	antidote to curare poisoning; EC 3.1.1.8 (cholinesterase) inhibitor; miotic
apomorphine	[no description available]	medium	25	0	aporphine alkaloid	alpha-adrenergic drug; antidyskinesia agent; antiparkinson drug; dopamine agonist; emetic; serotonergic drug
promethazine hydrochloride	[no description available]	medium	1	0	hydrochloride	anti-allergic agent; anticoronaviral agent; antiemetic; antipruritic drug; geroprotector; H1-receptor antagonist; local anaesthetic; sedative
bromodeoxyuridine	[no description available]	medium	9	0	pyrimidine 2'-deoxyribonucleoside	antimetabolite; antineoplastic agent
levodopa	[no description available]	high	16	1	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
levodopa	[no description available]	high	16	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
methoxamine hydrochloride	[no description available]	medium	1	0	dimethoxybenzene
papaverine hydrochloride	[no description available]	medium	2	0
bretylium tosylate	[no description available]	medium	1	0	organosulfonate salt; quaternary ammonium salt	adrenergic antagonist; anti-arrhythmia drug; antihypertensive agent
berlition	[no description available]	medium	1	0	dithiolanes; heterocyclic fatty acid; lipoic acid; thia fatty acid	cofactor; nutraceutical; prosthetic group
methacholine chloride	[no description available]	medium	3	0	quaternary ammonium salt
androstenedione	[no description available]	medium	1	0	17-oxo steroid; 3-oxo-Delta(4) steroid; androstanoid	androgen; Daphnia magna metabolite; human metabolite; mouse metabolite
colchicine	[no description available]	medium	4	0	alkaloid; colchicine	anti-inflammatory agent; gout suppressant; mutagen
yohimbine hydrochloride	[no description available]	medium	2	0
gallamine triethiodide	[no description available]	medium	12	0
cycloheximide	[no description available]	medium	9	0	antibiotic fungicide; cyclic ketone; dicarboximide; piperidine antibiotic; piperidones; secondary alcohol	anticoronaviral agent; bacterial metabolite; ferroptosis inhibitor; neuroprotective agent; protein synthesis inhibitor
egtazic acid	[no description available]	medium	41	0	diether; tertiary amino compound; tetracarboxylic acid	chelator
cycloserine	[no description available]	medium	4	0	4-amino-1,2-oxazolidin-3-one; organonitrogen heterocyclic antibiotic; organooxygen heterocyclic antibiotic; zwitterion	antiinfective agent; antimetabolite; antitubercular agent; metabolite; NMDA receptor agonist
17-alpha-hydroxyprogesterone	[no description available]	medium	1	0	17alpha-hydroxy-C21-steroid; 17alpha-hydroxy steroid; tertiary alpha-hydroxy ketone	human metabolite; metabolite; mouse metabolite; progestin
quinacrine monohydrochloride	[no description available]	medium	1	0
chlorpromazine hydrochloride	[no description available]	medium	1	0	hydrochloride; phenothiazines	anticoronaviral agent; phenothiazine antipsychotic drug
cytarabine hydrochloride	[no description available]	medium	1	0
tryptophan	[no description available]	medium	6	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
lidocaine hydrochloride	[no description available]	medium	1	0	hydrochloride	anti-arrhythmia drug; local anaesthetic
arginine	[no description available]	medium	19	0	arginine; glutamine family amino acid; L-alpha-amino acid; proteinogenic amino acid	biomarker; Escherichia coli metabolite; micronutrient; mouse metabolite; nutraceutical
rotenone	[no description available]	medium	3	0	organic heteropentacyclic compound; rotenones	antineoplastic agent; metabolite; mitochondrial NADH:ubiquinone reductase inhibitor; phytogenic insecticide; piscicide; toxin
synephrine	[no description available]	medium	1	0	ethanolamines; phenethylamine alkaloid; phenols	alpha-adrenergic agonist; plant metabolite
pyridostigmine bromide	[no description available]	medium	1	0	pyridinium salt
imipramine hydrochloride	[no description available]	medium	1	0	hydrochloride	antidepressant
neostigmine bromide	[no description available]	medium	1	0	bromide salt
edrophonium chloride	[no description available]	medium	1	0	chloride salt; quaternary ammonium salt	antidote; diagnostic agent; EC 3.1.1.8 (cholinesterase) inhibitor
suramin sodium	[no description available]	medium	1	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
pyrazolanthrone	[no description available]	medium	1	0	anthrapyrazole; aromatic ketone; cyclic ketone	antineoplastic agent; c-Jun N-terminal kinase inhibitor; geroprotector
methapyrilene hydrochloride	[no description available]	medium	1	0	hydrochloride	anti-allergic agent; carcinogenic agent; H1-receptor antagonist; sedative
tetrracaine hydrochloride	[no description available]	medium	1	0	benzoate ester
chelidamic acid	[no description available]	medium	1	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
cysteamine hydrochloride	[no description available]	medium	1	0
propantheline bromide	[no description available]	medium	1	0	xanthenes
hydralazine hydrochloride	[no description available]	medium	1	0	hydrochloride	antihypertensive agent; vasodilator agent
ethamivan	[no description available]	medium	1	0	methoxybenzenes; phenols
pargyline hydrochloride	[no description available]	medium	1	0
aminophylline	[no description available]	medium	14	0	mixture	bronchodilator agent; cardiotonic drug
azacitidine	[no description available]	medium	1	0	N-glycosyl-1,3,5-triazine; nucleoside analogue	antineoplastic agent
orphenadrine hydrochloride	[no description available]	medium	1	0	hydrochloride	antiparkinson drug; H1-receptor antagonist; muscarinic antagonist; muscle relaxant; NMDA receptor antagonist; parasympatholytic
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
benzenaminium, 4,4'-(3-oxo-1,5-pentanediyl)bis(n,n-dimethyl-n-2-propenyl-), dibromide	[no description available]	medium	1	0
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
kainic acid	[no description available]	medium	171	0	dicarboxylic acid; L-proline derivative; non-proteinogenic L-alpha-amino acid; pyrrolidinecarboxylic acid	antinematodal drug; excitatory amino acid agonist
podophyllotoxin	[no description available]	medium	2	0	furonaphthodioxole; lignan; organic heterotetracyclic compound	antimitotic; antineoplastic agent; keratolytic drug; microtubule-destabilising agent; plant metabolite; tubulin modulator
tetrahydrozoline hydrochloride	[no description available]	medium	1	0	hydrochloride	nasal decongestant; sympathomimetic agent; vasoconstrictor agent
dequalinium chloride	[no description available]	medium	1	0	organic chloride salt	antifungal agent; antineoplastic agent; antiseptic drug; mitochondrial NADH:ubiquinone reductase inhibitor
decamethonium dibromide	[no description available]	medium	1	0
amitriptyline hydrochloride	[no description available]	medium	1	0	organic tricyclic compound
naphazoline hydrochloride	[no description available]	medium	1	0	organic molecular entity
doxylamine succinate	[no description available]	medium	1	0	organic molecular entity
carbamylhydrazine monohydrochloride	[no description available]	medium	1	0	organic molecular entity
formestane	[no description available]	medium	1	0	17-oxo steroid; 3-oxo-Delta(4) steroid; enol; hydroxy steroid	antineoplastic agent; EC 1.14.14.14 (aromatase) inhibitor
debrisoquin sulfate	[no description available]	medium	1	0	organic sulfate salt
betaine hydrochloride	[no description available]	medium	1	0
bethanechol chloride	[no description available]	medium	1	0	carbamate ester; chloride salt; quaternary ammonium salt	muscarinic agonist
acetylcysteine	[no description available]	medium	3	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
Mecamylamine hydrochloride	[no description available]	medium	1	0	monoterpenoid
vinblastine	[no description available]	medium	1	0
cyproheptadine hydrochloride (anhydrous)	[no description available]	medium	1	0	hydrochloride
5 alpha-androstane-3 alpha,17 beta-diol	[no description available]	medium	1	0	androstane-3alpha,17beta-diol	Daphnia magna metabolite; human metabolite
pimozide	[no description available]	medium	5	0	benzimidazoles; heteroarylpiperidine; organofluorine compound	antidyskinesia agent; dopaminergic antagonist; first generation antipsychotic; H1-receptor antagonist; serotonergic antagonist
azetidyl-2-carboxylic acid	[no description available]	medium	2	0	azetidine-2-carboxylic acid
muscarine	[no description available]	medium	2	0
antazoline hydrochloride	[no description available]	medium	1	0
doxifluridine	[no description available]	medium	1	0	organofluorine compound; pyrimidine 5'-deoxyribonucleoside	antimetabolite; antineoplastic agent; prodrug
meclofenoxate hydrochloride	[no description available]	medium	1	0
clonidine hydrochloride	[no description available]	medium	1	0	dichlorobenzene
beclomethasone	[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; chlorinated steroid; corticosteroid; glucocorticoid; primary alpha-hydroxy ketone; tertiary alpha-hydroxy ketone	anti-asthmatic drug; anti-inflammatory drug
buthionine sulfoximine	[no description available]	medium	1	0	diastereoisomeric mixture; homocysteines; non-proteinogenic alpha-amino acid; sulfoximide	EC 6.3.2.2 (glutamate--cysteine ligase) inhibitor; ferroptosis inducer
mexiletine hydrochloride	[no description available]	medium	1	0	hydrochloride	anti-arrhythmia drug
cyclophosphamide	[no description available]	medium	1	0	hydrate	alkylating agent; antineoplastic agent; carcinogenic agent; immunosuppressive agent
suxamethonium chloride	[no description available]	medium	1	0	chloride salt	muscle relaxant
cyclobenzaprine hydrochloride	[no description available]	medium	1	0	hydrochloride	antidepressant; muscle relaxant
n-methylaspartate	[no description available]	medium	232	0	amino dicarboxylic acid; D-alpha-amino acid; D-aspartic acid derivative; secondary amino compound	neurotransmitter agent
3-deazaadenosine	[no description available]	medium	1	0
metoclopramide hydrochloride	[no description available]	medium	1	0
isoetharine mesylate	[no description available]	medium	1	0
zalcitabine	[no description available]	medium	1	0	pyrimidine 2',3'-dideoxyribonucleoside	antimetabolite; antiviral drug; HIV-1 reverse transcriptase inhibitor
propionylpromazine hydrochloride	[no description available]	medium	1	0
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
nsc-145,668	[no description available]	medium	1	0	hydrochloride	antimetabolite; antineoplastic agent
clodronic acid	[no description available]	medium	1	0	1,1-bis(phosphonic acid); one-carbon compound; organochlorine compound	antineoplastic agent; bone density conservation agent
benserazide hydrochloride	[no description available]	medium	1	0	hydrochloride	antiparkinson drug; dopaminergic agent; EC 4.1.1.28 (aromatic-L-amino-acid decarboxylase) inhibitor
pancuronium bromide	[no description available]	medium	1	0	bromide salt	cholinergic antagonist; muscle relaxant; nicotinic antagonist
tetradecanoylphorbol acetate	[no description available]	medium	6	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
danazol	[no description available]	medium	1	0	17beta-hydroxy steroid; terminal acetylenic compound	anti-estrogen; estrogen antagonist; geroprotector
metergoline	[no description available]	medium	3	0	carbamate ester; ergoline alkaloid	dopamine agonist; geroprotector; serotonergic antagonist
lisuride	[no description available]	medium	1	0	monocarboxylic acid amide	antidyskinesia agent; antiparkinson drug; dopamine agonist; serotonergic agonist
disopyramide phosphate	[no description available]	medium	1	0	organoammonium phosphate
bromocriptine	[no description available]	medium	5	0	indole alkaloid	antidyskinesia agent; antiparkinson drug; dopamine agonist; hormone antagonist
ergocristine	[no description available]	medium	1	0	ergot alkaloid
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
zidovudine	[no description available]	medium	1	0	azide; pyrimidine 2',3'-dideoxyribonucleoside	antimetabolite; antiviral drug; HIV-1 reverse transcriptase inhibitor
paclitaxel	[no description available]	medium	2	0	taxane diterpenoid; tetracyclic diterpenoid	antineoplastic agent; human metabolite; metabolite; microtubule-stabilising agent
buspirone hydrochloride	[no description available]	medium	1	0	hydrochloride	anxiolytic drug; EC 3.4.21.26 (prolyl oligopeptidase) inhibitor; sedative; serotonergic agonist
etoposide	[no description available]	medium	2	0	beta-D-glucoside; furonaphthodioxole; organic heterotetracyclic compound	antineoplastic agent; DNA synthesis inhibitor
propafenone hydrochloride	[no description available]	medium	1	0	hydrochloride	anti-arrhythmia drug
etazolate hydrochloride	[no description available]	medium	1	0
butaclamol	[no description available]	medium	1	0	amino alcohol; organic heteropentacyclic compound; tertiary alcohol; tertiary amino compound	dopaminergic antagonist
ribavirin	[no description available]	medium	1	0	1-ribosyltriazole; aromatic amide; monocarboxylic acid amide; primary carboxamide	anticoronaviral agent; antiinfective agent; antimetabolite; antiviral agent; EC 2.7.7.49 (RNA-directed DNA polymerase) inhibitor
carbidopa	[no description available]	medium	1	0	catechols; hydrate; hydrazines; monocarboxylic acid	antidyskinesia agent; antiparkinson drug; dopaminergic agent; EC 4.1.1.28 (aromatic-L-amino-acid decarboxylase) inhibitor
cephradine	[no description available]	medium	2	0	beta-lactam antibiotic allergen; cephalosporin	antibacterial drug
methyldopa	[no description available]	medium	1	0	L-tyrosine derivative; non-proteinogenic L-alpha-amino acid	alpha-adrenergic agonist; antihypertensive agent; hapten; peripheral nervous system drug; sympatholytic agent
lonidamine	[no description available]	medium	1	0	dichlorobenzene; indazoles; monocarboxylic acid	antineoplastic agent; antispermatogenic agent; EC 2.7.1.1 (hexokinase) inhibitor; geroprotector
dexibuprofen	[no description available]	medium	1	0	ibuprofen	non-narcotic analgesic; non-steroidal anti-inflammatory drug
quisqualic acid	[no description available]	medium	22	0	non-proteinogenic alpha-amino acid
pirfenidone	[no description available]	medium	1	0	pyridone	antipyretic; non-narcotic analgesic; non-steroidal anti-inflammatory drug
flecainide acetate	[no description available]	medium	1	0	acetate salt	anti-arrhythmia drug
nicardipine hydrochloride	[no description available]	medium	1	0	dihydropyridine	geroprotector
idarubicin	[no description available]	medium	1	0	anthracycline antibiotic; deoxy hexoside; monosaccharide derivative
captopril	[no description available]	medium	4	0	alkanethiol; L-proline derivative; N-acylpyrrolidine; pyrrolidinemonocarboxylic acid	antihypertensive agent; EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor
terazosin hydrochloride anhydrous	[no description available]	medium	1	0
pergolide mesylate	[no description available]	medium	1	0	methanesulfonate salt	antiparkinson drug; dopamine agonist; geroprotector
ranitidine hydrochloride	[no description available]	medium	1	0
cefaclor anhydrous	[no description available]	medium	1	0	cephalosporin	antibacterial drug; drug allergen
alo 2145	[no description available]	medium	1	0	hydrochloride	alpha-adrenergic agonist; antiglaucoma drug
enoximone	[no description available]	medium	1	0	aromatic ketone
atomoxetine	[no description available]	medium	1	0	aromatic ether; secondary amino compound; toluenes	adrenergic uptake inhibitor; antidepressant; environmental contaminant; xenobiotic
raloxifene hydrochloride	[no description available]	medium	1	0	hydrochloride	bone density conservation agent; estrogen antagonist; estrogen receptor modulator
mifepristone	[no description available]	medium	9	0	3-oxo-Delta(4) steroid; acetylenic compound; tertiary amino compound	abortifacient; contraceptive drug; hormone antagonist; synthetic oral contraceptive
quinpirole hydrochloride	[no description available]	medium	1	0
imazodan	[no description available]	medium	1	0
mibefradil dihydrochloride	[no description available]	medium	1	0
aptiganel hydrochloride	[no description available]	medium	1	0
adenosine	[no description available]	medium	74	0	adenosines; purines D-ribonucleoside	analgesic; anti-arrhythmia drug; fundamental metabolite; human metabolite; vasodilator agent
phenelzine sulfate	[no description available]	medium	1	0	organic molecular entity
fluoxetine hydrochloride	[no description available]	medium	1	0	hydrochloride; N-methyl-3-phenyl-3-[4-(trifluoromethyl)phenoxy]propan-1-amine
propranolol hydrochloride	[no description available]	medium	1	0	hydrochloride
bupropion hydrochloride	[no description available]	medium	1	0	aromatic ketone
diltiazem hydrochloride	[no description available]	medium	1	0	hydrochloride	antihypertensive agent; calcium channel blocker; vasodilator agent
trazodone hydrochloride	[no description available]	medium	2	0	hydrochloride	adrenergic antagonist; antidepressant; H1-receptor antagonist; sedative; serotonin uptake inhibitor
verapamil hydrochloride	[no description available]	medium	2	0
doxazosin mesylate	[no description available]	medium	1	0	methanesulfonate salt	geroprotector
amantadine hydrochloride	[no description available]	medium	1	0	hydrochloride	antiviral agent; dopamine agonist; NMDA receptor antagonist
mevastatin	[no description available]	medium	2	0	2-pyranones; carboxylic ester; hexahydronaphthalenes; polyketide; statin (naturally occurring)	antifungal agent; apoptosis inducer; EC 3.4.24.83 (anthrax lethal factor endopeptidase) inhibitor; fungal metabolite; Penicillium metabolite
chloroquine diphosphate	[no description available]	medium	1	0
dobutamine hydrochloride	[no description available]	medium	1	0	hydrochloride	beta-adrenergic agonist; cardiotonic drug; sympathomimetic agent
desipramine hydrochloride	[no description available]	medium	1	0	hydrochloride	drug allergen
dopamine hydrochloride	[no description available]	medium	1	0	catecholamine
proadifen hydrochloride	[no description available]	medium	1	0
4-nitrobenzylthioinosine	[no description available]	medium	2	0	purine nucleoside
metrifudil	[no description available]	medium	1	0
rutecarpine	[no description available]	medium	2	0	beta-carbolines
trihexyphenidyl hydrochloride	[no description available]	medium	1	0	aralkylamine
thioridazine hydrochloride	[no description available]	medium	1	0	hydrochloride	first generation antipsychotic; geroprotector
procainamide hydrochloride	[no description available]	medium	1	0	hydrochloride	anti-arrhythmia drug
siquil	[no description available]	medium	1	0	hydrochloride	anticoronaviral agent
sotalol hydrochloride	[no description available]	medium	1	0	hydrochloride	anti-arrhythmia drug; beta-adrenergic antagonist
oxymetazoline hydrochloride	[no description available]	medium	1	0	hydrochloride	alpha-adrenergic agonist; nasal decongestant; sympathomimetic agent; vasoconstrictor agent
alprenolol hydrochloride	[no description available]	medium	1	0	hydrochloride
2-methoxyestradiol	[no description available]	medium	1	0	17beta-hydroxy steroid; 3-hydroxy steroid	angiogenesis modulating agent; antimitotic; antineoplastic agent; human metabolite; metabolite; mouse metabolite
fluphenazine hydrochloride	[no description available]	medium	1	0	phenothiazines	anticoronaviral agent
tryptamine monohydrochloride	[no description available]	medium	1	0
clomipramine hydrochloride	[no description available]	medium	1	0	hydrochloride	anticoronaviral agent; antidepressant; serotonergic antagonist; serotonergic drug
amiloride hydrochloride	[no description available]	medium	1	0	hydrate	diuretic; sodium channel blocker
prazosin hydrochloride	[no description available]	medium	1	0	hydrochloride
mianserin hydrochloride	[no description available]	medium	1	0	hydrochloride	geroprotector
lomefloxacin hydrochloride	[no description available]	medium	1	0	hydrochloride	antimicrobial agent; antitubercular agent; photosensitizing agent
fenspiride hydrochloride	[no description available]	medium	1	0
nilverm	[no description available]	medium	1	0	organic molecular entity
sanguinarine chloride	[no description available]	medium	1	0
ropinirole hydrochloride	[no description available]	medium	1	0	indoles
plasmenylserine	[no description available]	medium	1	0	O-phosphoserine	EC 1.4.7.1 [glutamate synthase (ferredoxin)] inhibitor; EC 2.5.1.49 (O-acetylhomoserine aminocarboxypropyltransferase) inhibitor; EC 4.3.1.10 (serine-sulfate ammonia-lyase) inhibitor; Escherichia coli metabolite; human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite
5-aminovaleric acid hydrochloride	[no description available]	medium	1	0
n-acetyltryptamine	[no description available]	medium	1	0	acetamides; indoles
D-serine	[no description available]	medium	1	0	D-alpha-amino acid; serine zwitterion; serine	Escherichia coli metabolite; human metabolite; NMDA receptor agonist
dihydroergotamine mesylate	[no description available]	medium	1	0	methanesulfonate salt	non-narcotic analgesic; serotonergic agonist; vasoconstrictor agent
ranolazine hydrochloride	[no description available]	medium	1	0
loxapine succinate	[no description available]	medium	1	0	succinate salt	geroprotector
guanfacine hydrochloride	[no description available]	medium	1	0	acetamides	geroprotector
pirenzepine dihydrochloride	[no description available]	medium	1	0	hydrochloride
labetalol hydrochloride	[no description available]	medium	1	0	salicylamides
acecainide hydrochloride	[no description available]	medium	1	0
loperamide hydrochloride	[no description available]	medium	1	0	hydrochloride	anticoronaviral agent; antidiarrhoeal drug; mu-opioid receptor agonist
maprotiline hydrochloride	[no description available]	medium	1	0	anthracenes
protoporphyrin ix, disodium salt	[no description available]	medium	1	0
siguazodan	[no description available]	medium	1	0	pyridazinone
3-octadecanamido-2-ethoxypropylphosphocholine	[no description available]	medium	1	0
chelerythrine chloride	[no description available]	medium	2	0
tosyllysine chloromethyl ketone	[no description available]	medium	1	0
5-(n-methyl-n-isobutyl)amiloride	[no description available]	medium	1	0
1-(5-isoquinolinesulfonyl)-2-methylpiperazine dihydrochloride	[no description available]	medium	1	0	hydrochloride	EC 2.7.11.13 (protein kinase C) inhibitor
amperozide hydrochloride	[no description available]	medium	1	0	hydrochloride	anxiolytic drug; dopamine uptake inhibitor; geroprotector; second generation antipsychotic; serotonergic antagonist
pyrrolidine dithiocarbamic acid	[no description available]	medium	1	0
agroclavine	[no description available]	medium	1	0	ergot alkaloid
s-methylisothiourea sulfate	[no description available]	medium	1	0
p-Aminobenzamidine dihydrochloride	[no description available]	medium	1	0	organic molecular entity
benzamidine hydrochloride	[no description available]	medium	1	0
ketorolac tromethamine	[no description available]	medium	1	0	organoammonium salt	analgesic; cyclooxygenase 1 inhibitor; cyclooxygenase 2 inhibitor
methionine sulfoximine	[no description available]	medium	1	0	L-alpha-amino acid zwitterion; L-methionine derivative; methionine sulfoximine; non-proteinogenic L-alpha-amino acid	EC 6.3.1.2 (glutamate--ammonia ligase) inhibitor; geroprotector
tretazicar	[no description available]	medium	1	0
carbetapentane citrate	[no description available]	medium	1	0	carbonyl compound
phentolamine mesylate	[no description available]	medium	1	0
mephentermine	[no description available]	medium	1	0	2-aminooctadecane-1,3-diol	EC 2.7.11.13 (protein kinase C) inhibitor; human metabolite; mouse metabolite
oxybutynin hydrochloride	[no description available]	medium	1	0	hydrochloride
nimustine	[no description available]	medium	1	0	hydrochloride	antineoplastic agent
cordium	[no description available]	medium	1	0	hydrate; hydrochloride
L-2-aminoadipic acid	[no description available]	medium	1	0	2-aminoadipic acid	Escherichia coli metabolite; human metabolite
prilocaine hydrochloride	[no description available]	medium	1	0	hydrochloride	local anaesthetic
mor-14	[no description available]	medium	1	0	hydroxypiperidine; piperidine alkaloid; tertiary amino compound	anti-HIV agent; cardioprotective agent; EC 3.2.1.20 (alpha-glucosidase) inhibitor; plant metabolite
brexanolone	[no description available]	medium	1	0	3-hydroxy-5alpha-pregnan-20-one	antidepressant; GABA modulator; human metabolite; intravenous anaesthetic; sedative
hexamethonium chloride	[no description available]	medium	1	0
6-(4-nitrobenzylthio)guanosine	[no description available]	medium	1	0
3-aminopropylphosphonic acid	[no description available]	medium	6	0	phosphonic acids; primary amino compound; zwitterion	GABAB receptor agonist
5'-n-methylcarboxamideadenosine	[no description available]	medium	1	0
3,7-dimethyl-1-propargylxanthine	[no description available]	medium	3	0
zpck	[no description available]	medium	1	0
n(6)-phenyladenosine	[no description available]	medium	1	0	purine nucleoside
tetrahydrodeoxycorticosterone	[no description available]	medium	22	0	21-hydroxy steroid
n-methyladenosine	[no description available]	medium	1	0	methyladenosine
mizoribine	[no description available]	medium	1	0	imidazoles	anticoronaviral agent
1-amino-1,3-dicarboxycyclopentane	[no description available]	medium	13	0
u 73122	[no description available]	medium	6	0	aromatic ether; aza-steroid; maleimides	EC 3.1.4.11 (phosphoinositide phospholipase C) inhibitor
alphaxalone	[no description available]	medium	19	0	corticosteroid hormone
s-nitrosoglutathione	[no description available]	medium	2	0	glutathione derivative; nitrosothio compound	bronchodilator agent; nitric oxide donor; platelet aggregation inhibitor; signalling molecule
cp-55,940	[no description available]	medium	1	0
vanoxerine	[no description available]	medium	1	0	hydrochloride	dopamine uptake inhibitor
methyl 6,7-dimethoxy-4-ethyl-beta-carboline-3-carboxylate	[no description available]	medium	23	0	beta-carbolines
u 69593	[no description available]	medium	3	0	monocarboxylic acid amide; N-alkylpyrrolidine; organic heterobicyclic compound; oxaspiro compound	anti-inflammatory agent; diuretic; kappa-opioid receptor agonist
cv 3988	[no description available]	medium	1	0
beta-carboline-3-carboxylic acid methyl ester	[no description available]	medium	6	0	beta-carbolines
methoctramine	[no description available]	medium	3	0	hydrochloride	muscarinic antagonist
hypotaurine	[no description available]	medium	3	0	aminosulfinic acid; zwitterion	human metabolite; metabolite; mouse metabolite
dihydrokainate	[no description available]	medium	5	0	dicarboxylic acid
cl 218872	[no description available]	medium	8	0	pyridazines; ring assembly
betaxolol hydrochloride	[no description available]	medium	1	0	hydrochloride	antihypertensive agent; beta-adrenergic antagonist
catechin	[no description available]	medium	2	0	hydrate	geroprotector
1-(2-methoxyphenyl)-4-(4-(2-phthalimido)butyl)piperazine	[no description available]	medium	1	0	hydrobromide	serotonergic antagonist
s-methylthiocitrulline	[no description available]	medium	2	0	imidothiocarbamic ester; L-arginine derivative; L-ornithine derivative; non-proteinogenic L-alpha-amino acid	EC 1.14.13.39 (nitric oxide synthase) inhibitor; neuroprotective agent
dihydrocapsaicin	[no description available]	medium	1	0	capsaicinoid
ml 9	[no description available]	medium	2	0
parthenolide	[no description available]	medium	2	0	germacranolide
3',4'-dichlorobenzamil	[no description available]	medium	1	0	guanidines; pyrazines
1-(carboxymethylthio)tetradecane	[no description available]	medium	1	0	straight-chain fatty acid
2-iodomelatonin	[no description available]	medium	2	0	acetamides
arcaine, sulfate	[no description available]	medium	1	0
gr 113808	[no description available]	medium	3	0	indolyl carboxylate ester; piperidines; sulfonamide	serotonergic antagonist
gallopamil hydrochloride	[no description available]	medium	1	0
gamma-glutamylaminomethylsulfonic acid	[no description available]	medium	1	0
buthionine sulfoximine	[no description available]	medium	1	0	2-amino-4-(S-butylsulfonimidoyl)butanoic acid	EC 6.3.2.2 (glutamate--cysteine ligase) inhibitor; ferroptosis inducer
sb 204070a	[no description available]	medium	1	0
1-(2-(4-aminophenyl)ethyl)-4-(3-trifluoromethylphenyl)piperazine	[no description available]	medium	1	0	(trifluoromethyl)benzenes; N-alkylpiperazine; N-arylpiperazine; primary arylamine; substituted aniline	geroprotector; serotonergic agonist
l 655240	[no description available]	medium	1	0	methylindole
san 58035	[no description available]	medium	1	0
nnc 711	[no description available]	medium	15	0
4-(alpha-(4-allyl-2,5-dimethyl-1-piperazinyl)-3-methoxybenzyl)-n,n-diethylbenzamide	[no description available]	medium	2	0	diarylmethane
e 64	[no description available]	medium	2	0	dicarboxylic acid monoamide; epoxy monocarboxylic acid; guanidines; L-leucine derivative; zwitterion	antimalarial; antiparasitic agent; protease inhibitor
azetidine-2,4-dicarboxylic acid	[no description available]	medium	2	0
pre 084	[no description available]	medium	2	0	morpholines
methotrexate	[no description available]	medium	1	0	dicarboxylic acid; monocarboxylic acid amide; pteridines	abortifacient; antimetabolite; antineoplastic agent; antirheumatic drug; dermatologic drug; DNA synthesis inhibitor; EC 1.5.1.3 (dihydrofolate reductase) inhibitor; immunosuppressive agent
1-(2-allylphenoxy)-3-((8-bromoacetylamino-4-menthane-1-yl)amino)-1-propanol	[no description available]	medium	1	0
sr 2640	[no description available]	medium	1	0	quinolines
ici 204448	[no description available]	medium	1	0
4-amino-1-(6-chloro-2-pyridyl)piperidine hydrochloride	[no description available]	medium	2	0
n,n-di-n-hexyl-2-(4-fluorophenyl)indole-3-acetamide	[no description available]	medium	5	0	phenylindole
3,5-bis(trifluoromethyl)benzyl n-acetyltryptophan	[no description available]	medium	2	0
8-cyclopentyl-3-(3-((4-(fluorosulfonyl)benzoyl)oxy)propyl)-1-propylxanthine	[no description available]	medium	1	0
l 741626	[no description available]	medium	1	0	piperidines
nisoxetine hydrochloride	[no description available]	medium	1	0
ng-nitroarginine methyl ester	[no description available]	medium	1	0	hydrochloride	EC 1.14.13.39 (nitric oxide synthase) inhibitor
tilarginine acetate	[no description available]	medium	1	0
alpha-guanidinoglutaric acid	[no description available]	medium	1	0	L-glutamic acid derivative
3,4-dichloro-n-methyl-n-(2-(1-pyrrolidinyl)cyclohexyl)-benzeneacetamide, (trans)-(+-)-isomer	[no description available]	medium	1	0
imidazole-4-acetic acid hydrochloride	[no description available]	medium	1	0
nsc-141549	[no description available]	medium	1	0
2-chloro-2-deoxyglucose	[no description available]	medium	1	0
idazoxan hydrochloride	[no description available]	medium	1	0
isoguvacine hydrochloride	[no description available]	medium	1	0
8-methoxymethyl-3-isobutyl-1-methylxanthine	[no description available]	medium	1	0	oxopurine
cyc 202	[no description available]	medium	2	0	2,6-diaminopurines	antiviral drug; EC 2.7.11.22 (cyclin-dependent kinase) inhibitor
Serotonin hydrochloride	[no description available]	medium	1	0	tryptamines
n-phthaloylglutamic acid	[no description available]	medium	1	0	L-glutamic acid derivative; phthalimides
1,3-dipropyl-7-methylxanthine	[no description available]	medium	1	0
ag 3-5	[no description available]	medium	1	0	C-nitro compound
n-n-propylnorapomorphine	[no description available]	medium	1	0	aporphine alkaloid
urapidil monohydrochloride	[no description available]	medium	1	0
aminopterin	[no description available]	medium	1	0	dicarboxylic acid	EC 1.5.1.3 (dihydrofolate reductase) inhibitor; mutagen
azepexole, dihydrochloride	[no description available]	medium	1	0
2,5-dimethoxy-4-iodoamphetamine hydrochloride	[no description available]	medium	1	0
abt 980	[no description available]	medium	1	0
sk&f 75670	[no description available]	medium	1	0
esatenolol	[no description available]	medium	1	0	atenolol	beta-adrenergic antagonist
nbi 27914	[no description available]	medium	1	0	dialkylarylamine; tertiary amino compound
sb 216763	[no description available]	medium	1	0	indoles; maleimides
(R)-atenolol	[no description available]	medium	1	0	atenolol
memantine hydrochloride	[no description available]	medium	1	0	hydrochloride	antidepressant; antiparkinson drug; dopaminergic agent; neuroprotective agent; NMDA receptor antagonist
pefabloc	[no description available]	medium	1	0
pongidae	[no description available]	medium	1	0
succinylproline	[no description available]	medium	1	0	N-acyl-amino acid
sb 205384	[no description available]	medium	1	0	thienopyridine
hydrastine	[no description available]	medium	4	0	isoquinolines	metabolite
gabaculine hydrochloride	[no description available]	medium	1	0
etiron monohydrobromide	[no description available]	medium	1	0
bmy 7378	[no description available]	medium	1	0
vesamicol	[no description available]	medium	1	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
vincristine sulfate	[no description available]	medium	2	0	organic sulfate salt	antineoplastic agent; geroprotector
n-methylserotonin oxalate salt	[no description available]	medium	1	0
nsc 95397	[no description available]	medium	1	0	1,4-naphthoquinones
wortmannin	[no description available]	medium	4	0	acetate ester; cyclic ketone; delta-lactone; organic heteropentacyclic compound	anticoronaviral agent; antineoplastic agent; autophagy inhibitor; EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor; geroprotector; Penicillium metabolite; radiosensitizing agent
lithium chloride	[no description available]	medium	2	0	inorganic chloride; lithium salt	antimanic drug; geroprotector
canavanine	[no description available]	medium	1	0	amino acid zwitterion; non-proteinogenic L-alpha-amino acid	phytogenic insecticide; plant metabolite
5-hydroxytryptophan	[no description available]	medium	1	0	5-hydroxytryptophan; amino acid zwitterion; hydroxy-L-tryptophan; non-proteinogenic L-alpha-amino acid	human metabolite; mouse metabolite; plant metabolite
ouabain	[no description available]	medium	15	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
tosylphenylalanyl chloromethyl ketone	[no description available]	medium	1	0	alpha-chloroketone; sulfonamide	alkylating agent; serine proteinase inhibitor
monoiodotyrosine	[no description available]	medium	1	0	amino acid zwitterion; L-tyrosine derivative; monoiodotyrosine; non-proteinogenic L-alpha-amino acid	EC 1.14.16.2 (tyrosine 3-monooxygenase) inhibitor; human metabolite; mouse metabolite
nitroarginine	[no description available]	medium	13	0	guanidines; L-arginine derivative; N-nitro compound; non-proteinogenic L-alpha-amino acid
willardiine	[no description available]	medium	1	0	amino acid zwitterion; L-alanine derivative; non-proteinogenic L-alpha-amino acid
cortodoxone	[no description available]	medium	1	0	deoxycortisol; glucocorticoid; primary alpha-hydroxy ketone; tertiary alpha-hydroxy ketone	human metabolite; mouse metabolite
amiodarone hydrochloride	[no description available]	medium	1	0	aromatic ketone
dicyclomine hydrochloride	[no description available]	medium	1	0	hydrochloride	antispasmodic drug; muscarinic antagonist
metyrosine	[no description available]	medium	1	0	L-tyrosine derivative; non-proteinogenic L-alpha-amino acid	antihypertensive agent; EC 1.14.16.2 (tyrosine 3-monooxygenase) inhibitor
nortriptyline hydrochloride	[no description available]	medium	2	0	organic tricyclic compound	geroprotector
paromomycin sulfate	[no description available]	medium	1	0
Dubinidine	[no description available]	medium	2	0	organic heterotricyclic compound; organonitrogen heterocyclic compound; oxacycle
cyclopamine	[no description available]	medium	2	0	piperidines	glioma-associated oncogene inhibitor
s-(4-azidophenacyl)glutathione	[no description available]	medium	1	0	peptide
hydroxylamine hydrochloride	[no description available]	medium	1	0	organic molecular entity
sb 228357	[no description available]	medium	1	0	indolyl carboxylic acid
3,5-dihydroxyphenylglycine	[no description available]	medium	1	0	amino acid zwitterion; non-proteinogenic L-alpha-amino acid; resorcinols
actinonin	[no description available]	medium	1	0
vinpocetine	[no description available]	medium	2	0	alkaloid	geroprotector
dihydroergocristine monomesylate	[no description available]	medium	2	0	methanesulfonate salt	alpha-adrenergic antagonist; geroprotector; vasodilator agent
tretinoin	[no description available]	medium	6	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
resveratrol	[no description available]	medium	2	0	resveratrol	antioxidant; phytoalexin; plant metabolite; quorum sensing inhibitor; radical scavenger
oleic acid	[no description available]	medium	1	0	octadec-9-enoic acid	antioxidant; Daphnia galeata metabolite; EC 3.1.1.1 (carboxylesterase) inhibitor; Escherichia coli metabolite; mouse metabolite; plant metabolite; solvent
thapsigargin	[no description available]	medium	12	0	butyrate ester; organic heterotricyclic compound; sesquiterpene lactone	calcium channel blocker; EC 3.6.3.8 (Ca(2+)-transporting ATPase) inhibitor
brivudine	[no description available]	medium	1	0
5,11-diethyl-5,6,11,12-tetrahydrochrysene-2,8-diol	[no description available]	medium	1	0	carbotetracyclic compound; polyphenol	estrogen receptor agonist; estrogen receptor antagonist; geroprotector; neuroprotective agent
2-amino-3-(5-tert-butyl-3-(phosphonomethoxy)-4-isoxazolyl)propionic acid	[no description available]	medium	1	0
adenosine-5'-(n-ethylcarboxamide)	[no description available]	medium	2	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
L-cycloserine	[no description available]	medium	2	0	4-amino-1,2-oxazolidin-3-one	anti-HIV agent; anticonvulsant; EC 2.3.1.50 (serine C-palmitoyltransferase) inhibitor
1,4-dideoxy-1,4-imino-d-arabinitol	[no description available]	medium	1	0
purvalanol a	[no description available]	medium	1	0	purvalanol
melphalan	[no description available]	medium	1	0	L-phenylalanine derivative; nitrogen mustard; non-proteinogenic L-alpha-amino acid; organochlorine compound	alkylating agent; antineoplastic agent; carcinogenic agent; drug allergen; immunosuppressive agent
isoliquiritigenin	[no description available]	medium	1	0	chalcones	antineoplastic agent; biological pigment; EC 1.14.18.1 (tyrosinase) inhibitor; GABA modulator; geroprotector; metabolite; NMDA receptor antagonist
gw9662	[no description available]	medium	1	0	benzamides
calmidazolium	[no description available]	medium	1	0	organic chloride salt	apoptosis inducer; calmodulin antagonist
tropisetron hydrochloride	[no description available]	medium	1	0
Reactive blue 2	[no description available]	medium	1	0	anthraquinone
5,6-dichloro-1-ethyl-1,3-dihydro-2h-benzimidazol-2-one	[no description available]	medium	1	0	dichlorobenzene
quinidine sulfate	[no description available]	medium	1	0
ipratropium bromide anhydrous	[no description available]	medium	1	0
methamilane methiodide	[no description available]	medium	1	0
pilocarpine nitrate	[no description available]	medium	1	0
r 59949	[no description available]	medium	1	0	diarylmethane
n(6)-cyclopentyladenosine	[no description available]	medium	7	0
methylatropine nitrate	[no description available]	medium	1	0
sb 366791	[no description available]	medium	2	0
ag-213	[no description available]	medium	1	0
3,3',4,5'-tetrahydroxystilbene	[no description available]	medium	2	0	catechols; polyphenol; resorcinols; stilbenol	antineoplastic agent; apoptosis inducer; geroprotector; hypoglycemic agent; plant metabolite; protein kinase inhibitor; tyrosine kinase inhibitor
bemesetron	[no description available]	medium	4	0
(S)-(-)-pindolol	[no description available]	medium	1	0	pindolol
levosulpiride	[no description available]	medium	1	0	sulpiride	antidepressant; antiemetic; antipsychotic agent; dopaminergic antagonist
caffeic acid	[no description available]	medium	2	0	caffeic acid	geroprotector; mouse metabolite
4-fluorophenyl-L-alanine	[no description available]	medium	1	0	4-fluorophenylalanine; L-phenylalanine derivative; non-proteinogenic L-alpha-amino acid
urocanic acid	[no description available]	medium	1	0	urocanic acid	human metabolite
cotinine	[no description available]	medium	2	0	N-alkylpyrrolidine; pyridines; pyrrolidin-2-ones; pyrrolidine alkaloid	antidepressant; biomarker; human xenobiotic metabolite; plant metabolite
sulindac	[no description available]	medium	1	0	monocarboxylic acid; organofluorine compound; sulfoxide	analgesic; antineoplastic agent; antipyretic; apoptosis inducer; EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor; non-narcotic analgesic; non-steroidal anti-inflammatory drug; prodrug; tocolytic agent
cysteine sulfinic acid	[no description available]	medium	1	0	organosulfinic acid; S-substituted L-cysteine	Escherichia coli metabolite; human metabolite; metabotropic glutamate receptor agonist; mouse metabolite
d-ap7	[no description available]	medium	1	0
(1R,2S)-tranylcypromine hydrochloride	[no description available]	medium	1	0	hydrochloride
tacrine hydrochloride	[no description available]	medium	1	0
4-bromotetramisole, oxalate (1:1), salt(s)-isomer	[no description available]	medium	1	0
3-hydroxybenzylhydrazine hydrochloride	[no description available]	medium	1	0
1-(3-chlorophenyl)biguanide hydrochloride	[no description available]	medium	1	0
4-chlorophenylalanine methyl ester, hydrochloride, (dl)-isomer	[no description available]	medium	1	0
capsazepine	[no description available]	medium	2	0	benzazepine; catechols; monochlorobenzenes; thioureas	capsaicin receptor antagonist
diphenyleneiodium chloride	[no description available]	medium	1	0	organic chloride salt	EC 1.6.3.1. [NAD(P)H oxidase (H2O2-forming)] inhibitor; G-protein-coupled receptor agonist
azetidine-2,4-dicarboxylic acid, (cis)-isomer	[no description available]	medium	1	0
tamoxifen citrate	[no description available]	medium	2	0	citrate salt	angiogenesis inhibitor; anticoronaviral agent
pimagedine hydrochloride	[no description available]	medium	1	0
Betaine Aldehyde Chloride	[no description available]	medium	1	0	quaternary ammonium salt
eskazine	[no description available]	medium	2	0
monastrol	[no description available]	medium	1	0	enoate ester; ethyl ester; phenols; racemate; thioureas	antileishmanial agent; antimitotic; antineoplastic agent; EC 3.5.1.5 (urease) inhibitor
u 0126	[no description available]	medium	3	0	aryl sulfide; dinitrile; enamine; substituted aniline	antineoplastic agent; antioxidant; apoptosis inducer; EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor; osteogenesis regulator; vasoconstrictor agent
4-diphenylacetoxy-n-methylpiperidine methiodide	[no description available]	medium	1	0	iodide salt; quaternary ammonium salt	cholinergic antagonist; muscarinic antagonist
1-(4-hydroxybenzyl)imidazole-2-thiol	[no description available]	medium	1	0
2-chloro-n(6)-(3-iodobenzyl)adenosine-5'-n-methyluronamide	[no description available]	medium	1	0
bp 897	[no description available]	medium	1	0	naphthalenecarboxamide
trequinsin hydrochloride	[no description available]	medium	1	0
neboglamine	[no description available]	medium	1	0
benzatropine methanesulfonate	[no description available]	medium	1	0
sb 203186	[no description available]	medium	1	0	indolyl carboxylic acid
n-(1-methyl-5-indolyl)-n'-(3-methyl-5-isothiazolyl)urea	[no description available]	medium	1	0	1,2-thiazoles; indoles; ureas	receptor modulator; serotonergic antagonist
gw 7647	[no description available]	medium	1	0	aryl sulfide; monocarboxylic acid; ureas	PPARalpha agonist
ro 41-0960	[no description available]	medium	1	0
cgp 13501	[no description available]	medium	1	0	alkylbenzene
n-(2-(4-(4-chlorophenyl)piperazin-1-yl)ethyl)-3-methoxybenzamide	[no description available]	medium	1	0
brl 15572	[no description available]	medium	1	0	monochlorobenzenes; N-alkylpiperazine; N-arylpiperazine; secondary alcohol	geroprotector; serotonergic antagonist
mrs 1523	[no description available]	medium	1	0
or486	[no description available]	medium	1	0
fg 9041	[no description available]	medium	102	0	quinoxaline derivative
iik7	[no description available]	medium	1	0
sb 415286	[no description available]	medium	1	0	C-nitro compound; maleimides; monochlorobenzenes; phenols; secondary amino compound; substituted aniline	antioxidant; apoptosis inducer; EC 2.7.11.26 (tau-protein kinase) inhibitor; neuroprotective agent
dm 235	[no description available]	medium	1	0
jhw 015	[no description available]	medium	1	0	indolecarboxamide
bw 723c86	[no description available]	medium	1	0	tryptamines
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
sc-19220	[no description available]	medium	1	0	aromatic ether
le 300	[no description available]	medium	1	0	indoles
ly 367265	[no description available]	medium	1	0	dihydropyridine; fluoroindole; tertiary amino compound; thiadiazoloquinoline	antidepressant; geroprotector; serotonergic antagonist; serotonin uptake inhibitor
diclofenac sodium	[no description available]	medium	1	0	organic sodium salt
cgp 7930	[no description available]	medium	2	0	alkylbenzene
1,3,5-tris(4-hydroxyphenyl)-4-propyl-1h-pyrazole	[no description available]	medium	1	0	phenols; pyrazoles	estrogen receptor agonist
sib 1757	[no description available]	medium	1	0
sphingosine	[no description available]	medium	3	0	sphing-4-enine	human metabolite; mouse metabolite
apigenin	[no description available]	medium	2	0	trihydroxyflavone	antineoplastic agent; metabolite
luteolin	[no description available]	medium	2	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
daphnetin	[no description available]	medium	1	0	hydroxycoumarin
genistein	[no description available]	medium	2	0	7-hydroxyisoflavones	antineoplastic agent; EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor; geroprotector; human urinary metabolite; phytoestrogen; plant metabolite; tyrosine kinase inhibitor
pulmicort	[no description available]	medium	1	0	11beta-hydroxy steroid; 20-oxo steroid; 21-hydroxy steroid; 3-oxo-Delta(1),Delta(4)-steroid; cyclic acetal; glucocorticoid; primary alpha-hydroxy ketone	anti-inflammatory drug; bronchodilator agent; drug allergen
timolol maleate	[no description available]	medium	1	0	maleate salt	anti-arrhythmia drug; antiglaucoma drug; antihypertensive agent; beta-adrenergic antagonist
brompheniramine maleate	[no description available]	medium	1	0	maleate salt	anti-allergic agent
chlorpheniramine maleate	[no description available]	medium	1	0	organic molecular entity
clemastine fumarate	[no description available]	medium	1	0	fumarate salt	anti-allergic agent; antipruritic drug; H1-receptor antagonist; muscarinic antagonist
methylergonovine maleate	[no description available]	medium	1	0	ergoline alkaloid	geroprotector
astaxanthine	[no description available]	medium	1	0	carotenol; carotenone	animal metabolite; anticoagulant; antioxidant; food colouring; plant metabolite
harman	[no description available]	medium	1	0	harmala alkaloid; indole alkaloid fundamental parent; indole alkaloid	anti-HIV agent; EC 1.4.3.4 (monoamine oxidase) inhibitor; plant metabolite
morin	[no description available]	medium	2	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
myricetin	[no description available]	medium	2	0	7-hydroxyflavonol; hexahydroxyflavone	antineoplastic agent; antioxidant; cyclooxygenase 1 inhibitor; food component; geroprotector; hypoglycemic agent; plant metabolite
daidzein	[no description available]	medium	2	0	7-hydroxyisoflavones	antineoplastic agent; EC 2.7.7.7 (DNA-directed DNA polymerase) inhibitor; EC 3.2.1.20 (alpha-glucosidase) inhibitor; phytoestrogen; plant metabolite
caffeic acid phenethyl ester	[no description available]	medium	2	0	alkyl caffeate ester	anti-inflammatory agent; antibacterial agent; antineoplastic agent; antioxidant; antiviral agent; immunomodulator; metabolite; neuroprotective agent
rottlerin	[no description available]	medium	3	0	aromatic ketone; benzenetriol; chromenol; enone; methyl ketone	anti-allergic agent; antihypertensive agent; antineoplastic agent; apoptosis inducer; K-ATP channel agonist; metabolite
flupenthixol	[no description available]	medium	1	0	flupenthixol	dopaminergic antagonist
n-oleoyldopamine	[no description available]	medium	1	0	catechols; fatty amide; N-(fatty acyl)-dopamine; secondary carboxamide	TRPV1 agonist
pheniramine maleate	[no description available]	medium	1	0	organic molecular entity
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
trimipramine maleate	[no description available]	medium	1	0	maleate salt	antidepressant
isotretinoin	[no description available]	medium	2	0	retinoic acid	antineoplastic agent; keratolytic drug; teratogenic agent
xylometazoline hydrochloride	[no description available]	medium	1	0
flunarizine hydrochloride	[no description available]	medium	1	0	diarylmethane
ketotifen fumarate	[no description available]	medium	1	0	organoammonium salt	anti-asthmatic drug; H1-receptor antagonist
cis-flupenthixol dihydrochloride	[no description available]	medium	1	0	hydrochloride	geroprotector
n-arachidonylglycine	[no description available]	medium	1	0	fatty amide; N-acylglycine
n-oleoylethanolamine	[no description available]	medium	1	0	endocannabinoid; N-(long-chain-acyl)ethanolamine; N-acylethanolamine 18:1	EC 3.5.1.23 (ceramidase) inhibitor; geroprotector; PPARalpha agonist
cyclosporine	[no description available]	medium	2	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
phenoxybenzamine hydrochloride	[no description available]	medium	1	0	organic molecular entity
phenylephrine hydrochloride	[no description available]	medium	2	0	hydrochloride
mepyramine maleate	[no description available]	medium	1	0
brefeldin a	[no description available]	medium	3	0	macrolide antibiotic	Penicillium metabolite
fenretinide	[no description available]	medium	1	0	monocarboxylic acid amide; retinoid	antineoplastic agent; antioxidant
4-(2-(5,6,7,8-tetrahydro-5,5,8,8-tetramethyl-2-naphthalenyl)-1-propenyl)benzoic acid	[no description available]	medium	1	0	benzoic acids; naphthalenes; retinoid	antineoplastic agent; retinoic acid receptor agonist; teratogenic agent
l-2-(carboxypropyl)glycine	[no description available]	medium	1	0
4-aminocrotonic acid	[no description available]	medium	12	0
denopamine	[no description available]	medium	1	0	dimethoxybenzene
l 655,708	[no description available]	medium	1	0
ro 41-1049	[no description available]	medium	1	0
sb 200646a	[no description available]	medium	1	0
seglitide	[no description available]	medium	1	0
sib 1893	[no description available]	medium	1	0
su 6656	[no description available]	medium	1	0
tyrphostin ag 555	[no description available]	medium	1	0
tyrphostin ag-494	[no description available]	medium	1	0
tyrphostin b44	[no description available]	medium	1	0
ag-490	[no description available]	medium	1	0	catechols; enamide; monocarboxylic acid amide; nitrile; secondary carboxamide	anti-inflammatory agent; antioxidant; apoptosis inducer; EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor; geroprotector; STAT3 inhibitor
ag 112	[no description available]	medium	1	0
ag 183	[no description available]	medium	1	0
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
8-(3-chlorostyryl)caffeine	[no description available]	medium	3	0	monochlorobenzenes; trimethylxanthine	adenosine A2A receptor antagonist; EC 1.4.3.4 (monoamine oxidase) inhibitor
bay 11-7085	[no description available]	medium	1	0	benzenes; nitrile; sulfone	anti-inflammatory agent; antibacterial agent; antineoplastic agent; apoptosis inducer; autophagy inducer; EC 2.7.11.10 (IkappaB kinase) inhibitor; ferroptosis inducer; NF-kappaB inhibitor
molsidomine	[no description available]	medium	1	0	ethyl ester; morpholines; oxadiazole; zwitterion	antioxidant; apoptosis inhibitor; cardioprotective agent; nitric oxide donor; vasodilator agent
diamide	[no description available]	medium	1	0	1,1'-azobis(N,N-dimethylformamide)
nomifensine maleate	[no description available]	medium	1	0
nalbuphine hydrochloride	[no description available]	medium	1	0	hydrochloride
isoalloxazine	[no description available]	medium	1	0	benzo[g]pteridine-2,4-dione
vinblastine sulfate	[no description available]	medium	2	0
n-methylscopolamine bromide	[no description available]	medium	1	0
dextromethorphan hydrobromide	[no description available]	medium	1	0	hydrate; hydrobromide
naloxone hydrochloride	[no description available]	medium	1	0	hydrochloride	antidote to opioid poisoning; central nervous system depressant; mu-opioid receptor antagonist
s-trans,trans-farnesylthiosalicylic acid	[no description available]	medium	1	0	sesquiterpenoid
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
naltrexone hydrochloride	[no description available]	medium	1	0	hydrochloride	antidote to opioid poisoning; central nervous system depressant; mu-opioid receptor antagonist
guanabenz acetate	[no description available]	medium	1	0	dichlorobenzene	geroprotector
nylidrin hydrochloride	[no description available]	medium	1	0	alkylbenzene
triprolidine hydrochloride anhydrous	[no description available]	medium	1	0	hydrochloride	H1-receptor antagonist
famotidine	[no description available]	medium	1	0	1,3-thiazoles; guanidines; sulfonamide	anti-ulcer drug; H2-receptor antagonist; P450 inhibitor
fenoterol	[no description available]	medium	1	0	hydrobromide	beta-adrenergic agonist; bronchodilator agent; sympathomimetic agent
tiapridex	[no description available]	medium	1	0	benzamides
quipazine maleate	[no description available]	medium	1	0
n-(2-aminoethyl)-4-chlorobenzamide hydrochloride	[no description available]	medium	1	0
tulobuterol hydrochloride	[no description available]	medium	1	0	organic molecular entity
hp 029	[no description available]	medium	1	0
n,n,n-trimethyl-1-(4-stilbenoxy)-2-propylammonium iodide	[no description available]	medium	1	0
6-(bromomethylene)tetrahydro-3-(1-naphthaleneyl)-2h-pyran-2-one	[no description available]	medium	1	0	naphthalenes
nf023	[no description available]	medium	1	0
nf 449	[no description available]	medium	1	0
7-chloro-4-hydroxy-2-phenyl-1,8-naphthyridine	[no description available]	medium	1	0
gr 46611	[no description available]	medium	1	0
diacetylmonoxime	[no description available]	medium	1	0
homatropine hydrobromide, (endo-(+-)-isomer)	[no description available]	medium	2	0
vancomycin hydrochloride	[no description available]	medium	1	0
moxisylyte hydrochloride	[no description available]	medium	1	0	monoterpenoid
dizocilpine maleate	[no description available]	medium	95	0	maleate salt; tetracyclic antidepressant	anaesthetic; anticonvulsant; neuroprotective agent; nicotinic antagonist; NMDA receptor antagonist
beta-aminopropionitrile fumarate	[no description available]	medium	1	0
flupirtine	[no description available]	medium	1	0
zimelidine hydrochloride	[no description available]	medium	1	0
pregna-4,17-diene-3,16-dione, (17z)-isomer	[no description available]	medium	1	0
su 4312	[no description available]	medium	1	0
gw 1929	[no description available]	medium	1	0	benzophenones
protriptyline hydrochloride	[no description available]	medium	1	0	hydrochloride	antidepressant
n(4)-chloroacetylcytosine arabinoside	[no description available]	medium	1	0
n-(3-(cyclohexylidene-(1h-imidazol-4-ylmethyl))phenyl)ethanesulfonamide	[no description available]	medium	1	0
n-(4-amino-2-chlorophenyl)phthalimide	[no description available]	medium	1	0
cb 34	[no description available]	medium	1	0
b 43	[no description available]	medium	1	0	aromatic amine; aromatic ether; cyclopentanes; primary amino compound; pyrrolopyrimidine	EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor; geroprotector
(8R)-7-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-2,13,14-triol	[no description available]	medium	1	0	aporphine alkaloid
(8R)-7-propyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-2,13,14-triol	[no description available]	medium	1	0	aporphine alkaloid
3-(6-chloro-3-pyridazinyl)-3,8-diazabicyclo(3.2.1)octane	[no description available]	medium	1	0
2-(3,3-diphenylpropylamino)acetamide	[no description available]	medium	1	0	diarylmethane
4-(2-(phenylsulfonylamino)ethylthio)-2,6-difluorophenoxyacetamide	[no description available]	medium	2	0
gw2974	[no description available]	medium	1	0	pyridopyrimidine
l 162313	[no description available]	medium	1	0
l-165041	[no description available]	medium	1	0	aromatic ketone
mrs 1754	[no description available]	medium	1	0	oxopurine
s-nitroso-n-acetylpenicillamine	[no description available]	medium	3	0	nitroso compound; nitrosothio compound	nitric oxide donor; vasodilator agent
pd 404182	[no description available]	medium	1	0
sb 222200	[no description available]	medium	1	0	quinolines
dantrolene sodium	[no description available]	medium	1	0
cr 2945	[no description available]	medium	1	0
sb 218795	[no description available]	medium	1	0	quinolines
dihydroceramide	[no description available]	medium	1	0	N-acylsphinganine
epinephrine bitartrate	[no description available]	medium	1	0
bicuculline methobromide	[no description available]	medium	20	0
butylscopolammonium bromide	[no description available]	medium	3	0
butaclamol hydrochloride	[no description available]	medium	1	0
a 38503	[no description available]	medium	1	0
8-hydroxy-2-(di-n-propylamino)tetralin hydrobromide	[no description available]	medium	1	0
sk&f 89976-a	[no description available]	medium	1	0
cv 1808	[no description available]	medium	2	0	purine nucleoside
fluvoxamine maleate	[no description available]	medium	1	0	(trifluoromethyl)benzenes
naloxone benzoylhydrazone	[no description available]	medium	1	0
2-methyl-6-(phenylethynyl)pyridine hydrochloride	[no description available]	medium	1	0	hydrochloride	anxiolytic drug; metabotropic glutamate receptor antagonist
amiprilose	[no description available]	medium	1	0
(R)-fluoxetine hydrochloride	[no description available]	medium	1	0	hydrochloride	antidepressant; serotonin uptake inhibitor
desmethylselegiline hydrochloride	[no description available]	medium	1	0
3-morpholino-sydnonimine monohydrochloride	[no description available]	medium	1	0
t 1032	[no description available]	medium	1	0
qx-314 bromide	[no description available]	medium	1	0
(S)-fluoxetine hydrochloride	[no description available]	medium	1	0	hydrochloride	antidepressant; serotonin uptake inhibitor
sr 59230a	[no description available]	medium	1	0
u 74389g	[no description available]	medium	1	0
1-(2-methoxyphenyl)piperazine hydrochloride	[no description available]	medium	1	0
y 27632, dihydrochloride, (4(r)-trans)-isomer	[no description available]	medium	1	0
noscapine hydrochloride	[no description available]	medium	1	0
a 77636	[no description available]	medium	1	0	hydrochloride	antiparkinson drug; dopamine agonist
cgp 20712a	[no description available]	medium	1	0
levodopa methyl ester hydrochloride	[no description available]	medium	1	0
benalfocin hydrochloride	[no description available]	medium	1	0
lu 19005	[no description available]	medium	1	0
benoxathian hydrochloride	[no description available]	medium	1	0
((2-n-butyl-6,7-dichloro-2-cyclopentyl-2,3-dihydro-1-oxo-1h-inden-5-yl)oxy)acetic acid, (+)-isomer	[no description available]	medium	1	0
n-cyclopropyl adenosine-5'-carboxamide	[no description available]	medium	1	0
cefotaxime sodium	[no description available]	medium	1	0	organic sodium salt
calpain inhibitor iii	[no description available]	medium	1	0
GR 127935 hydrochloride	[no description available]	medium	1	0	hydrochloride	serotonergic antagonist
mrs 1845	[no description available]	medium	1	0
1-aminocyclopropane-1-carboxylic acid hydrochloride	[no description available]	medium	1	0
alaproclate hydrochloride	[no description available]	medium	1	0
ubenimex	[no description available]	medium	1	0	peptide
3-chloroalanine hydrochloride, (l-ala)-isomer	[no description available]	medium	1	0
dsp 4 hydrochloride	[no description available]	medium	1	0
calcimycin	[no description available]	medium	6	0	benzoxazole
(2-(2',6'-dimethoxy)phenoxyethylamino)methylbenzodioxan hydrochloride	[no description available]	medium	1	0	hydrochloride	alpha-adrenergic antagonist
2-cyclooctyl-2-hydroxyethylamine hydrochloride	[no description available]	medium	1	0
cirazoline monohydrochloride	[no description available]	medium	1	0
adtn	[no description available]	medium	1	0
apocodeine hydrochloride, (r)-isomer	[no description available]	medium	1	0
Dihydro-beta-erythroidine hydrobromide	[no description available]	medium	1	0	indoles
lilly 78335	[no description available]	medium	1	0
efaroxan hydrochloride	[no description available]	medium	1	0
fenoldopam hydrobromide	[no description available]	medium	1	0
1-[2-(benzhydryloxy)ethyl]-4-(3-phenylpropyl)piperazine dihydrochloride	[no description available]	medium	1	0	hydrochloride	dopamine uptake inhibitor
guvacine hydrochloride	[no description available]	medium	1	0
7-hydroxy-2-n,n-dipropylaminotetralin hydrobromide	[no description available]	medium	1	0
8-hydroxy-2-(di-n-propylamino)tetralin hydrobromide, (r)-isomer,	[no description available]	medium	1	0	organic molecular entity
1-(2-(4-(4-fluoro-benzoyl)-piperidin-1-yl)-ethyl)-3,3-dimethyl-1,2-dihydro-indol-2-one	[no description available]	medium	1	0	hydrochloride	receptor modulator; serotonergic antagonist
4-iodoclonidine	[no description available]	medium	1	0
4-methylpyrazole monohydrochloride	[no description available]	medium	1	0
tele-methylhistamine	[no description available]	medium	1	0
alpha-methyltyrosine methyl ester, monohydrochloride	[no description available]	medium	1	0
octoclothepine maleate	[no description available]	medium	1	0
2-(n-phenethyl-n-propyl)amino-5-hydroxytetralin hydrochloride	[no description available]	medium	1	0
du 24565	[no description available]	medium	1	0
2-methoxyidazoxan hydrochloride	[no description available]	medium	1	0
ro 25-6981	[no description available]	medium	1	0
sk&f 77434	[no description available]	medium	1	0	hydrobromide	dopamine agonist; prodrug
3-[(6aR,9R,10aR)-7-methyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline-9-yl]-1,1-diethylurea	[no description available]	medium	1	0	organic heterotetracyclic compound; organonitrogen heterocyclic compound
demethylcantharidin	[no description available]	medium	1	0
atropine sulfate	[no description available]	medium	2	0
1-deoxynojirimycin hydrochloride	[no description available]	medium	1	0
win 62577	[no description available]	medium	1	0
quinine sulfate	[no description available]	medium	1	0	hydrate
quercetin	[no description available]	medium	1	0
rv 538, (r-(r,r))-isomer	[no description available]	medium	1	0
3,4-dichloro-n-methyl-n-(2-(1-pyrrolidinyl)cyclohexyl)-benzeneacetamide, (1s-cis)-isomer	[no description available]	medium	1	0
valproate sodium	[no description available]	medium	1	0	organic sodium salt	geroprotector
u 63557a	[no description available]	medium	1	0
taurocholic acid, monosodium salt	[no description available]	medium	1	0	bile salt
cefmetazole sodium	[no description available]	medium	1	0	organic sodium salt	antimicrobial agent
fusidate sodium	[no description available]	medium	1	0
cephapirin sodium	[no description available]	medium	1	0	cephalosporin; organic sodium salt	antibacterial drug
sodium cephalothin	[no description available]	medium	1	0	organic sodium salt
cefazolin sodium	[no description available]	medium	1	0	organic sodium salt
5-hydroxydecanoic acid, monosodium salt	[no description available]	medium	1	0
ro13-9904	[no description available]	medium	1	0
phenytoin sodium	[no description available]	medium	1	0
cr 1409	[no description available]	medium	1	0
cortisol succinate, sodium salt	[no description available]	medium	1	0	organic molecular entity
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
lfm a13	[no description available]	medium	1	0	aromatic amide; dibromobenzene; enamide; enol; nitrile; secondary carboxamide	antineoplastic agent; apoptosis inducer; EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor; EC 2.7.11.21 (polo kinase) inhibitor; geroprotector; platelet aggregation inhibitor
l 701324	[no description available]	medium	1	0	quinolines
hispidin	[no description available]	medium	1	0	2-pyranones; catechols	antioxidant; EC 2.7.11.13 (protein kinase C) inhibitor; fungal metabolite
minocycline hydrochloride	[no description available]	medium	1	0
demeclocycline hydrochloride	[no description available]	medium	1	0
acyclovir	[no description available]	medium	2	0	2-aminopurines; oxopurine	antimetabolite; antiviral drug
sepiapterin	[no description available]	medium	1	0	sepiapterin
isoxanthopterin	[no description available]	medium	1	0	dihydroxypteridine
clozapine	[no description available]	medium	4	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
ganciclovir	[no description available]	medium	1	0	2-aminopurines; oxopurine	antiinfective agent; antiviral drug
zaprinast	[no description available]	medium	1	0	triazolopyrimidines
allopurinol	[no description available]	medium	1	0	nucleobase analogue; organic heterobicyclic compound	antimetabolite; EC 1.17.3.2 (xanthine oxidase) inhibitor; gout suppressant; radical scavenger
thiolactomycin	[no description available]	medium	1	0
2,4-diaminohypoxanthine	[no description available]	medium	1	0	hydroxypyrimidine
quazinone	[no description available]	medium	1	0
8-bromocyclic gmp, sodium salt	[no description available]	medium	1	0	organic sodium salt	muscle relaxant; protein kinase G agonist
ag-879	[no description available]	medium	1	0
bisindolylmaleimide i	[no description available]	medium	3	0
flunitrazepam	[no description available]	medium	83	0	1,4-benzodiazepinone; C-nitro compound; monofluorobenzenes	anxiolytic drug; GABAA receptor agonist; sedative
1-NA-PP1	[no description available]	medium	1	0	pyrazolopyrimidine	tyrosine kinase inhibitor
zolpidem	[no description available]	medium	16	0	imidazopyridine	central nervous system depressant; GABA agonist; sedative
staurosporine	[no description available]	medium	1	0	indolocarbazole alkaloid; organic heterooctacyclic compound	apoptosis inducer; bacterial metabolite; EC 2.7.11.13 (protein kinase C) inhibitor; geroprotector
bemegride	[no description available]	medium	10	0	piperidones
3-mercaptopropionic acid	[no description available]	medium	42	0	mercaptopropanoic acid	algal metabolite
2,3-dihydroxyquinoxaline	[no description available]	medium	1	0
nicotine	[no description available]	high	44	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
ly 293558	[no description available]	medium	2	0
ym 872	[no description available]	medium	1	0
ly 300164	[no description available]	medium	2	0	benzodioxoles
zk 200775	[no description available]	medium	1	0
irampanel	[no description available]	medium	1	0
2,3-dioxo-6-nitro-7-sulfamoylbenzo(f)quinoxaline	[no description available]	medium	81	0	naphthalenes; sulfonic acid derivative
6-nitro-1,4-dihydroquinoxaline-2,3-dione	[no description available]	medium	1	0
lofepramine hydrochloride	[no description available]	medium	1	0
perampanel	[no description available]	medium	1	0	bipyridines; nitrile; pyridone	AMPA receptor antagonist; anticonvulsant
4-aminophenol	[no description available]	medium	1	0	aminophenol	allergen; metabolite
indoleacetic acid	[no description available]	medium	1	0	indole-3-acetic acids; monocarboxylic acid	auxin; human metabolite; mouse metabolite; plant hormone; plant metabolite
epibatidine	[no description available]	medium	1	0	alkaloid
aristolochic acid i	[no description available]	medium	2	0	aristolochic acids; aromatic ether; C-nitro compound; cyclic acetal; monocarboxylic acid; organic heterotetracyclic compound	carcinogenic agent; metabolite; mutagen; nephrotoxin; toxin
5-methoxypsoralen	[no description available]	medium	1	0	5-methoxyfurocoumarin; organic heterotricyclic compound; psoralens	hepatoprotective agent; plant metabolite
2,3-dimethoxy-5-methyl-6-decyl-1,4-benzoquinone	[no description available]	medium	1	0	1,4-benzoquinones	cofactor
3,3'-diindolylmethane	[no description available]	medium	1	0	indoles	antineoplastic agent; P450 inhibitor
embelin	[no description available]	medium	1	0	dihydroxy-1,4-benzoquinones	antimicrobial agent; antineoplastic agent; hepatitis C protease inhibitor; plant metabolite
gossypol	[no description available]	medium	1	0
hypericin	[no description available]	medium	2	0
indole-3-carbinol	[no description available]	medium	1	0	indolyl alcohol	antineoplastic agent; plant metabolite
khellin	[no description available]	medium	2	0	furanochromone; organic heterotricyclic compound; oxacycle	anti-asthmatic agent; bronchodilator agent; cardiovascular drug; vasodilator agent
kinetin	[no description available]	medium	1	0	6-aminopurines; furans	cytokinin; geroprotector
lavendustin a	[no description available]	medium	2	0	aromatic amine
lavendustin b	[no description available]	medium	1	0
vitamin k 3	[no description available]	medium	1	0	1,4-naphthoquinones; vitamin K	angiogenesis inhibitor; antineoplastic agent; EC 3.4.22.69 (SARS coronavirus main proteinase) inhibitor; human urinary metabolite; nutraceutical
methoxsalen	[no description available]	medium	2	0	aromatic ether; psoralens	antineoplastic agent; cross-linking reagent; dermatologic drug; photosensitizing agent; plant metabolite
myristicin	[no description available]	medium	1	0	organic molecular entity	metabolite
nalidixic acid	[no description available]	medium	1	0	1,8-naphthyridine derivative; monocarboxylic acid; quinolone antibiotic	antibacterial drug; antimicrobial agent; DNA synthesis inhibitor
6,7-dimethoxy-3-(4-methoxy-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)-3H-isobenzofuran-1-one	[no description available]	medium	1	0	isoquinolines
patulin	[no description available]	medium	1	0	furopyran; gamma-lactone; lactol	antimicrobial agent; Aspergillus metabolite; carcinogenic agent; mutagen; mycotoxin; Penicillium metabolite
sanguinarine	[no description available]	medium	1	0	alkaloid antibiotic; benzophenanthridine alkaloid; botanical anti-fungal agent
streptonigrin	[no description available]	medium	1	0	pyridines; quinolone	antimicrobial agent; antineoplastic agent
tetrahydropapaverine	[no description available]	medium	1	0	aromatic ether; benzylisoquinoline alkaloid; benzyltetrahydroisoquinoline; polyether; secondary amino compound
trioxsalen	[no description available]	medium	1	0	psoralens	dermatologic drug; photosensitizing agent
mitomycin	[no description available]	medium	1	0	mitomycin	alkylating agent; antineoplastic agent
kanamycin a	[no description available]	medium	1	0	kanamycins	bacterial metabolite
veratramine	[no description available]	medium	2	0	piperidine alkaloid
phlorhizin	[no description available]	medium	1	0	aryl beta-D-glucoside; dihydrochalcones; monosaccharide derivative	antioxidant; plant metabolite
gliotoxin	[no description available]	medium	1	0	dipeptide; organic disulfide; organic heterotetracyclic compound; pyrazinoindole	antifungal agent; EC 2.5.1.58 (protein farnesyltransferase) inhibitor; immunosuppressive agent; mycotoxin; proteasome inhibitor
tubercidin	[no description available]	medium	1	0	antibiotic antifungal agent; N-glycosylpyrrolopyrimidine; ribonucleoside	antimetabolite; antineoplastic agent; bacterial metabolite
veratridine	[no description available]	medium	1	0	steroid	sodium channel modulator
gibberellic acid	[no description available]	medium	2	0	C19-gibberellin; gibberellin monocarboxylic acid; lactone; organic heteropentacyclic compound	mouse metabolite; plant metabolite
visnagin	[no description available]	medium	1	0	aromatic ether; furanochromone; polyketide	anti-inflammatory agent; antihypertensive agent; EC 1.1.1.37 (malate dehydrogenase) inhibitor; phytotoxin; plant metabolite; vasodilator agent
skimmianine	[no description available]	medium	1	0	alkaloid antibiotic; organic heterotricyclic compound; organonitrogen heterocyclic compound; oxacycle
syrosingopine	[no description available]	medium	1	0	yohimban alkaloid
gramine	[no description available]	medium	1	0	aminoalkylindole; indole alkaloid; tertiary amino compound	antibacterial agent; antiviral agent; plant metabolite; serotonergic antagonist
methylergonovine	[no description available]	medium	1	0	ergoline alkaloid
2,2'-methylenebis(4-methyl-6-tert-butylphenol)	[no description available]	medium	1	0	diarylmethane
indolebutyric acid	[no description available]	medium	1	0	indol-3-yl carboxylic acid	auxin; plant hormone; plant metabolite
shikimic acid	[no description available]	medium	1	0	alpha,beta-unsaturated monocarboxylic acid; cyclohexenecarboxylic acid; hydroxy monocarboxylic acid	Escherichia coli metabolite; plant metabolite; Saccharomyces cerevisiae metabolite
monocrotaline	[no description available]	medium	1	0	pyrrolizidine alkaloid
jervine	[no description available]	medium	2	0	piperidines
glycyrrhetinic acid	[no description available]	medium	1	0	cyclic terpene ketone; hydroxy monocarboxylic acid; pentacyclic triterpenoid	immunomodulator; plant metabolite
boldine	[no description available]	medium	1	0	aporphine alkaloid
indirubin	[no description available]	medium	1	0
plumbagin	[no description available]	medium	1	0	hydroxy-1,4-naphthoquinone; phenols	anticoagulant; antineoplastic agent; immunological adjuvant; metabolite
cepharanthine	[no description available]	medium	1	0	bisbenzylisoquinoline alkaloid; isoquinolines
aloe emodin	[no description available]	medium	1	0	aromatic primary alcohol; dihydroxyanthraquinone	antineoplastic agent; plant metabolite
osthol	[no description available]	medium	1	0	botanical anti-fungal agent; coumarins	metabolite
cytisine	[no description available]	medium	3	0	alkaloid; bridged compound; lactam; organic heterotricyclic compound; secondary amino compound	nicotinic acetylcholine receptor agonist; phytotoxin; plant metabolite
thymoquinone	[no description available]	medium	1	0	1,4-benzoquinones	adjuvant; anti-inflammatory agent; antidepressant; antineoplastic agent; antioxidant; cardioprotective agent; plant metabolite
oleanolic acid	[no description available]	medium	3	0	hydroxy monocarboxylic acid; pentacyclic triterpenoid	plant metabolite
hesperidin	[no description available]	medium	2	0	3'-hydroxyflavanones; 4'-methoxyflavanones; dihydroxyflavanone; disaccharide derivative; flavanone glycoside; monomethoxyflavanone; rutinoside	mutagen
azomycin	[no description available]	medium	1	0	C-nitro compound; imidazoles	antitubercular agent
Berberine chloride (TN)	[no description available]	medium	1	0	organic molecular entity
vincamine	[no description available]	medium	1	0	alkaloid ester; hemiaminal; methyl ester; organic heteropentacyclic compound; vinca alkaloid	antihypertensive agent; metabolite; vasodilator agent
ecdysone	[no description available]	medium	1	0	14alpha-hydroxy steroid; 22-hydroxy steroid; 25-hydroxy steroid; 2beta-hydroxy steroid; 3beta-sterol; 6-oxo steroid; ecdysteroid	prohormone
n-deacetyl-n-formylcolchicine	[no description available]	medium	1	0	cyclic ketone
2-bromoergocryptine mesylate	[no description available]	medium	1	0	methanesulfonate salt	antiparkinson drug
zingerone	[no description available]	medium	1	0	methyl ketone; monomethoxybenzene; phenols	anti-inflammatory agent; antiemetic; antioxidant; flavouring agent; fragrance; plant metabolite; radiation protective agent
phorbol 12,13-dibutyrate	[no description available]	medium	5	0	butyrate ester; phorbol ester; tertiary alpha-hydroxy ketone
swainsonine	[no description available]	medium	1	0	indolizidine alkaloid	antineoplastic agent; EC 3.2.1.114 (mannosyl-oligosaccharide 1,3-1,6-alpha-mannosidase) inhibitor; immunological adjuvant; plant metabolite
castanospermine	[no description available]	medium	1	0	indolizidine alkaloid	anti-HIV-1 agent; anti-inflammatory agent; EC 3.2.1.* (glycosidase) inhibitor; metabolite
daunorubicin hydrochloride	[no description available]	medium	1	0	anthracycline
ursolic acid	[no description available]	medium	1	0	hydroxy monocarboxylic acid; pentacyclic triterpenoid	geroprotector; plant metabolite
norharman	[no description available]	medium	3	0	beta-carbolines; mancude organic heterotricyclic parent	fungal metabolite; marine metabolite
betulinic acid	[no description available]	medium	2	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
epigallocatechin gallate	[no description available]	medium	1	0	flavans; gallate ester; polyphenol	antineoplastic agent; antioxidant; apoptosis inducer; geroprotector; Hsp90 inhibitor; neuroprotective agent; plant metabolite
baccatin iii	[no description available]	medium	1	0	acetate ester; benzoate ester; tetracyclic diterpenoid	plant metabolite
taleranol	[no description available]	medium	1	0	macrolide
narasin	[no description available]	medium	1	0	diterpene glycoside
quassin	[no description available]	medium	1	0	triterpenoid
tomatidine	[no description available]	medium	1	0	3beta-hydroxy steroid; azaspiro compound; oxaspiro compound
aloxistatin	[no description available]	medium	1	0	epoxide; ethyl ester; L-leucine derivative; monocarboxylic acid amide	anticoronaviral agent; cathepsin B inhibitor
bergenin	[no description available]	medium	1	0	trihydroxybenzoic acid	metabolite
pinocembrin	[no description available]	medium	1	0	(2S)-flavan-4-one; dihydroxyflavanone	antineoplastic agent; antioxidant; metabolite; neuroprotective agent; vasodilator agent
isoscopoletin	[no description available]	medium	1	0	aromatic ether; hydroxycoumarin	plant metabolite
vinburnine	[no description available]	medium	2	0	alkaloid
epicatechin	[no description available]	medium	1	0	catechin; polyphenol	antioxidant
hesperetin	[no description available]	medium	2	0	3'-hydroxyflavanones; 4'-methoxyflavanones; monomethoxyflavanone; trihydroxyflavanone	antineoplastic agent; antioxidant; plant metabolite
magnolol	[no description available]	medium	1	0	biphenyls
honokiol	[no description available]	medium	3	0	biphenyls
betulin	[no description available]	medium	2	0	diol; pentacyclic triterpenoid	analgesic; anti-inflammatory agent; antineoplastic agent; antiviral agent; metabolite
tetrahydroalstonine	[no description available]	medium	1	0	methyl ester; organic heteropentacyclic compound; yohimban alkaloid	plant metabolite
hernandezine	[no description available]	medium	1	0	bisbenzylisoquinoline alkaloid; isoquinolines
picropodophyllin	[no description available]	medium	1	0	furonaphthodioxole; lignan; organic heterotetracyclic compound	antineoplastic agent; insulin-like growth factor receptor 1 antagonist; plant metabolite; tyrosine kinase inhibitor
tetrandrine	[no description available]	medium	2	0	bisbenzylisoquinoline alkaloid; isoquinolines
dehydrocostus lactone	[no description available]	medium	1	0	gamma-lactone; guaiane sesquiterpenoid; organic heterotricyclic compound; sesquiterpene lactone	antimycobacterial drug; antineoplastic agent; apoptosis inducer; cyclooxygenase 2 inhibitor; metabolite; trypanocidal drug
madecassic acid	[no description available]	medium	1	0	monocarboxylic acid; pentacyclic triterpenoid; tetrol	antioxidant; plant metabolite
panaxadiol	[no description available]	medium	1	0	triterpenoid saponin
tryptanthrine	[no description available]	medium	1	0	alkaloid antibiotic; organic heterotetracyclic compound; organonitrogen heterocyclic compound
homoeriodictyol	[no description available]	medium	1	0	3'-methoxyflavanones; 4'-hydroxyflavanones; monomethoxyflavanone; trihydroxyflavanone	flavouring agent; metabolite
4-hydroxyindole	[no description available]	medium	1	0	hydroxyindoles; phenols
eriocitrin	[no description available]	medium	1	0	3'-hydroxyflavanones; 4'-hydroxyflavanones; disaccharide derivative; flavanone glycoside; rutinoside; trihydroxyflavanone	antioxidant
7,8-dihydromethysticin	[no description available]	medium	2	0	2-pyranones; aromatic ether
cinchonine	[no description available]	medium	2	0	(8xi)-cinchonan-9-ol; cinchona alkaloid	metabolite
aucubin	[no description available]	medium	1	0	organic molecular entity	metabolite
lupinine	[no description available]	medium	1	0	quinolizidine alkaloid
matrine	[no description available]	medium	1	0	alkaloid
friedelin	[no description available]	medium	1	0	cyclic terpene ketone; pentacyclic triterpenoid	anti-inflammatory drug; antipyretic; non-narcotic analgesic; plant metabolite
catalpol	[no description available]	medium	1	0	organic molecular entity	metabolite
quinine hydrochloride	[no description available]	medium	1	0
sarsasapogenin	[no description available]	medium	1	0	sapogenin
prunin protein, prunus	[no description available]	medium	1	0	(2S)-flavan-4-one; 4'-hydroxyflavanones; dihydroxyflavanone; flavanone 7-O-beta-D-glucoside; monosaccharide derivative	antibacterial agent; antilipemic drug; hypoglycemic agent; metabolite
podocarpic acid	[no description available]	medium	1	0	abietane diterpenoid
harmol hydrochloride	[no description available]	medium	1	0
5-Methoxyflavone	[no description available]	medium	1	0	ether; flavonoids
10-hydroxycamptothecin	[no description available]	medium	1	0	pyranoindolizinoquinoline
corydaline	[no description available]	medium	1	0	isoquinoline alkaloid; isoquinolines
demissidine	[no description available]	medium	1	0	alkaloid; organic heteropolycyclic compound; steroid
cinchonidine	[no description available]	medium	1	0	(8xi)-cinchonan-9-ol; cinchona alkaloid	metabolite
propidium iodide	[no description available]	medium	1	0	organic iodide salt
tryptoline	[no description available]	medium	1	0	beta-carbolines
deguelin	[no description available]	medium	1	0	aromatic ether; diether; organic heteropentacyclic compound; rotenones	angiogenesis inhibitor; anti-inflammatory agent; antineoplastic agent; antiviral agent; apoptosis inducer; EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor; mitochondrial NADH:ubiquinone reductase inhibitor; plant metabolite
daidzin	[no description available]	medium	1	0	7-hydroxyisoflavones 7-O-beta-D-glucoside; hydroxyisoflavone; monosaccharide derivative	plant metabolite
cafestol	[no description available]	medium	1	0	diterpenoid; furans; organic heteropentacyclic compound; primary alcohol; tertiary alcohol	angiogenesis inhibitor; anti-inflammatory agent; antineoplastic agent; antioxidant; apoptosis inducer; hypoglycemic agent; plant metabolite
homoorientin	[no description available]	medium	1	0	flavone C-glycoside; tetrahydroxyflavone	antineoplastic agent; radical scavenger
asiatic acid	[no description available]	medium	2	0	monocarboxylic acid; pentacyclic triterpenoid; triol	angiogenesis modulating agent; metabolite
angustmycin a	[no description available]	medium	1	0	6-aminopurines
razadyne	[no description available]	medium	1	0
phytosphingosine	[no description available]	medium	1	0	amino alcohol; sphingoid; triol	mouse metabolite; Saccharomyces cerevisiae metabolite
tetradecanoylphorbol acetate	[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
4'-demethylepipodophyllotoxin	[no description available]	medium	1	0	furonaphthodioxole; organic heterotetracyclic compound; phenols	antineoplastic agent
n-(n-(3-carboxyoxirane-2-carbonyl)leucyl)isoamylamine	[no description available]	medium	1	0	leucine derivative
sinensetin	[no description available]	medium	1	0	pentamethoxyflavone	plant metabolite
harmalol hydrochloride	[no description available]	medium	1	0
hyoscyamine	[no description available]	medium	1	0	tropane alkaloid
schizandrin a	[no description available]	medium	1	0
schizandrin b	[no description available]	medium	1	0	aromatic ether; cyclic acetal; organic heterotetracyclic compound; oxacycle; tannin	anti-asthmatic agent; anti-inflammatory agent; antilipemic drug; antioxidant; apoptosis inhibitor; hepatoprotective agent; nephroprotective agent; neuroprotective agent; plant metabolite
cryptotanshinone	[no description available]	medium	1	0	abietane diterpenoid	anticoronaviral agent
isosakuranetin	[no description available]	medium	1	0	(2S)-flavan-4-one; 4'-methoxyflavanones; dihydroxyflavanone; monomethoxyflavanone	plant metabolite
isovitexin	[no description available]	medium	1	0	C-glycosyl compound; trihydroxyflavone	EC 3.2.1.20 (alpha-glucosidase) inhibitor; metabolite
sclareol	[no description available]	medium	1	0	labdane diterpenoid	antifungal agent; antimicrobial agent; apoptosis inducer; fragrance; plant metabolite
tanshinone ii a	[no description available]	medium	1	0	abietane diterpenoid
leucodin	[no description available]	medium	1	0	sesquiterpene lactone
limonin	[no description available]	medium	1	0	epoxide; furans; hexacyclic triterpenoid; lactone; limonoid; organic heterohexacyclic compound	inhibitor; metabolite; volatile oil component
maduramicin	[no description available]	medium	1	0
chelidonine	[no description available]	medium	1	0	alkaloid antibiotic; alkaloid fundamental parent; benzophenanthridine alkaloid
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
santonin	[no description available]	medium	1	0	botanical anti-fungal agent; santonin	plant metabolite
sitosterol, (3beta)-isomer	[no description available]	medium	2	0	3beta-hydroxy-Delta(5)-steroid; 3beta-sterol; C29-steroid; phytosterols; stigmastane sterol	anticholesteremic drug; antioxidant; mouse metabolite; plant metabolite; sterol methyltransferase inhibitor
anisomycin	[no description available]	medium	6	0	monohydroxypyrrolidine; organonitrogen heterocyclic antibiotic	anticoronaviral agent; antimicrobial agent; antineoplastic agent; antiparasitic agent; bacterial metabolite; DNA synthesis inhibitor; protein synthesis inhibitor
acetylstrophanthidin	[no description available]	medium	1	0	acetate ester	anti-arrhythmia drug
Harringtonine	[no description available]	medium	1	0	alkaloid
acivicin	[no description available]	medium	1	0	isoxazoles; non-proteinogenic L-alpha-amino acid; organochlorine compound	antileishmanial agent; antimetabolite; antimicrobial agent; antineoplastic agent; EC 2.3.2.2 (gamma-glutamyltransferase) inhibitor; glutamine antagonist; metabolite
ketopinic acid	[no description available]	medium	1	0
gitoxigenin	[no description available]	medium	2	0	14beta-hydroxy steroid; 16beta-hydroxy steroid; 3beta-hydroxy steroid
graveoline	[no description available]	medium	1	0	quinolines
4-oxy-6-(4-oxybezoyloxy)dauc-8,9-en	[no description available]	medium	1	0
naringenin	[no description available]	medium	1	0	(2S)-flavan-4-one; naringenin	expectorant; plant metabolite
puromycin	[no description available]	medium	1	0	puromycins	antiinfective agent; antimicrobial agent; antineoplastic agent; EC 3.4.11.14 (cytosol alanyl aminopeptidase) inhibitor; EC 3.4.14.2 (dipeptidyl-peptidase II) inhibitor; nucleoside antibiotic; protein synthesis inhibitor
taxifolin	[no description available]	medium	1	0	taxifolin	metabolite
mimosine	[no description available]	medium	1	0	4-pyridones; amino acid zwitterion; non-proteinogenic L-alpha-amino acid	EC 1.14.18.1 (tyrosinase) inhibitor; plant metabolite
eriodictyol	[no description available]	medium	1	0	3'-hydroxyflavanones; tetrahydroxyflavanone
arbutin	[no description available]	medium	1	0	beta-D-glucoside; monosaccharide derivative	Escherichia coli metabolite; plant metabolite
conessine	[no description available]	medium	1	0	steroid alkaloid; tertiary amino compound	antibacterial agent; antimalarial; H3-receptor antagonist; plant metabolite
griseofulvin	[no description available]	medium	1	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
hyperforin	[no description available]	medium	2	0
deltaline	[no description available]	medium	1	0	acetate ester; cyclic acetal; diterpene alkaloid; organic polycyclic compound; tertiary alcohol; tertiary amino compound
ingenol	[no description available]	medium	1	0	cyclic terpene ketone; tetracyclic diterpenoid
picrotin	[no description available]	medium	1	0	diol; epoxide; gamma-lactone; organic heteropentacyclic compound; picrotoxane sesquiterpenoid; tertiary alcohol	plant metabolite
picrotoxinin	[no description available]	medium	1	0	epoxide; gamma-lactone; organic heteropentacyclic compound; picrotoxane sesquiterpenoid; tertiary alcohol	GABA antagonist; plant metabolite; serotonergic antagonist
naringin	[no description available]	medium	1	0	(2S)-flavan-4-one; 4'-hydroxyflavanones; dihydroxyflavanone; disaccharide derivative; neohesperidoside	anti-inflammatory agent; antineoplastic agent; metabolite
isonaringin	[no description available]	medium	1	0	(2S)-flavan-4-one; 4'-hydroxyflavanones; dihydroxyflavanone; disaccharide derivative; rutinoside	anti-inflammatory agent; antioxidant; metabolite
ochratoxin a	[no description available]	medium	1	0	isochromanes; monocarboxylic acid amide; N-acyl-L-phenylalanine; organochlorine compound; phenylalanine derivative	Aspergillus metabolite; calcium channel blocker; carcinogenic agent; mycotoxin; nephrotoxin; Penicillium metabolite; teratogenic agent
gingerol	[no description available]	medium	1	0	beta-hydroxy ketone; guaiacols	antineoplastic agent; plant metabolite
doxorubicin hydrochloride	[no description available]	medium	1	0	anthracycline
ferulic acid	[no description available]	medium	1	0	ferulic acids	anti-inflammatory agent; antioxidant; apoptosis inhibitor; cardioprotective agent; MALDI matrix material; plant metabolite
mycophenolic acid	[no description available]	medium	1	0	2-benzofurans; gamma-lactone; monocarboxylic acid; phenols	anticoronaviral agent; antimicrobial agent; antineoplastic agent; EC 1.1.1.205 (IMP dehydrogenase) inhibitor; environmental contaminant; immunosuppressive agent; mycotoxin; Penicillium metabolite; xenobiotic
alitretinoin	[no description available]	medium	1	0	retinoic acid	antineoplastic agent; keratolytic drug; metabolite; retinoid X receptor agonist
12-deoxyphorbol 13-acetate	[no description available]	medium	1	0	phorbol ester	metabolite
dactinomycin	[no description available]	medium	1	0	actinomycin	mutagen
aphidicolin	[no description available]	medium	1	0	tetracyclic diterpenoid	antimicrobial agent; antimitotic; antineoplastic agent; antiviral drug; apoptosis inducer; Aspergillus metabolite; DNA synthesis inhibitor; EC 2.7.7.7 (DNA-directed DNA polymerase) inhibitor; fungal metabolite
(+)-usnic acid	[no description available]	medium	1	0	usnic acid
beta, beta-dimethylacrylshikonin, (+)-isomer	[no description available]	medium	1	0	hydroxy-1,4-naphthoquinone
shikonin	[no description available]	medium	1	0	hydroxy-1,4-naphthoquinone
rhapontin	[no description available]	medium	1	0	rhaponticin	angiogenesis inhibitor; anti-allergic agent; anti-inflammatory agent; antilipemic drug; antineoplastic agent; apoptosis inducer; EC 2.3.1.85 (fatty acid synthase) inhibitor; hypoglycemic agent; neuroprotective agent; plant metabolite
piperine	[no description available]	medium	1	0	benzodioxoles; N-acylpiperidine; piperidine alkaloid; tertiary carboxamide	food component; human blood serum metabolite; NF-kappaB inhibitor; plant metabolite
amygdalin	[no description available]	medium	1	0	amygdalin	antineoplastic agent; apoptosis inducer; plant metabolite
hydrastine, (r-(r,s))-isomer	[no description available]	medium	1	0	isoquinolines
vasicine	[no description available]	medium	1	0
heliotrine	[no description available]	medium	1	0	pyrrolizines
sclareolide	[no description available]	medium	1	0	naphthofuran
hypocrellin b	[no description available]	medium	1	0
capsaicin	[no description available]	medium	31	0	capsaicinoid	non-narcotic analgesic; TRPV1 agonist; voltage-gated sodium channel blocker
aurapten	[no description available]	medium	1	0	coumarins; monoterpenoid	antihypertensive agent; antineoplastic agent; antioxidant; apoptosis inducer; dopaminergic agent; EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor; gamma-secretase modulator; gastrointestinal drug; hepatoprotective agent; matrix metalloproteinase inhibitor; neuroprotective agent; plant metabolite; PPARalpha agonist; vulnerary
chlorogenic acid	[no description available]	medium	1	0	cinnamate ester; tannin	food component; plant metabolite
fumonisin b2	[no description available]	medium	1	0	diester; diol; fumonisin; primary amino compound	Aspergillus metabolite; carcinogenic agent
lincomycin	[no description available]	medium	1	0	carbohydrate-containing antibiotic; L-proline derivative; monocarboxylic acid amide; pyrrolidinecarboxamide; S-glycosyl compound	antimicrobial agent; bacterial metabolite
valinomycin	[no description available]	medium	1	0	cyclodepsipeptide; macrocycle	antimicrobial agent; antiviral agent; bacterial metabolite; potassium ionophore
orlistat	[no description available]	medium	2	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
12-deoxyphorbolphenylacetate-20-acetate	[no description available]	medium	1	0
brassinin	[no description available]	medium	1	0	dithiocarbamic ester; indole phytoalexin
chaetomellic acid a	[no description available]	medium	1	0
hirsutine	[no description available]	medium	1	0
3-deoxyvasicine, hydrochloride	[no description available]	medium	1	0
emetine dihydrochloride	[no description available]	medium	1	0	hydrochloride	anticoronaviral agent; antimalarial; antineoplastic agent; antiprotozoal drug; antiviral agent; autophagy inhibitor; emetic; protein synthesis inhibitor
salinomycin	[no description available]	medium	1	0	polyketide; spiroketal	animal growth promotant; potassium ionophore
silybin	[no description available]	medium	1	0
5,6-dehydrokawain	[no description available]	medium	1	0	2-pyranones; aromatic ether
9,10-dihydrolysergol	[no description available]	medium	1	0
geranylgeranic acid	[no description available]	medium	1	0	alpha,beta-unsaturated monocarboxylic acid; diterpenoid; methyl-branched fatty acid; trienoic fatty acid
quercetin	[no description available]	medium	2	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
dinoprostone	[no description available]	medium	15	0	prostaglandins E	human metabolite; mouse metabolite; oxytocic
dinoprost	[no description available]	medium	4	0	monocarboxylic acid; prostaglandins Falpha	human metabolite; mouse metabolite
biochanin a	[no description available]	medium	1	0	4'-methoxyisoflavones; 7-hydroxyisoflavones	antineoplastic agent; EC 3.5.1.99 (fatty acid amide hydrolase) inhibitor; phytoestrogen; plant metabolite; tyrosine kinase inhibitor
formononetin	[no description available]	medium	1	0	4'-methoxyisoflavones; 7-hydroxyisoflavones	phytoestrogen; plant metabolite
prostaglandin b1	[no description available]	medium	1	0	prostaglandins B	human metabolite
sterigmatocystin	[no description available]	medium	1	0	sterigmatocystins	metabolite
vitexin	[no description available]	medium	1	0	C-glycosyl compound; trihydroxyflavone	antineoplastic agent; EC 3.2.1.20 (alpha-glucosidase) inhibitor; plant metabolite; platelet aggregation inhibitor
acacetin	[no description available]	medium	1	0	dihydroxyflavone; monomethoxyflavone	anticonvulsant; plant metabolite
quercitrin	[no description available]	medium	1	0	alpha-L-rhamnoside; monosaccharide derivative; quercetin O-glycoside; tetrahydroxyflavone	antileishmanial agent; antioxidant; EC 1.1.1.184 [carbonyl reductase (NADPH)] inhibitor; EC 1.1.1.21 (aldehyde reductase) inhibitor; EC 1.14.18.1 (tyrosinase) inhibitor; plant metabolite
scopoletin	[no description available]	medium	1	0	hydroxycoumarin	plant growth regulator; plant metabolite
hymecromone	[no description available]	medium	1	0	hydroxycoumarin	antineoplastic agent; hyaluronic acid synthesis inhibitor
alprostadil	[no description available]	medium	2	0	prostaglandins E	anticoagulant; human metabolite; platelet aggregation inhibitor; vasodilator agent
quercetin 3-o-glucopyranoside	[no description available]	medium	1	0	beta-D-glucoside; monosaccharide derivative; quercetin O-glucoside; tetrahydroxyflavone	antineoplastic agent; antioxidant; antipruritic drug; bone density conservation agent; geroprotector; histamine antagonist; osteogenesis regulator; plant metabolite
rutin	[no description available]	medium	1	0	disaccharide derivative; quercetin O-glucoside; rutinoside; tetrahydroxyflavone	antioxidant; metabolite
kaempferol	[no description available]	medium	1	0	7-hydroxyflavonol; flavonols; tetrahydroxyflavone	antibacterial agent; geroprotector; human blood serum metabolite; human urinary metabolite; human xenobiotic metabolite; plant metabolite
senecionine	[no description available]	medium	1	0	lactone; pyrrolizidine alkaloid; tertiary alcohol	plant metabolite
amphotericin b	[no description available]	medium	3	0	antibiotic antifungal drug; macrolide antibiotic; polyene antibiotic	antiamoebic agent; antiprotozoal drug; bacterial metabolite
butein	[no description available]	medium	1	0	chalcones; polyphenol	antineoplastic agent; antioxidant; EC 1.1.1.21 (aldehyde reductase) inhibitor; geroprotector; hypoglycemic agent; plant metabolite; radiosensitizing agent; tyrosine kinase inhibitor
sulfuretin	[no description available]	medium	1	0	1-benzofurans
genistin	[no description available]	medium	1	0	7-hydroxyisoflavones 7-O-beta-D-glucoside
chartreusin	[no description available]	medium	1	0	benzochromenone; glycoside
methysticin	[no description available]	medium	1	0	2-pyranones; aromatic ether
yangonin	[no description available]	medium	1	0	2-pyranones; aromatic ether
zearalenone	[no description available]	medium	1	0	macrolide; resorcinols	fungal metabolite; mycoestrogen
baicalein	[no description available]	medium	2	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
chrysin	[no description available]	medium	2	0	7-hydroxyflavonol; dihydroxyflavone	anti-inflammatory agent; antineoplastic agent; antioxidant; EC 2.7.11.18 (myosin-light-chain kinase) inhibitor; hepatoprotective agent; plant metabolite
datiscetin	[no description available]	medium	1	0	7-hydroxyflavonol; tetrahydroxyflavone
diosmetin	[no description available]	medium	1	0	3'-hydroxyflavonoid; monomethoxyflavone; trihydroxyflavone	angiogenesis inhibitor; anti-inflammatory agent; antineoplastic agent; antioxidant; apoptosis inducer; bone density conservation agent; cardioprotective agent; plant metabolite; tropomyosin-related kinase B receptor agonist; vasodilator agent
diosmin	[no description available]	medium	1	0	dihydroxyflavanone; disaccharide derivative; glycosyloxyflavone; monomethoxyflavone; rutinoside	anti-inflammatory agent; antioxidant
fisetin	[no description available]	medium	2	0	3'-hydroxyflavonoid; 7-hydroxyflavonol; tetrahydroxyflavone	anti-inflammatory agent; antioxidant; EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor; geroprotector; metabolite; plant metabolite
galangin	[no description available]	medium	1	0	7-hydroxyflavonol; trihydroxyflavone	antimicrobial agent; EC 3.1.1.3 (triacylglycerol lipase) inhibitor; plant metabolite
3-methylquercetin	[no description available]	medium	1	0	7-hydroxyflavonol; monomethoxyflavone; tetrahydroxyflavone	anticoagulant; EC 1.14.18.1 (tyrosinase) inhibitor; metabolite
rhamnetin	[no description available]	medium	1	0	monomethoxyflavone; tetrahydroxyflavone	anti-inflammatory agent; antioxidant; metabolite
robinetin	[no description available]	medium	1	0	7-hydroxyflavonol; pentahydroxyflavone	plant metabolite
tamarixetin	[no description available]	medium	1	0	7-hydroxyflavonol; monomethoxyflavone; tetrahydroxyflavone	antioxidant; metabolite
wogonin	[no description available]	medium	1	0	dihydroxyflavone; monomethoxyflavone	angiogenesis inhibitor; antineoplastic agent; cyclooxygenase 2 inhibitor; plant metabolite
coumestrol	[no description available]	medium	2	0	coumestans; delta-lactone; polyphenol	anti-inflammatory agent; antioxidant; plant metabolite
rosmarinic acid	[no description available]	medium	1	0	rosmarinic acid	geroprotector; plant metabolite
wedelolactone	[no description available]	medium	1	0	aromatic ether; coumestans; delta-lactone; polyphenol	antineoplastic agent; apoptosis inducer; EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor; hepatoprotective agent; metabolite
ellagic acid	[no description available]	medium	2	0	catechols; cyclic ketone; lactone; organic heterotetracyclic compound; polyphenol	antioxidant; EC 1.14.18.1 (tyrosinase) inhibitor; EC 2.3.1.5 (arylamine N-acetyltransferase) inhibitor; EC 2.4.1.1 (glycogen phosphorylase) inhibitor; EC 2.5.1.18 (glutathione transferase) inhibitor; EC 2.7.1.127 (inositol-trisphosphate 3-kinase) inhibitor; EC 2.7.1.151 (inositol-polyphosphate multikinase) inhibitor; EC 2.7.4.6 (nucleoside-diphosphate kinase) inhibitor; EC 2.7.7.7 (DNA-directed DNA polymerase) inhibitor; EC 5.99.1.2 (DNA topoisomerase) inhibitor; EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor; food additive; fungal metabolite; geroprotector; plant metabolite; skin lightening agent
7-hydroxyflavone	[no description available]	medium	1	0	hydroxyflavonoid
prostaglandin a1	[no description available]	medium	1	0	prostaglandins A
cerulenin	[no description available]	medium	1	0	epoxide; monocarboxylic acid amide	antifungal agent; antiinfective agent; antilipemic drug; antimetabolite; antimicrobial agent; fatty acid synthesis inhibitor
rhoifolin	[no description available]	medium	1	0	dihydroxyflavone; glycosyloxyflavone; neohesperidoside	metabolite
vitexin rhamnoside	[no description available]	medium	1	0	C-glycosyl compound; disaccharide derivative; trihydroxyflavone	plant metabolite
domoic acid	[no description available]	medium	2	0	L-proline derivative; non-proteinogenic L-alpha-amino acid; pyrrolidinecarboxylic acid; tricarboxylic acid	algal metabolite; hapten; marine metabolite; neuromuscular agent; neurotoxin
natamycin	[no description available]	medium	1	0	antibiotic antifungal drug; dicarboxylic acid monoester; epoxide; macrolide antibiotic; monosaccharide derivative; polyene antibiotic	antifungal agrochemical; antimicrobial food preservative; apoptosis inducer; bacterial metabolite; ophthalmology drug
sirolimus	[no description available]	medium	4	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
cytochalasin b	[no description available]	medium	1	0	cytochalasin; lactam; lactone; organic heterotricyclic compound	actin polymerisation inhibitor; metabolite; mycotoxin; platelet aggregation inhibitor
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
bisdemethoxycurcumin	[no description available]	medium	1	0	beta-diketone; diarylheptanoid; enone; polyphenol	EC 3.2.1.1 (alpha-amylase) inhibitor; metabolite
andrographolide	[no description available]	medium	1	0	carbobicyclic compound; gamma-lactone; labdane diterpenoid; primary alcohol; secondary alcohol	anti-HIV agent; anti-inflammatory drug; antineoplastic agent; metabolite
isorhamnetin 3-o-glucoside	[no description available]	medium	1	0	beta-D-glucoside; glycosyloxyflavone; monomethoxyflavone; monosaccharide derivative; trihydroxyflavone	metabolite
6,7-dihydroxyflavone	[no description available]	medium	1	0
flavokawain a	[no description available]	medium	1	0	chalcones
flavokawain b	[no description available]	medium	1	0	chalcones; dimethoxybenzene; phenols	anti-inflammatory agent; antileishmanial agent; antineoplastic agent; apoptosis inducer; metabolite
kavain	[no description available]	medium	1	0	racemate	glycine receptor antagonist
abscisic acid, (+,-)-isomer	[no description available]	medium	1	0	abscisic acids	abscisic acid receptor agonist
veratrine	[no description available]	medium	2	0	alkaloid
catharanthine	[no description available]	medium	1	0	alkaloid ester; bridged compound; methyl ester; monoterpenoid indole alkaloid; organic heteropentacyclic compound; tertiary amino compound
cytochalasin e	[no description available]	medium	1	0	cytochalasan alkaloid	metabolite
cytochalasin d	[no description available]	medium	1	0
sinomenine	[no description available]	medium	2	0	morphinane alkaloid
ecdysterone	[no description available]	medium	3	0	14alpha-hydroxy steroid; 20-hydroxy steroid; 22-hydroxy steroid; 25-hydroxy steroid; 2beta-hydroxy steroid; 3beta-sterol; ecdysteroid; phytoecdysteroid	animal metabolite; plant metabolite
bleomycin	[no description available]	medium	1	0	bleomycin	antineoplastic agent; metabolite
bakuchiol	[no description available]	medium	1	0
zerumbone	[no description available]	medium	2	0	cyclic ketone; sesquiterpenoid	anti-inflammatory agent; glioma-associated oncogene inhibitor; plant metabolite
solanesol	[no description available]	medium	1	0	nonaprenol; primary alcohol	plant metabolite
(1S,15S,17R,18R,19S,20S)-6,18-dimethoxy-17-[oxo-(3,4,5-trimethoxyphenyl)methoxy]-1,3,11,12,14,15,16,17,18,19,20,21-dodecahydroyohimban-19-carboxylic acid methyl ester	[no description available]	medium	1	0	yohimban alkaloid
n-caproylsphingosine	[no description available]	medium	1	0	N-acylsphingosine
monorden	[no description available]	medium	1	0	cyclic ketone; enone; epoxide; macrolide antibiotic; monochlorobenzenes; phenols	antifungal agent; metabolite; tyrosine kinase inhibitor
ginkgolide b	[no description available]	medium	1	0
hydrocotarnine hydrobromide	[no description available]	medium	1	0
salsolinol hydrobromide	[no description available]	medium	1	0
lasalocid sodium	[no description available]	medium	1	0	benzoates; organic sodium salt	coccidiostat; ionophore
sclerotiorin	[no description available]	medium	1	0	azaphilone
himbacine	[no description available]	medium	1	0	gamma-lactone; organic heterotricyclic compound; piperidine alkaloid	muscarinic antagonist
ebelactone b	[no description available]	medium	1	0
3-o-methylbutein	[no description available]	medium	1	0	chalcones
thermozymocidin	[no description available]	medium	1	0	alpha-amino fatty acid; hydroxy monocarboxylic acid; non-proteinogenic alpha-amino acid; sphingoid	antifungal agent; antimicrobial agent; antineoplastic agent; apoptosis inducer; EC 2.3.1.50 (serine C-palmitoyltransferase) inhibitor; fungal metabolite; immunosuppressive agent
marein	[no description available]	medium	1	0	flavonoids; glycoside
hydroxyachillin	[no description available]	medium	1	0	gamma-lactone
fumagillin	[no description available]	medium	1	0	antibiotic antifungal drug; carboxylic ester; dicarboxylic acid monoester; meroterpenoid; organooxygen heterocyclic antibiotic; spiro-epoxide	angiogenesis inhibitor; antibacterial drug; antimicrobial agent; antiprotozoal drug; fungal metabolite; methionine aminopeptidase 2 inhibitor
artesunate	[no description available]	medium	1	0	artemisinin derivative; cyclic acetal; dicarboxylic acid monoester; hemisuccinate; semisynthetic derivative; sesquiterpenoid	antimalarial; antineoplastic agent; ferroptosis inducer
anisodamine	[no description available]	medium	1	0
bufalin	[no description available]	medium	1	0	14beta-hydroxy steroid; 3beta-hydroxy steroid	animal metabolite; anti-inflammatory agent; antineoplastic agent; cardiotonic drug
alpha-solanine	[no description available]	medium	1	0	glycoalkaloid; organic heterohexacyclic compound; steroid saponin; trisaccharide derivative	antineoplastic agent; apoptosis inducer; phytotoxin; plant metabolite
apigenin-7-o-rutinoside	[no description available]	medium	1	0
gambogic acid	[no description available]	medium	1	0	pyranoxanthones	metabolite
bn 52020	[no description available]	medium	1	0
carmine	[no description available]	medium	1	0	C-glycosyl compound; monocarboxylic acid; tetrahydroxyanthraquinone	animal metabolite; histological dye
bavachinin	[no description available]	medium	1	0	flavanones
grayanotoxin iii	[no description available]	medium	1	0
Dihydrotanshinone I	[no description available]	medium	1	0	abietane diterpenoid	anticoronaviral agent
cinobufagin	[no description available]	medium	1	0	steroid lactone
cannogenin thevetoside	[no description available]	medium	1	0	cardenolide glycoside
eriodictyol 7-O-beta-D-glucopyranoside	[no description available]	medium	1	0	beta-D-glucoside; flavanone glycoside; monosaccharide derivative; trihydroxyflavanone	plant metabolite; radical scavenger
hypocrellin a	[no description available]	medium	1	0
dihydrorobinetin	[no description available]	medium	1	0
monensin	[no description available]	medium	1	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
citrinin	[no description available]	medium	1	0
vulpinic acid	[no description available]	medium	1	0	butenolide
ajmaline	[no description available]	medium	1	0
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
alpha-cyclopiazonic acid	[no description available]	medium	1	0	alpha-cyclopiazonic acids
2-(3-pyridine)acetic acid	[no description available]	medium	1	0	monocarboxylic acid; pyridines	human xenobiotic metabolite
ureidosuccinic acid	[no description available]	medium	1	0	aspartic acid derivative; C4-dicarboxylic acid; N-carbamoyl-amino acid	Escherichia coli metabolite; human metabolite; Saccharomyces cerevisiae metabolite
arabinofuranosylcytosine triphosphate	[no description available]	medium	1	0	pyrimidine ribonucleoside monophosphate
aminoethylphosphonic acid	[no description available]	medium	1	0	phosphonic acids; primary amino compound; zwitterion	human metabolite; metabolite; mouse metabolite
gamma-guanidinobutyric acid	[no description available]	medium	2	0	guanidines; monocarboxylic acid; zwitterion	fungal metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite
inositol	[no description available]	medium	1	0	cyclitol; hexol
pentachlorophenol	[no description available]	medium	1	0	aromatic fungicide; chlorophenol; organochlorine pesticide; pentachlorobenzenes	human xenobiotic metabolite
phenylalanine	[no description available]	medium	1	0	alpha-amino acid; aromatic amino acid	Daphnia magna metabolite
nsc-267703	[no description available]	medium	1	0	anthracycline
n-acetyltryptophan	[no description available]	medium	1	0	N-acetyl-amino acid; tryptophan derivative	metabolite
tyrphostin ag957	[no description available]	medium	1	0	aromatic amine
benzbromarone	[no description available]	medium	1	0	1-benzofurans; aromatic ketone	uricosuric drug
benzylhydrochlorothiazide	[no description available]	medium	1	0	benzenes; benzothiadiazine; organochlorine compound; secondary amino compound; sulfonamide
eucalyptol	[no description available]	medium	1	0
amberlite cg 400	[no description available]	medium	1	0	methyl ester; organic heteropentacyclic compound; yohimban alkaloid
stallimycin	[no description available]	medium	1	0
glyphosate	[no description available]	medium	1	0	glycine derivative; phosphonic acid	agrochemical; EC 2.5.1.19 (3-phosphoshikimate 1-carboxyvinyltransferase) inhibitor; herbicide
miltefosine	[no description available]	medium	1	0	phosphocholines; phospholipid	anti-inflammatory agent; anticoronaviral agent; antifungal agent; antineoplastic agent; antiprotozoal drug; apoptosis inducer; immunomodulator; protein kinase inhibitor
batyl alcohol	[no description available]	medium	1	0	alkylglycerol
benzylsuccinic acid	[no description available]	medium	1	0	dicarboxylic acid	bacterial xenobiotic metabolite
mesoridazine	[no description available]	medium	1	0	phenothiazines; sulfoxide; tertiary amino compound	dopaminergic antagonist; first generation antipsychotic
penicillamine	[no description available]	medium	1	0	non-proteinogenic alpha-amino acid; thiol
phenolsulfonphthalein	[no description available]	medium	1	0	2,1-benzoxathiole; arenesulfonate ester; phenols; sultone	acid-base indicator; diagnostic agent; two-colour indicator
Picrotin, analytical standard	[no description available]	medium	1	0	furopyran
pomiferin	[no description available]	medium	1	0	isoflavanones
pridinol	[no description available]	medium	1	0	piperidines; tertiary alcohol	antiparkinson drug; muscle relaxant
sulfaquinoxaline	[no description available]	medium	1	0	benzenes; sulfonamide
suramin	[no description available]	high	6	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
4-methylglutamic acid	[no description available]	medium	2	0	amino dicarboxylic acid; glutamic acid derivative
santowhite powder	[no description available]	medium	1	0
fentichlor	[no description available]	medium	1	0	aryl sulfide; bridged diphenyl antifungal drug; monochlorobenzenes; polyphenol	antiinfective agent; drug allergen
pyrrolidonecarboxylic acid	[no description available]	medium	5	0	5-oxoproline; L-proline derivative; non-proteinogenic L-alpha-amino acid	algal metabolite
hexadecanolide	[no description available]	medium	1	0	macrolide
pamoic acid	[no description available]	medium	1	0	dicarboxylic acid
carzenide	[no description available]	medium	1	0	sulfonamide
estradiol 17 beta-cypionate	[no description available]	medium	1	0	steroid ester
lithocholic acid	[no description available]	medium	1	0	bile acid; C24-steroid; monohydroxy-5beta-cholanic acid	geroprotector; human metabolite; mouse metabolite
salicylurate	[no description available]	medium	1	0	N-acylglycine; secondary carboxamide	human xenobiotic metabolite; uremic toxin
3,5-pyridinedicarboxylic acid	[no description available]	medium	1	0	pyridinedicarboxylic acid
ricinine	[no description available]	medium	1	0	nitrile; pyridine alkaloid; pyridone
carinamide	[no description available]	medium	1	0
3,5-dibromotyrosine	[no description available]	medium	1	0	monocarboxylic acid
hematoporphyrin	[no description available]	medium	1	0
1H-indazol-3-amine	[no description available]	medium	1	0	indazoles
1,1'-methylenedi-2-naphthol	[no description available]	medium	1	0
tricarballylic acid	[no description available]	medium	1	0	tricarboxylic acid
popop	[no description available]	medium	1	0	1,3-oxazoles	fluorochrome
2-tert-butylhydroquinone	[no description available]	medium	1	0	hydroquinones	food antioxidant
7-hydroxychlorpromazine	[no description available]	medium	1	0	phenothiazines
cme-carbodiimide	[no description available]	medium	1	0
cyclacillin	[no description available]	medium	1	0	penicillin	antibacterial drug
strombine	[no description available]	medium	1	0
thymolphthalein	[no description available]	medium	1	0	terpene lactone
1,4,5,8-naphthalenetetracarboxylic acid	[no description available]	medium	1	0
(7S,9S)-7-[(4-amino-5-hydroxy-6-methyl-2-oxanyl)oxy]-6,9,11-trihydroxy-9-(2-hydroxy-1-oxoethyl)-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione	[no description available]	medium	1	0	anthracycline
hydroxyphenylazouracil	[no description available]	medium	1	0
canadine	[no description available]	medium	1	0	aromatic ether; berberine alkaloid; organic heteropentacyclic compound; oxacycle
pimonidazole	[no description available]	medium	1	0
flavone acetic acid	[no description available]	medium	1	0
trichlorophene	[no description available]	medium	1	0
4-aminomethylbenzoic acid	[no description available]	medium	1	0	benzoic acids
cedrol	[no description available]	medium	1	0	cedrane sesquiterpenoid; tertiary alcohol
propazole	[no description available]	medium	1	0	benzimidazoles
reserpic acid	[no description available]	medium	1	0	yohimban alkaloid
pifexole	[no description available]	medium	1	0
Diphenolic acid	[no description available]	medium	1	0	bisphenol
Melicopidine	[no description available]	medium	1	0	acridines
resorufin	[no description available]	medium	1	0	phenoxazine
pacein	[no description available]	medium	1	0
alantolactone	[no description available]	medium	1	0	naphthofuran; olefinic compound; sesquiterpene lactone	antineoplastic agent; apoptosis inducer; plant metabolite
2-(4'-methylpiperazino-1-methyl)-1,3-diazafluoranthene 1-oxide	[no description available]	medium	1	0
stictic acid	[no description available]	medium	1	0	aromatic ether
gallocyanine	[no description available]	medium	1	0
propylsulfonic acid	[no description available]	medium	1	0
1-cyclohexyl-3-(2-(4-morpholinyl)ethyl)carbodiimide	[no description available]	medium	1	0	carbodiimide; morpholines	cross-linking reagent
6,6'-dithiodinicotinic acid	[no description available]	medium	1	0
va 061	[no description available]	medium	1	0
n-acetyltyrosine, (dl)-isomer	[no description available]	medium	1	0	N-acetyl-amino acid; phenols; tyrosine derivative	human urinary metabolite
n(6)-(delta(2)-isopentenyl)adenine	[no description available]	medium	1	0	6-isopentenylaminopurine	cytokinin
2-Phthalimidoglutaricacid	[no description available]	medium	1	0	glutamic acid derivative
nsc-87877	[no description available]	medium	1	0
methyl lithocholate	[no description available]	medium	1	0
nipecotic acid amide	[no description available]	medium	1	0	piperidinecarboxamide
dimethacrine	[no description available]	medium	1	0	acridines
dehydroabietic acid	[no description available]	medium	1	0	abietane diterpenoid; carbotricyclic compound; monocarboxylic acid	allergen; metabolite
4-deoxypyridoxine 5'-phosphate	[no description available]	medium	1	0
4-(phenylthio)butanoic acid	[no description available]	medium	1	0
bis-a-tda	[no description available]	medium	1	0
1-amino-2-phenylethylphosphonic acid	[no description available]	medium	1	0
4-fluoro-alpha-hydroxybenzeneacetic acid	[no description available]	medium	1	0
Isopteropodin	[no description available]	medium	1	0	indolizines
benzpiperylone	[no description available]	medium	1	0	pyrazoles; ring assembly
carboxyamido-triazole	[no description available]	medium	1	0
nsc 607097	[no description available]	medium	1	0
pacifenol	[no description available]	medium	1	0
n-phenyliminodiacetic acid	[no description available]	medium	1	0
cystamine hydrochloride	[no description available]	medium	1	0
dipiperidinoethane-di-n-oxide	[no description available]	medium	1	0
benzyl-beta-d-xyloside	[no description available]	medium	1	0
2,2'-(3-methylcyclohexane-1,1-diyl)diacetic acid	[no description available]	medium	1	0	dicarboxylic acid
2,4-dinitrophenylacetic acid	[no description available]	medium	1	0
(5-Phenyl-1,2,4-triazol-3-yl)urea	[no description available]	medium	1	0	benzenes
fumagillol	[no description available]	medium	1	0	secondary alcohol; sesquiterpenoid; spiro-epoxide	antimicrobial agent
vacquinol-1	[no description available]	medium	1	0
aspidospermine	[no description available]	medium	1	0	indole alkaloid
guaiol	[no description available]	medium	1	0	guaiane sesquiterpenoid
pseudoyohimbine	[no description available]	medium	1	0	methyl 17-hydroxy-20xi-yohimban-16-carboxylate
gant58	[no description available]	medium	1	0	pyridines
nsc 88915	[no description available]	medium	1	0
o-acetylsolasodine	[no description available]	medium	1	0
viroallosecurinine	[no description available]	medium	1	0	indolizines
4-methyl-2-quinazolinamine	[no description available]	medium	1	0
1-amino-9,10-dioxo-4-(3-sulfamoylanilino)anthracene-2-sulfonic acid	[no description available]	medium	1	0
adamantoylcytarabine	[no description available]	medium	1	0
6,11-dioxo-12-naphtho[2,3-b]indolizinecarboxylic acid ethyl ester	[no description available]	medium	1	0	naphthalenes
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
LSM-1290	[no description available]	medium	1	0	benzazepine alkaloid; cyclic acetal
2-glycineamide-5-chlorophenyl-2-pyrryl ketone	[no description available]	medium	1	0
nsc 154020	[no description available]	medium	1	0	N-glycosyl compound
4-[(1-naphthalenylamino)-oxomethyl]benzene-1,3-dicarboxylic acid	[no description available]	medium	1	0	2-hydroxyisophthalic acid
2,2-bis(hydroxymethyl)-1-azabicyclo(2,2,2,)octan-3-one	[no description available]	medium	1	0	cyclic ketone; quinuclidines
5-(1,3-benzodioxol-5-yl)-N-(2,4-dimethylphenyl)-1,3,4-oxadiazol-2-amine	[no description available]	medium	1	0	benzodioxoles
croton factor f1	[no description available]	medium	1	0	phorbol ester; tertiary alpha-hydroxy ketone
medicarpin	[no description available]	medium	1	0	medicarpin	plant metabolite
aromoline	[no description available]	medium	1	0
nsc668394	[no description available]	medium	1	0
gant 61	[no description available]	medium	1	0	aminal; dialkylarylamine; pyridines; substituted aniline; tertiary amino compound	antineoplastic agent; apoptosis inducer; glioma-associated oncogene inhibitor; Hedgehog signaling pathway inhibitor
nsc 45641	[no description available]	medium	1	0
geraniol	[no description available]	medium	2	0	3,7-dimethylocta-2,6-dien-1-ol; monoterpenoid; primary alcohol	allergen; fragrance; plant metabolite; volatile oil component
aconitic acid	[no description available]	medium	1	0	aconitic acid	fundamental metabolite
amygdalin	[no description available]	medium	1	0
alpha-phenylcinnamate	[no description available]	medium	1	0
curcumin	[no description available]	medium	1	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
ethyldimethylaminopropyl carbodiimide	[no description available]	medium	1	0
nsc 336628	[no description available]	medium	1	0
1,3-dimethyl-8-[2-(1-pyrrolidinyl)ethylthio]-6-sulfanylidene-7H-purin-2-one	[no description available]	medium	1	0	oxopurine
cambinol	[no description available]	medium	1	0
nsc 117199	[no description available]	medium	1	0
mangostin	[no description available]	medium	1	0	aromatic ether; phenols; xanthones	antimicrobial agent; antineoplastic agent; antioxidant; plant metabolite
7,8-dimethylalloxazine	[no description available]	medium	1	0	7,8-dimethylbenzo[g]pteridine-2,4-dione	plant metabolite
dihydrothobainone	[no description available]	medium	1	0
piperic acid	[no description available]	medium	1	0	alpha,beta-unsaturated monocarboxylic acid; benzodioxoles	plant metabolite
abscisic acid	[no description available]	medium	1	0	abscisic acids
radicinin	[no description available]	medium	1	0	aromatic ketone
5,6-dichloro-1H-imidazo[4,5-b]pyrazine-2-carboxylic acid	[no description available]	medium	1	0	imidazopyrazine
hispanolone	[no description available]	medium	1	0
veratridine	[no description available]	medium	14	0
chlortetracycline hydrochloride	[no description available]	medium	1	0
viridicatumtoxin	[no description available]	medium	1	0
dacarbazine	[no description available]	medium	1	0	dacarbazine
hematein	[no description available]	medium	1	0
withaferin a	[no description available]	medium	1	0	27-hydroxy steroid; 4-hydroxy steroid; delta-lactone; enone; epoxy steroid; ergostanoid; primary alcohol; secondary alcohol; withanolide	antineoplastic agent; apoptosis inducer
melitten	[no description available]	medium	2	0
picrotoxin	[no description available]	medium	946	0
xanthohumol	[no description available]	medium	1	0	aromatic ether; chalcones; polyphenol	anti-HIV-1 agent; antineoplastic agent; antiviral agent; apoptosis inducer; EC 2.3.1.20 (diacylglycerol O-acyltransferase) inhibitor; metabolite
alpha bitter acid	[no description available]	medium	1	0	aromatic ketone; cyclic ketone; diketone; tertiary alpha-hydroxy ketone; triol	antibacterial drug; antioxidant; cyclooxygenase 2 inhibitor; metabolite
sakuranetin	[no description available]	medium	1	0	(2S)-flavan-4-one; 4'-hydroxyflavanones; dihydroxyflavanone; flavonoid phytoalexin; monomethoxyflavanone	antimycobacterial drug; plant metabolite
substance p	[no description available]	medium	46	0	peptide	neurokinin-1 receptor agonist; neurotransmitter; vasodilator agent
cannabidiol	[no description available]	medium	2	0	olefinic compound; phytocannabinoid; resorcinols	antimicrobial agent; plant metabolite
naloxonazine	[no description available]	medium	6	0
naloxone	[no description available]	medium	160	0	morphinane alkaloid; organic heteropentacyclic compound; tertiary alcohol	antidote to opioid poisoning; central nervous system depressant; mu-opioid receptor antagonist
urethane	[no description available]	medium	16	0	carbamate ester	fungal metabolite; mutagen
ng-nitroarginine methyl ester	[no description available]	medium	21	0	alpha-amino acid ester; L-arginine derivative; methyl ester; N-nitro compound	EC 1.14.13.39 (nitric oxide synthase) inhibitor
2-methylpentane	[no description available]	medium	1	0	alkane
chlorine	[no description available]	medium	217	0	halide anion; monoatomic chlorine	cofactor; Escherichia coli metabolite; human metabolite
sesquiterpenes	[no description available]	medium	5	0
glutamic acid	[no description available]	medium	348	0	glutamic acid; glutamine family amino acid; L-alpha-amino acid; proteinogenic amino acid	Escherichia coli metabolite; ferroptosis inducer; micronutrient; mouse metabolite; neurotransmitter; nutraceutical
anandamide	[no description available]	medium	11	0	endocannabinoid; N-acylethanolamine 20:4	human blood serum metabolite; neurotransmitter; vasodilator agent
adrenomedullin	[no description available]	medium	2	0
sevoflurane	[no description available]	medium	7	0	ether; organofluorine compound	central nervous system depressant; inhalation anaesthetic; platelet aggregation inhibitor
glycine	[no description available]	medium	316	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
hepes	[no description available]	medium	1	0	HEPES; organosulfonic acid
alpha-amino-3-hydroxy-5-methyl-4-isoxazolepropionic acid	[no description available]	medium	53	0	non-proteinogenic alpha-amino acid
saclofen	[no description available]	medium	49	0	organochlorine compound
gastrin-releasing peptide	[no description available]	medium	6	0
chloroquine	[no description available]	medium	1	0	aminoquinoline; organochlorine compound; secondary amino compound; tertiary amino compound	anticoronaviral agent; antimalarial; antirheumatic drug; autophagy inhibitor; dermatologic drug
naltrexone	[no description available]	medium	26	0	cyclopropanes; morphinane-like compound; organic heteropentacyclic compound	antidote to opioid poisoning; central nervous system depressant; environmental contaminant; mu-opioid receptor antagonist; xenobiotic
norbinaltorphimine	[no description available]	medium	9	0	isoquinolines
bicuculline methochloride	[no description available]	medium	52	0
bicuculline methiodide	[no description available]	medium	473	0
glucagon-like peptide 1	[no description available]	medium	1	0
cgp 35348	[no description available]	medium	95	0
dynorphins	[no description available]	medium	6	0
kiss1 protein, human	[no description available]	medium	3	0
pregnanolone	[no description available]	medium	59	0	3-hydroxy-5beta-pregnan-20-one; 3alpha-hydroxy steroid	human metabolite; intravenous anaesthetic; sedative
vasoactive intestinal peptide	[no description available]	medium	13	0
angiotensin ii	[no description available]	medium	23	0	amino acid zwitterion; angiotensin II	human metabolite
losartan	[no description available]	medium	7	0	biphenylyltetrazole; imidazoles	angiotensin receptor antagonist; anti-arrhythmia drug; antihypertensive agent; endothelin receptor antagonist
caryophyllene	[no description available]	medium	1	0
tetrodotoxin	[no description available]	medium	371	0	azatetracycloalkane; oxatetracycloalkane; quinazoline alkaloid	animal metabolite; bacterial metabolite; marine metabolite; neurotoxin; voltage-gated sodium channel blocker
etomidate	[no description available]	medium	10	0	ethyl ester; imidazoles	intravenous anaesthetic; sedative
dextrothyroxine	[no description available]	medium	16	0
n,n-dipropyl-2-(4-methoxy-3-(2-phenylethoxy)phenyl)ethylamine monohydrochloride	[no description available]	medium	3	0
pilocarpine	[no description available]	medium	32	0	pilocarpine	antiglaucoma drug
mecamylamine	[no description available]	medium	23	0	primary aliphatic amine
ergosterol	[no description available]	medium	1	0	3beta-hydroxy-Delta(5)-steroid; 3beta-sterol; ergostanoid; phytosterols	fungal metabolite; Saccharomyces cerevisiae metabolite
arachidonylcyclopropylamide	[no description available]	medium	5	0
valine	[no description available]	medium	94	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
metaraminol	[no description available]	medium	3	0	phenylethanolamines	alpha-adrenergic agonist; sympathomimetic agent; vasoconstrictor agent
antalarmin	[no description available]	medium	2	0	pyrrolopyrimidine; tertiary amino compound	corticotropin-releasing factor receptor antagonist
pyrroles	[no description available]	medium	9	0	pyrrole; secondary amine
6-cyano-7-nitroquinoxaline-2,3-dione	[no description available]	medium	393	0	quinoxaline derivative
astressin-2b	[no description available]	medium	1	0
methylatropine	[no description available]	medium	10	0
dihydro-beta-erythroidine	[no description available]	medium	17	0	delta-lactone; organic heterotetracyclic compound; tertiary amino compound	nicotinic antagonist
lysine	[no description available]	medium	38	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
biocytin	[no description available]	medium	34	0	azabicycloalkane; L-alpha-amino acid zwitterion; L-lysine derivative; monocarboxylic acid amide; non-proteinogenic L-alpha-amino acid; thiabicycloalkane; ureas	mouse metabolite
quinoxalines	[no description available]	medium	264	0	mancude organic heterobicyclic parent; naphthyridine; ortho-fused heteroarene
boranes	[no description available]	medium	2	0	boranes; mononuclear parent hydride
carbonates	[no description available]	medium	2	0	carbon oxoanion
gaboxadol	[no description available]	medium	85	0	oxazole
isoxazoles	[no description available]	medium	105	0	isoxazoles; mancude organic heteromonocyclic parent; monocyclic heteroarene
staurosporine	[no description available]	medium	5	0	ammonium ion derivative
endomorphin 1	[no description available]	medium	3	0	oligopeptide
phenylalanyl-cyclo(cysteinyltyrosyl-tryptophyl-ornithyl-threonyl-penicillamine)threoninamide	[no description available]	medium	7	0
n-(4-amino-2-methylquinolin-6-yl)-2-(4-ethylphenoxymethyl)benzamide	[no description available]	medium	1	0	aminoquinoline
flavin-adenine dinucleotide	[no description available]	medium	2	0	flavin adenine dinucleotide; vitamin B2	cofactor; Escherichia coli metabolite; human metabolite; mouse metabolite; prosthetic group
xe 991, anthracenone	[no description available]	medium	1	0	anthracenes
coelenterazine	[no description available]	medium	1	0
pyrazines	[no description available]	medium	4	0	diazine; pyrazines	Daphnia magna metabolite
ly 274614	[no description available]	medium	2	0
zinc sulfate	[no description available]	medium	1	0	metal sulfate; zinc molecular entity	fertilizer
midazolam	[no description available]	medium	34	0	imidazobenzodiazepine; monofluorobenzenes; organochlorine compound	anticonvulsant; antineoplastic agent; anxiolytic drug; apoptosis inducer; central nervous system depressant; GABAA receptor agonist; general anaesthetic; muscle relaxant; sedative
glutaminase	[no description available]	medium	1	0
cyclic gmp	[no description available]	medium	18	0	3',5'-cyclic purine nucleotide; guanyl ribonucleotide	Escherichia coli metabolite; human metabolite; mouse metabolite; plant metabolite; Saccharomyces cerevisiae metabolite
phencyclidine	[no description available]	medium	5	0	benzenes; piperidines	anaesthetic; neurotoxin; NMDA receptor antagonist; psychotropic drug
valproic acid	[no description available]	medium	60	1	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
1-(3-chlorophenyl)biguanide	[no description available]	medium	3	0	biguanides; monochlorobenzenes
biguanides	[no description available]	medium	7	0	guanidines
morphinans	[no description available]	medium	3	0	isoquinoline alkaloid fundamental parent; morphinane alkaloid
pd 123319	[no description available]	medium	2	0	imidazopyridine	angiotensin receptor antagonist; endothelin receptor antagonist; vasoconstrictor agent
nad	[no description available]	medium	5	0	organophosphate oxoanion	cofactor; human metabolite; hydrogen acceptor; Saccharomyces cerevisiae metabolite
aminooxyacetic acid	[no description available]	medium	61	0	amino acid; hydroxylamines; monocarboxylic acid	anticonvulsant; EC 2.6.1.19 (4-aminobutyrate--2-oxoglutarate transaminase) inhibitor; EC 4.2.1.22 (cystathionine beta-synthase) inhibitor; nootropic agent
amphetamine	[no description available]	medium	23	0	primary amine
toluene	[no description available]	medium	3	0	methylbenzene; toluenes; volatile organic compound	cholinergic antagonist; fuel additive; neurotoxin; non-polar solvent
mobic	[no description available]	medium	1	0	1,3-thiazoles; benzothiazine; monocarboxylic acid amide	analgesic; antirheumatic drug; cyclooxygenase 2 inhibitor; non-steroidal anti-inflammatory drug
hexamethonium	[no description available]	medium	21	0	quaternary ammonium salt
alpha-pinene	[no description available]	medium	1	0	pinene	plant metabolite
urea	[no description available]	medium	6	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
benzoxazoles	[no description available]	medium	4	0	1,3-benzoxazoles; mancude organic heterobicyclic parent
sb 334867-a	[no description available]	medium	4	0	naphthyridine derivative
lanthanum	[no description available]	medium	6	0	f-block element atom; lanthanoid atom; scandium group element atom
pyridoxal phosphate-6-azophenyl-2',4'-disulfonic acid	[no description available]	medium	4	0	arenesulfonic acid; azobenzenes; methylpyridines; monohydroxypyridine; organic phosphate; pyridinecarbaldehyde	purinergic receptor P2X antagonist
lanthanum chloride	[no description available]	medium	1	0
gadolinium chloride	[no description available]	medium	1	0	gadolinium coordination entity	TRP channel blocker
gadolinium	[no description available]	medium	1	0	f-block element atom; lanthanoid atom
probenecid	[no description available]	medium	2	0	benzoic acids; sulfonamide	uricosuric drug
pyridoxal phosphate	[no description available]	medium	8	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
fluorocitrate	[no description available]	medium	1	0	carbonyl compound
1,7-phenanthroline	[no description available]	medium	2	0	phenanthroline
2,2',3,5',6-pentachlorobiphenyl	[no description available]	medium	1	0
ganaxolone	[no description available]	medium	1	0	corticosteroid hormone
alprazolam	[no description available]	medium	3	0	organochlorine compound; triazolobenzodiazepine	anticonvulsant; anxiolytic drug; GABA agonist; muscle relaxant; sedative; xenobiotic
deoxyglucose	[no description available]	medium	23	0
sch 23390	[no description available]	medium	7	0	benzazepine
oxytocin	[no description available]	medium	27	0	heterodetic cyclic peptide; peptide hormone	oxytocic; vasodilator agent
pituitrin	[no description available]	medium	32	0
finasteride	[no description available]	medium	6	0	3-oxo steroid; aza-steroid; delta-lactam	androgen antagonist; antihyperplasia drug; EC 1.3.1.22 [3-oxo-5alpha-steroid 4-dehydrogenase (NADP(+))] inhibitor
lysophosphatidylcholines	[no description available]	medium	1	0	1-O-acyl-sn-glycero-3-phosphocholine
ammonium chloride	[no description available]	medium	4	0	ammonium salt; inorganic chloride	ferroptosis inhibitor
histamine	[no description available]	medium	17	0	aralkylamino compound; imidazoles	human metabolite; mouse metabolite; neurotransmitter
trypan blue	[no description available]	medium	4	0
isoflurane	[no description available]	medium	19	0	organofluorine compound	inhalation anaesthetic
galantamine	[no description available]	medium	3	0	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
oxidopamine	[no description available]	medium	22	0	benzenetriol; catecholamine; primary amino compound	drug metabolite; human metabolite; neurotoxin
qx-314	[no description available]	medium	16	0	monocarboxylic acid amide	local anaesthetic
piperidines	[no description available]	medium	69	0
am 251	[no description available]	medium	12	0	amidopiperidine; carbohydrazide; dichlorobenzene; organoiodine compound; pyrazoles	antidepressant; antineoplastic agent; apoptosis inducer; CB1 receptor antagonist
enkephalin, ala(2)-mephe(4)-gly(5)-	[no description available]	medium	32	0
dapi	[no description available]	medium	5	0	indoles	fluorochrome
3,4-dihydroxyphenylglycol	[no description available]	medium	13	0	catechols; tetrol	metabolite; mouse metabolite
methoxyhydroxyphenylglycol	[no description available]	medium	15	0	methoxybenzenes; phenols
biotin	[no description available]	medium	16	0	biotins; vitamin B7	coenzyme; cofactor; Escherichia coli metabolite; fundamental metabolite; human metabolite; mouse metabolite; nutraceutical; prosthetic group; Saccharomyces cerevisiae metabolite
memantine	[no description available]	medium	3	0	adamantanes; primary aliphatic amine	antidepressant; antiparkinson drug; dopaminergic agent; neuroprotective agent; NMDA receptor antagonist
caseins	[no description available]	medium	1	0
way 100135	[no description available]	medium	2	0	piperazines
adenosine-3',5'-cyclic phosphorothioate	[no description available]	medium	2	0	nucleoside 3',5'-cyclic phosphorothioate
tetraethylammonium	[no description available]	medium	22	0	quaternary ammonium ion
cgp 52432	[no description available]	medium	12	0	dichlorobenzene
cyanamide	[no description available]	medium	1	0	nitrile; one-carbon compound	EC 1.2.1.3 [aldehyde dehydrogenase (NAD(+))] inhibitor
acetaldehyde	[no description available]	medium	1	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
cadmium	[no description available]	medium	29	0	cadmium molecular entity; zinc group element atom
propranolol	[no description available]	medium	44	0	naphthalenes; propanolamine; secondary amine	anti-arrhythmia drug; antihypertensive agent; anxiolytic drug; beta-adrenergic antagonist; environmental contaminant; human blood serum metabolite; vasodilator agent; xenobiotic
methysergide	[no description available]	medium	31	0	ergoline alkaloid
pyoverdin	[no description available]	medium	1	0
s20098	[no description available]	medium	3	0	acetamides
1-(3-chlorophenyl)piperazine	[no description available]	medium	5	0	monochlorobenzenes; N-arylpiperazine	drug metabolite; environmental contaminant; serotonergic agonist; xenobiotic
mdl 100907	[no description available]	medium	9	0
zd 7288	[no description available]	medium	16	0
clonidine	[no description available]	medium	31	0	clonidine; imidazoline
oxadiazoles	[no description available]	medium	11	0
ketamine	[no description available]	medium	20	0	cyclohexanones; monochlorobenzenes; secondary amino compound	analgesic; environmental contaminant; intravenous anaesthetic; neurotoxin; NMDA receptor antagonist; xenobiotic
oxamic acid	[no description available]	medium	1	0	dicarboxylic acid monoamide	Escherichia coli metabolite
lactic acid	[no description available]	medium	10	0	2-hydroxy monocarboxylic acid	algal metabolite; Daphnia magna metabolite
alpha-cyano-4-hydroxycinnamate	[no description available]	medium	1	0
choline	[no description available]	medium	22	0	cholines	allergen; Daphnia magna metabolite; Escherichia coli metabolite; human metabolite; mouse metabolite; neurotransmitter; nutrient; plant metabolite; Saccharomyces cerevisiae metabolite
pnu 120596	[no description available]	medium	1	0	ureas
methionine	[no description available]	medium	3	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
lysylglycine	[no description available]	medium	1	0	dipeptide	metabolite
fluoxetine	[no description available]	medium	11	0	(trifluoromethyl)benzenes; aromatic ether; secondary amino compound
fluorobenzenes	[no description available]	medium	5	0	monofluorobenzenes	NMR chemical shift reference compound
beta-escin	[no description available]	medium	4	0
saikosaponin d	[no description available]	medium	1	0
ondansetron	[no description available]	medium	6	0	carbazoles
leptin	[no description available]	medium	2	0
kn 92	[no description available]	medium	1	0
homocysteine	[no description available]	medium	26	0	amino acid zwitterion; homocysteine; serine family amino acid	fundamental metabolite; mouse metabolite
homocysteic acid	[no description available]	medium	21	0	homocysteic acid	NMDA receptor agonist
carbidopa	[no description available]	medium	2	0
cytidine diphosphate choline	[no description available]	medium	1	0	nucleotide-(amino alcohol)s; phosphocholines	human metabolite; mouse metabolite; neuroprotective agent; psychotropic drug; Saccharomyces cerevisiae metabolite
carbidopa, levodopa drug combination	[no description available]	medium	1	0
formaldehyde	[no description available]	medium	16	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
thiourea	[no description available]	medium	3	0	one-carbon compound; thioureas; ureas	antioxidant; chromophore
kb r7943	[no description available]	medium	1	0
niacinamide	[no description available]	medium	5	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
ym 244769	[no description available]	medium	1	0
apelin-13 peptide	[no description available]	medium	1	0	oligopeptide	antihypertensive agent; autophagy inhibitor; biomarker; human metabolite; neuroprotective agent
8-hydroxy-2-(di-n-propylamino)tetralin	[no description available]	medium	27	0	phenols; tertiary amino compound; tetralins	serotonergic antagonist
carnitine	[no description available]	medium	1	0	amino-acid betaine	human metabolite; mouse metabolite
4-iodo-2,5-dimethoxyphenylisopropylamine	[no description available]	medium	9	0	amphetamines; dimethoxybenzene; organoiodine compound
4-carboxyphenylglycine	[no description available]	medium	2	0	alpha-amino acid
ly 341495	[no description available]	medium	5	0
xanthenes	[no description available]	medium	11	0	xanthene
adenine	[no description available]	medium	4	0	6-aminopurines; purine nucleobase	Daphnia magna metabolite; Escherichia coli metabolite; human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite
9-(tetrahydro-2-furyl)-adenine	[no description available]	medium	1	0
5-carboxamidotryptamine	[no description available]	medium	4	0	tryptamines
guanosine 5'-o-(3-thiotriphosphate)	[no description available]	medium	6	0	nucleoside triphosphate analogue
emoxypine succinate	[no description available]	medium	3	0
adamantane	[no description available]	medium	3	0	adamantanes; polycyclic alkane
sm 346	[no description available]	medium	3	0
urb 597	[no description available]	medium	3	0	biphenyls
carbamates	[no description available]	medium	6	0	amino-acid anion
astressin b	[no description available]	medium	1	0
metyrapone	[no description available]	medium	1	0	aromatic ketone	antimetabolite; diagnostic agent; EC 1.14.15.4 (steroid 11beta-monooxygenase) inhibitor
luzindole	[no description available]	medium	2	0	acetamides; indoles	melatonin receptor antagonist
biotinamide	[no description available]	medium	1	0	biotins; monocarboxylic acid amide	human 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
beta-alanine	[no description available]	medium	19	0	amino acid zwitterion; beta-amino acid	agonist; fundamental metabolite; human metabolite; inhibitor; neurotransmitter
uridine	[no description available]	medium	2	0	uridines	drug metabolite; fundamental metabolite; human metabolite
sulfasalazine	[no description available]	medium	2	0
tacrolimus	[no description available]	medium	5	0	macrolide lactam	bacterial metabolite; immunosuppressive agent
leupeptins	[no description available]	medium	4	0
benzyloxycarbonylleucyl-leucyl-leucine aldehyde	[no description available]	medium	3	0	amino aldehyde; carbamate ester; tripeptide	proteasome inhibitor
ro 19-4603	[no description available]	medium	1	0	organonitrogen heterocyclic compound; organosulfur heterocyclic compound; tert-butyl ester
naftopidil	[no description available]	medium	1	0	piperazines
sk&f 95282	[no description available]	medium	1	0	piperidines
radolmidine	[no description available]	medium	1	0
potassium chloride	[no description available]	medium	50	0	inorganic chloride; inorganic potassium salt; potassium salt	fertilizer
leucine	[no description available]	medium	7	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
ggti 2147	[no description available]	medium	1	0
cardiovascular agents	[no description available]	medium	5	0
moxonidine	[no description available]	medium	2	0	organohalogen compound; pyrimidines
citrulline	[no description available]	medium	4	0	amino acid zwitterion; citrulline	Daphnia magna metabolite; EC 1.14.13.39 (nitric oxide synthase) inhibitor; Escherichia coli metabolite; human metabolite; micronutrient; mouse metabolite; nutraceutical; plant metabolite; protective agent; Saccharomyces cerevisiae metabolite
enkephalin, methionine	[no description available]	medium	23	0
salvinorin a	[no description available]	medium	1	0	organic heterotricyclic compound; organooxygen compound	metabolite; oneirogen
citalopram	[no description available]	medium	4	0	2-benzofurans; cyclic ether; nitrile; organofluorine compound; tertiary amino compound
asenapine	[no description available]	medium	1	0	5-chloro-2-methyl-2,3,3a,12b-tetrahydrodibenzo[2,3:6,7]oxepino[4,5-c]pyrrole
n-nitrosoarginine	[no description available]	medium	1	0
aminoglutethimide	[no description available]	medium	1	0	dicarboximide; piperidones; substituted aniline	adrenergic agent; anticonvulsant; antineoplastic agent; EC 1.14.14.14 (aromatase) inhibitor
indazoles	[no description available]	medium	4	0	indazole
cobalt	[no description available]	medium	20	0	cobalt group element atom; metal allergen	micronutrient
cobaltous chloride	[no description available]	medium	2	0	cobalt salt; inorganic chloride	allergen; calcium channel blocker; sensitiser; two-colour indicator
thapsigargicin	[no description available]	medium	1	0
protopanaxadiol	[no description available]	medium	1	0
protopanaxatriol	[no description available]	medium	1	0
sapogenins	[no description available]	medium	1	0
etifoxine	[no description available]	medium	4	0	benzoxazine
17-alpha-hydroxypregnenolone	[no description available]	medium	1	0	17alpha-hydroxy-C21-steroid; 17alpha-hydroxy steroid; 3beta-hydroxy-Delta(5)-steroid; hydroxypregnenolone; tertiary alpha-hydroxy ketone	human metabolite; mouse metabolite
20-alpha-dihydroprogesterone	[no description available]	medium	2	0	20-hydroxypregn-4-en-3-one	human metabolite; mouse metabolite
dehydroepiandrosterone	[no description available]	medium	6	0	17-oxo steroid; 3beta-hydroxy-Delta(5)-steroid; androstanoid	androgen; human metabolite; mouse metabolite
triakontatetraneuropeptide	[no description available]	medium	1	0
cgp 55845a	[no description available]	medium	46	0
olanzapine	[no description available]	medium	1	0	benzodiazepine; N-arylpiperazine; N-methylpiperazine	antiemetic; dopaminergic antagonist; histamine antagonist; muscarinic antagonist; second generation antipsychotic; serotonergic antagonist; serotonin uptake inhibitor
sb 399885	[no description available]	medium	1	0
2-(4-(2-carboxyethyl)phenethylamino)-5'-n-ethylcarboxamidoadenosine	[no description available]	medium	12	0	adenosines; dicarboxylic acid monoamide; monocarboxylic acid	adenosine A2A receptor agonist; anti-inflammatory agent
zacopride	[no description available]	medium	1	0	benzamides
beta-amyrin	[no description available]	medium	1	0	pentacyclic triterpenoid; secondary alcohol	Aspergillus metabolite; plant metabolite
triazoles	[no description available]	medium	15	0	1,2,3-triazole
1-aminocyclobutanecarboxylic acid	[no description available]	medium	1	0	L-alpha-amino acid
aluminum	[no description available]	medium	1	0	boron group element atom; elemental aluminium; metal atom
kn 93	[no description available]	medium	2	0	monochlorobenzenes; monomethoxybenzene; primary alcohol; sulfonamide; tertiary amino compound	EC 2.7.11.17 (Ca(2+)/calmodulin-dependent protein kinase) inhibitor; geroprotector
staurosporine aglycone	[no description available]	medium	4	0
enkephalin, leucine	[no description available]	medium	38	0	pentapeptide; peptide zwitterion	analgesic; delta-opioid receptor agonist; human metabolite; mu-opioid receptor agonist; neurotransmitter; rat metabolite
preproenkephalin	[no description available]	medium	2	0
neuropeptide y	[no description available]	medium	18	0
phenyl-n-tert-butylnitrone	[no description available]	medium	2	0
3-hydroxyflavone	[no description available]	medium	1	0	flavonols; monohydroxyflavone
potassium cyanide	[no description available]	medium	2	0	cyanide salt; one-carbon compound; potassium salt	EC 1.15.1.1 (superoxide dismutase) inhibitor; EC 1.9.3.1 (cytochrome c oxidase) inhibitor; neurotoxin
tiagabine	[no description available]	medium	3	0	beta-amino acid; piperidinemonocarboxylic acid; tertiary amino compound; thiophenes	anticonvulsant; GABA reuptake inhibitor
methamphetamine	[no description available]	medium	11	0	amphetamines; secondary amine	central nervous system stimulant; environmental contaminant; neurotoxin; psychotropic drug; xenobiotic
3-cyano-n-(1,3-diphenyl-1h-pyrazol-5-yl)benzamide	[no description available]	medium	2	0
afdx 116	[no description available]	medium	2	0	benzodiazepine
pirenzepine	[no description available]	medium	10	0	pyridobenzodiazepine	anti-ulcer drug; antispasmodic drug; muscarinic antagonist
alkenes	[no description available]	medium	1	0
bisphenol a	[no description available]	medium	3	0	bisphenol	endocrine disruptor; environmental contaminant; xenobiotic; xenoestrogen
sdz wag-994	[no description available]	medium	1	0
cgp 56999a	[no description available]	medium	1	0
n-vinyl-2-pyrrolidinone	[no description available]	medium	1	0	pyrrolidin-2-ones
silver	[no description available]	medium	1	0	copper group element atom; elemental silver	Escherichia coli metabolite
silver nitrate	[no description available]	medium	1	0	inorganic nitrate salt; silver salt	astringent
plerixafor	[no description available]	medium	1	0	azacycloalkane; azamacrocycle; benzenes; crown amine; secondary amino compound; tertiary amino compound	anti-HIV agent; antineoplastic agent; C-X-C chemokine receptor type 4 antagonist; immunological adjuvant
chlorine	[no description available]	medium	11	0	diatomic chlorine; gas molecular entity	bleaching agent
serine	[no description available]	medium	12	0	L-alpha-amino acid; proteinogenic amino acid; serine family amino acid; serine zwitterion; serine	algal metabolite; Escherichia coli metabolite; human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite
ro 4956371	[no description available]	medium	1	0
humanin	[no description available]	medium	1	0
idazoxan	[no description available]	medium	10	0	benzodioxine; imidazolines	alpha-adrenergic antagonist
benoxathian	[no description available]	medium	1	0
phenyl acetate	[no description available]	medium	17	0	benzenes; phenyl acetates
((2-n-butyl-6,7-dichloro-2-cyclopentyl-2,3-dihydro-1-oxo-1h-inden-5-yl)oxy)acetic acid	[no description available]	medium	1	0
methylmercuric chloride	[no description available]	medium	1	0	chlorine molecular entity; mercury coordination entity; one-carbon compound
sucrose	[no description available]	medium	8	0	glycosyl glycoside	algal metabolite; Escherichia coli metabolite; human metabolite; mouse metabolite; osmolyte; Saccharomyces cerevisiae metabolite; sweetening agent
alpha-synuclein	[no description available]	medium	2	0
fluorodeoxyglucose f18	[no description available]	medium	1	0	2-deoxy-2-((18)F)fluoro-D-glucose; 2-deoxy-2-fluoro-aldehydo-D-glucose
y 27632	[no description available]	medium	2	0	aromatic amide
chelerythrine	[no description available]	medium	4	0	benzophenanthridine alkaloid; organic cation	antibacterial agent; antineoplastic agent; EC 2.7.11.13 (protein kinase C) inhibitor
metformin	[no description available]	medium	1	0	guanidines	environmental contaminant; geroprotector; hypoglycemic agent; xenobiotic
penicillin g	[no description available]	medium	16	0	penicillin allergen; penicillin	antibacterial drug; drug allergen; epitope
cetirizine	[no description available]	medium	1	0	ether; monocarboxylic acid; monochlorobenzenes; piperazines	anti-allergic agent; environmental contaminant; H1-receptor antagonist; xenobiotic
1,2-bis(2-aminophenoxy)ethane n,n,n',n'-tetraacetic acid acetoxymethyl ester	[no description available]	medium	6	0
imidazenil	[no description available]	medium	5	0
diphenyldiselenide	[no description available]	medium	1	0
ketanserin	[no description available]	medium	12	0	aromatic ketone; organofluorine compound; piperidines; quinazolines	alpha-adrenergic antagonist; antihypertensive agent; cardiovascular drug; EC 3.4.21.26 (prolyl oligopeptidase) inhibitor; serotonergic antagonist
lupeol	[no description available]	medium	1	0	pentacyclic triterpenoid; secondary alcohol	anti-inflammatory drug; plant metabolite
phalloidine	[no description available]	medium	1	0	homodetic cyclic peptide
blister	[no description available]	medium	1	0	cyclic ketone; pyrroloquinoline; tertiary alcohol; tertiary alpha-hydroxy ketone	inhibitor
trimethylolpropane	[no description available]	medium	1	0	primary alcohol
sk&f 97541	[no description available]	medium	12	0
organophosphonates	[no description available]	medium	4	0	divalent inorganic anion; phosphite ion
dihydroergotoxine	[no description available]	medium	2	0
isoguvacine	[no description available]	medium	35	0	tetrahydropyridine
thiopental	[no description available]	medium	14	0	barbiturates	anticonvulsant; drug allergen; environmental contaminant; intravenous anaesthetic; sedative; xenobiotic
cp 93129	[no description available]	medium	2	0	pyrrolopyridine
verruculogen	[no description available]	medium	1	0	aromatic ether; diol; indole alkaloid; organic heterohexacyclic compound; organic peroxide	Aspergillus metabolite; GABA modulator; mycotoxin; Penicillium metabolite; potassium channel blocker
hypoxanthine	[no description available]	medium	3	0	nucleobase analogue; oxopurine; purine nucleobase	fundamental metabolite
fentanyl	[no description available]	medium	8	0	anilide; monocarboxylic acid amide; piperidines	adjuvant; anaesthesia adjuvant; anaesthetic; intravenous anaesthetic; mu-opioid receptor agonist; opioid analgesic
halothane	[no description available]	medium	19	0	haloalkane; organobromine compound; organochlorine compound; organofluorine compound	inhalation anaesthetic
bw a868c	[no description available]	medium	3	0	imidazolidine-2,4-dione
hydantoins	[no description available]	medium	3	0	imidazolidine-2,4-dione
tyrosine	[no description available]	medium	7	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
sodium cyanide	[no description available]	medium	3	0	cyanide salt; one-carbon compound; sodium salt	EC 1.15.1.1 (superoxide dismutase) inhibitor
seletracetam	[no description available]	medium	1	0	organonitrogen compound; organooxygen compound
levetiracetam	[no description available]	medium	8	0	pyrrolidin-2-ones	anticonvulsant; environmental contaminant; xenobiotic
tetramethylammonium	[no description available]	medium	1	0	quaternary ammonium ion
bethanechol	[no description available]	medium	1	0	carbamate ester; quaternary ammonium ion	muscarinic agonist
thiophenes	[no description available]	medium	4	0	mancude organic heteromonocyclic parent; monocyclic heteroarene; thiophenes; volatile organic compound	non-polar solvent
1,2-bis(2-aminophenoxy)ethane-n,n,n',n'-tetraacetic acid	[no description available]	medium	22	0	polyamino carboxylic acid; tetracarboxylic acid	chelator
2-(2,3-dicarboxycyclopropyl)glycine	[no description available]	medium	5	0
delta-philanthotoxin	[no description available]	medium	1	0
potassium cyanate	[no description available]	medium	1	0	cyanate salt; one-carbon compound	herbicide
cyanates	[no description available]	medium	1	0
2-(methylamino)isobutyric acid	[no description available]	medium	1	0	alanine derivative; alpha-amino acid zwitterion; non-proteinogenic alpha-amino acid; secondary amino compound	human urinary metabolite
strontium	[no description available]	medium	6	0	alkaline earth metal atom
methyllycaconitine	[no description available]	medium	11	0
aconitine	[no description available]	medium	14	0
quinpirole	[no description available]	medium	14	0	pyrazoloquinoline	dopamine agonist
atrial natriuretic factor	[no description available]	medium	3	0	polypeptide
sincalide	[no description available]	medium	6	0	oligopeptide
tetrahydrojateorrhizine	[no description available]	medium	1	0
berberrubine	[no description available]	medium	1	0
berberine	[no description available]	medium	2	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
methanol	[no description available]	medium	4	0	alkyl alcohol; one-carbon compound; primary alcohol; volatile organic compound	amphiprotic solvent; Escherichia coli metabolite; fuel; human metabolite; mouse metabolite; Mycoplasma genitalium metabolite
n-methyl-dl-aspartic acid	[no description available]	medium	4	0	aspartic acid derivative
phenylephrine	[no description available]	medium	20	0	phenols; phenylethanolamines; secondary amino compound	alpha-adrenergic agonist; cardiotonic drug; mydriatic agent; nasal decongestant; protective agent; sympathomimetic agent; vasoconstrictor agent
l 158809	[no description available]	medium	1	0
nitrous oxide	[no description available]	medium	5	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
cgp 46381	[no description available]	medium	2	0
carbodiimides	[no description available]	medium	1	0	carbodiimide
6-aminomethyl-3-methyl-4h-1,2,4-benzothiadiazine 1,1-dioxide	[no description available]	medium	4	0
2-aminoethoxydiphenyl borate	[no description available]	medium	2	0	organoboron compound; primary amino compound	calcium channel blocker; IP3 receptor antagonist; potassium channel opener
glyceryl 2-arachidonate	[no description available]	medium	3	0	2-acylglycerol 20:4; endocannabinoid	human metabolite
sr141716	[no description available]	medium	8	0	amidopiperidine; carbohydrazide; dichlorobenzene; monochlorobenzenes; pyrazoles	anti-obesity agent; appetite depressant; CB1 receptor antagonist
erythrosine	[no description available]	medium	4	0
nicardipine	[no description available]	medium	5	0	benzenes; C-nitro compound; diester; dihydropyridine; methyl ester; tertiary amino compound
tamoxifen	[no description available]	medium	3	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
dehydroepiandrosterone sulfate	[no description available]	medium	8	0	17-oxo steroid; steroid sulfate	EC 2.7.1.33 (pantothenate kinase) inhibitor; human metabolite; mouse metabolite
bd 1047	[no description available]	medium	2	0	primary amine
alpha-methylserotonin	[no description available]	medium	4	0	tryptamines	serotonergic agonist
amyloid beta-peptides	[no description available]	medium	1	0
racemetirosine	[no description available]	medium	7	0
granisetron	[no description available]	medium	3	0	aromatic amide; indazoles
vofopitant	[no description available]	medium	1	0
flupenthixol	[no description available]	medium	3	0	thioxanthenes
gyki 52466	[no description available]	medium	4	0	benzodiazepine
1-(5-isoquinolinesulfonyl)-2-methylpiperazine	[no description available]	medium	3	0	isoquinolines; N-sulfonylpiperazine	EC 2.7.11.13 (protein kinase C) inhibitor
kn 62	[no description available]	medium	2	0	piperazines
kn 04	[no description available]	medium	1	0
ryanodine	[no description available]	medium	4	0
desoxycorticosterone	[no description available]	medium	22	0	20-oxo steroid; 21-hydroxy steroid; 3-oxo-Delta(4) steroid; mineralocorticoid; primary alpha-hydroxy ketone	human metabolite; mouse metabolite
glucaric acid	[no description available]	medium	1	0	glucaric acid	antineoplastic agent
letrozole	[no description available]	medium	1	0	nitrile; triazoles	antineoplastic agent; EC 1.14.14.14 (aromatase) inhibitor
fulvestrant	[no description available]	medium	4	0	17beta-hydroxy steroid; 3-hydroxy steroid; organofluorine compound; sulfoxide	antineoplastic agent; estrogen antagonist; estrogen receptor antagonist
carboxypiperazinyl propylphosphonic acid	[no description available]	medium	1	0
aldosterone	[no description available]	medium	1	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
dronabinol	[no description available]	medium	7	0	benzochromene; diterpenoid; phytocannabinoid; polyketide	cannabinoid receptor agonist; epitope; hallucinogen; metabolite; non-narcotic analgesic
1,1-dimethylheptyl-11-hydroxytetrahydrocannabinol	[no description available]	medium	2	0
cadmium chloride	[no description available]	medium	8	0	cadmium coordination entity
dantrolene	[no description available]	medium	3	0	hydrazone; imidazolidine-2,4-dione	muscle relaxant; neuroprotective agent; ryanodine receptor antagonist
muromonab-cd3	[no description available]	medium	1	0	alkaloid; macrocycle; organic heteropentacyclic compound; organonitrogen heterocyclic compound; oxacycle; tertiary amino compound	antineoplastic agent; EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor; IP3 receptor antagonist; marine metabolite
1-(2-(3-(4-methoxyphenyl)propoxy)-4-methoxyphenylethyl)-1h-imidazole	[no description available]	medium	2	0	ether; imidazoles; monomethoxybenzene	TRP channel blocker
oxazoles	[no description available]	medium	67	0	1,3-oxazoles; mancude organic heteromonocyclic parent; monocyclic heteroarene
5-methoxy 3-(1,2,3,6-tetrahydro-4-pyridinyl)1h indole	[no description available]	medium	1	0	indoles
zonisamide	[no description available]	medium	1	0	1,2-benzoxazoles; sulfonamide	anticonvulsant; antioxidant; central nervous system drug; protective agent; T-type calcium channel blocker
epidermal growth factor	[no description available]	medium	1	0
nickel chloride	[no description available]	medium	4	0	nickel coordination entity	calcium channel blocker; hapten
nickel	[no description available]	medium	16	0	metal allergen; nickel group element atom	epitope; micronutrient
sildenafil citrate	[no description available]	medium	2	0	citrate salt	EC 3.1.4.35 (3',5'-cyclic-GMP phosphodiesterase) inhibitor; vasodilator agent
arginine vasopressin	[no description available]	medium	12	0	vasopressin	cardiovascular drug; hematologic agent; mitogen
sb 269970	[no description available]	medium	2	0	sulfonamide
guanosine 5'-o-(2-thiodiphosphate)	[no description available]	medium	4	0	nucleoside diphosphate analogue
zm 241385	[no description available]	medium	2	0	diamino-1,3,5-triazine
guanosine diphosphate	[no description available]	medium	5	0	guanosine 5'-phosphate; purine ribonucleoside 5'-diphosphate	Escherichia coli metabolite; mouse metabolite; uncoupling protein inhibitor
clonazepam	[no description available]	medium	26	0	1,4-benzodiazepinone; monochlorobenzenes	anticonvulsant; anxiolytic drug; GABA modulator
isoproterenol	[no description available]	medium	10	0	catechols; secondary alcohol; secondary amino compound	beta-adrenergic agonist; bronchodilator agent; cardiotonic drug; sympathomimetic agent
bacoside a	[no description available]	medium	2	0	triterpenoid saponin
ap20187	[no description available]	medium	1	0	aromatic ether; carboxylic ester; N-acylpiperidine; tertiary amino compound	ligand
cytochrome c-t	[no description available]	medium	3	0
clenbuterol	[no description available]	medium	2	0	amino alcohol; dichlorobenzene; ethanolamines; primary arylamine; secondary amino compound; substituted aniline	beta-adrenergic agonist; bronchodilator agent; sympathomimetic agent
ici 118551	[no description available]	medium	3	0	aromatic ether; indanes; secondary alcohol; secondary amino compound	beta-adrenergic antagonist
l796778	[no description available]	medium	1	0	benzenes; C-nitro compound; L-lysine derivative; L-phenylalanine derivative; methyl ester; oligopeptide; secondary carboxamide; ureas	somatostatin receptor agonist
vialinin a	[no description available]	medium	1	0
chlornaltrexamine	[no description available]	medium	1	0
concanavalin a	[no description available]	medium	3	0
dermorphin	[no description available]	medium	1	0	oligopeptide
d-aspartic acid	[no description available]	medium	1	0	aspartic acid; D-alpha-amino acid	mouse metabolite
natriuretic peptide, c-type	[no description available]	medium	1	0
2-amino-5-phosphono-3-pentenoic acid	[no description available]	medium	3	0
natriuretic peptide, brain	[no description available]	medium	1	0	polypeptide
n-(4,4-diphenyl-3-butenyl)nipecotic acid	[no description available]	medium	16	0	diarylmethane
wb 4101	[no description available]	medium	1	0	aromatic ether; benzodioxine; secondary amino compound	alpha-adrenergic antagonist
n-methylactinodaphnine	[no description available]	medium	1	0	aporphine alkaloid
neurotensin	[no description available]	medium	9	0	peptide hormone	human metabolite; mitogen; neurotransmitter; vulnerary
6-chloro-2-(1-piperazinyl)pyrazine	[no description available]	medium	2	0	N-arylpiperazine
ecopipam	[no description available]	medium	1	0	benzazepine
flurothyl	[no description available]	medium	10	0	ether
calpain	[no description available]	medium	1	0
melanotan-ii	[no description available]	medium	1	0	organic molecular entity
shu 9119	[no description available]	medium	3	0
clonixin	[no description available]	medium	1	0	aminopyridine; organochlorine compound; pyridinemonocarboxylic acid	antipyretic; EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor; lipoxygenase inhibitor; non-narcotic analgesic; non-steroidal anti-inflammatory drug; platelet aggregation inhibitor; vasodilator agent
flunixin meglumine	[no description available]	medium	1	0	organoammonium salt	antipyretic; EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor; non-narcotic analgesic; non-steroidal anti-inflammatory drug
iberiotoxin	[no description available]	medium	1	0
ascorbic acid	[no description available]	medium	2	0	ascorbic acid; vitamin C	coenzyme; cofactor; flour treatment agent; food antioxidant; food colour retention agent; geroprotector; plant metabolite; skin lightening agent
ginsenoside rb3	[no description available]	medium	1	0	12beta-hydroxy steroid; beta-D-glucoside; disaccharide derivative; ginsenoside; tetracyclic triterpenoid	antidepressant; antioxidant; cardioprotective agent; neuroprotective agent; NMDA receptor antagonist; plant metabolite
ginsenosides	[no description available]	medium	2	0
adipic acid	[no description available]	medium	1	0	alpha,omega-dicarboxylic acid; dicarboxylic fatty acid	food acidity regulator; human xenobiotic metabolite
ethylenediamine	[no description available]	medium	6	0	alkane-alpha,omega-diamine	GABA agonist
hydrogen carbonate	[no description available]	medium	15	0	carbon oxoanion	cofactor; Escherichia coli metabolite; human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite
antipyrine	[no description available]	medium	2	0	pyrazolone	antipyretic; cyclooxygenase 3 inhibitor; environmental contaminant; non-narcotic analgesic; non-steroidal anti-inflammatory drug; xenobiotic
iodoantipyrine	[no description available]	medium	2	0
2-aminoisobutyric acid	[no description available]	medium	2	0	2,2-dialkylglycine zwitterion; 2,2-dialkylglycine
thromboxane a2	[no description available]	medium	1	0	epoxy monocarboxylic acid; thromboxanes A	mouse metabolite
15-hydroxy-11 alpha,9 alpha-(epoxymethano)prosta-5,13-dienoic acid	[no description available]	medium	2	0
5,7-dihydroxy-6-methoxy-2-phenylchromen-4-one	[no description available]	medium	1	0	dihydroxyflavone; monomethoxyflavone	antineoplastic agent; EC 1.14.13.39 (nitric oxide synthase) inhibitor
sodium glutamate	[no description available]	medium	4	0	monosodium glutamate	flavouring agent
3-hydroxybutyric acid	[no description available]	medium	2	0	(omega-1)-hydroxy fatty acid; 3-hydroxy monocarboxylic acid; hydroxybutyric acid	human metabolite
pyruvic acid	[no description available]	medium	2	0	2-oxo monocarboxylic acid	cofactor; fundamental metabolite
1,4-dihydropyridine	[no description available]	medium	2	0
dihydropyridines	[no description available]	medium	7	0
kynurenine	[no description available]	medium	5	0	aromatic ketone; non-proteinogenic alpha-amino acid; substituted aniline	human metabolite
(+)-erythravine	[no description available]	medium	1	0
h 89	[no description available]	medium	5	0	N-[2-(4-bromocinnamylamino)ethyl]isoquinoline-5-sulfonamide
tropisetron	[no description available]	medium	6	0	indolyl carboxylic acid
tert-butylhydroperoxide	[no description available]	medium	1	0	alkyl hydroperoxide	antibacterial agent; oxidising agent
8-bromoguanosino-3',5'-cyclic monophosphorothioate	[no description available]	medium	1	0
galactose	[no description available]	medium	1	0
emetine	[no description available]	medium	2	0	isoquinoline alkaloid; pyridoisoquinoline	antiamoebic agent; anticoronaviral agent; antiinfective agent; antimalarial; antineoplastic agent; antiprotozoal drug; antiviral agent; autophagy inhibitor; emetic; expectorant; plant metabolite; protein synthesis inhibitor
6-methyl-2-(phenylethynyl)pyridine	[no description available]	medium	9	0	acetylenic compound; methylpyridines	anxiolytic drug; metabotropic glutamate receptor antagonist
thiosemicarbazide	[no description available]	medium	16	0	hydrazines; thiocarboxamide; thioureas
isoniazid	[no description available]	medium	22	0	carbohydrazide	antitubercular agent; drug allergen
pyrimidinones	[no description available]	medium	2	0
epibatidine	[no description available]	medium	1	0
protopine	[no description available]	medium	3	0	dibenzazecine alkaloid	plant metabolite
tetrahydropalmatine	[no description available]	medium	2	0
oxymatrine	[no description available]	medium	2	0	alkaloid; tertiary amine oxide
n,n'-dibenzhydrylethane-1,2-diamine dihydrochloride	[no description available]	medium	1	0	hydrochloride	geroprotector; metabotropic glutamate receptor agonist; neuroprotective agent
alpha-methyl-4-carboxyphenylglycine	[no description available]	medium	10	0	non-proteinogenic alpha-amino acid	metabotropic glutamate receptor antagonist
4-amino-2-methylquinoline	[no description available]	medium	1	0
phorbol-12,13-dibenzoate	[no description available]	medium	1	0
tert-butylbicyclophosphorothionate	[no description available]	medium	53	0	organic thiophosphate
topiramate	[no description available]	medium	2	0	cyclic ketal; ketohexose derivative; sulfamate ester	anticonvulsant; sodium channel blocker
D-fructopyranose	[no description available]	medium	2	0	cyclic hemiketal; D-fructose; fructopyranose	sweetening agent
ro 25-6981	[no description available]	medium	2	0	benzenes; phenols; piperidines; secondary alcohol; tertiary amino compound	anticonvulsant; antidepressant; neuroprotective agent; NMDA receptor antagonist
evans blue	[no description available]	medium	10	0	organic sodium salt	fluorochrome; histological dye; sodium channel blocker; teratogenic agent
sodium oxybate	[no description available]	medium	12	0
sermorelin	[no description available]	medium	1	0
alanine	[no description available]	medium	23	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
thymine	[no description available]	medium	1	0	pyrimidine nucleobase; pyrimidone	Escherichia coli metabolite; human metabolite; mouse metabolite
3,5-dihydroxyphenylglycine	[no description available]	medium	4	0	alpha-amino acid
tetramethylenedisulfotetramine	[no description available]	medium	2	0
physostigmine salicylate	[no description available]	medium	1	0	azaheterocycle salicylate salt; salicylates
nitrites	[no description available]	medium	5	0	monovalent inorganic anion; nitrogen oxoanion; reactive nitrogen species	human metabolite
nitrates	[no description available]	medium	6	0	monovalent inorganic anion; nitrogen oxoanion; reactive nitrogen species
mephenesin	[no description available]	medium	1	0	aromatic ether; glycerol ether
mefloquine	[no description available]	medium	2	0
almorexant	[no description available]	medium	1	0	isoquinolines
allylglycine	[no description available]	medium	20	0
4,7,10,13,16,19-docosahexaenoic acid dopamine conjugate	[no description available]	medium	1	0
lithium carbonate	[no description available]	medium	1	0	carbonate salt; lithium salt	antimanic drug
trans-metanicotine	[no description available]	medium	1	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
lead nitrate	[no description available]	medium	1	0	inorganic nitrate salt; lead coordination entity
lead	[no description available]	medium	3	0	carbon group element atom; elemental lead; metal atom	neurotoxin
su 10603	[no description available]	medium	1	0
mannich bases	[no description available]	medium	1	0
candesartan	[no description available]	medium	2	0	benzimidazolecarboxylic acid; biphenylyltetrazole	angiotensin receptor antagonist; antihypertensive agent; environmental contaminant; xenobiotic
ro 25-1553	[no description available]	medium	1	0
maxadilan protein, insect	[no description available]	medium	1	0
4,4-difluoro-4-bora-3a,4a-diaza-s-indacene	[no description available]	medium	1	0	BODIPY compound
substance p, sar(9)-met(o2)(11)-	[no description available]	medium	1	0
strophanthidin	[no description available]	medium	3	0	14beta-hydroxy steroid; 19-oxo steroid; 3beta-hydroxy steroid; 5beta-hydroxy steroid; cardenolides; steroid aldehyde
omega-agatoxin iva	[no description available]	medium	5	0
snx 230	[no description available]	medium	2	0
laudanosine	[no description available]	medium	2	0	isoquinolines
saccharin	[no description available]	medium	2	0	1,2-benzisothiazole; N-sulfonylcarboxamide	environmental contaminant; sweetening agent; xenobiotic
indophenol	[no description available]	medium	2	0	quinone imine	dye
nan 190	[no description available]	medium	6	0	N-alkylpiperazine; N-arylpiperazine; phthalimides	serotonergic antagonist
ro 15-4513	[no description available]	medium	12	0	organic heterotricyclic compound; organonitrogen heterocyclic compound
azides	[no description available]	medium	14	0	pseudohalide anion	mitochondrial respiratory-chain inhibitor
cp 99994	[no description available]	medium	1	0
cefoselis	[no description available]	medium	1	0
1-methyl-4-phenyl-1,2,3,6-tetrahydropyridine	[no description available]	medium	4	0	methylpyridines; phenylpyridine; tetrahydropyridine	neurotoxin
barakol	[no description available]	medium	1	0
naltrindole	[no description available]	medium	4	0	isoquinolines
enkephalin, d-penicillamine (2,5)-	[no description available]	medium	7	0	heterodetic cyclic peptide	delta-opioid receptor agonist
cytarabine	[no description available]	medium	5	0	beta-D-arabinoside; monosaccharide derivative; pyrimidine nucleoside	antimetabolite; antineoplastic agent; antiviral agent; immunosuppressive agent
n(4)-chloroacetylcytosine arabinoside	[no description available]	medium	4	0
cyclosporine	[no description available]	medium	2	0
estradiol 3-benzoate	[no description available]	medium	3	0	17beta-hydroxy steroid; benzoate ester	estrogen receptor agonist; xenoestrogen
dihydrotestosterone	[no description available]	medium	5	0	17beta-hydroxy steroid; 17beta-hydroxyandrostan-3-one; 3-oxo-5alpha-steroid	androgen; Daphnia magna metabolite; human metabolite; mouse metabolite
androstane-3,17-diol	[no description available]	medium	1	0	17-hydroxy steroid; 3-hydroxy steroid; androstanoid
omega-n-methylarginine	[no description available]	medium	3	0	amino acid zwitterion; arginine derivative; guanidines; L-arginine derivative; non-proteinogenic L-alpha-amino acid
cryptopine	[no description available]	medium	1	0
(+-)stylopine	[no description available]	medium	1	0
beta-endorphin	[no description available]	medium	11	0
salicylates	[no description available]	medium	2	0	monohydroxybenzoate	plant metabolite
neostigmine	[no description available]	medium	3	0	quaternary ammonium ion	antidote to curare poisoning; EC 3.1.1.7 (acetylcholinesterase) inhibitor
oxotremorine m	[no description available]	medium	1	0	quaternary ammonium ion	muscarinic agonist
oxotremorine	[no description available]	medium	10	0	N-alkylpyrrolidine
xanomeline	[no description available]	medium	1	0	tetrahydropyridine; thiadiazoles	muscarinic agonist; serotonergic agonist
ar-r 17779	[no description available]	medium	2	0
picrotoxinin	[no description available]	medium	27	0
bilobalide	[no description available]	medium	2	0	sesquiterpene lactone
cyclopentane	[no description available]	medium	5	0	cycloalkane; cyclopentanes; volatile organic compound	non-polar solvent
5,7-dihydroxytryptamine	[no description available]	medium	5	0
u-50488	[no description available]	medium	7	0	dichlorobenzene; monocarboxylic acid amide; N-alkylpyrrolidine	analgesic; antitussive; calcium channel blocker; diuretic; kappa-opioid receptor agonist
sk&f 82958	[no description available]	medium	8	0	benzazepine
sarcosine	[no description available]	medium	1	0	N-alkylglycine zwitterion; N-alkylglycine; N-methyl-amino acid; N-methylglycines	Escherichia coli metabolite; glycine receptor agonist; glycine transporter 1 inhibitor; human metabolite; mouse metabolite
3-(2-carboxypiperazine-4-yl)-1-propenyl-1-phosphonic acid	[no description available]	medium	3	0
rh 414	[no description available]	medium	4	0
cgp 37849	[no description available]	medium	3	0
spermine	[no description available]	medium	2	0	polyazaalkane; tetramine	antioxidant; fundamental metabolite; immunosuppressive agent
guanidinosuccinic acid	[no description available]	medium	1	0	L-alpha-amino acid anion
bremazocine	[no description available]	medium	2	0
carbocyanines	[no description available]	medium	5	0	cyanine dye; organic iodide salt	fluorochrome
cesium	[no description available]	medium	17	0	alkali metal atom
lithium	[no description available]	medium	10	0	alkali metal atom
flurazepam	[no description available]	medium	33	0	1,4-benzodiazepinone; monofluorobenzenes; organochlorine compound; tertiary amino compound	anticonvulsant; anxiolytic drug; GABAA receptor agonist; sedative
dextroamphetamine	[no description available]	medium	9	0	1-phenylpropan-2-amine	adrenergic agent; adrenergic uptake inhibitor; dopamine uptake inhibitor; dopaminergic agent; neurotoxin; sympathomimetic agent
brevetoxin	[no description available]	medium	1	0
1-oleoyl-2-acetylglycerol	[no description available]	medium	1	0	1,2-diglyceride
fluorides	[no description available]	medium	1	0	halide anion; monoatomic fluorine
carbenoxolone sodium	[no description available]	medium	7	0	triterpenoid
cycloleucine	[no description available]	medium	13	0	non-proteinogenic alpha-amino acid	EC 2.5.1.6 (methionine adenosyltransferase) inhibitor
dcg 04	[no description available]	medium	1	0
inositol 1,4,5-trisphosphate	[no description available]	medium	3	0	myo-inositol trisphosphate	mouse metabolite
dsp 4	[no description available]	medium	3	0
neurokinin a (4-10), beta-ala(8)-	[no description available]	medium	1	0
senktide	[no description available]	medium	2	0
neurokinin a	[no description available]	medium	3	0
sr 140333	[no description available]	medium	5	0
quinuclidines	[no description available]	medium	5	0	quinuclidines; saturated organic heterobicyclic parent
pilocarpic acid	[no description available]	medium	1	0
potassium acetate	[no description available]	medium	4	0	potassium salt	food acidity regulator
calyculin a	[no description available]	medium	1	0
buciclovir	[no description available]	medium	1	0
muscarine	[no description available]	medium	11	0	monosaccharide
ethoxzolamide	[no description available]	medium	2	0	aromatic ether; benzothiazoles; sulfonamide	antiglaucoma drug; diuretic; EC 4.2.1.1 (carbonic anhydrase) inhibitor
fura-2	[no description available]	medium	14	0
butyraldehyde	[no description available]	medium	1	0	butanals	biomarker; Escherichia coli metabolite; mouse metabolite
acetophenone	[no description available]	medium	1	0	acetophenones	animal metabolite; photosensitizing agent; xenobiotic
beta-funaltrexamine	[no description available]	medium	5	0	morphinane alkaloid
endomorphin 2	[no description available]	medium	2	0
a 61603	[no description available]	medium	1	0	tetralins
lucifer yellow	[no description available]	medium	10	0	organic lithium salt	fluorochrome
u 73343	[no description available]	medium	2	0
barium chloride	[no description available]	medium	6	0	barium salt; inorganic chloride	potassium channel blocker
chlorisondamine	[no description available]	medium	4	0	isoindoles
5-aminovaleric acid	[no description available]	medium	15	0	amino acid zwitterion; delta-amino acid; omega-amino fatty acid	human metabolite
bibp 3226	[no description available]	medium	2	0
biie 0246	[no description available]	medium	2	0
loreclezole	[no description available]	medium	7	0
heroin	[no description available]	medium	3	0	morphinane alkaloid	mu-opioid receptor agonist; opioid analgesic; prodrug
cgp 54626	[no description available]	medium	2	0
valerenic acid	[no description available]	medium	1	0	carbobicyclic compound; monocarboxylic acid; sesquiterpenoid	GABA modulator; plant metabolite; sedative; volatile oil component
cyanopindolol	[no description available]	medium	1	0	indoles
piboserod	[no description available]	medium	1	0
cholecystokinin	[no description available]	medium	14	0
diethyl pyrocarbonate	[no description available]	medium	1	0	acyclic carboxylic anhydride
streptomycin	[no description available]	medium	2	0	antibiotic antifungal drug; antibiotic fungicide; streptomycins	antibacterial drug; antifungal agrochemical; antimicrobial agent; antimicrobial drug; bacterial metabolite; protein synthesis inhibitor
s-methylisothiopseudouronium	[no description available]	medium	1	0
isothiuronium	[no description available]	medium	1	0
nadp	[no description available]	medium	2	0
ornithine	[no description available]	medium	3	0	non-proteinogenic L-alpha-amino acid; ornithine	algal metabolite; hepatoprotective agent; mouse metabolite
n(g)-iminoethylornithine	[no description available]	medium	3	0	L-alpha-amino acid
2-naphthol	[no description available]	medium	1	0	naphthol	antinematodal drug; genotoxin; human urinary metabolite; human xenobiotic metabolite; mouse metabolite; radical scavenger
fm1 43	[no description available]	medium	1	0	organic bromide salt; pyridinium salt; quaternary ammonium salt; tertiary amine	fluorochrome
argipressin, deaminopenicillamine(1)-o-methyl-tyr(2)-	[no description available]	medium	1	0
carbon monoxide	[no description available]	medium	3	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
methylazoxymethanol acetate	[no description available]	medium	4	0	azoxy compound
methylazoxymethanol	[no description available]	medium	2	0	azoxy compound
thymol	[no description available]	medium	1	0	monoterpenoid; phenols	volatile oil component
merocyanine dye	[no description available]	medium	1	0
phosphatidylcholines	[no description available]	medium	5	0	1,2-diacyl-sn-glycero-3-phosphocholine
cyanine dye 3	[no description available]	medium	1	0
pergolide	[no description available]	medium	3	0	diamine; methyl sulfide; organic heterotetracyclic compound	antiparkinson drug; dopamine agonist
raclopride	[no description available]	medium	4	0	salicylamides
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
gyki 53655	[no description available]	medium	4	0
pregnenolone sulfate	[no description available]	medium	9	0	steroid sulfate	EC 2.7.1.33 (pantothenate kinase) inhibitor; human metabolite
pregnenolone	[no description available]	medium	11	0	20-oxo steroid; 3beta-hydroxy-Delta(5)-steroid; C21-steroid	human metabolite; mouse metabolite
n,n,n',n'-tetrakis(2-pyridylmethyl)ethylenediamine	[no description available]	medium	1	0	N-substituted diamine; pyridines; tertiary amino compound	apoptosis inducer; chelator; copper chelator
cgp 36742	[no description available]	medium	3	0
glucagon	[no description available]	medium	9	0	peptide hormone
isoleucine	[no description available]	medium	2	0	aspartate family amino acid; isoleucine; L-alpha-amino acid zwitterion; L-alpha-amino acid; proteinogenic amino acid	algal metabolite; Escherichia coli metabolite; human metabolite; mouse metabolite; plant metabolite; Saccharomyces cerevisiae metabolite
pregabalin	[no description available]	medium	1	0	gamma-amino acid	anticonvulsant; calcium channel blocker
dehydrocholic acid	[no description available]	medium	1	0	12-oxo steroid; 3-oxo-5beta-steroid; 7-oxo steroid; oxo-5beta-cholanic acid	gastrointestinal drug
deoxycholic acid	[no description available]	medium	1	0	bile acid; C24-steroid; dihydroxy-5beta-cholanic acid	human blood serum metabolite
kt 5720	[no description available]	medium	1	0	carboxylic ester; gamma-lactam; hemiaminal; indolocarbazole; organic heterooctacyclic compound; semisynthetic derivative; tertiary alcohol	EC 2.7.11.11 (cAMP-dependent protein kinase) inhibitor
bilirubin	[no description available]	medium	2	0	biladienes; dicarboxylic acid	antioxidant; human metabolite; mouse metabolite
8-(dicyclopropylmethyl)-1,3-dipropylxanthine	[no description available]	medium	1	0
fluorescein-5-isothiocyanate	[no description available]	medium	3	0	fluorescein isothiocyanate
nystatin a1	[no description available]	medium	2	0	nystatins
linoleic acid	[no description available]	medium	1	0	octadecadienoic acid; omega-6 fatty acid	algal metabolite; Daphnia galeata metabolite; plant metabolite
fr236924	[no description available]	medium	1	0
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
harmaline	[no description available]	medium	4	0	harmala alkaloid	oneirogen
4,4'-diisothiocyanostilbene-2,2'-disulfonic acid	[no description available]	medium	8	0
azasetron	[no description available]	medium	1	0	benzoxazine
2-methyl-5-ht	[no description available]	medium	3	0	tryptamines	serotonergic agonist
linsidomine	[no description available]	medium	1	0	morpholines
deet	[no description available]	medium	1	0	benzamides; monocarboxylic acid amide	environmental contaminant; insect repellent; xenobiotic
8-bromocyclic gmp	[no description available]	medium	1	0	3',5'-cyclic purine nucleotide; organobromine compound	muscle relaxant; protein kinase G agonist
phosphoserine	[no description available]	medium	2	0	non-proteinogenic alpha-amino acid; O-phosphoamino acid; serine derivative	human metabolite
anthranilic acid	[no description available]	medium	1	0	aminobenzoic acid	human metabolite; mouse metabolite
methylphosphate	[no description available]	medium	1	0	monoalkyl phosphate; one-carbon compound	algal metabolite; epitope; phosphoantigen
n-desmethylclobazam	[no description available]	medium	1	0	benzodiazepine
cesium chloride	[no description available]	medium	7	0	inorganic caesium salt; inorganic chloride	phase-transfer catalyst; vasoconstrictor agent
methohexital	[no description available]	medium	7	0	acetylenic compound; barbiturates	drug allergen; intravenous anaesthetic
trichostatin a	[no description available]	medium	1	0	antibiotic antifungal agent; hydroxamic acid; trichostatin	bacterial metabolite; EC 3.5.1.98 (histone deacetylase) inhibitor; geroprotector
okadaic acid	[no description available]	medium	4	0	ketal
fluo-3	[no description available]	medium	4	0	xanthene dye	fluorochrome
nicotinoyl-gaba	[no description available]	medium	1	0
gramicidin a	[no description available]	medium	12	0
trilostane	[no description available]	medium	2	0	17beta-hydroxy steroid; 3-hydroxy steroid; androstanoid; epoxy steroid; nitrile	abortifacient; antineoplastic agent; EC 1.1.1.210 [3beta(or 20alpha)-hydroxysteroid dehydrogenase] inhibitor
4-phenyl-2-propionamidotetraline	[no description available]	medium	1	0	tetralins
bradykinin	[no description available]	medium	5	0	oligopeptide	human blood serum metabolite; vasodilator agent
meclofenamic acid	[no description available]	medium	2	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
arachidonic acid	[no description available]	medium	5	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
chlormethiazole	[no description available]	medium	7	0	thiazoles
neutral red	[no description available]	medium	1	0	hydrochloride	acid-base indicator; dye; two-colour indicator
adenophostin a	[no description available]	medium	1	0	disaccharide phosphate
3-deoxy-3-fluoroinositol 1,4,5-trisphosphate	[no description available]	medium	1	0
nk 2761	[no description available]	medium	1	0
rhodanine	[no description available]	medium	1	0	thiazolidinone
thiazolidines	[no description available]	medium	2	0	thiazolidine
tetramethylrhodamine	[no description available]	medium	1	0	xanthene dye
quinazolines	[no description available]	medium	2	0	azaarene; mancude organic heterobicyclic parent; ortho-fused heteroarene; quinazolines
2-(2-(5-bromo-1h-indol-3-yl)ethyl)-3-(1-methylethoxyphenyl)-4-(3h)-quinazolinone	[no description available]	medium	1	0	quinazolines
5-bromo-2',3'-dideoxyuridine	[no description available]	medium	1	0
propidium	[no description available]	medium	1	0	phenanthridines; quaternary ammonium ion	fluorochrome; intercalator
vanadates	[no description available]	medium	3	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
ncs 382	[no description available]	medium	4	0
lorazepam	[no description available]	medium	3	0	benzodiazepine
alpha,beta-methyleneadenosine 5'-triphosphate	[no description available]	medium	6	0	nucleoside triphosphate analogue
3-(2,4-dimethoxybenzylidene)anabaseine	[no description available]	medium	1	0	dimethoxybenzene
3-nitrobenzothiazolo(3,2-a)quinolinium	[no description available]	medium	1	0
carbamylhydrazine	[no description available]	medium	4	0	carbohydrazide; monocarboxylic acid amide; one-carbon compound; ureas
egta acetoxymethyl ester	[no description available]	medium	4	0
nisoxetine	[no description available]	medium	1	0	aromatic ether; secondary amino compound	adrenergic uptake inhibitor; antidepressant
fura-2-am	[no description available]	medium	3	0
cyclo(7-aminoheptanoylphenylalanyl-tryptophyl-lysyl-benzylthreonyl)	[no description available]	medium	1	0
tianeptine	[no description available]	medium	1	0	dibenzothiazepine; monocarboxylic acid; organochlorine compound
lorglumide	[no description available]	medium	1	0	benzamides; dicarboxylic acid monoamide; dichlorobenzene; glutamic acid derivative
zinc chloride	[no description available]	medium	2	0	inorganic chloride; zinc molecular entity	astringent; disinfectant; EC 5.3.3.5 (cholestenol Delta-isomerase) inhibitor; Lewis acid
peptide elongation factor 2	[no description available]	medium	1	0
2-chloro-5-hydroxyphenylglycine	[no description available]	medium	2	0
cysteine	[no description available]	medium	2	0	cysteinium	fundamental metabolite
3'-o-(4-benzoyl)benzoyladenosine 5'-triphosphate	[no description available]	medium	1	0	purine ribonucleoside triphosphate
n(6)-methyl-2'-deoxyadenosine	[no description available]	medium	1	0	purine 2'-deoxyribonucleoside
acetic acid	[no description available]	medium	1	0	monocarboxylic acid	antimicrobial food preservative; Daphnia magna metabolite; food acidity regulator; protic solvent
methanesulfonic acid	[no description available]	medium	1	0	alkanesulfonic acid; one-carbon compound	Escherichia coli metabolite
guanethidine	[no description available]	medium	1	0	azocanes; guanidines	adrenergic antagonist; antihypertensive agent; sympatholytic agent
methylene blue	[no description available]	medium	3	0	organic chloride salt	acid-base indicator; antidepressant; antimalarial; antimicrobial agent; antioxidant; cardioprotective agent; EC 1.4.3.4 (monoamine oxidase) inhibitor; EC 3.1.1.8 (cholinesterase) inhibitor; EC 4.6.1.2 (guanylate cyclase) inhibitor; fluorochrome; histological dye; neuroprotective agent; physical tracer
8-bromo cyclic adenosine monophosphate	[no description available]	medium	6	0	3',5'-cyclic purine nucleotide; adenyl ribonucleotide; organobromine compound	antidepressant; protein kinase agonist
edetic acid	[no description available]	medium	1	0	ethylenediamine derivative; polyamino carboxylic acid; tetracarboxylic acid	anticoagulant; antidote; chelator; copper chelator; geroprotector
2-mercaptoacetate	[no description available]	medium	1	0	monocarboxylic acid anion
phenylalanyl-leucyl-phenylalanyl-glutaminyl-prolyl-glutaminyl-arginyl-phenylalaninamide	[no description available]	medium	2	0
latrunculin a	[no description available]	medium	1	0	cyclic hemiketal; macrolide; oxabicycloalkane; thiazolidinone	actin polymerisation inhibitor; metabolite; toxin
thiazoles	[no description available]	medium	5	0	1,3-thiazoles; mancude organic heteromonocyclic parent; monocyclic heteroarene
acetonitrile	[no description available]	medium	1	0	aliphatic nitrile; volatile organic compound	EC 3.5.1.4 (amidase) inhibitor; NMR chemical shift reference compound; polar aprotic solvent
triethylamine	[no description available]	medium	1	0	tertiary amine
methyl tert-butyl ether	[no description available]	medium	1	0	ether	fuel additive; metabolite; non-polar solvent
hydrochloric acid	[no description available]	medium	1	0	chlorine molecular entity; gas molecular entity; hydrogen halide; mononuclear parent hydride	mouse metabolite
n-acetylsphingosine	[no description available]	medium	1	0	N-acylsphingosine
thiocolchicoside	[no description available]	medium	1	0	glycoside
sr 48692	[no description available]	medium	2	0	N-acyl-amino acid
adenosine 5'-o-(3-thiotriphosphate)	[no description available]	medium	1	0	nucleoside triphosphate analogue
uridine triphosphate	[no description available]	medium	1	0	pyrimidine ribonucleoside 5'-triphosphate; uridine 5'-phosphate	Escherichia coli metabolite; mouse metabolite
penicillamine	[no description available]	medium	4	0	non-proteinogenic alpha-amino acid; penicillamine	antirheumatic drug; chelator; copper chelator; drug allergen
s-nitro-n-acetylpenicillamine	[no description available]	medium	3	0
vasotocin	[no description available]	medium	2	0
l 368899	[no description available]	medium	1	0
sr 142948	[no description available]	medium	1	0	N-acyl-amino acid
mitotracker green fm	[no description available]	medium	1	0
isospaglumic acid	[no description available]	medium	1	0	dipeptide	human metabolite
eglumetad	[no description available]	medium	1	0	L-alpha-amino acid
barbituric acid	[no description available]	medium	2	0	barbiturates	allergen; xenobiotic
dimethyl sulfoxide	[no description available]	medium	1	0	sulfoxide; volatile organic compound	alkylating agent; antidote; Escherichia coli metabolite; geroprotector; MRI contrast agent; non-narcotic analgesic; polar aprotic solvent; radical scavenger
am 404	[no description available]	medium	1	0	anilide
arachidonyl-2-chloroethylamide	[no description available]	medium	1	0	fatty amide; organochlorine compound; secondary carboxamide; synthetic cannabinoid	CB1 receptor agonist; CB2 receptor agonist; neuroprotective agent
charybdotoxin	[no description available]	medium	3	0
pentagastrin	[no description available]	medium	1	0	organic molecular entity
tacrine	[no description available]	medium	2	0	acridines; aromatic amine	EC 3.1.1.7 (acetylcholinesterase) inhibitor
17-n,n-diethylcarbamoyl-4-methyl-4-azaandrostane-3-one	[no description available]	medium	1	0
2-amino-5-ureidopentanamide	[no description available]	medium	1	0
iem 1460	[no description available]	medium	1	0
deferoxamine	[no description available]	medium	1	0	acyclic desferrioxamine	bacterial metabolite; ferroptosis inhibitor; iron chelator; siderophore
j 113397	[no description available]	medium	1	0
mk 473	[no description available]	medium	1	0
imidazoleacetic acid	[no description available]	medium	7	0	imidazoles; monocarboxylic acid	metabolite; mouse metabolite
monensin	[no description available]	medium	1	0	cyclic hemiketal; monocarboxylic acid; polyether antibiotic; spiroketal	antifungal agent; coccidiostat; ionophore
4-(n-maleimido)benzyltrimethylammonium	[no description available]	medium	1	0
lacosamide	[no description available]	medium	1	0	N-acyl-amino acid
sinapinic acid	[no description available]	medium	1	0	sinapic acid	MALDI matrix material; plant metabolite
minaxolone	[no description available]	medium	1	0
2-nitrophenyl-egta	[no description available]	medium	1	0
2-aminoadipic acid	[no description available]	medium	4	0	amino dicarboxylic acid; dicarboxylic fatty acid; non-proteinogenic alpha-amino acid	Caenorhabditis elegans metabolite; mammalian metabolite
sr 48968	[no description available]	medium	2	0
sr140333b	[no description available]	medium	1	0
zopiclone	[no description available]	medium	3	0	monochloropyridine; pyrrolopyrazine	central nervous system depressant; sedative
indiplon	[no description available]	medium	1	0	pyrimidines
tetrahydrocannabivarin 9	[no description available]	medium	1	0
snx 482	[no description available]	medium	1	0
oxcarbazepine	[no description available]	medium	1	0	cyclic ketone; dibenzoazepine	anticonvulsant; drug allergen
brimonidine tartrate	[no description available]	medium	3	0
thiocyanate	[no description available]	medium	2	0	pseudohalide anion; sulfur molecular entity	human metabolite
avermectin	[no description available]	medium	4	0
beta-carboline-3-carboxylic acid ethyl ester	[no description available]	medium	7	0	beta-carbolines
alphaxalone	[no description available]	medium	11	0	11-oxo steroid
elymoclavine	[no description available]	medium	1	0	alkaloid
ergoline	[no description available]	medium	5	0	diamine; ergoline alkaloid; indole alkaloid fundamental parent; indole alkaloid; organic heterotetracyclic compound
n(6)-cyclohexyladenosine	[no description available]	medium	6	0
salutaridine	[no description available]	medium	1	0	morphinane alkaloid	anti-HBV agent; metabolite
octopamine	[no description available]	medium	1	0	phenylethanolamines; tyramines	neurotransmitter
etorphine	[no description available]	medium	1	0
4-isopropylbicyclophosphate	[no description available]	medium	3	0
cartazolate	[no description available]	medium	1	0
amobarbital	[no description available]	medium	3	0	barbiturates
avermectin b(1)a	[no description available]	medium	8	0	avermectin
tegafur	[no description available]	medium	1	0	organohalogen compound; pyrimidines
phenazepam	[no description available]	medium	8	0
nitrazepam	[no description available]	medium	7	0	1,4-benzodiazepinone; C-nitro compound	anticonvulsant; antispasmodic drug; drug metabolite; GABA modulator; sedative
gastrins	[no description available]	medium	4	0
4-amino-3-phenylbutyric acid	[no description available]	medium	8	0	organonitrogen compound; organooxygen compound
n-methylcytisine	[no description available]	medium	1	0
pyrantel	[no description available]	medium	2	0	1,4,5,6-tetrahydropyrimidines; carboxamidine; thiophenes	antinematodal drug
pentazocine	[no description available]	medium	2	0	benzazocine
adinazolam	[no description available]	medium	1	0	triazolobenzodiazepine	anticonvulsant; antidepressant; anxiolytic drug; sedative
imidazole	[no description available]	medium	1	0	imidazole
rp 31264	[no description available]	medium	2	0
sulfur	[no description available]	medium	2	0	chalcogen; nonmetal atom	macronutrient
substance p, prolyl(2)-tryptophan(7,9)-	[no description available]	medium	2	0
progabide	[no description available]	medium	15	0	diarylmethane
pipecolic acid	[no description available]	medium	27	0	piperidinemonocarboxylic acid
proline	[no description available]	medium	28	0	amino acid zwitterion; glutamine family amino acid; L-alpha-amino acid; proline; proteinogenic amino acid	algal metabolite; compatible osmolytes; Escherichia coli metabolite; micronutrient; mouse metabolite; nutraceutical; Saccharomyces cerevisiae metabolite
chloralose	[no description available]	medium	5	0
ceruletide	[no description available]	medium	1	0	oligopeptide	diagnostic agent; gastrointestinal drug
dibutyryl cyclic gmp	[no description available]	medium	1	0
inosine	[no description available]	medium	7	0	inosines; purines D-ribonucleoside	Escherichia coli metabolite; human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite
4-acetamido-4'-isothiocyanatostilbene-2,2'-disulfonic acid	[no description available]	medium	4	0	stilbenoid
stilbenes	[no description available]	medium	2	0	stilbene
alpha-aminopyridine	[no description available]	medium	10	0
guvacine	[no description available]	medium	6	0	alpha,beta-unsaturated monocarboxylic acid; beta-amino acid; pyridine alkaloid; secondary amino compound; tetrahydropyridine	GABA reuptake inhibitor; plant metabolite
4-amino-3-hydroxybutyric acid	[no description available]	medium	3	0	3-hydroxy monocarboxylic acid; amino acid zwitterion; gamma-amino acid
pantothenic acid	[no description available]	medium	5	0	pantothenic acid; vitamin B5	antidote to curare poisoning; geroprotector; human blood serum metabolite
pantogab	[no description available]	medium	4	0
dihydropicrotoxinin	[no description available]	medium	1	0
1-methyl-beta-carboline-3-carboxylic acid	[no description available]	medium	3	0
piretanide	[no description available]	medium	1	0	aromatic ether
4,5,6,7-tetrahydroisoxazolo(4,5-c)pyridin-3-ol	[no description available]	medium	2	0
galactosamine	[no description available]	medium	1	0	D-galactosamine; primary amino compound	toxin
enkephalin, leucine-2-alanine	[no description available]	medium	4	0
2,4-diaminobutyric acid	[no description available]	medium	8	0	diamino acid; gamma-amino acid; non-proteinogenic alpha-amino acid
ro 5-3663	[no description available]	medium	6	0
tramiprosate	[no description available]	medium	27	0	amino sulfonic acid; zwitterion	algal metabolite; anti-inflammatory agent; anticonvulsant; GABA agonist; nootropic agent
pk 9084	[no description available]	medium	2	0
pipequaline	[no description available]	medium	2	0
3-aminocyclohexanecarboxylic acid	[no description available]	medium	2	0
methionine sulfoximine	[no description available]	medium	4	0	methionine derivative; non-proteinogenic alpha-amino acid; sulfoximide
diazobenzenesulfonic acid	[no description available]	medium	1	0
kojic amine	[no description available]	medium	3	0
barium	[no description available]	medium	14	0	alkaline earth metal atom; elemental barium
ro 5-4864	[no description available]	medium	8	0
dihydroxyphenylalanine	[no description available]	medium	4	0	hydroxyphenylalanine; non-proteinogenic alpha-amino acid; tyrosine derivative	human metabolite
15-hydroperoxy-5,8,11,13-eicosatetraenoic acid	[no description available]	medium	1	0	HPETE	human xenobiotic metabolite
ethanolamine o-sulfate	[no description available]	medium	3	0
phosphocreatine	[no description available]	medium	8	0	phosphagen; phosphoamino acid	human metabolite; mouse metabolite
phosphorus	[no description available]	medium	4	0	monoatomic phosphorus; nonmetal atom; pnictogen	macronutrient
dopamine 4-o-sulfate	[no description available]	medium	1	0	aryl sulfate; phenols; primary amino compound; zwitterion	human blood serum metabolite; human urinary metabolite
dopamine 3-o-sulfate	[no description available]	medium	1	0	aryl sulfate; phenols; primary amino compound; zwitterion	human blood serum metabolite; human urinary metabolite
lormetazepam	[no description available]	medium	1	0	1,4-benzodiazepinone; organochlorine compound	sedative
phenylbenzoquinone	[no description available]	medium	1	0
milacemide	[no description available]	medium	3	0
phenylethylmalonamide	[no description available]	medium	1	0	amine
4-butyrolactone	[no description available]	medium	2	0	butan-4-olide	metabolite; neurotoxin
methylphenidate	[no description available]	medium	1	0	beta-amino acid ester; methyl ester; piperidines
enkephalin-met, ala(2)-	[no description available]	medium	3	0
hydrogen	[no description available]	medium	4	0	elemental hydrogen; elemental molecule; gas molecular entity	antioxidant; electron donor; food packaging gas; fuel; human metabolite
met-enkephalinamide	[no description available]	medium	1	0
lysergic acid diethylamide	[no description available]	medium	4	0	ergoline alkaloid; monocarboxylic acid amide; organic heterotetracyclic compound	dopamine agonist; hallucinogen; serotonergic agonist
quipazine	[no description available]	medium	2	0	piperazines; pyridines
brotizolam	[no description available]	medium	1	0	organic molecular entity
d-alpha tocopherol	[no description available]	medium	2	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
gabaculine	[no description available]	medium	5	0	5-aminocyclohexa-1,3-diene-1-carboxylic acid	bacterial metabolite; EC 2.6.1.19 (4-aminobutyrate--2-oxoglutarate transaminase) inhibitor
bromosuccinimide	[no description available]	medium	1	0	dicarboximide; organobromine compound; pyrrolidinone	reagent
3-bromophenylsuccinimide	[no description available]	medium	1	0
megestrol acetate	[no description available]	medium	1	0	bridged compound; organic heterotetracyclic compound; secondary alcohol; sesquiterpene lactone; spiro compound; tertiary alcohol; tetrol	GABA antagonist; neurotoxin; phytogenic insecticide; plant metabolite
mebikar	[no description available]	medium	1	0	imidazolidinone
gamma-aminobutyric acid cetyl ester	[no description available]	medium	1	0
homocarnosine	[no description available]	medium	1	0	dipeptide zwitterion; dipeptide; homocarnosine; L-histidine derivative; N-acyl-L-alpha-amino acid anion; N-acyl-L-alpha-amino acid	human metabolite
carnosine	[no description available]	medium	2	0	amino acid zwitterion; dipeptide	anticonvulsant; antineoplastic agent; antioxidant; Daphnia magna metabolite; geroprotector; human metabolite; mouse metabolite; neuroprotective agent
1-methyl-5-phenyl-5-propylbarbituric acid	[no description available]	medium	1	0
progabide acid	[no description available]	medium	4	0
d-ala(2),mephe(4),met(0)-ol-enkephalin	[no description available]	medium	1	0
thiocyanic acid	[no description available]	medium	1	0	hydracid; one-carbon compound; organosulfur compound	Escherichia coli metabolite
isethionic acid	[no description available]	medium	3	0	alkanesulfonic acid	human metabolite
cismethrin	[no description available]	medium	1	0
pyrethrins	[no description available]	medium	2	0
tranylcypromine	[no description available]	medium	1	0	2-phenylcyclopropan-1-amine
angiotensinogen	[no description available]	medium	1	0
guanidine	[no description available]	medium	1	0	carboxamidine; guanidines; one-carbon compound
hemicholinium 3	[no description available]	medium	5	0
barbital	[no description available]	medium	7	0	barbiturates	drug allergen
phosphotyrosine	[no description available]	medium	2	0	L-tyrosine derivative; non-proteinogenic L-alpha-amino acid; O(4)-phosphotyrosine	Escherichia coli metabolite; immunogen
isradipine	[no description available]	medium	4	0	benzoxadiazole; dihydropyridine; isopropyl ester; methyl ester
quisqualamine	[no description available]	medium	1	0
4-amino-n-(2,6-dimethylphenyl)phthalimide	[no description available]	medium	1	0
rh 795	[no description available]	medium	2	0
tert-butylbicyclo-2-benzoate	[no description available]	medium	5	0
dihydro-dids	[no description available]	medium	1	0
phorbol-12,13-diacetate	[no description available]	medium	1	0
piribedil	[no description available]	medium	2	0	N-arylpiperazine
cefazolin	[no description available]	medium	1	0	beta-lactam antibiotic allergen; cephalosporin; tetrazoles; thiadiazoles	antibacterial drug
cgp 39653	[no description available]	medium	1	0
terbium	[no description available]	medium	1	0	f-block element atom; lanthanoid atom
binospirone mesylate	[no description available]	medium	1	0
dolasetron	[no description available]	medium	1	0	indolyl carboxylic acid
meperidine	[no description available]	medium	1	0	ethyl ester; piperidinecarboxylate ester; tertiary amino compound	antispasmodic drug; kappa-opioid receptor agonist; mu-opioid receptor agonist; opioid analgesic
triazolam	[no description available]	medium	3	0	triazolobenzodiazepine	sedative
decamethonium	[no description available]	medium	2	0	quaternary ammonium ion	muscle relaxant; nicotinic acetylcholine receptor agonist
4-diphenylacetoxy-1,1-dimethylpiperidinium	[no description available]	medium	1	0	quaternary ammonium ion	cholinergic antagonist; muscarinic antagonist
3-aminopropylphosphinic acid	[no description available]	medium	5	0
1-(4-ethynylphenyl)-4-propyl-2,6,7-trioxabicyclo(2.2.2)octane	[no description available]	medium	1	0
pyrimethamine	[no description available]	medium	1	0	aminopyrimidine; monochlorobenzenes	antimalarial; antiprotozoal drug; EC 1.5.1.3 (dihydrofolate reductase) inhibitor
alpidem	[no description available]	medium	2	0	imidazoles
ly 53857	[no description available]	medium	1	0
neosurugatoxin	[no description available]	medium	1	0	organonitrogen compound; organooxygen compound
cgp 39551	[no description available]	medium	1	0
prostaglandin d2	[no description available]	medium	2	0	prostaglandins D	human metabolite; mouse metabolite
cromakalim	[no description available]	medium	2	0
acetylcarnitine	[no description available]	medium	1	0	O-acylcarnitine	human metabolite
cp094	[no description available]	medium	1	0
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
ether	[no description available]	medium	2	0	ether; volatile organic compound	inhalation anaesthetic; non-polar solvent; refrigerant
phosphatidylinositol 4-phosphate	[no description available]	medium	1	0
glycerophosphoinositol 4,5-bisphosphate	[no description available]	medium	2	0
benzobarbital	[no description available]	medium	1	0
3-aminocyclopentane-1-carboxylic acid	[no description available]	medium	2	0
kaolinite	[no description available]	medium	2	0	aluminosilicate mineral; mixture	antidiarrhoeal drug; excipient
glutapyrone	[no description available]	medium	1	0
tri-o-cresyl phosphate	[no description available]	medium	1	0
creatine	[no description available]	medium	2	0	glycine derivative; guanidines; zwitterion	geroprotector; human metabolite; mouse metabolite; neuroprotective agent; nutraceutical
glycogen	[no description available]	medium	2	0
2'-hydroxy-5,9-dimethyl-2-allyl-6,7-benzomorphan	[no description available]	medium	1	0
phenazocine	[no description available]	medium	1	0
quadazocine	[no description available]	medium	2	0
u 54494a	[no description available]	medium	1	0
tyrosyl-seryl(o-tert-butyl)-glycyl-phenylalanyl-leucyl-threonine	[no description available]	medium	1	0
vanoxerine	[no description available]	medium	2	0	ether; N-alkylpiperazine; organofluorine compound; tertiary amino compound	dopamine uptake inhibitor
framycetin	[no description available]	medium	2	0	aminoglycoside	allergen; antibacterial drug; Escherichia coli metabolite
tungsten	[no description available]	medium	1	0	chromium group element atom	micronutrient
atipamezole	[no description available]	medium	3	0
camphor, (+-)-isomer	[no description available]	medium	1	0	bornane monoterpenoid; cyclic monoterpene ketone	plant metabolite
limonene	[no description available]	medium	1	0	cycloalkene; p-menthadiene	human metabolite
isoamyl acetate	[no description available]	medium	1	0	acetate ester	metabolite; Saccharomyces cerevisiae metabolite
anisole	[no description available]	medium	1	0	monomethoxybenzene	plant metabolite
n-pentanol	[no description available]	medium	4	0	pentanol; short-chain primary fatty alcohol	human metabolite; plant metabolite
metoclopramide	[no description available]	medium	1	0	benzamides; monochlorobenzenes; substituted aniline; tertiary amino compound	antiemetic; dopaminergic antagonist; environmental contaminant; gastrointestinal drug; xenobiotic
arecaidine	[no description available]	medium	2	0	citraconoyl group
arecoline	[no description available]	medium	5	0	enoate ester; methyl ester; pyridine alkaloid; tetrahydropyridine	metabolite; muscarinic agonist
n-(ethoxycarbonylmethyl)-6-methoxyquinolinium	[no description available]	medium	1	0
1,3-ditolylguanidine	[no description available]	medium	1	0	toluenes
perfluorotributylamine	[no description available]	medium	2	0	organofluorine compound	blood substitute; greenhouse gas; solvent
heme	[no description available]	medium	3	0
bmy 40062	[no description available]	medium	1	0
fenbufen	[no description available]	medium	2	0	4-oxo monocarboxylic acid; biphenyls	non-steroidal anti-inflammatory drug
thioinosine	[no description available]	medium	1	0
adenosine 5'-methylenediphosphate	[no description available]	medium	1	0	nucleoside diphosphate analogue
adenosine diphosphate	[no description available]	medium	3	0	adenosine 5'-phosphate; purine ribonucleoside 5'-diphosphate	fundamental metabolite; human metabolite
pentostatin	[no description available]	medium	1	0	coformycins	antimetabolite; antineoplastic agent; Aspergillus metabolite; bacterial metabolite; EC 3.5.4.4 (adenosine deaminase) inhibitor
adenosine kinase	[no description available]	medium	1	0
n-aminodiphenylhydantoin	[no description available]	medium	1	0
phosphoramidon	[no description available]	medium	1	0	deoxyaldohexose phosphate; dipeptide	bacterial metabolite; EC 3.4.24.11 (neprilysin) inhibitor; EC 3.4.24.71 (endothelin-converting enzyme 1) inhibitor
bq 123	[no description available]	medium	1	0	cyclic peptide
mannitol	[no description available]	medium	1	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
salicylic acid	[no description available]	medium	1	0	monohydroxybenzoic acid	algal metabolite; antifungal agent; antiinfective agent; EC 1.11.1.11 (L-ascorbate peroxidase) inhibitor; keratolytic drug; plant hormone; plant metabolite
web 2086	[no description available]	medium	1	0	organonitrogen heterocyclic compound; organosulfur heterocyclic compound
bn 50739	[no description available]	medium	1	0
xylazine	[no description available]	medium	1	0	1,3-thiazine; methylbenzene; secondary amino compound	alpha-adrenergic agonist; analgesic; emetic; muscle relaxant; sedative
trimeperidine	[no description available]	medium	1	0
enkephalin, ser(2), leu(5), thr(6)-	[no description available]	medium	1	0	oligopeptide
tetrahydrocorticosterone	[no description available]	medium	2	0	21-hydroxy steroid
ezogabine	[no description available]	medium	3	0	carbamate ester; organofluorine compound; secondary amino compound; substituted aniline	anticonvulsant; potassium channel modulator
peptide phi	[no description available]	medium	1	0
threonine	[no description available]	medium	3	0	amino acid zwitterion; aspartate family amino acid; L-alpha-amino acid; proteinogenic amino acid; threonine	algal metabolite; Escherichia coli metabolite; human metabolite; micronutrient; mouse metabolite; nutraceutical; plant metabolite; Saccharomyces cerevisiae metabolite
ciprofloxacin	[no description available]	medium	3	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
biphenylylacetic acid	[no description available]	medium	4	0
1-(3-trifluoromethylphenyl)piperazine	[no description available]	medium	3	0	(trifluoromethyl)benzenes; N-arylpiperazine	environmental contaminant; psychotropic drug; serotonergic agonist; xenobiotic
gepirone	[no description available]	medium	1	0	N-arylpiperazine
abecarnil	[no description available]	medium	4	0
bucladesine	[no description available]	medium	1	0	3',5'-cyclic purine nucleotide
n-(2-(methylamino)ethyl)-5-isoquinolinesulfonamide	[no description available]	medium	2	0	isoquinolines; sulfonamide
iobenguane (131i)	[no description available]	medium	6	0
selfotel	[no description available]	medium	3	0	non-proteinogenic alpha-amino acid
3-(2-hydroxy-4-(1,1-dimethylheptyl)phenyl)-4-(3-hydroxypropyl)cyclohexanol	[no description available]	medium	2	0	alkylbenzene; ring assembly
cyclohexanol	[no description available]	medium	2	0	cyclohexanols; secondary alcohol	solvent
rilmenidine	[no description available]	medium	2	0	isourea
alfentanil	[no description available]	medium	2	0	monocarboxylic acid amide; piperidines	central nervous system depressant; intravenous anaesthetic; mu-opioid receptor agonist; opioid analgesic; peripheral nervous system drug
11-ketoprogesterone	[no description available]	medium	1	0	corticosteroid hormone
dieldrin	[no description available]	medium	3	0	epoxide; organochlorine compound; organochlorine insecticide	carcinogenic agent; xenobiotic
(tetrazol-5-yl)glycine	[no description available]	medium	1	0	non-proteinogenic alpha-amino acid
indole-2-carboxylic acid	[no description available]	medium	1	0	indolyl carboxylic acid
picolinic acid	[no description available]	medium	1	0	pyridinemonocarboxylic acid	human metabolite; MALDI matrix material
perftoran	[no description available]	medium	1	0
4-trans-2-carboxy-5,7-dichloro-4-phenylaminocarbonylamino-1,2,3,4-tetrahydroquinoline	[no description available]	medium	1	0
endothelin-1	[no description available]	medium	1	0
6-benzoylheteratisine	[no description available]	medium	2	0
ifosfamide	[no description available]	medium	1	0
sk&f 81297	[no description available]	medium	1	0	benzazepine
norfloxacin	[no description available]	medium	1	0	fluoroquinolone antibiotic; N-arylpiperazine; quinolinemonocarboxylic acid; quinolone antibiotic; quinolone	antibacterial drug; DNA synthesis inhibitor; environmental contaminant; xenobiotic
enoxacin	[no description available]	medium	2	0	1,8-naphthyridine derivative; amino acid; fluoroquinolone antibiotic; monocarboxylic acid; N-arylpiperazine; quinolone antibiotic	antibacterial drug; DNA synthesis inhibitor
corymine	[no description available]	medium	1	0
3,3'-dioctadecylindocarbocyanine	[no description available]	medium	1	0	Cy5 dye; indolium ion	fluorochrome
butyric acid	[no description available]	medium	1	0	fatty acid 4:0; straight-chain saturated fatty acid	human urinary metabolite; Mycoplasma genitalium metabolite
npc 12626	[no description available]	medium	1	0
pyrrolidine-2,4-dicarboxylic acid	[no description available]	medium	2	0
duloxetine hydrochloride	[no description available]	medium	1	0	duloxetine hydrochloride	antidepressant
dau 6285	[no description available]	medium	1	0
safinamide	[no description available]	medium	1	0	amino acid amide
guanosine triphosphate	[no description available]	medium	2	0	guanosine 5'-phosphate; purine ribonucleoside 5'-triphosphate	Escherichia coli metabolite; mouse metabolite; uncoupling protein inhibitor
5-hydroxytryptophan	[no description available]	medium	6	0	hydroxytryptophan	human metabolite; neurotransmitter
gr 73632	[no description available]	medium	1	0
septide	[no description available]	medium	1	0
neurokinin b	[no description available]	medium	1	0	polypeptide
amiloride	[no description available]	medium	1	0	aromatic amine; guanidines; organochlorine compound; pyrazines	diuretic; sodium channel blocker
neuropeptide y, leu(31)-pro(34)-	[no description available]	medium	2	0
neuropeptide y (13-36)	[no description available]	medium	2	0
tridihexethyl	[no description available]	medium	1	0
ipsapirone	[no description available]	medium	1	0	N-arylpiperazine
indorenate	[no description available]	medium	1	0
5-methoxytryptamine	[no description available]	medium	2	0	aromatic ether; primary amino compound; tryptamines	5-hydroxytryptamine 2A receptor agonist; 5-hydroxytryptamine 2B receptor agonist; 5-hydroxytryptamine 2C receptor agonist; antioxidant; cardioprotective agent; human metabolite; mouse metabolite; neuroprotective agent; radiation protective agent; serotonergic agonist
enflurane	[no description available]	medium	5	0	ether; organochlorine compound; organofluorine compound	anaesthetic
angiotensin ii (3-7)	[no description available]	medium	1	0
ovalbumin	[no description available]	medium	1	0
tetragastrin	[no description available]	medium	1	0	peptidyl amide; tetrapeptide	anxiogenic; human metabolite
lignans	[no description available]	medium	3	0
hydroxylamine	[no description available]	medium	1	0	hydroxylamines	algal metabolite; bacterial xenobiotic metabolite; EC 1.1.3.13 (alcohol oxidase) inhibitor; EC 4.2.1.22 (cystathionine beta-synthase) inhibitor; EC 4.3.1.10 (serine-sulfate ammonia-lyase) inhibitor; nitric oxide donor; nucleophilic reagent
calmidazolium	[no description available]	medium	1	0	imidazolium ion	apoptosis inducer; calmodulin antagonist
potassium thiocyanate	[no description available]	medium	1	0	potassium salt
3-(2-carboxypiperazine-4-yl)propyl-1-phosphate	[no description available]	medium	1	0
kavain	[no description available]	medium	1	0	2-pyranones; aromatic ether
substance p, methyl ester-	[no description available]	medium	2	0
vasoactive intestinal peptide (10-28)	[no description available]	medium	1	0
methoxamine	[no description available]	medium	2	0	amphetamines	alpha-adrenergic agonist; antihypotensive agent
(3,4-dihydroxyphenylamino)-2-imidazoline	[no description available]	medium	1	0
ethylcholine aziridinium	[no description available]	medium	3	0
bw 245c	[no description available]	medium	1	0	imidazolidine-2,4-dione; monocarboxylic acid; secondary alcohol
indo-1 pentaacetoxymethyl ester	[no description available]	medium	1	0
9-(2-hydroxy-3-nonyl)adenine	[no description available]	medium	2	0
phosphorus radioisotopes	[no description available]	medium	3	0
hexobarbital	[no description available]	medium	2	0	barbiturates
8-((4-chlorophenyl)thio)cyclic-3',5'-amp	[no description available]	medium	1	0	3',5'-cyclic purine nucleotide; adenyl ribonucleotide; aryl sulfide; organochlorine compound	protein kinase agonist
dextromethorphan	[no description available]	medium	2	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
nefiracetam	[no description available]	medium	3	0	organonitrogen compound; organooxygen compound
iodine	[no description available]	medium	3	0	halide anion; monoatomic iodine	human metabolite
lissamine rhodamine b	[no description available]	medium	1	0
pargyline	[no description available]	medium	1	0	aromatic amine
cgs 12066b	[no description available]	medium	2	0	maleate salt	prodrug; serotonergic agonist
guanylyl imidodiphosphate	[no description available]	medium	2	0	nucleoside triphosphate analogue
thiazolyl blue	[no description available]	medium	1	0	organic bromide salt	colorimetric reagent; dye
sodium lactate	[no description available]	medium	1	0	lactate salt; organic sodium salt	food acidity regulator; food preservative
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
butaprost	[no description available]	medium	1	0
ranitidine	[no description available]	medium	2	0	C-nitro compound; furans; organic sulfide; tertiary amino compound	anti-ulcer drug; drug allergen; environmental contaminant; H2-receptor antagonist; xenobiotic
dimaprit	[no description available]	medium	1	0	imidothiocarbamic ester
impromidine	[no description available]	medium	1	0
alpha-fluoromethylhistidine	[no description available]	medium	1	0
thioperamide	[no description available]	medium	1	0	primary aliphatic amine
cp 154526	[no description available]	medium	1	0
ly 303070	[no description available]	medium	1	0
ucn 1028 c	[no description available]	medium	2	0
2-chloro-n(6)cyclopentyladenosine	[no description available]	medium	2	0
dithionitrobenzoic acid	[no description available]	medium	1	0	nitrobenzoic acid; organic disulfide	indicator
tris(2-carboxyethyl)phosphine	[no description available]	medium	1	0	phosphine derivative; tricarboxylic acid	reducing agent
pqq cofactor	[no description available]	medium	1	0	orthoquinones; pyrroloquinoline cofactor; tricarboxylic acid	anti-inflammatory agent; antioxidant; cofactor; water-soluble vitamin (role)
carbostyril	[no description available]	medium	1	0	monohydroxyquinoline; quinolone	bacterial xenobiotic metabolite
citric acid, anhydrous	[no description available]	medium	1	0	tricarboxylic acid	antimicrobial agent; chelator; food acidity regulator; fundamental metabolite
dihydrorhodamine 123	[no description available]	medium	1	0
copper sulfate	[no description available]	medium	1	0	metal sulfate	emetic; fertilizer; sensitiser
tan 67	[no description available]	medium	1	0
1-methyl-4-phenylpyridinium	[no description available]	medium	1	0	pyridinium ion	apoptosis inducer; herbicide; human xenobiotic metabolite; neurotoxin
guanidinoethane sulfonate	[no description available]	medium	2	0	guanidines; organosulfonic acid; zwitterion
allylamine	[no description available]	medium	1	0	alkylamine
eosine yellowish-(ys)	[no description available]	medium	1	0	organic sodium salt; organobromine compound	fluorochrome; histological dye
n-(1-methyl-2-phenylethyl)adenosine	[no description available]	medium	2	0
clobenpropit	[no description available]	medium	1	0	imidazoles; imidothiocarbamic ester; organochlorine compound	H3-receptor antagonist; H4-receptor agonist
hydrazine	[no description available]	medium	4	0	azane; hydrazines	EC 4.3.1.10 (serine-sulfate ammonia-lyase) inhibitor
sq 29548	[no description available]	medium	1	0
guanosine	[no description available]	medium	1	0	guanosines; purines D-ribonucleoside	fundamental metabolite
xanthine	[no description available]	medium	1	0	xanthine	Saccharomyces cerevisiae metabolite
fenfluramine	[no description available]	medium	2	0	(trifluoromethyl)benzenes; secondary amino compound	appetite depressant; serotonergic agonist; serotonin uptake inhibitor
tandospirone	[no description available]	medium	1	0	bridged compound; dicarboximide; N-alkylpiperazine; N-arylpiperazine; pyrimidines	antidepressant; anxiolytic drug
oxytocin, tri-gly-	[no description available]	medium	1	0
alphadolone	[no description available]	medium	1	0
oxymetazoline	[no description available]	medium	1	0	carboxamidine; imidazolines; phenols	alpha-adrenergic agonist; nasal decongestant; sympathomimetic agent; vasoconstrictor agent
6-nitroquipazine	[no description available]	medium	1	0	nitro compound; quinolines
amyl acetate	[no description available]	medium	2	0	acetate ester	metabolite
chloramphenicol	[no description available]	medium	1	0	C-nitro compound; carboxamide; diol; organochlorine compound	antibacterial drug; antimicrobial agent; Escherichia coli metabolite; geroprotector; Mycoplasma genitalium metabolite; protein synthesis inhibitor
eticlopride	[no description available]	medium	1	0	salicylamides
2-methylthio-atp	[no description available]	medium	1	0
ci 988	[no description available]	medium	2	0
devazepide	[no description available]	medium	2	0	1,4-benzodiazepinone; indolecarboxamide	antineoplastic agent; apoptosis inducer; cholecystokinin antagonist; gastrointestinal drug
meglumine	[no description available]	medium	2	0	hexosamine; secondary amino compound
p-chloroamphetamine	[no description available]	medium	1	0
schizandrin	[no description available]	medium	1	0
am-356	[no description available]	medium	1	0	fatty amide
huperzine a	[no description available]	medium	1	0	quinolone
6-fluoronorepinephrine	[no description available]	medium	1	0	catechols
1-octanol	[no description available]	medium	1	0	octanol; primary alcohol	antifungal agent; bacterial metabolite; fuel additive; kairomone; plant metabolite
gamma2-msh	[no description available]	medium	1	0
3,3'-diaminobenzidine	[no description available]	medium	1	0	biphenyls; substituted aniline	histological dye
sonepiprazole	[no description available]	medium	1	0
n-(2-cyclohexyloxy-4-nitrophenyl)methanesulfonamide	[no description available]	medium	1	0	aromatic ether; C-nitro compound; sulfonamide	antineoplastic agent; cyclooxygenase 2 inhibitor
rhod-2	[no description available]	medium	1	0
5-(4-piperidyl)isoxazol-3-ol	[no description available]	medium	2	0	piperidines
fk 409	[no description available]	medium	1	0
2-phenyl-4,4,5,5-tetramethylimidazoline-1-oxyl-3-oxide	[no description available]	medium	1	0
flesinoxan	[no description available]	medium	1	0
cirazoline	[no description available]	medium	1	0	aromatic ether
brl 44408	[no description available]	medium	1	0
deamino arginine vasopressin	[no description available]	medium	2	0	heterodetic cyclic peptide	diagnostic agent; renal agent; vasopressin receptor agonist
phloroglucinol	[no description available]	medium	1	0	benzenetriol; phenolic donor	algal metabolite
oxytocin, thr(4)-gly(7)-	[no description available]	medium	1	0
vasopressin, 1-(1-mercaptocyclohexaneacetic acid)-2-(o- methyl-l-tyrosine)-8-l-arginine-	[no description available]	medium	1	0
4-ethyl-1-phospha-2,6,7 trioxabicyclo(2.2.2)octane-1-oxide	[no description available]	medium	2	0
2,5-dimethylpyrazine	[no description available]	medium	1	0	pyrazines
nocistatin	[no description available]	medium	1	0
anatoxin a	[no description available]	medium	1	0	tropane alkaloid
2',3'-o-(2,4,6-trinitrophenyl)adenosine 5'-triphosphate	[no description available]	medium	1	0	C-nitro compound; spiroketal	antagonist
aldrin	[no description available]	medium	1	0
gvs 111	[no description available]	medium	1	0
2,2,3,3-tetramethylcyclopropane carboxamide	[no description available]	medium	1	0
cinanserin	[no description available]	medium	1	0	aryl sulfide; cinnamamides; secondary carboxamide; tertiary amino compound	anticoronaviral agent; antiviral agent; EC 3.4.22.69 (SARS coronavirus main proteinase) inhibitor
pteridines	[no description available]	medium	1	0	azaarene; mancude organic heterobicyclic parent; ortho-fused heteroarene; pteridines
ammonium hydroxide	[no description available]	medium	1	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
glutamic acid diethyl ester	[no description available]	medium	1	0
harmine	[no description available]	medium	4	0	harmala alkaloid	anti-HIV agent; EC 1.4.3.4 (monoamine oxidase) inhibitor; metabolite
valerates	[no description available]	medium	4	0	short-chain fatty acid anion; straight-chain saturated fatty acid anion	plant metabolite
mescaline	[no description available]	medium	1	0	methoxybenzenes; phenethylamine alkaloid; primary amino compound	hallucinogen
benactyzine	[no description available]	medium	2	0	diarylmethane
tyramine	[no description available]	medium	1	0	monoamine molecular messenger; primary amino compound; tyramines	EC 3.1.1.8 (cholinesterase) inhibitor; Escherichia coli metabolite; human metabolite; mouse metabolite; neurotransmitter
aminolevulinic acid	[no description available]	medium	3	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
trichloroethylene	[no description available]	medium	1	0	chloroethenes	inhalation anaesthetic; mouse metabolite
1-propanol	[no description available]	medium	2	0	propan-1-ols; short-chain primary fatty alcohol	metabolite; protic solvent
1,1,1-trichloroethane	[no description available]	medium	1	0	chloroethanes	polar solvent
phenelzine	[no description available]	medium	1	0	primary amine
pyridoxine	[no description available]	medium	4	0	hydroxymethylpyridine; methylpyridines; monohydroxypyridine; vitamin B6	cofactor; Escherichia coli metabolite; human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite
gamma-hydroxy-gamma-ethyl-gamma-phenylbutyramide	[no description available]	medium	1	0
guanidinopropionic acid	[no description available]	medium	2	0	guanidines; zwitterion	hypoglycemic agent
glycocyamine	[no description available]	medium	1	0	guanidinoacetic acids; zwitterion	bacterial metabolite; human metabolite; mouse metabolite; nutraceutical; rat metabolite
magnesium sulfate	[no description available]	medium	1	0	magnesium salt; metal sulfate; organic magnesium salt	anaesthetic; analgesic; anti-arrhythmia drug; anticonvulsant; calcium channel blocker; cardiovascular drug; fertilizer; tocolytic agent
trimethadione	[no description available]	medium	2	0	oxazolidinone	anticonvulsant; geroprotector
asparagine	[no description available]	medium	1	0	amino acid zwitterion; asparagine; aspartate family amino acid; L-alpha-amino acid; proteinogenic amino acid	Escherichia coli metabolite; human metabolite; micronutrient; mouse metabolite; nutraceutical; plant metabolite; Saccharomyces cerevisiae metabolite
cystathionine	[no description available]	medium	1	0	cysteine derivative
edrophonium	[no description available]	medium	1	0	phenols; quaternary ammonium ion	antidote; diagnostic agent; EC 3.1.1.8 (cholinesterase) inhibitor
mercaptoethanol	[no description available]	medium	1	0	alkanethiol; primary alcohol	geroprotector
acetylthiocholine	[no description available]	medium	1	0
enadoline	[no description available]	medium	2	0
benzofurans	[no description available]	medium	2	0
nitroblue tetrazolium	[no description available]	medium	2	0	organic cation
l 365260	[no description available]	medium	1	0	benzodiazepine
antimycin a	[no description available]	medium	1	0	amidobenzoic acid
1-hexadecyl-2-acetyl-glycero-3-phosphocholine	[no description available]	medium	1	0	2-acetyl-1-alkyl-sn-glycero-3-phosphocholine	antihypertensive agent; beta-adrenergic antagonist; bronchoconstrictor agent; hematologic agent; vasodilator agent
clobazam	[no description available]	medium	1	0	1,4-benzodiazepinone; organochlorine compound	anticonvulsant; anxiolytic drug; GABA modulator
tiletamine	[no description available]	medium	1	0	aralkylamine
zolazepam	[no description available]	medium	1	0
1-aminocyclopropane-1-carboxylic acid	[no description available]	medium	2	0	amino acid zwitterion; monocarboxylic acid; non-proteinogenic alpha-amino acid	ethylene releasers; plant metabolite
mr 2266	[no description available]	medium	1	0
tyrosyl-prolyl-leucyl-glycinamide	[no description available]	medium	1	0
qx-222	[no description available]	medium	1	0	amino acid amide
n-n-propyl-n-phenylethyl-4(3-hydroxyphenyl)ethylamine hydrochloride	[no description available]	medium	1	0
pempidine	[no description available]	medium	2	0	piperidines
n 0437, (-)-isomer	[no description available]	medium	1	0	tetralins
thionine	[no description available]	medium	1	0
hexachlorocyclohexane	[no description available]	medium	1	0	chlorocyclohexane
dibenzylchlorethamine	[no description available]	medium	2	0
moxidectin	[no description available]	medium	2	0
n-phthaloyl-4-aminobutyric acid	[no description available]	medium	3	0
adenosine monophosphate	[no description available]	medium	1	0	adenosine 5'-phosphate; purine ribonucleoside 5'-monophosphate	adenosine A1 receptor agonist; cofactor; EC 3.1.3.1 (alkaline phosphatase) inhibitor; EC 3.1.3.11 (fructose-bisphosphatase) inhibitor; fundamental metabolite; micronutrient; nutraceutical
pancuronium	[no description available]	medium	2	0	acetate ester; steroid ester	cholinergic antagonist; muscle relaxant; nicotinic antagonist
n-methylscopolamine	[no description available]	medium	1	0
cyprodime	[no description available]	medium	1	0
tifluadom	[no description available]	medium	1	0	benzodiazepine
sk&f 100330-a	[no description available]	medium	2	0
bromazepam	[no description available]	medium	1	0	organic molecular entity
meprobamate	[no description available]	medium	1	0	organic molecular entity
3-(4-chlorophenyl)glutamic acid	[no description available]	medium	1	0
ru 24926	[no description available]	medium	1	0
dynorphins	[no description available]	medium	1	0
fmrfamide	[no description available]	medium	1	0
medetomidine	[no description available]	medium	1	0	imidazoles
cysteic acid	[no description available]	medium	1	0	alanine derivative; amino sulfonic acid; carboxyalkanesulfonic acid; cysteine derivative; non-proteinogenic alpha-amino acid	animal metabolite
cysteine sulfinic acid	[no description available]	medium	1	0
oxazolidin-2-one	[no description available]	medium	2	0	carbamate ester; oxazolidinone	metabolite
3-acetylpyridine	[no description available]	medium	2	0	aromatic ketone
zk 91296	[no description available]	medium	1	0
alcian blue	[no description available]	medium	1	0
glycine amide	[no description available]	medium	1	0	amino acid amide; glycine derivative
iproniazid	[no description available]	medium	1	0	carbohydrazide; pyridines
clorazepate dipotassium	[no description available]	medium	1	0	potassium salt	anticonvulsant; anxiolytic drug; GABA modulator; prodrug
decamethrin	[no description available]	medium	1	0	aromatic ether; cyclopropanecarboxylate ester; nitrile; organobromine compound	agrochemical; antifeedant; calcium channel agonist; EC 3.1.3.16 (phosphoprotein phosphatase) inhibitor; pyrethroid ester insecticide
oxazepam	[no description available]	medium	4	0	1,4-benzodiazepinone; organochlorine compound	anxiolytic drug; environmental contaminant; xenobiotic
l-pyroglutamyl-l-histidyl-3,3-dimethylprolinamide	[no description available]	medium	1	0
n-desmethylmethsuximide	[no description available]	medium	1	0
9,10-dihydroergosine	[no description available]	medium	2	0
cyclazocine	[no description available]	medium	1	0
ethylketocyclazocine	[no description available]	medium	1	0
ketazocine	[no description available]	medium	1	0
nitroglycerin	[no description available]	medium	1	0	nitroglycerol	explosive; muscle relaxant; nitric oxide donor; prodrug; tocolytic agent; vasodilator agent; xenobiotic
methaqualone	[no description available]	medium	1	0	quinazolines	GABA agonist; sedative
gamma-glutamylglycine	[no description available]	medium	1	0
fibrin	[no description available]	medium	1	0	peptide
indo-1	[no description available]	medium	1	0	indoles	fluorochrome
amifampridine	[no description available]	medium	1	0	aminopyridine
substance p (5-11), pglu(5)-mephe(8)-megly(9)-	[no description available]	medium	1	0
alpha-ethyl, alpha-methyl-thiobutyrolactone	[no description available]	medium	1	0	tetrahydrothiophenes
beta-ethyl, beta-methyl-thiobutyrolactone	[no description available]	medium	1	0
amperozide	[no description available]	medium	2	0	diarylmethane; monofluorobenzenes; N-alkylpiperazine; secondary carboxamide; ureas	anxiolytic drug; dopamine uptake inhibitor; geroprotector; second generation antipsychotic; serotonergic antagonist
bretazenil	[no description available]	medium	1	0
cysteamine	[no description available]	medium	1	0	amine; thiol	geroprotector; human metabolite; mouse metabolite; radiation protective agent
pregnanediol	[no description available]	medium	1	0
1-butanol	[no description available]	medium	1	0	alkyl alcohol; primary alcohol; short-chain primary fatty alcohol	human metabolite; mouse metabolite; protic solvent
5-alpha-dihydroprogesterone	[no description available]	medium	1	0	20-oxo steroid; 3-oxo-5alpha-steroid; C21-steroid hormone	human metabolite; progestogen
propanidid	[no description available]	medium	1	0	methoxybenzenes
lypressin	[no description available]	medium	1	0	cyclic peptide
normorphine	[no description available]	medium	1	0	morphinane alkaloid
sclareol glycol	[no description available]	medium	1	0
3-(methoxycarbonyl)amino-beta-carboline	[no description available]	medium	1	0
glycerol	[no description available]	medium	3	0	alditol; triol	algal metabolite; detergent; Escherichia coli metabolite; geroprotector; human metabolite; mouse metabolite; osmolyte; Saccharomyces cerevisiae metabolite; solvent
ethanolamine	[no description available]	medium	2	0	ethanolamines; primary alcohol; primary amine	Escherichia coli metabolite; human metabolite; mouse metabolite
glycolipids	[no description available]	medium	1	0
ibogaine	[no description available]	medium	1	0
tabernanthine	[no description available]	medium	1	0
enalapril	[no description available]	medium	1	0	dicarboxylic acid monoester; dipeptide	antihypertensive agent; EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor; geroprotector; prodrug
metapramine	[no description available]	medium	1	0	dibenzooxazepine
acamprosate	[no description available]	medium	1	0	acetamides; organosulfonic acid	environmental contaminant; neurotransmitter agent; xenobiotic
leupeptin	[no description available]	medium	1	0	aldehyde; tripeptide	bacterial metabolite; calpain inhibitor; cathepsin B inhibitor; EC 3.4.21.4 (trypsin) inhibitor; serine protease inhibitor
alpha-chymotrypsin	[no description available]	medium	1	0
2,3-piperidinedicarboxylic acid	[no description available]	medium	2	0
2-phenylpyrazolo(4,3-c)quinolin-3(5h)-one	[no description available]	medium	1	0
5-(2-cyclohexylidene-ethyl)-5-ethylbarbiturate	[no description available]	medium	1	0
tremorine	[no description available]	medium	1	0	N-alkylpyrrolidine
metiamide	[no description available]	medium	1	0	imidazoles
doxapram	[no description available]	medium	1	0	morpholines; pyrrolidin-2-ones	central nervous system stimulant
naxagolide	[no description available]	medium	1	0	organic heterotricyclic compound; phenols; tertiary amino compound	anticonvulsant; antiparkinson drug; dopamine agonist
ammonium acetate	[no description available]	medium	1	0	acetate salt; ammonium salt	buffer; food acidity regulator
omega-aminocaprylic acid	[no description available]	medium	1	0	medium-chain fatty acid; omega-amino fatty acid	human metabolite
caprylates	[no description available]	medium	1	0	fatty acid anion 8:0; straight-chain saturated fatty acid anion	human metabolite; Saccharomyces cerevisiae metabolite
rubidium	[no description available]	medium	1	0	alkali metal atom
mephobarbital	[no description available]	medium	1	0	barbiturates	anticonvulsant
phosphorylethanolamine	[no description available]	medium	3	0	phosphoethanolamine; primary amino compound	algal metabolite; human metabolite; mouse metabolite
vanadium	[no description available]	medium	1	0	elemental vanadium; vanadium group element atom	micronutrient
4-chloromercuribenzenesulfonate	[no description available]	medium	1	0	arenesulfonic acid; arylmercury compound
tofisopam	[no description available]	medium	1	0	organic molecular entity
2,3,4,6-tetrachlorophenol	[no description available]	medium	1	0	tetrachlorophenol	xenobiotic metabolite
fengabine	[no description available]	medium	1	0
normetanephrine	[no description available]	medium	1	0	catecholamine
3-hydroxypregn-4-en-20-one	[no description available]	medium	1	0
2-deoxyglucose-6-phosphate	[no description available]	medium	1	0	deoxyaldohexose phosphate	Escherichia coli metabolite; Mycoplasma genitalium metabolite
triiodothyronine	[no description available]	medium	1	0	tetrahydrothiophenes; thiolactone	human metabolite
prednisolone	[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; 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
glutaurine	[no description available]	medium	1	0	dipeptide zwitterion; dipeptide; L-glutamine derivative; sulfonic acid	anticonvulsant; anxiolytic drug; hormone; human metabolite; mammalian metabolite; mouse metabolite
cdp ethanolamine	[no description available]	medium	1	0	nucleotide-(amino alcohol)s; phosphoethanolamine	mouse metabolite
cytidine diphosphate	[no description available]	medium	1	0	cytidine 5'-phosphate; pyrimidine ribonucleoside 5'-diphosphate	Escherichia coli metabolite; mouse metabolite
phosphorylcholine	[no description available]	medium	1	0	phosphocholines	allergen; epitope; hapten; human metabolite; mouse metabolite
hexylresorcinol	[no description available]	medium	1	0	resorcinols
pyrantel tartrate	[no description available]	medium	1	0
piperazine	[no description available]	medium	1	0	azacycloalkane; piperazines; saturated organic heteromonocyclic parent	anthelminthic drug
diethylcarbamazine	[no description available]	medium	1	0	N-carbamoylpiperazine; N-methylpiperazine
5-thio-d-glucose	[no description available]	medium	1	0
potassium sulfate	[no description available]	medium	1	0	inorganic potassium salt; potassium salt
4-methoxymethylpyridoxine	[no description available]	medium	2	0	pyridines
2-pyrrolidone	[no description available]	medium	1	0	pyrrolidin-2-ones	metabolite; polar solvent
arachidonyl-coenzyme a	[no description available]	medium	1	0	arachidonoyl bioconjugate; unsaturated fatty acyl-CoA
soman	[no description available]	medium	1	0	phosphonic ester
malondialdehyde	[no description available]	medium	1	0	dialdehyde	biomarker
isoflurophate	[no description available]	medium	1	0	dialkyl phosphate
fomesafen	[no description available]	medium	94	0	aromatic ether; C-nitro compound; monochlorobenzenes; N-sulfonylcarboxamide; organofluorine compound; phenols	agrochemical; EC 1.3.3.4 (protoporphyrinogen oxidase) inhibitor; herbicide
nociceptin	[no description available]	medium	8	0	organic molecular entity; polypeptide	human metabolite; rat metabolite
eye	[no description available]	medium	6	0
trolamine salicylate	[no description available]	medium	7	0
isomethyleugenol	[no description available]	medium	2	0	isomethyleugenol
s,n,n'-tripropylthiocarbamate	[no description available]	medium	19	0	tertiary amine
ants	[no description available]	medium	1	0
2-propanol	[no description available]	medium	1	0	secondary alcohol; secondary fatty alcohol	protic solvent
inositol 3-phosphate	[no description available]	medium	2	0
apnea	[no description available]	medium	7	0	purine nucleoside
jaw	[no description available]	medium	8	0	indolecarboxamide
hypericum	[no description available]	medium	2	0	penicillanic acids
kava	[no description available]	medium	1	0
bassianolide	[no description available]	medium	1	0	cyclodepsipeptide; cyclooctadepsipeptide	antineoplastic agent; fungal metabolite; insecticide
guaifenesin	[no description available]	medium	1	0	methoxybenzenes
torpedo	[no description available]	medium	2	0
parathion	[no description available]	low	0	0	C-nitro compound; organic thiophosphate; organothiophosphate insecticide	acaricide; agrochemical; avicide; EC 3.1.1.7 (acetylcholinesterase) inhibitor; EC 3.1.1.8 (cholinesterase) inhibitor; mouse metabolite
2,4-dichlorophenoxyacetic acid	[no description available]	low	0	0	chlorophenoxyacetic acid; dichlorobenzene	agrochemical; defoliant; EC 1.1.1.25 (shikimate dehydrogenase) inhibitor; environmental contaminant; phenoxy herbicide; synthetic auxin
4-(2,4-dichlorophenoxy)butyric acid	[no description available]	low	0	0	aromatic ether; monocarboxylic acid; organochlorine compound	agrochemical; phenoxy herbicide; synthetic auxin
acephate	[no description available]	low	0	0	mixed diacylamine; organic thiophosphate; organothiophosphate insecticide; phosphoramide	acaricide; agrochemical; EC 3.1.1.7 (acetylcholinesterase) inhibitor
azinphosmethyl	[no description available]	low	0	0	benzotriazines; organic thiophosphate; organothiophosphate insecticide	agrochemical; EC 3.1.1.7 (acetylcholinesterase) inhibitor; EC 3.1.1.8 (cholinesterase) inhibitor
bendiocarb	[no description available]	low	0	0	benzodioxoles; carbamate ester	agrochemical; carbamate insecticide; EC 3.1.1.7 (acetylcholinesterase) inhibitor
benefin	[no description available]	low	0	0	C-nitro compound; organofluorine compound; substituted aniline; tertiary amino compound	agrochemical; herbicide
carbofuran	[no description available]	low	0	0	1-benzofurans; carbamate ester	acaricide; agrochemical; avicide; carbamate insecticide; EC 3.1.1.7 (acetylcholinesterase) inhibitor; EC 3.1.1.8 (cholinesterase) inhibitor; nematicide
chlorpyrifos	[no description available]	low	0	0	chloropyridine; organic thiophosphate	acaricide; agrochemical; EC 3.1.1.7 (acetylcholinesterase) inhibitor; EC 3.1.1.8 (cholinesterase) inhibitor; environmental contaminant; insecticide; xenobiotic
coumaphos	[no description available]	low	0	0	organic thiophosphate; organochlorine compound; organothiophosphate insecticide	acaricide; agrochemical; antinematodal drug; avicide; EC 3.1.1.8 (cholinesterase) inhibitor
cypermethrin	[no description available]	low	0	0	aromatic ether; cyclopropanecarboxylate ester; nitrile; organochlorine compound	agrochemical; molluscicide; pyrethroid ester acaricide; pyrethroid ester insecticide
diazinon	[no description available]	low	0	0	organic thiophosphate; pyrimidines	acaricide; agrochemical; EC 3.1.1.7 (acetylcholinesterase) inhibitor; EC 3.1.1.8 (cholinesterase) inhibitor; environmental contaminant; nematicide; xenobiotic
dicamba	[no description available]	low	0	0	dichlorobenzene; methoxybenzoic acid	agrochemical; environmental contaminant; herbicide; synthetic auxin; xenobiotic
dichlobanil	[no description available]	low	0	0	dichlorobenzene; nitrile	agrochemical; cellulose synthesis inhibitor; environmental contaminant; herbicide; xenobiotic
dimethoate	[no description available]	low	0	0	monocarboxylic acid amide; organic thiophosphate	acaricide; agrochemical; EC 3.1.1.7 (acetylcholinesterase) inhibitor; EC 3.1.1.8 (cholinesterase) inhibitor; environmental contaminant; insecticide; xenobiotic
disulfoton	[no description available]	low	0	0	organic thiophosphate; organothiophosphate insecticide	acaricide; agrochemical; EC 3.1.1.7 (acetylcholinesterase) inhibitor
endosulfan	[no description available]	low	0	0	cyclic sulfite ester; cyclodiene organochlorine insecticide	acaricide; agrochemical; GABA-gated chloride channel antagonist; persistent organic pollutant
ethion	[no description available]	low	0	0	organic thiophosphate	acaricide; agrochemical; EC 3.1.1.7 (acetylcholinesterase) inhibitor; environmental contaminant; insecticide
ethoprophos	[no description available]	low	0	0	organic thiophosphate; organothiophosphate insecticide	agrochemical; antinematodal drug; EC 3.1.1.7 (acetylcholinesterase) inhibitor
fenthion	[no description available]	low	0	0	organic thiophosphate	acaricide; agrochemical; avicide; EC 3.1.1.7 (acetylcholinesterase) inhibitor; EC 3.1.1.8 (cholinesterase) inhibitor; insecticide
heptachlor	[no description available]	low	0	0	cyclodiene organochlorine insecticide	agrochemical; antibacterial agent; antifungal agent; GABA-gated chloride channel antagonist; persistent organic pollutant
methamidophos	[no description available]	low	0	0	organic thiophosphate; organothiophosphate insecticide; phosphoramide	acaricide; agrochemical; avicide
methomyl	[no description available]	low	0	0	aliphatic sulfide; carbamate ester	acaricide; agrochemical; EC 3.1.1.7 (acetylcholinesterase) inhibitor; EC 3.1.1.8 (cholinesterase) inhibitor; environmental contaminant; insecticide; nematicide; xenobiotic
methyl parathion	[no description available]	low	0	0	C-nitro compound; organic thiophosphate; organothiophosphate insecticide	acaricide; agrochemical; antifungal agent; EC 3.1.1.7 (acetylcholinesterase) inhibitor; EC 3.1.1.8 (cholinesterase) inhibitor; environmental contaminant; genotoxin
naled	[no description available]	low	0	0	dialkyl phosphate; organobromine compound; organochlorine compound; organophosphate insecticide	acaricide; agrochemical; antibacterial agent; antifungal agent; EC 3.1.1.7 (acetylcholinesterase) inhibitor; EC 3.1.1.8 (cholinesterase) inhibitor
phorate	[no description available]	low	0	0	organic thiophosphate; organothiophosphate insecticide	acaricide; agrochemical; EC 3.1.1.7 (acetylcholinesterase) inhibitor; EC 3.1.1.8 (cholinesterase) inhibitor
phosalone	[no description available]	low	0	0	1,3-benzoxazoles; carbamate ester; organochlorine insecticide; organothiophosphate insecticide	acaricide; agrochemical; EC 3.1.1.7 (acetylcholinesterase) inhibitor; EC 3.1.1.8 (cholinesterase) inhibitor
propoxur	[no description available]	low	0	0	aromatic ether; carbamate ester	acaricide; agrochemical; carbamate insecticide; EC 3.1.1.7 (acetylcholinesterase) inhibitor
resmethrin	[no description available]	low	0	0	cyclopropanecarboxylate ester; furans	agrochemical; pyrethroid ester insecticide
roxarsone	[no description available]	low	0	0	2-nitrophenols; organoarsonic acid	agrochemical; animal growth promotant; antibacterial drug; coccidiostat
temefos	[no description available]	low	0	0	organic sulfide; organic thiophosphate; organothiophosphate insecticide	acaricide; agrochemical; EC 3.1.1.7 (acetylcholinesterase) inhibitor; ectoparasiticide
trifluralin	[no description available]	low	0	0	(trifluoromethyl)benzenes; C-nitro compound; substituted aniline	agrochemical; environmental contaminant; herbicide; xenobiotic
trichlorfon	[no description available]	low	0	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
famophos	[no description available]	low	0	0	organic thiophosphate; organothiophosphate insecticide	agrochemical; anthelminthic drug; EC 3.1.1.7 (acetylcholinesterase) inhibitor
carbaryl	[no description available]	low	0	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
dinitrofluorobenzene	[no description available]	low	0	0	C-nitro compound; organofluorine compound	agrochemical; allergen; chromatographic reagent; EC 2.7.3.2 (creatine kinase) inhibitor; protein-sequencing agent; spectrophotometric reagent
fenuron	[no description available]	low	0	0	3-(3,4-substituted-phenyl)-1,1-dimethylurea	agrochemical; environmental contaminant; herbicide; photosystem-II inhibitor; xenobiotic
glyoxal	[no description available]	low	0	0	dialdehyde	agrochemical; allergen; pesticide; plant growth regulator
fensulfothion	[no description available]	low	0	0	organic thiophosphate; organothiophosphate insecticide; sulfoxide	agrochemical; avicide; EC 3.1.1.7 (acetylcholinesterase) inhibitor; nematicide
pyridafenthion	[no description available]	low	0	0	organic thiophosphate; organothiophosphate insecticide; pyridazinone	agrochemical; EC 3.1.1.7 (acetylcholinesterase) inhibitor
linuron	[no description available]	low	0	0	dichlorobenzene; phenylureas	agrochemical; environmental contaminant; herbicide; xenobiotic
chlorfenvinphos	[no description available]	low	0	0	dichlorobenzene; organic phosphate; organochlorine acaricide; organochlorine insecticide; organophosphate insecticide	agrochemical; EC 3.1.1.7 (acetylcholinesterase) inhibitor; EC 3.1.1.8 (cholinesterase) inhibitor
carvacrol	[no description available]	low	0	0	botanical anti-fungal agent; p-menthane monoterpenoid; phenols	agrochemical; antimicrobial agent; flavouring agent; TRPA1 channel agonist; volatile oil component
thiometon	[no description available]	low	0	0	organic thiophosphate; organosulfur compound; organothiophosphate insecticide	acaricide; agrochemical; EC 3.1.1.7 (acetylcholinesterase) inhibitor
phosmet	[no description available]	low	0	0	organic thiophosphate; organothiophosphate insecticide; phthalimides	acaricide; agrochemical; EC 3.1.1.7 (acetylcholinesterase) inhibitor
demeton-s-methyl	[no description available]	low	0	0	organic thiophosphate; organothiophosphate insecticide	acaricide; agrochemical; EC 3.1.1.7 (acetylcholinesterase) inhibitor
fonofos	[no description available]	low	0	0	organic thiophosphate; organothiophosphate insecticide	agrochemical; EC 3.1.1.7 (acetylcholinesterase) inhibitor; EC 3.1.1.8 (cholinesterase) inhibitor
methidathion	[no description available]	low	0	0	organic thiophosphate; organothiophosphate insecticide	acaricide; agrochemical; EC 3.1.1.7 (acetylcholinesterase) inhibitor
dimethoxon	[no description available]	low	0	0	organic thiophosphate; organothiophosphate insecticide	acaricide; agrochemical; EC 3.1.1.7 (acetylcholinesterase) inhibitor
metolcarb	[no description available]	low	0	0	carbamate ester	acaricide; agrochemical; carbamate insecticide; EC 3.1.1.7 (acetylcholinesterase) inhibitor
nitrapyrin	[no description available]	low	0	0	chloropyridine	agrochemical; antibacterial agent; nitrification inhibitor
aminocarb	[no description available]	low	0	0	carbamate ester; toluenes	acaricide; agrochemical; carbamate insecticide; EC 3.1.1.7 (acetylcholinesterase) inhibitor; molluscicide
methiocarb	[no description available]	low	0	0	aryl sulfide; carbamate ester; methyl sulfide	acaricide; agrochemical; avicide; EC 3.1.1.7 (acetylcholinesterase) inhibitor; environmental contaminant; insecticide; molluscicide; xenobiotic
phenylphosphonothioic acid, 2-ethyl 2-(4-nitrophenyl) ester	[no description available]	low	0	0	organic phosphonate; organothiophosphate insecticide; phosphonic ester	acaricide; agrochemical; EC 3.1.1.7 (acetylcholinesterase) inhibitor
lenacil	[no description available]	low	0	0	cyclopentapyrimidine	agrochemical; environmental contaminant; herbicide; xenobiotic
fluometuron	[no description available]	low	0	0	(trifluoromethyl)benzenes; 3-(3,4-substituted-phenyl)-1,1-dimethylurea	agrochemical; environmental contaminant; herbicide; photosystem-II inhibitor; xenobiotic
molinate	[no description available]	low	0	0	azepanes; monothiocarbamic ester	agrochemical; antispermatogenic agent; herbicide
quinomethionate	[no description available]	low	0	0	dithioloquinoxaline; quinoxaline acaricide; quinoxaline antifungal agent	agrochemical
mecarbam	[no description available]	low	0	0	carbamate ester; organic thiophosphate; organothiophosphate insecticide	acaricide; agrochemical; EC 3.1.1.7 (acetylcholinesterase) inhibitor
phenthoate, (+-)-isomer	[no description available]	low	0	0	ethyl ester; organic thiophosphate; organothiophosphate insecticide	acaricide; agrochemical; EC 3.1.1.7 (acetylcholinesterase) inhibitor
isoprocarb	[no description available]	low	0	0	carbamate ester	agrochemical; carbamate insecticide; EC 3.1.1.7 (acetylcholinesterase) inhibitor
cyanophos	[no description available]	low	0	0	organic thiophosphate; organothiophosphate insecticide	agrochemical; EC 3.1.1.7 (acetylcholinesterase) inhibitor
azinphos ethyl	[no description available]	low	0	0	organic thiophosphate; organothiophosphate insecticide	acaricide; agrochemical; EC 3.1.1.7 (acetylcholinesterase) inhibitor
mepiquat	[no description available]	low	0	0	quaternary ammonium ion	agrochemical; Maillard reaction product; plant growth retardant
asulam	[no description available]	low	0	0	carbamate ester; primary amino compound; substituted aniline; sulfonamide	agrochemical; EC 2.5.1.15 (dihydropteroate synthase) inhibitor; environmental contaminant; herbicide; xenobiotic
sulfotepp	[no description available]	low	0	0	organic thiophosphate; organothiophosphate insecticide	acaricide; agrochemical; EC 3.1.1.7 (acetylcholinesterase) inhibitor; EC 3.1.1.8 (cholinesterase) inhibitor
bpmc	[no description available]	low	0	0	carbamate ester	agrochemical; EC 3.1.1.7 (acetylcholinesterase) inhibitor; environmental contaminant; herbicide; insecticide
chlorpyrifos-methyl	[no description available]	low	0	0	chloropyridine; organic thiophosphate	acaricide; agrochemical; EC 3.1.1.7 (acetylcholinesterase) inhibitor; environmental contaminant; insecticide; xenobiotic
desmedipham	[no description available]	low	0	0	carbamate ester	agrochemical; environmental contaminant; herbicide; xenobiotic
terbufos	[no description available]	low	0	0	organic thiophosphate; organosulfur compound; organothiophosphate insecticide	agrochemical; EC 3.1.1.7 (acetylcholinesterase) inhibitor; nematicide
quinalphos	[no description available]	low	0	0	organic thiophosphate; organothiophosphate insecticide	acaricide; agrochemical; EC 3.1.1.7 (acetylcholinesterase) inhibitor
chlortoluron	[no description available]	low	0	0	monochlorobenzenes; phenylureas	agrochemical; environmental contaminant; herbicide; xenobiotic
oryzalin	[no description available]	low	0	0	aromatic amine; C-nitro compound; sulfonamide; tertiary amino compound	agrochemical; antimitotic; herbicide
methoxuron	[no description available]	low	0	0	3-(3,4-substituted-phenyl)-1,1-dimethylurea; monochlorobenzenes; monomethoxybenzene	agrochemical; environmental contaminant; herbicide; photosystem-II inhibitor; plant growth regulator; xenobiotic
metribuzin	[no description available]	low	0	0	1,2,4-triazines; cyclic ketone; organic sulfide	agrochemical; environmental contaminant; herbicide; xenobiotic
fenamiphos	[no description available]	low	0	0	organophosphate insecticide; organophosphate nematicide; phosphoramidate ester	acaricide; agrochemical; EC 3.1.1.7 (acetylcholinesterase) inhibitor
formetanate	[no description available]	low	0	0	carbamate ester	acaricide; agrochemical; carbamate insecticide; EC 3.1.1.7 (acetylcholinesterase) inhibitor
fenitrothion	[no description available]	low	0	0	C-nitro compound; organic thiophosphate	acaricide; agrochemical; EC 3.1.1.7 (acetylcholinesterase) inhibitor; EC 3.1.1.8 (cholinesterase) inhibitor; insecticide
pirimicarb	[no description available]	low	0	0	aminopyrimidine; carbamate ester; tertiary amino compound	agrochemical; carbamate insecticide; EC 3.1.1.7 (acetylcholinesterase) inhibitor; environmental contaminant; insecticide; xenobiotic
pronamide	[no description available]	low	0	0	benzamides; dichlorobenzene; terminal acetylenic compound	agrochemical; herbicide
triazophos	[no description available]	low	0	0	organic thiophosphate; organothiophosphate insecticide	acaricide; agrochemical; EC 3.1.1.7 (acetylcholinesterase) inhibitor; nematicide
2,6-diisopropylnaphthalene	[no description available]	low	0	0	naphthalenes	agrochemical; plant growth retardant
isofenphos	[no description available]	low	0	0	isopropyl ester; organic phosphonate; organothiophosphate insecticide; phosphonic ester; salicylates	agrochemical; EC 3.1.1.7 (acetylcholinesterase) inhibitor
norflurazone	[no description available]	low	0	0	(trifluoromethyl)benzenes; organochlorine compound; pyridazinone; secondary amino compound	agrochemical; carotenoid biosynthesis inhibitor; herbicide
pirimiphos methyl	[no description available]	low	0	0	aminopyrimidine; organic thiophosphate	acaricide; agrochemical; EC 3.1.1.7 (acetylcholinesterase) inhibitor; environmental contaminant; insecticide
croneton	[no description available]	low	0	0	carbamate ester	agrochemical; carbamate insecticide; EC 3.1.1.7 (acetylcholinesterase) inhibitor
isoproturon	[no description available]	low	0	0	3-(3,4-substituted-phenyl)-1,1-dimethylurea	agrochemical; environmental contaminant; herbicide; xenobiotic
prothiophos	[no description available]	low	0	0	dichlorobenzene; organic thiophosphate; organosulfur compound	agrochemical; EC 3.1.1.7 (acetylcholinesterase) inhibitor; EC 3.1.1.8 (cholinesterase) inhibitor; insecticide
sulprofos	[no description available]	low	0	0	organic thiophosphate; organosulfur compound; organothiophosphate insecticide	agrochemical; EC 3.1.1.7 (acetylcholinesterase) inhibitor
cyphenothrin	[no description available]	low	0	0	cyclopropanecarboxylate ester	agrochemical; pyrethroid ester insecticide
pendimethalin	[no description available]	low	0	0	C-nitro compound; secondary amino compound; substituted aniline	agrochemical; environmental contaminant; herbicide
profenofos	[no description available]	low	0	0	monochlorobenzenes; organic thiophosphate; organochlorine insecticide; organophosphate insecticide	acaricide; agrochemical; EC 3.1.1.7 (acetylcholinesterase) inhibitor
permethrin	[no description available]	low	0	0	cyclopropanecarboxylate ester; cyclopropanes	agrochemical; ectoparasiticide; pyrethroid ester acaricide; pyrethroid ester insecticide; scabicide
dibutylaminosulfenylcarbofuran	[no description available]	low	0	0	1-benzofurans; carbamate ester	acaricide; agrochemical; carbamate insecticide; EC 3.1.1.7 (acetylcholinesterase) inhibitor; nematicide
triclopyr	[no description available]	low	0	0	aromatic ether; chloropyridine; monocarboxylic acid	agrochemical; environmental contaminant; herbicide; xenobiotic
acifluorfen	[no description available]	low	0	0	aromatic ether; benzoic acids; C-nitro compound; monocarboxylic acid; organochlorine compound; organofluorine compound	agrochemical; EC 1.3.3.4 (protoporphyrinogen oxidase) inhibitor; herbicide
fenpropathrin, (+-)-isomer	[no description available]	low	0	0	aromatic ether; cyclopropanecarboxylate ester	agrochemical; pyrethroid ester acaricide; pyrethroid ester insecticide
chlorsulfuron	[no description available]	low	0	0	methoxy-1,3,5-triazine; monochlorobenzenes; N-sulfonylurea	agrochemical; EC 2.2.1.6 (acetolactate synthase) inhibitor; herbicide
deltanit	[no description available]	low	0	0	1-benzofurans; carbamate ester	agrochemical; carbamate insecticide; EC 3.1.1.7 (acetylcholinesterase) inhibitor
fluvalinate	[no description available]	low	0	0	(trifluoromethyl)benzenes; aromatic ether; monochlorobenzenes; nitrile; organochlorine acaricide; organochlorine insecticide; organofluorine acaricide; organofluorine insecticide	agrochemical; pyrethroid ester acaricide; pyrethroid ester insecticide
oxadixyl	[no description available]	low	0	0	anilide fungicide; aromatic amide; carbohydrazide; ether; oxazolidinone	agrochemical
clomazone	[no description available]	low	0	0	isoxazolidinone; monochlorobenzenes	agrochemical; carotenoid biosynthesis inhibitor; environmental contaminant; herbicide; xenobiotic
benfuracarb	[no description available]	low	0	0	1-benzofurans; carbamate ester; ethyl ester	agrochemical; carbamate insecticide; EC 3.1.1.7 (acetylcholinesterase) inhibitor
methyl bensulfuron	[no description available]	low	0	0	aromatic ether; methyl ester; N-sulfonylurea; pyrimidines	agrochemical; EC 2.2.1.6 (acetolactate synthase) inhibitor; herbicide
chlorimuron ethyl	[no description available]	low	0	0	aromatic ether; ethyl ester; N-sulfonylurea; organochlorine pesticide; pyrimidines; sulfamoylbenzoate	agrochemical; EC 2.2.1.6 (acetolactate synthase) inhibitor; proherbicide
cuprous chloride	[no description available]	low	0	0	copper molecular entity; inorganic chloride	agrochemical; molluscicide
heptenophos	[no description available]	low	0	0	organochlorine compound; organophosphate insecticide; trialkyl phosphate	acaricide; agrochemical; EC 3.1.1.7 (acetylcholinesterase) inhibitor
nitarsone	[no description available]	low	0	0	C-nitro compound; organoarsonic acid	agrochemical; antiprotozoal drug
azamethiphos	[no description available]	low	0	0	organic thiophosphate; organochlorine acaricide; organochlorine insecticide; organothiophosphate insecticide	agrochemical; EC 3.1.1.7 (acetylcholinesterase) inhibitor
triasulfuron	[no description available]	low	0	0	1,3,5-triazines; aromatic ether; N-sulfonylurea; organochlorine compound	agrochemical; herbicide
thifensulfuron methyl	[no description available]	low	0	0	1,3,5-triazines; methyl ester; N-sulfonylurea; thiophenes	agrochemical; environmental contaminant; herbicide; xenobiotic
isoxaflutole	[no description available]	low	0	0	(trifluoromethyl)benzenes; aromatic ketone; cyclopropanes; isoxazoles; sulfone	agrochemical; EC 1.13.11.27 (4-hydroxyphenylpyruvate dioxygenase) inhibitor; proherbicide
n-(2,4-dichloro-5-(4-(difluoromethyl)-4,5-dihydro-3-methyl-5-oxo-1h-1,2,4-triazol-1-yl)phenyl)methanesulfonamide	[no description available]	low	0	0	dichlorobenzene; organofluorine compound; sulfonamide; triazoles	agrochemical; EC 1.3.3.4 (protoporphyrinogen oxidase) inhibitor; herbicide
cloransulam-methyl	[no description available]	low	0	0	methyl ester; monochlorobenzenes; organofluorine compound; sulfonamide; triazolopyrimidines	agrochemical; EC 2.2.1.6 (acetolactate synthase) inhibitor; herbicide
bay 93820	[no description available]	low	0	0	isopropyl ester; organic phosphonate; organothiophosphate insecticide; phosphonic ester; salicylates	agrochemical; avicide; EC 3.1.1.7 (acetylcholinesterase) inhibitor
raiser	[no description available]	low	0	0	(trifluoromethyl)benzenes; organochlorine compound; pyrrolidines	agrochemical; carotenoid biosynthesis inhibitor; herbicide
quinclorac	[no description available]	low	0	0	monocarboxylic acid; organochlorine compound; quinolinemonocarboxylic acid	agrochemical; herbicide; synthetic auxin
cadusafos	[no description available]	low	0	0	organic thiophosphate; organothiophosphate insecticide	agrochemical; EC 3.1.1.7 (acetylcholinesterase) inhibitor; nematicide
fosthiazate	[no description available]	low	0	0	organic phosphonate; organothiophosphate insecticide; phosphonic ester	agrochemical; EC 3.1.1.7 (acetylcholinesterase) inhibitor; nematicide
aclonifen	[no description available]	low	0	0	aromatic ether; C-nitro compound; monochlorobenzenes; primary amino compound; substituted aniline	agrochemical; carotenoid biosynthesis inhibitor; EC 1.3.3.4 (protoporphyrinogen oxidase) inhibitor; herbicide
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
clodinafop-propargyl	[no description available]	low	0	0	aromatic ether; carboxylic ester; organochlorine compound; organofluorine compound; propyzamide; pyridines	agrochemical; EC 6.4.1.2 (acetyl-CoA carboxylase) inhibitor; herbicide
triflusulfuron-methyl	[no description available]	low	0	0	1,3,5-triazines; aromatic ether; benzoate ester; methyl ester; N-sulfonylurea; organofluorine compound; tertiary amino compound	agrochemical; EC 2.2.1.6 (acetolactate synthase) inhibitor; proherbicide
pyraclofos	[no description available]	low	0	0	monochlorobenzenes; organic thiophosphate; organochlorine insecticide; organosulfur compound; organothiophosphate insecticide; pyrazoles	agrochemical; EC 3.1.1.7 (acetylcholinesterase) inhibitor
cyfluthrin	[no description available]	low	0	0	aromatic ether; cyclopropanecarboxylate ester; nitrile; organochlorine compound; organofluorine compound	agrochemical; pyrethroid ester insecticide
1-methylcyclopropene	[no description available]	low	0	0	cycloalkene; cyclopropenes	agrochemical; plant growth regulator
cafenstrole	[no description available]	low	0	0	benzenes; sulfone; triazoles	agrochemical; antimitotic; herbicide
pinoxaden	[no description available]	low	0	0	pivalate ester; pyrazolooxadiazepine	agrochemical; EC 6.4.1.2 (acetyl-CoA carboxylase) inhibitor; environmental contaminant; proherbicide; xenobiotic
tioxazafen	[no description available]	low	0	0	1,2,4-oxadiazole; thiophenes	agrochemical; nematicide
cyhalothrin	[no description available]	low	0	0	aromatic ether; cyclopropanecarboxylate ester; nitrile; organochlorine compound; organofluorine compound	agrochemical; pyrethroid ester acaricide; pyrethroid ester insecticide
tetrachlorvinphos	[no description available]	low	0	0	alkenyl phosphate; dialkyl phosphate; organochlorine insecticide; organophosphate insecticide; trichlorobenzene	acaricide; agrochemical; EC 3.1.1.7 (acetylcholinesterase) inhibitor; EC 3.1.1.8 (cholinesterase) inhibitor
dicrotophos	[no description available]	low	0	0	dialkyl phosphate; organophosphate insecticide	acaricide; agrochemical; avicide; EC 3.1.1.7 (acetylcholinesterase) inhibitor
monocrotophos	[no description available]	low	0	0	alkenyl phosphate; dialkyl phosphate; monocarboxylic acid amide; organophosphate insecticide	acaricide; agrochemical; avicide; EC 1.4.3.4 (monoamine oxidase) inhibitor; EC 3.1.1.7 (acetylcholinesterase) inhibitor; EC 3.1.1.8 (cholinesterase) inhibitor
propetamphos	[no description available]	low	0	0	isopropyl ester; organophosphate insecticide; phosphoramidate ester	agrochemical; EC 3.1.1.7 (acetylcholinesterase) inhibitor
tolfenpyrad	[no description available]	low	0	0	aromatic amide; aromatic ether; organochlorine compound; pyrazole insecticide	agrochemical; antifungal agent; EC 1.3.5.1 [succinate dehydrogenase (quinone)] inhibitor; mitochondrial NADH:ubiquinone reductase inhibitor
pydrin, (s-(r,r))-isomer	[no description available]	low	0	0	fenvalerate	agrochemical; pyrethroid ester insecticide
mefenoxam	[no description available]	low	0	0	acylamino acid fungicide; anilide fungicide; D-alanine derivative; methyl N-(2,6-dimethylphenyl)-N-(methoxyacetyl)alaninate	agrochemical
fluensulfone	[no description available]	low	0	0	1,3-thiazoles; olefinic compound; organochlorine pesticide; organofluorine pesticide; sulfone	agrochemical; nematicide
tembotrione	[no description available]	low	0	0	aromatic ketone; beta-triketone; cyclic ketone; ether; monochlorobenzenes; organofluorine compound; sulfone	agrochemical; carotenoid biosynthesis inhibitor; EC 1.13.11.27 (4-hydroxyphenylpyruvate dioxygenase) inhibitor; herbicide
haloxyfop-P-methyl	[no description available]	low	0	0	methyl 2-(4-{[3-chloro-5-(trifluoromethyl)pyridin-2-yl]oxy}phenoxy)propanoate	agrochemical; EC 6.4.1.2 (acetyl-CoA carboxylase) inhibitor; proherbicide
alpha(-(cyclopropylcarbonyl)-2-(methyvlsulfonyl)-beta-oxo-4-(trifluromethyl)benzenepropanenitrile)	[no description available]	low	0	0	(trifluoromethyl)benzenes; aromatic ketone; beta-diketone; cyclopropanes; nitrile; sulfone	agrochemical; EC 1.13.11.27 (4-hydroxyphenylpyruvate dioxygenase) inhibitor; herbicide
cyenopyrafen	[no description available]	low	0	0	nitrile; pivalate ester; pyrazoles	agrochemical; proacaricide
fluazaindolizine	[no description available]	low	0	0	aromatic amide; imidazopyridine; monocarboxylic acid amide; monochlorobenzenes; monomethoxybenzene; N-sulfonylcarboxamide; organofluorine pesticide	agrochemical; nematicide
afidopyropen	[no description available]	low	0	0	cyclopropanecarboxylate ester; organic heterotetracyclic compound; pyridines; secondary alcohol	agrochemical; insecticide; TRPV channel modulator
pemoline	[no description available]	low	0	0	1,3-oxazoles	central nervous system stimulant
phentermine	[no description available]	low	0	0	primary amine	adrenergic agent; appetite depressant; central nervous system drug; central nervous system stimulant; dopaminergic agent; sympathomimetic agent
8-chlorotheophylline	[no description available]	low	0	0	organochlorine compound; purines	central nervous system stimulant
benzydamine	[no description available]	low	0	0	aromatic ether; indazoles; tertiary amino compound	analgesic; central nervous system stimulant; hallucinogen; local anaesthetic; non-steroidal anti-inflammatory drug
almitrine	[no description available]	low	0	0	piperazines; triamino-1,3,5-triazine	central nervous system stimulant
cathinone	[no description available]	low	0	0	2-aminopropiophenone; monoamine alkaloid	central nervous system stimulant; psychotropic drug
tenocyclidine	[no description available]	low	0	0	piperidines; tertiary amino compound; thiophenes	central nervous system stimulant; hallucinogen; neuroprotective agent; NMDA receptor antagonist
doxapram hydrochloride	[no description available]	low	0	0	hydrochloride	central nervous system stimulant
norpseudoephedrine	[no description available]	low	0	0	amphetamines; phenethylamine alkaloid	central nervous system stimulant; plant metabolite; psychotropic drug
cocaine hydrochloride	[no description available]	low	0	0	hydrochloride	central nervous system stimulant; local anaesthetic
almitrine dimesylate	[no description available]	low	0	0	methanesulfonate salt	central nervous system stimulant
armodafinil	[no description available]	low	0	0	2-[(diphenylmethyl)sulfinyl]acetamide	central nervous system stimulant; eugeroic
chlordan	[no description available]	low	0	0	cyclodiene organochlorine insecticide	GABA-gated chloride channel antagonist; persistent organic pollutant
n-methyl-3,4-methylenedioxyamphetamine	[no description available]	low	0	0	amphetamines; benzodioxoles	neurotoxin
acrylamide	[no description available]	low	0	0	acrylamides; N-acylammonia; primary carboxamide	alkylating agent; carcinogenic agent; Maillard reaction product; mutagen; neurotoxin
diethyl phthalate	[no description available]	low	0	0	diester; ethyl ester; phthalate ester	neurotoxin; plasticiser; teratogenic agent
pseudocumene	[no description available]	low	0	0	trimethylbenzene	neurotoxin
3-dinitrobenzene	[no description available]	low	0	0	dinitrobenzene	neurotoxin
1-bromopropane	[no description available]	low	0	0	bromoalkane; bromohydrocarbon	neurotoxin; solvent
allyl cyanide	[no description available]	low	0	0	aliphatic nitrile; olefinic compound	antifeedant; neurotoxin; plant metabolite
2,5-hexanedione	[no description available]	low	0	0	diketone; methyl ketone	human xenobiotic metabolite; neurotoxin
n-hexane	[no description available]	low	0	0	alkane; volatile organic compound	neurotoxin; non-polar solvent
1,4-butanediol	[no description available]	low	0	0	butanediol; glycol	neurotoxin; prodrug; protic solvent
4-hydroxybutyric acid	[no description available]	low	0	0	4-hydroxy monocarboxylic acid; hydroxybutyric acid	general anaesthetic; GHB receptor agonist; neurotoxin; sedative
hemimellitene	[no description available]	low	0	0	trimethylbenzene	neurotoxin; plant metabolite
thallium acetate	[no description available]	low	0	0	acetate salt; thallium molecular entity	apoptosis inducer; neurotoxin
decabromobiphenyl ether	[no description available]	low	0	0	polybromodiphenyl ether	neurotoxin
n-butylbenzenesulfonamide	[no description available]	low	0	0	sulfonamide	neurotoxin; plant metabolite
mercury	[no description available]	low	0	0	elemental mercury; zinc group element atom	neurotoxin
lead chromate	[no description available]	low	0	0	chromium coordination entity; lead coordination entity	carcinogenic agent; nephrotoxin; neurotoxin
edifenphos	[no description available]	low	0	0	organic thiophosphate	antifungal agrochemical; EC 3.1.1.7 (acetylcholinesterase) inhibitor; neurotoxin; phospholipid biosynthesis inhibitor
2-methyl-6,7-dihydroxy-1,2,3,4-tetrahydroisoquinoline	[no description available]	low	0	0	isoquinolinol; tertiary amino compound	human metabolite; neurotoxin; rat metabolite
vx	[no description available]	low	0	0	organic thiophosphate; tertiary amino compound	EC 3.1.1.7 (acetylcholinesterase) inhibitor; neurotoxin
oltipraz	[no description available]	low	0	0	1,2-dithiole; pyrazines	angiogenesis modulating agent; antimutagen; antineoplastic agent; antioxidant; EC 3.1.3.48 (protein-tyrosine-phosphatase) inhibitor; neurotoxin; protective agent; schistosomicide drug
2-hydroxyamino-1-methyl-6-phenylimidazo(4,5-b)pyridine	[no description available]	low	0	0	hydroxylamine; imidazopyridine	carcinogenic agent; genotoxin; human xenobiotic metabolite; mouse metabolite; mutagen; neurotoxin; rat metabolite
beta-n-methylamino-l-alanine	[no description available]	low	0	0	diamino acid; L-alanine derivative; non-proteinogenic L-alpha-amino acid; secondary amino compound	bacterial metabolite; neurotoxin
acromelic acid a	[no description available]	low	0	0	pyridone; pyrrolidinecarboxylic acid; tricarboxylic acid	fungal metabolite; neurotoxin; NMDA receptor agonist
3,4-dihydroxyphenylglycolaldehyde	[no description available]	low	0	0	catechols; hydroxyaldehyde	human metabolite; mouse metabolite; neurotoxin
aminochrome 1	[no description available]	low	0	0	indoledione; orthoquinones	neurotoxin
t-2 toxin	[no description available]	low	0	0	acetate ester; organic heterotetracyclic compound; trichothecene	apoptosis inducer; cardiotoxic agent; DNA synthesis inhibitor; environmental contaminant; fungal metabolite; mycotoxin; neurotoxin
resiniferatoxin	[no description available]	low	0	0	carboxylic ester; diterpenoid; enone; monomethoxybenzene; organic heteropentacyclic compound; ortho ester; phenols; tertiary alpha-hydroxy ketone	analgesic; neurotoxin; plant metabolite; TRPV1 agonist
dysiherbaine	[no description available]	low	0	0	amino dicarboxylic acid; furopyran; hydroxy carboxylic acid; secondary amino compound	animal metabolite; excitatory amino acid agonist; marine metabolite; neurotoxin
decarbamylsaxitoxin	[no description available]	low	0	0	alkaloid; guanidines; ketone hydrate; paralytic shellfish toxin; primary alcohol; pyrrolopurine	bacterial metabolite; marine metabolite; neurotoxin; toxin; xenobiotic
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
heliamine	[no description available]	low	0	0	aromatic ether; diether; isoquinoline alkaloid; isoquinolines	plant metabolite
laurotetanine	[no description available]	low	0	0	isoquinoline alkaloid
tubulosine	[no description available]	low	0	0	beta-carbolines; isoquinoline alkaloid; isoquinolines; phenols; secondary amino compound; tertiary amino compound
oxoglaucine	[no description available]	low	0	0	isoquinoline alkaloid
ecteinascidin 743	[no description available]	low	0	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
roemerine	[no description available]	low	0	0	isoquinoline alkaloid
pronuciferine	[no description available]	low	0	0	aromatic ether; cyclic ketone; isoquinoline alkaloid; isoquinolines; organic heterotetracyclic compound	plant metabolite
(R)-Roemerine	[no description available]	low	0	0	isoquinoline alkaloid
oxopurpureine	[no description available]	low	0	0	isoquinoline alkaloid
amantadine hydrochloride	[no description available]	low	0	0	isoquinoline alkaloid
pancracine	[no description available]	low	0	0	isoquinoline alkaloid fundamental parent; isoquinoline alkaloid
dioncophylline a	[no description available]	low	0	0	biaryl; isoquinoline alkaloid; isoquinolines; methoxynaphthalene; methylnaphthalenes; naphthalenes	antifungal agent; antimalarial; metabolite; molluscicide
dioncophylline c	[no description available]	low	0	0	aromatic ether; biaryl; isoquinoline alkaloid; isoquinolines; methoxynaphthalene; methylnaphthalenes; naphthols	antimalarial; antiplasmodial drug; metabolite
6-codeinone	[no description available]	low	0	0	isoquinoline alkaloid
hasubanan	[no description available]	low	0	0	isoquinoline alkaloid fundamental parent; isoquinoline alkaloid
ancistroealaine a	[no description available]	low	0	0	aromatic ether; biaryl; isoquinoline alkaloid; isoquinolines; methoxynaphthalene; methylnaphthalenes	antileishmanial agent; antiplasmodial drug; metabolite; trypanocidal drug
5-aminoisoquinolinone	[no description available]	low	0	0	isoquinolines
debrisoquin	[no description available]	low	0	0	carboxamidine; isoquinolines	adrenergic agent; antihypertensive agent; human metabolite; sympatholytic agent
ethaverine	[no description available]	low	0	0	isoquinolines
N-[2-(4-bromocinnamylamino)ethyl]isoquinoline-5-sulfonamide	[no description available]	low	0	0	bromobenzenes; isoquinolines; olefinic compound; secondary amino compound; sulfonamide	EC 2.7.11.11 (cAMP-dependent protein kinase) inhibitor
ha 1004	[no description available]	low	0	0	isoquinolines
fasudil	[no description available]	low	0	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
hydrocotarnine	[no description available]	low	0	0	isoquinolines
nomifensine	[no description available]	low	0	0	isoquinolines	dopamine uptake inhibitor
scriptaid	[no description available]	low	0	0	isoquinolines
tilisolol	[no description available]	low	0	0	isoquinolines
cotarnine	[no description available]	low	0	0	isoquinolines
1,2,3,4-tetrahydroisoquinoline	[no description available]	low	0	0	isoquinolines
isoquinoline	[no description available]	low	0	0	azaarene; isoquinolines; mancude organic heterobicyclic parent; ortho-fused heteroarene
isocarbostyril	[no description available]	low	0	0	isoquinolines
salsolidine	[no description available]	low	0	0	isoquinolines
1-methylisoquinoline	[no description available]	low	0	0	isoquinolines
1,2-dehydrosalsolinol	[no description available]	low	0	0	isoquinolines
dehydroemetine	[no description available]	low	0	0	aromatic ether; isoquinolines; pyridoisoquinoline	antileishmanial agent; antimalarial; antiprotozoal drug
metocurine	[no description available]	low	0	0	isoquinolines
thalicarpine	[no description available]	low	0	0	bisbenzylisoquinoline alkaloid; isoquinolines
dimoxyline	[no description available]	low	0	0	isoquinolines
6,7-Dimethoxy-1-methyl-3,4-dihydroisoquinoline	[no description available]	low	0	0	isoquinolines
coralyne	[no description available]	low	0	0	isoquinolines
(3R)-6,7-dimethoxy-3-[(5R)-4-methoxy-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl]-3H-isobenzofuran-1-one	[no description available]	low	0	0	isoquinolines
salsoline	[no description available]	low	0	0	isoquinolines
isosalsoline	[no description available]	low	0	0	isoquinolines
amonafide	[no description available]	low	0	0	isoquinolines
daurisoline	[no description available]	low	0	0	isoquinolines
magnocurarine	[no description available]	low	0	0	isoquinolines
quinapril	[no description available]	low	0	0	dicarboxylic acid monoester; ethyl ester; isoquinolines; tertiary carboxamide	antihypertensive agent; EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor; prodrug
tretoquinol	[no description available]	low	0	0	isoquinolines
moxaverine	[no description available]	low	0	0	isoquinolines
tritoqualine	[no description available]	low	0	0	isoquinolines
dauricine	[no description available]	low	0	0	aromatic ether; bisbenzylisoquinoline alkaloid; isoquinolines; phenols; tertiary amino compound	plant metabolite
cherylline	[no description available]	low	0	0	isoquinolines
gliquidone	[no description available]	low	0	0	isoquinolines
1-methyl-1,2,3,4-tetrahydroisoquinoline	[no description available]	low	0	0	isoquinolines
laudanosoline	[no description available]	low	0	0	isoquinolines
papaveraldine	[no description available]	low	0	0	isoquinolines
4-hydroxydebrisoquin	[no description available]	low	0	0	carboxamidine; isoquinolines; secondary alcohol	metabolite
quinaprilat	[no description available]	low	0	0	dicarboxylic acid; isoquinolines; tertiary carboxamide	antihypertensive agent; EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor; vasodilator agent
cycleanine	[no description available]	low	0	0	bisbenzylisoquinoline alkaloid; isoquinolines
dihydrotetrabenazine	[no description available]	low	0	0	isoquinolines
7,8-dichloro-1,2,3,4-tetrahydroisoquinoline	[no description available]	low	0	0	isoquinolines; organochlorine compound
1,2-dimethyl-6,7-dihydroxy-1,2,3,4-tetrahydroisoquinoline	[no description available]	low	0	0	isoquinolines
cki 7	[no description available]	low	0	0	isoquinolines; organochlorine compound; primary amino compound; sulfonamide	EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor
pixantrone	[no description available]	low	0	0	isoquinolines
isodibut	[no description available]	low	0	0	isoquinolines
3,4-dihydro-5-methyl-1(2h)-isoquinolinone	[no description available]	low	0	0	isoquinolines
solifenacin	[no description available]	low	0	0	isoquinolines
liensinine	[no description available]	low	0	0	isoquinolines
trilobine	[no description available]	low	0	0	isoquinolines
corynoline	[no description available]	low	0	0	benzophenanthridine alkaloid; cyclic acetal; isoquinolines; organic heterohexacyclic compound; secondary alcohol	antineoplastic agent; EC 3.1.1.7 (acetylcholinesterase) inhibitor; hepatoprotective agent; metabolite
minalrestat	[no description available]	low	0	0	isoquinolines
5,6-dimethyl-2-(4-fluorophenylamino)-4-(1-methyl-1,2,3,4-tetrahydroisoquinolin-2-yl)pyrimidine	[no description available]	low	0	0	isoquinolines
solifenacin succinate	[no description available]	low	0	0	isoquinolines
berbamine	[no description available]	low	0	0	bisbenzylisoquinoline alkaloid; isoquinolines
2-(2-oxolanylmethyl)benzo[de]isoquinoline-1,3-dione	[no description available]	low	0	0	isoquinolines
guatteguamerine	[no description available]	low	0	0	bisbenzylisoquinoline alkaloid; isoquinolines
korupensamine-b	[no description available]	low	0	0	isoquinolines; naphthalenes
obamegine	[no description available]	low	0	0	bisbenzylisoquinoline alkaloid; isoquinolines
hydrastine hydrochloride, (s-(r,s))-isomer	[no description available]	low	0	0	isoquinolines
narcotoline	[no description available]	low	0	0	isoquinolines
oxyacanthine	[no description available]	low	0	0	bisbenzylisoquinoline alkaloid; isoquinolines; macrocycle; phenols; tertiary amino compound
floxacillin	[no description available]	low	0	0	isoquinolines
h 1152	[no description available]	low	0	0	isoquinolines; N-sulfonyldiazepane	EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor
9,10-dimethoxy-2,4,6,7-tetrahydro-[1,3]oxazino[4,3-a]isoquinoline-1-carbonitrile	[no description available]	low	0	0	isoquinolines
6,7-dimethoxy-N-(4-methylphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-2-carboxamide	[no description available]	low	0	0	isoquinolines
5-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(2-furanyl)-4-oxazolecarbonitrile	[no description available]	low	0	0	isoquinolines
1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-phenyl-1-butanone	[no description available]	low	0	0	isoquinolines
methyl isoquinoline-3-carboxylate	[no description available]	low	0	0	isoquinolines
1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(2-fluorophenoxy)ethanone	[no description available]	low	0	0	isoquinolines
1-spiro[2,4-dihydroisoquinoline-3,1'-cyclohexane]thione	[no description available]	low	0	0	isoquinolines
N-(4-methoxyphenyl)-3,4-dihydro-1H-isoquinoline-2-carbothioamide	[no description available]	low	0	0	isoquinolines
N-(4-fluorophenyl)-3,4-dihydro-1H-isoquinoline-2-carboxamide	[no description available]	low	0	0	isoquinolines
3-amino-2-(4-methoxyphenyl)-7-nitro-1-oxo-4-isoquinolinecarbonitrile	[no description available]	low	0	0	isoquinolines
4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-N-(2,6-dimethylphenyl)benzamide	[no description available]	low	0	0	isoquinolines
LSM-16526	[no description available]	low	0	0	isoquinolines
drotaverin	[no description available]	low	0	0	isoquinolines
5,5-diethyl-1-[oxo(1-piperidinyl)methyl]-6H-pyrrolo[2,1-a]isoquinoline-2,3-dione	[no description available]	low	0	0	isoquinolines
N-(4-fluorophenyl)-2-(5-methoxy-1-oxo-2-isoquinolinyl)acetamide	[no description available]	low	0	0	isoquinolines
2-[[1-oxo-2-[2-oxo-2-(1-piperidinyl)ethyl]-5-isoquinolinyl]oxy]acetic acid ethyl ester	[no description available]	low	0	0	isoquinolines
2-[[2-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-1-oxo-5-isoquinolinyl]oxy]acetic acid ethyl ester	[no description available]	low	0	0	isoquinolines
5-[[2-[(3-methylphenyl)methyl]-1-oxo-3,4-dihydroisoquinolin-5-yl]oxymethyl]-2-furancarboxylic acid methyl ester	[no description available]	low	0	0	isoquinolines
5-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethoxy]-2-[(3-methylphenyl)methyl]-3,4-dihydroisoquinolin-1-one	[no description available]	low	0	0	isoquinolines
4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-N-[4-(1-pyrrolidinylsulfonyl)phenyl]benzamide	[no description available]	low	0	0	isoquinolines
4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-N-[4-(1-piperidinylsulfonyl)phenyl]benzamide	[no description available]	low	0	0	isoquinolines
1-(5-isoquinolinyl)-3-(2-phenylethyl)thiourea	[no description available]	low	0	0	isoquinolines
1-(4-ethoxyphenyl)-3-(5-isoquinolinyl)thiourea	[no description available]	low	0	0	isoquinolines
4-[[5-(difluoromethylthio)-4-methyl-1,2,4-triazol-3-yl]methoxy]-5-methylisoquinoline	[no description available]	low	0	0	isoquinolines
2-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]thio]-3-ethyl-5,6-dimethyl-4-thieno[2,3-d]pyrimidinone	[no description available]	low	0	0	isoquinolines
N-[6-amino-2,4-dioxo-1-(phenylmethyl)-5-pyrimidinyl]-2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(2-methoxyethyl)acetamide	[no description available]	low	0	0	isoquinolines
2-(Methylamino)-2,3-dihydro-1H-benzo[de]isoquinoline-1,3-dione	[no description available]	low	0	0	isoquinolines
3-[3-(1,3-dioxo-2-benzo[de]isoquinolinyl)propylthio]propanoic acid	[no description available]	low	0	0	isoquinolines
4-(1,3-dioxo-2-benzo[de]isoquinolinyl)-N-(1,1-dioxo-3-thiolanyl)butanamide	[no description available]	low	0	0	isoquinolines
2-[4-(3,4-dihydro-1H-isoquinolin-2-yl)-4-oxobutyl]benzo[de]isoquinoline-1,3-dione	[no description available]	low	0	0	isoquinolines
4-bromobenzenesulfonic acid (1,3-dioxo-2-benzo[de]isoquinolinyl) ester	[no description available]	low	0	0	isoquinolines
2-(3-hydroxyphenyl)-6-(1-piperidinyl)benzo[de]isoquinoline-1,3-dione	[no description available]	low	0	0	isoquinolines
2-[3-(1H-1,2,4-triazol-5-ylthio)propyl]benzo[de]isoquinoline-1,3-dione	[no description available]	low	0	0	isoquinolines
2-[2-[4-[2-hydroxy-3-(2-methylphenoxy)propyl]-1-piperazinyl]ethyl]benzo[de]isoquinoline-1,3-dione	[no description available]	low	0	0	isoquinolines
2-benzoyl-N-(6-methoxy-3-pyridinyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide	[no description available]	low	0	0	isoquinolines
mcn 5652	[no description available]	low	0	0	isoquinolines
3-(3,4-dimethoxyphenyl)-6,7-dimethoxy-2-methyl-N-(6-methyl-2-pyridinyl)-1-oxo-3,4-dihydroisoquinoline-4-carboxamide	[no description available]	low	0	0	isoquinolines
4-[(4-cyclohexyl-1-piperazinyl)-oxomethyl]-2-ethyl-6,7-dimethoxy-1-isoquinolinone	[no description available]	low	0	0	isoquinolines
1-[[1-(2-methoxyanilino)-4-isoquinolinyl]-oxomethyl]-4-piperidinecarboxamide	[no description available]	low	0	0	isoquinolines
3,4-dihydro-1H-isoquinolin-2-yl-(1-ethylsulfonyl-4-piperidinyl)methanone	[no description available]	low	0	0	isoquinolines
1-cyclopentyl-N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-5-oxo-3-pyrrolidinecarboxamide	[no description available]	low	0	0	isoquinolines
3-(3,4-dimethoxyphenyl)-2-methyl-N-[2-(4-morpholinyl)ethyl]-1-oxo-3,4-dihydroisoquinoline-4-carboxamide	[no description available]	low	0	0	isoquinolines
1-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-3-(4-ethylphenyl)urea	[no description available]	low	0	0	isoquinolines
6,7-dimethoxy-N-[(5-methyl-2-furanyl)methyl]-2-(2-methylpropyl)-1-oxo-4-isoquinolinecarboxamide	[no description available]	low	0	0	isoquinolines
4-[[4-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-7-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl]methyl]morpholine	[no description available]	low	0	0	isoquinolines
5-[3,4-dihydro-1H-isoquinolin-2-yl(phenyl)methyl]-6-thiazolo[3,2-b][1,2,4]triazolol	[no description available]	low	0	0	isoquinolines
4-chloro-N-[1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methylpropan-2-yl]benzenesulfonamide	[no description available]	low	0	0	isoquinolines
5-[2-[3-(4-fluorophenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethoxy]-2-(phenylmethyl)-3,4-dihydroisoquinolin-1-one	[no description available]	low	0	0	isoquinolines
2-[[2-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]-1-oxo-5-isoquinolinyl]oxy]propanoic acid ethyl ester	[no description available]	low	0	0	isoquinolines
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(4-fluorophenyl)-2-(2-methoxyethyl)-1-oxo-3,4-dihydroisoquinoline-4-carboxamide	[no description available]	low	0	0	isoquinolines
2-[[2-[2-(4-methoxyanilino)-2-oxoethyl]-1-oxo-5-isoquinolinyl]oxy]propanoic acid ethyl ester	[no description available]	low	0	0	isoquinolines
2-(4-chlorophenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylic acid	[no description available]	low	0	0	isoquinolines
4-phenyl-1,2,3,4-tetrahydroisoquinoline	[no description available]	low	0	0	isoquinolines
6,7-dimethoxy-N-phenyl-3,4-dihydro-1H-isoquinoline-2-carboxamide	[no description available]	low	0	0	isoquinolines
8-nitro-5-[3-(trifluoromethyl)-1-piperidinyl]isoquinoline	[no description available]	low	0	0	isoquinolines
2-(3-methyl-1-oxo-2-isoquinolinyl)-N-(3,4,5-trimethoxyphenyl)acetamide	[no description available]	low	0	0	isoquinolines
8-hydroxymanzamine a	[no description available]	low	0	0	alkaloid; beta-carbolines; isoquinolines	anti-HSV-2 agent; EC 2.7.11.26 (tau-protein kinase) inhibitor; metabolite
isoliensinine	[no description available]	low	0	0	isoquinolines
mivacurium	[no description available]	low	0	0	isoquinolines
bw b1090u	[no description available]	low	0	0	isoquinolines
3,4-dihydro-1H-isoquinolin-2-yl-(4-ethyl-5-thieno[3,2-b]pyrrolyl)methanone	[no description available]	low	0	0	isoquinolines
papaveroline	[no description available]	low	0	0	isoquinolines
manzamine a	[no description available]	low	0	0	alkaloid; beta-carbolines; isoquinolines	animal metabolite; anti-HSV-1 agent; antimalarial; antineoplastic agent; EC 2.7.11.26 (tau-protein kinase) inhibitor; marine metabolite
2-(2-phenylethyl)benzo[de]isoquinoline-1,3-dione	[no description available]	low	0	0	isoquinolines
ripasudil	[no description available]	low	0	0	isoquinolines
SIS3 free base	[no description available]	low	0	0	aromatic ether; enamide; isoquinolines; monocarboxylic acid amide; pyrrolopyridine; tertiary carboxamide	Smad3 inhibitor
fg-4592	[no description available]	low	0	0	aromatic ether; isoquinolines; N-acylglycine	EC 1.14.11.2 (procollagen-proline dioxygenase) inhibitor; EC 1.14.11.29 (hypoxia-inducible factor-proline dioxygenase) inhibitor
sar 1118	[no description available]	low	0	0	1-benzofurans; isoquinolines; L-phenylalanine derivative; N-acyl-L-alpha-amino acid; sulfone	anti-inflammatory drug; lymphocyte function-associated antigen-1 antagonist
4-(4-chlorophenyl)sulfonyl-5-(3,4-dihydro-1H-isoquinolin-2-yl)-2-ethylsulfonylthiazole	[no description available]	low	0	0	isoquinolines
bebeerine	[no description available]	low	0	0	bisbenzylisoquinoline alkaloid; isoquinolines
(1S)-1-[(3-hydroxy-4-methoxyphenyl)methyl]-6-methoxy-2-methyl-2-oxido-3,4-dihydro-1H-isoquinolin-2-ium-7-ol	[no description available]	low	0	0	isoquinolines; tertiary amine oxide
dihydrotetrabenazine, (2alpha,3beta,11bbeta)-isomer	[no description available]	low	0	0	isoquinolines
jorunnamycin a	[no description available]	low	0	0	isoquinolines
1-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-3-(4-nitrophenyl)urea	[no description available]	low	0	0	isoquinolines
2-(1,3-benzodioxol-5-ylmethyl)-6,7-dimethoxy-1-methyl-3,4-dihydro-1H-isoquinoline	[no description available]	low	0	0	isoquinolines
N-(3-nitrophenyl)-3,4-dihydro-1H-isoquinoline-2-carboxamide	[no description available]	low	0	0	isoquinolines
2-(5-butoxy-1-oxo-2-isoquinolinyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide	[no description available]	low	0	0	isoquinolines
ipi-145	[no description available]	low	0	0	isoquinolines
nbi 31772	[no description available]	low	0	0	aromatic ketone; benzenediols; hydroxy monocarboxylic acid; isoquinolines; tetrol	insulin-like growth factor-binding protein inhibitor
reticulin	[no description available]	low	0	0	benzylisoquinoline alkaloid; benzyltetrahydroisoquinoline; isoquinolinol	plant metabolite
tetrahydropapaveroline	[no description available]	low	0	0	benzylisoquinoline alkaloid; benzyltetrahydroisoquinoline; isoquinolinol	human metabolite
laudanine	[no description available]	low	0	0	aromatic ether; benzylisoquinoline alkaloid; benzyltetrahydroisoquinoline; phenols; racemate

Article	Year
Inhibition of GABAA receptors in intestinal stem cells prevents chemoradiotherapy-induced intestinal toxicity. The Journal of experimental medicine, 12-05, Volume: 219, Issue: 12	2022
Delayed application of the anesthetic propofol contrasts the neurotoxic effects of kainate on rat organotypic spinal slice cultures. Neurotoxicology, Volume: 54	2016
Effect of GABA, a bacterial metabolite, on Pseudomonas fluorescens surface properties and cytotoxicity. International journal of molecular sciences, Jun-06, Volume: 14, Issue: 6	2013
NMDA receptor-mediated excitotoxicity depends on the coactivation of synaptic and extrasynaptic receptors. Cell death & disease, Mar-28, Volume: 4	2013
Protective role of taurine against morphine-induced neurotoxicity in C6 cells via inhibition of oxidative stress. Neurotoxicity research, Volume: 20, Issue: 4	2011
Riluzole is a potent drug to protect neonatal rat hypoglossal motoneurons in vitro from excitotoxicity due to glutamate uptake block. The European journal of neuroscience, Volume: 33, Issue: 5	2011
Preconditioning with 4-aminopyridine protects cerebellar granule neurons against excitotoxicity. Brain research, Oct-19, Volume: 1294	2009
Activation of the GABA(A) receptor ameliorates the cochlear excitotoxicity caused by kainic acid in the guinea pig. The Tohoku journal of experimental medicine, Volume: 215, Issue: 3	2008
Chloride-dependent acute excitotoxicity in adult rat retinal ganglion cells. Neuropharmacology, Volume: 55, Issue: 5	2008
Lacosamide, a novel anti-convulsant drug, shows efficacy with a wide safety margin in rodent models for epilepsy. Epilepsy research, Volume: 74, Issue: 2-3	2007
Quantification of zinc toxicity using neuronal networks on microelectrode arrays. Neurotoxicology, Volume: 28, Issue: 3	2007
Quinolinic acid toxicity on orexin neurons blocked by gamma aminobutyric acid type A receptor stimulation. Neuroreport, Aug-01, Volume: 16, Issue: 11	2005
Effect of thiopental, propofol, and etomidate on vincristine toxicity in PC12 cells. Cell biology and toxicology, Volume: 18, Issue: 1	2002
Selective cytostatic and neurotoxic effects of avermectins and activation of the GABAalpha receptors. Bioscience reports, Volume: 19, Issue: 6	1999
GABA(A)-mediated toxicity of hippocampal neurons in vitro. Journal of neurochemistry, Volume: 74, Issue: 6	2000
Taurine-induced attenuation of MPP+ neurotoxicity in vitro: a possible role for the GABA(A) subclass of GABA receptors. Journal of neurochemistry, Volume: 74, Issue: 5	2000
Induction of neurosteroid synthesis by NMDA receptors in isolated rat retina: a potential early event in excitotoxicity. The European journal of neuroscience, Volume: 10, Issue: 5	1998
Inhibitory neuronal activity can compensate for adverse effects of beta-amyloid in hippocampal neurons. Brain research, Mar-09, Volume: 786, Issue: 1-2	1998
[The effect of 3-mercaptopropionic acid on the toxicity of GABA-lytics for mice]. Biulleten' eksperimental'noi biologii i meditsiny, Volume: 116, Issue: 11	1993
[The effect of triorthocresyl phosphate on the toxicity of GABA-lytics for mice]. Biulleten' eksperimental'noi biologii i meditsiny, Volume: 116, Issue: 10	1993
[Effect of preliminary administration of phenobarbital on the toxicity of GABA-lytics in mice]. Biulleten' eksperimental'noi biologii i meditsiny, Volume: 115, Issue: 5	1993
Comparative anticonvulsant activity and neurotoxicity of 4-amino-N-(2,6-dimethylphenyl)phthalimide and prototype antiepileptic drugs in mice and rats. Epilepsia, Volume: 36, Issue: 6	1995
Primidone, phenobarbital, and PEMA: I. Seizure protection, neurotoxicity, and therapeutic index of individual compounds in mice. Neurology, Volume: 33, Issue: 3	1983
[information is derived through text-mining from research data collected from National Library of Medicine (NLM), extracted Dec-2023]

Article	Year
The bee venom active compound melittin protects against bicuculline-induced seizures and hippocampal astrocyte activation in rats. Neuropeptides, Volume: 91	2022
Decrease of inhibitory synaptic currents of locus coeruleus neurons via orexin type 1 receptors in the context of naloxone-induced morphine withdrawal. The journal of physiological sciences : JPS, Volume: 69, Issue: 2	2019
Chronic GABAergic blockade in the spinal cord in vivo induces motor alterations and neurodegeneration. Neuropharmacology, 05-01, Volume: 117	2017
Reversal of morphine analgesic tolerance by ethanol in the mouse. The Journal of pharmacology and experimental therapeutics, Volume: 345, Issue: 3	2013
Reduced expression of glutamate receptors and phosphorylation of CREB are responsible for in vivo Delta9-THC exposure-impaired hippocampal synaptic plasticity. Journal of neurochemistry, Volume: 112, Issue: 3	2010
Chronic administration of dehydroepiandrosterone sulfate (DHEAS) primes for facilitated induction of long-term potentiation via sigma 1 (sigma1) receptor: optical imaging study in rat hippocampal slices. Neuropharmacology, Volume: 50, Issue: 3	2006
Anticonvulsant and antiepileptogenic effects of GABAA receptor ligands in pentylenetetrazole-kindled mice. Progress in neuro-psychopharmacology & biological psychiatry, Volume: 28, Issue: 1	2004
Abecarnil, a beta-carboline derivative, does not exhibit anticonvulsant tolerance or withdrawal effects in mice. Naunyn-Schmiedeberg's archives of pharmacology, Volume: 354, Issue: 5	1996
Lack of anticonvulsant tolerance and benzodiazepine receptor down regulation with imidazenil in rats. British journal of pharmacology, Volume: 117, Issue: 4	1996
Development of tolerance to amnesic effects of chlordiazepoxide in relation to GABAergic and cholinergic neuronal systems. European journal of pharmacology, Jan-19, Volume: 230, Issue: 3	1993
A comparison of the analgesic activities of 4,5,6,7-tetrahydroisoxazolo[5,4-c]pyridin-3-ol (THIP) and 6-chloro-2[1-piperazinyl]pyrazine (MK 212). European journal of pharmacology, Jun-03, Volume: 90, Issue: 2-3	1983
Changes in GABAergic system parameters after chronic administration of bicuculline. General pharmacology, Volume: 16, Issue: 6	1985
Subsensitivity to muscimol-induced catalepsy after long-term administration of phenytoin in rats. Psychopharmacology, Volume: 86, Issue: 1-2	1985
Consequences of chronic phenobarbital blockade of spontaneous motility in chick embryos for the development of central motor output activity. Physiologia Bohemoslovaca, Volume: 37, Issue: 2	1988
Changes in the development of spontaneous motility in chick embryos after the chronic administration of GABA. Physiologia Bohemoslovaca, Volume: 37, Issue: 4	1988
Continuously infused 2-amino-7-phosphonoheptanoic acid antagonizes N-methyl-D-aspartate-induced elevations of cyclic GMP in vivo in multiple brain areas and chemically-induced seizure activity. Neuropharmacology, Volume: 25, Issue: 8	1986
Effects of the acute and chronic administration of chlordiazepoxide on the development of spontaneous motility in chick embryos. Physiologia Bohemoslovaca, Volume: 38, Issue: 3	1989
Chronic dihydropyridine treatment can reverse the behavioural consequences of and prevent adaptations to, chronic ethanol treatment. British journal of pharmacology, Volume: 103, Issue: 3	1991
Anxiolytic activity of steroid anesthetic alphaxalone. The Journal of pharmacology and experimental therapeutics, Jul-01, Volume: 258, Issue: 1	1991
Chronic administration of beta-carboline-3-carboxylic acid methylamide by continuous intraventricular infusion increases GABAergic function. Neuropharmacology, Volume: 30, Issue: 3	1991
[information is derived through text-mining from research data collected from National Library of Medicine (NLM), extracted Dec-2023]

Article	Year
Determination of bicuculline in rat plasma by liquid chromatography mass spectrometry and its application in a pharmacokinetic study. Journal of chromatography. B, Analytical technologies in the biomedical and life sciences, Mar-15, Volume: 953-954	2014
Disinhibition of RVLM neural circuits and regulation of sympathetic nerve discharge at peak hyperthermia. Journal of applied physiology (Bethesda, Md. : 1985), Nov-01, Volume: 115, Issue: 9	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
Long-lasting intrinsic optical changes observed in the neurointermediate lobe of the mouse pituitary reflect volume changes in cells of the pars intermedia. Neuroendocrinology, Volume: 92, Issue: 3	2010
Melatonin increases bladder capacity via GABAergic system and decreases urine volume in rats. The Journal of urology, Volume: 184, Issue: 1	2010
GABA in the central amygdaloid nucleus modulates the electrolyte excretion and hormonal responses to blood volume expansion in rats. Brazilian journal of medical and biological research = Revista brasileira de pesquisas medicas e biologicas, Volume: 42, Issue: 1	2009
Roles of volume-sensitive chloride channel in excitotoxic neuronal injury. The Journal of neuroscience : the official journal of the Society for Neuroscience, Feb-07, Volume: 27, Issue: 6	2007
GABA(A) and GABA(B) receptors differentially modulate volume and frequency in ventilatory compensation in obese Zucker rats. Journal of applied physiology (Bethesda, Md. : 1985), Volume: 102, Issue: 1	2007
Temporal dependence in uncoupling of blood volume and oxygenation during interictal epileptiform events in rat neocortex. The Journal of neuroscience : the official journal of the Society for Neuroscience, Jan-05, Volume: 25, Issue: 1	2005
GABAergic modulation of ventilation and peak oxygen consumption in obese Zucker rats. Journal of applied physiology (Bethesda, Md. : 1985), Volume: 90, Issue: 5	2001
The pharmacodynamics of anticonvulsant and subconvulsant effects of ethanol in CBA and C57BL/6 mice. Alcohol (Fayetteville, N.Y.), Volume: 23, Issue: 1	2001
Regional brain activation by bicuculline visualized by functional magnetic resonance imaging. Time-resolved assessment of bicuculline-induced changes in local cerebral blood volume using an intravascular contrast agent. NMR in biomedicine, Volume: 13, Issue: 1	2000
[information is derived through text-mining from research data collected from National Library of Medicine (NLM), extracted Dec-2023]

Article	Year
CXCL12 impairs the acquisition and extinction of auditory fear conditioning in rats via crosstalk with GABAergic system. Pharmacology, biochemistry, and behavior, Volume: 148	2016
Effects of agomelatine in a murine model of obsessive-compulsive disorder: interaction with meta-chlorophenylpiperazine, bicuculline, and diazepam. The Kaohsiung journal of medical sciences, Volume: 29, Issue: 7	2013
γ-Hydroxybutyrate (GHB)-induced respiratory depression: combined receptor-transporter inhibition therapy for treatment in GHB overdose. Molecular pharmacology, Volume: 82, Issue: 2	2012
Intracisternal or intrathecal glycine, taurine, or muscimol inhibit bicuculline-induced allodynia and thermal hyperalgesia in mice. Acta pharmacologica Sinica, Volume: 31, Issue: 8	2010
Opioid receptor internalization contributes to dermorphin-mediated antinociception. Neuroscience, Jun-30, Volume: 168, Issue: 2	2010
Effect of sildenafil on neuropathic pain and hemodynamics in rats. Yonsei medical journal, Volume: 51, Issue: 1	2010
Gaboxadol -- a different hypnotic profile with no tolerance to sleep EEG and sedative effects after repeated daily dosing. Pharmacology, biochemistry, and behavior, Volume: 90, Issue: 1	2008
Roles of TRPV1 and neuropeptidergic receptors in dorsal root reflex-mediated neurogenic inflammation induced by intradermal injection of capsaicin. Molecular pain, Oct-25, Volume: 3	2007
Opposing roles for GABAA and GABAC receptors in short-term memory formation in young chicks. Neuroscience, Volume: 131, Issue: 3	2005
A cortical GABA-5HT interaction in the mechanism of action of the antidepressant trazodone. Progress in neuro-psychopharmacology & biological psychiatry, Volume: 28, Issue: 7	2004
Focally injected adenosine prevents seizures in the rat. Experimental neurology, Volume: 190, Issue: 2	2004
Hyperexcitability induced by GABA withdrawal facilitates hippocampal long-term potentiation. Neuroscience, Volume: 126, Issue: 1	2004
Diazepam prophylaxis for bicuculline-induced seizures: a rat dose-response model. Neuroscience letters, Feb-06, Volume: 356, Issue: 1	2004
Differential sensitivity to induction of spreading depression by partial disinhibition in chronically epileptic human and rat as compared to native rat neocortical tissue. Brain research, Jun-13, Volume: 975, Issue: 1-2	2003
Testosterone rapidly reduces anxiety in male house mice (Mus musculus). Hormones and behavior, Volume: 42, Issue: 4	2002
Peripheral GABAergic inhibition of spider mechanosensory afferents. The European journal of neuroscience, Volume: 16, Issue: 1	2002
Taurine selectively modulates the secretory activity of vasopressin neurons in conscious rats. The European journal of neuroscience, Volume: 14, Issue: 7	2001
Characterization of acute neurotoxic effects of trimethylolpropane phosphate via neuronal network biosensors. Biosensors & bioelectronics, Volume: 16, Issue: 7-8	2001
[Inhibition of GABA-activated currents in isolated rat DRG neurons by bradykinin]. Sheng li xue bao : [Acta physiologica Sinica], Volume: 50, Issue: 4	1998
Coadministration of intrathecal strychnine and bicuculline effects synergistic allodynia in the rat: an isobolographic analysis. The Journal of pharmacology and experimental therapeutics, Volume: 296, Issue: 3	2001
GABAergic modulation of descending inhibitory systems from the rostral ventromedial medulla (RVM). Dose-response analysis of nociception and neurological deficits. Pain, Feb-01, Volume: 90, Issue: 1-2	2001
Effects of nifedipine on rhythmic synchronous activity of human neocortical slices. Neuroscience, Volume: 100, Issue: 3	2000
[Effects of L-glutamic acid, gamma-aminobutyric acid and their respective antagonists on spontaneous discharge of nucleus paragigantocellularis lateralis neurons in rats]. Hua xi yi ke da xue xue bao = Journal of West China University of Medical Sciences = Huaxi yike daxue xuebao, Volume: 28, Issue: 1	1997
Propofol anaesthesia in mice is potentiated by muscimol and reversed by bicuculline. British journal of anaesthesia, Volume: 83, Issue: 4	1999
Effect of ethanol upon respiratory-related hypoglossal nerve output of neonatal rat brain stem slices. Journal of neurophysiology, Volume: 83, Issue: 1	2000
Clonidine action in spontaneously hypertensive rats (SHR) depends on the GABAergic system function. Amino acids, Volume: 17, Issue: 2	1999
Purkinje cell inhibitory responses to 3-APPA (3-aminopropylphosphinic acid) in RAT cerebellar slices. Neuroscience research, Volume: 34, Issue: 3	1999
Activation of peripheral GABAA receptors inhibits temporomandibular joint-evoked jaw muscle activity. Journal of neurophysiology, Volume: 81, Issue: 4	1999
Enhancement of GABA-activated current by muscarine in rat dorsal root ganglion neurons. Neuroscience, Volume: 89, Issue: 3	1999
[S]-AR-R 15896AR-A novel anticonvulsant: acute safety, pharmacokinetic and pharmacodynamic properties. The Journal of pharmacology and experimental therapeutics, Volume: 288, Issue: 1	1999
Properties of GABA(A) receptors in cultured rat oligodendrocyte progenitor cells. Neuropharmacology, Volume: 37, Issue: 7	1998
Comparison of the effects of M1 and M2 muscarinic receptor activation in the absence of GABAergic inhibition in immature rat hippocampal CA3 area. Brain research. Developmental brain research, May-15, Volume: 107, Issue: 2	1998
Different GABA-receptor types are involved in the 5-HT-induced antinociception at the spinal level: a behavioral study. Life sciences, Volume: 62, Issue: 11	1998
Is GABA involved in the development of caffeine tolerance? Neurochemical research, Volume: 23, Issue: 1	1998
Inhibition by levetiracetam of a non-GABAA receptor-associated epileptiform effect of bicuculline in rat hippocampus. British journal of pharmacology, Volume: 122, Issue: 6	1997
Kainate receptors presynaptically downregulate GABAergic inhibition in the rat hippocampus. Neuron, Volume: 19, Issue: 4	1997
Gabapentin enhances the antinociceptive effects of spinal morphine in the rat tail-flick test. Pain, Volume: 72, Issue: 3	1997
Functionally distinct chloride-mediated GABA responses in rat cerebellar granule cells cultured in a low-potassium medium. Journal of neurophysiology, Volume: 77, Issue: 1	1997
Antinociceptive actions of intrathecal xylazine: interactions with spinal cord opioid pathways. British journal of anaesthesia, Volume: 76, Issue: 4	1996
Patch-clamp analysis of glycine-induced currents in chick ciliary ganglion neurons. The Journal of physiology, Sep-01, Volume: 487 ( Pt 2)	1995
Heterogeneous characteristics of mitral cells in the rat olfactory bulb. Brain research bulletin, Volume: 31, Issue: 6	1993
GABA responses and their partial occlusion by glycine in cultured rat medullary neurons. Neuroscience, Volume: 52, Issue: 1	1993
Bicuculline-produced regional differences in the modulation of 35S-TBPS binding by GABA, pentobarbital and diazepam in mouse cerebellum and cortex. The Journal of pharmacology and experimental therapeutics, Volume: 264, Issue: 2	1993
Reconstitution of purified GABAA receptors: ligand binding and chloride transporting properties. Biochemistry, Jan-25, Volume: 33, Issue: 3	1994
Allodynia evoked by intrathecal administration of prostaglandin E2 to conscious mice. Pain, Volume: 57, Issue: 2	1994
Repeated treatment with alpidem, a new anxiolytic, does not induce tolerance or physical dependence. Neuropharmacology, Volume: 32, Issue: 9	1993
Interactions between opioid drugs and propofol in laboratory models of seizures. British journal of anaesthesia, Volume: 74, Issue: 3	1995
Comparative anticonvulsant activity and neurotoxicity of 4-amino-N-(2,6-dimethylphenyl)phthalimide and prototype antiepileptic drugs in mice and rats. Epilepsia, Volume: 36, Issue: 6	1995
Central cardiovascular effects of taurine: comparison with homotaurine and muscimol. The Journal of pharmacology and experimental therapeutics, Volume: 219, Issue: 1	1981
SL 75 102 as a gama-aminobutyric acid agonist: experiments on dorsal root ganglion neurones in vitro. British journal of pharmacology, Volume: 72, Issue: 2	1981
[GABA-ergic correlates of aggression and intraspecies sociability of mice subjected to isolation]. Biulleten' eksperimental'noi biologii i meditsiny, Volume: 91, Issue: 5	1981
Anticonvulsant effects of muscimol. Neurology, Volume: 30, Issue: 6	1980
The use of gabaculine-induced accumulation of GABA for an index of synthesis of GABA in the retina. Neuropharmacology, Volume: 21, Issue: 12	1982
Anisatin, a potent GABA antagonist, isolated from Illicium anisatum. Neuroscience letters, Aug-07, Volume: 25, Issue: 1	1981
Antinociceptive and hypothermic effects of trimethyltin. Life sciences, Sep-13, Volume: 31, Issue: 11	1982
gamma-Butyrolactone effects on behavior induced by dopamine agonists. Biological psychiatry, Volume: 18, Issue: 9	1983
Effect of strychnine and of bicuculline on dopamine synthesis in retinas of dark-maintained rats. Brain research, Nov-14, Volume: 278, Issue: 1-2	1983
Self-injurious behavior in rats produced by intranigral microinjection of GABA agonists. Pharmacology, biochemistry, and behavior, Volume: 21, Issue: 1	1984
Intra-raphe muscimol induced hyperactivity depends on ascending serotonin projections. Pharmacology, biochemistry, and behavior, Volume: 17, Issue: 5	1982
Ethylenediamine and GABA potentiation of [3H]diazepam binding to benzodiazepine receptors in rat cerebral cortex. Journal of neurochemistry, Volume: 39, Issue: 5	1982
GABA and bicuculline actions on mouse spinal cord and cortical neurons in cell culture. Brain research, Jul-22, Volume: 244, Issue: 1	1982
GABA and muscimol inhibit the release of prolactin from dispersed rat anterior pituitary cells. Neuroendocrinology, Volume: 32, Issue: 3	1981
[Participation of GABA-ergic structures in producing the effects of haloperidol]. Biulleten' eksperimental'noi biologii i meditsiny, Volume: 89, Issue: 3	1980
The effects of anaesthetics on the uptake and release of amino acid neurotransmitters in thalamic slices. British journal of pharmacology, Volume: 75, Issue: 1	1982
Potentiation of GABAA-receptor-mediated responses by barbiturates in the guinea-pig ileum. European journal of pharmacology, Aug-17, Volume: 103, Issue: 3-4	1984
Studies of the role of gamma-aminobutyric acid in the hypothalamic control of feed intake in sheep. Canadian journal of physiology and pharmacology, Volume: 63, Issue: 10	1985
Effect of GABAergic drugs in the behavioral 'despair' test in rats. European journal of pharmacology, Feb-18, Volume: 121, Issue: 2	1986
Kinetic properties of the pentobarbitone-gated chloride current in frog sensory neurones. The Journal of physiology, Volume: 394	1987
Voltage-clamp studies of the inhibition of gamma-aminobutyric acid response by glucocorticoids in bullfrog primary afferent neurons. Brain research, Dec-01, Volume: 435, Issue: 1-2	1987
Delta-aminovaleric acid antagonizes the pharmacological actions of baclofen in the central nervous system. Experimental brain research, Volume: 70, Issue: 3	1988
Interactions of the imidazodiazepine Ro 15-4513 with chemical convulsants. British journal of pharmacology, Volume: 93, Issue: 1	1988
[Gaba-activated conductance of isolated neurons of rat cerebellum and sensory ganglia]. Neirofiziologiia = Neurophysiology, Volume: 20, Issue: 5	1988
Nociceptive responses to altered GABAergic activity at the spinal cord. Life sciences, Nov-03, Volume: 39, Issue: 18	1986
The in situ perfused spinal cord of the rat. Applicability of drugs and chemicals, sodium-lithium exchange, and calcium reduction to functional intact central nervous system tissue. Journal of pharmacological methods, Volume: 15, Issue: 2	1986
Effect of bicuculline on sexual activity in castrated male rats. Physiology & behavior, Volume: 36, Issue: 2	1986
Modulatory activity of GABAB receptors on cholinergic tone in guinea-pig distal colon. British journal of pharmacology, Volume: 84, Issue: 4	1985
Excitatory and inhibitory action of GABA on synaptic transmission in slices of guinea pig superior colliculus. European journal of pharmacology, Dec-13, Volume: 158, Issue: 3	1988
[Effector modeling of the action of GABA-receptor complex ligands. Functional interactions of subunits of the complex]. Biulleten' eksperimental'noi biologii i meditsiny, Volume: 105, Issue: 5	1988
Bicuculline and picrotoxin block gamma-aminobutyric acid-gated Cl- conductance by different mechanisms. Experientia, Jan-15, Volume: 41, Issue: 1	1985
GABA receptors on the cell-body membrane of an identified insect motor neuron. Proceedings of the Royal Society of London. Series B, Biological sciences, Jan-22, Volume: 232, Issue: 1269	1988
Electrophysiological study of SR 42641, a novel aminopyridazine derivative of GABA: antagonist properties and receptor selectivity of GABAA versus GABAB responses. British journal of pharmacology, Volume: 90, Issue: 2	1987
Effects of gamma-aminobutyric acid on skate retinal horizontal cells: evidence for an electrogenic uptake mechanism. Proceedings of the National Academy of Sciences of the United States of America, Volume: 87, Issue: 22	1990
GABA actions within the caudal cochlear nucleus of developing kittens. Journal of neurophysiology, Volume: 64, Issue: 3	1990
Presynaptic effects of gamma-aminobutyric acid on norepinephrine release and uptake in rat pineal gland. Journal of neural transmission. General section, Volume: 82, Issue: 2	1990
On the mechanism by which midazolam causes spinally mediated analgesia. Anesthesiology, Volume: 73, Issue: 2	1990
GABAB receptor-mediated inhibition of the neurogenic vasopressor response in the pithed rat. British journal of pharmacology, Volume: 100, Issue: 2	1990
[Taurine-activated currents in isolated neurons of the rat cerebellum]. Neirofiziologiia = Neurophysiology, Volume: 22, Issue: 6	1990
Effects of enoxacin and its combination with 4-biphenylacetate, an active metabolite of fenbufen, on population spikes in rat hippocampal slices. Pharmacology & toxicology, Volume: 68, Issue: 3	1991
Secondary generalization in non-kindled rats following acute administration of GABA-complex and adenosine antagonists. Electroencephalography and clinical neurophysiology, Volume: 75, Issue: 5	1990
Electrophysiological studies of the GABAA receptor ligand, 4-PIOL, on cultured hippocampal neurones. British journal of pharmacology, Volume: 104, Issue: 1	1991
Gestational exposure to diazepam increases sensitivity to convulsants that act at the GABA/benzodiazepine receptor complex. European journal of pharmacology, Apr-24, Volume: 196, Issue: 3	1991
Is the anticonvulsant effect of substantia nigra infusion of gamma-vinyl-GABA (GVG) mediated by the GABAA receptor in rat pups? Brain research. Developmental brain research, Mar-18, Volume: 59, Issue: 1	1991
A comparison of gamma-aminobutyric acid and the semi-rigid analogues 4-aminotetrolic acid, 4-aminocrotonic acid and imidazole-4-acetic acid on the isolated superior cervical ganglion of the rat. British journal of pharmacology, Volume: 56, Issue: 3	1976
Reversal of the action of amino acid antagonists by barbiturates and other hypnotic drugs. British journal of pharmacology, Volume: 63, Issue: 1	1978
The effect of experimentally induced focal epilepsy on operant responding in the rat. Epilepsia, Volume: 17, Issue: 2	1976
[information is derived through text-mining from research data collected from National Library of Medicine (NLM), extracted Dec-2023]

bicuculline

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Synonyms (97)

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Ceullar Components (31)

Bioassays (42)

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Article	Year
A High-Throughput Screen of a Library of Therapeutics Identifies Cytotoxic Substrates of P-glycoprotein. Molecular pharmacology, Volume: 96, Issue: 5	2019
Comparative study of taurine and tauropyrone: GABA receptor binding, mitochondrial processes and behaviour. The Journal of pharmacy and pharmacology, Volume: 63, Issue: 2	2011
[information is derived through text-mining from research data collected from National Library of Medicine (NLM), extracted Dec-2023]

Article	Year
[Effect of the antioxidant dibunol and its combination with phenazepam on the behavior of rats in a conflict situation]. Biulleten' eksperimental'noi biologii i meditsiny, Volume: 100, Issue: 7	1985
Effects of enoxacin and its combination with 4-biphenylacetate, an active metabolite of fenbufen, on population spikes in rat hippocampal slices. Pharmacology & toxicology, Volume: 68, Issue: 3	1991
[information is derived through text-mining from research data collected from National Library of Medicine (NLM), extracted Dec-2023]