flunitrazepam profile

Flunitrazepam: A benzodiazepine with pharmacologic actions similar to those of DIAZEPAM that can cause ANTEROGRADE AMNESIA. Some reports indicate that it is used as a date rape drug and suggest that it may precipitate violent behavior. The United States Government has banned the importation of this drug. [Medical Subject Headings (MeSH), National Library of Medicine, extracted Dec-2023]

flunitrazepam : A 1,4-benzodiazepinone that is nitrazepam substituted by a methyl group at position 1 and by a fluoro group at position 2'. It is a potent hypnotic, sedative, and amnestic drug used to treat chronic insomnia. [Chemical Entities of Biological Interest (ChEBI), Hastings J, Owen G, Dekker A, Ennis M, Kale N, Muthukrishnan V, Turner S, Swainston N, Mendes P, Steinbeck C. (2016). ChEBI in 2016: Improved services and an expanding collection of metabolites. Nucleic Acids Res]

Pathways (1)

flunitrazepam is involved in 1 pathway(s), involving a total of 19 unique proteins and 30 unique compounds

ID Source	ID
PubMed CID	3380
CHEMBL ID	13280
CHEBI ID	31622
SCHEMBL ID	44169
MeSH ID	M0008590

Synonym
flunipam
flunitrazepamum
620x0222fq ,
5-24-04-00350 (beilstein handbook reference)
roipnol
silece
unii-620x0222fq
nsc708829
nsc-708829
DIVK1C_000981
KBIO1_000981
5-(2-fluorophenyl)-1-methyl-7-nitro-1,3-dihydro-2h-1,4-benzodiazepin-2-one
rohypnol
narcozep
1,3-dihydro-5-(o-fluorophenyl)-1-methyl-7-nitro-2h-1,4-benzodiazepin-2-one
dea no. 2763
brn 0702691
1-methyl-7-nitro-5-(2-fluorophenyl)-3h-1,4-benzodiazepin-2(1h)-one
primun
hsdb 6960
ccris 5287
flunitrazepam [usan:inn:ban:jan]
einecs 216-597-8
flunitrazepamum [inn-latin]
ro 5-4200
ro-5-4200
flunitrazepam
2h-1,4-benzodiazepin-2-one, 1,3-dihydro-5-(2-fluorophenyl)-1-methyl-7-nitro-
2h-1,4-benzodiazepin-2-one, 5-(2-fluorophenyl)-1,3-dihydro-1-methyl-7-nitro-
ro54200
fluninoc
fluridrazepam
IDI1_000981
5-(2-fluorophenyl)-1-methyl-7-nitro-2,3-dihydro-1h-1,4-benzodiazepin-2-one
[3h]rohypnol
bdbm25878
chembl13280 ,
[3h]flunitrazepam
DB01544
5-(o-fluorophenyl)-1,3-dihydro-1-methyl-7-nitro-2h-1,4-benzodiazepin-2-one
rohypnol (tn)
D01230
flunitrazepam (jp17/usan/inn)
1622-62-4
NINDS_000981
n05cd03
ro-54200
HMS503E03
AKOS005066009
5-(2-fluorophenyl)-1-methyl-7-nitro-3h-1,4-benzodiazepin-2-one
A810363
5-(2-fluorophenyl)-1-methyl-7-nitro-1h-benzo[e][1,4]diazepin-2(3h)-one
flunitrazepan
MLS003899224
smr000058981
5-(2-fluorophenyl)-1,3-dihydro-1-methyl-7-nitro-2h-1,4-benzodiazepin-2-one
gtpl4193
gtpl4360
flunitrazepam [ep monograph]
flunitrazepam [who-dd]
flunitrazepam [hsdb]
flunitrazepam [inn]
flunitrazepam [usan]
flunitrazepam [jan]
flunitrazepam [mi]
flunitrazepam [mart.]
SCHEMBL44169
1,3-dihydro-5-(2-fluorophenyl)-1-methyl-7-nitro-2h-1,4-benzodiazepin-2-one
5-(2-fluorophenyl)-1-methyl-7-nitro-3h-1,4-benzodiazepin-2(1h)-one
W-107962
flunidazepam
5-(2-fluorophenyl)-1-methyl-7-nitro-1,3-dihydrobenzo[e][1,4]diazepin-2-one
5-(2-fluorophenyl)-1-methyl-7-nitro-1,3-dihydro-2h-1,4-benzodiazepin-2-one #
DTXSID7023065
fluscand
CHEBI:31622
hipnosedon
valsera
flunita
hypnor
hypnodorm
primum
flunitrazepam, european pharmacopoeia (ep) reference standard
flunitrazepam-13c6, 100 mug/ml in methanol, certified reference material
flunitrazepam 0.1 mg/ml in methanol
flunitrazepam 1.0 mg/ml in methanol
(e)-5-(2-fluorophenyl)-1-methyl-7-nitro-1h-benzo[e][1,4]diazepin-2(3h)-one
Q62947
flunitrazepam, 1mg/ml in methanol

Excerpt	Reference
"Flunitrazepam is an extremely potent benzodiazepine sedative which is associated with "drug-facilitated sexual assault" when administered within an alcoholic drink. "	( Diamanteas, K; Economou, A; Kokkinos, C; Papadopoulos, F, 2020)
"Flunitrazepam is a newer benzodiazepine that is preferentially used recreationally and to facilitate sexual assault."	( Doyno, CR; White, CM, 2021)
"Flunitrazepam (FNZ) is a potent hypnotic, sedative, and amnestic drug used to treat insomnia and as a pre-anesthetic agent. "	( Dinis-Oliveira, RJ, 2017)
"Flunitrazepam (FNZ) is a potent hypnotic, sedative, and amnestic drug used to treat severe insomnia. "	( Liu, Y; Lu, J; Qiao, J; Qin, S; Wang, Y; Xin, G; Xu, D; Xu, Z; Zhang, W; Zhang, Y, 2019)
"Flunitrazepam is a potent benzodiazepine that is subject to abuse and malicious use. "	( Forrester, MB, 2006)
"Flunitrazepam is a benzodiazepine derivative whose hypnotic effect predominates over the sedative, anxiolytic, muscle-relaxing and anticonvulsant effects characteristic of benzodiazepines. "	( Larni, HM; Mattila, MA, 1980)
"Flunitrazepam appears to be a useful alternative anesthesia-induction agent that prevents some of the side effects of succinylcholine without reducing its efficiency."	( Aronson, HB; Vatashsky, E, 1982)
"Flunitrazepam appears to be a narcohypnotic of choice in ophthalmological surgery on these inherently debilitated patients."	( Deligne, P; Forest, A; Girard, P; Maillet, J; Perier, JF, 1982)
"The flunitrazepam is a benzodiazepine with hypnotic, ansiolytic and miorelaxant properties, which has been used as an anaesthetic in major and minor surgery."	( Birkner, R; Durán, E; Ercilla, R; Schilkrut, R, 1980)
"Flunitrazepam is a benzodiazepine that fulfills all these criteria."	( Barnas, C; Fleischhacker, WW; Hummer, M; Miller, C; Pycha, R; Stuppäck, C; Whitworth, A, 1993)
"Flunitrazepam is a benzodiazepine of long half-life with sedative, anxiolytic, muscle relaxant and anticonvulsant properties. "	( Sanders, HG; Smales, EA; Smales, OR, 1993)
"Flunitrazepam is an hypnotic benzodiazepine marketed in different European countries. "	( Camí, J; Farré, M; Terán, MT, 1996)
"Flunitrazepam (Rohypnol) is a benzodiazepine used in the treatment of insomnia as a sedative hypnotic and as preanesthetic medication in European countries and Mexico. "	( Deitermann, D; Feeley, B; Kaleciak, K; Kronstrand, R; Lewis, D; Moore, C; Negrusz, A; Niedbala, RS, 1999)
"Flunitrazepam is a potent benzodiazepine."	( Larive, LL; Romanelli, F; Smith, KM, 2002)
"Flunitrazepam is a new oral premedicant with prominent sedative and anxiolytic actions."	( Kangas, L; Kanto, J; Mansikka, M, 1979)
"3H-Flunitrazepam is a very suitable ligand for affinity binding and it binds to the same class of binding sites as 3H-diazepam."	( Braestrup, C; Squires, RF, 1978)
"Flunitrazepam is a benzodiazepine with pronounced hypnotic effects in the usual dosage."	( Eldor, J, 1992)
"Flunitrazepam is a well-known hypnotic, binding to both the benzodiazepine 1 and 2 receptor subtypes."	( Declerck, AC; O'Hanlon, JF; Ruwe, F; Vermeeren, A; Wauquier, A, 1992)

Excerpt	Reference
"Flunitrazepam has a faster and more extensive tissue distribution and a more rapid elimination (half-life about 12 h) in children than in adults."	( Aaltonen, L; Iisalo, E; Kanto, J; Mäkelä, J, 1984)
"Flunitrazepam has greater potency and higher affinity for the type A GABA receptor than most benzodiazepines."	( Doyno, CR; White, CM, 2021)
"Flunitrazepam has been reported to trigger cases of extreme violence in man and recently it was shown to heighten aggression in experimental rats. "	( Svensson, AI, 2009)
"[3H]flunitrazepam has been used as a photoaffinity label for the specific, clonazepam-displaceable 1,4-benzodiazepine binding sites in sections of normal C57BL6J mouse brain and spinal cord. "	( Biscoe, TJ; Fry, JP; Rickets, C, 1984)
"Flunitrazepam has a faster and more extensive tissue distribution and a more rapid elimination (half-life about 12 h) in children than in adults."	( Aaltonen, L; Iisalo, E; Kanto, J; Mäkelä, J, 1984)
"Flunitrazepam has no therapeutic advantage over benzodiazepines presently marketed in the US."	( Cupp, MJ; Simmons, MM, 1998)
"Flunitrazepam (Ro 5-4200) has been studied as an induction agent in 220 volunteers or patients. "	( Clarke, RS; Dundee, JW; Gaston, JH; Varadarajan, CR, 1976)

Excerpt	Reference
"4. Flunitrazepam-induced increase on wet dog shake frequency was partially reduced by flumazenil, and strongly antagonized by ritanserine and Ro 15-4513."	( Gibert-Rahola, J; Maldonado, R; Micó, JA; Valverde, O, 1995)

Excerpt	Reference
"With flunitrazepam pretreatment, there were no deaths after lidocaine and only one after bupivacaine."	( Aronson, HB; Vatashsky, E; Zaroura, S, 1983)
"Flunitrazepam treatment reduced (p < 0.05) the maximal GABA-stimulated increase in extracellular acidification rate (Emax) (16.5 +/- 1.2% and 11.3 +/- 1.0%, 2-day control and treated cells, respectively; 17.4 +/- 1.0% and 9.9 +/- 0.7%, 7-day control and treated cells, respectively; best-fit Emax +/- SEM, n = 7), without affecting the GABA concentration required to elicit 50% of maximal response (EC50) (1.2 +/- 1.7 and 2.3 +/- 1.8 microM, 2-day control and treated cells, respectively; 1.7 +/- 1.5 and 1.5 +/- 1.5 microM, 7-day control and treated cells, respectively; best-fit EC50 +/- SEM, n = 7)."	( Bristow, DR; Brown, MJ; Coldwell, MC; Wood, MD, 1998)

Role	Description
sedative	A central nervous system depressant used to induce drowsiness or sleep or to reduce psychological excitement or anxiety.
GABAA receptor agonist	A GABA receptor agonist specific for GABAA receptors, ligand-gated ion channels (also known as ionotropic receptors).
anxiolytic drug	Anxiolytic drugs are agents that alleviate anxiety, tension, and anxiety disorders, promote sedation, and have a calming effect without affecting clarity of consciousness or neurologic conditions.
[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
1,4-benzodiazepinone
C-nitro compound	A nitro compound having the nitro group (-NO2) attached to a carbon atom.
monofluorobenzenes	Any member of the class of fluorobenzenes containing a mono- or poly-substituted benzene ring carrying a single fluorine substitutent.
[compound class information is derived from Chemical Entities of Biological Interest (ChEBI), Hastings J, Owen G, Dekker A, Ennis M, Kale N, Muthukrishnan V, Turner S, Swainston N, Mendes P, Steinbeck C. (2016). ChEBI in 2016: Improved services and an expanding collection of metabolites. Nucleic Acids Res]

Pathway	Proteins	Compounds
Citrate Cycle	19	30

Protein	Taxonomy	Measurement	Average	Min (ref.)	Avg (ref.)	Max (ref.)	Bioassay(s)
Gamma-aminobutyric acid receptor subunit pi	Homo sapiens (human)	IC50 (µMol)	263,027.0000	0.0001	1.0201	6.0000	AID40995
Gamma-aminobutyric acid receptor subunit pi	Rattus norvegicus (Norway rat)	IC50 (µMol)	0.0016	0.0001	0.5075	10.0000	AID40817; AID40826; AID42335
Gamma-aminobutyric acid receptor subunit delta	Homo sapiens (human)	IC50 (µMol)	263,027.0000	0.0001	1.0201	6.0000	AID40995
Gamma-aminobutyric acid receptor subunit alpha-1	Homo sapiens (human)	IC50 (µMol)	263,027.0000	0.0001	1.1494	8.0000	AID40995
Gamma-aminobutyric acid receptor subunit alpha-1	Homo sapiens (human)	Ki	0.0026	0.0000	0.2108	5.6234	AID1889906; AID219791; AID72640; AID72927
Gamma-aminobutyric acid receptor subunit beta-1	Rattus norvegicus (Norway rat)	IC50 (µMol)	0.0016	0.0001	0.5075	10.0000	AID40817; AID40826; AID42335
Gamma-aminobutyric acid receptor subunit beta-1	Homo sapiens (human)	IC50 (µMol)	263,027.0000	0.0001	1.0393	6.0000	AID40995
Gamma-aminobutyric acid receptor subunit delta	Rattus norvegicus (Norway rat)	IC50 (µMol)	0.0016	0.0001	0.5075	10.0000	AID40817; AID40826; AID42335
Gamma-aminobutyric acid receptor subunit gamma-2	Homo sapiens (human)	IC50 (µMol)	263,027.0000	0.0001	1.2915	8.0000	AID40995
Gamma-aminobutyric acid receptor subunit gamma-2	Homo sapiens (human)	Ki	0.2379	0.0000	0.1881	9.0000	AID1889906; AID1889907; AID1889908; AID1889909; AID219791; AID219938; AID219953; AID71266; AID71267; AID72640; AID72927; AID73077; AID73089; AID73232; AID73244; AID73523; AID73529
Gamma-aminobutyric acid receptor subunit gamma-2	Rattus norvegicus (Norway rat)	IC50 (µMol)	0.0016	0.0001	0.5057	10.0000	AID40817; AID40826; AID42335
Gamma-aminobutyric acid receptor subunit alpha-5	Rattus norvegicus (Norway rat)	IC50 (µMol)	0.0016	0.0001	0.4973	10.0000	AID40817; AID40826; AID42335
Gamma-aminobutyric acid receptor subunit alpha-3	Rattus norvegicus (Norway rat)	IC50 (µMol)	0.0016	0.0001	0.5075	10.0000	AID40817; AID40826; AID42335
Gamma-aminobutyric acid receptor subunit gamma-1	Rattus norvegicus (Norway rat)	IC50 (µMol)	0.0016	0.0001	0.4988	10.0000	AID40817; AID40826; AID42335
Gamma-aminobutyric acid receptor subunit alpha-2	Rattus norvegicus (Norway rat)	IC50 (µMol)	0.0016	0.0001	0.5046	10.0000	AID40817; AID40826; AID42335
Gamma-aminobutyric acid receptor subunit alpha-4	Rattus norvegicus (Norway rat)	IC50 (µMol)	0.0016	0.0001	0.5075	10.0000	AID40817; AID40826; AID42335
Gamma-aminobutyric acid receptor subunit beta-3	Homo sapiens (human)	IC50 (µMol)	263,027.0000	0.0001	1.3018	8.0000	AID40995
Gamma-aminobutyric acid receptor subunit beta-3	Homo sapiens (human)	Ki	0.3358	0.0001	0.2076	9.0000	AID219791; AID219938; AID219953; AID71266; AID71267; AID72927; AID73077; AID73089; AID73232; AID73244; AID73523; AID73529
Gamma-aminobutyric acid receptor subunit gamma-3	Rattus norvegicus (Norway rat)	IC50 (µMol)	0.0016	0.0001	0.5075	10.0000	AID40817; AID40826; AID42335
Gamma-aminobutyric acid receptor subunit alpha-6	Rattus norvegicus (Norway rat)	IC50 (µMol)	0.0016	0.0001	0.5075	10.0000	AID40817; AID40826; AID42335
Translocator protein	Homo sapiens (human)	IC50 (µMol)	263,027.0000	0.0003	0.1302	0.4900	AID40987
Cholecystokinin receptor type A	Rattus norvegicus (Norway rat)	IC50 (µMol)	100.0000	0.0000	0.4362	4.3000	AID52410; AID52413
Gastrin/cholecystokinin type B receptor	Rattus norvegicus (Norway rat)	IC50 (µMol)	100.0000	0.0001	0.2480	1.4000	AID52410
Gamma-aminobutyric acid receptor subunit alpha-5	Homo sapiens (human)	IC50 (µMol)	263,027.0000	0.0001	0.9800	6.0000	AID40995
Gamma-aminobutyric acid receptor subunit alpha-5	Homo sapiens (human)	Ki	0.0021	0.0001	0.2442	5.6234	AID1889909; AID73523; AID73529
Gamma-aminobutyric acid receptor subunit alpha-3	Homo sapiens (human)	IC50 (µMol)	263,027.0000	0.0001	1.1993	6.0000	AID40995
Gamma-aminobutyric acid receptor subunit alpha-3	Homo sapiens (human)	Ki	0.0048	0.0001	0.2515	5.6234	AID1889908; AID219953; AID73232; AID73244
Gamma-aminobutyric acid receptor subunit alpha-2	Homo sapiens (human)	IC50 (µMol)	263,027.0000	0.0001	1.0201	6.0000	AID40995
Gamma-aminobutyric acid receptor subunit alpha-2	Homo sapiens (human)	Ki	0.0021	0.0001	0.2401	5.6234	AID1889907; AID219938; AID73077; AID73089
Gamma-aminobutyric acid receptor subunit beta-2	Homo sapiens (human)	IC50 (µMol)	263,027.0000	0.0001	0.9374	6.0000	AID40995
Gamma-aminobutyric acid receptor subunit beta-2	Homo sapiens (human)	Ki	0.0030	0.0000	0.2832	5.6234	AID1889906; AID1889907; AID1889908; AID1889909; AID72640
Gamma-aminobutyric acid receptor subunit alpha-4	Homo sapiens (human)	IC50 (µMol)	263,027.0000	0.0001	1.0193	6.0000	AID40995
Gamma-aminobutyric acid receptor subunit alpha-1	Rattus norvegicus (Norway rat)	IC50 (µMol)	0.0016	0.0001	0.5065	10.0000	AID40817; AID40826; AID42335
Gamma-aminobutyric acid receptor subunit beta-3	Rattus norvegicus (Norway rat)	IC50 (µMol)	0.0016	0.0001	0.5057	10.0000	AID40817; AID40826; AID42335
Gamma-aminobutyric acid receptor subunit beta-2	Rattus norvegicus (Norway rat)	IC50 (µMol)	0.0016	0.0001	0.5075	10.0000	AID40817; AID40826; AID42335
Gamma-aminobutyric acid receptor subunit epsilon	Homo sapiens (human)	IC50 (µMol)	263,027.0000	0.0001	1.0201	6.0000	AID40995
Gamma-aminobutyric acid receptor subunit alpha-6	Homo sapiens (human)	IC50 (µMol)	263,027.0000	0.0001	1.0201	6.0000	AID40995
Gamma-aminobutyric acid receptor subunit alpha-6	Homo sapiens (human)	Ki	2.0000	0.0002	0.4119	9.0000	AID71266; AID71267
Gamma-aminobutyric acid receptor subunit gamma-1	Homo sapiens (human)	IC50 (µMol)	263,027.0000	0.0001	1.0201	6.0000	AID40995
GABA theta subunit	Rattus norvegicus (Norway rat)	IC50 (µMol)	0.0016	0.0001	0.5075	10.0000	AID40817; AID40826; AID42335
Gamma-aminobutyric acid receptor subunit gamma-3	Homo sapiens (human)	IC50 (µMol)	263,027.0000	0.0001	1.0201	6.0000	AID40995
Gamma-aminobutyric acid receptor subunit epsilon	Rattus norvegicus (Norway rat)	IC50 (µMol)	0.0016	0.0001	0.5075	10.0000	AID40817; AID40826; AID42335
Gamma-aminobutyric acid receptor subunit theta	Homo sapiens (human)	IC50 (µMol)	263,027.0000	0.0001	1.0201	6.0000	AID40995
[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 alpha-1	Homo sapiens (human)	EC50 (µMol)	0.0014	0.0011	2.0009	10.0000	AID385604
Gamma-aminobutyric acid receptor subunit alpha-1	Homo sapiens (human)	Kd	0.0045	0.0001	0.0102	0.0760	AID343089
Gamma-aminobutyric acid receptor subunit gamma-2	Homo sapiens (human)	EC50 (µMol)	0.0014	0.0014	1.9578	10.0000	AID385604
Gamma-aminobutyric acid receptor subunit alpha-5	Homo sapiens (human)	Kd	0.0030	0.0005	0.1283	0.8260	AID343090
Gamma-aminobutyric acid receptor subunit beta-2	Homo sapiens (human)	EC50 (µMol)	0.0014	0.0014	1.7768	10.0000	AID385604
[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)
protein targeting to mitochondrion	Translocator protein	Homo sapiens (human)
C21-steroid hormone biosynthetic process	Translocator protein	Homo sapiens (human)
heme biosynthetic process	Translocator protein	Homo sapiens (human)
monoatomic anion transport	Translocator protein	Homo sapiens (human)
chloride transport	Translocator protein	Homo sapiens (human)
steroid metabolic process	Translocator protein	Homo sapiens (human)
glial cell migration	Translocator protein	Homo sapiens (human)
response to xenobiotic stimulus	Translocator protein	Homo sapiens (human)
response to manganese ion	Translocator protein	Homo sapiens (human)
response to vitamin B1	Translocator protein	Homo sapiens (human)
peripheral nervous system axon regeneration	Translocator protein	Homo sapiens (human)
sterol transport	Translocator protein	Homo sapiens (human)
adrenal gland development	Translocator protein	Homo sapiens (human)
negative regulation of protein ubiquitination	Translocator protein	Homo sapiens (human)
regulation of cholesterol transport	Translocator protein	Homo sapiens (human)
response to progesterone	Translocator protein	Homo sapiens (human)
negative regulation of tumor necrosis factor production	Translocator protein	Homo sapiens (human)
response to testosterone	Translocator protein	Homo sapiens (human)
regulation of cell population proliferation	Translocator protein	Homo sapiens (human)
cholesterol homeostasis	Translocator protein	Homo sapiens (human)
positive regulation of apoptotic process	Translocator protein	Homo sapiens (human)
negative regulation of nitric oxide biosynthetic process	Translocator protein	Homo sapiens (human)
behavioral response to pain	Translocator protein	Homo sapiens (human)
regulation of steroid biosynthetic process	Translocator protein	Homo sapiens (human)
positive regulation of mitochondrial depolarization	Translocator protein	Homo sapiens (human)
positive regulation of calcium ion transport	Translocator protein	Homo sapiens (human)
contact inhibition	Translocator protein	Homo sapiens (human)
positive regulation of glial cell proliferation	Translocator protein	Homo sapiens (human)
negative regulation of glial cell proliferation	Translocator protein	Homo sapiens (human)
positive regulation of programmed necrotic cell death	Translocator protein	Homo sapiens (human)
cellular response to lipopolysaccharide	Translocator protein	Homo sapiens (human)
cellular response to zinc ion	Translocator protein	Homo sapiens (human)
cellular hypotonic response	Translocator protein	Homo sapiens (human)
maintenance of protein location in mitochondrion	Translocator protein	Homo sapiens (human)
negative regulation of mitophagy	Translocator protein	Homo sapiens (human)
negative regulation of ATP metabolic process	Translocator protein	Homo sapiens (human)
response to acetylcholine	Translocator protein	Homo sapiens (human)
positive regulation of reactive oxygen species metabolic process	Translocator protein	Homo sapiens (human)
negative regulation of corticosterone secretion	Translocator protein	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)
androgen binding	Translocator protein	Homo sapiens (human)
protein binding	Translocator protein	Homo sapiens (human)
benzodiazepine receptor activity	Translocator protein	Homo sapiens (human)
cholesterol binding	Translocator protein	Homo sapiens (human)
transmembrane transporter binding	Translocator protein	Homo sapiens (human)
cholesterol transfer activity	Translocator protein	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 gamma-2	Rattus norvegicus (Norway rat)
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)
mitochondrion	Translocator protein	Homo sapiens (human)
mitochondrial outer membrane	Translocator protein	Homo sapiens (human)
cytosol	Translocator protein	Homo sapiens (human)
intracellular membrane-bounded organelle	Translocator protein	Homo sapiens (human)
extracellular exosome	Translocator protein	Homo sapiens (human)
endoplasmic reticulum	Translocator protein	Homo sapiens (human)
membrane	Translocator protein	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)
plasma membrane	Gamma-aminobutyric acid receptor subunit alpha-1	Rattus norvegicus (Norway rat)
plasma membrane	Gamma-aminobutyric acid receptor subunit beta-2	Rattus norvegicus (Norway rat)
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]

Bioassays (93)

Assay ID	Title	Year	Journal	Article
AID1301531	Selectivity ratio, ratio of Ki for central-type benzodiazepine receptor in bovine cortical membrane to Ki for central-type benzodiazepine receptor in bovine cortical membrane in presence of 50 uM of GABA	2016	Journal of medicinal chemistry, Apr-14, Volume: 59, Issue:7	Design, Synthesis, and Biological Evaluation of Imidazo[1,5-a]quinoline as Highly Potent Ligands of Central Benzodiazepine Receptors.
AID540212	Mean residence time in human after iv administration	2008	Drug metabolism and disposition: the biological fate of chemicals, Jul, Volume: 36, Issue:7	Trend analysis of a database of intravenous pharmacokinetic parameters in humans for 670 drug compounds.
AID385604	Activity at human GABAA alpha-1-beta-2-gamma-2S327 receptor in HEK293 cells expressing as-PKCepsilon cells assessed as evoked current response by whole cell patch clamp method	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.
AID226385	Displacement of [3H]flunitrazepam from GABA-A benzodiazepine receptor of rat cerebral cortex membrane	1987	Journal of medicinal chemistry, Jul, Volume: 30, Issue:7	Synthesis of beta-carboline-benzodiazepine hybrid molecules: use of the known structural requirements for benzodiazepine and beta-carboline binding in designing a novel, high-affinity ligand for the benzodiazepine receptor.
AID26304	Partition coefficient (logD6.5)	2000	Journal of medicinal chemistry, Jun-29, Volume: 43, Issue:13	QSAR model for drug human oral bioavailability.
AID385594	Activity at human GABAA alpha-1-beta-2-gamma-2 LS327A,S343A receptor in HEK293 cells expressing as-PKCepsilon assessed as evoked current response by whole cell patch clamp method	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.
AID588211	Literature-mined compound from Fourches et al multi-species drug-induced liver injury (DILI) dataset, effect in humans	2010	Chemical research in toxicology, Jan, Volume: 23, Issue:1	Cheminformatics analysis of assertions mined from literature that describe drug-induced liver injury in different species.
AID229422	Selectivity of binding to pancreatic CCK and brain benzodiazepine receptors, ratio of IC50	1987	Journal of medicinal chemistry, Jul, Volume: 30, Issue:7	Design of nonpeptidal ligands for a peptide receptor: cholecystokinin antagonists.
AID52280	Half-maximal inhibition of [125I]-CCK-8(+) binding to cholecystokinin receptor from guinea pig brain tissue	1988	Journal of medicinal chemistry, Dec, Volume: 31, Issue:12	Methods for drug discovery: development of potent, selective, orally effective cholecystokinin antagonists.
AID1150164	Anticonvulsion activity in mouse assessed as protection against pentylenetetrazole-induced convulsion	1977	Journal of medicinal chemistry, Sep, Volume: 20, Issue:9	Electronic factors in the structure-activity relationship of some 1,4-benzodiazepin-2-ones.
AID1889906	Displacement of [3H]flunitrazepam from human recombinant alpha1beta2gamma2 GABAA receptor expressed in HEK cell membrane by competitive radioligand binding assay	2022	Bioorganic & medicinal chemistry letters, 04-15, Volume: 62	Rationalizing the binding and α subtype selectivity of synthesized imidazodiazepines and benzodiazepines at GABAA receptors by using molecular docking studies.
AID219791	Binding affinity measured using LtK- cell membranes expressing GABA alpha-1-beta-3-gamma-2 receptor	1998	Journal of medicinal chemistry, Jul-02, Volume: 41, Issue:14	Synthesis and evaluation of analogues of the partial agonist 6-(propyloxy)-4-(methoxymethyl)-beta-carboline-3-carboxylic acid ethyl ester (6-PBC) and the full agonist 6-(benzyloxy)-4-(methoxymethyl)-beta-carboline-3-carboxylic acid ethyl ester (Zk 93423)
AID13306	-Log C was determined by performing the incl screen test	1980	Journal of medicinal chemistry, Apr, Volume: 23, Issue:4	Decomposition of pharmacological activity indices into mutually independent components using principal component analysis.
AID385595	Activity at human GABAA alpha-1-beta-2-gamma-2 LS327A receptor in HEK293 cells expressing as-PKCepsilon assessed as evoked current response by whole cell patch clamp method	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.
AID1150163	Taming activity in mouse assessed as suppression of electrical current-induced aggressive behavior by foot-shock test	1977	Journal of medicinal chemistry, Sep, Volume: 20, Issue:9	Electronic factors in the structure-activity relationship of some 1,4-benzodiazepin-2-ones.
AID73244	Binding affinity for human recombinant gamma-aminobutyric-acid (GABA) A receptor alpha-3-beta-3-gamma-2	2000	Journal of medicinal chemistry, Jan-13, Volume: 43, Issue:1	Pharmacophore/receptor models for GABA(A)/BzR subtypes (alpha1beta3gamma2, alpha5beta3gamma2, and alpha6beta3gamma2) via a comprehensive ligand-mapping approach.
AID40987	Binding affinity of compound towards Benzodiazepine receptor in a competition assay	1996	Journal of medicinal chemistry, Dec-20, Volume: 39, Issue:26	Genetic neural networks for quantitative structure-activity relationships: improvements and application of benzodiazepine affinity for benzodiazepine/GABAA receptors.
AID72640	Binding affinity evaluated by ability to displace [3H]Ro-151788 from recombinant human Gamma-aminobutyric acid A receptor alpha-1-beta-2-gamma-2 expressed in L(tk-)cells	2000	Bioorganic & medicinal chemistry letters, Jun-19, Volume: 10, Issue:12	N-(indol-3-ylglyoxylyl)piperidines: high affinity agonists of human GABA-A receptors containing the alpha1 subunit.
AID71267	Binding affinity measured using LtK- cell membranes expressing Gamma-aminobutyric acid A receptor alpha-6-beta-3-gamma-2	1998	Journal of medicinal chemistry, Jul-02, Volume: 41, Issue:14	Synthesis and evaluation of analogues of the partial agonist 6-(propyloxy)-4-(methoxymethyl)-beta-carboline-3-carboxylic acid ethyl ester (6-PBC) and the full agonist 6-(benzyloxy)-4-(methoxymethyl)-beta-carboline-3-carboxylic acid ethyl ester (Zk 93423)
AID42335	Displacement of [3H]diazepam from GABA-A Benzodiazepine receptor of rat forebrain	1991	Journal of medicinal chemistry, Jan, Volume: 34, Issue:1	Synthesis and benzodiazepine binding activity of a series of novel [1,2,4]triazolo[1,5-c]quinazolin-5(6H)-ones.
AID52413	Half-maximal inhibition of [125I]CCK-33 binding to cholecystokinin A receptor from rat pancreatic tissue	1988	Journal of medicinal chemistry, Dec, Volume: 31, Issue:12	Methods for drug discovery: development of potent, selective, orally effective cholecystokinin antagonists.
AID73089	Binding affinity to human recombinant gamma-aminobutyric-acid (GABA) A receptor alpha-2-beta-3-gamma-2	2000	Journal of medicinal chemistry, Jan-13, Volume: 43, Issue:1	Pharmacophore/receptor models for GABA(A)/BzR subtypes (alpha1beta3gamma2, alpha5beta3gamma2, and alpha6beta3gamma2) via a comprehensive ligand-mapping approach.
AID13304	-Log C was determined by performing the electroshock minimum test	1980	Journal of medicinal chemistry, Apr, Volume: 23, Issue:4	Decomposition of pharmacological activity indices into mutually independent components using principal component analysis.
AID701024	Ratio of Ki for central benzodiazepine receptor in human cortical membrane to Ki for central benzodiazepine receptor in human cortical membrane in presence of 50 uM GABA	2011	Journal of medicinal chemistry, Aug-25, Volume: 54, Issue:16	New insight into the central benzodiazepine receptor-ligand interactions: design, synthesis, biological evaluation, and molecular modeling of 3-substituted 6-phenyl-4H-imidazo[1,5-a][1,4]benzodiazepines and related compounds.
AID365608	Displacement of [3H]flumazenil from CBR in bovine cortical membrane	2008	Journal of medicinal chemistry, Aug-14, Volume: 51, Issue:15	Ethyl 8-fluoro-6-(3-nitrophenyl)-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxylate as novel, highly potent, and safe antianxiety agent.
AID385593	Activity at human GABAA alpha1beta2 S410A-gamma-2-LS327A,S343A receptor in HEK293 cells expressing as-PKCepsilon assessed as evoked current response by whole cell patch clamp method	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.
AID13308	-Log C was determined by performing the pentylenetetrazole test	1980	Journal of medicinal chemistry, Apr, Volume: 23, Issue:4	Decomposition of pharmacological activity indices into mutually independent components using principal component analysis.
AID701023	Ratio of Ki for central benzodiazepine receptor in bovine cortical membrane to Ki for central benzodiazepine receptor in bovine cortical membrane in presence of 50 uM GABA	2011	Journal of medicinal chemistry, Aug-25, Volume: 54, Issue:16	New insight into the central benzodiazepine receptor-ligand interactions: design, synthesis, biological evaluation, and molecular modeling of 3-substituted 6-phenyl-4H-imidazo[1,5-a][1,4]benzodiazepines and related compounds.
AID1889908	Displacement of [3H]flunitrazepam from human recombinant alpha3beta2gamma2 GABAA receptor expressed in HEK cell membrane by competitive radioligand binding assay	2022	Bioorganic & medicinal chemistry letters, 04-15, Volume: 62	Rationalizing the binding and α subtype selectivity of synthesized imidazodiazepines and benzodiazepines at GABAA receptors by using molecular docking studies.
AID227698	Evaluation for the Anti-pentylenetetrazole effect.	1990	Journal of medicinal chemistry, Sep, Volume: 33, Issue:9	Neural networks applied to quantitative structure-activity relationship analysis.
AID71266	Binding affinity for human recombinant gamma-aminobutyric-acid (GABA) A receptor alpha-6-beta-3-gamma-2	2000	Journal of medicinal chemistry, Jan-13, Volume: 43, Issue:1	Pharmacophore/receptor models for GABA(A)/BzR subtypes (alpha1beta3gamma2, alpha5beta3gamma2, and alpha6beta3gamma2) via a comprehensive ligand-mapping approach.
AID40817	Displacement of [3H]diazepam from rat brain GABA-A benzodiazepine receptor	1987	Journal of medicinal chemistry, Jul, Volume: 30, Issue:7	Design of nonpeptidal ligands for a peptide receptor: cholecystokinin antagonists.
AID385601	Activity of human GABA alpha-1-beta-2-gamma-2 LS327A mutant in HEK293 cells assessed as activation of current at 300 nM	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.
AID1889909	Displacement of [3H]flunitrazepam from human recombinant alpha5beta2gamma2 GABAA receptor expressed in HEK cell membrane by competitive radioligand binding assay	2022	Bioorganic & medicinal chemistry letters, 04-15, Volume: 62	Rationalizing the binding and α subtype selectivity of synthesized imidazodiazepines and benzodiazepines at GABAA receptors by using molecular docking studies.
AID40827	Displacement of [3H]beta-CCE from GABA-A benzodiazepine receptor of rat cerebral cortex membranes	1987	Journal of medicinal chemistry, Jul, Volume: 30, Issue:7	Synthesis of beta-carboline-benzodiazepine hybrid molecules: use of the known structural requirements for benzodiazepine and beta-carboline binding in designing a novel, high-affinity ligand for the benzodiazepine receptor.
AID40995	Binding affinity towards benzodiazepine/GABA A receptor.	1995	Journal of medicinal chemistry, Feb-17, Volume: 38, Issue:4	Prediction of receptor properties and binding affinity of ligands to benzodiazepine/GABAA receptors using artificial neural networks.
AID13307	-Log C was determined by performing the maximum electroshock test	1980	Journal of medicinal chemistry, Apr, Volume: 23, Issue:4	Decomposition of pharmacological activity indices into mutually independent components using principal component analysis.
AID540213	Half life in human after iv administration	2008	Drug metabolism and disposition: the biological fate of chemicals, Jul, Volume: 36, Issue:7	Trend analysis of a database of intravenous pharmacokinetic parameters in humans for 670 drug compounds.
AID1150162	Muscle relaxant activity in mouse	1977	Journal of medicinal chemistry, Sep, Volume: 20, Issue:9	Electronic factors in the structure-activity relationship of some 1,4-benzodiazepin-2-ones.
AID73232	Binding affinity evaluated by ability to displace [3H]Ro-151788 from recombinant human Gamma-aminobutyric acid A receptor alpha-3-beta-3-gamma-2 expressed in L(tk-)cells	2000	Bioorganic & medicinal chemistry letters, Jun-19, Volume: 10, Issue:12	N-(indol-3-ylglyoxylyl)piperidines: high affinity agonists of human GABA-A receptors containing the alpha1 subunit.
AID139100	Logarithm of effective dose evaluated using the foot-shock test in mice	1983	Journal of medicinal chemistry, Aug, Volume: 26, Issue:8	Quantitative structure-activity relationships employing independent quantum chemical indices.
AID343090	Binding affinity to GABAA alpha-5-beta-2-gamma-2 receptor	2008	Journal of medicinal chemistry, Jul-10, Volume: 51, Issue:13	Selective influence on contextual memory: physiochemical properties associated with selectivity of benzodiazepine ligands at GABAA receptors containing the alpha5 subunit.
AID1849525	Binding affinity to CBR (unknown origin)	2021	European journal of medicinal chemistry, Jan-01, Volume: 209	An update into the medicinal chemistry of translocator protein (TSPO) ligands.
AID365610	Ratio of Ki for bovine CBR in absence of GABA to Ki for bovine CBR in presence of 50 uM GABA	2008	Journal of medicinal chemistry, Aug-14, Volume: 51, Issue:15	Ethyl 8-fluoro-6-(3-nitrophenyl)-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxylate as novel, highly potent, and safe antianxiety agent.
AID1889907	Displacement of [3H]flunitrazepam from human recombinant alpha2beta2gamma2 GABAA receptor expressed in HEK cell membrane by competitive radioligand binding assay	2022	Bioorganic & medicinal chemistry letters, 04-15, Volume: 62	Rationalizing the binding and α subtype selectivity of synthesized imidazodiazepines and benzodiazepines at GABAA receptors by using molecular docking studies.
AID232605	Ratio of IC50 CCK(pancreas)/ IC50BZD (brain)	1988	Journal of medicinal chemistry, Dec, Volume: 31, Issue:12	Methods for drug discovery: development of potent, selective, orally effective cholecystokinin antagonists.
AID73529	Binding affinity measured using LtK- cell membranes expressing Gamma-aminobutyric acid A receptor alpha-5-beta-3-gamma-2	1998	Journal of medicinal chemistry, Jul-02, Volume: 41, Issue:14	Synthesis and evaluation of analogues of the partial agonist 6-(propyloxy)-4-(methoxymethyl)-beta-carboline-3-carboxylic acid ethyl ester (6-PBC) and the full agonist 6-(benzyloxy)-4-(methoxymethyl)-beta-carboline-3-carboxylic acid ethyl ester (Zk 93423)
AID343089	Binding affinity to GABAA alpha-1-beta-2-gamma-2 receptor	2008	Journal of medicinal chemistry, Jul-10, Volume: 51, Issue:13	Selective influence on contextual memory: physiochemical properties associated with selectivity of benzodiazepine ligands at GABAA receptors containing the alpha5 subunit.
AID1150165	Muscle relaxant activity in cat suspended by scruff of neck assessed as relaxation of body and hind legs	1977	Journal of medicinal chemistry, Sep, Volume: 20, Issue:9	Electronic factors in the structure-activity relationship of some 1,4-benzodiazepin-2-ones.
AID1150161	Sedative activity in mouse	1977	Journal of medicinal chemistry, Sep, Volume: 20, Issue:9	Electronic factors in the structure-activity relationship of some 1,4-benzodiazepin-2-ones.
AID385596	Activity at human GABAA alpha-1-beta-2-S410A-gamma-2L receptor in HEK293 cells expressing as-PKCepsilon assessed as evoked current response by whole cell patch clamp method	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.
AID1301538	Partial inverse agonist activity at central-type benzodiazepine receptor in Sprague-Dawley rat cerebrocortical synaptoneurosomes assessed as decrease in 36Cl- flow after 10 secs by liquid-phase scintillation beta-counting method	2016	Journal of medicinal chemistry, Apr-14, Volume: 59, Issue:7	Design, Synthesis, and Biological Evaluation of Imidazo[1,5-a]quinoline as Highly Potent Ligands of Central Benzodiazepine Receptors.
AID540209	Volume of distribution at steady state in human after iv administration	2008	Drug metabolism and disposition: the biological fate of chemicals, Jul, Volume: 36, Issue:7	Trend analysis of a database of intravenous pharmacokinetic parameters in humans for 670 drug compounds.
AID232720	Selectivity ratio of alpha1 beta-3 gamma2 GABA A / BzR and alpha5 beta-3 gamma2 GABA A / BzR	2000	Journal of medicinal chemistry, Jan-13, Volume: 43, Issue:1	Pharmacophore/receptor models for GABA(A)/BzR subtypes (alpha1beta3gamma2, alpha5beta3gamma2, and alpha6beta3gamma2) via a comprehensive ligand-mapping approach.
AID72927	Binding affinity for human recombinant gamma-aminobutyric-acid (GABA) A receptor alpha-1-beta-3-gamma-2	2000	Journal of medicinal chemistry, Jan-13, Volume: 43, Issue:1	Pharmacophore/receptor models for GABA(A)/BzR subtypes (alpha1beta3gamma2, alpha5beta3gamma2, and alpha6beta3gamma2) via a comprehensive ligand-mapping approach.
AID701026	Agonist activity at central benzodiazepine receptor in Sprague-Dawley rat cerebrocortical synaptoneurosomes assessed as increase in GABA-induced [36]chloride ion flow after 10 seconds by beta liquid scintillation counting	2011	Journal of medicinal chemistry, Aug-25, Volume: 54, Issue:16	New insight into the central benzodiazepine receptor-ligand interactions: design, synthesis, biological evaluation, and molecular modeling of 3-substituted 6-phenyl-4H-imidazo[1,5-a][1,4]benzodiazepines and related compounds.
AID13305	-Log C was determined by performing the foot shock test	1980	Journal of medicinal chemistry, Apr, Volume: 23, Issue:4	Decomposition of pharmacological activity indices into mutually independent components using principal component analysis.
AID73523	Binding affinity for human recombinant gamma-aminobutyric-acid (GABA) A receptor alpha-5-beta-3-gamma-2	2000	Journal of medicinal chemistry, Jan-13, Volume: 43, Issue:1	Pharmacophore/receptor models for GABA(A)/BzR subtypes (alpha1beta3gamma2, alpha5beta3gamma2, and alpha6beta3gamma2) via a comprehensive ligand-mapping approach.
AID40826	Inhibition of [3H]diazepam binding to GABA-A benzodiazepine receptor of rat brain	1988	Journal of medicinal chemistry, Dec, Volume: 31, Issue:12	Methods for drug discovery: development of potent, selective, orally effective cholecystokinin antagonists.
AID29360	Ionization constant (pKa)	2000	Journal of medicinal chemistry, Jun-29, Volume: 43, Issue:13	QSAR model for drug human oral bioavailability.
AID1301535	Selectivity ratio, ratio of Ki for central-type benzodiazepine receptor in human cortical membrane to Ki for central-type benzodiazepine receptor in human cortical membrane in presence of 50 uM of GABA	2016	Journal of medicinal chemistry, Apr-14, Volume: 59, Issue:7	Design, Synthesis, and Biological Evaluation of Imidazo[1,5-a]quinoline as Highly Potent Ligands of Central Benzodiazepine Receptors.
AID22293	Delta logD (logD6.5 - logD7.4)	2000	Journal of medicinal chemistry, Jun-29, Volume: 43, Issue:13	QSAR model for drug human oral bioavailability.
AID701022	Displacement of [3H]flumazenil from central benzodiazepine receptor in human cortical membrane after 90 mins by beta liquid scintillation counting	2011	Journal of medicinal chemistry, Aug-25, Volume: 54, Issue:16	New insight into the central benzodiazepine receptor-ligand interactions: design, synthesis, biological evaluation, and molecular modeling of 3-substituted 6-phenyl-4H-imidazo[1,5-a][1,4]benzodiazepines and related compounds.
AID701021	Displacement of [3H]flumazenil from central benzodiazepine receptor in bovine cortical membrane after 90 mins by beta liquid scintillation counting	2011	Journal of medicinal chemistry, Aug-25, Volume: 54, Issue:16	New insight into the central benzodiazepine receptor-ligand interactions: design, synthesis, biological evaluation, and molecular modeling of 3-substituted 6-phenyl-4H-imidazo[1,5-a][1,4]benzodiazepines and related compounds.
AID52275	Half-maximal inhibition of [125I]CCK-33 binding to guinea pig brain(cortex) cholecystokinin receptor	1987	Journal of medicinal chemistry, Jul, Volume: 30, Issue:7	Design of nonpeptidal ligands for a peptide receptor: cholecystokinin antagonists.
AID539464	Solubility of the compound in 0.1 M phosphate buffer at 600 uM at pH 7.4 after 24 hrs by LC/MS/MS analysis	2010	Bioorganic & medicinal chemistry letters, Dec-15, Volume: 20, Issue:24	Experimental solubility profiling of marketed CNS drugs, exploring solubility limit of CNS discovery candidate.
AID29811	Oral bioavailability in human	2000	Journal of medicinal chemistry, Jun-29, Volume: 43, Issue:13	QSAR model for drug human oral bioavailability.
AID385600	Activity of human GABA alpha-1-beta-2-gamma-2L receptor in HEK293 cells assessed as activation of current at 300 nM	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.
AID227697	Compound was evaluated for the Anti-fighting behavior.	1990	Journal of medicinal chemistry, Sep, Volume: 33, Issue:9	Neural networks applied to quantitative structure-activity relationship analysis.
AID588213	Literature-mined compound from Fourches et al multi-species drug-induced liver injury (DILI) dataset, effect in non-rodents	2010	Chemical research in toxicology, Jan, Volume: 23, Issue:1	Cheminformatics analysis of assertions mined from literature that describe drug-induced liver injury in different species.
AID228469	Evaluation of inclined screen test.	1990	Journal of medicinal chemistry, Sep, Volume: 33, Issue:9	Neural networks applied to quantitative structure-activity relationship analysis.
AID588212	Literature-mined compound from Fourches et al multi-species drug-induced liver injury (DILI) dataset, effect in rodents	2010	Chemical research in toxicology, Jan, Volume: 23, Issue:1	Cheminformatics analysis of assertions mined from literature that describe drug-induced liver injury in different species.
AID52410	Half-maximal inhibition of [125I]-CCK-33 binding to rat pancreas cholecystokinin receptor	1987	Journal of medicinal chemistry, Jul, Volume: 30, Issue:7	Design of nonpeptidal ligands for a peptide receptor: cholecystokinin antagonists.
AID365611	Ratio of Ki for human CBR in absence of GABA to Ki for human CBR in presence of 50 uM GABA	2008	Journal of medicinal chemistry, Aug-14, Volume: 51, Issue:15	Ethyl 8-fluoro-6-(3-nitrophenyl)-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxylate as novel, highly potent, and safe antianxiety agent.
AID540211	Fraction unbound in human after iv administration	2008	Drug metabolism and disposition: the biological fate of chemicals, Jul, Volume: 36, Issue:7	Trend analysis of a database of intravenous pharmacokinetic parameters in humans for 670 drug compounds.
AID72448	Ability to affect GABA-induced chloride current in Xenopus oocytes transiently expressing human GABA-A alpha-1-beta-2-gamma-2 receptors using two-electrode voltage-clamp electrophysiology at test concentration of 1 uM	2000	Bioorganic & medicinal chemistry letters, Jun-19, Volume: 10, Issue:12	N-(indol-3-ylglyoxylyl)piperidines: high affinity agonists of human GABA-A receptors containing the alpha1 subunit.
AID385603	Activity of human GABA alpha-1-beta-2-gamma-2 LS327A mutant in HEK293 cells assessed as inactivation of current at 300 nM	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.
AID365609	Displacement of [3H]flumazenil from CBR in human cortical membrane	2008	Journal of medicinal chemistry, Aug-14, Volume: 51, Issue:15	Ethyl 8-fluoro-6-(3-nitrophenyl)-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxylate as novel, highly potent, and safe antianxiety agent.
AID243422	log (1/Km) value for human liver microsome cytochrome P450 3A4	2005	Bioorganic & medicinal chemistry letters, Sep-15, Volume: 15, Issue:18	Modeling K(m) values using electrotopological state: substrates for cytochrome P450 3A4-mediated metabolism.
AID624647	Inhibition of AZT glucuronidation by human UGT enzymes from liver microsomes	2005	Pharmacology & therapeutics, Apr, Volume: 106, Issue:1	UDP-glucuronosyltransferases and clinical drug-drug interactions.
AID1301529	Displacement of [3H]-flumazenil from central-type benzodiazepine receptor in bovine cortical membrane after 90 mins by liquid-phase scintillation beta-counting method	2016	Journal of medicinal chemistry, Apr-14, Volume: 59, Issue:7	Design, Synthesis, and Biological Evaluation of Imidazo[1,5-a]quinoline as Highly Potent Ligands of Central Benzodiazepine Receptors.
AID672795	Displacement of [3H]flumazenil from central benzodiazepine receptor in rat cerebral cortex membranes at 10 uM after 90 mins by competitive binding assay	2012	Journal of medicinal chemistry, May-10, Volume: 55, Issue:9	Synthesis and biological evaluation of 4-phenylquinazoline-2-carboxamides designed as a novel class of potent ligands of the translocator protein.
AID219938	Binding affinity measured using LtK- cell membranes expressing GABA alpha-2-beta-3-gamma-2 receptor	1998	Journal of medicinal chemistry, Jul-02, Volume: 41, Issue:14	Synthesis and evaluation of analogues of the partial agonist 6-(propyloxy)-4-(methoxymethyl)-beta-carboline-3-carboxylic acid ethyl ester (6-PBC) and the full agonist 6-(benzyloxy)-4-(methoxymethyl)-beta-carboline-3-carboxylic acid ethyl ester (Zk 93423)
AID219953	Binding affinity measured using LtK- cell membranes expressing GABA alpha-3-beta-3-gamma-2 receptor	1998	Journal of medicinal chemistry, Jul-02, Volume: 41, Issue:14	Synthesis and evaluation of analogues of the partial agonist 6-(propyloxy)-4-(methoxymethyl)-beta-carboline-3-carboxylic acid ethyl ester (6-PBC) and the full agonist 6-(benzyloxy)-4-(methoxymethyl)-beta-carboline-3-carboxylic acid ethyl ester (Zk 93423)
AID1301534	Displacement of [3H]-flumazenil from central-type benzodiazepine receptor in human cortical membrane after 90 mins by liquid-phase scintillation beta-counting method	2016	Journal of medicinal chemistry, Apr-14, Volume: 59, Issue:7	Design, Synthesis, and Biological Evaluation of Imidazo[1,5-a]quinoline as Highly Potent Ligands of Central Benzodiazepine Receptors.
AID73077	Binding affinity evaluated by ability to displace [3H]-Ro-15-1788 from recombinant human Gamma-aminobutyric acid A receptor alpha-2-beta-3-gamma-2 expressed in L(tk-)cells	2000	Bioorganic & medicinal chemistry letters, Jun-19, Volume: 10, Issue:12	N-(indol-3-ylglyoxylyl)piperidines: high affinity agonists of human GABA-A receptors containing the alpha1 subunit.
AID385592	Activity at human GABAA alpha-1-beta-2-gamma-2L receptor in HEK293 cells expressing as-PKCepsilon assessed as evoked current response by whole cell patch clamp method	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.
AID540210	Clearance in human after iv administration	2008	Drug metabolism and disposition: the biological fate of chemicals, Jul, Volume: 36, Issue:7	Trend analysis of a database of intravenous pharmacokinetic parameters in humans for 670 drug compounds.
AID385602	Activity of human GABA alpha-1-beta-2-gamma-2Lreceptor in HEK293 cells assessed as inactivation of current at 300 nM	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.
AID1346504	Human GABAA receptor alpha2 subunit (GABAA receptors)	1996	Molecular pharmacology, Feb, Volume: 49, Issue:2	Cloning of cDNAs encoding the human gamma-aminobutyric acid type A receptor alpha 6 subunit and characterization of the pharmacology of alpha 6-containing receptors.
AID1346496	Human GABAA receptor alpha3 subunit (GABAA receptors)	1996	Molecular pharmacology, Feb, Volume: 49, Issue:2	Cloning of cDNAs encoding the human gamma-aminobutyric acid type A receptor alpha 6 subunit and characterization of the pharmacology of alpha 6-containing receptors.
AID1346513	Human GABAA receptor alpha5 subunit (GABAA receptors)	1996	Molecular pharmacology, Feb, Volume: 49, Issue:2	Cloning of cDNAs encoding the human gamma-aminobutyric acid type A receptor alpha 6 subunit and characterization of the pharmacology of alpha 6-containing receptors.
AID1346520	Human GABAA receptor alpha1 subunit (GABAA receptors)	1996	Molecular pharmacology, Feb, Volume: 49, Issue:2	Cloning of cDNAs encoding the human gamma-aminobutyric acid type A receptor alpha 6 subunit and characterization of the pharmacology of alpha 6-containing receptors.
[information is prepared from bioassay data collected from National Library of Medicine (NLM), extracted Dec-2023]

Timeframe	Studies, This Drug (%)	All Drugs %
pre-1990	1287 (50.33)	18.7374
1990's	780 (30.50)	18.2507
2000's	341 (13.34)	29.6817
2010's	132 (5.16)	24.3611
2020's	17 (0.66)	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	298 (11.05%)	5.53%
Reviews	69 (2.56%)	6.00%
Case Studies	96 (3.56%)	4.05%
Observational	0 (0.00%)	0.25%
Other	2,234 (82.83%)	84.16%
[information is prepared from research data collected from National Library of Medicine (NLM), extracted Dec-2023]

Substance	Description	Relationhip Strength	Studies	Trials	Classes	Roles
ro 5-4864	[no description available]	medium	71	0
clonazepam	[no description available]	high	92	0	1,4-benzodiazepinone; monochlorobenzenes	anticonvulsant; anxiolytic drug; GABA modulator
nordazepam	[no description available]	high	20	1	1,4-benzodiazepinone; organochlorine compound	anticonvulsant; anxiolytic drug; GABA modulator; human metabolite; sedative
nordazepam	[no description available]	high	20	0	1,4-benzodiazepinone; organochlorine compound	anticonvulsant; anxiolytic drug; GABA modulator; human metabolite; sedative
diazepam	[no description available]	high	400	48	1,4-benzodiazepinone; organochlorine compound	anticonvulsant; anxiolytic drug; environmental contaminant; sedative; xenobiotic
diazepam	[no description available]	high	400	0	1,4-benzodiazepinone; organochlorine compound	anticonvulsant; anxiolytic drug; environmental contaminant; sedative; xenobiotic
fludiazepam	[no description available]	high	3	0	1,4-benzodiazepinone; organochlorine compound; organofluorine compound	anxiolytic drug
nimetazepam	[no description available]	high	7	0	1,4-benzodiazepinone; C-nitro compound	anticonvulsant; antispasmodic drug; GABA modulator; sedative
nitrazepam	[no description available]	high	67	11	1,4-benzodiazepinone; C-nitro compound	anticonvulsant; antispasmodic drug; drug metabolite; GABA modulator; sedative
nitrazepam	[no description available]	high	67	0	1,4-benzodiazepinone; C-nitro compound	anticonvulsant; antispasmodic drug; drug metabolite; GABA modulator; sedative
cm 7116	[no description available]	medium	6	0	benzodiazepine
chlordesmethyldiazepam	[no description available]	medium	6	0	benzodiazepine
n-desmethylflunitrazepam	[no description available]	medium	6	0
7-bromo-5-phenyl-1,2-dihydro-2h-1,4-benzodiazepin-2-one	[no description available]	medium	3	0
2-chlorodiazepam	[no description available]	medium	4	0
ro 5-3438	[no description available]	medium	7	0
n-desmethylflunitrazepam	[no description available]	medium	14	0
ro 05-4082	[no description available]	medium	5	0
7-methyl-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one	[no description available]	medium	2	0	benzodiazepine
cgs 15696	[no description available]	medium	1	0
carbazilquinone	[no description available]	medium	1	0	organic molecular entity
flurazepam	[no description available]	high	32	6	1,4-benzodiazepinone; monofluorobenzenes; organochlorine compound; tertiary amino compound	anticonvulsant; anxiolytic drug; GABAA receptor agonist; sedative
flurazepam	[no description available]	high	32	0	1,4-benzodiazepinone; monofluorobenzenes; organochlorine compound; tertiary amino compound	anticonvulsant; anxiolytic drug; GABAA receptor agonist; sedative
prazepam	[no description available]	medium	5	0	benzodiazepine
prazepam	[no description available]	medium	5	1	benzodiazepine
triaziquone	[no description available]	medium	1	0	1,4-benzoquinones; aziridines	alkylating agent; antineoplastic agent
2,5-dimethyl-3,6-diaziridinyl-1,4-benzoquinone	[no description available]	medium	1	0
l 365031	[no description available]	medium	1	0
devazepide	[no description available]	high	3	0	1,4-benzodiazepinone; indolecarboxamide	antineoplastic agent; apoptosis inducer; cholecystokinin antagonist; gastrointestinal drug
l 364373	[no description available]	medium	1	0	benzodiazepine
asperlicin	[no description available]	medium	1	0
benzylamine	[no description available]	medium	1	0	aralkylamine; primary amine	allergen; EC 3.5.5.1 (nitrilase) inhibitor; plant metabolite
4-methylbenzylamine	[no description available]	medium	1	0
4-fluorobenzylamine	[no description available]	medium	1	0
4-methoxybenzylamine	[no description available]	medium	1	0	aralkylamino compound; aromatic ether; primary amino compound
sancycline	[no description available]	medium	1	0
clioquinol	[no description available]	medium	2	0	monohydroxyquinoline; organochlorine compound; organoiodine compound	antibacterial agent; antifungal agent; antimicrobial agent; antineoplastic agent; antiprotozoal drug; chelator; copper chelator
lorazepam	[no description available]	medium	74	0	benzodiazepine
lorazepam	[no description available]	medium	74	25	benzodiazepine
oxazepam	[no description available]	high	32	3	1,4-benzodiazepinone; organochlorine compound	anxiolytic drug; environmental contaminant; xenobiotic
oxazepam	[no description available]	high	32	0	1,4-benzodiazepinone; organochlorine compound	anxiolytic drug; environmental contaminant; xenobiotic
temazepam	[no description available]	medium	17	0	benzodiazepine
temazepam	[no description available]	medium	17	7	benzodiazepine
halazepam	[no description available]	medium	3	0	organic molecular entity
7-aminonitrazepam	[no description available]	medium	3	0	benzodiazepine
ro 20-1815	[no description available]	medium	43	0	benzodiazepine
ro 20-1815	[no description available]	medium	43	1	benzodiazepine
7-aminoclonazepam	[no description available]	medium	6	0	benzodiazepine
meclonazepam	[no description available]	medium	2	0
ro 11-6893	[no description available]	medium	3	0
zolpidem	[no description available]	high	71	11	imidazopyridine	central nervous system depressant; GABA agonist; sedative
zolpidem	[no description available]	high	71	0	imidazopyridine	central nervous system depressant; GABA agonist; sedative
abecarnil	[no description available]	medium	5	0
methyl 6,7-dimethoxy-4-ethyl-beta-carboline-3-carboxylate	[no description available]	medium	27	0	beta-carbolines
beta-carboline-3-carboxylic acid ethyl ester	[no description available]	medium	52	0	beta-carbolines
cl 218872	[no description available]	medium	69	0	pyridazines; ring assembly
zk 93423	[no description available]	medium	2	0	beta-carbolines
3-ethoxy-beta-carboline	[no description available]	medium	3	0
tert-butyl beta-carboline-3-carboxylate	[no description available]	medium	4	0
3-propoxy-beta-carboline	[no description available]	medium	4	0
flumazenil	[no description available]	medium	192	0	ethyl ester; imidazobenzodiazepine; organofluorine compound	antidote to benzodiazepine poisoning; GABA antagonist
flumazenil	[no description available]	medium	192	25	ethyl ester; imidazobenzodiazepine; organofluorine compound	antidote to benzodiazepine poisoning; GABA antagonist
ro 15-4513	[no description available]	medium	44	0	organic heterotricyclic compound; organonitrogen heterocyclic compound
triazolam	[no description available]	high	67	23	triazolobenzodiazepine	sedative
triazolam	[no description available]	high	67	0	triazolobenzodiazepine	sedative
2-phenylpyrazolo(4,3-c)quinolin-3(5h)-one	[no description available]	medium	14	0
bretazenil	[no description available]	medium	7	0
ro 15-3505	[no description available]	medium	2	0
ro 14-7437	[no description available]	medium	3	0
l 663581	[no description available]	medium	2	0
zg 63	[no description available]	medium	1	0
l 655,708	[no description available]	medium	1	0
ry 80	[no description available]	medium	1	0
qh-ii-66	[no description available]	medium	3	0
ry 024	[no description available]	medium	2	0
pwz-029	[no description available]	medium	2	0
coumarin	[no description available]	medium	1	0	coumarins	fluorescent dye; human metabolite; plant metabolite
salicylic acid	[no description available]	medium	3	0	monohydroxybenzoic acid	algal metabolite; antifungal agent; antiinfective agent; EC 1.11.1.11 (L-ascorbate peroxidase) inhibitor; keratolytic drug; plant hormone; plant metabolite
phenytoin	[no description available]	medium	13	0	imidazolidine-2,4-dione	anticonvulsant; drug allergen; sodium channel blocker; teratogenic agent
tacrine	[no description available]	medium	4	0	acridines; aromatic amine	EC 3.1.1.7 (acetylcholinesterase) inhibitor
acebutolol	[no description available]	medium	4	0	aromatic amide; ethanolamines; ether; monocarboxylic acid amide; propanolamine; secondary amino compound	anti-arrhythmia drug; antihypertensive agent; beta-adrenergic antagonist; sympathomimetic agent
acetaminophen	[no description available]	medium	4	0	acetamides; phenols	antipyretic; cyclooxygenase 1 inhibitor; cyclooxygenase 2 inhibitor; cyclooxygenase 3 inhibitor; environmental contaminant; ferroptosis inducer; geroprotector; hepatotoxic agent; human blood serum metabolite; non-narcotic analgesic; non-steroidal anti-inflammatory drug; xenobiotic
albuterol	[no description available]	medium	3	0	phenols; phenylethanolamines; secondary amino compound	beta-adrenergic agonist; bronchodilator agent; environmental contaminant; xenobiotic
alprazolam	[no description available]	high	20	0	organochlorine compound; triazolobenzodiazepine	anticonvulsant; anxiolytic drug; GABA agonist; muscle relaxant; sedative; xenobiotic
alprenolol	[no description available]	medium	3	0	secondary alcohol; secondary amino compound	anti-arrhythmia drug; antihypertensive agent; beta-adrenergic antagonist; sympatholytic agent
amantadine	[no description available]	medium	4	0	adamantanes; primary aliphatic amine	analgesic; antiparkinson drug; antiviral drug; dopaminergic agent; NMDA receptor antagonist; non-narcotic analgesic
theophylline	[no description available]	medium	7	0	dimethylxanthine	adenosine receptor antagonist; anti-asthmatic drug; anti-inflammatory agent; bronchodilator agent; drug metabolite; EC 3.1.4.* (phosphoric diester hydrolase) inhibitor; fungal metabolite; human blood serum metabolite; immunomodulator; muscle relaxant; vasodilator agent
amiodarone	[no description available]	medium	5	0	1-benzofurans; aromatic ketone; organoiodine compound; tertiary amino compound	cardiovascular drug
amitriptyline	[no description available]	medium	11	0	carbotricyclic compound; tertiary amine	adrenergic uptake inhibitor; antidepressant; environmental contaminant; tropomyosin-related kinase B receptor agonist; xenobiotic
amlodipine	[no description available]	medium	3	0	dihydropyridine; ethyl ester; methyl ester; monochlorobenzenes; primary amino compound	antihypertensive agent; calcium channel blocker; vasodilator agent
amobarbital	[no description available]	medium	3	0	barbiturates
amobarbital	[no description available]	medium	3	1	barbiturates
aspirin	[no description available]	medium	3	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	3	0	ethanolamines; monocarboxylic acid amide; propanolamine	anti-arrhythmia drug; antihypertensive agent; beta-adrenergic antagonist; environmental contaminant; sympatholytic agent; xenobiotic
bepridil	[no description available]	medium	2	0	pyrrolidines; tertiary amine	anti-arrhythmia drug; antihypertensive agent; calcium channel blocker; vasodilator agent
bepridil	[no description available]	medium	2	1	pyrrolidines; tertiary amine	anti-arrhythmia drug; antihypertensive agent; calcium channel blocker; vasodilator agent
betaxolol	[no description available]	medium	2	0	propanolamine	antihypertensive agent; beta-adrenergic antagonist; sympatholytic agent
bevantolol	[no description available]	medium	2	0	propanolamine	anti-arrhythmia drug; antihypertensive agent; beta-adrenergic antagonist; calcium channel blocker
bisoprolol	[no description available]	medium	3	0	secondary alcohol; secondary amine	anti-arrhythmia drug; antihypertensive agent; beta-adrenergic antagonist; sympatholytic agent
brotizolam	[no description available]	medium	15	0	organic molecular entity
brotizolam	[no description available]	medium	15	3	organic molecular entity
bumetanide	[no description available]	medium	3	0	amino acid; benzoic acids; sulfonamide	diuretic; EC 3.6.3.49 (channel-conductance-controlling ATPase) inhibitor
caffeine	[no description available]	medium	12	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	5	0	aromatic ether; nitrile; polyether; tertiary amino compound
carbamazepine	[no description available]	medium	7	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
carteolol	[no description available]	medium	2	0	quinolone; secondary alcohol	anti-arrhythmia drug; antiglaucoma drug; antihypertensive agent; beta-adrenergic antagonist; sympatholytic agent
carvedilol	[no description available]	medium	3	0	carbazoles; secondary alcohol; secondary amino compound	alpha-adrenergic antagonist; antihypertensive agent; beta-adrenergic antagonist; cardiovascular drug; vasodilator agent
chlorambucil	[no description available]	medium	3	0	aromatic amine; monocarboxylic acid; nitrogen mustard; organochlorine compound; tertiary amino compound	alkylating agent; antineoplastic agent; carcinogenic agent; drug allergen; immunosuppressive agent
chlordiazepoxide	[no description available]	medium	34	0	benzodiazepine
chloroquine	[no description available]	medium	4	0	aminoquinoline; organochlorine compound; secondary amino compound; tertiary amino compound	anticoronaviral agent; antimalarial; antirheumatic drug; autophagy inhibitor; dermatologic drug
chlorothiazide	[no description available]	medium	1	0	benzothiadiazine	antihypertensive agent; diuretic
chlorpheniramine	[no description available]	medium	3	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	11	0	organochlorine compound; phenothiazines; tertiary amine	anticoronaviral agent; antiemetic; dopaminergic antagonist; EC 3.4.21.26 (prolyl oligopeptidase) inhibitor; phenothiazine antipsychotic drug
chlorpropamide	[no description available]	medium	3	0	monochlorobenzenes; N-sulfonylurea	hypoglycemic agent; insulin secretagogue
chlorthalidone	[no description available]	medium	2	0	isoindoles; monochlorobenzenes; sulfonamide
cifenline	[no description available]	medium	2	0	diarylmethane
cimetidine	[no description available]	medium	6	0	aliphatic sulfide; guanidines; imidazoles; nitrile	adjuvant; analgesic; anti-ulcer drug; H2-receptor antagonist; P450 inhibitor
cisapride	[no description available]	medium	3	0	benzamides
citalopram	[no description available]	medium	7	0	2-benzofurans; cyclic ether; nitrile; organofluorine compound; tertiary amino compound
clobazam	[no description available]	high	7	0	1,4-benzodiazepinone; organochlorine compound	anticonvulsant; anxiolytic drug; GABA modulator
clomipramine	[no description available]	medium	9	0	dibenzoazepine	anticoronaviral agent; antidepressant; EC 1.8.1.12 (trypanothione-disulfide reductase) inhibitor; serotonergic antagonist; serotonergic drug; serotonin uptake inhibitor
clonidine	[no description available]	medium	19	0	clonidine; imidazoline
clonidine	[no description available]	medium	19	7	clonidine; imidazoline
desipramine	[no description available]	medium	8	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
diazoxide	[no description available]	medium	3	0	benzothiadiazine; organochlorine compound; sulfone	antihypertensive agent; beta-adrenergic agonist; bronchodilator agent; cardiotonic drug; diuretic; K-ATP channel agonist; sodium channel blocker; sympathomimetic agent; vasodilator agent
diclofenac	[no description available]	medium	5	0	amino acid; aromatic amine; dichlorobenzene; monocarboxylic acid; secondary amino compound	antipyretic; drug allergen; EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor; environmental contaminant; non-narcotic analgesic; non-steroidal anti-inflammatory drug; xenobiotic
diflunisal	[no description available]	medium	5	0	monohydroxybenzoic acid; organofluorine compound	non-narcotic analgesic; non-steroidal anti-inflammatory drug
diphenhydramine	[no description available]	high	5	1	ether; tertiary amino compound	anti-allergic agent; antidyskinesia agent; antiemetic; antiparkinson drug; antipruritic drug; antitussive; H1-receptor antagonist; local anaesthetic; muscarinic antagonist; oneirogen; sedative
diphenhydramine	[no description available]	high	5	0	ether; tertiary amino compound	anti-allergic agent; antidyskinesia agent; antiemetic; antiparkinson drug; antipruritic drug; antitussive; H1-receptor antagonist; local anaesthetic; muscarinic antagonist; oneirogen; sedative
disopyramide	[no description available]	medium	3	0	monocarboxylic acid amide; pyridines; tertiary amino compound	anti-arrhythmia drug
valproic acid	[no description available]	medium	8	0	branched-chain fatty acid; branched-chain saturated fatty acid	anticonvulsant; antimanic drug; EC 3.5.1.98 (histone deacetylase) inhibitor; GABA agent; neuroprotective agent; psychotropic drug; teratogenic agent
domperidone	[no description available]	medium	4	0	benzimidazoles; heteroarylpiperidine	antiemetic; dopaminergic antagonist
doxazosin	[no description available]	medium	2	0	aromatic amine; benzodioxine; monocarboxylic acid amide; N-acylpiperazine; N-arylpiperazine; quinazolines	alpha-adrenergic antagonist; antihyperplasia drug; antihypertensive agent; antineoplastic agent; vasodilator agent
doxepin	[no description available]	medium	5	0	dibenzooxepine; tertiary amino compound	antidepressant
ethosuximide	[no description available]	medium	1	0	dicarboximide; pyrrolidinone	anticonvulsant; geroprotector; T-type calcium channel blocker
etilefrine	[no description available]	medium	2	0	phenols
etodolac	[no description available]	medium	2	0	monocarboxylic acid; organic heterotricyclic compound	antipyretic; cyclooxygenase 2 inhibitor; non-narcotic analgesic; non-steroidal anti-inflammatory drug
felodipine	[no description available]	medium	4	0	dichlorobenzene; dihydropyridine; ethyl ester; methyl ester	anti-arrhythmia drug; antihypertensive agent; calcium channel blocker; vasodilator agent
fenfluramine	[no description available]	medium	1	0	(trifluoromethyl)benzenes; secondary amino compound	appetite depressant; serotonergic agonist; serotonin uptake inhibitor
berotek	[no description available]	medium	2	0	resorcinols; secondary alcohol; secondary amino compound	beta-adrenergic agonist; bronchodilator agent; sympathomimetic agent; tocolytic agent
flecainide	[no description available]	medium	3	0	aromatic ether; monocarboxylic acid amide; organofluorine compound; piperidines	anti-arrhythmia drug
fluconazole	[no description available]	medium	4	0	conazole antifungal drug; difluorobenzene; tertiary alcohol; triazole antifungal drug	environmental contaminant; P450 inhibitor; xenobiotic
flucytosine	[no description available]	medium	3	0	aminopyrimidine; nucleoside analogue; organofluorine compound; pyrimidine antifungal drug; pyrimidone	prodrug
fluorouracil	[no description available]	medium	3	0	nucleobase analogue; organofluorine compound	antimetabolite; antineoplastic agent; environmental contaminant; immunosuppressive agent; radiosensitizing agent; xenobiotic
fluoxetine	[no description available]	medium	7	0	(trifluoromethyl)benzenes; aromatic ether; secondary amino compound
flurbiprofen	[no description available]	medium	3	0	fluorobiphenyl; monocarboxylic acid	antipyretic; EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor; non-narcotic analgesic; non-steroidal anti-inflammatory drug
furosemide	[no description available]	medium	6	0	chlorobenzoic acid; furans; sulfonamide	environmental contaminant; loop diuretic; xenobiotic
gemfibrozil	[no description available]	medium	2	0	aromatic ether	antilipemic drug
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	3	0	monochlorobenzenes; N-sulfonylurea	anti-arrhythmia drug; EC 2.7.1.33 (pantothenate kinase) inhibitor; EC 3.6.3.49 (channel-conductance-controlling ATPase) inhibitor; hypoglycemic agent
haloperidol	[no description available]	medium	26	0	aromatic ketone; hydroxypiperidine; monochlorobenzenes; organofluorine compound; tertiary alcohol	antidyskinesia agent; antiemetic; dopaminergic antagonist; first generation antipsychotic; serotonergic antagonist
haloperidol	[no description available]	medium	26	5	aromatic ketone; hydroxypiperidine; monochlorobenzenes; organofluorine compound; tertiary alcohol	antidyskinesia agent; antiemetic; dopaminergic antagonist; first generation antipsychotic; serotonergic antagonist
hexobarbital	[no description available]	medium	6	0	barbiturates
hydralazine	[no description available]	medium	3	0	azaarene; hydrazines; ortho-fused heteroarene; phthalazines	antihypertensive agent; vasodilator agent
hydrochlorothiazide	[no description available]	medium	2	0	benzothiadiazine; organochlorine compound; sulfonamide	antihypertensive agent; diuretic; environmental contaminant; xenobiotic
ibuprofen	[no description available]	medium	5	0	monocarboxylic acid	antipyretic; cyclooxygenase 1 inhibitor; cyclooxygenase 2 inhibitor; drug allergen; environmental contaminant; geroprotector; non-narcotic analgesic; non-steroidal anti-inflammatory drug; radical scavenger; xenobiotic
lidocaine	[no description available]	medium	15	0	benzenes; monocarboxylic acid amide; tertiary amino compound	anti-arrhythmia drug; drug allergen; environmental contaminant; local anaesthetic; xenobiotic
lidocaine	[no description available]	medium	15	1	benzenes; monocarboxylic acid amide; tertiary amino compound	anti-arrhythmia drug; drug allergen; environmental contaminant; local anaesthetic; xenobiotic
imipramine	[no description available]	medium	9	0	dibenzoazepine	adrenergic uptake inhibitor; antidepressant; EC 3.4.21.26 (prolyl oligopeptidase) inhibitor
amrinone	[no description available]	medium	3	0	bipyridines	EC 3.1.4.* (phosphoric diester hydrolase) inhibitor
indomethacin	[no description available]	medium	5	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
isoniazid	[no description available]	medium	7	0	carbohydrazide	antitubercular agent; drug allergen
isoproterenol	[no description available]	medium	4	0	catechols; secondary alcohol; secondary amino compound	beta-adrenergic agonist; bronchodilator agent; cardiotonic drug; sympathomimetic agent
isradipine	[no description available]	medium	3	0	benzoxadiazole; dihydropyridine; isopropyl ester; methyl ester
ketamine	[no description available]	medium	66	0	cyclohexanones; monochlorobenzenes; secondary amino compound	analgesic; environmental contaminant; intravenous anaesthetic; neurotoxin; NMDA receptor antagonist; xenobiotic
ketamine	[no description available]	medium	66	7	cyclohexanones; monochlorobenzenes; secondary amino compound	analgesic; environmental contaminant; intravenous anaesthetic; neurotoxin; NMDA receptor antagonist; xenobiotic
ketoprofen	[no description available]	medium	4	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
ketorolac	[no description available]	medium	3	0	amino acid; aromatic ketone; monocarboxylic acid; pyrrolizines; racemate	analgesic; cyclooxygenase 1 inhibitor; cyclooxygenase 2 inhibitor; non-steroidal anti-inflammatory drug
labetalol	[no description available]	medium	3	0	benzamides; benzenes; phenols; primary carboxamide; salicylamides; secondary alcohol; secondary amino compound
lamotrigine	[no description available]	medium	3	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	3	0	benzimidazoles; pyridines; sulfoxide	anti-ulcer drug; EC 3.6.3.10 (H(+)/K(+)-exchanging ATPase) inhibitor
lofepramine	[no description available]	medium	2	0	aromatic ketone; dibenzoazepine; monochlorobenzenes; tertiary amino compound	antidepressant
mabuterol	[no description available]	medium	1	0	(trifluoromethyl)benzenes
maprotiline	[no description available]	medium	5	0	anthracenes
mebendazole	[no description available]	medium	3	0	aromatic ketone; benzimidazoles; carbamate ester	antinematodal drug; microtubule-destabilising agent; tubulin modulator
meperidine	[no description available]	medium	18	0	ethyl ester; piperidinecarboxylate ester; tertiary amino compound	antispasmodic drug; kappa-opioid receptor agonist; mu-opioid receptor agonist; opioid analgesic
meperidine	[no description available]	medium	18	10	ethyl ester; piperidinecarboxylate ester; tertiary amino compound	antispasmodic drug; kappa-opioid receptor agonist; mu-opioid receptor agonist; opioid analgesic
metaproterenol	[no description available]	medium	1	0	aralkylamino compound; phenylethanolamines; resorcinols; secondary alcohol; secondary amino compound
methadone	[no description available]	medium	19	0	benzenes; diarylmethane; ketone; tertiary amino compound
methadone	[no description available]	medium	19	2	benzenes; diarylmethane; ketone; tertiary amino compound
metoclopramide	[no description available]	medium	4	0	benzamides; monochlorobenzenes; substituted aniline; tertiary amino compound	antiemetic; dopaminergic antagonist; environmental contaminant; gastrointestinal drug; xenobiotic
metoprolol	[no description available]	medium	3	0	aromatic ether; propanolamine; secondary alcohol; secondary amino compound	antihypertensive agent; beta-adrenergic antagonist; environmental contaminant; geroprotector; xenobiotic
metronidazole	[no description available]	medium	3	0	C-nitro compound; imidazoles; primary alcohol	antiamoebic agent; antibacterial drug; antimicrobial agent; antiparasitic agent; antitrichomonal drug; environmental contaminant; prodrug; radiosensitizing agent; xenobiotic
mexiletine	[no description available]	medium	2	0	aromatic ether; primary amino compound	anti-arrhythmia drug
mianserin	[no description available]	high	3	0	dibenzoazepine	adrenergic uptake inhibitor; alpha-adrenergic antagonist; antidepressant; EC 3.4.21.26 (prolyl oligopeptidase) inhibitor; geroprotector; H1-receptor antagonist; histamine agonist; sedative; serotonergic antagonist
midazolam	[no description available]	high	85	23	imidazobenzodiazepine; monofluorobenzenes; organochlorine compound	anticonvulsant; antineoplastic agent; anxiolytic drug; apoptosis inducer; central nervous system depressant; GABAA receptor agonist; general anaesthetic; muscle relaxant; sedative
midazolam	[no description available]	high	85	0	imidazobenzodiazepine; monofluorobenzenes; organochlorine compound	anticonvulsant; antineoplastic agent; anxiolytic drug; apoptosis inducer; central nervous system depressant; GABAA receptor agonist; general anaesthetic; muscle relaxant; sedative
milrinone	[no description available]	medium	2	0	bipyridines; nitrile; pyridone	cardiotonic drug; EC 3.1.4.17 (3',5'-cyclic-nucleotide phosphodiesterase) inhibitor; platelet aggregation inhibitor; vasodilator agent
mirtazapine	[no description available]	medium	4	0	benzazepine; tetracyclic antidepressant	alpha-adrenergic antagonist; anxiolytic drug; H1-receptor antagonist; histamine antagonist; oneirogen; serotonergic antagonist
moclobemide	[no description available]	medium	3	0	benzamides; monochlorobenzenes; morpholines	antidepressant; environmental contaminant; xenobiotic
nabumetone	[no description available]	medium	2	0	methoxynaphthalene; methyl ketone	cyclooxygenase 2 inhibitor; non-narcotic analgesic; non-steroidal anti-inflammatory drug; prodrug
nevirapine	[no description available]	medium	3	0	cyclopropanes; dipyridodiazepine	antiviral drug; HIV-1 reverse transcriptase inhibitor
nicardipine	[no description available]	medium	2	0	benzenes; C-nitro compound; diester; dihydropyridine; methyl ester; tertiary amino compound
nifedipine	[no description available]	high	5	0	C-nitro compound; dihydropyridine; methyl ester	calcium channel blocker; human metabolite; tocolytic agent; vasodilator agent
nilvadipine	[no description available]	medium	1	0	dihydropyridine; isopropyl ester; methyl ester; nitrile
nimodipine	[no description available]	high	4	0	2-methoxyethyl ester; C-nitro compound; dicarboxylic acids and O-substituted derivatives; diester; dihydropyridine; isopropyl ester	antihypertensive agent; calcium channel blocker; cardiovascular drug; vasodilator agent
nisoldipine	[no description available]	medium	3	0	C-nitro compound; dicarboxylic acids and O-substituted derivatives; diester; dihydropyridine; methyl ester
nitrendipine	[no description available]	medium	3	0	C-nitro compound; dicarboxylic acids and O-substituted derivatives; diester; dihydropyridine; ethyl ester; methyl ester	antihypertensive agent; calcium channel blocker; geroprotector; vasodilator agent
nizatidine	[no description available]	medium	3	0	1,3-thiazoles; C-nitro compound; carboxamidine; organic sulfide; tertiary amino compound	anti-ulcer drug; cholinergic drug; H2-receptor antagonist
nortriptyline	[no description available]	medium	6	0	organic tricyclic compound; secondary amine	adrenergic uptake inhibitor; analgesic; antidepressant; antineoplastic agent; apoptosis inducer; drug metabolite
omeprazole	[no description available]	medium	7	0	aromatic ether; benzimidazoles; pyridines; sulfoxide
ondansetron	[no description available]	medium	5	0	carbazoles
oxaprozin	[no description available]	medium	2	0	1,3-oxazoles; monocarboxylic acid	analgesic; non-steroidal anti-inflammatory drug
oxprenolol	[no description available]	medium	2	0	aromatic ether
pentoxifylline	[no description available]	medium	4	0	oxopurine
perphenazine	[no description available]	medium	3	0	N-(2-hydroxyethyl)piperazine; N-alkylpiperazine; organochlorine compound; phenothiazines	antiemetic; dopaminergic antagonist; phenothiazine antipsychotic drug
phenobarbital	[no description available]	high	30	3	barbiturates	anticonvulsant; drug allergen; excitatory amino acid antagonist; sedative
phenobarbital	[no description available]	high	30	0	barbiturates	anticonvulsant; drug allergen; excitatory amino acid antagonist; sedative
phenolphthalein	[no description available]	medium	2	0	phenols
phenylbutazone	[no description available]	medium	3	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
pindolol	[no description available]	medium	5	0	indoles; secondary amine	antiglaucoma drug; antihypertensive agent; beta-adrenergic antagonist; serotonergic antagonist; vasodilator agent
pirenzepine	[no description available]	medium	2	0	pyridobenzodiazepine	anti-ulcer drug; antispasmodic drug; muscarinic antagonist
prazosin	[no description available]	medium	9	0	aromatic ether; furans; monocarboxylic acid amide; piperazines; quinazolines	alpha-adrenergic antagonist; antihypertensive agent; EC 3.4.21.26 (prolyl oligopeptidase) inhibitor
primaquine	[no description available]	medium	3	0	aminoquinoline; aromatic ether; N-substituted diamine	antimalarial
primidone	[no description available]	medium	3	0	pyrimidone	anticonvulsant; environmental contaminant; xenobiotic
probenecid	[no description available]	medium	4	0	benzoic acids; sulfonamide	uricosuric drug
probucol	[no description available]	medium	2	0	dithioketal; polyphenol	anti-inflammatory drug; anticholesteremic drug; antilipemic drug; antioxidant; cardiovascular drug
procainamide	[no description available]	medium	3	0	benzamides	anti-arrhythmia drug; platelet aggregation inhibitor; sodium channel blocker
prochlorperazine	[no description available]	medium	3	0	N-alkylpiperazine; N-methylpiperazine; organochlorine compound; phenothiazines	alpha-adrenergic antagonist; antiemetic; cholinergic antagonist; dopamine receptor D2 antagonist; dopaminergic antagonist; EC 3.4.21.26 (prolyl oligopeptidase) inhibitor; first generation antipsychotic
procyclidine	[no description available]	medium	2	0	pyrrolidines; tertiary alcohol	antidyskinesia agent; antiparkinson drug; muscarinic antagonist
promethazine	[no description available]	high	9	3	phenothiazines; tertiary amine	anti-allergic agent; anticoronaviral agent; antiemetic; antipruritic drug; H1-receptor antagonist; local anaesthetic; sedative
promethazine	[no description available]	high	9	0	phenothiazines; tertiary amine	anti-allergic agent; anticoronaviral agent; antiemetic; antipruritic drug; H1-receptor antagonist; local anaesthetic; sedative
propafenone	[no description available]	medium	2	0	aromatic ketone; secondary alcohol; secondary amino compound	anti-arrhythmia drug
propranolol	[no description available]	high	6	0	naphthalenes; propanolamine; secondary amine	anti-arrhythmia drug; antihypertensive agent; anxiolytic drug; beta-adrenergic antagonist; environmental contaminant; human blood serum metabolite; vasodilator agent; xenobiotic
protriptyline	[no description available]	medium	1	0	carbotricyclic compound	antidepressant
raloxifene	[no description available]	medium	1	0	1-benzothiophenes; aromatic ketone; N-oxyethylpiperidine; phenols	bone density conservation agent; estrogen antagonist; estrogen receptor modulator
ranitidine	[no description available]	medium	3	0	aralkylamine
riluzole	[no description available]	medium	3	0	benzothiazoles
risperidone	[no description available]	medium	4	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
sulfadiazine	[no description available]	medium	3	0	pyrimidines; substituted aniline; sulfonamide antibiotic; sulfonamide	antiinfective agent; antimicrobial agent; antiprotozoal drug; coccidiostat; drug allergen; EC 1.1.1.153 [sepiapterin reductase (L-erythro-7,8-dihydrobiopterin forming)] inhibitor; EC 2.5.1.15 (dihydropteroate synthase) inhibitor; environmental contaminant; xenobiotic
sulfamethoxazole	[no description available]	medium	3	0	isoxazoles; substituted aniline; sulfonamide antibiotic; sulfonamide	antibacterial agent; antiinfective agent; antimicrobial agent; drug allergen; EC 1.1.1.153 [sepiapterin reductase (L-erythro-7,8-dihydrobiopterin forming)] inhibitor; EC 2.5.1.15 (dihydropteroate synthase) inhibitor; environmental contaminant; epitope; P450 inhibitor; xenobiotic
sulfinpyrazone	[no description available]	medium	4	0	pyrazolidines; sulfoxide	uricosuric drug
sulfisoxazole	[no description available]	medium	3	0	isoxazoles; sulfonamide antibiotic; sulfonamide	antibacterial drug; drug allergen
sulpiride	[no description available]	medium	6	0	benzamides; N-alkylpyrrolidine; sulfonamide	antidepressant; antiemetic; antipsychotic agent; dopaminergic antagonist
sulpiride	[no description available]	medium	6	1	benzamides; N-alkylpyrrolidine; sulfonamide	antidepressant; antiemetic; antipsychotic agent; dopaminergic antagonist
sumatriptan	[no description available]	medium	3	0	sulfonamide; tryptamines	serotonergic agonist; vasoconstrictor agent
terazosin	[no description available]	medium	2	0	furans; piperazines; primary amino compound; quinazolines	alpha-adrenergic antagonist; antihypertensive agent; antineoplastic agent
terbutaline	[no description available]	medium	3	0	phenylethanolamines; resorcinols	anti-asthmatic drug; beta-adrenergic agonist; bronchodilator agent; EC 3.1.1.7 (acetylcholinesterase) inhibitor; hypoglycemic agent; sympathomimetic agent; tocolytic agent
thioridazine	[no description available]	medium	3	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
tizanidine	[no description available]	medium	4	0	benzothiadiazole; imidazoles	alpha-adrenergic agonist; muscle relaxant
tolbutamide	[no description available]	medium	3	0	N-sulfonylurea	human metabolite; hypoglycemic agent; insulin secretagogue; potassium channel blocker
tolmetin	[no description available]	medium	1	0	aromatic ketone; monocarboxylic acid; pyrroles	EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor; non-steroidal anti-inflammatory drug
ultram	[no description available]	medium	4	0	aromatic ether; tertiary alcohol; tertiary amino compound
trazodone	[no description available]	high	7	2	monochlorobenzenes; N-alkylpiperazine; N-arylpiperazine; triazolopyridine	adrenergic antagonist; antidepressant; anxiolytic drug; H1-receptor antagonist; sedative; serotonin uptake inhibitor
trazodone	[no description available]	high	7	0	monochlorobenzenes; N-alkylpiperazine; N-arylpiperazine; triazolopyridine	adrenergic antagonist; antidepressant; anxiolytic drug; H1-receptor antagonist; sedative; serotonin uptake inhibitor
triamterene	[no description available]	medium	2	0	pteridines	diuretic; sodium channel blocker
trimethoprim	[no description available]	medium	3	0	aminopyrimidine; methoxybenzenes	antibacterial drug; diuretic; drug allergen; EC 1.5.1.3 (dihydrofolate reductase) inhibitor; environmental contaminant; xenobiotic
urapidil	[no description available]	medium	2	0	piperazines
venlafaxine	[no description available]	medium	5	0	cyclohexanols; monomethoxybenzene; tertiary alcohol; tertiary amino compound	adrenergic uptake inhibitor; analgesic; antidepressant; dopamine uptake inhibitor; environmental contaminant; serotonin uptake inhibitor; xenobiotic
prednisolone	[no description available]	medium	4	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
spironolactone	[no description available]	medium	2	0	3-oxo-Delta(4) steroid; oxaspiro compound; steroid lactone; thioester	aldosterone antagonist; antihypertensive agent; diuretic; environmental contaminant; xenobiotic
prednisone	[no description available]	medium	3	0	11-oxo steroid; 17alpha-hydroxy steroid; 20-oxo steroid; 21-hydroxy steroid; 3-oxo-Delta(1),Delta(4)-steroid; C21-steroid; glucocorticoid; primary alpha-hydroxy ketone; tertiary alpha-hydroxy ketone	adrenergic agent; anti-inflammatory drug; antineoplastic agent; immunosuppressive agent; prodrug
chloramphenicol	[no description available]	medium	4	0	C-nitro compound; carboxamide; diol; organochlorine compound	antibacterial drug; antimicrobial agent; Escherichia coli metabolite; geroprotector; Mycoplasma genitalium metabolite; protein synthesis inhibitor
ethinyl estradiol	[no description available]	medium	4	0	17-hydroxy steroid; 3-hydroxy steroid; terminal acetylenic compound	xenoestrogen
phenylephrine	[no description available]	medium	3	0	phenols; phenylethanolamines; secondary amino compound	alpha-adrenergic agonist; cardiotonic drug; mydriatic agent; nasal decongestant; protective agent; sympathomimetic agent; vasoconstrictor agent
phenylephrine	[no description available]	medium	3	1	phenols; phenylethanolamines; secondary amino compound	alpha-adrenergic agonist; cardiotonic drug; mydriatic agent; nasal decongestant; protective agent; sympathomimetic agent; vasoconstrictor agent
oxacillin	[no description available]	medium	2	0	penicillin	antibacterial agent; antibacterial drug
norethindrone	[no description available]	medium	2	0	17beta-hydroxy steroid; 3-oxo-Delta(4) steroid; terminal acetylenic compound; tertiary alcohol	progestin; synthetic oral contraceptive
methylprednisolone	[no description available]	medium	4	0	6-methylprednisolone; primary alpha-hydroxy ketone; tertiary alpha-hydroxy ketone	adrenergic agent; anti-inflammatory drug; antiemetic; environmental contaminant; neuroprotective agent; xenobiotic
nafcillin	[no description available]	medium	2	0	penicillin allergen; penicillin	antibacterial drug
betamethasone	[no description available]	medium	3	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
dextropropoxyphene	[no description available]	medium	9	0	1-benzyl-3-(dimethylamino)-2-methyl-1-phenylpropyl propanoate	mu-opioid receptor agonist; opioid analgesic
chlormethiazole	[no description available]	medium	8	0	thiazoles
chlormethiazole	[no description available]	medium	8	1	thiazoles
ethambutol	[no description available]	medium	2	0	ethanolamines; ethylenediamine derivative	antitubercular agent; environmental contaminant; xenobiotic
dronabinol	[no description available]	medium	12	0	benzochromene; diterpenoid; phytocannabinoid; polyketide	cannabinoid receptor agonist; epitope; hallucinogen; metabolite; non-narcotic analgesic
dronabinol	[no description available]	medium	12	1	benzochromene; diterpenoid; phytocannabinoid; polyketide	cannabinoid receptor agonist; epitope; hallucinogen; metabolite; non-narcotic analgesic
amiloride	[no description available]	medium	2	0	aromatic amine; guanidines; organochlorine compound; pyrazines	diuretic; sodium channel blocker
pimozide	[no description available]	medium	4	0	benzimidazoles; heteroarylpiperidine; organofluorine compound	antidyskinesia agent; dopaminergic antagonist; first generation antipsychotic; H1-receptor antagonist; serotonergic antagonist
dicloxacillin	[no description available]	medium	2	0	dichlorobenzene; penicillin	antibacterial drug
zalcitabine	[no description available]	medium	3	0	pyrimidine 2',3'-dideoxyribonucleoside	antimetabolite; antiviral drug; HIV-1 reverse transcriptase inhibitor
selegiline	[no description available]	medium	3	0	selegiline; terminal acetylenic compound	geroprotector
clemastine	[no description available]	medium	1	0	monochlorobenzenes; N-alkylpyrrolidine	anti-allergic agent; antipruritic drug; H1-receptor antagonist; muscarinic antagonist
du-21220	[no description available]	medium	2	0	benzyl alcohols; polyphenol; secondary alcohol; secondary amino compound
timolol	[no description available]	medium	3	0	timolol	anti-arrhythmia drug; antiglaucoma drug; antihypertensive agent; beta-adrenergic antagonist
indoramin	[no description available]	medium	2	0	tryptamines
moricizine	[no description available]	medium	1	0	carbamate ester; morpholines; phenothiazines	anti-arrhythmia drug
zidovudine	[no description available]	medium	5	0	azide; pyrimidine 2',3'-dideoxyribonucleoside	antimetabolite; antiviral drug; HIV-1 reverse transcriptase inhibitor
medifoxamine	[no description available]	medium	1	0	aromatic ether
dobutamine	[no description available]	medium	2	0	catecholamine; secondary amine	beta-adrenergic agonist; cardiotonic drug; sympathomimetic agent
penbutolol	[no description available]	medium	1	0	ethanolamines
tocainide	[no description available]	medium	2	0	monocarboxylic acid amide	anti-arrhythmia drug; local anaesthetic; sodium channel blocker
sq-11725	[no description available]	medium	3	0
diltiazem	[no description available]	medium	6	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
diltiazem	[no description available]	medium	6	2	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
meptazinol	[no description available]	medium	3	0	azepanes
prenalterol	[no description available]	medium	1	0	aromatic ether
lorcainide	[no description available]	medium	2	0	acetamides
paroxetine	[no description available]	high	7	0	aromatic ether; benzodioxoles; organofluorine compound; piperidines	antidepressant; anxiolytic drug; hepatotoxic agent; P450 inhibitor; serotonin uptake inhibitor
captopril	[no description available]	medium	3	0	alkanethiol; L-proline derivative; N-acylpyrrolidine; pyrrolidinemonocarboxylic acid	antihypertensive agent; EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor
encainide	[no description available]	medium	3	0	benzamides; piperidines	anti-arrhythmia drug; sodium channel blocker
lovastatin	[no description available]	medium	3	0	delta-lactone; fatty acid ester; hexahydronaphthalenes; polyketide; statin (naturally occurring)	anticholesteremic drug; antineoplastic agent; Aspergillus metabolite; prodrug
enoximone	[no description available]	medium	3	0	aromatic ketone
simvastatin	[no description available]	medium	3	0	delta-lactone; fatty acid ester; hexahydronaphthalenes; statin (semi-synthetic)	EC 1.1.1.34/EC 1.1.1.88 (hydroxymethylglutaryl-CoA reductase) inhibitor; EC 3.4.24.83 (anthrax lethal factor endopeptidase) inhibitor; ferroptosis inducer; geroprotector; prodrug
mibefradil	[no description available]	medium	2	0	tetralins	T-type calcium channel blocker
bromfenac	[no description available]	medium	3	0	aromatic amino acid; benzophenones; organobromine compound; substituted aniline	non-narcotic analgesic; non-steroidal anti-inflammatory drug
rilmenidine	[no description available]	medium	1	0	isourea
diprafenone	[no description available]	medium	2	0	aromatic compound
uk 68798	[no description available]	medium	2	0	aromatic ether; sulfonamide; tertiary amino compound	anti-arrhythmia drug; potassium channel blocker
bufuralol	[no description available]	medium	2	0	benzofurans
epanolol	[no description available]	medium	1	0	acetamides
methotrimeprazine	[no description available]	medium	5	0	phenothiazines; tertiary amine	anticoronaviral agent; cholinergic antagonist; dopaminergic antagonist; EC 3.4.21.26 (prolyl oligopeptidase) inhibitor; non-narcotic analgesic; phenothiazine antipsychotic drug; serotonergic antagonist
methotrimeprazine	[no description available]	medium	5	1	phenothiazines; tertiary amine	anticoronaviral agent; cholinergic antagonist; dopaminergic antagonist; EC 3.4.21.26 (prolyl oligopeptidase) inhibitor; non-narcotic analgesic; phenothiazine antipsychotic drug; serotonergic antagonist
atovaquone	[no description available]	medium	3	0	hydroxy-1,2-naphthoquinone
nicotine	[no description available]	high	10	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
methotrexate	[no description available]	medium	3	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
xamoterol	[no description available]	medium	2	0	morpholines
naproxen	[no description available]	medium	4	0	methoxynaphthalene; monocarboxylic acid	antipyretic; cyclooxygenase 1 inhibitor; cyclooxygenase 2 inhibitor; drug allergen; environmental contaminant; gout suppressant; non-narcotic analgesic; non-steroidal anti-inflammatory drug; xenobiotic
atropine	[no description available]	medium	18	0
atropine	[no description available]	medium	18	6
rimiterol	[no description available]	medium	1	0	catechols
quinidine	[no description available]	medium	4	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
dironyl	[no description available]	medium	1	0	organic molecular entity
tretinoin	[no description available]	medium	2	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
mercaptopurine	[no description available]	medium	3	0	aryl thiol; purines; thiocarbonyl compound	anticoronaviral agent; antimetabolite; antineoplastic agent
terbinafine	[no description available]	medium	2	0	acetylenic compound; allylamine antifungal drug; enyne; naphthalenes; tertiary amine	EC 1.14.13.132 (squalene monooxygenase) inhibitor; P450 inhibitor; sterol biosynthesis inhibitor
raclopride	[no description available]	medium	2	0	salicylamides
quinine	[no description available]	medium	3	0	cinchona alkaloid	antimalarial; muscle relaxant; non-narcotic analgesic
zofenoprilate	[no description available]	medium	1	0	aryl sulfide; L-proline derivative; N-acyl-L-amino acid; thiol	anticonvulsant; apoptosis inhibitor; cardioprotective agent; drug metabolite; EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor; vasodilator agent
codeine	[no description available]	medium	9	0	morphinane alkaloid; organic heteropentacyclic compound	antitussive; drug allergen; environmental contaminant; opioid analgesic; opioid receptor agonist; prodrug; xenobiotic
naloxone	[no description available]	medium	26	0	morphinane alkaloid; organic heteropentacyclic compound; tertiary alcohol	antidote to opioid poisoning; central nervous system depressant; mu-opioid receptor antagonist
naloxone	[no description available]	medium	26	4	morphinane alkaloid; organic heteropentacyclic compound; tertiary alcohol	antidote to opioid poisoning; central nervous system depressant; mu-opioid receptor antagonist
morphine	[no description available]	medium	38	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
morphine	[no description available]	medium	38	2	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
nalbuphine	[no description available]	medium	3	0	organic heteropentacyclic compound	mu-opioid receptor antagonist; opioid analgesic
nalbuphine	[no description available]	medium	3	1	organic heteropentacyclic compound	mu-opioid receptor antagonist; opioid analgesic
zuclopenthixol	[no description available]	medium	1	0	clopenthixol	alpha-adrenergic antagonist; dopaminergic antagonist; first generation antipsychotic; H1-receptor antagonist; serotonergic antagonist
fluvoxamine	[no description available]	high	4	0	(trifluoromethyl)benzenes; 5-methoxyvalerophenone O-(2-aminoethyl)oxime	antidepressant; anxiolytic drug; serotonin uptake inhibitor
(6E)-7-[3-(4-fluorophenyl)-1-(propan-2-yl)-1H-indol-2-yl]-3,5-dihydroxyhept-6-enoic acid	[no description available]	medium	3	0	dihydroxy monocarboxylic acid; indoles; organofluorine compound
naltrexone	[no description available]	medium	10	0	cyclopropanes; morphinane-like compound; organic heteropentacyclic compound	antidote to opioid poisoning; central nervous system depressant; environmental contaminant; mu-opioid receptor antagonist; xenobiotic
naltrexone	[no description available]	medium	10	1	cyclopropanes; morphinane-like compound; organic heteropentacyclic compound	antidote to opioid poisoning; central nervous system depressant; environmental contaminant; mu-opioid receptor antagonist; xenobiotic
famotidine	[no description available]	medium	3	0	1,3-thiazoles; guanidines; sulfonamide	anti-ulcer drug; H2-receptor antagonist; P450 inhibitor
nitrofurantoin	[no description available]	medium	3	0	imidazolidine-2,4-dione; nitrofuran antibiotic; organonitrogen heterocyclic antibiotic; organooxygen heterocyclic antibiotic	antibacterial drug; antiinfective agent; hepatotoxic agent
nifurtimox	[no description available]	medium	2	0	nitrofuran antibiotic
scopolamine hydrobromide	[no description available]	medium	7	0
scopolamine hydrobromide	[no description available]	medium	7	1
mobiflex	[no description available]	medium	3	0	heteroaryl hydroxy compound; monocarboxylic acid amide; pyridines; thienothiazine	antipyretic; EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor; non-narcotic analgesic; non-steroidal anti-inflammatory drug
warfarin	[no description available]	medium	6	0	benzenes; hydroxycoumarin; methyl ketone
ajmaline	[no description available]	medium	2	0
clozapine	[no description available]	medium	9	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
olanzapine	[no description available]	medium	7	0	benzodiazepine; N-arylpiperazine; N-methylpiperazine	antiemetic; dopaminergic antagonist; histamine antagonist; muscarinic antagonist; second generation antipsychotic; serotonergic antagonist; serotonin uptake inhibitor
allopurinol	[no description available]	medium	3	0	nucleobase analogue; organic heterobicyclic compound	antimetabolite; EC 1.17.3.2 (xanthine oxidase) inhibitor; gout suppressant; radical scavenger
cyproheptadine	[no description available]	medium	2	0	piperidines; tertiary amine	anti-allergic agent; antipruritic drug; gastrointestinal drug; H1-receptor antagonist; serotonergic antagonist
dapsone	[no description available]	medium	4	0	substituted aniline; sulfone	anti-inflammatory drug; antiinfective agent; antimalarial; leprostatic drug
fenoprofen	[no description available]	medium	1	0	monocarboxylic acid	antipyretic; cyclooxygenase 1 inhibitor; cyclooxygenase 2 inhibitor; drug allergen; non-narcotic analgesic; non-steroidal anti-inflammatory drug
flufenamic acid	[no description available]	medium	2	0	aromatic amino acid; organofluorine compound	antipyretic; EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor; non-narcotic analgesic; non-steroidal anti-inflammatory drug
ketotifen	[no description available]	medium	1	0	cyclic ketone; olefinic compound; organic heterotricyclic compound; organosulfur heterocyclic compound; piperidines; tertiary amino compound	anti-asthmatic drug; H1-receptor antagonist
mefenamic acid	[no description available]	medium	2	0	aminobenzoic acid; secondary amino compound	analgesic; antipyretic; antirheumatic drug; EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor; environmental contaminant; non-steroidal anti-inflammatory drug; xenobiotic
niflumic acid	[no description available]	medium	3	0	aromatic carboxylic acid; pyridines
propofol	[no description available]	high	33	7	phenols	anticonvulsant; antiemetic; intravenous anaesthetic; radical scavenger; sedative
propofol	[no description available]	high	33	0	phenols	anticonvulsant; antiemetic; intravenous anaesthetic; radical scavenger; sedative
sulfathiazole	[no description available]	medium	1	0	1,3-thiazoles; substituted aniline; sulfonamide antibiotic; sulfonamide	antiinfective agent; drug allergen; EC 2.5.1.15 (dihydropteroate synthase) inhibitor; environmental contaminant; xenobiotic
troglitazone	[no description available]	medium	3	0	chromanes; thiazolidinone	anticoagulant; anticonvulsant; antineoplastic agent; antioxidant; EC 6.2.1.3 (long-chain-fatty-acid--CoA ligase) inhibitor; ferroptosis inhibitor; hypoglycemic agent; platelet aggregation inhibitor; vasodilator agent
zomepirac	[no description available]	medium	1	0	aromatic ketone; monocarboxylic acid; monochlorobenzenes; pyrroles	cardiovascular drug; non-steroidal anti-inflammatory drug
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
etoposide	[no description available]	medium	4	0	beta-D-glucoside; furonaphthodioxole; organic heterotetracyclic compound	antineoplastic agent; DNA synthesis inhibitor
epirubicin	[no description available]	medium	3	0	aminoglycoside; anthracycline antibiotic; anthracycline; deoxy hexoside; monosaccharide derivative; p-quinones; primary alpha-hydroxy ketone; tertiary alpha-hydroxy ketone	antimicrobial agent; antineoplastic agent; EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor
sn 38	[no description available]	medium	1	0	delta-lactone; phenols; pyranoindolizinoquinoline; tertiary alcohol	antineoplastic agent; apoptosis inducer; drug metabolite; EC 5.99.1.2 (DNA topoisomerase) inhibitor
norbuprenorphine	[no description available]	medium	2	0	phenanthrenes
ezogabine	[no description available]	medium	1	0	carbamate ester; organofluorine compound; secondary amino compound; substituted aniline	anticonvulsant; potassium channel modulator
ezetimibe	[no description available]	medium	2	0	azetidines; beta-lactam; organofluorine compound	anticholesteremic drug; antilipemic drug; antimetabolite
bms204352	[no description available]	medium	2	0
5 alpha-androstane-3 beta,17 beta-diol	[no description available]	medium	1	0	17beta-hydroxy steroid; 3beta-hydroxy steroid; androstane-3,17-diol	Daphnia magna metabolite; human metabolite
tacrolimus	[no description available]	medium	4	0	macrolide lactam	bacterial metabolite; immunosuppressive agent
mycophenolic acid	[no description available]	medium	2	0	2-benzofurans; gamma-lactone; monocarboxylic acid; phenols	anticoronaviral agent; antimicrobial agent; antineoplastic agent; EC 1.1.1.205 (IMP dehydrogenase) inhibitor; environmental contaminant; immunosuppressive agent; mycotoxin; Penicillium metabolite; xenobiotic
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
almokalant	[no description available]	medium	1	0
alpha-hydroxytamoxifen	[no description available]	medium	1	0	stilbenoid
tolcapone	[no description available]	medium	4	0	2-nitrophenols; benzophenones; catechols	antiparkinson drug; EC 2.1.1.6 (catechol O-methyltransferase) inhibitor
entacapone	[no description available]	medium	3	0	2-nitrophenols; catechols; monocarboxylic acid amide; nitrile	antidyskinesia agent; antiparkinson drug; central nervous system drug; EC 2.1.1.6 (catechol O-methyltransferase) inhibitor
cyclosporine	[no description available]	medium	4	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
nalorphine	[no description available]	medium	2	0	morphinane alkaloid
alvocidib	[no description available]	medium	3	0	dihydroxyflavone; hydroxypiperidine; monochlorobenzenes; tertiary amino compound	antineoplastic agent; antirheumatic drug; apoptosis inducer; EC 2.7.11.22 (cyclin-dependent kinase) inhibitor
morphine-6-glucuronide	[no description available]	medium	3	0	morphinane alkaloid
morphine-3-glucuronide	[no description available]	medium	1	0	morphinane alkaloid
5-hydroxyrofecoxib	[no description available]	medium	1	0
bupivacaine	[no description available]	medium	14	0	aromatic amide; piperidinecarboxamide; tertiary amino compound
bupivacaine	[no description available]	medium	14	4	aromatic amide; piperidinecarboxamide; tertiary amino compound
chlorzoxazone	[no description available]	medium	2	0	1,3-benzoxazoles; heteroaryl hydroxy compound; organochlorine compound	muscle relaxant; sedative
fentanyl	[no description available]	medium	86	0	anilide; monocarboxylic acid amide; piperidines	adjuvant; anaesthesia adjuvant; anaesthetic; intravenous anaesthetic; mu-opioid receptor agonist; opioid analgesic
fentanyl	[no description available]	medium	86	33	anilide; monocarboxylic acid amide; piperidines	adjuvant; anaesthesia adjuvant; anaesthetic; intravenous anaesthetic; mu-opioid receptor agonist; opioid analgesic
pimobendan	[no description available]	medium	2	0	benzimidazoles; pyridazinone	cardiotonic drug; EC 3.1.4.* (phosphoric diester hydrolase) inhibitor; vasodilator agent
terfenadine	[no description available]	medium	2	0	diarylmethane
colchicine	[no description available]	medium	6	0	alkaloid; colchicine	anti-inflammatory agent; gout suppressant; mutagen
bromodichloromethane	[no description available]	medium	1	0	halomethane	environmental contaminant; reagent
erythromycin	[no description available]	medium	4	0	cyclic ketone; erythromycin
erythromycin	[no description available]	medium	4	1	cyclic ketone; erythromycin
vinblastine	[no description available]	medium	3	0
1-nitropyrene	[no description available]	medium	1	0	nitroarene	carcinogenic agent
7-ethoxycoumarin	[no description available]	medium	1	0	aromatic ether; coumarins
paclitaxel	[no description available]	medium	4	0	taxane diterpenoid; tetracyclic diterpenoid	antineoplastic agent; human metabolite; metabolite; microtubule-stabilising agent
adinazolam	[no description available]	medium	4	0	triazolobenzodiazepine	anticonvulsant; antidepressant; anxiolytic drug; sedative
mifepristone	[no description available]	medium	3	0	3-oxo-Delta(4) steroid; acetylenic compound; tertiary amino compound	abortifacient; contraceptive drug; hormone antagonist; synthetic oral contraceptive
zileuton	[no description available]	medium	2	0	1-benzothiophenes; ureas	anti-asthmatic drug; EC 1.13.11.34 (arachidonate 5-lipoxygenase) inhibitor; ferroptosis inhibitor; leukotriene antagonist; non-steroidal anti-inflammatory drug
irinotecan	[no description available]	medium	3	0	carbamate ester; delta-lactone; N-acylpiperidine; pyranoindolizinoquinoline; ring assembly; tertiary alcohol; tertiary amino compound	antineoplastic agent; apoptosis inducer; EC 5.99.1.2 (DNA topoisomerase) inhibitor; prodrug
tazofelone	[no description available]	medium	1	0
clarithromycin	[no description available]	medium	3	0	macrolide antibiotic	antibacterial drug; environmental contaminant; protein synthesis inhibitor; xenobiotic
docetaxel	[no description available]	medium	3	0	hydrate; secondary alpha-hydroxy ketone	antineoplastic agent
taurochenodeoxycholic acid	[no description available]	medium	1	0	bile acid taurine conjugate	human metabolite; mouse metabolite
ritonavir	[no description available]	medium	3	0	1,3-thiazoles; carbamate ester; carboxamide; L-valine derivative; ureas	antiviral drug; environmental contaminant; HIV protease inhibitor; xenobiotic
saquinavir	[no description available]	medium	3	0	L-asparagine derivative; quinolines	antiviral drug; HIV protease inhibitor
senecionine	[no description available]	medium	1	0	lactone; pyrrolizidine alkaloid; tertiary alcohol	plant metabolite
sirolimus	[no description available]	medium	2	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
onapristone	[no description available]	medium	1	0
indinavir sulfate	[no description available]	medium	3	0	dicarboxylic acid diamide; N-(2-hydroxyethyl)piperazine; piperazinecarboxamide	HIV protease inhibitor
zatosetron	[no description available]	medium	1	0
k11002	[no description available]	medium	1	0
vindesine	[no description available]	medium	2	0
lilopristone	[no description available]	medium	1	0
rifabutin	[no description available]	medium	3	0
gamma-aminobutyric acid	[no description available]	medium	416	0	amino acid zwitterion; gamma-amino acid; monocarboxylic acid	human metabolite; neurotransmitter; Saccharomyces cerevisiae metabolite; signalling molecule
bisindolylmaleimide i	[no description available]	medium	1	0
1-NA-PP1	[no description available]	medium	1	0	pyrazolopyrimidine	tyrosine kinase inhibitor
bicuculline	[no description available]	medium	83	0	benzylisoquinoline alkaloid; isoquinoline alkaloid; isoquinolines	agrochemical; central nervous system stimulant; GABA-gated chloride channel antagonist; GABAA receptor antagonist; neurotoxin
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
quinacrine	[no description available]	medium	2	0	acridines; aromatic ether; organochlorine compound; tertiary amino compound	antimalarial; EC 1.8.1.12 (trypanothione-disulfide reductase) inhibitor
aminocaproic acid	[no description available]	medium	2	0	amino acid zwitterion; epsilon-amino acid; omega-amino fatty acid	antifibrinolytic drug; hematologic agent; metabolite
1-(3-chlorophenyl)piperazine	[no description available]	medium	2	0	monochlorobenzenes; N-arylpiperazine	drug metabolite; environmental contaminant; serotonergic agonist; xenobiotic
enprofylline	[no description available]	medium	1	0	oxopurine	anti-arrhythmia drug; anti-asthmatic drug; bronchodilator agent; non-steroidal anti-inflammatory drug
acetazolamide	[no description available]	medium	2	0	monocarboxylic acid amide; sulfonamide; thiadiazoles	anticonvulsant; diuretic; EC 4.2.1.1 (carbonic anhydrase) inhibitor
alfuzosin	[no description available]	medium	2	0	monocarboxylic acid amide; quinazolines; tetrahydrofuranol	alpha-adrenergic antagonist; antihypertensive agent; antineoplastic agent
alosetron	[no description available]	medium	1	0	imidazoles; pyridoindole	antiemetic; gastrointestinal drug; serotonergic antagonist
diatrizoic acid	[no description available]	medium	1	0	acetamides; benzoic acids; organoiodine compound	environmental contaminant; radioopaque medium; xenobiotic
amsacrine	[no description available]	medium	2	0	acridines; aromatic ether; sulfonamide	antineoplastic agent; EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor
antipyrine	[no description available]	medium	3	0	pyrazolone	antipyretic; cyclooxygenase 3 inhibitor; environmental contaminant; non-narcotic analgesic; non-steroidal anti-inflammatory drug; xenobiotic
antipyrine	[no description available]	medium	3	1	pyrazolone	antipyretic; cyclooxygenase 3 inhibitor; environmental contaminant; non-narcotic analgesic; non-steroidal anti-inflammatory drug; xenobiotic
azelastine	[no description available]	medium	1	0	monochlorobenzenes; phthalazines; tertiary amino compound	anti-allergic agent; anti-asthmatic drug; bronchodilator agent; EC 1.13.11.34 (arachidonate 5-lipoxygenase) inhibitor; H1-receptor antagonist; platelet aggregation inhibitor
biperiden	[no description available]	medium	1	0	piperidines; tertiary alcohol; tertiary amino compound	antidote to sarin poisoning; antidyskinesia agent; antiparkinson drug; muscarinic antagonist; parasympatholytic
bromazepam	[no description available]	medium	18	0	organic molecular entity
bromopride	[no description available]	medium	1	0	benzamides
buflomedil	[no description available]	medium	1	0	aromatic ketone
bunazosin	[no description available]	medium	1	0	quinazolines
busulfan	[no description available]	medium	2	0	methanesulfonate ester	alkylating agent; antineoplastic agent; carcinogenic agent; insect sterilant; teratogenic agent
metrizoate	[no description available]	medium	1	0	monocarboxylic acid	radioopaque medium
carmustine	[no description available]	medium	2	0	N-nitrosoureas; organochlorine compound	alkylating agent; antineoplastic agent
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
chlorazepate	[no description available]	high	2	0	1,4-benzodiazepinone	anticonvulsant; anxiolytic drug; GABA modulator; prodrug
amphetamine	[no description available]	medium	6	0	primary amine
doxapram	[no description available]	medium	2	0	morpholines; pyrrolidin-2-ones	central nervous system stimulant
dyphylline	[no description available]	medium	1	0	oxopurine; propane-1,2-diols	bronchodilator agent; EC 3.1.4.* (phosphoric diester hydrolase) inhibitor; muscle relaxant; vasodilator agent
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
ethacrynic acid	[no description available]	medium	2	0	aromatic ether; aromatic ketone; dichlorobenzene; monocarboxylic acid	EC 2.5.1.18 (glutathione transferase) inhibitor; ion transport inhibitor; loop diuretic
fenspiride	[no description available]	medium	1	0	azaspiro compound
fleroxacin	[no description available]	medium	1	0	difluorobenzene; fluoroquinolone antibiotic; monocarboxylic acid; N-alkylpiperazine; quinolines	antibacterial drug; EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor; topoisomerase IV inhibitor
fluorescite	[no description available]	medium	1	0	benzoic acids; cyclic ketone; hydroxy monocarboxylic acid; organic heterotricyclic compound; phenols; xanthene dye	fluorescent dye; radioopaque medium
foscarnet	[no description available]	medium	1	0	carboxylic acid; one-carbon compound; phosphonic acids	antiviral drug; geroprotector; HIV-1 reverse transcriptase inhibitor; sodium-dependent Pi-transporter inhibitor
gabapentin	[no description available]	medium	2	0	gamma-amino acid	anticonvulsant; calcium channel blocker; environmental contaminant; xenobiotic
glimepiride	[no description available]	medium	1	0	sulfonamide
granisetron	[no description available]	medium	2	0	aromatic amide; indazoles
guanfacine	[no description available]	medium	2	0	acetamides
hydroflumethiazide	[no description available]	medium	1	0	benzothiadiazine; thiazide	antihypertensive agent; diuretic
hydroxychloroquine	[no description available]	medium	1	0	aminoquinoline; organochlorine compound; primary alcohol; secondary amino compound; tertiary amino compound	anticoronaviral agent; antimalarial; antirheumatic drug; dermatologic drug
hydroxyurea	[no description available]	medium	2	0	one-carbon compound; ureas	antimetabolite; antimitotic; antineoplastic agent; DNA synthesis inhibitor; EC 1.17.4.1 (ribonucleoside-diphosphate reductase) inhibitor; genotoxin; immunomodulator; radical scavenger; teratogenic agent
hypericin	[no description available]	medium	1	0
ifosfamide	[no description available]	medium	2	0	ifosfamides	alkylating agent; antineoplastic agent; environmental contaminant; immunosuppressive agent; xenobiotic
iohexol	[no description available]	medium	2	0	benzenedicarboxamide; organoiodine compound	environmental contaminant; radioopaque medium; xenobiotic
iopromide	[no description available]	medium	1	0	dicarboxylic acid diamide; organoiodine compound	environmental contaminant; nephrotoxic agent; radioopaque medium; xenobiotic
iothalamic acid	[no description available]	medium	1	0	organic molecular entity
avapro	[no description available]	medium	2	0	azaspiro compound; biphenylyltetrazole	angiotensin receptor antagonist; antihypertensive agent; environmental contaminant; xenobiotic
itraconazole	[no description available]	medium	2	0	piperazines
ketanserin	[no description available]	medium	11	0	aromatic ketone; organofluorine compound; piperidines; quinazolines	alpha-adrenergic antagonist; antihypertensive agent; cardiovascular drug; EC 3.4.21.26 (prolyl oligopeptidase) inhibitor; serotonergic antagonist
letrozole	[no description available]	medium	1	0	nitrile; triazoles	antineoplastic agent; EC 1.14.14.14 (aromatase) inhibitor
losartan	[no description available]	medium	2	0	biphenylyltetrazole; imidazoles	angiotensin receptor antagonist; anti-arrhythmia drug; antihypertensive agent; endothelin receptor antagonist
mepivacaine	[no description available]	medium	3	0	piperidinecarboxamide	drug allergen; local anaesthetic
meprobamate	[no description available]	medium	5	0	organic molecular entity
meprobamate	[no description available]	medium	5	1	organic molecular entity
mesalamine	[no description available]	medium	2	0	amino acid; aromatic amine; monocarboxylic acid; monohydroxybenzoic acid; phenols	non-steroidal anti-inflammatory drug
metformin	[no description available]	medium	2	0	guanidines	environmental contaminant; geroprotector; hypoglycemic agent; xenobiotic
methapyrilene	[no description available]	medium	1	0	ethylenediamine derivative	anti-allergic agent; carcinogenic agent; H1-receptor antagonist; sedative
methylphenidate	[no description available]	medium	4	0	beta-amino acid ester; methyl ester; piperidines
metolazone	[no description available]	medium	1	0	organochlorine compound; quinazolines; sulfonamide	antihypertensive agent; diuretic; ion transport inhibitor
mitoxantrone	[no description available]	medium	2	0	dihydroxyanthraquinone	analgesic; antineoplastic agent
acecainide	[no description available]	medium	1	0	acetamides; benzamides	anti-arrhythmia drug
naratriptan	[no description available]	medium	2	0	heteroarylpiperidine; sulfonamide; tryptamines	serotonergic agonist; vasoconstrictor agent
nefazodone	[no description available]	medium	3	0	aromatic ether; monochlorobenzenes; N-alkylpiperazine; N-arylpiperazine; triazoles	alpha-adrenergic antagonist; analgesic; antidepressant; serotonergic antagonist; serotonin uptake inhibitor
nefopam	[no description available]	medium	1	0	benzoxazocine; tertiary amino compound
nomifensine	[no description available]	medium	1	0	isoquinolines	dopamine uptake inhibitor
ofloxacin	[no description available]	medium	2	0	3-oxo monocarboxylic acid; N-arylpiperazine; N-methylpiperazine; organofluorine compound; oxazinoquinoline
oxiracetam	[no description available]	medium	1	0	organonitrogen compound; organooxygen compound
oxybutynin	[no description available]	medium	1	0	acetylenic compound; carboxylic ester; racemate; tertiary alcohol; tertiary amino compound	antispasmodic drug; calcium channel blocker; local anaesthetic; muscarinic antagonist; muscle relaxant; parasympatholytic
pamidronate	[no description available]	medium	1	0	phosphonoacetic acid
pantoprazole	[no description available]	medium	2	0	aromatic ether; benzimidazoles; organofluorine compound; pyridines; sulfoxide	anti-ulcer drug; EC 3.6.3.10 (H(+)/K(+)-exchanging ATPase) inhibitor; environmental contaminant; xenobiotic
papaverine	[no description available]	medium	1	0	benzylisoquinoline alkaloid; dimethoxybenzene; isoquinolines	antispasmodic drug; vasodilator agent
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
pentobarbital	[no description available]	high	96	7	barbiturates	GABAA receptor agonist
pentobarbital	[no description available]	high	96	0	barbiturates	GABAA receptor agonist
phenacetin	[no description available]	medium	2	0	acetamides; aromatic ether	cyclooxygenase 3 inhibitor; non-narcotic analgesic; peripheral nervous system drug
moxonidine	[no description available]	medium	2	0	organohalogen compound; pyrimidines
piretanide	[no description available]	medium	1	0	aromatic ether
prilocaine	[no description available]	medium	2	0	amino acid amide; monocarboxylic acid amide	anticonvulsant; local anaesthetic
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
pyridostigmine	[no description available]	medium	1	0	pyridinium ion
pyrimethamine	[no description available]	medium	2	0	aminopyrimidine; monochlorobenzenes	antimalarial; antiprotozoal drug; EC 1.5.1.3 (dihydrofolate reductase) inhibitor
rabeprazole	[no description available]	medium	1	0	benzimidazoles; pyridines; sulfoxide	anti-ulcer drug; EC 3.6.3.10 (H(+)/K(+)-exchanging ATPase) inhibitor
rizatriptan	[no description available]	medium	2	0	tryptamines	anti-inflammatory drug; serotonergic agonist; vasoconstrictor agent
risedronic acid	[no description available]	medium	1	0	pyridines
sotalol	[no description available]	medium	2	0	ethanolamines; secondary alcohol; secondary amino compound; sulfonamide	anti-arrhythmia drug; beta-adrenergic antagonist; environmental contaminant; xenobiotic
imatinib	[no description available]	medium	1	0	aromatic amine; benzamides; N-methylpiperazine; pyridines; pyrimidines	antineoplastic agent; apoptosis inducer; tyrosine kinase inhibitor
vorinostat	[no description available]	medium	2	0	dicarboxylic acid diamide; hydroxamic acid	antineoplastic agent; apoptosis inducer; EC 3.5.1.98 (histone deacetylase) inhibitor
suprofen	[no description available]	medium	2	0	aromatic ketone; monocarboxylic acid; thiophenes	antirheumatic drug; drug allergen; EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor; non-narcotic analgesic; non-steroidal anti-inflammatory drug; peripheral nervous system drug
suramin	[no description available]	medium	2	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
gatifloxacin	[no description available]	medium	2	0	N-arylpiperazine; organofluorine compound; quinolinemonocarboxylic acid; quinolone antibiotic; quinolone	antiinfective agent; antimicrobial agent; EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor
temozolomide	[no description available]	medium	2	0	imidazotetrazine; monocarboxylic acid amide; triazene derivative	alkylating agent; antineoplastic agent; prodrug
thalidomide	[no description available]	medium	2	0	phthalimides; piperidones
thiotepa	[no description available]	medium	1	0	aziridines
tinidazole	[no description available]	medium	1	0	imidazoles	antiamoebic agent; antibacterial drug; antiparasitic agent; antiprotozoal drug
tranexamic acid	[no description available]	medium	2	0	amino acid
trimetrexate	[no description available]	medium	1	0
trimipramine	[no description available]	medium	1	0	dibenzoazepine; tertiary amino compound	antidepressant; environmental contaminant; xenobiotic
viloxazine	[no description available]	medium	1	0	aromatic ether
zaleplon	[no description available]	medium	3	0	nitrile; pyrazolopyrimidine	anticonvulsant; anxiolytic drug; central nervous system depressant; sedative
zopiclone	[no description available]	medium	35	0	monochloropyridine; pyrrolopyrazine	central nervous system depressant; sedative
zopiclone	[no description available]	medium	35	17	monochloropyridine; pyrrolopyrazine	central nervous system depressant; sedative
cephaloridine	[no description available]	medium	2	0	beta-lactam antibiotic allergen; cephalosporin; semisynthetic derivative	antibacterial drug
penicillin g	[no description available]	medium	3	0	penicillin allergen; penicillin	antibacterial drug; drug allergen; epitope
vincristine	[no description available]	medium	2	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
apomorphine	[no description available]	medium	6	0	aporphine alkaloid	alpha-adrenergic drug; antidyskinesia agent; antiparkinson drug; dopamine agonist; emetic; serotonergic drug
cephalothin	[no description available]	medium	2	0	azabicycloalkene; beta-lactam antibiotic allergen; carboxylic acid; cephalosporin; semisynthetic derivative; thiophenes	antibacterial drug; antimicrobial agent
kanamycin a	[no description available]	medium	2	0	kanamycins	bacterial metabolite
levodopa	[no description available]	medium	5	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
methicillin	[no description available]	medium	1	0	penicillin allergen; penicillin	antibacterial drug
ampicillin	[no description available]	medium	3	0	beta-lactam antibiotic; penicillin allergen; penicillin	antibacterial drug
triamcinolone acetonide	[no description available]	medium	2	0	11beta-hydroxy steroid; 20-oxo steroid; 21-hydroxy steroid; 3-oxo-Delta(4) steroid; cyclic ketal; fluorinated steroid; glucocorticoid; primary alpha-hydroxy ketone	anti-allergic agent; anti-inflammatory drug
phencyclidine	[no description available]	medium	7	0	benzenes; piperidines	anaesthetic; neurotoxin; NMDA receptor antagonist; psychotropic drug
dichloroacetic acid	[no description available]	medium	1	0	monocarboxylic acid; organochlorine compound	astringent; marine metabolite
penicillin v	[no description available]	medium	1	0	penicillin allergen; penicillin
isosorbide dinitrate	[no description available]	medium	2	0	glucitol derivative; nitrate ester	nitric oxide donor; vasodilator agent
ergotamine	[no description available]	medium	2	0	peptide ergot alkaloid	alpha-adrenergic agonist; mycotoxin; non-narcotic analgesic; oxytocic; serotonergic agonist; vasoconstrictor agent
neostigmine bromide	[no description available]	medium	2	0	bromide salt
methohexital	[no description available]	medium	8	0	acetylenic compound; barbiturates	drug allergen; intravenous anaesthetic
methohexital	[no description available]	medium	8	1	acetylenic compound; barbiturates	drug allergen; intravenous anaesthetic
pirinitramide	[no description available]	medium	5	0	nitrile
pirinitramide	[no description available]	medium	5	1	nitrile
edrophonium bromide	[no description available]	medium	1	0
azacitidine	[no description available]	medium	2	0	N-glycosyl-1,3,5-triazine; nucleoside analogue	antineoplastic agent
galantamine	[no description available]	medium	1	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
ketobemidone	[no description available]	medium	1	0	piperidines
methamphetamine	[no description available]	medium	15	0	amphetamines; secondary amine	central nervous system stimulant; environmental contaminant; neurotoxin; psychotropic drug; xenobiotic
lithium carbonate	[no description available]	medium	2	0	carbonate salt; lithium salt	antimanic drug
acetylcysteine	[no description available]	medium	2	0	acetylcysteine; L-cysteine derivative; N-acetyl-L-amino acid	antidote to paracetamol poisoning; antiinfective agent; antioxidant; antiviral drug; ferroptosis inhibitor; geroprotector; human metabolite; mucolytic; radical scavenger; vulnerary
levonorgestrel	[no description available]	medium	1	0	17beta-hydroxy steroid; 3-oxo-Delta(4) steroid; terminal acetylenic compound	contraceptive drug; female contraceptive drug; progestin; synthetic oral contraceptive
lormetazepam	[no description available]	high	20	0	1,4-benzodiazepinone; organochlorine compound	sedative
lormetazepam	[no description available]	high	20	14	1,4-benzodiazepinone; organochlorine compound	sedative
vancomycin	[no description available]	medium	2	0	glycopeptide	antibacterial drug; antimicrobial agent; bacterial metabolite
metylperon	[no description available]	medium	1	0	aromatic ketone
spectinomycin	[no description available]	medium	3	0	cyclic acetal; cyclic hemiketal; cyclic ketone; pyranobenzodioxin; secondary alcohol; secondary amino compound	antibacterial drug; antimicrobial agent; bacterial metabolite
benperidol	[no description available]	medium	1	0	aromatic ketone
stavudine	[no description available]	medium	2	0	dihydrofuran; nucleoside analogue; organic molecular entity	antimetabolite; antiviral agent; EC 2.7.7.49 (RNA-directed DNA polymerase) inhibitor
doxifluridine	[no description available]	medium	2	0	organofluorine compound; pyrimidine 5'-deoxyribonucleoside	antimetabolite; antineoplastic agent; prodrug
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
cladribine	[no description available]	medium	2	0	organochlorine compound; purine 2'-deoxyribonucleoside	antineoplastic agent; immunosuppressive agent
carbenicillin	[no description available]	medium	1	0	penicillin allergen; penicillin	antibacterial drug
floxacillin	[no description available]	medium	2	0	penicillin allergen; penicillin	antibacterial drug
beclomethasone dipropionate	[no description available]	medium	1	0	11beta-hydroxy steroid; 20-oxo steroid; 3-oxo-Delta(1),Delta(4)-steroid; chlorinated steroid; corticosteroid; enone; glucocorticoid; propanoate ester; steroid ester	anti-arrhythmia drug; anti-asthmatic drug; anti-inflammatory drug; prodrug
olsalazine	[no description available]	medium	1	0	azobenzenes; dicarboxylic acid	non-steroidal anti-inflammatory drug; prodrug
terodiline	[no description available]	medium	1	0	diarylmethane
1-(4-carboxyphenyl)-3,3-dimethyltriazene	[no description available]	medium	1	0
metocurine iodide	[no description available]	medium	1	0	aromatic ether
apazone	[no description available]	medium	1	0	benzotriazines	non-steroidal anti-inflammatory drug; uricosuric drug
cephalexin	[no description available]	medium	1	0	beta-lactam antibiotic allergen; cephalosporin; semisynthetic derivative	antibacterial drug
isosorbide-5-mononitrate	[no description available]	medium	2	0	glucitol derivative; nitrate ester	nitric oxide donor; vasodilator agent
cephapirin	[no description available]	medium	1	0	cephalosporin	antibacterial drug
pregnanolone	[no description available]	high	46	0	3-hydroxy-5beta-pregnan-20-one; 3alpha-hydroxy steroid	human metabolite; intravenous anaesthetic; sedative
ribostamycin	[no description available]	medium	1	0	amino cyclitol glycoside; aminoglycoside antibiotic	antibacterial drug; antimicrobial agent; metabolite
cefazolin	[no description available]	medium	2	0	beta-lactam antibiotic allergen; cephalosporin; tetrazoles; thiadiazoles	antibacterial drug
amoxicillin	[no description available]	medium	2	0	penicillin allergen; penicillin	antibacterial drug
toloxatone	[no description available]	medium	1	0	oxazolidinone; primary alcohol; toluenes
sisomicin	[no description available]	medium	1	0	amino cyclitol glycoside; aminoglycoside antibiotic; beta-L-arabinoside; monosaccharide derivative
amdinocillin	[no description available]	medium	1	0	penicillin	antibacterial drug; antiinfective agent
tobramycin	[no description available]	medium	2	0	amino cyclitol glycoside	antibacterial agent; antimicrobial agent; toxin
ticarcillin	[no description available]	medium	1	0	penicillin allergen; penicillin	antibacterial drug
trimazosin	[no description available]	medium	1	0	N-arylpiperazine
ribavirin	[no description available]	medium	2	0	1-ribosyltriazole; aromatic amide; monocarboxylic acid amide; primary carboxamide	anticoronaviral agent; antiinfective agent; antimetabolite; antiviral agent; EC 2.7.7.49 (RNA-directed DNA polymerase) inhibitor
amikacin	[no description available]	medium	3	0	alpha-D-glucoside; amino cyclitol glycoside; aminoglycoside; carboxamide	antibacterial drug; antimicrobial agent; nephrotoxin
tolamolol	[no description available]	medium	1	0
cephradine	[no description available]	medium	1	0	beta-lactam antibiotic allergen; cephalosporin	antibacterial drug
methyldopa	[no description available]	medium	2	0	L-tyrosine derivative; non-proteinogenic L-alpha-amino acid	alpha-adrenergic agonist; antihypertensive agent; hapten; peripheral nervous system drug; sympatholytic agent
sulbenicillin	[no description available]	medium	1	0	penicillin
vecuronium bromide	[no description available]	medium	2	0	organic bromide salt; quaternary ammonium salt	muscle relaxant; neuromuscular agent; nicotinic antagonist
sufentanil	[no description available]	medium	6	0	anilide; ether; piperidines; thiophenes	anaesthesia adjuvant; intravenous anaesthetic; mu-opioid receptor agonist; opioid analgesic
sufentanil	[no description available]	medium	6	2	anilide; ether; piperidines; thiophenes	anaesthesia adjuvant; intravenous anaesthetic; mu-opioid receptor agonist; opioid analgesic
torsemide	[no description available]	medium	1	0	aminopyridine; N-sulfonylurea; secondary amino compound	antihypertensive agent; loop diuretic
medroxalol	[no description available]	medium	1	0	salicylamides
cefmetazole	[no description available]	medium	1	0	cephalosporin	antibacterial drug
idarubicin	[no description available]	medium	1	0	anthracycline antibiotic; deoxy hexoside; monosaccharide derivative
ceforanide	[no description available]	medium	1	0	cephalosporin	antibacterial drug
piperacillin	[no description available]	medium	2	0	penicillin allergen; penicillin	antibacterial drug
cefoperazone	[no description available]	medium	2	0	cephalosporin	antibacterial drug
atracurium	[no description available]	medium	1	0	diester; quaternary ammonium ion	muscle relaxant; nicotinic antagonist
moxalactam	[no description available]	medium	2	0	cephalosporin; oxacephem	antibacterial drug
endralazine	[no description available]	medium	1	0	benzamides
cefadroxil anhydrous	[no description available]	medium	2	0	cephalosporin	antibacterial drug
pefloxacin	[no description available]	medium	1	0	fluoroquinolone antibiotic; monocarboxylic acid; N-alkylpiperazine; N-arylpiperazine; quinolone antibiotic; quinolone	antibacterial drug; antiinfective agent; DNA synthesis inhibitor
alfentanil	[no description available]	medium	4	0	monocarboxylic acid amide; piperidines	central nervous system depressant; intravenous anaesthetic; mu-opioid receptor agonist; opioid analgesic; peripheral nervous system drug
alfentanil	[no description available]	medium	4	1	monocarboxylic acid amide; piperidines	central nervous system depressant; intravenous anaesthetic; mu-opioid receptor agonist; opioid analgesic; peripheral nervous system drug
cefotetan	[no description available]	medium	2	0
recainam	[no description available]	medium	1	0
flupirtine	[no description available]	medium	2	0	aminopyridine
idazoxan	[no description available]	medium	1	0	benzodioxine; imidazolines	alpha-adrenergic antagonist
remoxipride	[no description available]	medium	2	0	dimethoxybenzene
pravastatin	[no description available]	medium	2	0	3-hydroxy carboxylic acid; carbobicyclic compound; carboxylic ester; hydroxy monocarboxylic acid; secondary alcohol; statin (semi-synthetic)	anticholesteremic drug; environmental contaminant; metabolite; xenobiotic
bambuterol	[no description available]	medium	1	0	carbamate ester; phenylethanolamines	anti-asthmatic drug; beta-adrenergic agonist; bronchodilator agent; EC 3.1.1.7 (acetylcholinesterase) inhibitor; prodrug; sympathomimetic agent; tocolytic agent
atomoxetine	[no description available]	medium	2	0	aromatic ether; secondary amino compound; toluenes	adrenergic uptake inhibitor; antidepressant; environmental contaminant; xenobiotic
trospectomycin	[no description available]	medium	1	0	dioxanes
finasteride	[no description available]	medium	2	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
sematilide	[no description available]	medium	1	0
esmolol	[no description available]	medium	1	0	aromatic ether; ethanolamines; methyl ester; secondary alcohol; secondary amino compound
clinafloxacin	[no description available]	medium	1	0	quinolines
adefovir	[no description available]	medium	1	0	6-aminopurines; ether; phosphonic acids	antiviral drug; DNA synthesis inhibitor; drug metabolite; HIV-1 reverse transcriptase inhibitor; nephrotoxic agent
loxiglumide	[no description available]	medium	1	0	organic molecular entity
sparfloxacin	[no description available]	medium	2	0	fluoroquinolone antibiotic; N-arylpiperazine; quinolinemonocarboxylic acid; quinolone antibiotic; quinolone
cidofovir anhydrous	[no description available]	medium	2	0	phosphonic acids; pyrimidone	anti-HIV agent; antineoplastic agent; antiviral drug; photosensitizing agent
tiagabine	[no description available]	medium	2	0	beta-amino acid; piperidinemonocarboxylic acid; tertiary amino compound; thiophenes	anticonvulsant; GABA reuptake inhibitor
topotecan	[no description available]	medium	1	0	pyranoindolizinoquinoline	antineoplastic agent; EC 5.99.1.2 (DNA topoisomerase) inhibitor
gemcitabine	[no description available]	medium	1	0	organofluorine compound; pyrimidine 2'-deoxyribonucleoside	antimetabolite; antineoplastic agent; antiviral drug; DNA synthesis inhibitor; EC 1.17.4.1 (ribonucleoside-diphosphate reductase) inhibitor; environmental contaminant; immunosuppressive agent; photosensitizing agent; prodrug; radiosensitizing agent; xenobiotic
ibutilide	[no description available]	medium	1	0	benzenes; organic amino compound
aripiprazole	[no description available]	medium	2	0	aromatic ether; delta-lactam; dichlorobenzene; N-alkylpiperazine; N-arylpiperazine; quinolone	drug metabolite; H1-receptor antagonist; second generation antipsychotic; serotonergic agonist
remifentanil	[no description available]	high	2	0	alpha-amino acid ester; anilide; monocarboxylic acid amide; piperidinecarboxylate ester	intravenous anaesthetic; mu-opioid receptor agonist; opioid analgesic; sedative
lamivudine	[no description available]	medium	2	0	monothioacetal; nucleoside analogue; oxacycle; primary alcohol	allergen; anti-HBV agent; antiviral drug; EC 2.7.7.49 (RNA-directed DNA polymerase) inhibitor; HIV-1 reverse transcriptase inhibitor; prodrug
valsartan	[no description available]	medium	2	0	biphenylyltetrazole; monocarboxylic acid amide; monocarboxylic acid	angiotensin receptor antagonist; antihypertensive agent; environmental contaminant; xenobiotic
ibandronic acid	[no description available]	medium	1	0
ziprasidone	[no description available]	medium	2	0	1,2-benzisothiazole; indolones; organochlorine compound; piperazines	antipsychotic agent; dopaminergic antagonist; histamine antagonist; muscarinic antagonist; psychotropic drug; serotonergic antagonist
zanamivir	[no description available]	medium	1	0	guanidines	antiviral agent; EC 3.2.1.18 (exo-alpha-sialidase) inhibitor
zolmitriptan	[no description available]	medium	2	0	oxazolidinone; tryptamines	anti-inflammatory drug; serotonergic agonist; vasoconstrictor agent
tirofiban	[no description available]	medium	1	0	L-tyrosine derivative; piperidines; sulfonamide	anticoagulant; fibrin modulating drug; platelet glycoprotein-IIb/IIIa receptor antagonist
cisatracurium	[no description available]	medium	1	0	diester; quaternary ammonium ion	muscle relaxant; nicotinic antagonist
fosinoprilat	[no description available]	medium	1	0	L-proline derivative; phosphinic acids	antihypertensive agent; EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor
trovafloxacin	[no description available]	medium	1	0
cefprozil	[no description available]	medium	2	0	cephalosporin; semisynthetic derivative	antibacterial drug
iopamidol	[no description available]	medium	1	0	benzenedicarboxamide; organoiodine compound; pentol	environmental contaminant; radioopaque medium; xenobiotic
imipramine n-oxide	[no description available]	medium	1	0	dibenzooxazepine
dexloxiglumide	[no description available]	medium	1	0	glutamic acid derivative
intoplicine	[no description available]	medium	2	0	pyridoindole
repaglinide	[no description available]	medium	1	0	piperidines
telmisartan	[no description available]	medium	2	0	benzimidazoles; biphenyls; carboxybiphenyl	angiotensin receptor antagonist; antihypertensive agent; EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor; environmental contaminant; xenobiotic
dexfenfluramine	[no description available]	medium	3	0	fenfluramine	appetite depressant; serotonergic agonist; serotonin uptake inhibitor
ethinyl estradiol-17-sulfate	[no description available]	medium	1	0
ethinylestradiol-3-sulfate	[no description available]	medium	1	0	17beta-hydroxy steroid; steroid sulfate	antineoplastic agent; estrogen
cefcanel	[no description available]	medium	1	0
zoledronic acid	[no description available]	medium	1	0	1,1-bis(phosphonic acid); imidazoles	bone density conservation agent
epristeride	[no description available]	medium	1	0	steroid acid
talinolol	[no description available]	medium	1	0	ureas
denaverine	[no description available]	medium	1	0	diarylmethane
nebivolol	[no description available]	medium	1	0	chromanes; diol; organofluorine compound; secondary alcohol; secondary amino compound
ljc 10627	[no description available]	medium	1	0	carbapenems; organic sulfide; pyrazolotriazole	antibacterial drug
dexrazoxane	[no description available]	medium	2	0	razoxane	antineoplastic agent; cardiovascular drug; chelator; immunosuppressive agent
voriconazole	[no description available]	medium	2	0	conazole antifungal drug; difluorobenzene; pyrimidines; tertiary alcohol; triazole antifungal drug	P450 inhibitor
betamipron	[no description available]	medium	1	0	organonitrogen compound; organooxygen compound
panipenem	[no description available]	medium	1	0	organic molecular entity
perindoprilat	[no description available]	medium	1	0	dicarboxylic acid; dipeptide; L-alanine derivative; organic heterobicyclic compound	antihypertensive agent; drug metabolite; EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor
7-hydroxystaurosporine	[no description available]	medium	1	0
9-aminocamptothecin	[no description available]	medium	1	0	pyranoindolizinoquinoline
sch 34343	[no description available]	medium	1	0
squalamine	[no description available]	medium	1	0	bile acid
rivastigmine	[no description available]	medium	1	0	carbamate ester; tertiary amino compound	cholinergic drug; EC 3.1.1.8 (cholinesterase) inhibitor; neuroprotective agent
frovatriptan	[no description available]	medium	1	0	carbazoles
eletriptan	[no description available]	medium	2	0	indoles; N-alkylpyrrolidine; sulfone	non-steroidal anti-inflammatory drug; serotonergic agonist; vasoconstrictor agent
rosiglitazone	[no description available]	medium	2	0	aminopyridine; thiazolidinediones	EC 6.2.1.3 (long-chain-fatty-acid--CoA ligase) inhibitor; ferroptosis inhibitor; insulin-sensitizing drug
mci 9038	[no description available]	medium	1	0	peptide
imipenem, anhydrous	[no description available]	medium	1	0	beta-lactam antibiotic allergen; carbapenems; zwitterion	antibacterial drug
bosentan anhydrous	[no description available]	medium	2	0	primary alcohol; pyrimidines; sulfonamide	antihypertensive agent; endothelin receptor antagonist
asulacrine	[no description available]	medium	1	0	acridines
hydroxycotinine	[no description available]	medium	1	0	N-alkylpyrrolidine; pyridines; pyrrolidin-2-ones; pyrrolidine alkaloid
quinaprilat	[no description available]	medium	1	0	dicarboxylic acid; isoquinolines; tertiary carboxamide	antihypertensive agent; EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor; vasodilator agent
2-hydroxyimipramine	[no description available]	medium	1	0	dibenzoazepine
ecteinascidin 743	[no description available]	medium	2	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
almotriptan	[no description available]	medium	1	0	indoles; sulfonamide; tertiary amine	non-steroidal anti-inflammatory drug; serotonergic agonist; vasoconstrictor agent
mk 0663	[no description available]	medium	1	0	bipyridines; organochlorine compound; sulfone	cyclooxygenase 2 inhibitor; non-steroidal anti-inflammatory drug
gefitinib	[no description available]	medium	2	0	aromatic ether; monochlorobenzenes; monofluorobenzenes; morpholines; quinazolines; secondary amino compound; tertiary amino compound	antineoplastic agent; epidermal growth factor receptor antagonist
tamsulosin	[no description available]	medium	1	0	5-(2-{[2-(2-ethoxyphenoxy)ethyl]amino}propyl)-2-methoxybenzenesulfonamide	alpha-adrenergic antagonist; antineoplastic agent
sulbactam	[no description available]	medium	2	0	penicillanic acids
dilevalol	[no description available]	medium	1	0	2-hydroxy-5-{1-hydroxy-2-[(4-phenylbutan-2-yl)amino]ethyl}benzamide
irofulven	[no description available]	medium	1	0	cyclohexenones
ym 872	[no description available]	medium	1	0
levofloxacin	[no description available]	medium	2	0	9-fluoro-3-methyl-10-(4-methylpiperazin-1-yl)-7-oxo-2,3-dihydro-7H-[1,4]oxazino[2,3,4-ij]quinoline-6-carboxylic acid; fluoroquinolone antibiotic; quinolone antibiotic	antibacterial drug; DNA synthesis inhibitor; EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor; topoisomerase IV inhibitor
ertapenem	[no description available]	medium	1	0	carbapenemcarboxylic acid; pyrrolidinecarboxamide	antibacterial drug
dx 8951	[no description available]	medium	1	0	pyranoindolizinoquinoline
cilomilast	[no description available]	medium	1	0	methoxybenzenes
conivaptan	[no description available]	medium	1	0	benzazepine	aquaretic; vasopressin receptor antagonist
tezosentan	[no description available]	medium	2	0
sabarubicin	[no description available]	medium	1	0
moxifloxacin	[no description available]	medium	2	0	aromatic ether; cyclopropanes; fluoroquinolone antibiotic; pyrrolidinopiperidine; quinolinemonocarboxylic acid; quinolone antibiotic; quinolone	antibacterial drug
clevidipine	[no description available]	medium	1	0	dihydropyridine
solifenacin	[no description available]	medium	1	0	isoquinolines
abanoquil	[no description available]	medium	1	0
anidulafungin	[no description available]	medium	1	0	antibiotic antifungal drug; azamacrocycle; echinocandin; heterodetic cyclic peptide; semisynthetic derivative
ropivacaine	[no description available]	medium	1	0	piperidinecarboxamide; ropivacaine	local anaesthetic
melagatran	[no description available]	medium	1	0	azetidines; carboxamidine; dicarboxylic acid monoamide; non-proteinogenic alpha-amino acid; secondary amino compound	anticoagulant; EC 3.4.21.5 (thrombin) inhibitor; serine protease inhibitor
tesaglitazar	[no description available]	medium	1	0
fosfluconazole	[no description available]	medium	1	0	conazole antifungal drug; triazole antifungal drug; triazoles	prodrug
cp 101,606	[no description available]	medium	1	0
nsc-89199	[no description available]	medium	1	0	carbamate ester; organochlorine compound; steroid phosphate
phenethicillin	[no description available]	medium	1	0	penicillin allergen; penicillin
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
bortezomib	[no description available]	medium	2	0	amino acid amide; L-phenylalanine derivative; pyrazines	antineoplastic agent; antiprotozoal drug; protease inhibitor; proteasome inhibitor
meropenem	[no description available]	medium	2	0	alpha,beta-unsaturated monocarboxylic acid; carbapenemcarboxylic acid; organic sulfide; pyrrolidinecarboxamide	antibacterial agent; antibacterial drug; drug allergen
cefoxitin	[no description available]	medium	1	0	beta-lactam antibiotic allergen; cephalosporin; cephamycin; semisynthetic derivative	antibacterial drug
digitoxin	[no description available]	medium	2	0	cardenolide glycoside	EC 3.6.3.9 (Na(+)/K(+)-transporting ATPase) inhibitor
pancuronium	[no description available]	medium	12	0	acetate ester; steroid ester	cholinergic antagonist; muscle relaxant; nicotinic antagonist
pancuronium	[no description available]	medium	12	1	acetate ester; steroid ester	cholinergic antagonist; muscle relaxant; nicotinic antagonist
rocuronium	[no description available]	medium	1	0	3alpha-hydroxy steroid; acetate ester; androstane; morpholines; quaternary ammonium ion; tertiary amino compound	drug allergen; muscle relaxant; neuromuscular agent
abacavir	[no description available]	medium	1	0	2,6-diaminopurines	antiviral drug; drug allergen; HIV-1 reverse transcriptase inhibitor
netilmicin	[no description available]	medium	2	0
miglitol	[no description available]	medium	1	0	piperidines
linezolid	[no description available]	medium	1	0	acetamides; morpholines; organofluorine compound; oxazolidinone	antibacterial drug; protein synthesis inhibitor
tolterodine	[no description available]	medium	2	0	tertiary amine	antispasmodic drug; muscarinic antagonist; muscle relaxant
darifenacin	[no description available]	medium	1	0	1-benzofurans; monocarboxylic acid amide; pyrrolidines	antispasmodic drug; muscarinic antagonist
fluticasone propionate	[no description available]	medium	1	0	11beta-hydroxy steroid; 3-oxo-Delta(1),Delta(4)-steroid; corticosteroid; fluorinated steroid; propanoate ester; steroid ester; thioester	adrenergic agent; anti-allergic agent; anti-asthmatic drug; anti-inflammatory drug; bronchodilator agent; dermatologic drug
acarbose	[no description available]	medium	2	0	amino cyclitol; glycoside
cerivastatin	[no description available]	medium	3	0	dihydroxy monocarboxylic acid; pyridines; statin (synthetic)
rosuvastatin	[no description available]	medium	2	0	dihydroxy monocarboxylic acid; monofluorobenzenes; pyrimidines; statin (synthetic); sulfonamide	anti-inflammatory agent; antilipemic drug; cardioprotective agent; CETP inhibitor; environmental contaminant; xenobiotic
cocaine	[no description available]	medium	14	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
clindamycin	[no description available]	medium	2	0
fosfomycin	[no description available]	medium	2	0	epoxide; phosphonic acids	antimicrobial agent; EC 2.5.1.7 (UDP-N-acetylglucosamine 1-carboxyvinyltransferase) inhibitor
zithromax	[no description available]	medium	2	0	macrolide antibiotic	antibacterial drug; environmental contaminant; xenobiotic
bms 214662	[no description available]	medium	1	0	benzenes; benzodiazepine; imidazoles; nitrile; sulfonamide; thiophenes	antineoplastic agent; apoptosis inducer; EC 2.5.1.58 (protein farnesyltransferase) inhibitor
eptifibatide	[no description available]	medium	1	0	homodetic cyclic peptide; macrocycle; organic disulfide	anticoagulant; platelet aggregation inhibitor
gs 4071	[no description available]	medium	1	0	acetate ester; amino acid; cyclohexenecarboxylic acid; primary amino compound	antiviral drug; EC 3.2.1.18 (exo-alpha-sialidase) inhibitor; marine xenobiotic metabolite
decitabine	[no description available]	medium	2	0	2'-deoxyribonucleoside
sm 8668	[no description available]	medium	1	0
teniposide	[no description available]	medium	2	0	aromatic ether; beta-D-glucoside; cyclic acetal; furonaphthodioxole; gamma-lactone; monosaccharide derivative; phenols; thiophenes	antineoplastic agent; EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor
troxacitabine	[no description available]	medium	1	0	carbohydrate derivative; nucleobase-containing molecular entity
cefamandole	[no description available]	medium	1	0	cephalosporin; semisynthetic derivative	antibacterial drug
tiazofurin	[no description available]	medium	2	0	1,3-thiazoles; C-glycosyl compound; monocarboxylic acid amide	antineoplastic agent; EC 1.1.1.205 (IMP dehydrogenase) inhibitor; prodrug
melphalan	[no description available]	medium	2	0	L-phenylalanine derivative; nitrogen mustard; non-proteinogenic L-alpha-amino acid; organochlorine compound	alkylating agent; antineoplastic agent; carcinogenic agent; drug allergen; immunosuppressive agent
sitafloxacin	[no description available]	medium	1	0	fluoroquinolone antibiotic; quinolines; quinolone antibiotic
tenofovir	[no description available]	medium	2	0	nucleoside analogue; phosphonic acids	antiviral drug; drug metabolite; HIV-1 reverse transcriptase inhibitor
dibekacin	[no description available]	medium	1	0	kanamycins	antibacterial agent; protein synthesis inhibitor
micafungin	[no description available]	medium	2	0	antibiotic antifungal drug; echinocandin	antiinfective agent
mezlocillin	[no description available]	medium	1	0	penicillin allergen; penicillin	antibacterial drug
tropisetron	[no description available]	medium	3	0	indolyl carboxylic acid
leuprolide	[no description available]	medium	1	0	oligopeptide	anti-estrogen; antineoplastic agent; gonadotropin releasing hormone agonist
fludarabine	[no description available]	medium	1	0	purine nucleoside
propylthiouracil	[no description available]	medium	2	0	pyrimidinethione	antidote to paracetamol poisoning; antimetabolite; antioxidant; antithyroid drug; carcinogenic agent; EC 1.14.13.39 (nitric oxide synthase) inhibitor; hormone antagonist
etomidate	[no description available]	high	23	4	ethyl ester; imidazoles	intravenous anaesthetic; sedative
etomidate	[no description available]	high	23	0	ethyl ester; imidazoles	intravenous anaesthetic; sedative
cotinine	[no description available]	medium	2	0	N-alkylpyrrolidine; pyridines; pyrrolidin-2-ones; pyrrolidine alkaloid	antidepressant; biomarker; human xenobiotic metabolite; plant metabolite
methimazole	[no description available]	medium	3	0	1,3-dihydroimidazole-2-thiones	antithyroid drug
drotaverin	[no description available]	medium	1	0	isoquinolines
digoxin	[no description available]	medium	3	0	cardenolide glycoside; steroid saponin	anti-arrhythmia drug; cardiotonic drug; EC 3.6.3.9 (Na(+)/K(+)-transporting ATPase) inhibitor; epitope
cancidas	[no description available]	medium	1	0
lincomycin	[no description available]	medium	1	0	carbohydrate-containing antibiotic; L-proline derivative; monocarboxylic acid amide; pyrrolidinecarboxamide; S-glycosyl compound	antimicrobial agent; bacterial metabolite
thiopental	[no description available]	high	23	4	barbiturates	anticonvulsant; drug allergen; environmental contaminant; intravenous anaesthetic; sedative; xenobiotic
thiopental	[no description available]	high	23	0	barbiturates	anticonvulsant; drug allergen; environmental contaminant; intravenous anaesthetic; sedative; xenobiotic
hmr 3647	[no description available]	medium	2	0
nelarabine	[no description available]	medium	1	0	beta-D-arabinoside; monosaccharide derivative; purine nucleoside	antineoplastic agent; DNA synthesis inhibitor; prodrug
2-[(2-ethoxyphenoxy)-phenylmethyl]morpholine	[no description available]	medium	2	0	aromatic ether
dolasetron	[no description available]	medium	2	0	indolyl carboxylic acid
or 1259	[no description available]	medium	2	0	hydrazone; nitrile; pyridazinone	anti-arrhythmia drug; cardiotonic drug; EC 3.1.4.17 (3',5'-cyclic-nucleotide phosphodiesterase) inhibitor; vasodilator agent
gestodene	[no description available]	medium	2	0	steroid	estrogen
isepamicin	[no description available]	medium	1	0
ifetroban	[no description available]	medium	1	0	benzenes; monocarboxylic acid
lamifiban	[no description available]	medium	1	0	N-acylglycine
telavancin	[no description available]	medium	1	0	glycopeptide	antibacterial drug; antimicrobial agent
sitagliptin	[no description available]	medium	1	0	triazolopyrazine; trifluorobenzene	EC 3.4.14.5 (dipeptidyl-peptidase IV) inhibitor; environmental contaminant; hypoglycemic agent; serine proteinase inhibitor; xenobiotic
quercetin	[no description available]	medium	1	0	7-hydroxyflavonol; pentahydroxyflavone	antibacterial agent; antineoplastic agent; antioxidant; Aurora kinase inhibitor; chelator; EC 1.10.99.2 [ribosyldihydronicotinamide dehydrogenase (quinone)] inhibitor; geroprotector; phytoestrogen; plant metabolite; protein kinase inhibitor; radical scavenger
clavulanic acid	[no description available]	medium	2	0	oxapenam	antibacterial drug; anxiolytic drug; bacterial metabolite; EC 3.5.2.6 (beta-lactamase) inhibitor
pulmicort	[no description available]	medium	2	0	11beta-hydroxy steroid; 20-oxo steroid; 21-hydroxy steroid; 3-oxo-Delta(1),Delta(4)-steroid; cyclic acetal; glucocorticoid; primary alpha-hydroxy ketone	anti-inflammatory drug; bronchodilator agent; drug allergen
eprosartan	[no description available]	medium	1	0	dicarboxylic acid; imidazoles; thiophenes	angiotensin receptor antagonist; antihypertensive agent; environmental contaminant; xenobiotic
montelukast	[no description available]	medium	2	0	aliphatic sulfide; monocarboxylic acid; quinolines	anti-arrhythmia drug; anti-asthmatic drug; leukotriene antagonist
mivacurium	[no description available]	medium	1	0	isoquinolines
paricalcitol	[no description available]	medium	1	0	hydroxy seco-steroid; seco-cholestane	antiparathyroid drug
sdz psc 833	[no description available]	medium	2	0	homodetic cyclic peptide
indocyanine green	[no description available]	medium	1	0	1,1-diunsubstituted alkanesulfonate; benzoindole; cyanine dye
hydromorphone	[no description available]	medium	4	0	morphinane alkaloid; organic heteropentacyclic compound	mu-opioid receptor agonist; opioid analgesic
nalmefene	[no description available]	medium	1	0	morphinane alkaloid
oxycodone	[no description available]	medium	2	0	organic heteropentacyclic compound; semisynthetic derivative	antitussive; mu-opioid receptor agonist; opioid analgesic
cicaprost	[no description available]	medium	1	0	monoterpenoid
dexmedetomidine	[no description available]	medium	1	0	medetomidine	alpha-adrenergic agonist; analgesic; non-narcotic analgesic; sedative
iloprost	[no description available]	medium	2	0	carbobicyclic compound; monocarboxylic acid; secondary alcohol	platelet aggregation inhibitor; vasodilator agent
nateglinide	[no description available]	medium	1	0	phenylalanine derivative
vinorelbine	[no description available]	medium	2	0	acetate ester; methyl ester; organic heteropentacyclic compound; organic heterotetracyclic compound; ring assembly; vinca alkaloid	antineoplastic agent; photosensitizing agent
romidepsin	[no description available]	medium	1	0	cyclodepsipeptide; heterocyclic antibiotic; organic disulfide	antineoplastic agent; EC 3.5.1.98 (histone deacetylase) inhibitor
butorphanol	[no description available]	medium	3	0	morphinane alkaloid	antitussive; kappa-opioid receptor agonist; mu-opioid receptor agonist; opioid analgesic
cefodizime	[no description available]	medium	1	0	1,3-thiazoles; cephalosporin; oxime O-ether	antibacterial drug; EC 1.14.18.1 (tyrosinase) inhibitor
methylnaltrexone	[no description available]	medium	1	0	phenanthrenes
cefixime	[no description available]	medium	2	0	cephalosporin	antibacterial drug; drug allergen
lisinopril	[no description available]	medium	2	0	dipeptide	EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor
enalaprilat anhydrous	[no description available]	medium	2	0	dicarboxylic acid; dipeptide	antihypertensive agent; EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor
cefuroxime	[no description available]	medium	1	0	3-(carbamoyloxymethyl)cephalosporin; furans; oxime O-ether	drug allergen
ceftriaxone	[no description available]	medium	2	0	1,2,4-triazines; 1,3-thiazoles; cephalosporin; oxime O-ether	antibacterial drug; drug allergen; EC 3.5.2.6 (beta-lactamase) inhibitor
cefepime	[no description available]	medium	1	0	cephalosporin; oxime O-ether	antibacterial drug
hr 810	[no description available]	medium	1	0	cephalosporin; cyclopentapyridine
ceftazidime	[no description available]	medium	1	0	cephalosporin; oxime O-ether	antibacterial drug; drug allergen; EC 2.4.1.129 (peptidoglycan glycosyltransferase) inhibitor
cefetamet	[no description available]	medium	1	0	cephalosporin
cefotaxime	[no description available]	medium	2	0	1,3-thiazoles; cephalosporin; oxime O-ether	antibacterial drug; drug allergen
aztreonam	[no description available]	medium	2	0	beta-lactam antibiotic allergen; monobactam	antibacterial drug; drug allergen; EC 2.4.1.129 (peptidoglycan glycosyltransferase) inhibitor
ginkgolide b	[no description available]	medium	1	0
palonosetron	[no description available]	medium	1	0	azabicycloalkane; delta-lactam; organic heterotricyclic compound	antiemetic; serotonergic antagonist
cefatrizine	[no description available]	medium	1	0	amino acid amide; carboxylic acid; cephalosporin; phenols; semisynthetic derivative; triazoles	antibacterial drug; EC 2.7.11.20 (elongation factor 2 kinase) inhibitor
eniporide	[no description available]	medium	1	0
cilastatin	[no description available]	medium	1	0	carboxamide; L-cysteine derivative; non-proteinogenic L-alpha-amino acid; organic sulfide	EC 3.4.13.19 (membrane dipeptidase) inhibitor; environmental contaminant; protease inhibitor; xenobiotic
ixabepilone	[no description available]	medium	2	0	1,3-thiazoles; beta-hydroxy ketone; epoxide; lactam; macrocycle	antineoplastic agent; microtubule-destabilising agent
azlocillin	[no description available]	medium	2	0	penicillin allergen; penicillin; semisynthetic derivative	antibacterial drug
verlukast	[no description available]	medium	1	0
ceftizoxime	[no description available]	medium	1	0	cephalosporin	antibacterial drug
carumonam	[no description available]	medium	1	0	monobactam	antibacterial drug
eritoran	[no description available]	medium	1	0	lipid As
dantrolene	[no description available]	medium	1	0
artesunate	[no description available]	medium	1	0	artemisinin derivative; cyclic acetal; dicarboxylic acid monoester; hemisuccinate; semisynthetic derivative; sesquiterpenoid	antimalarial; antineoplastic agent; ferroptosis inducer
dexniguldipine	[no description available]	medium	1	0	diarylmethane
napsagatran	[no description available]	medium	1	0
temsirolimus	[no description available]	medium	1	0	macrolide lactam
bms188797	[no description available]	medium	1	0
azimilide	[no description available]	medium	1	0	imidazolidine-2,4-dione
tomopenem	[no description available]	medium	1	0
bb-83698	[no description available]	medium	1	0
zotarolimus	[no description available]	medium	1	0	lactam; macrolide
gentamicin sulfate	[no description available]	medium	2	0
bn 52020	[no description available]	medium	1	0
bisaramil	[no description available]	medium	1	0
teicoplanin	[no description available]	medium	1	0
ly-146032	[no description available]	medium	1	0	heterodetic cyclic peptide; lipopeptide antibiotic; lipopeptide; macrocycle; macrolide	antibacterial drug; bacterial metabolite; calcium-dependent antibiotics
dalbavancin	[no description available]	medium	1	0	carbohydrate acid derivative; glycopeptide; monosaccharide derivative; semisynthetic derivative	antibacterial drug; antimicrobial agent
cetrorelix	[no description available]	medium	1	0	oligopeptide	antineoplastic agent; GnRH antagonist
tetracycline	[no description available]	medium	3	0
chlortetracycline	[no description available]	medium	2	0
oxytetracycline, anhydrous	[no description available]	medium	2	0
minocycline	[no description available]	medium	2	0
roquinimex	[no description available]	medium	1	0	aromatic amide
mobic	[no description available]	medium	2	0	1,3-thiazoles; benzothiazine; monocarboxylic acid amide	analgesic; antirheumatic drug; cyclooxygenase 2 inhibitor; non-steroidal anti-inflammatory drug
isoxicam	[no description available]	medium	1	0	benzothiazine; isoxazoles; monocarboxylic acid amide	antirheumatic drug; non-steroidal anti-inflammatory drug
demeclocycline	[no description available]	medium	1	0
rolitetracycline	[no description available]	medium	2	0
tigecycline	[no description available]	medium	1	0
acyclovir	[no description available]	medium	2	0	2-aminopurines; oxopurine	antimetabolite; antiviral drug
rifampin	[no description available]	medium	2	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
dacarbazine	[no description available]	medium	2	0	dacarbazine
didanosine	[no description available]	medium	3	0	purine 2',3'-dideoxyribonucleoside	antimetabolite; antiviral drug; EC 2.4.2.1 (purine-nucleoside phosphorylase) inhibitor; geroprotector; HIV-1 reverse transcriptase inhibitor
ganciclovir	[no description available]	medium	2	0	2-aminopurines; oxopurine	antiinfective agent; antiviral drug
sildenafil	[no description available]	medium	2	0	piperazines; pyrazolopyrimidine; sulfonamide	EC 3.1.4.35 (3',5'-cyclic-GMP phosphodiesterase) inhibitor; vasodilator agent
penciclovir	[no description available]	medium	2	0	2-aminopurines; propane-1,3-diols	antiviral drug
vardenafil	[no description available]	medium	1	0	imidazotriazine; N-alkylpiperazine; N-sulfonylpiperazine	EC 3.1.4.* (phosphoric diester hydrolase) inhibitor; vasodilator agent
leucovorin	[no description available]	medium	2	0	formyltetrahydrofolic acid	Escherichia coli metabolite; mouse metabolite
tegaserod	[no description available]	medium	1	0	carboxamidine; guanidines; hydrazines; indoles	gastrointestinal drug; serotonergic agonist
tirapazamine	[no description available]	medium	2	0	aromatic amine; benzotriazines; N-oxide	antibacterial agent; antineoplastic agent; apoptosis inducer
aprepitant	[no description available]	medium	1	0	(trifluoromethyl)benzenes; cyclic acetal; morpholines; triazoles	antidepressant; antiemetic; neurokinin-1 receptor antagonist; peripheral nervous system drug; substance P receptor antagonist
ceftobiprole	[no description available]	medium	1	0	cephalosporin; thiadiazoles	antimicrobial agent
2,5-dihydro-2-(4-methoxyphenyl)-3h-pyrazolo(4,3-c)quinolin-3-one	[no description available]	medium	2	0
beta-carboline-3-carboxylic acid methyl ester	[no description available]	medium	12	0	beta-carbolines
acetic acid	[no description available]	medium	2	0	monocarboxylic acid	antimicrobial food preservative; Daphnia magna metabolite; food acidity regulator; protic solvent
acetamide	[no description available]	medium	1	0	acetamides; carboximidic acid; monocarboxylic acid amide; N-acylammonia
adenine	[no description available]	medium	2	0	6-aminopurines; purine nucleobase	Daphnia magna metabolite; Escherichia coli metabolite; human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite
allantoin	[no description available]	medium	1	0	imidazolidine-2,4-dione; ureas	Escherichia coli metabolite; human metabolite; Saccharomyces cerevisiae metabolite; vulnerary
betaine	[no description available]	medium	1	0	amino-acid betaine; glycine derivative	fundamental metabolite
carnitine	[no description available]	medium	1	0	amino-acid betaine	human metabolite; mouse metabolite
citric acid, anhydrous	[no description available]	medium	1	0	tricarboxylic acid	antimicrobial agent; chelator; food acidity regulator; fundamental metabolite
bupropion	[no description available]	medium	3	0	aromatic ketone; monochlorobenzenes; secondary amino compound	antidepressant; environmental contaminant; xenobiotic
creatine	[no description available]	medium	2	0	glycine derivative; guanidines; zwitterion	geroprotector; human metabolite; mouse metabolite; neuroprotective agent; nutraceutical
lactic acid	[no description available]	medium	1	0	2-hydroxy monocarboxylic acid	algal metabolite; Daphnia magna metabolite
dimethyl sulfoxide	[no description available]	medium	4	0	sulfoxide; volatile organic compound	alkylating agent; antidote; Escherichia coli metabolite; geroprotector; MRI contrast agent; non-narcotic analgesic; polar aprotic solvent; radical scavenger
formaldehyde	[no description available]	medium	1	0	aldehyde; one-carbon compound	allergen; carcinogenic agent; disinfectant; EC 3.5.1.4 (amidase) inhibitor; environmental contaminant; Escherichia coli metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite
glycine	[no description available]	medium	8	0	alpha-amino acid; amino acid zwitterion; proteinogenic amino acid; serine family amino acid	EC 2.1.2.1 (glycine hydroxymethyltransferase) inhibitor; fundamental metabolite; hepatoprotective agent; micronutrient; neurotransmitter; NMDA receptor agonist; nutraceutical
glycerol	[no description available]	medium	1	0	alditol; triol	algal metabolite; detergent; Escherichia coli metabolite; geroprotector; human metabolite; mouse metabolite; osmolyte; Saccharomyces cerevisiae metabolite; solvent
hydroquinone	[no description available]	medium	1	0	benzenediol; hydroquinones	antioxidant; carcinogenic agent; cofactor; Escherichia coli metabolite; human xenobiotic metabolite; mouse metabolite; skin lightening agent
inositol	[no description available]	medium	1	0	cyclitol; hexol
niacinamide	[no description available]	medium	7	0	pyridine alkaloid; pyridinecarboxamide; vitamin B3	anti-inflammatory agent; antioxidant; cofactor; EC 2.4.2.30 (NAD(+) ADP-ribosyltransferase) inhibitor; EC 3.5.1.98 (histone deacetylase) inhibitor; Escherichia coli metabolite; geroprotector; human urinary metabolite; metabolite; mouse metabolite; neuroprotective agent; Saccharomyces cerevisiae metabolite; Sir2 inhibitor
niacin	[no description available]	medium	1	0	pyridine alkaloid; pyridinemonocarboxylic acid; vitamin B3	antidote; antilipemic drug; EC 3.5.1.19 (nicotinamidase) inhibitor; Escherichia coli metabolite; human urinary metabolite; metabolite; mouse metabolite; plant metabolite; vasodilator agent
orotic acid	[no description available]	medium	1	0	pyrimidinemonocarboxylic acid	Escherichia coli metabolite; metabolite; mouse metabolite
4-aminobenzoic acid	[no description available]	medium	1	0	aminobenzoic acid; aromatic amino-acid zwitterion	allergen; Escherichia coli metabolite; plant metabolite
phenol	[no description available]	medium	1	0	phenols	antiseptic drug; disinfectant; human xenobiotic metabolite; mouse metabolite
phenylacetic acid	[no description available]	medium	1	0	benzenes; monocarboxylic acid; phenylacetic acids	allergen; Aspergillus metabolite; auxin; EC 6.4.1.1 (pyruvate carboxylase) inhibitor; Escherichia coli metabolite; human metabolite; plant growth retardant; plant metabolite; Saccharomyces cerevisiae metabolite; toxin
pyrazinamide	[no description available]	medium	1	0	monocarboxylic acid amide; N-acylammonia; pyrazines	antitubercular agent; prodrug
pyridoxal phosphate	[no description available]	medium	1	0	methylpyridines; monohydroxypyridine; pyridinecarbaldehyde; vitamin B6 phosphate	coenzyme; cofactor; EC 2.7.7.7 (DNA-directed DNA polymerase) inhibitor; Escherichia coli metabolite; human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite
pyridoxine	[no description available]	medium	1	0	hydroxymethylpyridine; methylpyridines; monohydroxypyridine; vitamin B6	cofactor; Escherichia coli metabolite; human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite
thiamine	[no description available]	medium	1	0	primary alcohol; vitamin B1	Escherichia coli metabolite; human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite
uracil	[no description available]	medium	1	0	pyrimidine nucleobase; pyrimidone	allergen; Daphnia magna metabolite; Escherichia coli metabolite; human metabolite; mouse metabolite; prodrug; Saccharomyces cerevisiae metabolite
urea	[no description available]	medium	4	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
urea	[no description available]	medium	4	1	isourea; monocarboxylic acid amide; one-carbon compound	Daphnia magna metabolite; Escherichia coli metabolite; fertilizer; flour treatment agent; human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite
catechin	[no description available]	medium	1	0	hydroxyflavan
menthol	[no description available]	medium	2	0	p-menthane monoterpenoid; secondary alcohol	volatile oil component
acetohexamide	[no description available]	medium	1	0	acetophenones; N-sulfonylurea	hypoglycemic agent; insulin secretagogue
acetohydroxamic acid	[no description available]	medium	1	0	acetohydroxamic acids; carbohydroximic acid	algal metabolite; EC 3.5.1.5 (urease) inhibitor
albendazole	[no description available]	medium	1	0	aryl sulfide; benzimidazoles; benzimidazolylcarbamate fungicide; carbamate ester	anthelminthic drug; microtubule-destabilising agent; tubulin modulator
ambroxol	[no description available]	medium	1	0	aromatic amine
aminoglutethimide	[no description available]	medium	1	0	dicarboximide; piperidones; substituted aniline	adrenergic agent; anticonvulsant; antineoplastic agent; EC 1.14.14.14 (aromatase) inhibitor
pimagedine	[no description available]	medium	1	0	guanidines; one-carbon compound	EC 1.14.13.39 (nitric oxide synthase) inhibitor; EC 1.4.3.4 (monoamine oxidase) inhibitor
anastrozole	[no description available]	medium	1	0	nitrile; triazoles	antineoplastic agent; EC 1.14.14.14 (aromatase) inhibitor
anethole trithione	[no description available]	medium	1	0	methoxybenzenes
anthralin	[no description available]	medium	1	0	anthracenes	antipsoriatic
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
baclofen	[no description available]	medium	20	0	amino acid zwitterion; gamma-amino acid; monocarboxylic acid; monochlorobenzenes; primary amino compound	central nervous system depressant; GABA agonist; muscle relaxant
barbital	[no description available]	medium	3	0	barbiturates	drug allergen
bendazac	[no description available]	medium	1	0	indazoles; monocarboxylic acid	non-steroidal anti-inflammatory drug; radical scavenger
benzbromarone	[no description available]	medium	1	0	1-benzofurans; aromatic ketone	uricosuric drug
bicalutamide	[no description available]	medium	1	0	(trifluoromethyl)benzenes; monocarboxylic acid amide; monofluorobenzenes; nitrile; sulfone; tertiary alcohol
bay h 4502	[no description available]	medium	1	0	biphenyls; imidazoles
bromisovalum	[no description available]	medium	1	0	N-acylurea; organobromine compound
buspirone	[no description available]	high	10	0	azaspiro compound; N-alkylpiperazine; N-arylpiperazine; organic heteropolycyclic compound; piperidones; pyrimidines	anxiolytic drug; EC 3.4.21.26 (prolyl oligopeptidase) inhibitor; sedative; serotonergic agonist
butalbital	[no description available]	medium	1	0	barbiturates	analgesic; sedative
candesartan cilexetil	[no description available]	medium	1	0	biphenyls
carisoprodol	[no description available]	medium	1	0	carbamate ester	muscle relaxant
carprofen	[no description available]	medium	1	0	carbazoles; organochlorine compound	EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor; non-steroidal anti-inflammatory drug; photosensitizing agent
celecoxib	[no description available]	medium	1	0	organofluorine compound; pyrazoles; sulfonamide; toluenes	cyclooxygenase 2 inhibitor; geroprotector; non-narcotic analgesic; non-steroidal anti-inflammatory drug
cetirizine	[no description available]	medium	2	0	ether; monocarboxylic acid; monochlorobenzenes; piperazines	anti-allergic agent; environmental contaminant; H1-receptor antagonist; xenobiotic
cetirizine	[no description available]	medium	2	1	ether; monocarboxylic acid; monochlorobenzenes; piperazines	anti-allergic agent; environmental contaminant; H1-receptor antagonist; xenobiotic
chloral hydrate	[no description available]	high	4	1	aldehyde hydrate; ethanediol; organochlorine compound	general anaesthetic; mouse metabolite; sedative; xenobiotic
chloral hydrate	[no description available]	high	4	0	aldehyde hydrate; ethanediol; organochlorine compound	general anaesthetic; mouse metabolite; sedative; xenobiotic
chlormezanone	[no description available]	high	2	1	1,3-thiazine; lactam; monochlorobenzenes; sulfone	antipsychotic agent; anxiolytic drug; muscle relaxant
chlormezanone	[no description available]	high	2	0	1,3-thiazine; lactam; monochlorobenzenes; sulfone	antipsychotic agent; anxiolytic drug; muscle relaxant
chloroxylenol	[no description available]	medium	1	0	monochlorobenzenes; phenols	antiseptic drug; disinfectant; molluscicide
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
clofazimine	[no description available]	medium	1	0	monochlorobenzenes; phenazines	dye; leprostatic drug; non-steroidal anti-inflammatory drug
clofibrate	[no description available]	medium	1	0	aromatic ether; ethyl ester; monochlorobenzenes	anticholesteremic drug; antilipemic drug; geroprotector; PPARalpha agonist
clomiphene	[no description available]	medium	1	0	tertiary amine	estrogen antagonist; estrogen receptor modulator
clotiazepam	[no description available]	medium	1	0	organic molecular entity
clotrimazole	[no description available]	medium	1	0	conazole antifungal drug; imidazole antifungal drug; imidazoles; monochlorobenzenes	antiinfective agent; environmental contaminant; xenobiotic
cyclandelate	[no description available]	medium	1	0	carboxylic ester; secondary alcohol	vasodilator agent
danthron	[no description available]	medium	1	0	dihydroxyanthraquinone	apoptosis inducer; plant metabolite
deferoxamine	[no description available]	medium	2	0	acyclic desferrioxamine	bacterial metabolite; ferroptosis inhibitor; iron chelator; siderophore
eflornithine	[no description available]	medium	1	0	alpha-amino acid; fluoroamino acid	trypanocidal drug
ddt	[no description available]	medium	1	0	benzenoid aromatic compound; chlorophenylethane; monochlorobenzenes; organochlorine insecticide	bridged diphenyl acaricide; carcinogenic agent; endocrine disruptor; persistent organic pollutant
dipyridamole	[no description available]	medium	2	0	piperidines; pyrimidopyrimidine; tertiary amino compound; tetrol	adenosine phosphodiesterase inhibitor; EC 3.5.4.4 (adenosine deaminase) inhibitor; platelet aggregation inhibitor; vasodilator agent
disulfiram	[no description available]	medium	2	0	organic disulfide; organosulfur acaricide	angiogenesis inhibitor; antineoplastic agent; apoptosis inducer; EC 1.2.1.3 [aldehyde dehydrogenase (NAD(+))] inhibitor; EC 3.1.1.1 (carboxylesterase) inhibitor; EC 3.1.1.8 (cholinesterase) inhibitor; EC 5.99.1.2 (DNA topoisomerase) inhibitor; ferroptosis inducer; fungicide; NF-kappaB inhibitor
droperidol	[no description available]	medium	31	0	aromatic ketone; benzimidazoles; organofluorine compound	anaesthesia adjuvant; antiemetic; dopaminergic antagonist; first generation antipsychotic
droperidol	[no description available]	medium	31	9	aromatic ketone; benzimidazoles; organofluorine compound	anaesthesia adjuvant; antiemetic; dopaminergic antagonist; first generation antipsychotic
econazole	[no description available]	medium	1	0	dichlorobenzene; ether; imidazoles; monochlorobenzenes
enflurane	[no description available]	medium	6	0	ether; organochlorine compound; organofluorine compound	anaesthetic
estazolam	[no description available]	high	9	0	triazoles; triazolobenzodiazepine	anticonvulsant; anxiolytic drug; GABA modulator
ethoxzolamide	[no description available]	medium	1	0	aromatic ether; benzothiazoles; sulfonamide	antiglaucoma drug; diuretic; EC 4.2.1.1 (carbonic anhydrase) inhibitor
brl 42810	[no description available]	medium	1	0	2-aminopurines; acetate ester	antiviral drug; prodrug
felbamate	[no description available]	medium	2	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
flutamide	[no description available]	medium	1	0	(trifluoromethyl)benzenes; monocarboxylic acid amide	androgen antagonist; antineoplastic agent
fomepizole	[no description available]	medium	2	0	pyrazoles	antidote; EC 1.1.1.1 (alcohol dehydrogenase) inhibitor; protective agent
glafenine	[no description available]	medium	1	0	aminoquinoline; carboxylic ester; glycol; organochlorine compound; secondary amino compound	inhibitor; non-narcotic analgesic; non-steroidal anti-inflammatory drug
gliclazide	[no description available]	medium	1	0	N-sulfonylurea	hypoglycemic agent; insulin secretagogue; radical scavenger
glutethimide	[no description available]	medium	1	0	piperidines
gossypol	[no description available]	medium	1	0
guaiazulene	[no description available]	medium	1	0	sesquiterpene
fasudil	[no description available]	medium	1	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
halothane	[no description available]	medium	16	0	haloalkane; organobromine compound; organochlorine compound; organofluorine compound	inhalation anaesthetic
halothane	[no description available]	medium	16	3	haloalkane; organobromine compound; organochlorine compound; organofluorine compound	inhalation anaesthetic
hexachlorophene	[no description available]	medium	1	0	bridged diphenyl fungicide; polyphenol; trichlorobenzene	acaricide; antibacterial agent; antifungal agrochemical; antiseptic drug
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
hexestrol	[no description available]	medium	1	0	stilbenoid
hexetidine	[no description available]	medium	1	0	organic heteromonocyclic compound; organonitrogen heterocyclic compound
hydroxyzine	[no description available]	medium	1	0	hydroxyether; monochlorobenzenes; N-alkylpiperazine	anticoronaviral agent; antipruritic drug; anxiolytic drug; dermatologic drug; H1-receptor antagonist
phenelzine	[no description available]	medium	2	0	primary amine
alverine	[no description available]	medium	1	0	tertiary amine	antispasmodic drug
idebenone	[no description available]	medium	2	0	1,4-benzoquinones; primary alcohol	antioxidant; ferroptosis inhibitor
indapamide	[no description available]	medium	1	0	indoles; organochlorine compound; sulfonamide	antihypertensive agent; diuretic
iodipamide	[no description available]	medium	1	0	benzoic acids; organoiodine compound; secondary carboxamide	radioopaque medium
iproniazid	[no description available]	medium	1	0	carbohydrazide; pyridines
isoflurane	[no description available]	medium	16	0	organofluorine compound	inhalation anaesthetic
isoflurane	[no description available]	medium	16	8	organofluorine compound	inhalation anaesthetic
2-propanol	[no description available]	medium	2	0	secondary alcohol; secondary fatty alcohol	protic solvent
isoxsuprine	[no description available]	medium	1	0	alkylbenzene
ketoconazole	[no description available]	medium	3	0	dichlorobenzene; dioxolane; ether; imidazoles; N-acylpiperazine; N-arylpiperazine
khellin	[no description available]	medium	1	0	furanochromone; organic heterotricyclic compound; oxacycle	anti-asthmatic agent; bronchodilator agent; cardiovascular drug; vasodilator agent
beta-lapachone	[no description available]	medium	1	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
lomustine	[no description available]	medium	1	0	N-nitrosoureas; organochlorine compound	alkylating agent; antineoplastic agent
loperamide	[no description available]	medium	2	0	monocarboxylic acid amide; monochlorobenzenes; piperidines; tertiary alcohol	anticoronaviral agent; antidiarrhoeal drug; mu-opioid receptor agonist
malathion	[no description available]	medium	1	0	diester; ethyl ester; organic thiophosphate
diisopropyl 1,3-dithiol-2-ylidenemalonate	[no description available]	medium	1	0	isopropyl ester
mazindol	[no description available]	medium	3	0	organic molecular entity
meclizine	[no description available]	medium	1	0	diarylmethane
meclofenoxate	[no description available]	medium	1	0	monocarboxylic acid
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
mephenytoin	[no description available]	medium	1	0	imidazolidine-2,4-dione	anticonvulsant
methoxsalen	[no description available]	medium	1	0	aromatic ether; psoralens	antineoplastic agent; cross-linking reagent; dermatologic drug; photosensitizing agent; plant metabolite
methoxyflurane	[no description available]	medium	3	0	ether; organochlorine compound; organofluorine compound	hepatotoxic agent; inhalation anaesthetic; nephrotoxic agent; non-narcotic analgesic
methyl salicylate	[no description available]	medium	1	0	benzoate ester; methyl ester; salicylates	flavouring agent; insect attractant; metabolite
methyprylon	[no description available]	medium	1	0	organic molecular entity
metyrapone	[no description available]	medium	1	0	aromatic ketone	antimetabolite; diagnostic agent; EC 1.14.15.4 (steroid 11beta-monooxygenase) inhibitor
miconazole	[no description available]	medium	1	0	dichlorobenzene; ether; imidazoles
minoxidil	[no description available]	medium	1	0	dialkylarylamine; tertiary amino compound
mitotane	[no description available]	medium	1	0	diarylmethane
modafinil	[no description available]	medium	3	0	monocarboxylic acid amide; sulfoxide
moxisylyte	[no description available]	medium	1	0	monoterpenoid
deet	[no description available]	medium	1	0	benzamides; monocarboxylic acid amide	environmental contaminant; insect repellent; xenobiotic
nalidixic acid	[no description available]	medium	1	0	1,8-naphthyridine derivative; monocarboxylic acid; quinolone antibiotic	antibacterial drug; antimicrobial agent; DNA synthesis inhibitor
nialamide	[no description available]	medium	1	0	organonitrogen compound; organooxygen compound
niceritrol	[no description available]	medium	1	0	organic molecular entity
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
nitroglycerin	[no description available]	medium	3	0	nitroglycerol	explosive; muscle relaxant; nitric oxide donor; prodrug; tocolytic agent; vasodilator agent; xenobiotic
masoprocol	[no description available]	medium	1	0	catechols; lignan; tetrol	antioxidant; ferroptosis inhibitor; geroprotector; plant metabolite
norfloxacin	[no description available]	medium	2	0	fluoroquinolone antibiotic; N-arylpiperazine; quinolinemonocarboxylic acid; quinolone antibiotic; quinolone	antibacterial drug; DNA synthesis inhibitor; environmental contaminant; xenobiotic
orphenadrine	[no description available]	medium	1	0	ether; tertiary amino compound	antidyskinesia agent; antiparkinson drug; H1-receptor antagonist; muscarinic antagonist; muscle relaxant; NMDA receptor antagonist; parasympatholytic
oxamniquine	[no description available]	medium	1	0	aromatic primary alcohol; C-nitro compound; quinolines; secondary amino compound
oxethazaine	[no description available]	medium	1	0	amino acid amide
oxybenzone	[no description available]	medium	1	0	hydroxybenzophenone; monomethoxybenzene	dermatologic drug; environmental contaminant; protective agent; ultraviolet filter; xenobiotic
oxyphenbutazone	[no description available]	medium	1	0	phenols; pyrazolidines	antimicrobial agent; antineoplastic agent; antipyretic; drug metabolite; gout suppressant; non-narcotic analgesic; non-steroidal anti-inflammatory drug; xenobiotic metabolite
aminosalicylic acid	[no description available]	medium	1	0	aminobenzoic acid; phenols	antitubercular agent
pemoline	[no description available]	medium	1	0	1,3-oxazoles	central nervous system stimulant
perazine	[no description available]	medium	2	0	N-alkylpiperazine; N-methylpiperazine; phenothiazines	dopaminergic antagonist; phenothiazine antipsychotic drug
phenoxybenzamine	[no description available]	medium	2	0	aromatic amine
pinacidil	[no description available]	medium	1	0	pyridines
pipemidic acid	[no description available]	medium	1	0	amino acid; monocarboxylic acid; N-arylpiperazine; pyridopyrimidine; quinolone antibiotic	antibacterial drug; DNA synthesis inhibitor
piperazine	[no description available]	medium	1	0	azacycloalkane; piperazines; saturated organic heteromonocyclic parent	anthelminthic drug
praziquantel	[no description available]	medium	1	0	isoquinolines
procarbazine	[no description available]	medium	1	0	benzamides; hydrazines	antineoplastic agent
pyridinolcarbamate	[no description available]	medium	1	0	pyridines
opc 12759	[no description available]	medium	1	0	secondary carboxamide
rofecoxib	[no description available]	medium	1	0	butenolide; sulfone	analgesic; cyclooxygenase 2 inhibitor; non-steroidal anti-inflammatory drug
salicylamide	[no description available]	medium	1	0	phenols; salicylamides	antirheumatic drug; non-narcotic analgesic
sevoflurane	[no description available]	medium	2	0	ether; organofluorine compound	central nervous system depressant; inhalation anaesthetic; platelet aggregation inhibitor
sibutramine	[no description available]	medium	2	0	organochlorine compound; tertiary amino compound	anti-obesity agent; serotonin uptake inhibitor
4-phenylbutyric acid, sodium salt	[no description available]	medium	1	0	organic sodium salt	EC 3.5.1.98 (histone deacetylase) inhibitor; geroprotector; neuroprotective agent; orphan drug; prodrug
sulfadimethoxine	[no description available]	medium	1	0	aromatic ether; pyrimidines; substituted aniline; sulfonamide antibiotic; sulfonamide	antiinfective agent; antimicrobial agent; drug allergen; environmental contaminant; xenobiotic
sulfamerazine	[no description available]	medium	1	0	pyrimidines; sulfonamide antibiotic; sulfonamide	antiinfective agent; drug allergen
sulfameter	[no description available]	medium	1	0	pyrimidines; sulfonamide antibiotic; sulfonamide	antiinfective agent; leprostatic drug; renal agent
sulfamethazine	[no description available]	medium	1	0	pyrimidines; sulfonamide antibiotic; sulfonamide	antibacterial drug; antiinfective agent; antimicrobial agent; carcinogenic agent; drug allergen; EC 2.5.1.15 (dihydropteroate synthase) inhibitor; environmental contaminant; ligand; xenobiotic
sulfamethizole	[no description available]	medium	1	0	sulfonamide antibiotic; sulfonamide; thiadiazoles	antiinfective agent; antimicrobial agent; drug allergen; EC 2.5.1.15 (dihydropteroate synthase) inhibitor
sulfanilamide	[no description available]	medium	1	0	substituted aniline; sulfonamide antibiotic; sulfonamide	antibacterial agent; drug allergen; EC 4.2.1.1 (carbonic anhydrase) inhibitor
sulfaphenazole	[no description available]	medium	2	0	primary amino compound; pyrazoles; substituted aniline; sulfonamide antibiotic; sulfonamide	antibacterial drug; EC 1.14.13.181 (13-deoxydaunorubicin hydroxylase) inhibitor; EC 1.14.13.67 (quinine 3-monooxygenase) inhibitor; P450 inhibitor
sulfapyridine	[no description available]	medium	1	0	pyridines; substituted aniline; sulfonamide antibiotic; sulfonamide	antiinfective agent; dermatologic drug; drug allergen; environmental contaminant; xenobiotic
sulfasalazine	[no description available]	medium	1	0
2-(octylamino)-1-[4-(propan-2-ylthio)phenyl]-1-propanol	[no description available]	medium	1	0	alkylbenzene
tegafur	[no description available]	medium	1	0	organohalogen compound; pyrimidines
tetracaine	[no description available]	medium	1	0	benzoate ester; tertiary amino compound	local anaesthetic
thiabendazole	[no description available]	medium	1	0	1,3-thiazoles; benzimidazole fungicide; benzimidazoles	antifungal agrochemical; antinematodal drug
tiaprofenic acid	[no description available]	medium	1	0	aromatic ketone; monocarboxylic acid; thiophenes	drug allergen; non-steroidal anti-inflammatory drug
ticlopidine	[no description available]	medium	1	0	monochlorobenzenes; thienopyridine	anticoagulant; fibrin modulating drug; hematologic agent; P2Y12 receptor antagonist; platelet aggregation inhibitor
tiopronin	[no description available]	medium	1	0	N-acyl-amino acid
tolazamide	[no description available]	medium	1	0	N-sulfonylurea	hypoglycemic agent; potassium channel blocker
tolperisone	[no description available]	medium	1	0	aromatic ketone
triclosan	[no description available]	medium	1	0	aromatic ether; dichlorobenzene; monochlorobenzenes; phenols	antibacterial agent; antimalarial; drug allergen; EC 1.3.1.9 [enoyl-[acyl-carrier-protein] reductase (NADH)] inhibitor; EC 1.5.1.3 (dihydrofolate reductase) inhibitor; fungicide; persistent organic pollutant; xenobiotic
triflupromazine	[no description available]	medium	5	0	organofluorine compound; phenothiazines; tertiary amine	anticoronaviral agent; antiemetic; dopaminergic antagonist; first generation antipsychotic
triflupromazine	[no description available]	medium	5	1	organofluorine compound; phenothiazines; tertiary amine	anticoronaviral agent; antiemetic; dopaminergic antagonist; first generation antipsychotic
trimethadione	[no description available]	medium	2	0	oxazolidinone	anticonvulsant; geroprotector
vesnarinone	[no description available]	medium	1	0	organic molecular entity
vigabatrin	[no description available]	medium	3	0	gamma-amino acid	anticonvulsant; EC 2.6.1.19 (4-aminobutyrate--2-oxoglutarate transaminase) inhibitor
ici 204,219	[no description available]	medium	1	0	carbamate ester; indoles; N-sulfonylcarboxamide	anti-asthmatic agent; leukotriene antagonist
guanidine hydrochloride	[no description available]	medium	1	0	one-carbon compound; organic chloride salt	protein denaturant
hydrocortisone acetate	[no description available]	medium	1	0	cortisol ester; tertiary alpha-hydroxy ketone
cortisone acetate	[no description available]	medium	1	0	corticosteroid hormone
mitomycin	[no description available]	medium	2	0	mitomycin	alkylating agent; antineoplastic agent
estriol	[no description available]	medium	1	0	16alpha-hydroxy steroid; 17beta-hydroxy steroid; 3-hydroxy steroid	estrogen; human metabolite; human xenobiotic metabolite; mouse metabolite
reserpine	[no description available]	medium	1	0	alkaloid ester; methyl ester; yohimban alkaloid	adrenergic uptake inhibitor; antihypertensive agent; EC 3.4.21.26 (prolyl oligopeptidase) inhibitor; environmental contaminant; first generation antipsychotic; plant metabolite; xenobiotic
phentolamine	[no description available]	medium	2	0	imidazoles; phenols; substituted aniline; tertiary amino compound	alpha-adrenergic antagonist; vasodilator agent
sorbitol	[no description available]	medium	1	0	glucitol	cathartic; Escherichia coli metabolite; food humectant; human metabolite; laxative; metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite; sweetening agent
floxuridine	[no description available]	medium	1	0	nucleoside analogue; organofluorine compound; pyrimidine 2'-deoxyribonucleoside	antimetabolite; antineoplastic agent; antiviral drug; radiosensitizing agent
piperonyl butoxide	[no description available]	medium	1	0	benzodioxoles	pesticide synergist
bromouracil	[no description available]	medium	2	0	nucleobase analogue; pyrimidines	mutagen
3,3',5-triiodothyroacetic acid	[no description available]	medium	1	0
histamine dihydrochloride	[no description available]	medium	1	0
thyroxine	[no description available]	medium	9	0	2-halophenol; iodophenol; L-phenylalanine derivative; non-proteinogenic L-alpha-amino acid; thyroxine zwitterion; thyroxine	antithyroid drug; human metabolite; mouse metabolite; thyroid hormone
dextroamphetamine	[no description available]	medium	1	0	1-phenylpropan-2-amine	adrenergic agent; adrenergic uptake inhibitor; dopamine uptake inhibitor; dopaminergic agent; neurotoxin; sympathomimetic agent
carbachol	[no description available]	medium	2	0	ammonium salt; carbamate ester	cardiotonic drug; miotic; muscarinic agonist; nicotinic acetylcholine receptor agonist; non-narcotic analgesic
norethindrone acetate	[no description available]	medium	1	0	3-oxo-Delta(4) steroid; acetate ester; terminal acetylenic compound	progestin; synthetic oral contraceptive
cyclobarbital	[no description available]	medium	1	0	barbiturates
allobarbital	[no description available]	medium	1	0	barbiturates
penicillamine	[no description available]	medium	1	0	non-proteinogenic alpha-amino acid; penicillamine	antirheumatic drug; chelator; copper chelator; drug allergen
trichlorfon	[no description available]	medium	1	0	organic phosphonate; organochlorine compound; phosphonic ester	agrochemical; anthelminthic drug; EC 3.1.1.7 (acetylcholinesterase) inhibitor; EC 3.1.1.8 (cholinesterase) inhibitor; insecticide
estrone	[no description available]	medium	2	0	17-oxo steroid; 3-hydroxy steroid; phenolic steroid; phenols	antineoplastic agent; bone density conservation agent; estrogen; human metabolite; mouse metabolite
oxandrolone	[no description available]	medium	1	0	17beta-hydroxy steroid; 3-oxo steroid; anabolic androgenic steroid; oxa-steroid	anabolic agent; androgen
dehydroepiandrosterone	[no description available]	medium	3	0	17-oxo steroid; 3beta-hydroxy-Delta(5)-steroid; androstanoid	androgen; human metabolite; mouse metabolite
nad	[no description available]	medium	1	0	NAD	geroprotector
pilocarpine	[no description available]	medium	2	0	pilocarpine	antiglaucoma drug
triiodothyronine	[no description available]	medium	8	0	2-halophenol; amino acid zwitterion; iodophenol; iodothyronine	human metabolite; mouse metabolite; thyroid hormone
glutamine	[no description available]	medium	5	0	amino acid zwitterion; glutamine family amino acid; glutamine; L-alpha-amino acid; polar amino acid zwitterion; proteinogenic amino acid	EC 1.14.13.39 (nitric oxide synthase) inhibitor; Escherichia coli metabolite; human metabolite; metabolite; micronutrient; mouse metabolite; nutraceutical; Saccharomyces cerevisiae metabolite
cetrimonium bromide	[no description available]	medium	1	0	organic bromide salt; quaternary ammonium salt	detergent; surfactant
physostigmine	[no description available]	medium	5	0	carbamate ester; indole alkaloid	antidote to curare poisoning; EC 3.1.1.8 (cholinesterase) inhibitor; miotic
physostigmine	[no description available]	medium	5	1	carbamate ester; indole alkaloid	antidote to curare poisoning; EC 3.1.1.8 (cholinesterase) inhibitor; miotic
sucrose	[no description available]	medium	3	0	glycosyl glycoside	algal metabolite; Escherichia coli metabolite; human metabolite; mouse metabolite; osmolyte; Saccharomyces cerevisiae metabolite; sweetening agent
testosterone propionate	[no description available]	medium	1	0	steroid ester
aminopyrine	[no description available]	medium	1	0	pyrazolone; tertiary amino compound	antipyretic; environmental contaminant; non-narcotic analgesic; non-steroidal anti-inflammatory drug; xenobiotic
methyltestosterone	[no description available]	medium	2	0	17beta-hydroxy steroid; 3-oxo-Delta(4) steroid; enone	anabolic agent; androgen; antineoplastic agent
tetrabenazine	[no description available]	medium	1	0	benzoquinolizine; cyclic ketone; tertiary amino compound
uridine	[no description available]	medium	2	0	uridines	drug metabolite; fundamental metabolite; human metabolite
niridazole	[no description available]	medium	1	0	1,3-thiazoles; C-nitro compound
carbaryl	[no description available]	medium	1	0	carbamate ester; naphthalenes	acaricide; agrochemical; carbamate insecticide; EC 3.1.1.7 (acetylcholinesterase) inhibitor; EC 3.1.1.8 (cholinesterase) inhibitor; plant growth retardant
lactose	[no description available]	medium	3	0	lactose
methionine	[no description available]	medium	4	0	aspartate family amino acid; L-alpha-amino acid; methionine zwitterion; methionine; proteinogenic amino acid	antidote to paracetamol poisoning; human metabolite; micronutrient; mouse metabolite; nutraceutical
Mebutamate	[no description available]	medium	1	0	organic molecular entity
norethynodrel	[no description available]	medium	1	0	oxo steroid
benziodarone	[no description available]	medium	1	0	aromatic ketone
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
cytarabine	[no description available]	medium	1	0	beta-D-arabinoside; monosaccharide derivative; pyrimidine nucleoside	antimetabolite; antineoplastic agent; antiviral agent; immunosuppressive agent
medroxyprogesterone acetate	[no description available]	medium	1	0	20-oxo steroid; 3-oxo-Delta(4) steroid; acetate ester; corticosteroid; steroid ester	adjuvant; androgen; antineoplastic agent; antioxidant; female contraceptive drug; inhibitor; progestin; synthetic oral contraceptive
mestranol	[no description available]	medium	1	0	17beta-hydroxy steroid; aromatic ether; terminal acetylenic compound	prodrug; xenoestrogen
methaqualone	[no description available]	high	5	3	quinazolines	GABA agonist; sedative
methaqualone	[no description available]	high	5	0	quinazolines	GABA agonist; sedative
trypan blue	[no description available]	medium	1	0
cordycepin	[no description available]	medium	1	0	3'-deoxyribonucleoside; adenosines	antimetabolite; nucleoside antibiotic
tryptophan	[no description available]	medium	2	0	erythrose 4-phosphate/phosphoenolpyruvate family amino acid; L-alpha-amino acid zwitterion; L-alpha-amino acid; proteinogenic amino acid; tryptophan zwitterion; tryptophan	antidepressant; Escherichia coli metabolite; human metabolite; micronutrient; mouse metabolite; nutraceutical; plant metabolite; Saccharomyces cerevisiae metabolite
arginine	[no description available]	medium	4	0	arginine; glutamine family amino acid; L-alpha-amino acid; proteinogenic amino acid	biomarker; Escherichia coli metabolite; micronutrient; mouse metabolite; nutraceutical
trichloroacetic acid	[no description available]	medium	1	0	monocarboxylic acid; organochlorine compound	carcinogenic agent; metabolite; mouse metabolite
allylpropymal	[no description available]	medium	1	0	barbiturates
butobarbital	[no description available]	medium	1	0	barbiturates
trichloroethylene	[no description available]	medium	1	0	chloroethenes	inhalation anaesthetic; mouse metabolite
dehydrocholic acid	[no description available]	medium	1	0	12-oxo steroid; 3-oxo-5beta-steroid; 7-oxo steroid; oxo-5beta-cholanic acid	gastrointestinal drug
synephrine	[no description available]	medium	1	0	ethanolamines; phenethylamine alkaloid; phenols	alpha-adrenergic agonist; plant metabolite
benzoyl peroxide	[no description available]	medium	1	0	carbonyl compound
furan	[no description available]	medium	1	0	furans; mancude organic heteromonocyclic parent; monocyclic heteroarene	carcinogenic agent; hepatotoxic agent; Maillard reaction product
phenformin	[no description available]	medium	1	0	biguanides	antineoplastic agent; geroprotector; hypoglycemic agent
mephobarbital	[no description available]	medium	1	0	barbiturates	anticonvulsant
hexachlorobenzene	[no description available]	medium	1	0	aromatic fungicide; chlorobenzenes	antifungal agrochemical; carcinogenic agent; persistent organic pollutant
trinitrotoluene	[no description available]	medium	1	0	trinitrotoluene	explosive
framycetin	[no description available]	medium	1	0	aminoglycoside	allergen; antibacterial drug; Escherichia coli metabolite
pyrazolanthrone	[no description available]	medium	1	0	anthrapyrazole; aromatic ketone; cyclic ketone	antineoplastic agent; c-Jun N-terminal kinase inhibitor; geroprotector
meglumine	[no description available]	medium	1	0	hexosamine; secondary amino compound
cinchophen	[no description available]	medium	1	0	quinolines
yohimbine	[no description available]	medium	2	0	methyl 17-hydroxy-20xi-yohimban-16-carboxylate	alpha-adrenergic antagonist; dopamine receptor D2 antagonist; serotonergic antagonist
mequinol	[no description available]	medium	1	0	methoxybenzenes; phenols	metabolite
quinestrol	[no description available]	medium	1	0	17-hydroxy steroid; terminal acetylenic compound	xenoestrogen
dydrogesterone	[no description available]	medium	1	0	20-oxo steroid; 3-oxo-Delta(4) steroid	progestin
ephedrine	[no description available]	medium	2	0	phenethylamine alkaloid; phenylethanolamines	bacterial metabolite; environmental contaminant; nasal decongestant; plant metabolite; sympathomimetic agent; vasoconstrictor agent; xenobiotic
chlormadinone acetate	[no description available]	medium	1	0	corticosteroid hormone
2,3-dimercaptosuccinic acid	[no description available]	medium	1	0
evans blue	[no description available]	medium	1	0	organic sodium salt	fluorochrome; histological dye; sodium channel blocker; teratogenic agent
testosterone enanthate	[no description available]	medium	1	0	heptanoate ester; sterol ester	androgen
aminophylline	[no description available]	medium	4	0	mixture	bronchodilator agent; cardiotonic drug
aminophylline	[no description available]	medium	4	2	mixture	bronchodilator agent; cardiotonic drug
phenyramidol	[no description available]	medium	1	0	aminopyridine
carbutamide	[no description available]	medium	1	0	benzenes; sulfonamide
nandrolone decanoate	[no description available]	medium	1	0	steroid ester
bucladesine	[no description available]	medium	1	0	3',5'-cyclic purine nucleotide; butanamides; butyrate ester	agonist; cardiotonic drug; vasodilator agent
perflubron	[no description available]	medium	1	0	haloalkane; organobromine compound; perfluorinated compound	blood substitute; radioopaque medium
cyproterone acetate	[no description available]	medium	2	0	20-oxo steroid; 3-oxo-Delta(4) steroid; acetate ester; chlorinated steroid; steroid ester	androgen antagonist; geroprotector; progestin
glycyrrhetinic acid	[no description available]	medium	1	0	cyclic terpene ketone; hydroxy monocarboxylic acid; pentacyclic triterpenoid	immunomodulator; plant metabolite
chenodeoxycholic acid	[no description available]	medium	1	0	bile acid; C24-steroid; dihydroxy-5beta-cholanic acid	human metabolite; mouse metabolite
dihydralazine	[no description available]	medium	1	0	phthalazines
phenylpropanolamine	[no description available]	medium	2	0	amphetamines; phenethylamine alkaloid	plant metabolite
dihydroergotamine	[no description available]	medium	3	0	ergot alkaloid; semisynthetic derivative	dopamine agonist; non-narcotic analgesic; serotonergic agonist; sympatholytic agent; vasoconstrictor agent
podophyllotoxin	[no description available]	medium	1	0	furonaphthodioxole; lignan; organic heterotetracyclic compound	antimitotic; antineoplastic agent; keratolytic drug; microtubule-destabilising agent; plant metabolite; tubulin modulator
hesperidin	[no description available]	medium	3	0	3'-hydroxyflavanones; 4'-methoxyflavanones; dihydroxyflavanone; disaccharide derivative; flavanone glycoside; monomethoxyflavanone; rutinoside	mutagen
gentian violet	[no description available]	medium	2	0	organic chloride salt	anthelminthic drug; antibacterial agent; antifungal agent; antiseptic drug; histological dye
hematoporphyrin	[no description available]	medium	1	0
lactulose	[no description available]	medium	1	0	glycosylfructose	gastrointestinal drug; laxative
megestrol acetate	[no description available]	medium	1	0	20-oxo steroid; 3-oxo-Delta(4) steroid; acetate ester; steroid ester	antineoplastic agent; appetite enhancer; contraceptive drug; progestin; synthetic oral contraceptive
erythromycin stearate	[no description available]	medium	1	0	aminoglycoside
estradiol valerate	[no description available]	medium	1	0	steroid ester
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
sulfadoxine	[no description available]	medium	1	0	pyrimidines; sulfonamide	antibacterial drug; antimalarial
acadesine	[no description available]	medium	2	0	1-ribosylimidazolecarboxamide; aminoimidazole; nucleoside analogue	antineoplastic agent; platelet aggregation inhibitor
iproclozide	[no description available]	medium	1	0	aromatic ether
carbenicillin disodium	[no description available]	medium	1	0	organic sodium salt
dehydroemetine	[no description available]	medium	1	0	aromatic ether; isoquinolines; pyridoisoquinoline	antileishmanial agent; antimalarial; antiprotozoal drug
benorilate	[no description available]	medium	1	0	carbonyl compound
trimetazidine	[no description available]	medium	1	0	aromatic amine
vidarabine	[no description available]	medium	1	0	beta-D-arabinoside; purine nucleoside	antineoplastic agent; bacterial metabolite; nucleoside antibiotic
tiadenol	[no description available]	medium	1	0	aliphatic sulfide
camptothecin	[no description available]	medium	1	0	delta-lactone; pyranoindolizinoquinoline; quinoline alkaloid; tertiary alcohol	antineoplastic agent; EC 5.99.1.2 (DNA topoisomerase) inhibitor; genotoxin; plant metabolite
stanozolol	[no description available]	medium	2	0	17beta-hydroxy steroid; anabolic androgenic steroid; organic heteropentacyclic compound; tertiary alcohol	anabolic agent; androgen
clodronic acid	[no description available]	medium	1	0	1,1-bis(phosphonic acid); one-carbon compound; organochlorine compound	antineoplastic agent; bone density conservation agent
xipamide	[no description available]	medium	1	0	benzamides
levamisole	[no description available]	medium	1	0	6-phenyl-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole	antinematodal drug; antirheumatic drug; EC 3.1.3.1 (alkaline phosphatase) inhibitor; immunological adjuvant; immunomodulator
thiamphenicol	[no description available]	medium	1	0	monocarboxylic acid amide; sulfone	antimicrobial agent; immunosuppressive agent
pizotyline	[no description available]	medium	1	0	benzocycloheptathiophene	histamine antagonist; muscarinic antagonist; serotonergic antagonist
danazol	[no description available]	medium	1	0	17beta-hydroxy steroid; terminal acetylenic compound	anti-estrogen; estrogen antagonist; geroprotector
daunorubicin	[no description available]	medium	1	0	aminoglycoside antibiotic; anthracycline; p-quinones; tetracenequinones	antineoplastic agent; bacterial metabolite
carbimazole	[no description available]	medium	1	0	1,3-dihydroimidazole-2-thiones; carbamate ester	antithyroid drug; prodrug
bromocriptine	[no description available]	medium	2	0	indole alkaloid	antidyskinesia agent; antiparkinson drug; dopamine agonist; hormone antagonist
triamcinolone	[no description available]	medium	1	0	11beta-hydroxy steroid; 16alpha-hydroxy steroid; 17alpha-hydroxy steroid; 20-oxo steroid; 21-hydroxy steroid; 3-oxo-Delta(4) steroid; C21-steroid hormone; fluorinated steroid; glucocorticoid; primary alpha-hydroxy ketone; tertiary alpha-hydroxy ketone	anti-allergic agent; anti-inflammatory drug
oxyphenisatin	[no description available]	medium	1	0	indoles
tetrachloroethylene	[no description available]	medium	1	0	chlorocarbon; chloroethenes	nephrotoxic agent
ursodeoxycholic acid	[no description available]	medium	1	0	bile acid; C24-steroid; dihydroxy-5beta-cholanic acid	human metabolite; mouse metabolite
butachlor	[no description available]	medium	1	0	aromatic amide; organochlorine compound; tertiary carboxamide	environmental contaminant; herbicide; xenobiotic
rose bengal b disodium salt	[no description available]	medium	1	0
glutamic acid	[no description available]	medium	16	0	glutamic acid; glutamine family amino acid; L-alpha-amino acid; proteinogenic amino acid	Escherichia coli metabolite; ferroptosis inducer; micronutrient; mouse metabolite; neurotransmitter; nutraceutical
nicergoline	[no description available]	medium	2	0	organic heterotetracyclic compound; organonitrogen heterocyclic compound
oxcarbazepine	[no description available]	medium	2	0	cyclic ketone; dibenzoazepine	anticonvulsant; drug allergen
amineptin	[no description available]	medium	1	0	amino acid; carbocyclic fatty acid; carbotricyclic compound; secondary amino compound	antidepressant; dopamine uptake inhibitor
pirprofen	[no description available]	medium	1	0	pyrroline
ticrynafen	[no description available]	medium	1	0	aromatic ether; aromatic ketone; dichlorobenzene; monocarboxylic acid; thiophenes	antihypertensive agent; hepatotoxic agent; loop diuretic
bezafibrate	[no description available]	medium	1	0	aromatic ether; monocarboxylic acid amide; monocarboxylic acid; monochlorobenzenes	antilipemic drug; environmental contaminant; geroprotector; xenobiotic
benoxaprofen	[no description available]	medium	1	0	1,3-benzoxazoles; monocarboxylic acid; monochlorobenzenes	antipsoriatic; antipyretic; EC 1.13.11.34 (arachidonate 5-lipoxygenase) inhibitor; hepatotoxic agent; nephrotoxin; non-narcotic analgesic; non-steroidal anti-inflammatory drug; protein kinase C agonist
permethrin	[no description available]	medium	2	0	cyclopropanecarboxylate ester; cyclopropanes	agrochemical; ectoparasiticide; pyrethroid ester acaricide; pyrethroid ester insecticide; scabicide
pirfenidone	[no description available]	medium	1	0	pyridone	antipyretic; non-narcotic analgesic; non-steroidal anti-inflammatory drug
desogestrel	[no description available]	medium	1	0	17beta-hydroxy steroid; terminal acetylenic compound	contraceptive drug; progestin; synthetic oral contraceptive
muzolimine	[no description available]	medium	1	0	dichlorobenzene
desflurane	[no description available]	medium	2	0	organofluorine compound	inhalation anaesthetic
foscarnet sodium	[no description available]	medium	1	0	one-carbon compound; organic sodium salt	antiviral drug
nicorandil	[no description available]	medium	1	0	nitrate ester; pyridinecarboxamide	potassium channel opener; vasodilator agent
cefaclor anhydrous	[no description available]	medium	1	0	cephalosporin	antibacterial drug; drug allergen
miglustat	[no description available]	medium	1	0	piperidines; tertiary amino compound	anti-HIV agent; EC 2.4.1.80 (ceramide glucosyltransferase) inhibitor
piritrexim	[no description available]	medium	1	0
atomoxetine hydrochloride	[no description available]	medium	1	0	hydrochloride	adrenergic uptake inhibitor; antidepressant
quinapril	[no description available]	medium	1	0	dicarboxylic acid monoester; ethyl ester; isoquinolines; tertiary carboxamide	antihypertensive agent; EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor; prodrug
gepirone	[no description available]	medium	3	0	N-arylpiperazine
clopidogrel	[no description available]	medium	1	0	methyl ester; monochlorobenzenes; thienopyridine	anticoagulant; P2Y12 receptor antagonist; platelet aggregation inhibitor
atorvastatin	[no description available]	medium	2	0	aromatic amide; dihydroxy monocarboxylic acid; monofluorobenzenes; pyrroles; statin (synthetic)	environmental contaminant; xenobiotic
duloxetine	[no description available]	medium	2	0	duloxetine
adefovir dipivoxil	[no description available]	medium	1	0	6-aminopurines; carbonate ester; ether; organic phosphonate	antiviral drug; DNA synthesis inhibitor; HIV-1 reverse transcriptase inhibitor; nephrotoxic agent; prodrug
capecitabine	[no description available]	medium	1	0	carbamate ester; cytidines; organofluorine compound	antimetabolite; antineoplastic agent; prodrug
adenosine	[no description available]	medium	5	0	adenosines; purines D-ribonucleoside	analgesic; anti-arrhythmia drug; fundamental metabolite; human metabolite; vasodilator agent
halofuginone	[no description available]	medium	1	0	quinazolines
ortho-cept	[no description available]	medium	1	0
4-[1-[4-[2-(dimethylamino)ethoxy]phenyl]-2-phenylbut-1-enyl]phenol	[no description available]	medium	1	0	stilbenoid
efavirenz	[no description available]	medium	1	0	acetylenic compound; benzoxazine; cyclopropanes; organochlorine compound; organofluorine compound	antiviral drug; HIV-1 reverse transcriptase inhibitor
nelfinavir	[no description available]	medium	1	0	aryl sulfide; benzamides; organic heterobicyclic compound; phenols; secondary alcohol; tertiary amino compound	antineoplastic agent; HIV protease inhibitor
doxapram hydrochloride	[no description available]	medium	1	0	hydrochloride	central nervous system stimulant
1,5-anhydroglucitol	[no description available]	medium	1	0	anhydro sugar	human metabolite
betulinic acid	[no description available]	medium	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
amprenavir	[no description available]	medium	1	0	carbamate ester; sulfonamide; tetrahydrofuryl ester	antiviral drug; HIV protease inhibitor
glutathione disulfide	[no description available]	medium	1	0	glutathione derivative; organic disulfide	Escherichia coli metabolite; mouse metabolite
bendamustine	[no description available]	medium	1	0	benzimidazoles
erdosteine	[no description available]	medium	1	0	N-acyl-amino acid
mizolastine	[no description available]	medium	1	0	benzimidazoles
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
medetomidine	[no description available]	medium	2	0	imidazoles
sertraline	[no description available]	medium	3	0	dichlorobenzene; secondary amino compound; tetralins	antidepressant; serotonin uptake inhibitor
picosulfate sodium	[no description available]	medium	1	0	aryl sulfate; pyridines
dienogest	[no description available]	medium	1	0	17beta-hydroxy steroid; 3-oxo-Delta(4) steroid; aliphatic nitrile; steroid hormone	progesterone receptor agonist; progestin; synthetic oral contraceptive
morphazinamide	[no description available]	medium	1	0	morpholines; pyrazines; secondary carboxamide
cyclobutyrol	[no description available]	medium	1	0	hydroxy monocarboxylic acid	bile therapy drug
terlipressin	[no description available]	medium	1	0	polypeptide
isoflavone	[no description available]	medium	1	0	isoflavones
clevudine	[no description available]	medium	1	0
tetrandrine	[no description available]	medium	1	0	bisbenzylisoquinoline alkaloid; isoquinolines
lopinavir	[no description available]	medium	1	0	amphetamines; dicarboxylic acid diamide	anticoronaviral agent; antiviral drug; HIV protease inhibitor
sr141716	[no description available]	medium	1	0	amidopiperidine; carbohydrazide; dichlorobenzene; monochlorobenzenes; pyrazoles	anti-obesity agent; appetite depressant; CB1 receptor antagonist
selenomethionine	[no description available]	medium	1	0	amino acid zwitterion; selenomethionine	plant metabolite
perindopril	[no description available]	medium	1	0	alpha-amino acid ester; dicarboxylic acid monoester; ethyl ester; organic heterobicyclic compound	antihypertensive agent; EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor
fingolimod	[no description available]	medium	1	0	aminodiol; primary amino compound	antineoplastic agent; CB1 receptor antagonist; immunosuppressive agent; prodrug; sphingosine-1-phosphate receptor agonist
nitisinone	[no description available]	medium	1	0	(trifluoromethyl)benzenes; C-nitro compound; cyclohexanones; mesotrione	EC 1.13.11.27 (4-hydroxyphenylpyruvate dioxygenase) inhibitor
marimastat	[no description available]	medium	1	0	hydroxamic acid; secondary carboxamide	antineoplastic agent; matrix metalloproteinase inhibitor
clofarabine	[no description available]	medium	1	0	adenosines; organofluorine compound	antimetabolite; antineoplastic agent
mitiglinide	[no description available]	medium	1	0	benzenes; monocarboxylic acid
imatinib mesylate	[no description available]	medium	1	0	methanesulfonate salt	anticoronaviral agent; antineoplastic agent; apoptosis inducer; tyrosine kinase inhibitor
n(6)-(3-iodobenzyl)-5'-n-methylcarboxamidoadenosine	[no description available]	medium	1	0	adenosines; monocarboxylic acid amide; organoiodine compound	adenosine A3 receptor agonist
antiprimod	[no description available]	medium	1	0
olmesartan medoxomil	[no description available]	medium	1	0	biphenyls
ilomastat	[no description available]	medium	1	0	hydroxamic acid; L-tryptophan derivative; N-acyl-amino acid	anti-inflammatory agent; antibacterial agent; antineoplastic agent; EC 3.4.24.24 (gelatinase A) inhibitor; neuroprotective agent
atazanavir	[no description available]	medium	1	0	carbohydrazide	antiviral drug; HIV protease inhibitor
cariporide	[no description available]	medium	1	0
jtt 501	[no description available]	medium	1	0
cyc 202	[no description available]	medium	1	0	2,6-diaminopurines	antiviral drug; EC 2.7.11.22 (cyclin-dependent kinase) inhibitor
paromomycin	[no description available]	medium	1	0	amino cyclitol glycoside; aminoglycoside antibiotic	anthelminthic drug; antibacterial drug; antiparasitic agent; antiprotozoal drug
avasimibe	[no description available]	medium	1	0	monoterpenoid
biotin	[no description available]	medium	1	0	biotins; vitamin B7	coenzyme; cofactor; Escherichia coli metabolite; fundamental metabolite; human metabolite; mouse metabolite; nutraceutical; prosthetic group; Saccharomyces cerevisiae metabolite
troleandomycin	[no description available]	medium	1	0	acetate ester; epoxide; macrolide antibiotic; monosaccharide derivative; polyketide; semisynthetic derivative	EC 1.14.13.97 (taurochenodeoxycholate 6alpha-hydroxylase) inhibitor; xenobiotic
deferasirox	[no description available]	medium	1	0	benzoic acids; monocarboxylic acid; phenols; triazoles	iron chelator
tbc-11251	[no description available]	medium	1	0	benzodioxoles
sitosterol, (3beta)-isomer	[no description available]	medium	1	0	3beta-hydroxy-Delta(5)-steroid; 3beta-sterol; C29-steroid; phytosterols; stigmastane sterol	anticholesteremic drug; antioxidant; mouse metabolite; plant metabolite; sterol methyltransferase inhibitor
benzarone	[no description available]	medium	1	0	1-benzofurans
estramustine	[no description available]	medium	1	0	17beta-hydroxy steroid; carbamate ester; organochlorine compound	alkylating agent; antineoplastic agent; radiation protective agent
noscapine	[no description available]	medium	1	0	aromatic ether; benzylisoquinoline alkaloid; cyclic acetal; isobenzofuranone; organic heterobicyclic compound; organic heterotricyclic compound; tertiary amino compound	antineoplastic agent; antitussive; apoptosis inducer; plant metabolite
homoharringtonine	[no description available]	medium	1	0	alkaloid ester; enol ether; organic heteropentacyclic compound; tertiary alcohol	anticoronaviral agent; antineoplastic agent; apoptosis inducer; protein synthesis inhibitor
o-(chloroacetylcarbamoyl)fumagillol	[no description available]	medium	1	0	carbamate ester; organochlorine compound; semisynthetic derivative; sesquiterpenoid; spiro-epoxide	angiogenesis inhibitor; antineoplastic agent; EC 1.5.1.3 (dihydrofolate reductase) inhibitor; methionine aminopeptidase 2 inhibitor; retinoic acid receptor alpha antagonist
nexavar	[no description available]	medium	1	0	organosulfonate salt
glucosamine	[no description available]	medium	1	0	D-glucosamine	Escherichia coli metabolite; geroprotector; mouse metabolite
griseofulvin	[no description available]	medium	1	0	1-benzofurans; antibiotic antifungal drug; benzofuran antifungal drug; organochlorine compound; oxaspiro compound	antibacterial agent; Penicillium metabolite
trimethaphan camsylate	[no description available]	medium	1	0
erythromycin estolate	[no description available]	medium	1	0	aminoglycoside sulfate salt; erythromycin derivative	enzyme inhibitor
cyclopamine	[no description available]	medium	1	0	piperidines	glioma-associated oncogene inhibitor
doxorubicin hydrochloride	[no description available]	medium	1	0	anthracycline
erythromycin ethylsuccinate	[no description available]	medium	1	0	cyclic ketone; erythromycin derivative; ethyl ester; succinate ester
ao 128	[no description available]	medium	1	0	organic molecular entity
retinol	[no description available]	medium	1	0	retinol; vitamin A	human metabolite; mouse metabolite; plant metabolite
alpha-D-fructofuranose 1,6-bisphosphate	[no description available]	medium	1	0	D-fructofuranose 1,6-bisphosphate
docosahexaenoate	[no description available]	medium	1	0	docosahexaenoic acid; omega-3 fatty acid	algal metabolite; antineoplastic agent; Daphnia tenebrosa metabolite; human metabolite; mouse metabolite; nutraceutical
oleic acid	[no description available]	medium	2	0	octadec-9-enoic acid	antioxidant; Daphnia galeata metabolite; EC 3.1.1.1 (carboxylesterase) inhibitor; Escherichia coli metabolite; mouse metabolite; plant metabolite; solvent
eicosapentaenoic acid	[no description available]	medium	1	0	icosapentaenoic acid; omega-3 fatty acid	anticholesteremic drug; antidepressant; antineoplastic agent; Daphnia galeata metabolite; fungal metabolite; micronutrient; mouse metabolite; nutraceutical
drf 2725	[no description available]	medium	1	0
diethylstilbestrol	[no description available]	medium	2	0	olefinic compound; polyphenol	antifungal agent; antineoplastic agent; autophagy inducer; calcium channel blocker; carcinogenic agent; EC 1.1.1.146 (11beta-hydroxysteroid dehydrogenase) inhibitor; EC 3.6.3.10 (H(+)/K(+)-exchanging ATPase) inhibitor; endocrine disruptor; xenoestrogen
alitretinoin	[no description available]	medium	1	0	retinoic acid	antineoplastic agent; keratolytic drug; metabolite; retinoid X receptor agonist
dactinomycin	[no description available]	medium	2	0	actinomycin	mutagen
rubitecan	[no description available]	medium	1	0	C-nitro compound; delta-lactone; pyranoindolizinoquinoline; semisynthetic derivative; tertiary alcohol	antineoplastic agent; EC 5.99.1.2 (DNA topoisomerase) inhibitor; prodrug
riboflavin	[no description available]	medium	1	0	flavin; vitamin B2	anti-inflammatory agent; antioxidant; cofactor; Escherichia coli metabolite; food colouring; fundamental metabolite; human urinary metabolite; mouse metabolite; photosensitizing agent; plant metabolite
sodium bicarbonate	[no description available]	medium	1	0	one-carbon compound; organic sodium salt	antacid; food anticaking agent
sodium acetate, anhydrous	[no description available]	medium	1	0	organic sodium salt	NMR chemical shift reference compound
sodium benzoate	[no description available]	medium	1	0	organic sodium salt	algal metabolite; antimicrobial food preservative; drug allergen; EC 1.13.11.33 (arachidonate 15-lipoxygenase) inhibitor; EC 3.1.1.3 (triacylglycerol lipase) inhibitor; human xenobiotic metabolite; plant metabolite
dipyrone	[no description available]	medium	1	0	organic sodium salt	anti-inflammatory agent; antipyretic; antirheumatic drug; cyclooxygenase 3 inhibitor; non-narcotic analgesic; peripheral nervous system drug; prodrug
ditiocarb sodium	[no description available]	medium	1	0	organic molecular entity
carbenoxolone	[no description available]	medium	1	0
discodermolide	[no description available]	medium	1	0	diterpenoid
cannabidiol	[no description available]	medium	1	0	olefinic compound; phytocannabinoid; resorcinols	antimicrobial agent; plant metabolite
prothionamide	[no description available]	medium	1	0	pyridines
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
capsaicin	[no description available]	medium	1	0	capsaicinoid	non-narcotic analgesic; TRPV1 agonist; voltage-gated sodium channel blocker
thioguanine anhydrous	[no description available]	medium	1	0	2-aminopurines	anticoronaviral agent; antimetabolite; antineoplastic agent
tacrine hydrochloride	[no description available]	medium	1	0
sodium propionate	[no description available]	medium	1	0	organic sodium salt	antifungal drug; food preservative
streptozocin	[no description available]	medium	1	0
ethionamide	[no description available]	medium	1	0	pyridines; thiocarboxamide	antilipemic drug; antitubercular agent; fatty acid synthesis inhibitor; leprostatic drug; prodrug
fusidic acid	[no description available]	medium	1	0	11alpha-hydroxy steroid; 3alpha-hydroxy steroid; alpha,beta-unsaturated monocarboxylic acid; steroid acid; steroid antibiotic; sterol ester	EC 2.7.1.33 (pantothenate kinase) inhibitor; Escherichia coli metabolite; protein synthesis inhibitor
estrone sulfate	[no description available]	medium	1	0	17-oxo steroid; steroid sulfate	human metabolite; mouse metabolite
toremifene	[no description available]	medium	1	0	aromatic ether; organochlorine compound; tertiary amine	antineoplastic agent; bone density conservation agent; estrogen antagonist; estrogen receptor modulator
telaprevir	[no description available]	medium	1	0	cyclopentapyrrole; cyclopropanes; oligopeptide; pyrazines	antiviral drug; hepatitis C protease inhibitor; peptidomimetic
droloxifene	[no description available]	medium	1	0	stilbenoid
orlistat	[no description available]	medium	1	0	beta-lactone; carboxylic ester; formamides; L-leucine derivative	anti-obesity agent; bacterial metabolite; EC 2.3.1.85 (fatty acid synthase) inhibitor; EC 3.1.1.3 (triacylglycerol lipase) inhibitor
idoxifene	[no description available]	medium	1	0	stilbenoid
zd 6474	[no description available]	medium	1	0	aromatic ether; organobromine compound; organofluorine compound; piperidines; quinazolines; secondary amine	antineoplastic agent; tyrosine kinase inhibitor
silybin	[no description available]	medium	1	0
chloramine-t	[no description available]	medium	1	0	organic sodium salt	allergen; antifouling biocide; disinfectant
flosequinan	[no description available]	medium	1	0	quinolines
dinoprostone	[no description available]	medium	1	0	prostaglandins E	human metabolite; mouse metabolite; oxytocic
dinoprost	[no description available]	medium	1	0	monocarboxylic acid; prostaglandins Falpha	human metabolite; mouse metabolite
calcitriol	[no description available]	medium	1	0	D3 vitamins; hydroxycalciol; triol	antineoplastic agent; antipsoriatic; bone density conservation agent; calcium channel agonist; calcium channel modulator; hormone; human metabolite; immunomodulator; metabolite; mouse metabolite; nutraceutical
beta carotene	[no description available]	medium	1	0	carotenoid beta-end derivative; cyclic carotene	antioxidant; biological pigment; cofactor; ferroptosis inhibitor; human metabolite; mouse metabolite; plant metabolite; provitamin A
alprostadil	[no description available]	medium	4	0	prostaglandins E	anticoagulant; human metabolite; platelet aggregation inhibitor; vasodilator agent
cholecalciferol	[no description available]	medium	2	0	D3 vitamins; hydroxy seco-steroid; seco-cholestane; secondary alcohol; steroid hormone	geroprotector; human metabolite
amphotericin b	[no description available]	medium	1	0	antibiotic antifungal drug; macrolide antibiotic; polyene antibiotic	antiamoebic agent; antiprotozoal drug; bacterial metabolite
oxymetholone	[no description available]	medium	1	0
mycophenolate mofetil	[no description available]	medium	1	0	carboxylic ester; ether; gamma-lactone; phenols; tertiary amino compound	anticoronaviral agent; EC 1.1.1.205 (IMP dehydrogenase) inhibitor; immunosuppressive agent; prodrug
astaxanthine	[no description available]	medium	1	0	carotenol; carotenone	animal metabolite; anticoagulant; antioxidant; food colouring; plant metabolite
diosmin	[no description available]	medium	1	0	dihydroxyflavanone; disaccharide derivative; glycosyloxyflavone; monomethoxyflavone; rutinoside	anti-inflammatory agent; antioxidant
cynarine	[no description available]	medium	1	0	alkyl caffeate ester; quinic acid	plant metabolite
coenzyme q10	[no description available]	medium	1	0	ubiquinones	antioxidant; ferroptosis inhibitor; human metabolite
tranilast	[no description available]	medium	1	0	amidobenzoic acid; cinnamamides; dimethoxybenzene; secondary carboxamide	anti-allergic agent; anti-asthmatic drug; antineoplastic agent; aryl hydrocarbon receptor agonist; calcium channel blocker; hepatoprotective agent; nephroprotective agent
etretinate	[no description available]	medium	1	0	enoate ester; ethyl ester; retinoid	keratolytic drug
isotretinoin	[no description available]	medium	1	0	retinoic acid	antineoplastic agent; keratolytic drug; teratogenic agent
misoprostol	[no description available]	medium	1	0
ozagrel	[no description available]	medium	1	0	cinnamic acids
pitavastatin	[no description available]	medium	1	0	cyclopropanes; dihydroxy monocarboxylic acid; monofluorobenzenes; quinolines; statin (synthetic)	antioxidant
alatrofloxacin mesylate	[no description available]	medium	1	0
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
acitretin	[no description available]	medium	1	0	acitretin; alpha,beta-unsaturated monocarboxylic acid; retinoid	keratolytic drug
dothiepin	[no description available]	medium	1	0	dothiepin
levetiracetam	[no description available]	medium	2	0	pyrrolidin-2-ones	anticonvulsant; environmental contaminant; xenobiotic
oxymorphone	[no description available]	medium	1	0	morphinane alkaloid
topiramate	[no description available]	medium	3	0	cyclic ketal; ketohexose derivative; sulfamate ester	anticonvulsant; sodium channel blocker
seocalcitol	[no description available]	medium	1	0
fenretinide	[no description available]	medium	1	0	monocarboxylic acid amide; retinoid	antineoplastic agent; antioxidant
geldanamycin	[no description available]	medium	1	0	1,4-benzoquinones; ansamycin; carbamate ester; organic heterobicyclic compound	antimicrobial agent; antineoplastic agent; antiviral agent; cysteine protease inhibitor; Hsp90 inhibitor
demycarosylturimycin h	[no description available]	medium	1	0
furazolidone	[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
orantinib	[no description available]	medium	1	0
molsidomine	[no description available]	medium	1	0	ethyl ester; morpholines; oxadiazole; zwitterion	antioxidant; apoptosis inhibitor; cardioprotective agent; nitric oxide donor; vasodilator agent
dextromethorphan	[no description available]	medium	3	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
ramipril	[no description available]	medium	1	0	azabicycloalkane; cyclopentapyrrole; dicarboxylic acid monoester; dipeptide; ethyl ester	bradykinin receptor B2 agonist; cardioprotective agent; EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor; matrix metalloproteinase inhibitor; prodrug
enalapril	[no description available]	medium	1	0	dicarboxylic acid monoester; dipeptide	antihypertensive agent; EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor; geroprotector; prodrug
nitrofurazone	[no description available]	medium	1	0
bleomycin	[no description available]	medium	1	0	bleomycin	antineoplastic agent; metabolite
imidapril	[no description available]	medium	1	0	dicarboxylic acid monoester; dipeptide; ethyl ester; imidazolidines; N-acylurea; secondary amino compound	antihypertensive agent; EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor; prodrug
sulindac sulfone	[no description available]	medium	1	0	monocarboxylic acid; organofluorine compound; sulfone	apoptosis inducer; cyclooxygenase 2 inhibitor; EC 1.13.11.34 (arachidonate 5-lipoxygenase) inhibitor
ximelagatran	[no description available]	medium	1	0	amidoxime; azetidines; carboxamide; ethyl ester; hydroxylamines; secondary amino compound; secondary carboxamide; tertiary carboxamide	anticoagulant; EC 3.4.21.5 (thrombin) inhibitor; prodrug; serine protease inhibitor
trandolapril	[no description available]	medium	1	0	dicarboxylic acid monoester; dipeptide; ethyl ester; organic heterobicyclic compound; secondary amino compound; tertiary carboxamide	antihypertensive agent; EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor; prodrug
guanabenz acetate	[no description available]	medium	1	0	dichlorobenzene	geroprotector
proguanil	[no description available]	medium	1	0	biguanides; monochlorobenzenes	antimalarial; antiprotozoal drug; EC 1.5.1.3 (dihydrofolate reductase) inhibitor
rifamycin sv	[no description available]	medium	1	0	acetate ester; cyclic ketal; lactam; macrocycle; organic heterotetracyclic compound; polyphenol; rifamycins	antimicrobial agent; antitubercular agent; bacterial metabolite
epoprostenol sodium	[no description available]	medium	1	0	prostanoid
dantrolene sodium	[no description available]	medium	1	0
roxithromycin	[no description available]	medium	1	0	roxithromycin	environmental contaminant; xenobiotic
beraprost	[no description available]	medium	1	0	enyne; monocarboxylic acid; organic heterotricyclic compound; secondary alcohol; secondary allylic alcohol	anti-inflammatory agent; antihypertensive agent; platelet aggregation inhibitor; prostaglandin receptor agonist; vasodilator agent
lanreotide	[no description available]	medium	1	0
lu 208075	[no description available]	medium	1	0	diarylmethane
acetylcarnitine	[no description available]	medium	1	0	O-acetylcarnitine; saturated fatty acyl-L-carnitine	human metabolite; Saccharomyces cerevisiae metabolite
nifurtoinol	[no description available]	medium	1	0	hydrazone; imidazolidine-2,4-dione; nitrofuran antibiotic; organonitrogen heterocyclic antibiotic	antibacterial drug; antiinfective agent; hepatotoxic agent
fosinopril	[no description available]	medium	1	0
eflucimibe	[no description available]	medium	1	0
etomoxir	[no description available]	medium	1	0	aromatic ether
pentagastrin	[no description available]	medium	1	0	organic molecular entity
azd 6244	[no description available]	medium	1	0	benzimidazoles; bromobenzenes; hydroxamic acid ester; monochlorobenzenes; organofluorine compound; secondary amino compound	anticoronaviral agent; antineoplastic agent; EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor
vinflunine	[no description available]	medium	1	0	acetate ester; methyl ester; organic heteropentacyclic compound; organic heterotetracyclic compound; semisynthetic derivative; vinca alkaloid	antineoplastic agent
baci-im	[no description available]	medium	1	0	homodetic cyclic peptide; polypeptide; zwitterion	antibacterial agent; antimicrobial agent
pf 03491390	[no description available]	medium	1	0
amodiaquine hydrochloride	[no description available]	medium	1	0
tannins	[no description available]	medium	1	0	tannin
mesna	[no description available]	medium	1	0	organosulfonic acid
cerivastatin sodium	[no description available]	medium	1	0	organic sodium salt; statin (synthetic)
monensin	[no description available]	medium	1	0
oxacillin sodium	[no description available]	medium	1	0	organic sodium salt
sodium diatrizoate	[no description available]	medium	1	0	organic sodium salt; organoiodine compound	radioopaque medium
ascorbic acid	[no description available]	medium	2	0	ascorbic acid; vitamin C	coenzyme; cofactor; flour treatment agent; food antioxidant; food colour retention agent; geroprotector; plant metabolite; skin lightening agent
novobiocin	[no description available]	medium	1	0	carbamate ester; ether; hexoside; hydroxycoumarin; monocarboxylic acid amide; monosaccharide derivative; phenols	antibacterial agent; antimicrobial agent; EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor; Escherichia coli metabolite; hepatoprotective agent
dicumarol	[no description available]	medium	1	0	hydroxycoumarin	anticoagulant; EC 1.6.5.2 [NAD(P)H dehydrogenase (quinone)] inhibitor; Hsp90 inhibitor; vitamin K antagonist
piroxicam	[no description available]	medium	1	0	benzothiazine; monocarboxylic acid amide; pyridines	analgesic; antirheumatic drug; cyclooxygenase 1 inhibitor; EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor; non-steroidal anti-inflammatory drug
acenocoumarol	[no description available]	medium	1	0	C-nitro compound; hydroxycoumarin; methyl ketone	anticoagulant; EC 1.6.5.2 [NAD(P)H dehydrogenase (quinone)] inhibitor
phenprocoumon	[no description available]	medium	1	0	hydroxycoumarin	anticoagulant; EC 1.6.5.2 [NAD(P)H dehydrogenase (quinone)] inhibitor
lornoxicam	[no description available]	medium	1	0	heteroaryl hydroxy compound; monocarboxylic acid amide; organochlorine compound; pyridines; thienothiazine	antipyretic; non-narcotic analgesic; non-steroidal anti-inflammatory drug
entecavir	[no description available]	medium	1	0	2-aminopurines; oxopurine; primary alcohol; secondary alcohol	antiviral drug; EC 2.7.7.49 (RNA-directed DNA polymerase) inhibitor
inosine	[no description available]	medium	4	0	inosines; purines D-ribonucleoside	Escherichia coli metabolite; human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite
folic acid	[no description available]	medium	2	0	folic acids; N-acyl-amino acid	human metabolite; mouse metabolite; nutrient
oxypurinol	[no description available]	medium	1	0	pyrazolopyrimidine	drug metabolite; EC 1.17.3.2 (xanthine oxidase) inhibitor
raltitrexed	[no description available]	medium	1	0	N-acyl-amino acid
alanosine	[no description available]	medium	1	0
dan 2163	[no description available]	medium	1	0	aromatic amide; aromatic amine; benzamides; pyrrolidines; sulfone	environmental contaminant; second generation antipsychotic; xenobiotic
aniracetam	[no description available]	medium	1	0	N-acylpyrrolidine; pyrrolidin-2-ones
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
etizolam	[no description available]	medium	3	0	organic molecular entity
sch 16134	[no description available]	medium	9	0	benzodiazepine
sch 16134	[no description available]	medium	9	3	benzodiazepine
quetiapine	[no description available]	medium	1	0	dibenzothiazepine; N-alkylpiperazine; N-arylpiperazine	adrenergic antagonist; dopaminergic antagonist; histamine antagonist; second generation antipsychotic; serotonergic antagonist
ropinirole	[no description available]	medium	1	0	indolones; tertiary amine	antidyskinesia agent; antiparkinson drug; central nervous system drug; dopamine agonist
talipexole	[no description available]	medium	1	0	azepine
zonisamide	[no description available]	medium	2	0	1,2-benzoxazoles; sulfonamide	anticonvulsant; antioxidant; central nervous system drug; protective agent; T-type calcium channel blocker
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
progabide	[no description available]	medium	5	0	diarylmethane
pergolide	[no description available]	medium	1	0	diamine; methyl sulfide; organic heterotetracyclic compound	antiparkinson drug; dopamine agonist
alpidem	[no description available]	medium	9	0	imidazoles
sertindole	[no description available]	medium	1	0	heteroarylpiperidine; imidazolidinone; organochlorine compound; organofluorine compound; phenylindole	alpha-adrenergic antagonist; H1-receptor antagonist; second generation antipsychotic; serotonergic antagonist
tianeptine	[no description available]	medium	1	0	dibenzothiazepine; monocarboxylic acid; organochlorine compound
metaclazepam	[no description available]	medium	1	0	benzodiazepine
pramipexole	[no description available]	medium	1	0	benzothiazoles; diamine	antidyskinesia agent; antiparkinson drug; dopamine agonist; radical scavenger
escitalopram	[no description available]	medium	1	0	1-[3-(dimethylamino)propyl]-1-(4-fluorophenyl)-1,3-dihydro-2-benzofuran-5-carbonitrile	antidepressant; EC 3.4.21.26 (prolyl oligopeptidase) inhibitor
milnacipran	[no description available]	medium	1	0	acetamides
pk 11195	[no description available]	medium	39	0	aromatic amide; isoquinolines; monocarboxylic acid amide; monochlorobenzenes	antineoplastic agent
cb 34	[no description available]	medium	1	0
daa 1106	[no description available]	medium	1	0
phenazepam	[no description available]	medium	6	0
uric acid	[no description available]	medium	1	0	uric acid	Escherichia coli metabolite; human metabolite; mouse metabolite
corticosterone	[no description available]	medium	14	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
methane	[no description available]	medium	1	0	alkane; gas molecular entity; mononuclear parent hydride; one-carbon compound	bacterial metabolite; fossil fuel; greenhouse gas
cyclobenzaprine	[no description available]	medium	1	0	carbotricyclic compound	antidepressant; muscle relaxant; tranquilizing drug
cyclic gmp	[no description available]	medium	9	0	3',5'-cyclic purine nucleotide; guanyl ribonucleotide	Escherichia coli metabolite; human metabolite; mouse metabolite; plant metabolite; Saccharomyces cerevisiae metabolite
paclitaxel	[no description available]	medium	1	0	(2S)-flavan-4-one; 4'-hydroxyflavanones; trihydroxyflavanone	T-type calcium channel blocker
azides	[no description available]	medium	42	0	pseudohalide anion	mitochondrial respiratory-chain inhibitor
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
silver	[no description available]	medium	3	0	copper group element atom; elemental silver	Escherichia coli metabolite
4-amino-3-phenylbutyric acid	[no description available]	medium	3	0	organonitrogen compound; organooxygen compound
tp 7	[no description available]	medium	1	0
tiletamine	[no description available]	medium	1	0	aralkylamine
acepromazine	[no description available]	medium	3	1	aromatic ketone; methyl ketone; phenothiazines; tertiary amino compound	phenothiazine antipsychotic drug
zolazepam	[no description available]	medium	1	0
methacrylic acid	[no description available]	medium	1	0	alpha,beta-unsaturated monocarboxylic acid
lauryl methacrylate	[no description available]	medium	1	0
ethylene dimethacrylate	[no description available]	medium	1	0	enoate ester	allergen; cross-linking reagent; polymerisation monomer
n-methyl-3,4-methylenedioxyamphetamine	[no description available]	medium	22	0	amphetamines; benzodioxoles	neurotoxin
lysergic acid diethylamide	[no description available]	medium	9	0	ergoline alkaloid; monocarboxylic acid amide; organic heterotetracyclic compound	dopamine agonist; hallucinogen; serotonergic agonist
pentylenetetrazole	[no description available]	medium	43	1	organic heterobicyclic compound; organonitrogen heterocyclic compound
beta-escin	[no description available]	medium	4	0
8-hydroxy-2-(di-n-propylamino)tetralin	[no description available]	medium	7	0	phenols; tertiary amino compound; tetralins	serotonergic antagonist
muscimol	[no description available]	medium	278	0	alkaloid; isoxazoles; primary amino compound	fungal metabolite; GABA agonist; oneirogen; psychotropic drug
picrotoxin	[no description available]	medium	44	0
heroin	[no description available]	medium	7	1	morphinane alkaloid	mu-opioid receptor agonist; opioid analgesic; prodrug
dizocilpine maleate	[no description available]	medium	16	0	maleate salt; tetracyclic antidepressant	anaesthetic; anticonvulsant; neuroprotective agent; nicotinic antagonist; NMDA receptor antagonist
gaboxadol	[no description available]	medium	13	0	oxazole
isoxazoles	[no description available]	medium	15	0	isoxazoles; mancude organic heteromonocyclic parent; monocyclic heteroarene
dantrolene	[no description available]	medium	2	0	hydrazone; imidazolidine-2,4-dione	muscle relaxant; neuroprotective agent; ryanodine receptor antagonist
buprenorphine	[no description available]	medium	22	3	morphinane alkaloid	delta-opioid receptor antagonist; kappa-opioid receptor antagonist; mu-opioid receptor agonist; opioid analgesic
sodium oxybate	[no description available]	medium	41	2
beta-thujone	[no description available]	medium	1	0	beta-thujone
n-methyl-n-(trimethylsilyl)trifluoroacetamide	[no description available]	medium	1	0	monocarboxylic acid amide; N-silyl compound; trifluoroacetamide	chromatographic reagent
6-o-monoacetylmorphine	[no description available]	medium	3	0	morphinane alkaloid
dihydrocodeine	[no description available]	medium	1	0	morphinane alkaloid
benzhydrylurea	[no description available]	medium	1	0
veratrine	[no description available]	medium	1	0	alkaloid
carvone	[no description available]	medium	1	0	botanical anti-fungal agent; carvones	allergen
tetrazepam	[no description available]	medium	3	0	benzodiazepine
tert-butylbicyclophosphorothionate	[no description available]	medium	112	0	organic thiophosphate
7-nitroindazole	[no description available]	medium	4	0
indazoles	[no description available]	medium	5	0	indazole
tandospirone	[no description available]	medium	1	0	bridged compound; dicarboximide; N-alkylpiperazine; N-arylpiperazine; pyrimidines	antidepressant; anxiolytic drug
dehydroepiandrosterone sulfate	[no description available]	medium	4	0	17-oxo steroid; steroid sulfate	EC 2.7.1.33 (pantothenate kinase) inhibitor; human metabolite; mouse metabolite
ng-nitroarginine methyl ester	[no description available]	medium	4	0	alpha-amino acid ester; L-arginine derivative; methyl ester; N-nitro compound	EC 1.14.13.39 (nitric oxide synthase) inhibitor
sildenafil citrate	[no description available]	medium	1	0	citrate salt	EC 3.1.4.35 (3',5'-cyclic-GMP phosphodiesterase) inhibitor; vasodilator agent
lupeol	[no description available]	medium	1	0	pentacyclic triterpenoid; secondary alcohol	anti-inflammatory drug; plant metabolite
betulin	[no description available]	medium	1	0	diol; pentacyclic triterpenoid	analgesic; anti-inflammatory agent; antineoplastic agent; antiviral agent; metabolite
piperidines	[no description available]	medium	8	0
cyclohexanol	[no description available]	medium	2	0	cyclohexanols; secondary alcohol	solvent
chlorine	[no description available]	medium	127	0	halide anion; monoatomic chlorine	cofactor; Escherichia coli metabolite; human metabolite
3',6-dinitroflavone	[no description available]	medium	2	0
4-hydroxy-2-nonenal	[no description available]	medium	1	0	4-hydroxynon-2-enal; 4-hydroxynonenal
tert-butylbicyclo-2-benzoate	[no description available]	medium	8	0
mdl 100907	[no description available]	medium	2	0
triazoles	[no description available]	medium	17	0	1,2,3-triazole
fluorobenzenes	[no description available]	medium	1	0	monofluorobenzenes	NMR chemical shift reference compound
n-butyl beta-carboline-3-carboxylate	[no description available]	medium	3	0	beta-carbolines
l 838,417	[no description available]	medium	1	0
n-methyl-n-(tert-butyldimethylsilyl)trifluoroacetamide	[no description available]	medium	1	0	monocarboxylic acid amide; N-silyl compound; trifluoroacetamide	chromatographic reagent
trifluoroacetic acid	[no description available]	medium	1	0	fluoroalkanoic acid	human xenobiotic metabolite; NMR chemical shift reference compound; reagent
benzoxazoles	[no description available]	medium	2	0	1,3-benzoxazoles; mancude organic heterobicyclic parent
sb 334867-a	[no description available]	medium	1	0	naphthyridine derivative
clorazepate dipotassium	[no description available]	medium	12	3	potassium salt	anticonvulsant; anxiolytic drug; GABA modulator; prodrug
4-hydroxybutyric acid	[no description available]	medium	5	0	4-hydroxy monocarboxylic acid; hydroxybutyric acid	general anaesthetic; GHB receptor agonist; neurotoxin; sedative
4-hydroxybutyric acid	[no description available]	medium	5	1	4-hydroxy monocarboxylic acid; hydroxybutyric acid	general anaesthetic; GHB receptor agonist; neurotoxin; sedative
bemesetron	[no description available]	medium	2	0
sch 23390	[no description available]	medium	1	0	benzazepine
6-hydroxyflavone	[no description available]	medium	1	0	hydroxyflavonoid
cyamemazine	[no description available]	medium	2	0	phenothiazines
doxylamine	[no description available]	medium	2	0	pyridines; tertiary amine	anti-allergic agent; antiemetic; antitussive; cholinergic antagonist; H1-receptor antagonist; histamine antagonist; sedative
D-fructopyranose	[no description available]	medium	1	0	cyclic hemiketal; D-fructose; fructopyranose	sweetening agent
methylene chloride	[no description available]	medium	1	0	chloromethanes; volatile organic compound	carcinogenic agent; polar aprotic solvent; refrigerant
alpha-hydroxytriazolam	[no description available]	medium	1	0	triazolobenzodiazepine
4-hydroxytriazolam	[no description available]	medium	1	0	triazolobenzodiazepine
4-aminopyridine	[no description available]	medium	2	0	aminopyridine; aromatic amine	avicide; orphan drug; potassium channel blocker
2,5-dihydroxybenzoic acid	[no description available]	medium	1	0	dihydroxybenzoic acid	EC 1.13.11.33 (arachidonate 15-lipoxygenase) inhibitor; fungal metabolite; human metabolite; MALDI matrix material; mouse metabolite
taurine	[no description available]	medium	8	0	amino sulfonic acid; zwitterion	antioxidant; Escherichia coli metabolite; glycine receptor agonist; human metabolite; mouse metabolite; nutrient; radical scavenger; Saccharomyces cerevisiae metabolite
strychnine	[no description available]	medium	13	0	monoterpenoid indole alkaloid; organic heteroheptacyclic compound	avicide; cholinergic antagonist; glycine receptor antagonist; neurotransmitter agent; rodenticide
gvs 111	[no description available]	medium	1	0
adamantane	[no description available]	medium	1	0	adamantanes; polycyclic alkane
sm 346	[no description available]	medium	1	0
betadex	[no description available]	medium	1	0	cyclodextrin
tramadol	[no description available]	medium	3	1	2-[(dimethylamino)methyl]-1-(3-methoxyphenyl)cyclohexanol	adrenergic uptake inhibitor; antitussive; capsaicin receptor antagonist; delta-opioid receptor agonist; kappa-opioid receptor agonist; metabolite; mu-opioid receptor agonist; muscarinic antagonist; nicotinic antagonist; NMDA receptor antagonist; opioid analgesic; serotonergic antagonist; serotonin uptake inhibitor
2-ethylidene-1,5-dimethyl-3,3-diphenylpyrrolidine	[no description available]	medium	2	0
1,2-dipalmitoylphosphatidylcholine	[no description available]	medium	1	0
spiperone	[no description available]	medium	10	0	aromatic ketone; azaspiro compound; organofluorine compound; piperidines; tertiary amino compound	alpha-adrenergic antagonist; antipsychotic agent; dopaminergic antagonist; psychotropic drug; serotonergic antagonist
piracetam	[no description available]	medium	3	0	organonitrogen compound; organooxygen compound
etifoxine	[no description available]	medium	1	0	benzoxazine
n-methylaspartate	[no description available]	medium	6	0	amino dicarboxylic acid; D-alpha-amino acid; D-aspartic acid derivative; secondary amino compound	neurotransmitter agent
melatonin	[no description available]	medium	12	1	acetamides; tryptamines	anticonvulsant; central nervous system depressant; geroprotector; hormone; human metabolite; immunological adjuvant; mouse metabolite; radical scavenger
medazepam	[no description available]	medium	8	1	organic molecular entity
scutellarin	[no description available]	medium	1	0	glucosiduronic acid; glycosyloxyflavone; monosaccharide derivative; trihydroxyflavone	antineoplastic agent; proteasome inhibitor
scutellarein	[no description available]	medium	1	0	tetrahydroxyflavone	metabolite
flavanone	[no description available]	medium	1	0	flavanones
baicalein	[no description available]	medium	1	0	trihydroxyflavone	angiogenesis inhibitor; anti-inflammatory agent; antibacterial agent; anticoronaviral agent; antifungal agent; antineoplastic agent; antioxidant; apoptosis inducer; EC 1.13.11.31 (arachidonate 12-lipoxygenase) inhibitor; EC 1.13.11.33 (arachidonate 15-lipoxygenase) inhibitor; EC 3.4.21.26 (prolyl oligopeptidase) inhibitor; EC 3.4.22.69 (SARS coronavirus main proteinase) inhibitor; EC 4.1.1.17 (ornithine decarboxylase) inhibitor; ferroptosis inhibitor; geroprotector; hormone antagonist; plant metabolite; prostaglandin antagonist; radical scavenger
apigenin	[no description available]	medium	2	0	trihydroxyflavone	antineoplastic agent; metabolite
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
haloxazolam	[no description available]	medium	1	1	organic molecular entity
fluorescamine	[no description available]	medium	3	0
enkephalin, ala(2)-mephe(4)-gly(5)-	[no description available]	medium	2	0
kainic acid	[no description available]	medium	20	0	dicarboxylic acid; L-proline derivative; non-proteinogenic L-alpha-amino acid; pyrrolidinecarboxylic acid	antinematodal drug; excitatory amino acid agonist
histamine	[no description available]	medium	2	0	aralkylamino compound; imidazoles	human metabolite; mouse metabolite; neurotransmitter
ibotenic acid	[no description available]	medium	3	0	non-proteinogenic alpha-amino acid	neurotoxin
sincalide	[no description available]	medium	3	0	oligopeptide
nicotinoyl-gaba	[no description available]	medium	1	0
carbostyril	[no description available]	medium	7	0	monohydroxyquinoline; quinolone	bacterial xenobiotic metabolite
cysteine	[no description available]	medium	2	0	cysteinium	fundamental metabolite
1-methyl-4-phenyl-1,2,3,6-tetrahydropyridine	[no description available]	medium	3	0	methylpyridines; phenylpyridine; tetrahydropyridine	neurotoxin
valerenic acid	[no description available]	medium	1	0	carbobicyclic compound; monocarboxylic acid; sesquiterpenoid	GABA modulator; plant metabolite; sedative; volatile oil component
linarin	[no description available]	medium	1	0
sesquiterpenes	[no description available]	medium	3	0
glycosides	[no description available]	medium	2	0
salvinorin a	[no description available]	medium	1	0	organic heterotricyclic compound; organooxygen compound	metabolite; oneirogen
4-butyrolactone	[no description available]	medium	6	0	butan-4-olide	metabolite; neurotoxin
1-benzylpiperazine	[no description available]	medium	1	0	N-alkylpiperazine	environmental contaminant; psychotropic drug; serotonergic agonist; xenobiotic
norpseudoephedrine	[no description available]	medium	1	0	amphetamines; phenethylamine alkaloid	central nervous system stimulant; plant metabolite; psychotropic drug
quetiapine fumarate	[no description available]	medium	1	0	fumarate salt
psilocybin	[no description available]	medium	1	0	organic phosphate; tertiary amino compound; tryptamine alkaloid	fungal metabolite; hallucinogen; prodrug; serotonergic agonist
2,5-dimethoxy-4-bromoamphetamine	[no description available]	medium	1	0
1-(3-trifluoromethylphenyl)piperazine	[no description available]	medium	1	0	(trifluoromethyl)benzenes; N-arylpiperazine	environmental contaminant; psychotropic drug; serotonergic agonist; xenobiotic
miltirone	[no description available]	medium	2	0	abietane diterpenoid
phenanthrenes	[no description available]	medium	2	0
thymol	[no description available]	medium	2	0	monoterpenoid; phenols	volatile oil component
merocyanine dye	[no description available]	medium	2	0
phosphatidylcholines	[no description available]	medium	1	0	1,2-diacyl-sn-glycero-3-phosphocholine
pyrimidinones	[no description available]	medium	3	0
bromperidol	[no description available]	medium	2	1	aromatic ketone
desloratadine	[no description available]	medium	1	0	benzocycloheptapyridine	anti-allergic agent; cholinergic antagonist; drug metabolite; H1-receptor antagonist
loratadine	[no description available]	medium	1	0	benzocycloheptapyridine; ethyl ester; N-acylpiperidine; organochlorine compound; tertiary carboxamide	anti-allergic agent; cholinergic antagonist; geroprotector; H1-receptor antagonist
bilirubin	[no description available]	medium	1	0	biladienes; dicarboxylic acid	antioxidant; human metabolite; mouse metabolite
3-hydroxydesloratadine	[no description available]	medium	1	0
itraconazole	[no description available]	medium	1	0	aromatic ether; conazole antifungal drug; cyclic ketal; dichlorobenzene; dioxolane; N-arylpiperazine; triazole antifungal drug; triazoles	EC 3.6.3.44 (xenobiotic-transporting ATPase) inhibitor; Hedgehog signaling pathway inhibitor; P450 inhibitor
benzoylecgonine	[no description available]	medium	2	0	benzoate ester; tropane alkaloid	epitope; human xenobiotic metabolite; marine xenobiotic metabolite; plant metabolite
indigo carmine	[no description available]	medium	1	0
trihexyphenidyl	[no description available]	medium	2	0	amine
ocinaplon	[no description available]	medium	1	1
ammonium hydroxide	[no description available]	medium	2	0	azane; gas molecular entity; mononuclear parent hydride	EC 3.5.1.4 (amidase) inhibitor; metabolite; mouse metabolite; neurotoxin; NMR chemical shift reference compound; nucleophilic reagent; refrigerant
tartaric acid	[no description available]	medium	2	0	tartaric acid	Escherichia coli metabolite
alphaxalone	[no description available]	medium	14	0	corticosteroid hormone
cyanogen bromide	[no description available]	medium	3	0
glucose, (beta-d)-isomer	[no description available]	medium	4	0	D-glucopyranose	epitope; mouse metabolite
mannose	[no description available]	medium	2	0	D-aldohexose; D-mannose; mannopyranose	metabolite
salicylates	[no description available]	medium	1	0	monohydroxybenzoate	plant metabolite
octyl glucoside	[no description available]	medium	3	0	beta-D-glucoside	plant metabolite
propidium	[no description available]	medium	1	0	phenanthridines; quaternary ammonium ion	fluorochrome; intercalator
antalarmin	[no description available]	medium	1	0	pyrrolopyrimidine; tertiary amino compound	corticotropin-releasing factor receptor antagonist
pyrroles	[no description available]	medium	3	0	pyrrole; secondary amine
angiotensin ii	[no description available]	medium	1	0	amino acid zwitterion; angiotensin II	human metabolite
candesartan	[no description available]	medium	1	0	benzimidazolecarboxylic acid; biphenylyltetrazole	angiotensin receptor antagonist; antihypertensive agent; environmental contaminant; xenobiotic
sauvagine	[no description available]	medium	1	0
didesethylflurazepam	[no description available]	high	2	0	1,4-benzodiazepinone; monofluorobenzenes; organochlorine compound; primary amino compound	anticonvulsant; anxiolytic drug; drug metabolite; GABAA receptor agonist; sedative
1-hydroxymethylmidazolam	[no description available]	medium	1	0	aromatic primary alcohol; imidazobenzodiazepine; monofluorobenzenes; organochlorine compound	drug metabolite; human blood serum metabolite; human urinary metabolite
fg 7142	[no description available]	medium	6	0	beta-carbolines
cetyltrimethylammonium ion	[no description available]	medium	2	0	quaternary ammonium ion
desoxycorticosterone	[no description available]	medium	14	0	20-oxo steroid; 21-hydroxy steroid; 3-oxo-Delta(4) steroid; mineralocorticoid; primary alpha-hydroxy ketone	human metabolite; mouse metabolite
pregnenolone	[no description available]	medium	8	0	20-oxo steroid; 3beta-hydroxy-Delta(5)-steroid; C21-steroid	human metabolite; mouse metabolite
tetrahydrodeoxycorticosterone	[no description available]	medium	11	0	21-hydroxy steroid
sr 95531	[no description available]	medium	13	0	methoxybenzenes
indorenate	[no description available]	medium	1	0
5-methoxytryptamine	[no description available]	medium	1	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
norfluoxetine	[no description available]	medium	1	0	(trifluoromethyl)benzenes
alanine	[no description available]	medium	4	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
metalaxyl	[no description available]	medium	1	0	alanine derivative; aromatic amide; carboxamide; ether; methyl ester
propiomazine	[no description available]	medium	2	0	aromatic ketone; phenothiazines; tertiary amino compound	dopaminergic antagonist; histamine antagonist; muscarinic antagonist; phenothiazine antipsychotic drug; sedative; serotonergic antagonist
n,n-dimethyl-2-(2-amino-4-methylphenylthio)benzylamine	[no description available]	medium	1	0
ethylmaleimide	[no description available]	medium	4	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
glycerophosphoinositol 4,5-bisphosphate	[no description available]	medium	1	0
sodium azide	[no description available]	medium	1	0	inorganic sodium salt	antibacterial agent; explosive; mitochondrial respiratory-chain inhibitor; mutagen
5-nitro-2-(3-phenylpropylamino)benzoic acid	[no description available]	medium	1	0	nitrobenzoic acid
cyclosporine	[no description available]	medium	1	0
remimazolam	[no description available]	medium	1	0
methanol	[no description available]	medium	1	0	alkyl alcohol; one-carbon compound; primary alcohol; volatile organic compound	amphiprotic solvent; Escherichia coli metabolite; fuel; human metabolite; mouse metabolite; Mycoplasma genitalium metabolite
ethylene glycol	[no description available]	medium	1	0	ethanediol; glycol	metabolite; mouse metabolite; solvent; toxin
obovatol	[no description available]	medium	1	0
1,4-butanediol	[no description available]	medium	2	0	butanediol; glycol	neurotoxin; prodrug; protic solvent
besonprodil	[no description available]	medium	1	0
norbinaltorphimine	[no description available]	medium	1	0	isoquinolines
5-hydroxytryptophan	[no description available]	medium	2	0	hydroxytryptophan	human metabolite; neurotransmitter
cgp 35348	[no description available]	medium	1	0
ncs 382	[no description available]	medium	1	0
cycloheximide	[no description available]	medium	1	0	antibiotic fungicide; cyclic ketone; dicarboximide; piperidine antibiotic; piperidones; secondary alcohol	anticoronaviral agent; bacterial metabolite; ferroptosis inhibitor; neuroprotective agent; protein synthesis inhibitor
premazepam	[no description available]	medium	2	0
avermectin b(1)a	[no description available]	medium	6	0	avermectin
picrotoxinin	[no description available]	medium	8	0
dextrothyroxine	[no description available]	medium	7	0
avermectin	[no description available]	medium	1	0
2-(4-chlorophenyl)-2,5-dihydropyrazolo(4,3-c)quinoline-3(3h)-one	[no description available]	medium	8	0
lithium	[no description available]	medium	2	0	alkali metal atom
pyrilamine	[no description available]	medium	2	0	aromatic ether; ethylenediamine derivative	H1-receptor antagonist
2-oxoquazepam	[no description available]	medium	6	0
denzimol	[no description available]	medium	2	0
etazolate	[no description available]	medium	12	0	ethyl ester; hydrazone; pyrazolopyridine	alpha-secretase activator; antidepressant; antipsychotic agent; anxiolytic drug; GABA agent; neuroprotective agent; phosphodiesterase IV inhibitor
dihydromorphine	[no description available]	medium	3	0	morphinane alkaloid
dihydroalprenolol	[no description available]	medium	9	0
pipequaline	[no description available]	medium	4	0
aminooxyacetic acid	[no description available]	medium	2	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
propyl beta-carboline-3-carboxylate	[no description available]	medium	16	0	beta-carbolines
oxazoles	[no description available]	medium	12	0	1,3-oxazoles; mancude organic heteromonocyclic parent; monocyclic heteroarene
ethylene chlorohydrin	[no description available]	medium	1	1	chloroethanol	xenobiotic metabolite
triclofos	[no description available]	medium	1	1	monoalkyl phosphate
benzoctamine	[no description available]	medium	3	3	anthracenes
nitrous oxide	[no description available]	medium	17	3	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
bicuculline methiodide	[no description available]	medium	2	0
3-acetylpyridine	[no description available]	medium	1	0	aromatic ketone
digitonin	[no description available]	medium	1	0
pentazocine	[no description available]	medium	15	3	benzazocine
4-isopropylbicyclophosphate	[no description available]	medium	1	0
tofisopam	[no description available]	medium	5	0	organic molecular entity
cartazolate	[no description available]	medium	7	0
nantradol	[no description available]	medium	1	0
oxidopamine	[no description available]	medium	9	0	benzenetriol; catecholamine; primary amino compound	drug metabolite; human metabolite; neurotoxin
progabide acid	[no description available]	medium	1	0
ici 136,753	[no description available]	medium	3	0	pyrazolopyridine
apraclonidine	[no description available]	medium	2	0	dichlorobenzene; guanidines; imidazolines	alpha-adrenergic agonist; antiglaucoma drug; beta-adrenergic agonist; diagnostic agent; ophthalmology drug
succinylcholine	[no description available]	medium	7	2	quaternary ammonium ion; succinate ester	drug allergen; muscle relaxant; neuromuscular agent
tubocurarine	[no description available]	medium	1	0	bisbenzylisoquinoline alkaloid	drug allergen; muscle relaxant; nicotinic antagonist
1-methyl-beta-carboline-3-carboxylic acid	[no description available]	medium	5	0
aspartic acid	[no description available]	medium	3	0	aspartate family amino acid; aspartic acid; L-alpha-amino acid; proteinogenic amino acid	Escherichia coli metabolite; mouse metabolite; neurotransmitter
piperidine-4-sulfonic acid	[no description available]	medium	2	0
isoguvacine	[no description available]	medium	5	0	tetrahydropyridine
dsp 4	[no description available]	medium	5	0
choline	[no description available]	medium	4	0	cholines	allergen; Daphnia magna metabolite; Escherichia coli metabolite; human metabolite; mouse metabolite; neurotransmitter; nutrient; plant metabolite; Saccharomyces cerevisiae metabolite
n-methylscopolamine	[no description available]	medium	2	0
nitroblue tetrazolium	[no description available]	medium	1	0	organic cation
pk 9084	[no description available]	medium	3	0
flutoprazepam	[no description available]	medium	1	0	organic molecular entity
harmaline	[no description available]	medium	3	0	harmala alkaloid	oneirogen
harmine	[no description available]	medium	6	0	harmala alkaloid	anti-HIV agent; EC 1.4.3.4 (monoamine oxidase) inhibitor; metabolite
harman	[no description available]	medium	3	0	harmala alkaloid; indole alkaloid fundamental parent; indole alkaloid	anti-HIV agent; EC 1.4.3.4 (monoamine oxidase) inhibitor; plant metabolite
sodium glutamate	[no description available]	medium	1	0	monosodium glutamate	flavouring agent
tetranitromethane	[no description available]	medium	2	0	organonitrogen compound
tyrosine	[no description available]	medium	1	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
n-acetylimidazole	[no description available]	medium	2	0	N-acylimidazole
guanosine triphosphate	[no description available]	medium	2	0	guanosine 5'-phosphate; purine ribonucleoside 5'-triphosphate	Escherichia coli metabolite; mouse metabolite; uncoupling protein inhibitor
pituitrin	[no description available]	medium	1	0
deoxycholic acid	[no description available]	medium	8	0	bile acid; C24-steroid; dihydroxy-5beta-cholanic acid	human blood serum metabolite
urethane	[no description available]	medium	2	0	carbamate ester	fungal metabolite; mutagen
halopemide	[no description available]	medium	1	0
5,7-dihydroxytryptamine	[no description available]	medium	2	0
metergoline	[no description available]	medium	1	0	carbamate ester; ergoline alkaloid	dopamine agonist; geroprotector; serotonergic antagonist
rp 31264	[no description available]	medium	4	0
sulfur	[no description available]	medium	4	0	chalcogen; nonmetal atom	macronutrient
tryptoline	[no description available]	medium	2	0	beta-carbolines
aminoimidazole carboxamide	[no description available]	medium	2	0	aminoimidazole; monocarboxylic acid amide	mouse metabolite
9-(2-hydroxy-3-nonyl)adenine	[no description available]	medium	1	0
diethyl pyrocarbonate	[no description available]	medium	4	0	acyclic carboxylic anhydride
5,6-dihydroxytryptamine	[no description available]	medium	1	0
lithium chloride	[no description available]	medium	1	0	inorganic chloride; lithium salt	antimanic drug; geroprotector
diazobenzenesulfonic acid	[no description available]	medium	1	0
brompheniramine	[no description available]	medium	1	0	organobromine compound; pyridines	anti-allergic agent; H1-receptor antagonist
zimeldine	[no description available]	medium	2	0	styrenes
3-((3-cholamidopropyl)dimethylammonium)-1-propanesulfonate	[no description available]	medium	10	0	1,1-diunsubstituted alkanesulfonate
metaperiodate	[no description available]	medium	1	0	iodine oxoacid
metaperiodate	[no description available]	medium	1	0	iodine oxoanion; monovalent inorganic anion
be 2254	[no description available]	medium	1	0	tetralins
imidazoleacetic acid	[no description available]	medium	2	0	imidazoles; monocarboxylic acid	metabolite; mouse metabolite
galactosamine	[no description available]	medium	3	0	D-galactosamine; primary amino compound	toxin
ethanolamine o-sulfate	[no description available]	medium	2	0
3-amino-1-methyl-5h-pyrido(4,3-b)indole	[no description available]	medium	1	0	pyridoindole
3-amino-1,4-dimethyl-5h-pyrido(4,3-b)indole	[no description available]	medium	1	0	pyridoindole
pitrazepin	[no description available]	medium	2	0	N-arylpiperazine
alinidine	[no description available]	medium	1	0
guanabenz	[no description available]	medium	1	0	dichlorobenzene
phenoperidine	[no description available]	medium	3	0	piperidines
alpha-aminopyridine	[no description available]	medium	1	0
diquat	[no description available]	medium	1	0	organic cation	defoliant; herbicide
ipsapirone	[no description available]	medium	3	0	N-arylpiperazine
fluspirilene	[no description available]	medium	2	0	diarylmethane
fluphenazine	[no description available]	medium	1	0	N-alkylpiperazine; organofluorine compound; phenothiazines	anticoronaviral agent; dopaminergic antagonist; phenothiazine antipsychotic drug
flupenthixol	[no description available]	medium	1	0	thioxanthenes
congo red	[no description available]	medium	1	0	bis(azo) compound
deoxyglucose	[no description available]	medium	3	0
norharman	[no description available]	medium	1	0	beta-carbolines; mancude organic heterotricyclic parent	fungal metabolite; marine metabolite
pyruvic acid	[no description available]	medium	1	1	2-oxo monocarboxylic acid	cofactor; fundamental metabolite
hydrochloric acid	[no description available]	medium	1	0	chlorine molecular entity; gas molecular entity; hydrogen halide; mononuclear parent hydride	mouse metabolite
enkephalin, methionine	[no description available]	medium	2	0
enkephalin, leucine	[no description available]	medium	4	0	pentapeptide; peptide zwitterion	analgesic; delta-opioid receptor agonist; human metabolite; mu-opioid receptor agonist; neurotransmitter; rat metabolite
potassium chloride	[no description available]	medium	2	0	inorganic chloride; inorganic potassium salt; potassium salt	fertilizer
s-adenosylhomocysteine	[no description available]	medium	1	0	adenosines; amino acid zwitterion; homocysteine derivative; homocysteines; organic sulfide	cofactor; EC 2.1.1.72 [site-specific DNA-methyltransferase (adenine-specific)] inhibitor; EC 2.1.1.79 (cyclopropane-fatty-acyl-phospholipid synthase) inhibitor; epitope; fundamental metabolite
5'-methylthioadenosine	[no description available]	medium	1	0	thioadenosine	algal metabolite; Escherichia coli metabolite; human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite
chlorine	[no description available]	medium	15	0	diatomic chlorine; gas molecular entity	bleaching agent
methylmercuric chloride	[no description available]	medium	1	0	chlorine molecular entity; mercury coordination entity; one-carbon compound
triethyllead	[no description available]	medium	1	0
delta sleep-inducing peptide	[no description available]	medium	2	0
quinolinic acid	[no description available]	medium	2	0	pyridinedicarboxylic acid	Escherichia coli metabolite; human metabolite; mouse metabolite; NMDA receptor agonist
xenovulene a	[no description available]	medium	1	0	cyclic ether; enone; organic heterotetracyclic compound; sesquiterpenoid	GABA antagonist; metabolite
ro 19-4603	[no description available]	medium	1	0	organonitrogen heterocyclic compound; organosulfur heterocyclic compound; tert-butyl ester
alpha-amino-3-hydroxy-5-methyl-4-isoxazolepropionic acid	[no description available]	medium	2	0	non-proteinogenic alpha-amino acid
quisqualic acid	[no description available]	medium	2	0	non-proteinogenic alpha-amino acid
phaclofen	[no description available]	medium	1	0	organophosphate oxoanion; zwitterion
adrenocorticotropic hormone	[no description available]	medium	1	0
adrenocorticotropic hormone	[no description available]	medium	3	0
hemicholinium 3	[no description available]	medium	1	0
dextrothyroxine	[no description available]	medium	1	0	D-tyrosine derivative; thyroxine
fenclonine	[no description available]	medium	2	0	phenylalanine derivative
20-alpha-dihydroprogesterone	[no description available]	medium	2	0	20-hydroxypregn-4-en-3-one	human metabolite; mouse metabolite
3-hydroxypregn-4-en-20-one	[no description available]	medium	1	0
pregnanediol	[no description available]	medium	1	0
3-amino-1-(3-trifluoromethylphenyl)-6-methyl-1h-pyridazin-4-one	[no description available]	medium	1	0
zk 93426	[no description available]	medium	1	0	beta-carbolines
1-amino-5-bromouracil	[no description available]	medium	1	0
nocodazole	[no description available]	medium	1	0	aromatic ketone; benzimidazoles; carbamate ester; thiophenes	antimitotic; antineoplastic agent; microtubule-destabilising agent; tubulin modulator
beta-lumicolchicine	[no description available]	medium	2	0
ly 278584	[no description available]	medium	1	0	aromatic amide; indazoles
tenocyclidine	[no description available]	medium	2	0	piperidines; tertiary amino compound; thiophenes	central nervous system stimulant; hallucinogen; neuroprotective agent; NMDA receptor antagonist
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
8-bromo cyclic adenosine monophosphate	[no description available]	medium	1	0	3',5'-cyclic purine nucleotide; adenyl ribonucleotide; organobromine compound	antidepressant; protein kinase agonist
phosphorus radioisotopes	[no description available]	medium	1	0
acth (4-10)	[no description available]	medium	2	0
eedq	[no description available]	medium	1	0
zacopride	[no description available]	medium	1	0	benzamides
acridines	[no description available]	medium	1	0	acridines; mancude organic heterotricyclic parent; polycyclic heteroarene	genotoxin
ginsenosides	[no description available]	medium	2	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
adenosine diphosphate	[no description available]	medium	1	0	adenosine 5'-phosphate; purine ribonucleoside 5'-diphosphate	fundamental metabolite; human metabolite
pregnenolone sulfate	[no description available]	medium	3	0	steroid sulfate	EC 2.7.1.33 (pantothenate kinase) inhibitor; human metabolite
quinoxalines	[no description available]	medium	9	0	mancude organic heterobicyclic parent; naphthyridine; ortho-fused heteroarene
trimecaine	[no description available]	medium	1	0	amino acid amide
metipranolol	[no description available]	medium	2	1	acetate ester; aromatic ether; propanolamine; secondary amino compound	anti-arrhythmia drug; antiglaucoma drug; antihypertensive agent; beta-adrenergic antagonist
celiprolol	[no description available]	medium	1	0	aromatic ketone
mesoporphyrin ix	[no description available]	medium	1	0
loreclezole	[no description available]	medium	4	0
3,4-dihydroxyphenylacetic acid	[no description available]	medium	2	0	catechols; dihydroxyphenylacetic acid	human metabolite
ym 09151-2	[no description available]	medium	1	0	N-(1-benzyl-2-methylpyrrolidin-3-yl)-5-chloro-2-methoxy-4-(methylamino)benzamide
thiazoles	[no description available]	medium	3	0	1,3-thiazoles; mancude organic heteromonocyclic parent; monocyclic heteroarene
2-chloro-n(6)cyclopentyladenosine	[no description available]	medium	1	0
1,3-dipropyl-8-cyclopentylxanthine	[no description available]	medium	2	0	oxopurine	adenosine A1 receptor antagonist; EC 3.1.4.* (phosphoric diester hydrolase) inhibitor
n-(ethoxycarbonylmethyl)-6-methoxyquinolinium	[no description available]	medium	1	0
beta-endorphin	[no description available]	medium	2	0
thioacetamide	[no description available]	medium	1	0	thiocarboxamide	hepatotoxic agent
iodoacetic acid	[no description available]	medium	1	0	haloacetic acid; organoiodine compound	alkylating agent
dithionitrobenzoic acid	[no description available]	medium	1	0	nitrobenzoic acid; organic disulfide	indicator
dithiothreitol	[no description available]	medium	3	0	1,4-dimercaptobutane-2,3-diol; butanediols; dithiol; glycol; thiol	chelator; human metabolite; reducing agent
lysine	[no description available]	medium	4	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
divaplon	[no description available]	medium	1	0
ceruletide	[no description available]	medium	3	0	oligopeptide	diagnostic agent; gastrointestinal drug
mocetinostat	[no description available]	medium	1	0	aminopyrimidine; benzamides; pyridines; secondary amino compound; secondary carboxamide; substituted aniline	antineoplastic agent; apoptosis inducer; autophagy inducer; cardioprotective agent; EC 3.5.1.98 (histone deacetylase) inhibitor; hepatotoxic agent
homovanillic acid	[no description available]	medium	2	0	guaiacols; monocarboxylic acid	human metabolite; mouse metabolite
hypoxanthine	[no description available]	medium	1	0	nucleobase analogue; oxopurine; purine nucleobase	fundamental metabolite
9,10-dihydroergosine	[no description available]	medium	1	0
medroxyprogesterone	[no description available]	medium	1	0	17alpha-hydroxy steroid; 20-oxo steroid; 3-oxo-Delta(4) steroid; tertiary alpha-hydroxy ketone	contraceptive drug; progestin; synthetic oral contraceptive
oxadiazoles	[no description available]	medium	4	0
web 2086	[no description available]	medium	1	0	organonitrogen heterocyclic compound; organosulfur heterocyclic compound
bn 50739	[no description available]	medium	1	0
edetic acid	[no description available]	medium	2	0	ethylenediamine derivative; polyamino carboxylic acid; tetracarboxylic acid	anticoagulant; antidote; chelator; copper chelator; geroprotector
rutin	[no description available]	medium	1	0	disaccharide derivative; quercetin O-glucoside; rutinoside; tetrahydroxyflavone	antioxidant; metabolite
malondialdehyde	[no description available]	medium	1	0	dialdehyde	biomarker
6-hydroxy-2,5,7,8-tetramethylchroman-2-carboxylic acid	[no description available]	medium	1	0	chromanol; monocarboxylic acid; phenols	antioxidant; ferroptosis inhibitor; neuroprotective agent; radical scavenger; Wnt signalling inhibitor
nad	[no description available]	medium	2	0	organophosphate oxoanion	cofactor; human metabolite; hydrogen acceptor; Saccharomyces cerevisiae metabolite
histidine	[no description available]	medium	4	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
thiophenes	[no description available]	medium	1	0	mancude organic heteromonocyclic parent; monocyclic heteroarene; thiophenes; volatile organic compound	non-polar solvent
6-bromoflavone	[no description available]	medium	1	0
quinazolines	[no description available]	medium	3	0	azaarene; mancude organic heterobicyclic parent; ortho-fused heteroarene; quinazolines
puerarin	[no description available]	medium	1	0	C-glycosyl compound; isoflavonoid
daidzein	[no description available]	medium	1	0	7-hydroxyisoflavones	antineoplastic agent; EC 2.7.7.7 (DNA-directed DNA polymerase) inhibitor; EC 3.2.1.20 (alpha-glucosidase) inhibitor; phytoestrogen; plant metabolite
amprolium	[no description available]	medium	1	0	pyridinium ion	coccidiostat
staurosporine	[no description available]	medium	1	0	ammonium ion derivative
1,1-diphenyl-2-picrylhydrazyl	[no description available]	medium	1	1
l 365260	[no description available]	medium	1	0	benzodiazepine
cholecystokinin	[no description available]	medium	2	0
4-methyl-3-methylsulfonyl-5-phenyl-4h-1,2,4-triazole	[no description available]	medium	1	0
racemetirosine	[no description available]	medium	1	0
pk 14105	[no description available]	medium	2	0
n,o-bis(trimethylsilyl)trifluoroacetamide	[no description available]	medium	1	0
chloroform	[no description available]	medium	1	0	chloromethanes; one-carbon compound	carcinogenic agent; central nervous system drug; inhalation anaesthetic; non-polar solvent; refrigerant
1-propanol	[no description available]	medium	1	0	propan-1-ols; short-chain primary fatty alcohol	metabolite; protic solvent
gold	[no description available]	medium	1	0	copper group element atom; elemental gold
h 89	[no description available]	medium	2	0	N-[2-(4-bromocinnamylamino)ethyl]isoquinoline-5-sulfonamide
11-ketoprogesterone	[no description available]	medium	1	0	corticosteroid hormone
toluene	[no description available]	medium	2	0	methylbenzene; toluenes; volatile organic compound	cholinergic antagonist; fuel additive; neurotoxin; non-polar solvent
isopentyl alcohol	[no description available]	medium	1	0	alkyl alcohol; primary alcohol; volatile organic compound	antifungal agent; Saccharomyces cerevisiae metabolite; xenobiotic metabolite
n-pentanol	[no description available]	medium	1	0	pentanol; short-chain primary fatty alcohol	human metabolite; plant metabolite
ganaxolone	[no description available]	medium	1	0	corticosteroid hormone
6-cyano-7-nitroquinoxaline-2,3-dione	[no description available]	medium	3	0	quinoxaline derivative
oleoyl-coenzyme a	[no description available]	medium	1	0	octadecenoyl-CoA	Escherichia coli metabolite; mouse metabolite
l 701324	[no description available]	medium	1	0	quinolines
minaxolone	[no description available]	medium	1	0
phenolsulfonphthalein	[no description available]	medium	1	0	2,1-benzoxathiole; arenesulfonate ester; phenols; sultone	acid-base indicator; diagnostic agent; two-colour indicator
thiazolyl blue	[no description available]	medium	1	0	organic bromide salt	colorimetric reagent; dye
2-amino-5-phosphonovalerate	[no description available]	medium	3	0	non-proteinogenic alpha-amino acid	NMDA receptor antagonist
ro 19-8022	[no description available]	medium	1	0
nnc 711	[no description available]	medium	1	0
3-n-methylspiperone	[no description available]	medium	1	0	aromatic ketone
gramicidin a	[no description available]	medium	1	0
1-(4-ethynylphenyl)-4-propyl-2,6,7-trioxabicyclo(2.2.2)octane	[no description available]	medium	1	0
4-hydroxyestradiol	[no description available]	medium	1	0	4-hydroxy steroid	metabolite
4-hydroxyestrone	[no description available]	medium	1	0	17-oxo steroid; 3-hydroxy steroid; 4-hydroxy steroid; catechols; phenolic steroid	carcinogenic agent; estrogen; human urinary metabolite
2-hydroxyestradiol	[no description available]	medium	1	0	17beta-hydroxy steroid; 2-hydroxy steroid	carcinogenic agent; human metabolite; metabolite; mouse metabolite; prodrug
2-hydroxyestrone	[no description available]	medium	1	0	2-hydroxy steroid; catechols	human metabolite
ethylcholine aziridinium	[no description available]	medium	1	0
oxazolam	[no description available]	medium	1	0	hemiaminal ether; organic molecular entity
ether	[no description available]	medium	2	0	ether; volatile organic compound	inhalation anaesthetic; non-polar solvent; refrigerant
asparagine	[no description available]	medium	2	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
sodium dodecyl sulfate	[no description available]	medium	2	0	organic sodium salt	detergent; protein denaturant
6-methoxy-n-ethylquinolinium	[no description available]	medium	1	0
gbr 12935	[no description available]	medium	1	0	ether; N-alkylpiperazine; tertiary amino compound	dopamine uptake inhibitor
glycofurol	[no description available]	medium	1	0
ro 16-0154	[no description available]	medium	1	0
4-aminocrotonic acid	[no description available]	medium	1	0
sk&f 82958	[no description available]	medium	1	0	benzazepine
cabergoline	[no description available]	medium	1	0	N-acylurea	antineoplastic agent; antiparkinson drug; dopamine agonist
ergoline	[no description available]	medium	1	0	diamine; ergoline alkaloid; indole alkaloid fundamental parent; indole alkaloid; organic heterotetracyclic compound
nerisopam	[no description available]	medium	1	0
girisopam	[no description available]	medium	1	0
tetrodotoxin	[no description available]	medium	3	0	azatetracycloalkane; oxatetracycloalkane; quinazoline alkaloid	animal metabolite; bacterial metabolite; marine metabolite; neurotoxin; voltage-gated sodium channel blocker
pyridostigmine bromide	[no description available]	medium	1	0	pyridinium salt
caramiphen	[no description available]	medium	1	0	benzenes
soman	[no description available]	medium	2	0	phosphonic ester
cyclopentane	[no description available]	medium	1	0	cycloalkane; cyclopentanes; volatile organic compound	non-polar solvent
veratridine	[no description available]	medium	3	0
acetonitrile	[no description available]	medium	2	0	aliphatic nitrile; volatile organic compound	EC 3.5.1.4 (amidase) inhibitor; NMR chemical shift reference compound; polar aprotic solvent
dimethylformamide	[no description available]	medium	1	0	formamides; volatile organic compound	geroprotector; hepatotoxic agent; polar aprotic solvent
alpha-naphthoflavone	[no description available]	medium	2	0	extended flavonoid; naphtho-gamma-pyrone; organic heterotricyclic compound	aryl hydrocarbon receptor agonist; aryl hydrocarbon receptor antagonist; EC 1.14.14.14 (aromatase) inhibitor
alphaxalone	[no description available]	medium	4	0	11-oxo steroid
lignans	[no description available]	medium	2	0
honokiol	[no description available]	medium	2	0	biphenyls
magnolol	[no description available]	medium	2	0	biphenyls
1,1-difluoroethylene	[no description available]	medium	1	0	olefinic compound; organofluorine compound
acrylic acid	[no description available]	medium	1	0	alpha,beta-unsaturated monocarboxylic acid	metabolite
sodium salicylate	[no description available]	medium	1	0	organic molecular entity
phorbol 12,13-dibutyrate	[no description available]	medium	1	0	butyrate ester; phorbol ester; tertiary alpha-hydroxy ketone
trimeprazine	[no description available]	medium	1	0	phenothiazines
phenyl acetate	[no description available]	medium	3	0	benzenes; phenyl acetates
sodium hydroxide	[no description available]	medium	1	0	alkali metal hydroxide
ethyl acetate	[no description available]	medium	1	0	acetate ester; ethyl ester; volatile organic compound	EC 3.4.19.3 (pyroglutamyl-peptidase I) inhibitor; metabolite; polar aprotic solvent; Saccharomyces cerevisiae metabolite
sodium sulfide	[no description available]	medium	1	0
triazulenone	[no description available]	medium	4	0	imidazobenzodiazepine
11-nor-delta(9)-tetrahydrocannabinol-9-carboxylic acid	[no description available]	medium	2	0	1-benzopyran
muramidase	[no description available]	medium	1	0
zipeprol	[no description available]	medium	1	0	benzyl ether
cgp 52432	[no description available]	medium	1	0	dichlorobenzene
acetaldehyde	[no description available]	medium	2	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
1,1-dimethylheptyl-11-hydroxytetrahydrocannabinol	[no description available]	medium	1	1
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
ryanodine	[no description available]	medium	1	0
spermine	[no description available]	medium	1	0	polyazaalkane; tetramine	antioxidant; fundamental metabolite; immunosuppressive agent
myristic acid	[no description available]	medium	1	0	long-chain fatty acid; straight-chain saturated fatty acid	algal metabolite; Daphnia magna metabolite; EC 3.1.1.1 (carboxylesterase) inhibitor; human metabolite
isoleucine	[no description available]	medium	1	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
threonine	[no description available]	medium	1	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
myristicin	[no description available]	medium	1	0	organic molecular entity	metabolite
pyrogallol	[no description available]	medium	1	0	benzenetriol; phenolic donor	plant metabolite
ginsenoside rc	[no description available]	medium	1	0	12beta-hydroxy steroid; beta-D-glucoside; disaccharide derivative; ginsenoside; tetracyclic triterpenoid	hypoglycemic agent; plant metabolite
ginsenoside rg1	[no description available]	medium	1	0	12beta-hydroxy steroid; 3beta-hydroxy-4,4-dimethylsteroid; beta-D-glucoside; ginsenoside; tetracyclic triterpenoid	neuroprotective agent; pro-angiogenic agent
3,4-methylenedioxyamphetamine	[no description available]	medium	1	0	benzodioxoles
hydrogen carbonate	[no description available]	medium	1	0	carbon oxoanion	cofactor; Escherichia coli metabolite; human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite
fg 9041	[no description available]	medium	1	0	quinoxaline derivative
mercuric chloride	[no description available]	medium	1	0	mercury coordination entity	sensitiser
cyanides	[no description available]	medium	1	0	pseudohalide anion	EC 1.9.3.1 (cytochrome c oxidase) inhibitor
acrylamide	[no description available]	medium	1	0	acrylamides; N-acylammonia; primary carboxamide	alkylating agent; carcinogenic agent; Maillard reaction product; mutagen; neurotoxin
pronarcon	[no description available]	medium	1	1	barbiturates
dichloralantipyrine	[no description available]	medium	1	1
propantheline	[no description available]	medium	2	1	xanthenes
cycloleucine	[no description available]	medium	1	0	non-proteinogenic alpha-amino acid	EC 2.5.1.6 (methionine adenosyltransferase) inhibitor
vincamine	[no description available]	medium	1	0	alkaloid ester; hemiaminal; methyl ester; organic heteropentacyclic compound; vinca alkaloid	antihypertensive agent; metabolite; vasodilator agent
bromide	[no description available]	medium	3	0	halide anion; monoatomic bromine
almitrine	[no description available]	medium	1	0	piperazines; triamino-1,3,5-triazine	central nervous system stimulant
propanidid	[no description available]	medium	2	0	methoxybenzenes
secobarbital	[no description available]	medium	4	1	barbiturates	anaesthesia adjuvant; GABA modulator; sedative
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
tryptamine	[no description available]	medium	4	0	aminoalkylindole; aralkylamino compound; indole alkaloid; tryptamines	human metabolite; mouse metabolite; plant metabolite
ditiocarb	[no description available]	medium	1	0	dithiocarbamic acids	chelator; copper chelator
oxytocin	[no description available]	medium	1	0	heterodetic cyclic peptide; peptide hormone	oxytocic; vasodilator agent
galactose	[no description available]	medium	1	0	D-galactose; galactopyranose	Escherichia coli metabolite; mouse metabolite
monensin	[no description available]	medium	1	0	cyclic hemiketal; monocarboxylic acid; polyether antibiotic; spiroketal	antifungal agent; coccidiostat; ionophore
methylazoxymethanol acetate	[no description available]	medium	3	0	azoxy compound
methylazoxymethanol	[no description available]	medium	3	0	azoxy compound
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
pyrrolidonecarboxylic acid	[no description available]	medium	2	0	5-oxoproline; L-proline derivative; non-proteinogenic L-alpha-amino acid	algal metabolite
trifluoperazine	[no description available]	medium	2	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
ethyl loflazepate	[no description available]	medium	2	0	organic molecular entity
panadiplon	[no description available]	medium	3	0
ahn 086	[no description available]	medium	1	0
psd 502	[no description available]	medium	1	0
bradykinin	[no description available]	medium	1	0	oligopeptide	human blood serum metabolite; vasodilator agent
carbidopa	[no description available]	medium	2	0
salsolinol	[no description available]	medium	2	0	1-methyl-1,2,3,4-tetrahydroisoquinoline-6,7-diol	human urinary metabolite
paraquat	[no description available]	medium	1	0	organic cation	geroprotector; herbicide
vitamin k semiquinone radical	[no description available]	medium	1	0
nadp	[no description available]	medium	1	0
dihydropyridines	[no description available]	medium	1	0
cyproterone	[no description available]	medium	1	0	17alpha-hydroxy steroid; 20-oxo steroid; 3-oxo-Delta(4) steroid; chlorinated steroid; tertiary alpha-hydroxy ketone	androgen antagonist
concanavalin a	[no description available]	medium	2	0
flunarizine	[no description available]	medium	1	0	diarylmethane
nitrilotriacetic acid	[no description available]	medium	3	0	NTA; tricarboxylic acid	carcinogenic agent; nephrotoxic agent
ferric nitrilotriacetate	[no description available]	medium	3	0	iron chelate	carcinogenic agent; mutagen
2-chloroadenosine	[no description available]	medium	1	0	purine nucleoside
1-methyl-3-isobutylxanthine	[no description available]	medium	1	0	3-isobutyl-1-methylxanthine
proglumide	[no description available]	medium	2	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
propylene glycol	[no description available]	medium	2	0	glycol; propane-1,2-diols	allergen; human xenobiotic metabolite; mouse metabolite; protic solvent
benzyl alcohol	[no description available]	medium	2	0	benzyl alcohols	antioxidant; fragrance; metabolite; solvent
neuropeptide y	[no description available]	medium	1	0
tyrosyl-prolyl-leucyl-glycinamide	[no description available]	medium	2	0
cgs 20625	[no description available]	medium	1	0	pyrazoles; ring assembly
oxotremorine	[no description available]	medium	1	0	N-alkylpyrrolidine
morphinans	[no description available]	medium	2	2	isoquinoline alkaloid fundamental parent; morphinane alkaloid
beta-alanine	[no description available]	medium	1	0	amino acid zwitterion; beta-amino acid	agonist; fundamental metabolite; human metabolite; inhibitor; neurotransmitter
atrial natriuretic factor	[no description available]	medium	1	0	polypeptide
thymopentin	[no description available]	medium	1	0	oligopeptide
gr 65630	[no description available]	medium	1	0
adenosine-5'-(n-ethylcarboxamide)	[no description available]	medium	1	0	adenosines; monocarboxylic acid amide	adenosine A1 receptor agonist; adenosine A2A receptor agonist; antineoplastic agent; EC 3.1.4.* (phosphoric diester hydrolase) inhibitor; vasodilator agent
homocysteine	[no description available]	medium	1	0	amino acid zwitterion; homocysteine; serine family amino acid	fundamental metabolite; mouse metabolite
triiodothyronine	[no description available]	medium	1	0	tetrahydrothiophenes; thiolactone	human metabolite
hydroxyindoleacetic acid	[no description available]	medium	1	0	indole-3-acetic acids	drug metabolite; human metabolite; mouse metabolite
substance p	[no description available]	medium	1	0	peptide	neurokinin-1 receptor agonist; neurotransmitter; vasodilator agent
fluorides	[no description available]	medium	1	0	halide anion; monoatomic fluorine
iodine	[no description available]	medium	2	0	halide anion; monoatomic iodine	human metabolite
dieldrin	[no description available]	medium	1	0	epoxide; organochlorine compound; organochlorine insecticide	carcinogenic agent; xenobiotic
endrin	[no description available]	medium	1	0
endosulfan	[no description available]	medium	1	0	cyclic sulfite ester; cyclodiene organochlorine insecticide	acaricide; agrochemical; GABA-gated chloride channel antagonist; persistent organic pollutant
laudanosine	[no description available]	medium	1	0	isoquinolines
3-mercaptopropionic acid	[no description available]	medium	2	0	mercaptopropanoic acid	algal metabolite
amoxapine	[no description available]	medium	1	0	dibenzooxazepine	adrenergic uptake inhibitor; antidepressant; dopaminergic antagonist; geroprotector; serotonin uptake inhibitor
cyanopindolol	[no description available]	medium	1	0	indoles
1-methyl-4-phenylpyridinium	[no description available]	medium	1	0	pyridinium ion	apoptosis inducer; herbicide; human xenobiotic metabolite; neurotoxin
ibogaine	[no description available]	medium	1	0
tabernanthine	[no description available]	medium	1	0
cholesteryl succinate	[no description available]	medium	1	0	cholestane ester; dicarboxylic acid monoester; hemisuccinate	detergent
tranylcypromine	[no description available]	medium	1	0	2-phenylcyclopropan-1-amine
pyrazolone	[no description available]	medium	1	0
pyrazines	[no description available]	medium	1	0	diazine; pyrazines	Daphnia magna metabolite
isatin	[no description available]	medium	1	0	indoledione	EC 1.4.3.4 (monoamine oxidase) inhibitor; plant metabolite
3-(2-carboxypiperazin-4-yl)propyl-1-phosphonic acid	[no description available]	medium	3	0
allylglycine	[no description available]	medium	1	0
pipecolic acid	[no description available]	medium	1	0	piperidinemonocarboxylic acid
3-iodopindolol	[no description available]	medium	1	0
picric acid	[no description available]	medium	1	0	C-nitro compound	antiseptic drug; explosive; fixative
carboline-3-carboxylic acid	[no description available]	medium	1	0
kynurenine	[no description available]	medium	1	0	aromatic ketone; non-proteinogenic alpha-amino acid; substituted aniline	human metabolite
3-hydroxykynurenine	[no description available]	medium	1	0	hydroxykynurenine	human metabolite
selfotel	[no description available]	medium	2	0	non-proteinogenic alpha-amino acid
n(6)-cyclohexyladenosine	[no description available]	medium	1	0
pyrithioxin	[no description available]	medium	1	0	methylpyridines
wb 4101	[no description available]	medium	1	0	aromatic ether; benzodioxine; secondary amino compound	alpha-adrenergic antagonist
chloralose	[no description available]	medium	1	0
ketazolam	[no description available]	medium	1	0	benzodiazepine
proadifen	[no description available]	medium	1	0	diarylmethane
mono-n-demethyladinazolam	[no description available]	medium	1	0
guanylyl imidodiphosphate	[no description available]	medium	1	0	nucleoside triphosphate analogue
5,5-diphenylbarbituric acid	[no description available]	medium	1	0
guanine	[no description available]	medium	1	0	2-aminopurines; oxopurine; purine nucleobase	algal metabolite; Escherichia coli metabolite; human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite
ripazepam	[no description available]	medium	1	0	benzenes
barbituric acid	[no description available]	medium	1	0	barbiturates	allergen; xenobiotic
iodoacetamide	[no description available]	medium	1	0
cm 40907	[no description available]	medium	1	0
cobalt	[no description available]	medium	2	0	cobalt group element atom; metal allergen	micronutrient
thioinosine	[no description available]	medium	1	0
4-nitrobenzylthioinosine	[no description available]	medium	1	0	purine nucleoside
bucladesine	[no description available]	medium	1	0	3',5'-cyclic purine nucleotide
enkephalin, leucine-2-alanine	[no description available]	medium	2	0
bicuculline methochloride	[no description available]	medium	2	0
cyclazocine	[no description available]	medium	1	0
ethylketocyclazocine	[no description available]	medium	1	0
diprenorphine	[no description available]	medium	1	0	morphinane alkaloid
phenethylamine	[no description available]	medium	1	0	alkaloid; aralkylamine; phenylethylamine	Escherichia coli metabolite; human metabolite; mouse metabolite
hypotaurine	[no description available]	medium	1	0	aminosulfinic acid; zwitterion	human metabolite; metabolite; mouse metabolite
theobromine	[no description available]	medium	1	0	dimethylxanthine	adenosine receptor antagonist; bronchodilator agent; food component; human blood serum metabolite; mouse metabolite; plant metabolite; vasodilator agent
pyro(l-alpha-aminoadipyl)-l-histidyl-l-thiazolidine-4-carboxamide	[no description available]	medium	1	0
dn 1417	[no description available]	medium	1	0
l-pyroglutamyl-l-histidyl-3,3-dimethylprolinamide	[no description available]	medium	1	0
thiazolidines	[no description available]	medium	1	0	thiazolidine
cismethrin	[no description available]	medium	1	0
pyrethrins	[no description available]	medium	1	0
fenvalerate	[no description available]	medium	1	0	aromatic ether; carboxylic ester; monochlorobenzenes	pyrethroid ester acaricide; pyrethroid ester insecticide
cypermethrin	[no description available]	medium	1	0	aromatic ether; cyclopropanecarboxylate ester; nitrile; organochlorine compound	agrochemical; molluscicide; pyrethroid ester acaricide; pyrethroid ester insecticide
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
hippuric acid	[no description available]	medium	1	0	N-acylglycine	human blood serum metabolite; uremic toxin
clidinium	[no description available]	medium	1	0	diarylmethane
gentamicin	[no description available]	medium	1	0
mirex	[no description available]	medium	1	0	chlorocarbon; organochlorine insecticide	persistent organic pollutant
vinpocetine	[no description available]	medium	1	1	alkaloid	geroprotector
naphazoline	[no description available]	medium	1	0	naphthalenes
nafimidone	[no description available]	medium	1	0
rilmazafone	[no description available]	medium	1	0	benzophenones
gallamine triethiodide	[no description available]	medium	1	1
iodine	[no description available]	medium	1	0	diatomic iodine	nutrient
fomesafen	[no description available]	medium	10	1	aromatic ether; C-nitro compound; monochlorobenzenes; N-sulfonylcarboxamide; organofluorine compound; phenols	agrochemical; EC 1.3.3.4 (protoporphyrinogen oxidase) inhibitor; herbicide
hypericum	[no description available]	medium	1	0	penicillanic acids
kava	[no description available]	medium	1	0
eye	[no description available]	medium	1	0
isomethyleugenol	[no description available]	medium	2	0	isomethyleugenol
jaw	[no description available]	medium	1	0	indolecarboxamide
foxes	[no description available]	medium	1	0
apnea	[no description available]	medium	1	0	purine nucleoside
humulene	[no description available]	medium	1	0	alpha-humulene
phenylephrine hydrochloride	[no description available]	medium	1	0	hydrochloride
propiconazole	[no description available]	medium	1	1	conazole fungicide; cyclic ketal; dichlorobenzene; triazole fungicide; triazoles	antifungal agrochemical; EC 1.14.13.70 (sterol 14alpha-demethylase) inhibitor; environmental contaminant; xenobiotic
torpedo	[no description available]	medium	1	0
benzquinamide	[no description available]	low	0	0	monocarboxylic acid amide	antiemetic; antipsychotic agent; H1-receptor antagonist; muscarinic antagonist; sedative
ethinamate	[no description available]	low	0	0	carbamate ester; terminal acetylenic compound	sedative
periciazine	[no description available]	low	0	0	hydroxypiperidine; nitrile; phenothiazines	adrenergic antagonist; first generation antipsychotic; sedative
xylazine	[no description available]	low	0	0	1,3-thiazine; methylbenzene; secondary amino compound	alpha-adrenergic agonist; analgesic; emetic; muscle relaxant; sedative
promethazine hydrochloride	[no description available]	low	0	0	hydrochloride	anti-allergic agent; anticoronaviral agent; antiemetic; antipruritic drug; geroprotector; H1-receptor antagonist; local anaesthetic; sedative
methapyrilene hydrochloride	[no description available]	low	0	0	hydrochloride	anti-allergic agent; carcinogenic agent; H1-receptor antagonist; sedative
diphenhydramine hydrochloride	[no description available]	low	0	0	hydrochloride; organoammonium salt	anti-allergic agent; antiemetic; antiparkinson drug; antipruritic drug; H1-receptor antagonist; local anaesthetic; muscarinic antagonist; sedative
terpinolene	[no description available]	low	0	0	p-menthadiene	insect repellent; plant metabolite; sedative; volatile oil component
fenadiazole	[no description available]	low	0	0	1,3,4-oxadiazoles; biaryl; phenols	sedative
paraldehyde	[no description available]	low	0	0	trioxane	sedative
buspirone hydrochloride	[no description available]	low	0	0	hydrochloride	anxiolytic drug; EC 3.4.21.26 (prolyl oligopeptidase) inhibitor; sedative; serotonergic agonist
midazolam hydrochloride	[no description available]	low	0	0	hydrochloride; imidazobenzodiazepine	anticonvulsant; antineoplastic agent; anxiolytic drug; apoptosis inducer; central nervous system depressant; GABAA receptor agonist; general anaesthetic; muscle relaxant; sedative
3-methylfentanyl	[no description available]	low	0	0	monocarboxylic acid amide; piperidines	mu-opioid receptor agonist; opioid analgesic; sedative
trazodone hydrochloride	[no description available]	low	0	0	hydrochloride	adrenergic antagonist; antidepressant; H1-receptor antagonist; sedative; serotonin uptake inhibitor
brexanolone	[no description available]	low	0	0	3-hydroxy-5alpha-pregnan-20-one	antidepressant; GABA modulator; human metabolite; intravenous anaesthetic; sedative
lactucin	[no description available]	low	0	0	azulenofuran; cyclic terpene ketone; enone; primary alcohol; secondary alcohol; sesquiterpene lactone	antimalarial; plant metabolite; sedative
etorphine	[no description available]	low	0	0	alcohol; morphinane alkaloid	opioid analgesic; opioid receptor agonist; sedative
eszopiclone	[no description available]	low	0	0	zopiclone	central nervous system depressant; sedative
thiamylal	[no description available]	low	0	0	barbiturates; organosulfur compound	sedative
ritanserin	[no description available]	low	0	0	organofluorine compound; piperidines; thiazolopyrimidine	antidepressant; antipsychotic agent; anxiolytic drug; dopaminergic antagonist; EC 3.4.21.26 (prolyl oligopeptidase) inhibitor; serotonergic antagonist
paroxetine hydrochloride	[no description available]	low	0	0	hydrochloride	antidepressant; anxiolytic drug; hepatotoxic agent; P450 inhibitor; serotonin uptake inhibitor
glutaurine	[no description available]	low	0	0	dipeptide zwitterion; dipeptide; L-glutamine derivative; sulfonic acid	anticonvulsant; anxiolytic drug; hormone; human metabolite; mammalian metabolite; mouse metabolite
amperozide	[no description available]	medium	0	0	diarylmethane; monofluorobenzenes; N-alkylpiperazine; secondary carboxamide; ureas	anxiolytic drug; dopamine uptake inhibitor; geroprotector; second generation antipsychotic; serotonergic antagonist
amperozide hydrochloride	[no description available]	low	0	0	hydrochloride	anxiolytic drug; dopamine uptake inhibitor; geroprotector; second generation antipsychotic; serotonergic antagonist
1-((4-fluorobenzoylamino)ethyl)-4-(7-methoxy-1-naphthyl)piperazine hydrochloride	[no description available]	low	0	0	hydrochloride	anxiolytic drug; serotonergic agonist
spinosin	[no description available]	low	0	0	dihydroxyflavone; flavone C-glycoside; monomethoxyflavone	anxiolytic drug; plant metabolite
ANA-12	[no description available]	low	0	0	1-benzothiophenes; caprolactams; secondary carboxamide	antidepressant; anxiolytic drug; tropomyosin-related kinase B receptor antagonist
6-methyl-2-(phenylethynyl)pyridine	[no description available]	low	0	0	acetylenic compound; methylpyridines	anxiolytic drug; metabotropic glutamate receptor antagonist
paroxetine maleate	[no description available]	low	0	0	maleate salt	antidepressant; anxiolytic drug; hepatotoxic agent; P450 inhibitor; serotonin uptake inhibitor
2-methyl-6-(phenylethynyl)pyridine hydrochloride	[no description available]	low	0	0	hydrochloride	anxiolytic drug; metabotropic glutamate receptor antagonist
ly 404039	[no description available]	low	0	0	bridged compound; dicarboxylic acid; non-proteinogenic amino acid derivative; organic heterobicyclic compound; sulfone	antipsychotic agent; anxiolytic drug; dopamine agonist; metabotropic glutamate receptor agonist
vortioxetine	[no description available]	low	0	0	aryl sulfide; N-arylpiperazine	antidepressant; anxiolytic drug; serotonergic agonist; serotonergic antagonist
ly 379268	[no description available]	low	0	0	amino dicarboxylic acid; bridged compound; organic heterobicyclic compound	antipsychotic agent; anxiolytic drug; metabotropic glutamate receptor agonist; neuroprotective agent
demethylmirtazapine	[no description available]	low	0	0	benzazepine; tetracyclic antidepressant	alpha-adrenergic antagonist; anxiolytic drug; H1-receptor antagonist; histamine antagonist; human xenobiotic metabolite; serotonergic antagonist
ro 5-3335	[no description available]	low	0	0	1,4-benzodiazepinone; organochlorine compound; pyrroles	anti-HIV-1 agent; antineoplastic agent; HIV-1 Tat inhibitor; RUNX1 inhibitor
cyclopeptine	[no description available]	low	0	0	1,4-benzodiazepinone
dinitrochlorobenzene	[no description available]	low	0	0	C-nitro compound; monochlorobenzenes	allergen; epitope; sensitiser
levoplast	[no description available]	low	0	0	C-nitro compound
4-nitrobenzaldehyde	[no description available]	low	0	0	benzaldehydes; C-nitro compound
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
3-nitropropionic acid	[no description available]	low	0	0	C-nitro compound	antimycobacterial drug; EC 1.3.5.1 [succinate dehydrogenase (quinone)] inhibitor; mycotoxin; neurotoxin
aristolochic acid i	[no description available]	low	0	0	aristolochic acids; aromatic ether; C-nitro compound; cyclic acetal; monocarboxylic acid; organic heterotetracyclic compound	carcinogenic agent; metabolite; mutagen; nephrotoxin; toxin
bay-k-8644	[no description available]	low	0	0	(trifluoromethyl)benzenes; C-nitro compound; dihydropyridine; methyl ester
benefin	[no description available]	low	0	0	C-nitro compound; organofluorine compound; substituted aniline; tertiary amino compound	agrochemical; herbicide
dimetridazole	[no description available]	low	0	0	C-nitro compound; imidazoles	antiparasitic agent; antiprotozoal drug
etanidazole	[no description available]	low	0	0	C-nitro compound; imidazoles; monocarboxylic acid amide	alkylating agent; antineoplastic agent; prodrug; radiosensitizing agent
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
niclosamide	[no description available]	low	0	0	benzamides; C-nitro compound; monochlorobenzenes; salicylanilides; secondary carboxamide	anthelminthic drug; anticoronaviral agent; antiparasitic agent; apoptosis inducer; molluscicide; piscicide; STAT3 inhibitor
n-(2-cyclohexyloxy-4-nitrophenyl)methanesulfonamide	[no description available]	low	0	0	aromatic ether; C-nitro compound; sulfonamide	antineoplastic agent; cyclooxygenase 2 inhibitor
4-nitrophenylacetic acid	[no description available]	low	0	0	C-nitro compound; phenylacetic acids
ronidazole	[no description available]	low	0	0	C-nitro compound; carbamate ester; imidazoles	antiparasitic agent; antiprotozoal drug
trifluralin	[no description available]	low	0	0	(trifluoromethyl)benzenes; C-nitro compound; substituted aniline	agrochemical; environmental contaminant; herbicide; xenobiotic
4-nitroquinoline-1-oxide	[no description available]	low	0	0	C-nitro compound; quinoline N-oxide	carcinogenic agent
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
nifenalol	[no description available]	low	0	0	C-nitro compound
chloropicrin	[no description available]	low	0	0	C-nitro compound; one-carbon compound; organochlorine compound	antifungal agrochemical; fumigant insecticide; nematicide
quintozene	[no description available]	low	0	0	aromatic fungicide; C-nitro compound; pentachlorobenzenes	antifungal agrochemical
musk ambrette (artificial)	[no description available]	low	0	0	C-nitro compound
1-chloro-2-nitrobenzene	[no description available]	low	0	0	C-nitro compound; monochlorobenzenes
picryl chloride	[no description available]	low	0	0	C-nitro compound; monochlorobenzenes	allergen; epitope; explosive; hapten
2,4-dinitrobenzenesulfonic acid	[no description available]	low	0	0	arenesulfonic acid; C-nitro compound
2-nitro-4-methylaniline	[no description available]	low	0	0	C-nitro compound
3,5-dinitrobenzoic acid	[no description available]	low	0	0	benzoic acids; C-nitro compound
5-nitro-2-toluidine	[no description available]	low	0	0	C-nitro compound
4-chloronitrobenzene	[no description available]	low	0	0	C-nitro compound
4-nitrobenzyl chloride	[no description available]	low	0	0	benzyl chlorides; C-nitro compound	mutagen
4-nitroacetophenone	[no description available]	low	0	0	acetophenones; C-nitro compound
tecnazene	[no description available]	low	0	0	aromatic fungicide; C-nitro compound; tetrachlorobenzene	antifungal agrochemical
4-amino-2-nitrotoluene	[no description available]	low	0	0	C-nitro compound
2-amino-5-nitrothiazole	[no description available]	low	0	0	C-nitro compound; thiazoles
naphthol yellow	[no description available]	low	0	0	C-nitro compound; naphthalenesulfonic acid; naphthols	histological dye
azomycin	[no description available]	low	0	0	C-nitro compound; imidazoles	antitubercular agent
trinitrobenzenesulfonic acid	[no description available]	low	0	0	arenesulfonic acid; C-nitro compound	epitope; explosive; reagent
2-nitrobenzaldehyde	[no description available]	low	0	0	benzaldehydes; C-nitro compound
1-bromo-2,4-dinitrobenzene	[no description available]	low	0	0	C-nitro compound; organobromine compound
3,5-dinitrosalicylic acid	[no description available]	low	0	0	C-nitro compound; monohydroxybenzoic acid	hapten
3,5-dinitrotoluene	[no description available]	low	0	0	C-nitro compound
2-methyl-5-nitroimidazole	[no description available]	low	0	0	C-nitro compound; imidazoles
5-nitro-2-furaldehyde	[no description available]	low	0	0	C-nitro compound; furans
4-nitrophenyl acetate	[no description available]	low	0	0	C-nitro compound; phenyl acetates
methylparaoxon	[no description available]	low	0	0	C-nitro compound
dinobuton	[no description available]	low	0	0	C-nitro compound
pyrrolnitrin	[no description available]	low	0	0	alkaloid; C-nitro compound; monochlorobenzenes; pyrroles	antifungal drug; bacterial metabolite
dinoterb	[no description available]	low	0	0	C-nitro compound; phenols
2,4-dinitrothiocyanatobenzene	[no description available]	low	0	0	C-nitro compound; thiocyanates	hapten; tolerogen
2,4,6-trichlorophenyl 4-nitrophenyl ether	[no description available]	low	0	0	aromatic ether; C-nitro compound; chlorobenzenes	EC 1.3.3.4 (protoporphyrinogen oxidase) inhibitor; herbicide
n-methylamino-2-nitro-4-n',n'-bis(2-hydroxyethyl)aminobenzene	[no description available]	low	0	0	C-nitro compound
4-nitroimidazole	[no description available]	low	0	0	C-nitro compound; imidazoles
2-(alpha-thenoylamino)-2-nitro-5-thiazole	[no description available]	low	0	0	1,3-thiazoles; C-nitro compound
nitroxoline	[no description available]	low	0	0	C-nitro compound; monohydroxyquinoline	antifungal agent; antiinfective agent; antimicrobial agent; renal agent
nitralin	[no description available]	low	0	0	C-nitro compound
1,2-epoxy-3-(p-nitrophenoxy)propane	[no description available]	low	0	0	aromatic ether; C-nitro compound; epoxide
nimorazole	[no description available]	low	0	0	C-nitro compound; imidazoles
4-chloro-7-nitrobenzofurazan	[no description available]	low	0	0	benzoxadiazole; C-nitro compound; organochlorine compound	EC 1.4.3.4 (monoamine oxidase) inhibitor; EC 3.6.1.3 (adenosinetriphosphatase) inhibitor; fluorescent probe; fluorochrome
ipronidazole	[no description available]	low	0	0	C-nitro compound; imidazoles
ornidazole	[no description available]	low	0	0	C-nitro compound; imidazoles; organochlorine compound; secondary alcohol	antiamoebic agent; antibacterial drug; antiinfective agent; antiprotozoal drug; antitrichomonal drug; epitope
oryzalin	[no description available]	low	0	0	aromatic amine; C-nitro compound; sulfonamide; tertiary amino compound	agrochemical; antimitotic; herbicide
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
benzonidazole	[no description available]	low	0	0	C-nitro compound; imidazoles; monocarboxylic acid amide	antiprotozoal drug
N-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-1-(5-nitro-2-furanyl)methanimine	[no description available]	low	0	0	C-nitro compound; furans
3-nitro-1-propanol	[no description available]	low	0	0	C-nitro compound
amoscanate	[no description available]	low	0	0	C-nitro compound; isothiocyanate; secondary amino compound	schistosomicide drug
profluralin	[no description available]	low	0	0	C-nitro compound
dinitramine	[no description available]	low	0	0	C-nitro compound
hc blue no. 2	[no description available]	low	0	0	C-nitro compound
fluchloralin	[no description available]	low	0	0	C-nitro compound
butralin	[no description available]	low	0	0	C-nitro compound
isopropalin	[no description available]	low	0	0	C-nitro compound
pendimethalin	[no description available]	low	0	0	C-nitro compound; secondary amino compound; substituted aniline	agrochemical; environmental contaminant; herbicide
ethafluralin	[no description available]	low	0	0	C-nitro compound
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
bromethalin	[no description available]	low	0	0	C-nitro compound
bmy 25067	[no description available]	low	0	0	C-nitro compound; organic disulfide	antineoplastic agent
2-Amino-5-(5-nitro-2-furyl)-1,3,4-thiadiazole	[no description available]	low	0	0	C-nitro compound; furans
musk xylene	[no description available]	low	0	0	C-nitro compound	carcinogenic agent; explosive; fragrance
4-nitrophenylalanine	[no description available]	low	0	0	C-nitro compound
4-nitrobenzyl bromide	[no description available]	low	0	0	benzyl bromides; C-nitro compound	allergen; sensitiser
nitarsone	[no description available]	low	0	0	C-nitro compound; organoarsonic acid	agrochemical; antiprotozoal drug
5'-nitro-2'-propoxyacetanilide	[no description available]	low	0	0	aromatic ether; C-nitro compound
cinitapride	[no description available]	low	0	0	aromatic ether; C-nitro compound
5-nitrouracil	[no description available]	low	0	0	C-nitro compound
3-nitrobenzyl alcohol	[no description available]	low	0	0	C-nitro compound
4-nitrobenzyl alcohol	[no description available]	low	0	0	benzyl alcohols; C-nitro compound	xenobiotic metabolite
secnidazole	[no description available]	low	0	0	C-nitro compound; imidazoles; secondary alcohol	epitope
4-nitrophenyl palmitate	[no description available]	low	0	0	C-nitro compound; hexadecanoate ester
4-nitrophenyl butyrate	[no description available]	low	0	0	butyrate ester; C-nitro compound
2-nitrophenylacetic acid	[no description available]	low	0	0	C-nitro compound; phenylacetic acids
4-nitrophenyl sulfate	[no description available]	low	0	0	aryl sulfate; C-nitro compound	human metabolite
4-nitrophenyl-alpha-l-fucoside	[no description available]	low	0	0	alpha-L-fucoside; C-nitro compound	chromogenic compound
4-nitrophenylglucuronide	[no description available]	low	0	0	beta-D-glucosiduronic acid; C-nitro compound	chromogenic compound
chloramphenicol stearate	[no description available]	low	0	0	C-nitro compound
4,5-dimethoxy-2-nitrobenzaldehyde	[no description available]	low	0	0	aromatic ether; C-nitro compound
4-nitrophenyl beta-d-xyloside	[no description available]	low	0	0	C-nitro compound; xyloside	chromogenic compound
fluazinam	[no description available]	low	0	0	(trifluoromethyl)benzenes; aminopyridine; C-nitro compound; chloropyridine; monochlorobenzenes; secondary amino compound	allergen; antifungal agrochemical; apoptosis inducer; environmental contaminant; xenobiotic
2-nitropropanol	[no description available]	low	0	0	C-nitro compound
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
4-nitrophenyl beta-d-glucoside	[no description available]	low	0	0	beta-D-glucoside; C-nitro compound	chromogenic compound
4-nitrophenyl alpha-glucoside	[no description available]	low	0	0	alpha-D-glucoside; C-nitro compound; monosaccharide derivative	chromogenic compound
bnps-skatole	[no description available]	low	0	0	aryl sulfide; bromoindole; C-nitro compound	reagent
nitrophenylgalactosides	[no description available]	low	0	0	beta-D-galactoside; C-nitro compound	chromogenic compound
6-n-(2,4-dinitrophenyl)aminohexanoic acid	[no description available]	low	0	0	C-nitro compound
5-nitro-2-(1-piperidinyl)pyridine	[no description available]	low	0	0	C-nitro compound
s-(4-nitrobenzyl)glutathione	[no description available]	low	0	0	C-nitro compound; organic sulfide; S-substituted glutathione
4-nitrophenyl-2-acetamido-2-deoxy-beta-d-glucopyranoside	[no description available]	low	0	0	C-nitro compound; N-acetyl-beta-D-glucosaminide	chromogenic compound
miserotoxin	[no description available]	low	0	0	beta-D-glucoside; C-nitro compound	phytotoxin
aristolochic acid ii	[no description available]	low	0	0	aristolochic acids; aromatic ether; C-nitro compound; cyclic acetal; monocarboxylic acid; organic heterotetracyclic compound	carcinogenic agent; metabolite; mutagen; nephrotoxin; toxin
efonidipine	[no description available]	low	0	0	C-nitro compound; carboxylic ester; dihydropyridine; tertiary amino compound
1-(2-hydroxyethyl)-2-hydroxymethyl-5-nitroimidazole	[no description available]	low	0	0	C-nitro compound; imidazoles
pyrrolomycin a	[no description available]	low	0	0	antibiotic antifungal agent; C-nitro compound; organochlorine compound; pyrroles	antibacterial agent; bacterial metabolite
2,8-dinitroimipramine	[no description available]	low	0	0	C-nitro compound; dibenzoazepine; tertiary amino compound
7-nitrobenzoxadiazole-6-aminohexanoic acid	[no description available]	low	0	0	benzoxadiazole; C-nitro compound; epsilon-amino acid; secondary amino compound	fluorochrome
aristolochic acid D	[no description available]	low	0	0	aristolochic acids; aromatic ether; C-nitro compound; cyclic acetal; monocarboxylic acid; organic heterotetracyclic compound	carcinogenic agent; metabolite; nephrotoxin; toxin
ag 3-5	[no description available]	low	0	0	C-nitro compound
thymidine 5'-4-nitrophenyl phosphate	[no description available]	low	0	0	aryl phosphate; C-nitro compound; pyrimidine 2'-deoxyribonucleoside 5'-monophosphate
aristolochic acid c	[no description available]	low	0	0	aristolochic acids; aromatic ether; C-nitro compound; cyclic acetal; monocarboxylic acid; organic heterotetracyclic compound	carcinogenic agent; metabolite; mutagen; nephrotoxin; toxin
mesotrione	[no description available]	low	0	0	aromatic ketone; beta-triketone; C-nitro compound; sulfone	carotenoid biosynthesis inhibitor; EC 1.13.11.27 (4-hydroxyphenylpyruvate dioxygenase) inhibitor; environmental contaminant; herbicide; xenobiotic
3-nitrotyrosine	[no description available]	low	0	0	2-nitrophenols; C-nitro compound; nitrotyrosine; non-proteinogenic alpha-amino acid
4-[4-(3-methyl-4-nitrophenoxy)butoxy]benzonitrile	[no description available]	low	0	0	aromatic ether; C-nitro compound
N-(4-nitrophenyl)-2-phenoxyacetamide	[no description available]	low	0	0	C-nitro compound
2-(3-nitrophenyl)-5-phenyl-1,3,4-oxadiazole	[no description available]	low	0	0	C-nitro compound
7-nitro-5-indeno[1,2-b]pyridinone	[no description available]	low	0	0	C-nitro compound
5-(4-nitrophenyl)-4-phenyl-2-thiazolamine	[no description available]	low	0	0	C-nitro compound
N1-(4H-1,2,4-triazol-4-yl)-4-nitrobenzamide	[no description available]	low	0	0	C-nitro compound
2-methoxy-4-[(4-methyl-1,4-diazepan-1-yl)methyl]-6-nitrophenol	[no description available]	low	0	0	aromatic ether; C-nitro compound
N-(6-methyl-2-pyridinyl)-5-nitro-2-furancarboxamide	[no description available]	low	0	0	C-nitro compound; furans
(3,5-dimethyl-1-pyrazolyl)-(2-ethyl-4-nitro-3-pyrazolyl)methanone	[no description available]	low	0	0	C-nitro compound
N-(4-methyl-2-pyridinyl)-5-nitro-2-furancarboxamide	[no description available]	low	0	0	C-nitro compound; furans
4,5-dimethyl-2-[4-(3-nitrophenyl)-2-thiazolyl]-1H-pyrazol-3-one	[no description available]	low	0	0	C-nitro compound
N-methyl-2-[[4-methyl-5-[(4-nitrophenoxy)methyl]-1,2,4-triazol-3-yl]thio]acetamide	[no description available]	low	0	0	aromatic ether; C-nitro compound
N-[2-(4-fluorophenyl)ethyl]-4-nitrobenzamide	[no description available]	low	0	0	C-nitro compound
N-(2-fluoro-5-nitrophenyl)-2,2-dimethylbutanamide	[no description available]	low	0	0	C-nitro compound
3-(2-methoxyphenyl)-6-(3-nitrophenyl)-1,4-dihydropyrimidin-2-one	[no description available]	low	0	0	C-nitro compound
3-ethyl-6-(4-nitrophenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine	[no description available]	low	0	0	C-nitro compound
5-hydroxy-7-(4-nitrophenyl)-1,3-benzoxathiol-2-one	[no description available]	low	0	0	C-nitro compound
1-(3,4-dimethoxyphenyl)-3-(2-methoxy-5-nitrophenyl)urea	[no description available]	low	0	0	aromatic ether; C-nitro compound
N-(1-ethyl-2-benzimidazolyl)-5-[(4-methyl-2-nitrophenoxy)methyl]-2-furancarboxamide	[no description available]	low	0	0	aromatic ether; C-nitro compound
2-[[cyclohexyl(oxo)methyl]amino]-4-(3-nitrophenyl)-3-thiophenecarboxylic acid ethyl ester	[no description available]	low	0	0	C-nitro compound
1-(3-methoxy-5-nitrophenyl)-3-(4-methylphenyl)urea	[no description available]	low	0	0	aromatic ether; C-nitro compound
N-(5-tert-butyl-3-isoxazolyl)-3-nitrobenzamide	[no description available]	low	0	0	C-nitro compound
2-[[5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]thio]-N-(2-pyridinyl)acetamide	[no description available]	low	0	0	C-nitro compound
N-(2-methyl-5-nitrophenyl)-4,6-bis(1-pyrrolidinyl)-1,3,5-triazin-2-amine	[no description available]	low	0	0	C-nitro compound
4-methoxy-N-[5-(4-methoxyphenyl)-4-(4-nitrophenyl)-2-thiazolyl]benzamide	[no description available]	low	0	0	C-nitro compound
4-methyl-2-(4-nitrophenyl)-5-thiazolecarboxylic acid	[no description available]	low	0	0	C-nitro compound
5-carbamoyl-4-methyl-2-[[(3-nitrophenyl)-oxomethyl]amino]-3-thiophenecarboxylic acid methyl ester	[no description available]	low	0	0	C-nitro compound
4-(3,5-dimethyl-4-nitro-1-pyrazolyl)butanoic acid	[no description available]	low	0	0	C-nitro compound
1-(3-fluorophenyl)-4-(4-hydroxy-3-methoxy-5-nitrophenyl)-4H-pyridine-3,5-dicarboxylic acid diethyl ester	[no description available]	low	0	0	aromatic ether; C-nitro compound
N-[5-(4-methoxyphenyl)-4-(4-nitrophenyl)-2-thiazolyl]-4-methylbenzamide	[no description available]	low	0	0	C-nitro compound
1,3-dimethyl-5-[[2-[2-(4-nitrophenoxy)ethoxy]phenyl]methylidene]-1,3-diazinane-2,4,6-trione	[no description available]	low	0	0	aromatic ether; C-nitro compound
stattic	[no description available]	low	0	0	1-benzothiophenes; C-nitro compound; sulfone	antineoplastic agent; radiosensitizing agent; STAT3 inhibitor
2-fluoro-N-[2,2,2-trichloro-1-[[(4-methoxy-2-nitroanilino)-sulfanylidenemethyl]amino]ethyl]acetamide	[no description available]	low	0	0	aromatic ether; C-nitro compound
2-amino-4-(4,5-dimethoxy-2-nitrophenyl)-7,7-dimethyl-5-oxo-6,8-dihydro-4H-1-benzopyran-3-carbonitrile	[no description available]	low	0	0	aromatic ether; C-nitro compound
2,4-dichloro-N-[2,2,2-trichloro-1-[[(4-methoxy-2-nitroanilino)-sulfanylidenemethyl]amino]ethyl]benzamide	[no description available]	low	0	0	aromatic ether; C-nitro compound
N2-tert-butyl-6-ethoxy-N4-(4-nitrophenyl)-1,3,5-triazine-2,4-diamine	[no description available]	low	0	0	C-nitro compound
N-[4-methyl-5-[2-(3-nitroanilino)-4-thiazolyl]-2-thiazolyl]acetamide	[no description available]	low	0	0	C-nitro compound
2-methyl-N-[5-(4-nitrophenyl)sulfonyl-2-thiazolyl]pentanamide	[no description available]	low	0	0	C-nitro compound
N-[(2-ethyl-1-piperidinyl)-sulfanylidenemethyl]-4-nitrobenzamide	[no description available]	low	0	0	C-nitro compound
4-[[3-methoxy-4-[(4-nitrophenyl)methoxy]phenyl]-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)methyl]-5-methyl-1,2-dihydropyrazol-3-one	[no description available]	low	0	0	C-nitro compound
N-(4-chloro-3-nitrophenyl)-3-phenylbutanamide	[no description available]	low	0	0	C-nitro compound
3-(n,n-dimethylsulfonamido)-4-methyl-nitrobenzene	[no description available]	low	0	0	C-nitro compound; sulfonamide; toluenes	bone density conservation agent; EC 3.1.4.53 (3',5'-cyclic-AMP phosphodiesterase) inhibitor; geroprotector
2-[(4-chlorophenyl)sulfonyl-methylamino]-N-(4-methoxy-2-nitrophenyl)acetamide	[no description available]	low	0	0	aromatic ether; C-nitro compound
1-(2-fluorophenyl)-3-(4-methoxy-2-nitrophenyl)urea	[no description available]	low	0	0	aromatic ether; C-nitro compound
5-(2-nitrophenyl)-N-(2-thiazolyl)-2-furancarboxamide	[no description available]	low	0	0	C-nitro compound
ranitidine	[no description available]	low	0	0	C-nitro compound; furans; organic sulfide; tertiary amino compound	anti-ulcer drug; drug allergen; environmental contaminant; H2-receptor antagonist; xenobiotic
carnidazole	[no description available]	low	0	0	C-nitro compound; imidazoles
3-chloro-N-[2,2,2-trichloro-1-[[(4-methoxy-2-nitroanilino)-sulfanylidenemethyl]amino]ethyl]benzamide	[no description available]	low	0	0	aromatic ether; C-nitro compound
N-methyl-5-nitro-N-(phenylmethyl)-2-furancarboxamide	[no description available]	low	0	0	C-nitro compound; furans
3-nitro-N'-(2,4,6-trichlorophenyl)benzohydrazide	[no description available]	low	0	0	C-nitro compound
2-(2,2-dimethyl-4-oxanyl)-4-(4-nitrophenyl)thiazole	[no description available]	low	0	0	C-nitro compound
5-methyl-N-(3-methylphenyl)-4-nitro-1H-pyrazol-3-amine	[no description available]	low	0	0	C-nitro compound
3-nitro-N-[(1-oxopentylhydrazo)-sulfanylidenemethyl]benzamide	[no description available]	low	0	0	C-nitro compound
N-[[[2-(2-methylphenoxy)-1-oxoethyl]hydrazo]-sulfanylidenemethyl]-2-nitrobenzamide	[no description available]	low	0	0	C-nitro compound
N-(4-fluorophenyl)-5-nitro-2-pyridinamine	[no description available]	low	0	0	C-nitro compound
2-(4-chlorophenoxy)-N-(5-nitro-2-thiazolyl)acetamide	[no description available]	low	0	0	C-nitro compound; thiazoles
3-methyl-4-nitro-N-(1H-1,2,4-triazol-5-yl)benzamide	[no description available]	low	0	0	C-nitro compound
5-nitro-2-thiophenecarboxylic acid [2-oxo-2-(1-phenylethylamino)ethyl] ester	[no description available]	low	0	0	C-nitro compound; thiophenes
2-[(5-amino-1H-1,2,4-triazol-3-yl)thio]-N-(2-bromo-4-nitrophenyl)acetamide	[no description available]	low	0	0	C-nitro compound
4-nitrophenylhydrazine	[no description available]	low	0	0	C-nitro compound; phenylhydrazines	mutagen
4-(1-azepanyl)-6-hydrazinyl-N-(4-nitrophenyl)-1,3,5-triazin-2-amine	[no description available]	low	0	0	C-nitro compound
2-amino-7-methyl-4-(5-nitro-2-furanyl)-5-oxo-4H-pyrano[3,2-c]pyran-3-carbonitrile	[no description available]	low	0	0	C-nitro compound; furans
N4-(1,1-dioxo-3-thiolanyl)-5-nitropyrimidine-4,6-diamine	[no description available]	low	0	0	C-nitro compound
N4-(3-chlorophenyl)-N2-methyl-5-nitropyrimidine-2,4,6-triamine	[no description available]	low	0	0	C-nitro compound
4-nitrocatechol	[no description available]	low	0	0	C-nitro compound; catechols	human xenobiotic metabolite; lipoxygenase inhibitor
1-(1-naphthalenyl)-3-[[2-(2-nitrophenoxy)-1-oxoethyl]amino]urea	[no description available]	low	0	0	aromatic ether; C-nitro compound
nefurthiazole	[no description available]	low	0	0	C-nitro compound; furans
N-[5-(2,3-dihydro-1,4-dioxin-5-yl)-1,3,4-oxadiazol-2-yl]-5-nitro-2-thiophenecarboxamide	[no description available]	low	0	0	C-nitro compound; thiophenes
2-[(4-aminophenyl)thio]-N-(3-nitrophenyl)acetamide	[no description available]	low	0	0	C-nitro compound
3-[4-(2-hydroxyethylamino)-3-nitrophenyl]-4-methyl-4,5-dihydro-1H-pyridazin-6-one	[no description available]	low	0	0	C-nitro compound
2-[[6-amino-2-(3-methylanilino)-5-nitro-4-pyrimidinyl]amino]ethanol	[no description available]	low	0	0	C-nitro compound
N4-(3-fluorophenyl)-N2-[3-(4-morpholinyl)propyl]-5-nitropyrimidine-2,4,6-triamine	[no description available]	low	0	0	C-nitro compound
3-nitro-N-(2-phenylethyl)-2-pyridinamine	[no description available]	low	0	0	C-nitro compound
2-(4-nitrophenyl)-4-thiazolecarboxylic acid ethyl ester	[no description available]	low	0	0	C-nitro compound
N-(4-bromophenyl)-5-methyl-4-nitro-1H-pyrazol-3-amine	[no description available]	low	0	0	C-nitro compound
2,4-dinitrophenylhydrazine	[no description available]	low	0	0	C-nitro compound; phenylhydrazines	reagent
3-methyl-N-[[[(4-nitrophenyl)-oxomethyl]hydrazo]-sulfanylidenemethyl]butanamide	[no description available]	low	0	0	C-nitro compound
5-methyl-2-[[(4-nitrophenyl)-oxomethyl]hydrazo]-4-thiazolecarboxylic acid ethyl ester	[no description available]	low	0	0	C-nitro compound
N-(2-chlorophenyl)-4-[[(2-methoxy-4-nitroanilino)-sulfanylidenemethyl]hydrazo]-4-oxobutanamide	[no description available]	low	0	0	aromatic ether; C-nitro compound
5-nitro-2-thiophenecarboxylic acid [1-[(3,5-dichloro-2-pyridinyl)amino]-1-oxopropan-2-yl] ester	[no description available]	low	0	0	C-nitro compound; thiophenes
N-[2-[(4-methyl-1,2,5-oxadiazol-3-yl)oxy]ethyl]-4-nitroaniline	[no description available]	low	0	0	C-nitro compound
4-nitrocaramiphen	[no description available]	low	0	0	C-nitro compound
4-[(3-methyl-5-nitro-4-imidazolyl)amino]phenol	[no description available]	low	0	0	C-nitro compound; imidazoles
N-(2-methoxy-4-nitrophenyl)-2-[(1-methyl-2-imidazolyl)thio]acetamide	[no description available]	low	0	0	aromatic ether; C-nitro compound
N2-(3-methylphenyl)-6-(4-morpholinyl)-5-nitropyrimidine-2,4-diamine	[no description available]	low	0	0	C-nitro compound
sb 415286	[no description available]	low	0	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
N-[3-(N-(2-chloro-1-oxoethyl)-4-nitroanilino)propyl]-2,2,2-trifluoroacetamide	[no description available]	low	0	0	C-nitro compound; secondary carboxamide; tertiary carboxamide; trifluoroacetamide
2-[[6-amino-2-[3-(dimethylamino)propylamino]-5-nitro-4-pyrimidinyl]amino]ethanol	[no description available]	low	0	0	C-nitro compound
4-(3-chlorophenyl)sulfonyl-N-cyclohexyl-N-methyl-3-nitrobenzamide	[no description available]	low	0	0	C-nitro compound
6-(2-methyl-1-piperidinyl)-5-nitro-4-pyrimidinamine	[no description available]	low	0	0	C-nitro compound
1-(5-nitro-2-thiophenyl)piperidine	[no description available]	low	0	0	C-nitro compound; thiophenes
N-[2-(2,4,6-trinitrophenyl)ethyl]aniline	[no description available]	low	0	0	C-nitro compound
2-nitro-4-phenylenediamine	[no description available]	low	0	0	C-nitro compound; primary amino compound
N2-(2-furanylmethyl)-5-nitro-6-(1-pyrrolidinyl)pyrimidine-2,4-diamine	[no description available]	low	0	0	C-nitro compound
1-(2,5-dimethyl-1-prop-2-enyl-3-pyrrolyl)-2-[(6-methyl-2-nitro-3-pyridinyl)oxy]ethanone	[no description available]	low	0	0	C-nitro compound
N-(2-bromo-4-nitrophenyl)-2-[(5-propan-2-yl-1H-1,2,4-triazol-3-yl)thio]acetamide	[no description available]	low	0	0	C-nitro compound
5-nitro-2-thiophenecarboxylic acid [2-oxo-2-[(phenylmethyl)amino]ethyl] ester	[no description available]	low	0	0	C-nitro compound; thiophenes
2-(2,3-dihydroxypropylamino)-5-nitro-3-pyridinecarbonitrile	[no description available]	low	0	0	C-nitro compound
2-[(2-nitrophenyl)thio]-1-cyclooctanone	[no description available]	low	0	0	C-nitro compound
5-nitro-2-thiophenecarboxylic acid [2-oxo-2-[[oxo-[(phenylmethyl)amino]methyl]amino]ethyl] ester	[no description available]	low	0	0	C-nitro compound; thiophenes
N2-(2-furanylmethyl)-6-(3-methyl-1-piperidinyl)-5-nitropyrimidine-2,4-diamine	[no description available]	low	0	0	C-nitro compound
N'-(4-nitrophenyl)-9-oxo-3-bicyclo[3.3.1]nonanecarbohydrazide	[no description available]	low	0	0	C-nitro compound
alsterpaullone	[no description available]	low	0	0	C-nitro compound; caprolactams; organic heterotetracyclic compound	anti-HIV-1 agent; antineoplastic agent; apoptosis inducer; EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor; EC 2.7.11.22 (cyclin-dependent kinase) inhibitor; EC 2.7.11.26 (tau-protein kinase) inhibitor
2-(4-fluoro-3-nitrophenyl)-4,4-dimethyl-5H-oxazole	[no description available]	low	0	0	C-nitro compound
1,2-diamino-4-nitrobenzene	[no description available]	low	0	0	C-nitro compound; primary amino compound
N'-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]-4-nitrobenzohydrazide	[no description available]	low	0	0	C-nitro compound
furylfuramide	[no description available]	low	0	0	acrylamides; C-nitro compound; nitrofuran antibiotic; primary carboxamide
cilnidipine	[no description available]	low	0	0	2-methoxyethyl ester; C-nitro compound; dihydropyridine	antihypertensive agent; calcium channel blocker; cardiovascular drug
ro 61-8048	[no description available]	low	0	0	C-nitro compound
meptyldinocap	[no description available]	low	0	0	C-nitro compound; enoate ester
l796778	[no description available]	low	0	0	benzenes; C-nitro compound; L-lysine derivative; L-phenylalanine derivative; methyl ester; oligopeptide; secondary carboxamide; ureas	somatostatin receptor agonist
amocarzine	[no description available]	low	0	0	C-nitro compound; N-methylpiperazine; secondary amino compound; thioureas	antinematodal drug
nitrovin	[no description available]	low	0	0	C-nitro compound; furans
dihydroxymethylfuratrizine	[no description available]	low	0	0	C-nitro compound; furans
nifurpirinol	[no description available]	low	0	0	C-nitro compound; furans
azanidazole	[no description available]	low	0	0	C-nitro compound; imidazoles
aureothin	[no description available]	low	0	0	4-pyranones; C-nitro compound; ketene acetal; olefinic compound; oxolanes	antibacterial agent; antifungal agent; antineoplastic agent; antiparasitic agent; bacterial metabolite; EC 1.6.5.3 [NADH:ubiquinone reductase (H(+)-translocating)] inhibitor
nidroxyzone	[no description available]	low	0	0	C-nitro compound; furans
nifurzide	[no description available]	low	0	0	C-nitro compound; thiophenes
abt-737	[no description available]	low	0	0	aromatic amine; aryl sulfide; biphenyls; C-nitro compound; monochlorobenzenes; N-arylpiperazine; N-sulfonylcarboxamide; secondary amino compound; tertiary amino compound	anti-allergic agent; anti-inflammatory agent; antineoplastic agent; apoptosis inducer; B-cell lymphoma 2 inhibitor
5-(5-nitrothiazol-2-ylthio)-1,3,4-thiadiazol-2-amine	[no description available]	low	0	0	1,3-thiazoles; C-nitro compound; organic sulfide; primary amino compound; thiadiazoles	antibacterial agent; c-Jun N-terminal kinase inhibitor
[4-(2-chlorophenyl)sulfonyl-3-nitrophenyl]-[4-(phenylmethyl)-1-piperazinyl]methanone	[no description available]	low	0	0	C-nitro compound
2-[[5-(2-methylanilino)-1,3,4-thiadiazol-2-yl]thio]-N-(2-nitrophenyl)acetamide	[no description available]	low	0	0	C-nitro compound
2',3'-o-(2,4,6-trinitrophenyl)adenosine 5'-triphosphate	[no description available]	low	0	0	C-nitro compound; spiroketal	antagonist
2-(4-morpholinyl)-N'-[(2-nitrophenyl)-oxomethyl]-4-thiazolecarbohydrazide	[no description available]	low	0	0	C-nitro compound
N'-[(2-methyl-3-nitrophenyl)-oxomethyl]-2-(4-morpholinyl)-4-thiazolecarbohydrazide	[no description available]	low	0	0	C-nitro compound
ML-210	[no description available]	low	0	0	C-nitro compound; diarylmethane; isoxazoles; monochlorobenzenes; N-acylpiperazine; N-alkylpiperazine; tertiary carboxamide	antineoplastic agent; EC 1.11.1.9 (glutathione peroxidase) inhibitor; ferroptosis inducer; prodrug
abt-199	[no description available]	low	0	0	aromatic ether; C-nitro compound; monochlorobenzenes; N-alkylpiperazine; N-arylpiperazine; N-sulfonylcarboxamide; oxanes; pyrrolopyridine	antineoplastic agent; apoptosis inducer; B-cell lymphoma 2 inhibitor
chir 98014	[no description available]	low	0	0	aminopyrimidine; C-nitro compound; diaminopyridine; dichlorobenzene; imidazoles; secondary amino compound	antineoplastic agent; apoptosis inducer; EC 2.7.11.26 (tau-protein kinase) inhibitor; hypoglycemic agent; tau aggregation inhibitor; Wnt signalling activator
8-nitroguanosine 3',5'-cyclic monophosphate	[no description available]	low	0	0	3',5'-cyclic purine nucleotide; C-nitro compound	biomarker; Brassica napus metabolite; human metabolite; signalling molecule
ro 48-8071	[no description available]	low	0	0	aromatic ether; aromatic ketone; bromobenzenes; monofluorobenzenes; olefinic compound; tertiary amino compound	antineoplastic agent; EC 5.4.99.7 (lanosterol synthase) inhibitor
flutrimazole	[no description available]	low	0	0	imidazole antifungal drug; imidazoles; monofluorobenzenes	EC 1.14.13.70 (sterol 14alpha-demethylase) inhibitor
p-fluorophenylalanine	[no description available]	low	0	0	fluoroamino acid; monofluorobenzenes; non-proteinogenic alpha-amino acid; phenylalanine derivative
2-fluorophenylalanine	[no description available]	low	0	0	monofluorobenzenes; non-proteinogenic alpha-amino acid; phenylalanine derivative
4-fluorophenol	[no description available]	low	0	0	fluorophenol; monofluorobenzenes
azaperone	[no description available]	low	0	0	aminopyridine; aromatic ketone; monofluorobenzenes; N-alkylpiperazine; N-arylpiperazine; tertiary amino compound	antipsychotic agent; dopaminergic antagonist
difloxacin	[no description available]	low	0	0	fluoroquinolone antibiotic; monocarboxylic acid; monofluorobenzenes; N-alkylpiperazine; N-arylpiperazine; quinolone antibiotic; quinolone	antibacterial drug; Mycoplasma genitalium metabolite
brequinar	[no description available]	low	0	0	biphenyls; monocarboxylic acid; monofluorobenzenes; quinolinemonocarboxylic acid	anticoronaviral agent; antimetabolite; antineoplastic agent; antiviral agent; EC 1.3.5.2 [dihydroorotate dehydrogenase (quinone)] inhibitor; immunosuppressive agent; pyrimidine synthesis inhibitor
eliprodil	[no description available]	low	0	0	monochlorobenzenes; monofluorobenzenes; piperidines; secondary alcohol; tertiary amino compound
flusilazole	[no description available]	low	0	0	conazole fungicide; monofluorobenzenes; organosilicon compound; triazole fungicide; triazoles	antifungal agrochemical; EC 1.14.13.70 (sterol 14alpha-demethylase) inhibitor; environmental contaminant; xenobiotic
foe 5043	[no description available]	low	0	0	aromatic amide; monofluorobenzenes; thiadiazoles	environmental contaminant; herbicide; xenobiotic
flutriafol	[no description available]	low	0	0	monofluorobenzenes; tertiary alcohol; triazoles
flufenoxuron	[no description available]	low	0	0	(trifluoromethyl)benzenes; benzoylurea insecticide; difluorobenzene; monochlorobenzenes; monofluorobenzenes	mite growth regulator
mosapride	[no description available]	low	0	0	aromatic ether; benzamides; monochlorobenzenes; monofluorobenzenes; morpholines; secondary carboxamide; substituted aniline; tertiary amino compound
4-hydroxymidazolam	[no description available]	low	0	0	imidazobenzodiazepine; monofluorobenzenes; organic hydroxy compound; organochlorine compound	drug metabolite; human blood serum metabolite; human urinary metabolite
1-hydroxymethylmidazolam glucuronide	[no description available]	low	0	0	beta-D-glucosiduronic acid; imidazobenzodiazepine; monofluorobenzenes; monosaccharide derivative; organochlorine compound	drug metabolite; human blood serum metabolite; human urinary metabolite
s 23121	[no description available]	low	0	0	aromatic ether; dicarboximide; monochlorobenzenes; monofluorobenzenes; pyrroline; terminal acetylenic compound
sb 203580	[no description available]	low	0	0	imidazoles; monofluorobenzenes; pyridines; sulfoxide	EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor; EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor; geroprotector; Hsp90 inhibitor; neuroprotective agent
N-(3-fluorophenyl)-2-(pyridin-4-yl)quinazolin-4-amine	[no description available]	low	0	0	aromatic amine; monofluorobenzenes; pyridines; quinazolines; secondary amino compound; substituted aniline
1-(4-fluorophenyl)-7-(4-methylphenyl)-5,5-bis(trifluoromethyl)-8H-pyrimido[4,5-d]pyrimidine-2,4-dione	[no description available]	low	0	0	monofluorobenzenes; pyrimidopyrimidine
epoxiconazole	[no description available]	low	0	0	epoxide; monochlorobenzenes; monofluorobenzenes; triazoles
quinoxyfen	[no description available]	low	0	0	aromatic ether; monofluorobenzenes; organochlorine compound; quinolines	antifungal agrochemical
LY-310762	[no description available]	low	0	0	aromatic ketone; monofluorobenzenes; oxindoles; piperidines; tertiary amino compound	receptor modulator; serotonergic antagonist
N-(3-{[2-(2-fluorophenyl)quinazolin-4-yl]amino}phenyl)acetamide	[no description available]	low	0	0	acetamide; aromatic amine; monofluorobenzenes; quinazolines; secondary amino compound; substituted aniline
2-(4-fluoro-3-(trifluoromethyl)phenoxy)-n-(phenylmethyl)butanamide	[no description available]	low	0	0	(trifluoromethyl)benzenes; aromatic ether; monocarboxylic acid amide; monofluorobenzenes
prasugrel	[no description available]	low	0	0	acetate ester; cyclopropanes; ketone; monofluorobenzenes; tertiary amino compound; thienopyridine
pd 0325901	[no description available]	low	0	0	difluorobenzene; hydroxamic acid ester; monofluorobenzenes; organoiodine compound; propane-1,2-diols; secondary amino compound	antineoplastic agent; EC 2.7.12.2 (mitogen-activated protein kinase kinase) inhibitor
scio-469	[no description available]	low	0	0	aromatic amide; aromatic ketone; chloroindole; dicarboxylic acid diamide; indolecarboxamide; monofluorobenzenes; N-acylpiperazine; N-alkylpiperazine	antineoplastic agent; apoptosis inducer; EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor
ly2090314	[no description available]	low	0	0	diazepinoindole; imidazopyridine; maleimides; monofluorobenzenes; piperidinecarboxamide; ureas	antineoplastic agent; apoptosis inducer; EC 2.7.11.26 (tau-protein kinase) inhibitor; Wnt signalling activator
pimavanserin	[no description available]	low	0	0	aromatic ether; monofluorobenzenes; piperidines; tertiary amino compound; ureas	5-hydroxytryptamine 2A receptor inverse agonist; antipsychotic agent; serotonergic antagonist
binimetinib	[no description available]	low	0	0	benzimidazoles; bromobenzenes; hydroxamic acid ester; monofluorobenzenes; secondary amino compound	antineoplastic agent; apoptosis inducer; EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor
regorafenib	[no description available]	low	0	0	(trifluoromethyl)benzenes; aromatic ether; monochlorobenzenes; monofluorobenzenes; phenylureas; pyridinecarboxamide	antineoplastic agent; hepatotoxic agent; tyrosine kinase inhibitor
azd 8931	[no description available]	low	0	0	aromatic ether; monochlorobenzenes; monofluorobenzenes; piperidines; quinazolines; secondary amino compound; tertiary amino compound	EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor; epidermal growth factor receptor antagonist
azd 1152	[no description available]	low	0	0	anilide; monoalkyl phosphate; monofluorobenzenes; pyrazoles; quinazolines; secondary amino compound; secondary carboxamide; tertiary amino compound	antineoplastic agent; Aurora kinase inhibitor; prodrug
pf 00299804	[no description available]	low	0	0	enamide; monochlorobenzenes; monofluorobenzenes; piperidines; quinazolines; secondary amino compound; secondary carboxamide; tertiary amino compound	antineoplastic agent; epidermal growth factor receptor antagonist
MI-63	[no description available]	low	0	0	azaspiro compound; monochlorobenzenes; monofluorobenzenes; morpholines; oxindoles; pyrrolidines; secondary carboxamide	apoptosis inducer
pd 0348292	[no description available]	low	0	0	monochlorobenzenes; monofluorobenzenes; pyridone; pyrrolidines; secondary carboxamide; ureas	anticoagulant; EC 3.4.21.6 (coagulation factor Xa) inhibitor; serine protease inhibitor
4-(3-cyclohexyl-5-(4-fluoro-phenyl)-3h-imidazol-4-yl)pyrimidin-2-ylamine	[no description available]	low	0	0	aminopyrimidine; imidazoles; monofluorobenzenes	EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor
bay 60-4552	[no description available]	low	0	0	aminopyrimidine; carbamate ester; monofluorobenzenes; pyrazolopyridine	antihypertensive agent; drug metabolite; soluble guanylate cyclase activator; vasodilator agent
mdv 3100	[no description available]	low	0	0	(trifluoromethyl)benzenes; benzamides; imidazolidinone; monofluorobenzenes; nitrile; thiocarbonyl compound	androgen antagonist; antineoplastic agent
azd 1152-hqpa	[no description available]	low	0	0	anilide; monofluorobenzenes; primary alcohol; pyrazoles; quinazolines; secondary amino compound; secondary carboxamide; tertiary amino compound	antineoplastic agent; Aurora kinase inhibitor
dafadine B	[no description available]	low	0	0	aromatic amide; aromatic ether; isoxazoles; monochlorobenzenes; monofluorobenzenes; N-acylpiperidine; pyridines	P450 inhibitor
zm323881	[no description available]	low	0	0	aromatic ether; benzyl ether; fluorophenol; halophenol; monofluorobenzenes; organic cation; quinazolines; secondary amino compound; substituted aniline	vascular endothelial growth factor receptor antagonist
olaparib	[no description available]	low	0	0	cyclopropanes; monofluorobenzenes; N-acylpiperazine; phthalazines	antineoplastic agent; apoptosis inducer; EC 2.4.2.30 (NAD(+) ADP-ribosyltransferase) inhibitor
lcl161	[no description available]	low	0	0	1,3-thiazoles; aromatic ketone; L-alanine derivative; monofluorobenzenes; N-acylpyrrolidine	antineoplastic agent; apoptosis inducer
poziotinib	[no description available]	low	0	0	acrylamides; aromatic ether; dichlorobenzene; diether; monofluorobenzenes; N-acylpiperidine; quinazolines; secondary amino compound; substituted aniline	antineoplastic agent; apoptosis inducer; epidermal growth factor receptor antagonist
GDC-0623	[no description available]	low	0	0	hydroxamic acid ester; imidazopyridine; monofluorobenzenes; organoiodine compound; primary alcohol; secondary amino compound; substituted aniline	antineoplastic agent; apoptosis inducer; EC 2.7.12.2 (mitogen-activated protein kinase kinase) inhibitor
ulixacaltamide	[no description available]	low	0	0	benzamides; monochlorobenzenes; monofluorobenzenes; piperidines; secondary carboxamide	non-narcotic analgesic; T-type calcium channel blocker
tak-632	[no description available]	low	0	0	(trifluoromethyl)benzenes; aromatic ether; benzothiazoles; cyclopropylcarboxamide; monofluorobenzenes; nitrile; secondary carboxamide	antineoplastic agent; apoptosis inducer; B-Raf inhibitor; EC 2.7.11.26 (tau-protein kinase) inhibitor; necroptosis inhibitor
raltegravir	[no description available]	low	0	0	1,2,4-oxadiazole; dicarboxylic acid amide; hydroxypyrimidine; monofluorobenzenes; pyrimidone; secondary carboxamide	antiviral drug; HIV-1 integrase inhibitor
ly3009120	[no description available]	low	0	0	aminotoluene; aromatic amine; biaryl; monofluorobenzenes; phenylureas; pyridopyrimidine; secondary amino compound	antineoplastic agent; apoptosis inducer; autophagy inducer; B-Raf inhibitor; necroptosis inhibitor
pf-06463922	[no description available]	low	0	0	aminopyridine; aromatic ether; azamacrocycle; benzamides; cyclic ether; monofluorobenzenes; nitrile; organic heterotetracyclic compound; pyrazoles	antineoplastic agent; EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor
praliciguat	[no description available]	low	0	0	aminopyrimidine; isoxazoles; monofluorobenzenes; organofluorine compound; pyrazoles; secondary amino compound; tertiary alcohol	anti-inflammatory agent; antihypertensive agent; soluble guanylate cyclase activator; vasodilator agent
sotorasib	[no description available]	low	0	0	acrylamides; methylpyridines; monofluorobenzenes; N-acylpiperazine; phenols; pyridopyrimidine; tertiary amino compound; tertiary carboxamide	antineoplastic agent
3-fluoro-Nalpha-(1H-indol-2-ylcarbonyl)-N-{(2S)-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-L-phenylalaninamide	[no description available]	low	0	0	aldehyde; indolecarboxamide; monofluorobenzenes; oligopeptide; pyrrolidin-2-ones; secondary carboxamide	anticoronaviral agent; EC 3.4.22.69 (SARS coronavirus main proteinase) inhibitor

Article	Year
Buprenorphine alters desmethylflunitrazepam disposition and flunitrazepam toxicity in rats. Toxicological sciences : an official journal of the Society of Toxicology, Volume: 106, Issue: 1	2008
Ethyl 8-fluoro-6-(3-nitrophenyl)-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxylate as novel, highly potent, and safe antianxiety agent. Journal of medicinal chemistry, Aug-14, Volume: 51, Issue: 15	2008
Efficacy, safety, and cost effectiveness of intravenous midazolam and flunitrazepam for primary insomnia in terminally ill patients with cancer: a retrospective multicenter audit study. Journal of palliative medicine, Volume: 10, Issue: 5	2007
Acute toxic effects of club drugs. Journal of psychoactive drugs, Volume: 36, Issue: 3	2004
Flunitrazepam: an evaluation of use, abuse and toxicity. Forensic science international, Nov-01, Volume: 122, Issue: 2-3	2001
Single- and repeated-dose local toxicity in the nasal cavity of rabbits after intranasal administration of different glycols for formulations containing benzodiazepines. The Journal of pharmacy and pharmacology, Volume: 51, Issue: 4	1999
Correlations among minimal neurotoxicity, anticonvulsant activity, and displacing potencies in [3H]flunitrazepam binding of benzodiazepines. Epilepsia, Volume: 24, Issue: 6	1983
Intravenous flunitrazepam in the prevention of the side effects of succinylcholine. Israel journal of medical sciences, Volume: 18, Issue: 5	1982
Efficacy and side effects of flunitrazepam and pentobarbital in severely insomniac patients. Journal of clinical pharmacology, Volume: 22, Issue: 1	1982
[Efficacy and safety of the benzodiazepine antagonist RO 15-1788]. Der Anaesthesist, Volume: 37, Issue: 7	1988
Antagonism of flunitrazepam-induced sedative effects by flumazenil in patients after surgery under general anaesthesia. A double-blind placebo-controlled investigation of efficacy and safety. Acta anaesthesiologica Scandinavica, Volume: 32, Issue: 4	1988
Effect of GABA agonists on the neurotoxicity and anticonvulsant activity of benzodiazepines. Life sciences, Feb-25, Volume: 36, Issue: 8	1985
Reduction of psychotomimetic side effects of Ketalar (ketamine) by Rohypnol (flunitrazepam). A randomized, double-blind trial. Acta anaesthesiologica Scandinavica, Volume: 20, Issue: 2	1976
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Sedative-Hypnotic Agents That Impact Gamma-Aminobutyric Acid Receptors: Focus on Flunitrazepam, Gamma-Hydroxybutyric Acid, Phenibut, and Selank. Journal of clinical pharmacology, Volume: 61 Suppl 2	2021
Effect of flunitrazepam as an oral hypnotic on 24-hour blood pressure in healthy volunteers. European journal of clinical pharmacology, Volume: 74, Issue: 8	2018
Effects of acute and chronic administration of neurosteroid dehydroepiandrosterone sulfate on neuronal excitability in mice. Drug design, development and therapy, Volume: 10	2016
Effects of the 5-HT(1A) Receptor Agonist Tandospirone on ACTH-Induced Sleep Disturbance in Rats. Biological & pharmaceutical bulletin, Volume: 38, Issue: 6	2015
Dependence, misuse, and beliefs regarding use of hypnotics by elderly psychiatric patients taking zolpidem, estazolam, or flunitrazepam. Asia-Pacific psychiatry : official journal of the Pacific Rim College of Psychiatrists, Volume: 7, Issue: 3	2015
The effects of zolpidem treatment on GABA(A) receptors in cultured cerebellar granule cells: changes in functional coupling. Life sciences, Jun-14, Volume: 90, Issue: 23-24	2012
Flunitrazepam intake in male offenders. Nordic journal of psychiatry, Volume: 66, Issue: 2	2012
Heightened aggression after chronic flunitrazepam in male rats: potential links to cortical and caudate-putamen-binding sites. Psychopharmacology, Volume: 197, Issue: 2	2008
Effect of chronic administration of ethanol on GABAA receptor assemblies derived from alpha2-, alpha3-, beta2- and gamma2-subunits in the rat cerebral cortex. Brain research, Jan-07, Volume: 1031, Issue: 1	2005
Inhibition by miltirone of up-regulation of GABAA receptor alpha4 subunit mRNA by ethanol withdrawal in hippocampal neurons. European journal of pharmacology, Jun-28, Volume: 494, Issue: 2-3	2004
Long-, intermediate- and short-acting benzodiazepine effects on human sleep EEG spectra. Psychiatry and clinical neurosciences, Volume: 57, Issue: 1	2003
In ovo chronic neurosteroid treatment affects the function and allosteric interactions of GABA(A) receptor modulatory sites. Brain research, May-25, Volume: 902, Issue: 1	2001
Convulsive status epilepticus following abrupt high-dose benzodiazepine discontinuation. Drug and alcohol dependence, Apr-01, Volume: 59, Issue: 1	2000
The effects of substituting zopiclone in withdrawal from chronic use of benzodiazepine hypnotics. Psychopharmacology, Volume: 140, Issue: 4	1998
Anxiolytic and anticonvulsant activity of a synthetic neuroactive steroid Co 3-0593. Psychopharmacology, Volume: 134, Issue: 1	1997
Sequestration of gamma-aminobutyric acidA receptors on clathrin-coated vesicles during chronic benzodiazepine administration in vivo. The Journal of pharmacology and experimental therapeutics, Volume: 283, Issue: 1	1997
Benzodiazepine receptor binding following chronic treatment with naloxone, morphine and met-enkephalin in normal rats. Brain research, May-28, Volume: 612, Issue: 1-2	1993
Effects of Kamikihito, a traditional Chinese medicine, on neurotransmitter receptor binding in the aged rat brain determined by in vitro autoradiography (2): changes in GABAA and benzodiazepine receptor binding. Japanese journal of pharmacology, Volume: 66, Issue: 1	1994
Chronic administration of the antidepressants phenelzine, desipramine, clomipramine, or maprotiline decreases binding to 5-hydroxytryptamine2A receptors without affecting benzodiazepine binding sites in rat brain. Cellular and molecular neurobiology, Volume: 15, Issue: 3	1995
Chronic administration of the GABA-transaminase inhibitor ethanolamine O-sulphate leads to up-regulation of GABA binding sites. Biochemical pharmacology, Feb-01, Volume: 33, Issue: 3	1984
Biochemical and functional alterations of central GABA receptors during chronic estradiol treatment. Brain research, Nov-21, Volume: 279, Issue: 1-2	1983
[Effect of chronic use of antidepressants on the state of benzodiazepine receptors in the mouse brain]. Biulleten' eksperimental'noi biologii i meditsiny, Volume: 96, Issue: 7	1983
Decreased number of benzodiazepine receptors in frontal cortex of rat brain following long-term lithium treatment. Journal of neurochemistry, Volume: 41, Issue: 1	1983
Decreased benzodiazepine receptor density in rat cerebellum following neurotoxic doses of phenytoin. Journal of neurochemistry, Volume: 35, Issue: 6	1980
Flunitrazepam: a review of its pharmacological properties and therapeutic use. Drugs, Volume: 20, Issue: 5	1980
Chronic administration of diazepam downregulates adenosine receptors in the rat brain. Pharmacology, biochemistry, and behavior, Volume: 30, Issue: 2	1988
Superoxide dismutase treatment reduces [3H]flunitrazepam affinity in cortex and hippocampus of the rat. Neuroscience letters, Jul-31, Volume: 102, Issue: 2-3	1989
Effects of picrotoxin treatment on GABAA receptor supramolecular complexes in rat brain. Journal of neurochemistry, Volume: 52, Issue: 4	1989
Benzodiazepines and the mammalian retina. I. Autoradiographic localisation of receptor sites and the lack of effect on the electroretinogram. Brain research, Feb-13, Volume: 479, Issue: 2	1989
Chronic benzodiazepine antagonist treatment and its withdrawal upregulates components of GABA-benzodiazepine receptor ionophore complex in cerebral cortex of rat. Brain research, Jun-11, Volume: 519, Issue: 1-2	1990
Effect of acute and chronic administration of buspirone on serotonin and benzodiazepine receptor subtypes in the rat brain: an autoradiographic study. Neuropharmacology, Volume: 30, Issue: 4	1991
Effects of lorazepam tolerance and withdrawal on GABAA receptor-operated chloride channels. The Journal of pharmacology and experimental therapeutics, Volume: 261, Issue: 2	1992
Dietary choline supplementation increases the density of nicotine binding sites in rat brain. The Journal of pharmacology and experimental therapeutics, Volume: 262, Issue: 3	1992
A controlled long-term study of flunitrazepam, nitrazepam and placebo, with special regard to withdrawal effects. Acta psychiatrica Scandinavica, Volume: 58, Issue: 1	1978
[information is derived through text-mining from research data collected from National Library of Medicine (NLM), extracted Dec-2023]

Article	Year
Rapid Drop-Volume Electrochemical Detection of the "Date Rape" Drug Flunitrazepam in Spirits Using a Screen-Printed Sensor in a Dry-Reagent Format. Sensors (Basel, Switzerland), Sep-11, Volume: 20, Issue: 18	2020
Lab-on-a-screen-printed electrochemical cell for drop-volume voltammetric screening of flunitrazepam in untreated, undiluted alcoholic and soft drinks. Biosensors & bioelectronics, May-01, Volume: 132	2019
Trend analysis of a database of intravenous pharmacokinetic parameters in humans for 670 drug compounds. Drug metabolism and disposition: the biological fate of chemicals, Volume: 36, Issue: 7	2008
Prediction of metabolic clearance using fresh human hepatocytes: comparison with cryopreserved hepatocytes and hepatic microsomes for five benzodiazepines. Xenobiotica; the fate of foreign compounds in biological systems, Volume: 38, Issue: 4	2008
Acute zolpidem administration produces pharmacodynamic and receptor occupancy changes at similar doses. Pharmacology, biochemistry, and behavior, Volume: 83, Issue: 1	2006
Development and validation of a gas chromatography-mass spectrometry method for the simultaneous determination of buprenorphine, flunitrazepam and their metabolites in rat plasma: application to the pharmacokinetic study. Journal of chromatography. B, Analytical technologies in the biomedical and life sciences, Aug-05, Volume: 807, Issue: 2	2004
Pharmacokinetics and tolerance of flunitrazepam in neonates and in infants. Clinical pharmacology and therapeutics, Volume: 66, Issue: 2	1999
Effects of ketoconazole on triazolam pharmacokinetics, pharmacodynamics and benzodiazepine receptor binding in mice. The Journal of pharmacology and experimental therapeutics, Volume: 285, Issue: 1	1998
Midazolam and flunitrazepam: pharmacokinetics and effects on night time respiration and body movements in the elderly. International journal of clinical pharmacology, therapy, and toxicology, Volume: 31, Issue: 4	1993
Pharmacokinetics of cetirizine in 2- to 6-year-old children. International journal of clinical pharmacology and therapeutics, Volume: 33, Issue: 6	1995
A time-dependent volume of distribution term used to describe linear concentration-time profiles. Journal of pharmacokinetics and biopharmaceutics, Volume: 11, Issue: 4	1983
Pharmacokinetics of benzodiazepines: metabolic pathways and plasma level profiles. Current medical research and opinion, Volume: 8 Suppl 4	1984
A pharmacokinetic and pharmacodynamic study of flunitrazepam. International journal of clinical pharmacology, therapy, and toxicology, Volume: 20, Issue: 12	1982
Use of benzodiazepines during pregnancy, labour and lactation, with particular reference to pharmacokinetic considerations. Drugs, Volume: 23, Issue: 5	1982
Effect of age on the pharmacokinetics and sedative of flunitrazepam. International journal of clinical pharmacology, therapy, and toxicology, Volume: 19, Issue: 9	1981
[Clinical pharmacokinetics of flunitrazepam (Nacrozep) in intensive care patient (preliminary results)]. Annales de l'anesthesiologie francaise, Volume: 22, Issue: 2	1981
[Clinical pharmacokinetics of midazolam, flunitrazepam and diazepam (author's transl)]. Anasthesie, Intensivtherapie, Notfallmedizin, Volume: 16, Issue: 3	1981
Pharmacokinetics of flunitrazepam in rats studied by a radioreceptor assay. Pharmacological research communications, Volume: 17, Issue: 8	1985
Flunitrazepam and lormetazepam do not affect the pharmacokinetics of the benzodiazepine antagonist Ro 15-1788. British journal of clinical pharmacology, Volume: 19, Issue: 1	1985
Effect of after-dinner administration on the pharmacokinetics of oral flunitrazepam and loprazolam. Journal of clinical pharmacology, Volume: 28, Issue: 4	1988
Dynamical dosage regimen calculations in linear pharmacokinetics. Computers and biomedical research, an international journal, Volume: 21, Issue: 3	1988
INTRAV and ORAL: BASIC interactive computer programs for estimating pharmacokinetic parameters. Journal of pharmaceutical sciences, Volume: 74, Issue: 2	1985
A new criterion for selection of pharmacokinetic multiexponential equations. Journal of pharmaceutical sciences, Volume: 77, Issue: 9	1988
Comparison of sublingual and oral prazepam in normal subjects. II. Pharmacokinetic and pharmacodynamic data. Neuropsychobiology, Volume: 19, Issue: 4	1988
Drug interactions and clinical pharmacokinetics of flumazenil. European journal of anaesthesiology. Supplement, Volume: 2	1988
Pharmacokinetics of flunitrazepam following single dose oral administration in liver disease patients compared with healthy volunteers. Fundamental & clinical pharmacology, Volume: 4, Issue: 6	1990
Does preoperative anxiety influence gastric fluid volume and acidity? Anesthesia and analgesia, Volume: 75, Issue: 1	1992
Pharmacokinetics of flunitrazepam following single- and multiple-dose oral administration to healthy human subjects. Journal of pharmacokinetics and biopharmaceutics, Volume: 6, Issue: 4	1978
[information is derived through text-mining from research data collected from National Library of Medicine (NLM), extracted Dec-2023]

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[Comparative study of drug efficacy and drug additives between generic drugs and original drugs]. Yakugaku zasshi : Journal of the Pharmaceutical Society of Japan, Volume: 127, Issue: 12	2007
Do subtype-selective gamma-aminobutyric acid A receptor modulators have a reduced propensity to induce physical dependence in mice? The Journal of pharmacology and experimental therapeutics, Volume: 316, Issue: 3	2006
QSAR model for drug human oral bioavailability. Journal of medicinal chemistry, Jun-29, Volume: 43, Issue: 13	2000
Anxiolytic and anticonvulsant activity of a synthetic neuroactive steroid Co 3-0593. Psychopharmacology, Volume: 134, Issue: 1	1997
Midazolam and flunitrazepam: pharmacokinetics and effects on night time respiration and body movements in the elderly. International journal of clinical pharmacology, therapy, and toxicology, Volume: 31, Issue: 4	1993
Pharmacokinetics of flunitrazepam in rats studied by a radioreceptor assay. Pharmacological research communications, Volume: 17, Issue: 8	1985
Peptide derivatives as prodrugs. Biochemical Society transactions, Volume: 14, Issue: 2	1986
Bioavailability from various galenic formulations of flunitrazepam. Arzneimittel-Forschung, Volume: 27, Issue: 12	1977
Determination of flunitrazepam, desmethylflunitrazepam and clonazepam in plasma by gas liquid chromatography with an internal standard. Arzneimittel-Forschung, Volume: 27, Issue: 2	1977
[information is derived through text-mining from research data collected from National Library of Medicine (NLM), extracted Dec-2023]

Article	Year
Prevalence and clinical correlates of flunitrazepam-related complex sleep behaviors. Psychiatry and clinical neurosciences, Volume: 71, Issue: 3	2017
Superadditive effects of ethanol and flunitrazepam: implications of using immunopharmacotherapy as a therapeutic. Molecular pharmaceutics, Dec-06, Volume: 7, Issue: 6	2010
A prospective naturalistic multicentre study of intravenous medications in behavioural emergencies: haloperidol versus flunitrazepam. Psychiatry research, Jun-30, Volume: 178, Issue: 1	2010
Chemical submission: results of 4-year French inquiry. International journal of legal medicine, Volume: 123, Issue: 3	2009
Buprenorphine alters desmethylflunitrazepam disposition and flunitrazepam toxicity in rats. Toxicological sciences : an official journal of the Society of Toxicology, Volume: 106, Issue: 1	2008
Differentiating the discriminative stimulus effects of gamma-hydroxybutyrate and ethanol in a three-choice drug discrimination procedure in rats. Pharmacology, biochemistry, and behavior, Volume: 89, Issue: 4	2008
Modulation of human risky decision making by flunitrazepam. Psychopharmacology, Volume: 196, Issue: 2	2008
[Flunitrazepam and driving ability]. Fortschritte der Neurologie-Psychiatrie, Volume: 72, Issue: 9	2004
Deposition of [3H]cocaine, [3H]nicotine, and [3H]flunitrazepam in mouse hair melanosomes after systemic administration. Drug metabolism and disposition: the biological fate of chemicals, Volume: 27, Issue: 6	1999
[Gamma-hydroxybutyrate for treatment of alcohol withdrawal syndrome in intensive care patients. A comparison between with two symptom-oriented therapeutic concepts]. Der Anaesthesist, Volume: 48, Issue: 2	1999
Long-term changes in brain following continuous phencyclidine administration: an autoradiographic study using flunitrazepam, ketanserin, mazindol, quinuclidinyl benzilate, piperidyl-3,4-3H(N)-TCP, and AMPA receptor ligands. Pharmacology & toxicology, Volume: 84, Issue: 1	1999
Impairment of memory and plasma flunitrazepam levels. Psychopharmacology, Volume: 140, Issue: 2	1998
Anxiogenic-like effects of Tagetes minuta L essential oil on T-maze and tonic immobility behaviour in domestic chicks. Fundamental & clinical pharmacology, Volume: 12, Issue: 4	1998
Dentate gyrus basket cell GABAA receptors are blocked by Zn2+ via changes of their desensitization kinetics: an in situ patch-clamp and single-cell PCR study. The Journal of neuroscience : the official journal of the Society for Neuroscience, Apr-01, Volume: 18, Issue: 7	1998
Rohypnol ("roofies") control of drug discrimination: effect of coadministered ethanol or flumenazil. Pharmacology, biochemistry, and behavior, Volume: 59, Issue: 1	1998
Development of tolerance in mice to the sedative effects of the neuroactive steroid minaxolone following chronic exposure. Pharmacology, biochemistry, and behavior, Volume: 58, Issue: 1	1997
GABAA receptor binding in the aging rat inferior colliculus. Neuroscience, Volume: 73, Issue: 2	1996
Loreclezole modulates [35S]t-butylbicyclophosphorothionate and [3H]flunitrazepam binding via a distinct site on the GABAA receptor complex. European journal of pharmacology, Apr-04, Volume: 300, Issue: 1-2	1996
[Oral premedication with clorazepate dipotassium. Comparison with oral premedication with flunitrazepam and intramuscular premedication with promethazine, pethidine and atropine in adults]. Der Anaesthesist, Volume: 42, 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
Amnesic effects and subjective ratings during repeated dosing of flunitrazepam to healthy volunteers. European journal of clinical pharmacology, Volume: 45, Issue: 3	1993
Midlatency auditory evoked potentials and explicit and implicit memory in patients undergoing cardiac surgery. Anesthesiology, Volume: 80, Issue: 3	1994
[Effect of sedation on otoacoustic emissions]. Laryngo- rhino- otologie, Volume: 73, Issue: 6	1994
Characterization of the GABA-induced current in frog pituitary melanotrophs. Journal of neuroendocrinology, Volume: 6, Issue: 1	1994
A system for testing the development and reversal of anticonvulsant tolerance to benzodiazepines in mice. Epilepsy research, Volume: 16, Issue: 1	1993
Modulation by extracellular pH of the activity of GABAA receptors on rat cerebellum granule cells. Neuroscience, Volume: 61, Issue: 4	1994
Lindane administration to the rat induces modifications in the regional cerebral binding of [3H]Muscimol, [3H]-flunitrazepam, and t-[35S]butylbicyclophosphorothionate: an autoradiographic study. Journal of neurochemistry, Volume: 60, Issue: 5	1993
Apigenin, a component of Matricaria recutita flowers, is a central benzodiazepine receptors-ligand with anxiolytic effects. Planta medica, Volume: 61, Issue: 3	1995
Pharmacokinetics of cetirizine in 2- to 6-year-old children. International journal of clinical pharmacology and therapeutics, Volume: 33, Issue: 6	1995
NMDA-mediated modulation of gamma-aminobutyric acid type A receptor function in cerebellar granule neurons. The Journal of neuroscience : the official journal of the Society for Neuroscience, Volume: 15, Issue: 11	1995
Application of radioreceptor assay of benzodiazepines for toxicology. Acta pharmacologica et toxicologica, Volume: 50, Issue: 3	1982
A new method for the evaluation of benzodiazepines based on their ability to block muscimol-induced myoclonic jerks in mice. Psychopharmacology, Volume: 75, Issue: 3	1981
[Hyperbaric spinal anesthesia with 0.5 percent bupivacaine in traumatological and orthopedic surgery]. Cahiers d'anesthesiologie, Volume: 32, Issue: 8	1984
[High-dose thalamonal-rohypnol for premedication. A randomized double-blind study]. Der Anaesthesist, Volume: 33, Issue: 10	1984
Modern trends in the investigation of new hypnotics in anaesthesia. Psychopharmacology. Supplementum, Volume: 1	1984
Efficacy and tolerance of zopiclone in insomniac geriatric patients. Pharmacology, Volume: 27 Suppl 2	1983
Multiple embryonic benzodiazepine binding sites: evidence for functionality. Life sciences, Nov-21, Volume: 33, Issue: 21	1983
Effects of agents which enhance GABA-mediated neurotransmission on licking conflict in rats and exploration in mice. European journal of pharmacology, Sep-10, Volume: 83, Issue: 1-2	1982
Pharmacokinetics of benzodiazepines: metabolic pathways and plasma level profiles. Current medical research and opinion, Volume: 8 Suppl 4	1984
Highly specific and sensitive method for the determination of flunitrazepam in plasma by electron capture gas-liquid chromatography. Arzneimittel-Forschung, Volume: 32, Issue: 3	1982
Triazolam (Halcion) versus flunitrazepam (Rohypnol) against midwinter insomnia in Northern Norway. Acta psychiatrica Scandinavica, Volume: 64, Issue: 3	1981
[Clinical pharmacokinetics of midazolam, flunitrazepam and diazepam (author's transl)]. Anasthesie, Intensivtherapie, Notfallmedizin, Volume: 16, Issue: 3	1981
[Intraoperative cardiac arrest and postoperative coma secondary to flunitrazepam (Rohypnol) (author's transl)]. Anasthesie, Intensivtherapie, Notfallmedizin, Volume: 15, Issue: 5	1980
Flunitrazepam: a review of its pharmacological properties and therapeutic use. Drugs, Volume: 20, Issue: 5	1980
Total intravenous anaesthesia: a technique using flunitrazepam, ketamine, muscle relaxants and controlled ventilation of the lung. Anaesthesia, Volume: 35, Issue: 3	1980
Decreased convulsant potency of picrotoxin and pentetrazol and enhanced [3H]flunitrazepam cortical binding following stressful manipulations in rats. Brain research, May-12, Volume: 189, Issue: 2	1980
Flunitrazepam and lormetazepam do not affect the pharmacokinetics of the benzodiazepine antagonist Ro 15-1788. British journal of clinical pharmacology, Volume: 19, Issue: 1	1985
A useful tool for predicting the clinical effects of hypnotics in humans: averaged photopalpebral reflex. Methods and findings in experimental and clinical pharmacology, Volume: 8, Issue: 5	1986
Effect of increasing amounts of epinephrine during isobaric bupivacaine spinal anesthesia in elderly patients. Anesthesia and analgesia, Volume: 66, Issue: 9	1987
[Ketamine/flunitrazepam--an alternative intravenous anesthesia]. Der Anaesthesist, Volume: 35, Issue: 10	1986
Dynamical dosage regimen calculations in linear pharmacokinetics. Computers and biomedical research, an international journal, Volume: 21, Issue: 3	1988
[Extracorporeal shockwave lithotripsy in sedation-analgesia]. Der Urologe. Ausg. A, Volume: 27, Issue: 2	1988
[Efficacy and safety of the benzodiazepine antagonist RO 15-1788]. Der Anaesthesist, Volume: 37, Issue: 7	1988
[Effect of lormetazepam, triazolam and flunitrazepam on rapid eye movements, K-complexes and sleep spindles in normal probands]. EEG-EMG Zeitschrift fur Elektroenzephalographie, Elektromyographie und verwandte Gebiete, Volume: 18, Issue: 2	1987
[Effectiveness of the benzodiazepine antagonist Ro 15-1788 following anesthesia induced by flunitrazepam]. Anasthesie, Intensivtherapie, Notfallmedizin, Volume: 21, Issue: 6	1986
Diazepam, flunitrazepam and midazolam for elective endoscopy--a comparative study. Middle East journal of anaesthesiology, Volume: 9, Issue: 6	1988
gamma-Aminobutyric acid receptor-regulated 36Cl- flux in mouse cortical slices. The Journal of pharmacology and experimental therapeutics, Volume: 241, Issue: 2	1987
In vivo [3H]flunitrazepam binding: imaging of receptor regulation. The Journal of pharmacology and experimental therapeutics, Volume: 238, Issue: 2	1986
Diurnal variations of benzodiazepine binding in rat cerebral cortex: disruption by pinealectomy. Journal of pineal research, Volume: 3, Issue: 2	1986
3H-dopamine uptake and 3H-haloperidol binding in striatum after administration of methyl mercury to rats. Archives of toxicology, Volume: 57, Issue: 4	1985
Benzodiazepine receptor photoaffinity labeling: correlation of function with binding. European journal of pharmacology, Apr-02, Volume: 110, Issue: 2	1985
Anterograde and retrograde amnesia after lormetazepam and flunitrazepam. Psychopharmacology series, Volume: 6	1988
Saccadic eye movements as a measure of residual effects: temazepam compared with other hypnotics. Acta psychiatrica Scandinavica. Supplementum, Volume: 332	1986
Benzodiazepine antagonist Ro 15-1788 in self-poisoning. Diagnostic and therapeutic use. Archives of internal medicine, Volume: 145, Issue: 4	1985
Benzodiazepine interactions with GABAA receptors on chick ciliary ganglion neurons. Molecular pharmacology, Volume: 34, Issue: 2	1988
Clinical pharmacology of flumazenil. European journal of anaesthesiology. Supplement, Volume: 2	1988
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
Daytime wakefulness following a bedtime oral dose of zolpidem 20 mg, flunitrazepam 2 mg and placebo. British journal of clinical pharmacology, Volume: 30, Issue: 3	1990
Inter- and intraindividual variability in the concentration-effect (sedation) relationship of flunitrazepam. British journal of clinical pharmacology, Volume: 31, Issue: 1	1991
[Beta activation following the intravenous administration of benzodiazepines and the specific antagonist flumazenil (Ro 15-1788)]. EEG-EMG Zeitschrift fur Elektroenzephalographie, Elektromyographie und verwandte Gebiete, Volume: 21, Issue: 1	1990
A comparison of the physical dependence inducing properties of flunitrazepam and diazepam. Pharmacology, biochemistry, and behavior, Volume: 39, Issue: 2	1991
Binding of benzodiazepines and some major metabolites at their sites in normal human frontal cortex in vitro. The Journal of pharmacology and experimental therapeutics, Volume: 256, Issue: 3	1991
High-dose flunitrazepam anesthesia. Medical hypotheses, Volume: 38, Issue: 4	1992
Effect of kainic acid administration to prepubescent rats on cholinergic markers in selected brain regions of adult rats. Neurochemistry international, Volume: 21, Issue: 3	1992
[Action of central depressants on the nitrous oxide anesthesia (author's transl)]. Der Anaesthesist, Volume: 24, Issue: 6	1975
Increased specific binding of [3H]diazepam in rat brain following chronic diazepam administration. Cell biology international reports, Volume: 3, Issue: 2	1979
[Anaesthesia with flunitrazepam (rohypnol) and fentanyl for geriatric patients (author's transl)]. Der Anaesthesist, Volume: 26, Issue: 4	1977
Intravenous flunitrazepam as an anesthetic induction agent. Anaesthesia and intensive care, Volume: 4, Issue: 4	1976
Reduction of psychotomimetic side effects of Ketalar (ketamine) by Rohypnol (flunitrazepam). A randomized, double-blind trial. Acta anaesthesiologica Scandinavica, Volume: 20, Issue: 2	1976
[information is derived through text-mining from research data collected from National Library of Medicine (NLM), extracted Dec-2023]

flunitrazepam

Description

Cross-References

Synonyms (89)

Research Excerpts

Overview

Effects

Actions

Treatment

Roles (3)

Drug Classes (3)

Pathways (1)

Protein Targets (35)

Inhibition Measurements

Activation Measurements

Biological Processes (63)

Molecular Functions (20)

Ceullar Components (36)

Bioassays (93)

Research

Studies (2,557)

Study Types

Research Highlights

Safety/Toxicity (13)

Long-term Use (36)

Pharmacokinetics (29)

Bioavailability (9)

Dosage (84)

Interactions (5)

Article	Year
Nanoparticle-assisted MALDI-TOF MS combined with seed-layer surface preparation for quantification of small molecules. Analytica chimica acta, Jul-04, Volume: 697, Issue: 1-2	2011
UDP-glucuronosyltransferases and clinical drug-drug interactions. Pharmacology & therapeutics, Volume: 106, Issue: 1	2005
Flunitrazepam (Rohypnol) abuse in combination with alcohol causes premeditated, grievous violence in male juvenile offenders. The journal of the American Academy of Psychiatry and the Law, Volume: 27, Issue: 1	1999
Anaesthesia for coronary artery bypass grafting: opioid-analgesia combined with either flunitrazepam, propofol or isoflurane. Acta anaesthesiologica Scandinavica, Volume: 37, Issue: 6	1993
Drug interactions and clinical pharmacokinetics of flumazenil. European journal of anaesthesiology. Supplement, Volume: 2	1988
[information is derived through text-mining from research data collected from National Library of Medicine (NLM), extracted Dec-2023]

flunitrazepam

Description

Cross-References

Synonyms (89)

Research Excerpts

Overview

Effects

Actions

Treatment

Roles (3)

Drug Classes (3)

Pathways (1)

Protein Targets (35)

Inhibition Measurements

Activation Measurements

Biological Processes (63)

Molecular Functions (20)

Ceullar Components (36)

Bioassays (93)

Research

Studies (2,557)

Study Types

Related Drugs (2,318)

Related Conditions (1,844)

Research Highlights

Safety/Toxicity (13)

Long-term Use (36)

Pharmacokinetics (29)

Bioavailability (9)

Dosage (84)

Interactions (5)