rotenone profile

Derris: A plant genus of the family FABACEAE. The root is a source of rotenoids (ROTENONE) and flavonoids. Some species of Pongamia have been reclassified to this genus and some to MILLETTIA. Some species of Deguelia have been reclassified to this genus. [Medical Subject Headings (MeSH), National Library of Medicine, extracted Dec-2023]

rotenoid : Members of the class of tetrahydrochromenochromene that consists of a cis-fused tetrahydrochromeno[3,4-b]chromene skeleton and its substituted derivatives. The term was originally restricted to natural products, but is now also used to describe semi-synthetic and fully synthetic compounds. [Chemical Entities of Biological Interest (ChEBI), Hastings J, Owen G, Dekker A, Ennis M, Kale N, Muthukrishnan V, Turner S, Swainston N, Mendes P, Steinbeck C. (2016). ChEBI in 2016: Improved services and an expanding collection of metabolites. Nucleic Acids Res]

Related Flora

Pathways (6)

rotenone is involved in 6 pathway(s), involving a total of 118 unique proteins and 86 unique compounds

Flora	Rank	Flora Definition	Family	Family Definition
Derris	genus	A plant genus of the family FABACEAE. The root is a source of rotenoids (ROTENONE) and flavonoids. Some species of Pongamia have been reclassified to this genus and some to MILLETTIA. Some species of Deguelia have been reclassified to this genus.[MeSH]	Fabaceae	The large family of plants characterized by pods. Some are edible and some cause LATHYRISM or FAVISM and other forms of poisoning. Other species yield useful materials like gums from ACACIA and various LECTINS like PHYTOHEMAGGLUTININS from PHASEOLUS. Many of them harbor NITROGEN FIXATION bacteria on their roots. Many but not all species of beans belong to this family.[MeSH]

ID Source	ID
PubMed CID	6758
CHEMBL ID	429023
CHEBI ID	28201
SCHEMBL ID	42253
MeSH ID	M0019281

Synonym
curex flea duster
derrin
rotefour
cube
(-)-rotenone
derris resins
nsc8505
nsc-8505
ro-ko
nicouline
(1)benzopyrano[3,3-h](1)benzopyran-6(6ah)-one, 1,2,12,12a-tetrahydro-2-.alpha.-iospropenyl-8,9-dimethoxy-
nci-c55210
ronone
cenol garden dust
rotocide
rotefive
rotessenol
haiari
deril
dactinol
[1]benzopyrano[3,3-h][1]benzopyran-6(6ah)-one, 1,2,12,12a-tetrahydro-8,9-dimethoxy-2-(1-methylethenyl)-, [2r-(2.alpha.,6a.alpha.,12a.alpha.)]-
paraderil
green cross warble powder
5'.beta.-rotenone
chem-mite
ent 133
mexide
cubor
wln: t g5 d6 b666 cv ho mo pot&tt&j iy1&u1 so1 to1
extrax
cube-pulver
rotenon
[1]benzopyrano[3,3-h][1]benzopyran-6(6a.alpha.h)-one, 1,2,12,12a.alpha.-tetrahydro-2.alpha.-isopropenyl-8,9-dimethoxy-
barbasco
liquid derris
tubatoxin
derris
NSC26258 ,
mls000738056 ,
[1]benzopyrano[3,3-h][1]benzopyran-6(6ah)-one, 1,2,12,12a-tetrahydro-2-isopropenyl-8,9-dimethoxy-
[1]benzopyrano[3,3-h][1]benzopyran-6(6ah)-one, 1,2,12,12a-tetrahydro-2-.alpha.-isopropenyl-8,9-dimethoxy-
nsc-26258
DIVK1C_000947
KBIO1_000947
NCI60_002093
SDCCGMLS-0066415.P001
noxfire
[2r-(2alpha,6aalpha,12aalpha)]-1,2,12,12a-tetrahydro-8,9-dimethoxy-2-(1-methylethenyl)[1]benzopyrano[3,4-b]furo[2,3-h][1]benzopyran-6(6ah)-one
(2r,6as,12as)-8,9-dimethoxy-2-(prop-1-en-2-yl)-1,2,12,12a-tetrahydrochromeno[3,4-b]furo[2,3-h]chromen-6(6ah)-one
CHEBI:28201 ,
(12as,6as,2r)-8,9-dimethoxy-2-(1-methylvinyl)-1,2-dihydrochromano[3,4-b]furano [2,3-h]chroman-6-one
5'beta-rotenone
(2r,6as,12as)-2-isopropenyl-8,9-dimethoxy-1,2,12,12a-tetrahydrochromeno[3,4-b]furo[2,3-h]chromen-6(6ah)-one
EU-0101112
rotenone, >=95%
c23h22o6
SPECTRUM4_001638
SPECTRUM_000065
inhibits nadh2 oxidation to nad
PRESTWICK_542
tnp00301
NCGC00017358-01
BSPBIO_001896
LOPAC0_001112
IDI1_000947
rotenone, dehydro
(-)-cis-rotenone
derris (insecticide)
dri-kil
[1]benzopyrano[3,4-b]furo[2,3-h][1]benzopyran-6(6ah)-one, 1,2,12,12a-tetrahydro-8,9-dimethoxy-2-(1-methylethenyl)-, (2r,6as,12as)-
rotenox
tubatoxin 1,2,12,12a,-tetrahydro-8,9-dimethoxy-2-(1-methylethenyl)-[1]benzopyrano[3,4-b]furo[2,3-h][1]-benzopyran-6(6ah)-one
5'b-rotenone
isopropenyl(dimethoxy)[?]one
rotenoid
[1]benzopyrano[3,4-b]furo[2,3-h][1]benzopyran-6(6ah)-one, 1,2,12,12a-tetrahydro-8,9-dimethoxy-2-(1-methylethenyl)-, (2r,6as,12as)- (9ci)
rotocide e.c.
canex
hsdb 1762
epa pesticide chemical code 071003
1,2,12,12a-tetrahydro-8,9-dimethoxy-2-(1-methylethenyl)-(1)benzopyrano(3,4-b)furo(2,3-h)(1)benzopyran-6(6ah)-one
(2r-(2alpha,6aalpha,12aalpha))-1,2,12,12a-tetrahydro-8,9-dimethoxy-2-(1-methylethenyl)(1)benzopyrano(3,4-b)furo(2,3-h)benzopyran-6(6ah)-one
synpren
[1]benzopyrano[3,4-b]furo[2,3-h][1]benzopyran-6(6aalphah)-one, 1,2,12,12aalpha-tetrahydro-2alpha-isopropenyl-8,9-dimethoxy- (8ci)
rotenone, commercial
ccris 895
(1)benzopyrano(3,4-b)furo(2,3-h)(1)benzopyran-6(6ah)-one, 1,2,12,12a-tetrahydro-2-alpha-isopropenyl-8,9-dimethoxy-
[1]benzopyrano[3,4-b]furo[2,3-h][1]benzopyran-6(6ah)-one, 1,2,12,12a-tetrahydro-8,9-dimethoxy-2-(1-methylethenyl)-, [2r-(2alpha,6aalpha,12aalpha)]-
gerane
foliafume e.c.
rotenox 5ec
5'-beta-rotenone
protax
1,2,12,12aalpha-tetrahydro-2a-isopropenyl-8,9-dimethoxy(1)benzopyrano(3,4-b)furo(2,3-h)(1)benzopyran-6(6ah)-one
prentox
pb-nox
ai3-00133
caswell no. 725
rotenone (7ci)
(2r-(6aalpha,12aalpha)-1,2-dihydro-2-isopropenyl-8,9-dimethoxychromano(3,4-b)furo(2,3-h)chroman-6-one
(2r,6as,12as)-1,2,6,6a,12,12a-hexahydro-2-isopropenyl-8,9-dimethoxychromeno[3,4-b]furo[2,3-h]chromen-6-one
nekoe
tubotoxin
rotenona [spanish]
rotenone [bsi:iso]
einecs 201-501-9
(2r-(6aalpha,12aalpha)-1,2-dihydro-2-isopropenyl-8,9-dimethoxychromano(3,4-b)furo(2,3-h)chroman-6-on
nsc 26258
(1)benzopyrano(3,4-b)furo(2,3-h)(1)benzopyran-6(6ah)-one, 1,2,12,12a-tetrahydro-8,9-dimethoxy-2-(1-methylethenyl)-, (2r,6as,12as)-
(1)benzopyrano(3,4-b)furo(2,3-h)(1)benzopyran-6(6ah)-one, 1,2,12,12a-tetrahydro-8,9-dimethoxy-2-(1-methylethenyl)-, (2r-(2alpha,6aalpha,12aalpha))-
(2r,6as,12as)-1,2,6,6a,12,12a-hexahydro-2-isopropenyl-8,9-dimethoxychromeno(3,4-b)furo(2,3-h)chromen-6-one
83-79-4
C07593
rotenone ,
smr000393729
NCGC00094382-04
NCGC00094382-02
KBIO2_003033
KBIO2_000465
KBIO3_001116
KBIO2_005601
KBIOGR_002075
KBIOSS_000465
SPECTRUM2_000457
NINDS_000947
SPBIO_000534
SPECTRUM3_000158
SPECTRUM200013
SPECTRUM5_000455
NCGC00094382-03
NCGC00094382-05
NCGC00094382-01
roteonone
NCGC00017358-02
R 8875
NCGC00017358-07
5''beta-rotenone
bdbm50135527
CHEMBL429023 ,
HMS502P09
LMPK12060007
(2r,6as,12as)-1,2,6,6a,12,12a- hexahydro-2-isopropenyl-8,9- dimethoxychromeno[3,4-b] furo(2,3-h)chromen-6-one
NCGC00017358-05
AKOS004910398
HMS3263O06
R0090
NCGC00254603-01
NCGC00259453-01
tox21_300695
tox21_201904
tox21_110819
cas-83-79-4
dtxsid6021248 ,
dtxcid901248
CCG-39886
NCGC00017358-06
NCGC00017358-10
NCGC00017358-03
NCGC00017358-09
NCGC00017358-04
NCGC00017358-11
NCGC00017358-08
rotenona
unii-03l9ot429t
rotacide e.c.
03l9ot429t ,
NCGC00017358-14
LP01112
BRD-K08316444-001-01-9
JUVIOZPCNVVQFO-HBGVWJBISA-N
rotenone [mart.]
rotenone [iso]
rotenone [hsdb]
rotenone [mi]
(2r,6as,12as)-1,2,12,12a-tetrahydro-8,9-dimethoxy-2-(1-methylethenyl)(1)benzopyrano(3,4-b)furo(2,3-h)(1)benzopyran-6(6ah)-one
rotenone [green book]
SCHEMBL42253
NCGC00017358-15
tox21_110819_1
NCGC00261797-01
tox21_501112
W-104134
(2r,6as,12as)-1,2,12,12a-tetrahydro-8,9-dimethoxy-2-(1-methylethenyl)-[1]benzopyrano[3,4-b]furo[2,3-h][1]benzopyran-6(6ah)-one
AC-31290
CS-6067
HY-B1756
sr-01000076110
SR-01000076110-2
rotenone, pestanal(r), analytical standard
1,2,12,12a-tetrahydro-8,9-dimethoxy-2-(1-methylethenyl)-[1]benzopyrano[3,4-b]furo[2,3-h][1]benzopyran-6(6ah)-one, 9ci
derris, jmaf
SR-01000076110-6
SR-01000076110-5
DB11457
BCP07278
Q412388
(1s,6r,13s)-16,17-dimethoxy-6-prop-1-en-2-yl-2,7,20-trioxapentacyclo[11.8.0.03,11.04,8.014,19]henicosa-3(11),4(8),9,14,16,18-hexaen-12-one
AS-10183
BRD-K08316444-001-05-0
SDCCGSBI-0051081.P003
NCGC00017358-22
(2r,6as,12as)-8,9-dimethoxy-2-(prop-1-en-2-yl)-1,2,12,12a-tetrahydrofuro[2',3':7,8][1]benzopyrano[2,3-c][1]benzopyran-6(6ah)-one
HB5398
rotenone 100 microg/ml in acetonitrile

Excerpt	Reference
"Rotenone is a neurotoxin that is used to induce experimental PD model."	( Alturfan, AA; Cansız, D; Emekli-Alturfan, E; Sürmen, MG; Sürmen, S; Ünal, İ; Üstündağ, ÜV, 2021)
"Rotenone is a pesticide commonly used to eradicate Northern Pike (Esox lucius), an invasive species, in Southcentral Alaska. "	( Bozzini, J; Briggs, BR; Couture, JM; Dunker, K; Massengill, R; Redman, ZC; Tomco, PL, 2022)
"Rotenone is a neurotoxic pesticide widely used in agriculture. "	( Guo, Z; Hou, L; Liu, X; Ruan, Z; Wang, Q; Zhang, D, 2022)
"Rotenone is a neurotoxin that can pass the blood-brain barrier and is used to generate PD models in experimental animals."	( Alturfan, AA; Beler, M; Cansız, D; Emekli-Alturfan, E; Kara Subaşat, H; Karagöz, A; Mega Tiber, P; Ünal, İ; Üstündağ, FD; Üstündağ, ÜV, 2022)
"Rotenone is a commercial pesticide commonly used to model Parkinson's disease (PD) due to its ability to induce dopaminergic degeneration. "	( Broome, ST; Castorina, A; Musumeci, G, 2022)
"Rotenone (ROT) is a widely used natural pesticide, and its effect on growth and developmental toxicity remain unclear. "	( Anandhi, DU; Bawani, SS; Kumar, PP; Prashanth, KVH, 2022)
"Rotenone is an organic pesticide and potent inhibitor of complex I of electron transport chain widely used to develop the PD model."	( Biswas, P; Hasan, W; Jain, J; Jat, D; Yadav, RS, 2022)
"Rotenone is a neurotoxin commonly used in creating PD models."	( Ablat, N; Ablimit, M; Han, H; Liu, R; Pu, X; Sun, Y; Xu, F; Zhao, X, 2022)
"Rotenone is a botanical pesticide and has long been used for control of insect pests and also as a natural piscicide for management of fish populations in many countries. "	( Chen, J; Hou, R; Huang, S; Li, C; Song, Z; Tan, Y; Wang, R; Wang, S; Wang, Y; Yang, L; Zhang, N; Zhang, Z, 2023)
"Rotenone is a commonly used insecticidal chemical in agriculture and it is an inhibitor of mitochondrial complex Ⅰ. "	( Cui, XS; Guo, J; Heo, G; Jiang, WJ; Lee, SH; Li, XH; Sun, MH; Zhou, D, 2022)
"Rotenone (ROT) is a naturally derived pesticide and a well-known environmental neurotoxin associated with induction of Parkinson's disease (PD). "	( Azimullah, S; Beiram, R; Eddin, LB; Jha, NK; Nagoor Meeran, MF; Ojha, S, 2023)
"Rotenone is a widely used organic pesticide that induces neurotoxicity via inhibition of mitochondrial complex I and oxidative stress actions for the most of dopaminergic neurons as that occurring in Parkinsonism disease (PD). "	( Anguchamy, V; Muthuvel, A, 2023)
"Rotenone is an organic pesticide used to prepare Parkinson's disease models."	( Biswas, P; Hasan, W; Jain, J; Jat, D; Yadav, RS, 2023)
"Rotenone is a non-systemic botanical insecticide that is easily degraded in the environment."	( Chen, X; Cui, J; Fan, T; Meng, Z; Shen, D; Wu, Q; Xu, W; Zhao, M, 2023)
"Rotenone is an extensively applied neurotoxic pesticide that possesses insecticidal activities against a wide range of pests."	( Chen, H; Chen, J; Liu, H; Liu, S; Liu, Y; Ma, J; Meng, L; Mu, X; Ouyang, X; Yong, Q; Zhai, Y; Zheng, H; Zheng, L, 2024)
"Rotenone is a pesticide commonly used on farms and was shown to have anti-cancer activity and delay fibrosis progression in chronic kidney disease in a recent study."	( Bai, N; Li, G; Li, J; Li, L; Li, T; Li, W; Liu, G; Yang, J; Yang, W; Zhan, C; Zhao, H; Zheng, M, 2020)
"Rotenone is a neurotoxin that selectively destroys dopaminergic neurons, leading to PD-like symptoms."	( Raj, K; Sharma, S; Singh, S, 2020)
"Rotenone is a mitochondrial complex I inhibitor, which can cause the death of dopaminergic (DA) neurons and Parkinson's disease (PD). "	( Chen, AD; Jing, YH; Wang, DX; Wang, QJ; Xin, YY; Yin, J, 2020)
"Rotenone is a widely used organic pesticide; its serious side effect for off-target species is neurotoxicity. "	( Karimi, G; Najafi, N; Wallace Hayes, A; Yarmohammadi, F, 2020)
"Rotenone is an insecticide that generates oxidative stress in the CNS and induces locomotor dysfunction and neurodegeneration in rodents. "	( Abd El-Fadeal, NM; Abdelbasset, WK; El-Abaseri, TB; El-Saber Batiha, G; El-Sherbeeny, NA; Hashish, AA; Soliman, N; Youssef, AM; Zaitone, SA, 2020)
"Rotenone is an industrial and environmental toxicant that has been strongly associated with neurodegeneration. "	( Avci, B; Bilge, SS; Çelik, ZB; Günaydin, C; Kara, N, 2021)
"Rotenone (ROT) is a specific inhibitor of mitochondrial complex I in the brain which leads to the generation of oxidative stress."	( Cielecka-Piontek, J; Ewertowska, M; Ignatowicz, E; Jodynis-Liebert, J; Kujawska, M; Kurpik, M; Zalewski, P, 2021)
"Rotenone is a naturally occurring toxin that inhibits complex I of the mitochondrial electron transport chain. "	( Hickey, MA; Innos, J, 2021)
"Rotenone is a mitochondrial inhibitor, influencing the neuronal electrophysiological activity through activation of K-ATP channels that potentially participate in cell death processes."	( Du, X; Jiang, H; Jiao, Q; Shi, L; Zhang, Z, 2017)
"Rotenone is a naturally occurring metabolic toxin employed as an insecticide and piscicide identified as a risk factor for the development of PD in agricultural workers."	( Berwin, BL; Havrda, MC; Martinez, EM; Patankar, YR; von Herrmann, KM; Wang, L; Weier, JM; Young, AL, 2017)
"Rotenone (ROT) is a common pesticide that induces oxidative stress."	( Charkhat Gorgich, EA; Khajavi, O; Komeili, G; Salimi, S; Sarbishegi, M, 2018)
"Rotenone is a common pesticide and has been reported as one of the risk factors for Parkinson disease. "	( Ding, Z; Dong, X; Fan, W; Gao, Q; Hu, T; Hu, Y; Li, G; Li, Y; Liu, H; Liu, T; Liu, Z; Sun, J; Wang, H; Xie, C; Yu, Y; Zhang, J; Zhu, S, 2018)
"Rotenone is a frequently used neurotoxin in developing a PD model to aid in understanding the mechanisms of neuronal death."	( Andrabi, SS; Parveen, S; Parvez, S; Rasheed, MZ; Salman, M; Shaquiquzzaman, M; Tabassum, H, 2018)
"Rotenone is a neurotoxin that is an active component of many pesticides which has been shown to induce Parkinsonism in animal models. "	( Fortalezas, S; Gutierrez-Merino, C; Marques-da-Silva, D, 2018)
"Rotenone is a pesticide that selectively kills dopaminergic neurons by a variety of mechanism, has been implicated in PD."	( Inmozhi Sivakamasundari, R; Rekha, KR, 2018)
"Rotenone is a commonly used pesticide that inhibits complex I of the mitochondrial electron transport system. "	( Alturfan, AA; Ateş, PS; Eğilmezer, G; Emekli-Alturfan, E; Ünal, İ; Üstündağ, ÜV; Yiğitbaşı, T, 2019)
"Rotenone is a pesticide commonly used for inducing experimental Parkinson's disease (PD) due to complex I inhibition and microglia activating properties."	( Ahmed, E; Alshareef, DM; El-Kherbetawy, MK; ElSayed, MH; Elsherbiny, NM; Mehanna, ET; Moustafa, YM; Zaitone, SA, 2019)
"Rotenone is a pesticide that has been shown to induce the pathological symptoms of Parkinson's disease (PD) in both cellular and animal models. "	( Prabu, K; Rajasankar, S; Ramkumar, M; Swaminathan Johnson, WM; Venkatesh Gobi, V, 2019)
"Rotenone is an environmental neurotoxin that induces degeneration of dopaminergic neurons and the most common features of Parkinson's disease in animal models. "	( Avellini, L; Buratta, S; Caputo, M; Chiaradia, E; Costanzi, E; Emiliani, C; Gambelunghe, A; Muzi, G; Renzone, G; Scaloni, A, 2019)
"Rotenone is a well-known inducer of oxidative stress which leads to a cellular redox imbalance."	( Akhtar, F; Chaudhary, A; Rizvi, SI; Singh, AK; Tripathi, SS, 2021)
"Rotenone is an inhibitor of mitochondrial complex I-induced neurotoxicity in PC12 cells and has been widely studied to elucidate the pathogenesis of Parkinson's disease. "	( Chae, S; Im, AR; Kim, YH; Kim, YS; Lee, HW; Lee, MY; Uddin, MR, 2013)
"Rotenone is a toxicant believed to contribute to the development of Parkinson's disease."	( Kagan, VE; Kapralov, AA; Kapralova, VI; Tyurin, VA; Tyurina, YY; Winnica, DE, 2013)
"Rotenone is an environmental neurotoxin that induces degeneration of dopaminergic (DA) neurons in substantia nigra pars compacta (SNpc), which ultimately results in parkinsonism, but the molecular mechanisms of selective degeneration of nigral DA neurons are not fully understood. "	( Ge, JB; Gu, JH; Liang, ZQ; Qin, ZH; Wang, Z; Wu, F, 2013)
"Rotenone is a Parkinson's disease-linked toxin, and correspondingly SH-SY5Y cells cultured at 5% oxygen also exhibited over 10 times greater sensitivity to rotenone than those cultured in atmospheric, 21%, oxygen."	( Fox, HS; Morsey, B; Tiede, LM; Villeneuve, L, 2013)
"Rotenone is a neurotoxin that is routinely used to model PD, thus to help us understand the mechanisms of neural death."	( Chen, N; He, W; Hu, J; Li, B; Yuan, Y; Zhang, W, 2014)
"Rotenone is a commonly used neurotoxin to produce in vivo and in vitro Parkinson's disease models."	( Choi, JH; Kim, KJ; Kim, KM; Kim, MK; Kim, S; Kim, SJ; Kim, YH; Oh, HN; Park, SE; Sapkota, K, 2014)
"Rotenone is an environmental toxin that has been shown to activate microglia and neuroinflammation."	( Du, C; Hong, Y; Hu, LF; Jia, J; Jin, M; Li, Q; Liu, CF; Wang, F; Wang, XH; Xu, JM; Zhang, Y, 2014)
"Rotenone is a naturally occurring mitochondrial complex I inhibitor with a known association with parkinsonian phenotypes in both human populations and rodent models. "	( Basu, SS; Blair, IA; Mesaros, C; Snyder, NW; Worth, AJ, 2014)
"Rotenone is an insecticide that causes oxidative damage by inhibiting the function of the electron transport chain in mitochondria."	( Ahmad, ST; Liao, J; Morin, LW, 2014)
"Rotenone is an environmental neurotoxin that induces accumulation of α-synuclein and degeneration of dopaminergic neurons in substantia nigra pars compacta (SNpc), but the molecular mechanisms are not fully understood. "	( Gu, JH; Guan, JJ; Hou, YS; Qin, ZH; Wu, F; Xu, HD; Zhen, XC, 2015)
"As rotenone acts as an inhibitor of mitochondrial respiratory complex I, we employed oxidative lipidomics to assess oxidative metabolism of a mitochondria-specific phospholipid, cardiolipin (CL), in substantia nigra (SN) of exposed animals."	( Bayır, H; Domingues, MR; Greenamyre, JT; Kagan, VE; Kapralova, VI; Maciel, E; McCoy, J; Polimova, AM; Sanders, LH; Tyurin, VA; Tyurina, YY; Vikulina, AS; Winnica, DE, 2015)
"Rotenone (ROT) is a widely used inhibitor of complex I (CI), the first complex of the mitochondrial oxidative phosphorylation (OXPHOS) system. "	( Grefte, S; Jansen, R; Koopman, WJ; Wagenaars, JA; Willems, PH, 2015)
"Rotenone, which is a component of Derris root, dissolved in DMSO, was highly inhibitory on the growth of lettuce protoplasts in culture and this could be one of the causes of the strong allelopathic activity of D."	( Fujii, Y; Inoue, A; Minagawa, R; Mori, D; Sasamoto, H, 2015)
"Rotenone is a toxin that inhibits complex I of the MRC and increases mitochondrial superoxide release."	( Dhagia, V; Gupte, SA; Lakhkar, A; Ochi, R; Patel, D; Wolin, MS, 2016)
"Rotenone, which is an inhibitor of the mitochondrial electron transport chain complex I, results in the activation of NOX2 and release of ROS, and has been shown to display anticancer activity through the induction of apoptosis in various cancer cells."	( Gao, C; Hao, B; Hu, W; Li, L; Li, S; Lu, M; Qi, L; Shan, S; Si, L; Tian, H; Yue, W, 2016)
"Rotenone is a neurotoxin derived from Derris roots or yam bean of genus Derris or Lonchocarpus It is known to cause Parkinson-like symptoms and is a potent electron transport inhibitor. "	( In, S; Lee, S; Moon, S; Rhee, J; Seo, J; Yum, H, 2016)
"Rotenone is a neurotoxin that is routinely used to model PD to aid in understanding the mechanisms of neuronal death."	( Ablat, N; Han, H; Lei, H; Lv, D; Ma, X; Ma, Y; Pu, X; Qi, X; Ren, R; Sun, Y; Xiaokaiti, Y; Xu, F; Xu, J; Ye, M; Zhao, X, 2016)
"Rotenone is a neurotoxin, which is often used to generate models of Parkinson's disease, since it causes the death of nigrostriatal neurons by inducing intracellular aggregation of alpha synuclein and ubiquitin."	( Horst, CH; Titze-de-Almeida, R; Titze-de-Almeida, SS, 2017)
"Rotenone is a widely used pesticide. "	( Dong, Z; Le, W; Li, Y; Sai, Y; Wu, Q; Ye, F, 2008)
"Rotenone is a mitochondrial inhibitor, influencing activity of many channels that potentially participate in cell death processes, but its effect on K(V) channel in neurons remains unclear."	( Gao, XF; He, C; Wang, W, 2008)
"Rotenone is a widely used pesticide that inhibits mitochondrial complex I and produces neurotoxicity."	( Gonzalez-Lima, F; Hayworth, CR; Rojas, JC, 2008)
"Rotenone is a pesticide that has been successfully used to produce a rodent model of Parkinson's disease. "	( Johnson, SW; Wu, YN, 2009)
"Rotenone is a pesticide that has been shown to induce the pathological symptoms of Parkinson's disease (PD) in animal models. "	( Chung, JH; Kim, HJ; Park, HJ; Park, HK, 2009)
"Rotenone is a potent inhibitor of complex I of the respiratory chain, which in vitro causes pathological and neurochemical characteristics of diseases in which mitochondrial impairment is involved, e.g., Parkinson's disease."	( Duvigneau, JC; Kranner, B; Krewenka, C; Moldzio, R; Radad, K; Rausch, WD; Wang, Y, 2010)
"Rotenone is an inhibitor of the mitochondrial electron transport chain complex I, resulting in the generation of reactive oxygen species (ROS). "	( Deng, YT; Huang, HC; Lin, JK, 2010)
"Rotenone is a toxin used to generate animal models of Parkinson's disease; however, the mechanisms of toxicity in substantia nigra pars compacta (SNc) neurons have not been well characterized. "	( Chung, KK; Freestone, PS; Guatteo, E; Lipski, J; Mercuri, NB; Nicholson, LF, 2009)
"Rotenone is a widely used pesticide that induces Parkinson's disease-like symptoms in rats and death of dopaminergic neurons in culture. "	( Buckner, S; Busenlehner, L; Gulis, G; Johnson, PC; Marcus, S; Sullivan, D; Wang, Y, 2010)
"Rotenone is a widely used pesticide that strongly inhibits mitochondrial Complex I (10)."	( Funk, RH; Pan-Montojo, FJ, 2010)
"Rotenone is a toxin used to generate intracellular oxidative stress in neurons."	( Çelik, Ö; Çiğ, B; Nazıroğlu, M; Özgül, C; Sözbir, E, 2011)
"Rotenone is a widely used pesticide and a potent inhibitor of mitochondrial complex I (NADH-quinone reductase) that elicits the degeneration of dopaminergic neurons and thereby the appearance of a parkinsonian syndrome. "	( Cuenca, N; De Juan, E; Esteve-Rudd, J; Fernández-Sánchez, L; Lax, P; Martín-Nieto, J, 2011)
"Rotenone is a mitochondrial poison that causes dopamine cell death and is used as a model of Parkinson's disease in rodents. "	( Johnson, SW; Wu, YN, 2011)
"Rotenone is a pesticide and a piscicide derived from the derris root. "	( Patel, F, 2011)
"Rotenone is a widely used pesticide and a mitochondrial complex I (CI) inhibitor."	( Irwin, MH; Parameshwaran, K; Pinkert, CA; Steliou, K, 2012)
"Rotenone is a pesticide that inhibits mitochondrial complex I activity, thus creating an environment of oxidative stress in the cell. "	( Ambasta, RK; Anand, K; Chaterjee, P; Kumar, P; Sonia Angeline, M, 2012)
"Rotenone is a botanical pesticide of natural origin, known to exhibit neurotoxic potential via inhibition of mitochondrial complex-I."	( Goswami, P; Mathur, R; Nath, C; Patro, IK; Singh, S; Swarnkar, S, 2012)
"Rotenone is a naturally derived pesticide that has recently been shown to evoke the behavioral and pathological symptoms of Parkinson's disease in animal models. "	( Cai, B; Chang, SH; Hsuan, SL; Newhouse, K; Wang, Y; Xia, Z, 2004)
"Rotenone is a mitochondrial toxin which can produce Parkinson syndrome (PS) in rats."	( Pasha, MK; Rajput, AH; Sharma, RK, 2005)
"Rotenone is a pesticide derived from the roots of plants from the Leguminosae family. "	( Alsahaf, H; Dargan, PI; Jones, AL; Streete, P; Wood, DM, 2005)
"Rotenone is a commonly used pesticide that can function as an environmental neurotoxin. "	( Crutchfield, KC; Dluzen, DE, 2006)
"Rotenone is a widely used pesticide that inhibits complex I, the first enzyme of the mitochondrial respiratory chain."	( Gonzalez-Lima, F; Rojas, JC; Zhang, X, 2006)
"Rotenone is a heterocyclic compound widely used as an insecticide, acaricide and piscicide. "	( Bahia, Mde O; Burbano, RR; Cardoso, PC; da Costa, ET; de Lima, PD; Pessoa, Cdo O; Rabenhorst, SH; Santos, RA; Smith, Mde A; Yamada, ES, 2005)
"Rotenone is a widely used pesticide and fish toxin that inhibits complex I of the mitochondrial respiratory chain. "	( Gonzalez-Lima, F; Jones, D; Zhang, X, 2006)
"Rotenone is a neurotoxin that has been used to induce experimental Parkinsonism in rats."	( Banik, NL; Guyton, MK; Knaryan, VH; Matzelle, DD; Ray, SK; Samantaray, S, 2007)
"Rotenone is a pesticide that produces a rodent model of Parkinson's disease. "	( Johnson, SW; Wu, YN, 2007)
"Rotenone is an insecticide which has been used extensively for a long time, and is now widely used in the U.S.A. "	( Gosálvez, M, 1983)
"Rotenone is a potent reversible competitive inhibitor of complex I (NADH-CoQ reductase)."	( Charalambous, A; Kilbourn, MR; Mangner, TJ, 1995)
"Rotenone is an insecticide which is a specific inhibitor of complex I."	( Beal, MF; Ferrante, RJ; Kowall, NW; Schulz, JB, 1997)
"Rotenone is a naturally occurring insecticide and piscicide (fish poison) found in many leguminous plants. "	( Dhoot, JS; Draper, WM; Perera, SK, 1999)

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"Rotenone has also been shown to induce apoptosis in human cells and the results of the annexin V/PI staining showed that glycitein exhibits remarkable potential to prevent in the rotenone triggered apoptosis in SK-N-SH cells."	( Dong, N; Yang, Z, 2022)
"Oral rotenone has been proposed as a model for Parkinson's disease (PD) in mice. "	( Gurke, R; Manderscheid, C; Niederberger, E; Schreiber, Y; Tegeder, I; Wilken-Schmitz, A, 2022)
"Rotenone has widespread beneficial effects in agriculture, fisheries and animal husbandries; however prolonged exposure causes a detrimental effect on the health of personnel working in such industries. "	( Chatterjee, A; Roy, T; Swarnakar, S, 2023)
"Rotenone has recently been widely used to establish Parkinson's disease (PD) models to replicate the features of PD. "	( Chen, J; Ding, F; Ge, D; Guo, H; Guo, X; Lu, J; Lu, X; Shi, Y; Zhang, Q; Zhang, Y, 2019)
"Rotenone has been widely used to establish PD models by inducing mitochondrial dysfunction and inflammation."	( Cheng, Q; Ding, F; Shen, M; Xu, H; Yu, S; Zhang, Q; Zhou, J, 2020)
"Rotenone has been primarily utilized in male Lewis rats; however, pilot studies in age-matched female Lewis rats revealed that our usual dose (2.8 mg/kg/day intraperitoneal [i.p.]) did not cause dopaminergic neurodegeneration."	( Castro, S; De Miranda, BR; Fazzari, M; Greenamyre, JT; Rocha, EM, 2019)
"Rotenone (ROT) has been extensively used as a model neurotoxin to induce Parkinson's disease (PD) like symptoms in mice."	( Hemalatha, P; Muralidhara, M; Rajini, PS; Rao, SV; Yetish, S, 2019)
"Rotenone has exhibited cytotoxic activity against several human tumour cell lines; however, its mechanism of action is still not fully understood."	( Alavez-Solano, D; Cerbón, MA; Estrella-Parra, EA; Gomez-Verjan, JC; González-Sánchez, I; Reyes-Chilpa, R; Vázquez-Martínez, ER; Vergara-Castañeda, E, 2014)
"The rotenone model of PD has become of great interest following the seminal paper by the Greenamyre group in 2000 (Betarbet et al., 2000)."	( Bobrovskaya, L; Johnson, ME, 2015)
"Rotenone has been shown to induce many parkinsonian features and has been widely used in chemical models of Parkinson's disease (PD). "	( Chen, M; Du, T; Duan, C; Gao, G; Liu, J; Wang, Y; Yang, H, 2016)
"Rotenone has been used as a pesticide for many years, it is an environmental poison reported to cause neurological diseases. "	( Feng, X; Huang, H; Jiang, X; Liu, L; Qiao, L; Yu, W; Zhang, B, 2017)
"Rotenone has been shown to display anticancer activity through the induction of apoptosis in various cancer cells."	( Deng, YT; Huang, HC; Lin, JK, 2010)
"Rotenone has toxic extra-mitochondrial structural effects."	( Campanella, M; Duchen, MR; Hall, AM; Loesch, A; Unwin, RJ, 2010)
"Rotenone exposure has emerged as an environmental risk factor for inflammation-associated neurodegenerative diseases. "	( Chang, CY; Choi, DK; Jeon, SB; Kim, IH; Lee, DK; Park, EJ; Song, MJ; Suk, K; Yoon, HJ, 2011)
"Rotenone has been reported to induce various degrees of Parkinsonism in rats. "	( Andringa, G; Bol, JG; Drukarch, B; Phinney, AL; van Dam, AM; van Muiswinkel, FL; Wolters, ECh, 2006)

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"Rotenone is used to generate Parkinson's disease (PD)-like symptoms in experimental animals. "	( Alturfan, AA; Büyükkayhan, D; Cansız, D; Emekli-Alturfan, E; Sürmen, MG; Sürmen, S; Ünal, İ; Üstündağ, ÜV, 2022)
"Rotenone caused an increase in LC3II expression, and FUNDC1-knocked down cells showed remarkably reduced LC3 expression compared to control cells."	( Koh, HC; Park, SY, 2020)
"2DG/rotenone failed to increase proautophagic beclin-1 and autophagic flux in melanoma cells despite the activation of AMP-activated protein kinase (AMPK) and inhibition of mechanistic target of rapamycin complex 1 (mTORC1)."	( Bosnjak, M; Harhaji-Trajkovic, L; Kosic, M; Kravic-Stevovic, T; Mircic, A; Paunovic, V; Ristic, B; Stevanovic, D; Trajkovic, V, 2021)
"Rotenone can cause neuronal death or apoptosis through inducing oxidative injury and inhibiting mitochondrial function."	( Ding, Z; Dong, X; Fan, W; Gao, Q; Hu, T; Hu, Y; Li, G; Li, Y; Liu, H; Liu, T; Liu, Z; Sun, J; Wang, H; Xie, C; Yu, Y; Zhang, J; Zhu, S, 2018)
"Both rotenone and PQ, which increase O2(-) in the mitochondrial matrix at a dose-dependent manner, enhanced the conversion of MeHg to inorganic mercury (iHg)."	( Chan, HM; Mailloux, RJ; Yumvihoze, E, 2015)
"The rotenone-induced ICa,L increase was associated with a shift in the current-voltage relationship (I-V) to a hyperpolarizing direction."	( Dhagia, V; Gupte, SA; Lakhkar, A; Ochi, R; Patel, D; Wolin, MS, 2016)
"Rotenone could cause the decrease of the ATP content and inhibit activities of Na+ -K+ -ATPase and Ca2+ -ATPase."	( Guo, K; Li, J; Liu, H; Xu, D; Yin, F; Zhang, J, 2010)
"Rotenone induced an increase in phosphorylated tau, the effect of which was attenuated by concomitant treatment with SB216763."	( Akaike, A; Hongo, H; Izumi, Y; Kihara, T; Kume, T; Niidome, T; Sugimoto, H, 2012)
"rotenone) promotes the release of alpha-synuclein by enteric neurons and that released enteric alpha-synuclein is up-taken by presynaptic sympathetic neurites and retrogradely transported to the soma, where it accumulates."	( Arnhold, M; Funk, RH; Gille, G; Marsico, G; O'Sullivan, GA; Pal, A; Pan-Montojo, F; Reichmann, H; Rodrigo-Angulo, M; Said, J; Schwarz, M; Verbavatz, JM; Winkler, C, 2012)
"Rotenone is known to cause progressive dopaminergic neuronal loss in rodents, but it remains unclear how this mitochondrial complex-I inhibitor mediates neurodegeneration specific to substantia nigra pars compacta (SNpc). "	( Haobam, R; Karuppagounder, SS; Madathil, KS; Mohanakumar, KP; Rajamma, U; Varghese, M, 2013)
"Rotenone induced an increase in mitochondrial-derived free radicals and lipid peroxidation."	( Beretta, S; Derham, B; Ferrarese, C; Osborne, NN; Sala, G; Tremolizzo, L; Wood, JP, 2006)
"Rotenone induced an increase in cell death and oxidative stress in GCL compared to controls, and these changes were prevented by the co-administration of memantine."	( Gonzalez-Lima, F; Rojas, JC; Saavedra, JA, 2008)
"The rotenone-induced increase in reduced nicotinamide adenine dinucleotide (phosphate) [NAD(P)H] fluorescence reflecting the amount of NADH available for the respiratory chain was also diminished by H(2)O(2), and the effect exerted at small concentrations (	( Adam-Vizi, V; Tretter, L, 2000)
"Rotenone did not inhibit the oxygen uptake of the parasite."	( Aldunate, J; Coloma-Torres, L; Morello, A; Ojeda, JM; Repetto, Y; Spencer, P, 1992)
"With rotenone, an increase in Ca2+-independent glutamate release was observed, correlating with a decline in plasma membrane potential."	( Kauppinen, RA; McMahon, HT; Nicholls, DG, 1988)

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"Rotenone treatment led to not only the activation of p38 but also Parkin inactivation and reactive oxygen species (ROS) overproduction in SN4741 cells."	( Cai, Z; Chen, J; Fu, C; Li, M; Liu, L; Peng, Y; Xie, A; Zhang, H; Zhou, X, 2021)
"Rotenone treatment resulted in motor deficits and TH expression decreases in the nigrostriatal pathway, exhibiting PD-like behavioural motor and neurochemical phenotypes. "	( Chiou, A; Dermon, CR; Fanarioti, E; Karathanos, VT; Karvelas, M; Tsarouchi, M; Vasilakopoulou, PB, 2023)
"In rotenone-treated primary midbrain neuron-glial cultures, loss of dopaminergic neuron and microglial activation were mitigated by SVHRSP."	( Gao, Y; Hong, JS; Hou, L; Li, D; Li, N; Li, S; Liu, J; Tian, L; Tu, D; Wang, Q; Zhang, X; Zhao, J, 2022)
"Rotenone-treated mice did not gain body weight during treatment compared with about 4 g in vehicle-treated mice, which was however the only robust manifestation of drug treatment and suggested local gut damage."	( Gurke, R; Manderscheid, C; Niederberger, E; Schreiber, Y; Tegeder, I; Wilken-Schmitz, A, 2022)
"Rotenone treatment showed a decrease of FUNDC1 expression in the mitochondrial fraction of SH-SY5Y and HeLa cells, but an increase of PINK1/Parkin expression only in SH-SY5Y cells."	( Kim, BH; Koh, HC, 2023)
"Rotenone treatment to neuro2a cells caused significantly decreased cell viability, increased cytotoxicity, augmented nitrite levels, increased nitrotyrosine level and augmented level of key ER stress markers (GRP-78, GADD153 and caspase-12)."	( Biswas, J; Gupta, P; Gupta, S; Mishra, A; Singh, A; Singh, S; Tiwari, S, 2019)
"Rotenone treatment resulted in PINK1 stabilization on the outer mitochondrial membrane and a subsequent increase in recruitment of Parkin from the cytosol to the abnormal mitochondria, as well as physical interaction of PINK1 with Parkin in the mitochondria of rotenone-treated cells."	( Koh, HC; Park, SY, 2020)
"The rotenone-treated mice exhibited motor deficits assessed by open field, rotarod and cylinder test and gastrointestinal dysfunction."	( Asanuma, M; Furukawa, C; Imafuku, F; Isooka, N; Kikuoka, R; Miyazaki, I; Sun, J, 2020)
"In rotenone-pre-treated cells, β-methylphenylalanine significantly increased cell viability and MMP, whereas ROS levels, apoptosis and fragmented mitochondria were reduced."	( Feng, Y; Ma, J; Yuan, L, 2020)
"In rotenone-treated BV2 cells, PQQ dose-dependently decreased lactate dehydrogenase (LDH) release and suppressed the up-regulation of pro-inflammation factors, such as interleukin-1β (IL-1β), IL-6 and tumor necrosis factor-α (TNF-α) in the cultured media, as well as nitric oxide (NO) release induced by rotenone."	( Cheng, Q; Ding, F; Shen, M; Xu, H; Yu, S; Zhang, Q; Zhou, J, 2020)
"In rotenone-treated PC12 cells, exposure to PM2.5 could decrease the expression levels of LC3II and Atg5, and increase the expression level of mTOR, suggesting that PM2.5 exposure inhibited autophagy."	( Chen, Y; Du, L; Ge, M; Kang, X; Li, C; Li, Y; Liu, Y; Wang, W; Wang, Y; Zhang, W; Zhang, X, 2021)
"Rotenone treatment significantly increases the levels of ROS, loss of MMP, release of Cyt-c and expression of pro-apoptotic markers and decreases the expression of anti-apoptotic markers."	( Chidambaram, R; Dhanalakshmi, C; Essa, MM; Gobi, VV; Justin Thenmozhi, A; Kalandar, A; Manivasagam, T; Rajasankar, S; Ramkumar, M, 2017)
"Rotenone treatment exhibited enhanced motor impairments, neurochemical deficits, oxidative stress, and inflammation, whereas oral administration of A."	( Chidambaram, R; Dhanalakshmi, C; Essa, MM; Justin Thenmozhi, A; Kalandar, A; Manivasagam, T; Rajasankar, S; Ramkumar, M; Venkatesh Gobi, V, 2018)
"Rotenone-treated SH-SY5Y cells were used as the cell model to investigate the neuroprotective effects of rifampicin."	( Chen, Y; Huang, K; Jing, X; Lei, M; Liang, Y; Lin, D; Peng, S; Tao, E; Wu, X; Zeng, Z; Zheng, D; Zhou, T, 2018)
"Rotenone treatment led to significant reduction in motor functioning and elevation in oxidative stress markers."	( Ahmed, MAE; El Sayed, NS; El-Sahar, AE; Mansour, RM, 2018)
"The rotenone-treated rats were administered sitagliptin (30 mg/kg/day, p.o.) and liraglutide (50 μg/kg, s.c.) for 16 days either alone or together with L-dopa/carbidopa (50/25 mg/kg/day, i.p.)."	( Abd El Fattah, MA; Badawi, GA; El Sayed, MI; Zaki, HF, 2019)
"This rotenone treatment induced reduced rears and distance travelled in the rearing and open field test, respectively but caused no impairments in forced movement (rotarod test)."	( Bobrovskaya, L; Johnson, ME; Zhou, XF, 2019)
"Rotenone treatment in mice significantly increased lipid peroxidation (2.02 fold) and decreased the levels of reduced glutathione (2.99 fold), superoxide dismutase (2.09 fold) and catalase (3.60 fold) in the liver as compared to controls."	( Hasan, W; Jat, D; Kori, RK; Thakre, K; Yadav, RS, 2019)
"Rotenone treatment also resulted in reduction of [(3)H]dopamine uptake and mitochondrial complex I activity in the striatum of rats with neonatal LPS exposure, but not in those without this exposure."	( Bhatt, AJ; Cai, Z; Fan, LW; Kaizaki, A; Pang, Y; Tien, LT, 2013)
"Rotenone treatment increased levels of 5-methylcytosine (5mc) and hydroxymethylcytosine (5hmc), suggesting a possible association between complex I dysfunction and DNA alterations."	( Andreazza, AC; Kim, HK; Salvador, M; Scola, G; Young, LT, 2014)
"Rotenone treatment of SH-SY5Y cells reduced their viability. "	( Jang, W; Jo, KD; Kim, HJ; Lee, MK; Li, H; Song, SH; Yang, HO, 2014)
"Rotenone-treated mice showed impairment in locomotor behavior and a significant reduction in brain dopamine, serotonin, norepinephrine, GSH levels, and paraoxonase activity, whereas a significant increase was observed in brain malondialdehyde, tumor necrosis factor-α, interleukin-β levels besides DNA damage, and over-expression of caspase-3, Bax, and Bcl-2 genes."	( Assaf, N; ElShebiney, SA; Khalil, WK; Salem, NA, 2015)
"Rotenone treated rats did not exhibit gain in body weight, whereas rats co-treated with EcN-5 showed significant restoration in body weight gain."	( Gattupalli, NK; Pandey, SK; Saha, G; Singh, AK, 2015)
"Rotenone treatment to C6 cells exhibited significant generation of reactive oxygen species, augmented nitrite level, impaired mitochondrial activity, apoptotic chromatin condensation and DNA damage in comparison to control cells."	( Goswami, P; Gupta, S; Joshi, N; Sharma, S; Singh, S, 2015)
"Rotenone treatment of SH-SY5Y cells reduced their viability, increased reactive oxygen species levels, and induced apoptosis and α-synuclein expression, and simultaneous exposure to EPO significantly reduced these effects."	( Jang, W; Jo, KD; Kim, HJ; Lee, MK; Li, H; Yang, HO, 2016)
"In rotenone-treated macrophage cells, stimulation by LPS led to impairment in substrate-level phosphorylation (SLP) of in situ mitochondria, deduced by a reversal in the directionality of the adenine nucleotide translocase operation."	( Adam-Vizi, V; Adams, D; Chinopoulos, C; Csépányi-Kömi, R; Csete, D; Doczi, J; Horvath, G; Iordanov, I; Kacso, G; Kiss, G; Mócsai, A; Nagy, AM; Németh, B; Ravasz, D; Tretter, L, 2016)
"Rotenone treatment exhibited motor and non-motor impairments, neurochemical deficits, oxidative stress and apoptosis, whereas oral administration of vanillin attenuated the above-said indices."	( Dhanalakshmi, C; Essa, MM; Guillemin, GJ; Janakiraman, U; Justin Thenmozhi, A; Kalandar, A; Khan, MA; Manivasagam, T, 2016)
"In rotenone-treated BV2 cells, MK-4 (0.5-20 μmol/L) dose-dependently suppressed the upregulation in the expression of iNOS and COX-2 in the cells, as well as the production of TNF-α and IL-1β in the cultured media. "	( Chen, D; Gao, F; Hu, QS; Li, YP; Wang, GH; Yu, YX; Zhang, Y, 2016)
"In a rotenone-treated (intragastric 30 mg/(kg·d), 56 d) C57BL-6J mouse model, OE (intragastric 15 mg/(kg·d), 56 d) improved motor function, as indicated by an increased moving distance in the spontaneous activity test and sustained time on the rota-rod test."	( Feng, D; Gong, J; He, X; Ji, J; Jin, T; Li, L; Liu, C; Sun, H; Sun, J; Xiang, L; Yue, S; Zhou, R, 2017)
"Rotenone, 100 μM treatment for 4 h, caused trophoblast cell apoptosis as evidenced by increased Annexin V binding and decreased expression of Bcl-2."	( Holland, O; Khera, A; Perkins, AV; Vanderlelie, JJ, 2017)
"Rotenone treatment of SH-SY5Y cells reduced their viability and α-synuclein expression; simultaneous exposure to rosuvastatin significantly restored these parameters."	( Jang, W; Kang, SY; Kim, HJ; Kim, HT; Lee, SB; Yang, HO, 2017)
"All rotenone-treated animals developed bradykinesia, postural instability, and/or rigidity, which were reversed by apomorphine, consistent with a lesion of the nigrostriatal dopamine system."	( Cannon, JR; Drolet, RE; Greenamyre, JT; Honick, AS; Na, HM; Tapias, V, 2009)
"Rotenone treatment caused an acute reduction in alpha-synuclein-immunoreactivity, but this was followed 6 months later by a robust increase in aggregate pathology and cytoplasmic inclusions that were similar in appearance to enteric Lewy-bodies in idiopathic PD."	( Cannon, JR; Drolet, RE; Greenamyre, JT; Montero, L, 2009)
"Rotenone treatment induced a larger loss of dopamine markers in C."	( Chan, D; Cookson, M; Ferree, A; Ghosh, J; Goldstein, L; Guillily, MD; Hisamoto, N; Hsu, CH; Iwatsubo, T; Kuwahara, T; Lanceta, J; Matsumoto, K; Moore, L; Raghavan, K; Saha, S; Segal, L; Wolozin, B, 2009)
"Rotenone treatment significantly reduced dihydroethidium staining, which remained steady at 15% above baseline for up to 60 min postimpact."	( Buckwalter, JA; Goodwin, W; Martin, JA; McCabe, D; Reese, E; Sauter, E; Walter, M, 2010)
"Rotenone treated rats showed significant decrease in GSH and increase in MDA in different brain regions though the pattern was varied."	( Mathur, R; Nath, C; Patro, IK; Singh, S; Swarnkar, S, 2010)
"Rotenone treatment of 30 mg/kg for 25 doses over a 35-day period was tolerated in the transgenic mice and resulted in decreased spontaneous locomotor movement and increased cytoplasmic alphaSN expression."	( Ayton, S; Culvenor, JG; Finkelstein, DI; George, S; Li, QX; Masters, CL; Mok, SS; Nurjono, M, 2010)
"Rotenone treatment was used as a positive control."	( Billaudel, B; Haro, E; Hurtier, A; Lagroye, I; Poulletier de Gannes, F; Ruffié, G; Taxile, M; Veyret, B, 2011)
"Rotenone-treated rats showed abnormalities in equilibrium, postural instability and involuntary movements."	( Cuenca, N; De Juan, E; Esteve-Rudd, J; Fernández-Sánchez, L; Lax, P; Martín-Nieto, J, 2011)
"This rotenone treatment regimen ordinarily does not produce toxic effects on behaviors in normal adult rats."	( Cai, Z; Fan, LW; Lin, RC; Rhodes, PG; Simpson, KL; Tien, LT, 2011)
"Rotenone-treated rats exhibited abnormalities in equilibrium, postural instability, and involuntary movements."	( Cuenca, N; Esquiva, G; Esteve-Rudd, J; Lax, P; Madrid, JA; Otalora, BB, 2012)
"Rotenone treatment impaired cell intactness and nuclear morphology as depicted by PI uptake and chromosomal condensation of Neuro-2a cells, respectively."	( Goswami, P; Gupta, S; Kamat, PK; Nath, C; Patro, IK; Singh, S; Swarnkar, S, 2012)
"Rotenone treatment also decreased tau expression in the microtubule fraction and increased tau expression in the cytosol fraction."	( Akaike, A; Hongo, H; Izumi, Y; Kihara, T; Kume, T; Niidome, T; Sugimoto, H, 2012)
"Rotenone-treated cells showed round nuclei, diffuse signals of the GA and cytosolic redistribution of cytochrome c."	( Asanuma, M; Diaz-Corrales, FJ; Miyazaki, I; Ogawa, N, 2004)
"Rotenone pretreatment preserved the contents of cardiolipin and cytochrome c measured after 45 min of ischemia."	( Chen, Q; Hassan, MO; Hoppel, CL; Lesnefsky, EJ; Moghaddas, S; Tandler, B, 2004)
"The rotenone treatment caused a decrease of testosterone level in the peripheral blood plasma."	( Alam, M; Schmidt, WJ, 2004)
"Rotenone-treated neurons and astrocytes showed enlarged and multiple centrosomes."	( Asanuma, M; Diaz-Corrales, FJ; Miyazaki, I; Miyoshi, K; Ogawa, N, 2005)
"Rotenone treatment without erdosteine increased xanthine oxidase (XO) enzyme activity and also increased lipid peroxidation in liver tissue (P < 0.05)."	( Fadillioglu, E; Idiz, N; Ilhan, A; Iraz, M; Sahin, S; Terzi, A, 2004)
"Rotenone-treated rats with a pronounced metabolic impairment had reduced locomotor activity, dystonic limb posture and postural instability."	( Champy, P; Duyckaerts, C; Féger, J; Hirsch, EC; Höglinger, GU; Khondiker, ME; Lannuzel, A; Lombes, A; Medja, F; Michel, PP; Oertel, WH; Prigent, A; Ruberg, M, 2005)
"Rotenone treatment increased activities of superoxide dismutase (SOD), glutathione peroxidase (GPx) and levels of malondialdehyde (MDA)."	( Benedí, J; Elorza, M; Gómez del Rio, MA; Iglesias, I; Sánchez-Reus, MI; Slowing, K, 2007)
"Rotenone treatment of THP-1 cells also led to upregulation of cyclooxygenase-2 and secretion of prostaglandin E2."	( Hu, JH; Zhu, XZ, 2007)
"Rotenone treatment did not affect the chemotaxis against repellents (fructose, NaCl)."	( Kobatake, Y; Kurihara, K; Mito, Y, 1980)
"Treatment of rotenone in mice significantly shortened the stride length for both forelimb and hind-limb and increased fore-paws and hind-limb base width."	( Hasan, W; Jain, J; Jat, D; Kori, RK; Yadav, RS, 2020)
"Mice treated with rotenone rerecorded significant increase in adenosine A"	( Ahmed, YR; Ali, SA; Hamed, MA; Khalil, WKB; Motawi, TK; Sadik, NAH, 2020)
"Treatment with rotenone reduced the number of Hu+ cells/mm"	( Berger, JP; Constable, R; Di Natale, M; Diwakarla, S; Finkelstein, DI; Furness, JB; Kauhausen, J; Lee, S; McQuade, RM; Parish, CL; Ringuet, MT; Singleton, LM; Wu, H, 2021)
"Treatment with rotenone or rotenone-stimulated glial cell-conditioned media altered gene expression of growth factors and inflammatory cytokines in glial cells."	( Himori, N; Inoue-Yanagimachi, M; Nakazawa, T; Tawarayama, H, 2021)
"Treatment with rotenone reduced PC12 cell viability and cellular ATP levels."	( Chae, S; Im, AR; Kim, YH; Kim, YS; Lee, HW; Lee, MY; Uddin, MR, 2013)
"Pretreatment with rotenone has no obvious effects on hepatic malondialdehyde (MDA) contents but it significantly inhibited the up-regulation of both hepatic mRNA level and plasma protein level of TNF-α and IL-6."	( Ai, Q; Che, Q; Dai, J; Jia, M; Jiang, R; Jing, Y; Lin, L; Wan, J; Zhang, L; Zhou, D, 2014)
"EPO treatment in rotenone-infusion group resulted in improvement of striatal neurodegeneration and a significant increase in decreased total number of neurons and immunohistochemical TH positive neurons."	( Ateş, U; Çavuşoğlu, T; Çınar, BP; Erbaş, O; Solmaz, V, 2015)
"Treatment with rotenone, both in vitro and in vivo, is widely used to model dopamine neuron death in Parkinson's disease upon exposure to environmental neurotoxicants and pesticides. "	( Choi, WS; Kim, HW; Xia, Z, 2015)
"Treatment with rotenone produced similar results."	( Dabiri, B; Deheshi, S; Fan, S; Rintoul, GL; Tsang, M, 2015)
"Treatment with rotenone, an inhibitor of mitochondrial complex I, significantly attenuated oxidative stress, mitochondrial dysfunction, and inflammasome response in aldosterone-infused rats."	( Ding, W; Wang, B; Xu, C; Zhang, M, 2015)
"Treatment with rotenone significantly increased the number of apoptotic cells, accompanied by marked increases in the Bax/Bcl-2 ratio, cytochrome c release and caspase-3 activation. "	( Chen, NH; Chu, SF; Guo, QL; Huang, JY; Shi, JG; Wang, YN; Yan, JQ; Yuan, YH; Zhu, CG, 2016)
"Pretreatment of rotenone groups with AMI or IMI prevented rotenone-induced neuronal degeneration and increased striatal dopamine level with motor recovery."	( Abdelkader, NF; El-Sayeh, BM; Kandil, EA; Saleh, S, 2016)
"Mice treated with rotenone demonstrated marked attenuation of bone erosion based on Micro CT and histologic analysis of femurs."	( Bae, JM; Cho, HJ; Choi, SW; Kim, HS; Kim, JJ; Kim, SH; Kwak, HB; Lee, BK; Lee, MS; Oh, J; Yeon, JT, 2010)
"The treatment with rotenone resulted in decreased cell survival and increased free radical generation."	( Goswami, P; Mathur, R; Nath, C; Patro, IK; Singh, S; Swarnkar, S, 2012)
"Treatment with rotenone (2-16 ng/ml) for 24 h also caused the channels to open with gently increased ROS."	( Bai, Q; He, J; Qiu, J; Wang, S; Wang, Y; Xiu, Y; Yu, C, 2012)
"Co-treatment of rotenone and WY-14,643 (group IV) decreased focal DNA synthesis and mitosis and increased the incidence of apoptotic hepatocytes."	( Ayoubi, SA; Isenberg, JS; Klaunig, JE; Kolaja, KL; Watkins, JB, 1997)
"Pretreatment with rotenone significantly augmented the toxic effect of L-DOPA on DA neurons."	( Itakura, T; Nakai, K; Nakao, N, 1997)
"Treatment with rotenone or antimycin A also resulted in increased wortmannin-sensitive Akt phosphorylation, probably by increasing intracellular H2O2 generation by blocking mitochondrial electron transport."	( Felts, N; Floyd, RA; Hensley, K; Pye, QN; Salsman, S, 2001)
"Treatment with rotenone, an inhibitor of complex I, resulted in an increase of detergent-resistant alpha-synuclein aggregates and a reduction in ATP level."	( Choi, C; Lee, HJ; Lee, SJ; Lee, YH; Shin, SY, 2002)

Role	Description
phytogenic insecticide	An insecticide compound naturally occurring in plants.
mitochondrial NADH:ubiquinone reductase inhibitor	null
metabolite	Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
antineoplastic agent	A substance that inhibits or prevents the proliferation of neoplasms.
toxin	Poisonous substance produced by a biological organism such as a microbe, animal or plant.
piscicide	A substance which is poisonous to fish and is primarily used to eliminate dominant species of fish in water.
[role information is derived from Chemical Entities of Biological Interest (ChEBI), Hastings J, Owen G, Dekker A, Ennis M, Kale N, Muthukrishnan V, Turner S, Swainston N, Mendes P, Steinbeck C. (2016). ChEBI in 2016: Improved services and an expanding collection of metabolites. Nucleic Acids Res]

Class	Description
organic heteropentacyclic compound
rotenones	Members of the class of rotenoid which consists of a 6a,12a-dihydrochromeno[3,4-b]chromen-12(6H)-one skeleton and its substituted products.
[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
rotenoid biosynthesis I	0	5
rotenoid biosynthesis II	0	6
NAD/NADH phosphorylation and dephosphorylation	29	19
aerobic respiration III (alternative oxidase pathway)	39	15
aerobic respiration I (cytochrome c)	50	15
rotenoid biosynthesis I	0	8
rotenoid biosynthesis II	0	7
4-hydroxytamoxifen, dexamethasone, and retinoic acids regulation of p27 expression	0	11

Protein	Taxonomy	Measurement	Average (µ)	Min (ref.)	Avg (ref.)	Max (ref.)	Bioassay(s)
Chain A, TYROSYL-DNA PHOSPHODIESTERASE	Homo sapiens (human)	Potency	0.0050	0.0040	23.8416	100.0000	AID485290
Chain A, 2-oxoglutarate Oxygenase	Homo sapiens (human)	Potency	39.8107	0.1778	14.3909	39.8107	AID2147
Chain A, ATP-DEPENDENT DNA HELICASE Q1	Homo sapiens (human)	Potency	3.1623	0.1259	19.1169	125.8920	AID2549
Chain A, Ferritin light chain	Equus caballus (horse)	Potency	11.2202	5.6234	17.2929	31.6228	AID2323
Chain A, Cruzipain	Trypanosoma cruzi	Potency	39.8107	0.0020	14.6779	39.8107	AID1476
thioredoxin reductase	Rattus norvegicus (Norway rat)	Potency	21.1923	0.1000	20.8793	79.4328	AID588453
hypoxia-inducible factor 1 alpha subunit	Homo sapiens (human)	Potency	30.2889	3.1890	29.8841	59.4836	AID1224846
RAR-related orphan receptor gamma	Mus musculus (house mouse)	Potency	0.2184	0.0060	38.0041	19,952.5996	AID1159521; AID1159523
SMAD family member 2	Homo sapiens (human)	Potency	0.1077	0.1737	34.3047	61.8120	AID1346924
ATAD5 protein, partial	Homo sapiens (human)	Potency	0.2310	0.0041	10.8903	31.5287	AID493107
Fumarate hydratase	Homo sapiens (human)	Potency	3.3173	0.0030	8.7949	48.0869	AID1347053
USP1 protein, partial	Homo sapiens (human)	Potency	48.0224	0.0316	37.5844	354.8130	AID504865
GLS protein	Homo sapiens (human)	Potency	11.2202	0.3548	7.9355	39.8107	AID624146
PPM1D protein	Homo sapiens (human)	Potency	1.8557	0.0052	9.4661	32.9993	AID1347411
SMAD family member 3	Homo sapiens (human)	Potency	0.1077	0.1737	34.3047	61.8120	AID1346924
TDP1 protein	Homo sapiens (human)	Potency	0.2031	0.0008	11.3822	44.6684	AID686978; AID686979
GLI family zinc finger 3	Homo sapiens (human)	Potency	1.2449	0.0007	14.5928	83.7951	AID1259369; AID1259392
Microtubule-associated protein tau	Homo sapiens (human)	Potency	8.9125	0.1800	13.5574	39.8107	AID1460
AR protein	Homo sapiens (human)	Potency	0.1856	0.0002	21.2231	8,912.5098	AID1259243; AID1259247; AID588515; AID743035; AID743042; AID743054; AID743063
aldehyde dehydrogenase 1 family, member A1	Homo sapiens (human)	Potency	35.4813	0.0112	12.4002	100.0000	AID1030
thyroid stimulating hormone receptor	Homo sapiens (human)	Potency	1.2589	0.0013	18.0743	39.8107	AID926; AID938
estrogen receptor 2 (ER beta)	Homo sapiens (human)	Potency	18.2138	0.0006	57.9133	22,387.1992	AID1259378
nuclear receptor subfamily 1, group I, member 3	Homo sapiens (human)	Potency	6.7260	0.0010	22.6508	76.6163	AID1224838; AID1224893
progesterone receptor	Homo sapiens (human)	Potency	18.6626	0.0004	17.9460	75.1148	AID1346784; AID1346795
regulator of G-protein signaling 4	Homo sapiens (human)	Potency	21.1923	0.5318	15.4358	37.6858	AID504845
cytochrome P450 family 3 subfamily A polypeptide 4	Homo sapiens (human)	Potency	5.4950	0.0123	7.9835	43.2770	AID1645841
EWS/FLI fusion protein	Homo sapiens (human)	Potency	2.6196	0.0013	10.1577	42.8575	AID1259252; AID1259253; AID1259255; AID1259256
nonstructural protein 1	Influenza A virus (A/WSN/1933(H1N1))	Potency	39.8107	0.2818	9.7212	35.4813	AID2326
glucocorticoid receptor [Homo sapiens]	Homo sapiens (human)	Potency	34.5962	0.0002	14.3764	60.0339	AID588533; AID720691; AID720692; AID720719
retinoic acid nuclear receptor alpha variant 1	Homo sapiens (human)	Potency	4.3188	0.0030	41.6115	22,387.1992	AID1159552; AID1159555
retinoid X nuclear receptor alpha	Homo sapiens (human)	Potency	5.1105	0.0008	17.5051	59.3239	AID1159527; AID1159531; AID588544; AID588546
estrogen-related nuclear receptor alpha	Homo sapiens (human)	Potency	0.0210	0.0015	30.6073	15,848.9004	AID1224819; AID1224820; AID1224821; AID1224841; AID1224842; AID1224848; AID1224849; AID1259401; AID1259403
farnesoid X nuclear receptor	Homo sapiens (human)	Potency	21.9534	0.3758	27.4851	61.6524	AID743217
pregnane X nuclear receptor	Homo sapiens (human)	Potency	13.8660	0.0054	28.0263	1,258.9301	AID1346982; AID720659
estrogen nuclear receptor alpha	Homo sapiens (human)	Potency	10.0914	0.0002	29.3054	16,493.5996	AID1259244; AID1259248; AID588513; AID743069; AID743075; AID743078; AID743079; AID743080; AID743091
G	Vesicular stomatitis virus	Potency	6.1655	0.0123	8.9648	39.8107	AID1645842
polyprotein	Zika virus	Potency	3.3173	0.0030	8.7949	48.0869	AID1347053
peroxisome proliferator-activated receptor delta	Homo sapiens (human)	Potency	19.4804	0.0010	24.5048	61.6448	AID588534; AID743212; AID743215
peroxisome proliferator activated receptor gamma	Homo sapiens (human)	Potency	22.1352	0.0010	19.4141	70.9645	AID588536; AID588537; AID743191
vitamin D (1,25- dihydroxyvitamin D3) receptor	Homo sapiens (human)	Potency	7.6152	0.0237	23.2282	63.5986	AID743222; AID743241
euchromatic histone-lysine N-methyltransferase 2	Homo sapiens (human)	Potency	23.7781	0.0355	20.9770	89.1251	AID504332
cytochrome P450, family 19, subfamily A, polypeptide 1, isoform CRA_a	Homo sapiens (human)	Potency	28.0558	0.0017	23.8393	78.1014	AID743083
thyroid stimulating hormone receptor	Homo sapiens (human)	Potency	23.6310	0.0016	28.0151	77.1139	AID1224843; AID1224895
nuclear factor of kappa light polypeptide gene enhancer in B-cells 1 (p105), isoform CRA_a	Homo sapiens (human)	Potency	58.7082	19.7391	45.9784	64.9432	AID1159509
v-jun sarcoma virus 17 oncogene homolog (avian)	Homo sapiens (human)	Potency	28.0589	0.0578	21.1097	61.2679	AID1159526; AID1159528
Bloom syndrome protein isoform 1	Homo sapiens (human)	Potency	22.3872	0.5406	17.6392	96.1227	AID2364; AID2528
NPC intracellular cholesterol transporter 1 precursor	Homo sapiens (human)	Potency	290.9290	0.0126	2.4518	25.0177	AID485313
peripheral myelin protein 22 isoform 1	Homo sapiens (human)	Potency	0.0478	23.9341	23.9341	23.9341	AID1967
cytochrome P450 2C19 precursor	Homo sapiens (human)	Potency	1.0000	0.0025	5.8400	31.6228	AID899
cytochrome P450 2C9 precursor	Homo sapiens (human)	Potency	31.6228	0.0063	6.9043	39.8107	AID883
atrial natriuretic peptide receptor 1 precursor	Homo sapiens (human)	Potency	0.1346	0.1346	10.3950	30.1313	AID1347049
chromobox protein homolog 1	Homo sapiens (human)	Potency	35.4813	0.0060	26.1688	89.1251	AID488953
thyroid hormone receptor beta isoform a	Homo sapiens (human)	Potency	12.5893	0.0100	39.5371	1,122.0200	AID588547
potassium voltage-gated channel subfamily H member 2 isoform d	Homo sapiens (human)	Potency	25.1189	0.0178	9.6374	44.6684	AID588834
thyroid hormone receptor beta isoform 2	Rattus norvegicus (Norway rat)	Potency	0.1034	0.0003	23.4451	159.6830	AID743065; AID743067
heat shock protein beta-1	Homo sapiens (human)	Potency	49.8391	0.0420	27.3789	61.6448	AID743210; AID743228
DNA polymerase beta	Homo sapiens (human)	Potency	39.8107	0.0224	21.0102	89.1251	AID485314
atrial natriuretic peptide receptor 2 precursor	Homo sapiens (human)	Potency	0.0826	0.0066	9.8094	18.4927	AID1347050
ras-related protein Rab-9A	Homo sapiens (human)	Potency	73.0780	0.0002	2.6215	31.4954	AID485297
serine/threonine-protein kinase mTOR isoform 1	Homo sapiens (human)	Potency	0.0525	0.0037	8.6189	23.2809	AID2667; AID2668
nuclear factor erythroid 2-related factor 2 isoform 1	Homo sapiens (human)	Potency	8.0600	0.0006	27.2152	1,122.0200	AID651741; AID743202; AID743219
DNA polymerase iota isoform a (long)	Homo sapiens (human)	Potency	22.3872	0.0501	27.0736	89.1251	AID588590
nuclear receptor ROR-gamma isoform 1	Mus musculus (house mouse)	Potency	5.9931	0.0079	8.2332	1,122.0200	AID2546; AID2551
geminin	Homo sapiens (human)	Potency	4.5282	0.0046	11.3741	33.4983	AID463097; AID504364; AID624296; AID624297
peripheral myelin protein 22	Rattus norvegicus (Norway rat)	Potency	0.0684	0.0056	12.3677	36.1254	AID624032; AID624044
survival motor neuron protein isoform d	Homo sapiens (human)	Potency	0.0631	0.1259	12.2344	35.4813	AID1458
cytochrome P450 3A4 isoform 1	Homo sapiens (human)	Potency	15.8489	0.0316	10.2792	39.8107	AID884; AID885
M-phase phosphoprotein 8	Homo sapiens (human)	Potency	19.2885	0.1778	24.7352	79.4328	AID488949
lethal factor (plasmid)	Bacillus anthracis str. A2012	Potency	6.3096	0.0200	10.7869	31.6228	AID912
lamin isoform A-delta10	Homo sapiens (human)	Potency	1.4036	0.8913	12.0676	28.1838	AID1459; AID1487
neuropeptide S receptor isoform A	Homo sapiens (human)	Potency	12.5893	0.0158	12.3113	615.5000	AID1461
Gamma-aminobutyric acid receptor subunit pi	Rattus norvegicus (Norway rat)	Potency	15.8489	1.0000	12.2248	31.6228	AID885
Voltage-dependent calcium channel gamma-2 subunit	Mus musculus (house mouse)	Potency	0.0300	0.0015	57.7890	15,848.9004	AID1259244
Interferon beta	Homo sapiens (human)	Potency	4.9974	0.0033	9.1582	39.8107	AID1347407; AID1347411; AID1645842
HLA class I histocompatibility antigen, B alpha chain	Homo sapiens (human)	Potency	6.1655	0.0123	8.9648	39.8107	AID1645842
Cellular tumor antigen p53	Homo sapiens (human)	Potency	0.2511	0.0023	19.5956	74.0614	AID651631; AID651743; AID720552
Gamma-aminobutyric acid receptor subunit beta-1	Rattus norvegicus (Norway rat)	Potency	15.8489	1.0000	12.2248	31.6228	AID885
Gamma-aminobutyric acid receptor subunit delta	Rattus norvegicus (Norway rat)	Potency	15.8489	1.0000	12.2248	31.6228	AID885
Gamma-aminobutyric acid receptor subunit gamma-2	Rattus norvegicus (Norway rat)	Potency	15.8489	1.0000	12.2248	31.6228	AID885
Glutamate receptor 2	Rattus norvegicus (Norway rat)	Potency	0.0300	0.0015	51.7393	15,848.9004	AID1259244
Gamma-aminobutyric acid receptor subunit alpha-5	Rattus norvegicus (Norway rat)	Potency	15.8489	1.0000	12.2248	31.6228	AID885
Gamma-aminobutyric acid receptor subunit alpha-3	Rattus norvegicus (Norway rat)	Potency	15.8489	1.0000	12.2248	31.6228	AID885
Gamma-aminobutyric acid receptor subunit gamma-1	Rattus norvegicus (Norway rat)	Potency	15.8489	1.0000	12.2248	31.6228	AID885
Gamma-aminobutyric acid receptor subunit alpha-2	Rattus norvegicus (Norway rat)	Potency	15.8489	1.0000	12.2248	31.6228	AID885
Gamma-aminobutyric acid receptor subunit alpha-4	Rattus norvegicus (Norway rat)	Potency	15.8489	1.0000	12.2248	31.6228	AID885
Gamma-aminobutyric acid receptor subunit gamma-3	Rattus norvegicus (Norway rat)	Potency	15.8489	1.0000	12.2248	31.6228	AID885
Gamma-aminobutyric acid receptor subunit alpha-6	Rattus norvegicus (Norway rat)	Potency	15.8489	1.0000	12.2248	31.6228	AID885
Histamine H2 receptor	Cavia porcellus (domestic guinea pig)	Potency	31.6228	0.0063	8.2350	39.8107	AID883
D(1A) dopamine receptor	Sus scrofa (pig)	Potency	0.0465	0.0037	8.1081	23.2809	AID2667
Spike glycoprotein	Severe acute respiratory syndrome-related coronavirus	Potency	0.0341	0.0096	10.5250	35.4813	AID1479148
Gamma-aminobutyric acid receptor subunit alpha-1	Rattus norvegicus (Norway rat)	Potency	15.8489	1.0000	12.2248	31.6228	AID885
Gamma-aminobutyric acid receptor subunit beta-3	Rattus norvegicus (Norway rat)	Potency	15.8489	1.0000	12.2248	31.6228	AID885
Gamma-aminobutyric acid receptor subunit beta-2	Rattus norvegicus (Norway rat)	Potency	15.8489	1.0000	12.2248	31.6228	AID885
Inositol monophosphatase 1	Rattus norvegicus (Norway rat)	Potency	28.3709	1.0000	10.4756	28.1838	AID1457
GABA theta subunit	Rattus norvegicus (Norway rat)	Potency	15.8489	1.0000	12.2248	31.6228	AID885
Inositol hexakisphosphate kinase 1	Homo sapiens (human)	Potency	6.1655	0.0123	8.9648	39.8107	AID1645842
Ataxin-2	Homo sapiens (human)	Potency	0.2512	0.0119	12.2221	68.7989	AID588378
Gamma-aminobutyric acid receptor subunit epsilon	Rattus norvegicus (Norway rat)	Potency	15.8489	1.0000	12.2248	31.6228	AID885
cytochrome P450 2C9, partial	Homo sapiens (human)	Potency	6.1655	0.0123	8.9648	39.8107	AID1645842
ATP-dependent phosphofructokinase	Trypanosoma brucei brucei TREU927	Potency	0.8492	0.0601	10.7453	37.9330	AID485368
[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)
ATP-binding cassette sub-family C member 3	Homo sapiens (human)	IC50 (µMol)	133.0000	0.6315	4.4531	9.3000	AID1473740
Multidrug resistance-associated protein 4	Homo sapiens (human)	IC50 (µMol)	133.0000	0.2000	5.6774	10.0000	AID1473741
Bile salt export pump	Homo sapiens (human)	IC50 (µMol)	8.0000	0.1100	7.1903	10.0000	AID1473738
Pancreatic triacylglycerol lipase	Sus scrofa (pig)	IC50 (µMol)	500.0000	0.0040	1.1024	6.5000	AID735972
NADH-ubiquinone oxidoreductase chain 1	Bos taurus (cattle)	IC50 (µMol)	0.0150	0.0030	0.0115	0.0257	AID1103506; AID1105529
NADH dehydrogenase [ubiquinone] flavoprotein 1, mitochondrial	Bos taurus (cattle)	IC50 (µMol)	0.0051	0.0002	0.0022	0.0051	AID144493
Cytochrome P450 2C19	Homo sapiens (human)	IC50 (µMol)	3.6486	0.0000	2.3983	10.0000	AID625247
5-hydroxytryptamine receptor 6	Homo sapiens (human)	IC50 (µMol)	0.8700	0.0017	0.8381	5.4200	AID625221
5-hydroxytryptamine receptor 6	Homo sapiens (human)	Ki	0.4040	0.0002	0.5229	10.0000	AID625221
Acyl carrier protein, mitochondrial	Bos taurus (cattle)	IC50 (µMol)	0.0051	0.0002	0.0022	0.0051	AID144493
Dihydroorotate dehydrogenase	Plasmodium falciparum (malaria parasite P. falciparum)	IC50 (µMol)	10.0000	0.2300	2.6443	9.4800	AID370979
Canalicular multispecific organic anion transporter 1	Homo sapiens (human)	IC50 (µMol)	133.0000	2.4100	6.3433	10.0000	AID1473739
[prepared from compound, protein, and bioassay information from National Library of Medicine (NLM), extracted Dec-2023]

Process	via Protein(s)	Taxonomy
xenobiotic metabolic process	ATP-binding cassette sub-family C member 3	Homo sapiens (human)
xenobiotic transmembrane transport	ATP-binding cassette sub-family C member 3	Homo sapiens (human)
bile acid and bile salt transport	ATP-binding cassette sub-family C member 3	Homo sapiens (human)
glucuronoside transport	ATP-binding cassette sub-family C member 3	Homo sapiens (human)
xenobiotic transport	ATP-binding cassette sub-family C member 3	Homo sapiens (human)
transmembrane transport	ATP-binding cassette sub-family C member 3	Homo sapiens (human)
leukotriene transport	ATP-binding cassette sub-family C member 3	Homo sapiens (human)
monoatomic anion transmembrane transport	ATP-binding cassette sub-family C member 3	Homo sapiens (human)
transport across blood-brain barrier	ATP-binding cassette sub-family C member 3	Homo sapiens (human)
prostaglandin secretion	Multidrug resistance-associated protein 4	Homo sapiens (human)
cilium assembly	Multidrug resistance-associated protein 4	Homo sapiens (human)
platelet degranulation	Multidrug resistance-associated protein 4	Homo sapiens (human)
xenobiotic metabolic process	Multidrug resistance-associated protein 4	Homo sapiens (human)
xenobiotic transmembrane transport	Multidrug resistance-associated protein 4	Homo sapiens (human)
bile acid and bile salt transport	Multidrug resistance-associated protein 4	Homo sapiens (human)
prostaglandin transport	Multidrug resistance-associated protein 4	Homo sapiens (human)
urate transport	Multidrug resistance-associated protein 4	Homo sapiens (human)
glutathione transmembrane transport	Multidrug resistance-associated protein 4	Homo sapiens (human)
transmembrane transport	Multidrug resistance-associated protein 4	Homo sapiens (human)
cAMP transport	Multidrug resistance-associated protein 4	Homo sapiens (human)
leukotriene transport	Multidrug resistance-associated protein 4	Homo sapiens (human)
monoatomic anion transmembrane transport	Multidrug resistance-associated protein 4	Homo sapiens (human)
export across plasma membrane	Multidrug resistance-associated protein 4	Homo sapiens (human)
transport across blood-brain barrier	Multidrug resistance-associated protein 4	Homo sapiens (human)
guanine nucleotide transmembrane transport	Multidrug resistance-associated protein 4	Homo sapiens (human)
fatty acid metabolic process	Bile salt export pump	Homo sapiens (human)
bile acid biosynthetic process	Bile salt export pump	Homo sapiens (human)
xenobiotic metabolic process	Bile salt export pump	Homo sapiens (human)
xenobiotic transmembrane transport	Bile salt export pump	Homo sapiens (human)
response to oxidative stress	Bile salt export pump	Homo sapiens (human)
bile acid metabolic process	Bile salt export pump	Homo sapiens (human)
response to organic cyclic compound	Bile salt export pump	Homo sapiens (human)
bile acid and bile salt transport	Bile salt export pump	Homo sapiens (human)
canalicular bile acid transport	Bile salt export pump	Homo sapiens (human)
protein ubiquitination	Bile salt export pump	Homo sapiens (human)
regulation of fatty acid beta-oxidation	Bile salt export pump	Homo sapiens (human)
carbohydrate transmembrane transport	Bile salt export pump	Homo sapiens (human)
bile acid signaling pathway	Bile salt export pump	Homo sapiens (human)
cholesterol homeostasis	Bile salt export pump	Homo sapiens (human)
response to estrogen	Bile salt export pump	Homo sapiens (human)
response to ethanol	Bile salt export pump	Homo sapiens (human)
xenobiotic export from cell	Bile salt export pump	Homo sapiens (human)
lipid homeostasis	Bile salt export pump	Homo sapiens (human)
phospholipid homeostasis	Bile salt export pump	Homo sapiens (human)
positive regulation of bile acid secretion	Bile salt export pump	Homo sapiens (human)
regulation of bile acid metabolic process	Bile salt export pump	Homo sapiens (human)
transmembrane transport	Bile salt export pump	Homo sapiens (human)
cell surface receptor signaling pathway via JAK-STAT	Interferon beta	Homo sapiens (human)
response to exogenous dsRNA	Interferon beta	Homo sapiens (human)
B cell activation involved in immune response	Interferon beta	Homo sapiens (human)
cell surface receptor signaling pathway	Interferon beta	Homo sapiens (human)
cell surface receptor signaling pathway via JAK-STAT	Interferon beta	Homo sapiens (human)
response to virus	Interferon beta	Homo sapiens (human)
positive regulation of autophagy	Interferon beta	Homo sapiens (human)
cytokine-mediated signaling pathway	Interferon beta	Homo sapiens (human)
natural killer cell activation	Interferon beta	Homo sapiens (human)
positive regulation of peptidyl-serine phosphorylation of STAT protein	Interferon beta	Homo sapiens (human)
cellular response to interferon-beta	Interferon beta	Homo sapiens (human)
B cell proliferation	Interferon beta	Homo sapiens (human)
negative regulation of viral genome replication	Interferon beta	Homo sapiens (human)
innate immune response	Interferon beta	Homo sapiens (human)
positive regulation of innate immune response	Interferon beta	Homo sapiens (human)
regulation of MHC class I biosynthetic process	Interferon beta	Homo sapiens (human)
negative regulation of T cell differentiation	Interferon beta	Homo sapiens (human)
positive regulation of transcription by RNA polymerase II	Interferon beta	Homo sapiens (human)
defense response to virus	Interferon beta	Homo sapiens (human)
type I interferon-mediated signaling pathway	Interferon beta	Homo sapiens (human)
neuron cellular homeostasis	Interferon beta	Homo sapiens (human)
cellular response to exogenous dsRNA	Interferon beta	Homo sapiens (human)
cellular response to virus	Interferon beta	Homo sapiens (human)
negative regulation of Lewy body formation	Interferon beta	Homo sapiens (human)
negative regulation of T-helper 2 cell cytokine production	Interferon beta	Homo sapiens (human)
positive regulation of apoptotic signaling pathway	Interferon beta	Homo sapiens (human)
response to exogenous dsRNA	Interferon beta	Homo sapiens (human)
B cell differentiation	Interferon beta	Homo sapiens (human)
natural killer cell activation involved in immune response	Interferon beta	Homo sapiens (human)
adaptive immune response	Interferon beta	Homo sapiens (human)
T cell activation involved in immune response	Interferon beta	Homo sapiens (human)
humoral immune response	Interferon beta	Homo sapiens (human)
positive regulation of T cell mediated cytotoxicity	HLA class I histocompatibility antigen, B alpha chain	Homo sapiens (human)
adaptive immune response	HLA class I histocompatibility antigen, B alpha chain	Homo sapiens (human)
antigen processing and presentation of endogenous peptide antigen via MHC class I via ER pathway, TAP-independent	HLA class I histocompatibility antigen, B alpha chain	Homo sapiens (human)
regulation of T cell anergy	HLA class I histocompatibility antigen, B alpha chain	Homo sapiens (human)
defense response	HLA class I histocompatibility antigen, B alpha chain	Homo sapiens (human)
immune response	HLA class I histocompatibility antigen, B alpha chain	Homo sapiens (human)
detection of bacterium	HLA class I histocompatibility antigen, B alpha chain	Homo sapiens (human)
regulation of interleukin-12 production	HLA class I histocompatibility antigen, B alpha chain	Homo sapiens (human)
regulation of interleukin-6 production	HLA class I histocompatibility antigen, B alpha chain	Homo sapiens (human)
protection from natural killer cell mediated cytotoxicity	HLA class I histocompatibility antigen, B alpha chain	Homo sapiens (human)
innate immune response	HLA class I histocompatibility antigen, B alpha chain	Homo sapiens (human)
regulation of dendritic cell differentiation	HLA class I histocompatibility antigen, B alpha chain	Homo sapiens (human)
antigen processing and presentation of endogenous peptide antigen via MHC class Ib	HLA class I histocompatibility antigen, B alpha chain	Homo sapiens (human)
mitochondrial respiratory chain complex I assembly	NADH-ubiquinone oxidoreductase chain 1	Bos taurus (cattle)
transmembrane transport	NADH-ubiquinone oxidoreductase chain 1	Bos taurus (cattle)
negative regulation of cell population proliferation	Cellular tumor antigen p53	Homo sapiens (human)
regulation of cell cycle	Cellular tumor antigen p53	Homo sapiens (human)
regulation of cell cycle G2/M phase transition	Cellular tumor antigen p53	Homo sapiens (human)
DNA damage response	Cellular tumor antigen p53	Homo sapiens (human)
ER overload response	Cellular tumor antigen p53	Homo sapiens (human)
cellular response to glucose starvation	Cellular tumor antigen p53	Homo sapiens (human)
intrinsic apoptotic signaling pathway in response to DNA damage by p53 class mediator	Cellular tumor antigen p53	Homo sapiens (human)
regulation of apoptotic process	Cellular tumor antigen p53	Homo sapiens (human)
positive regulation of transcription by RNA polymerase II	Cellular tumor antigen p53	Homo sapiens (human)
positive regulation of miRNA transcription	Cellular tumor antigen p53	Homo sapiens (human)
negative regulation of transcription by RNA polymerase II	Cellular tumor antigen p53	Homo sapiens (human)
mitophagy	Cellular tumor antigen p53	Homo sapiens (human)
in utero embryonic development	Cellular tumor antigen p53	Homo sapiens (human)
somitogenesis	Cellular tumor antigen p53	Homo sapiens (human)
release of cytochrome c from mitochondria	Cellular tumor antigen p53	Homo sapiens (human)
hematopoietic progenitor cell differentiation	Cellular tumor antigen p53	Homo sapiens (human)
T cell proliferation involved in immune response	Cellular tumor antigen p53	Homo sapiens (human)
B cell lineage commitment	Cellular tumor antigen p53	Homo sapiens (human)
T cell lineage commitment	Cellular tumor antigen p53	Homo sapiens (human)
response to ischemia	Cellular tumor antigen p53	Homo sapiens (human)
nucleotide-excision repair	Cellular tumor antigen p53	Homo sapiens (human)
double-strand break repair	Cellular tumor antigen p53	Homo sapiens (human)
regulation of DNA-templated transcription	Cellular tumor antigen p53	Homo sapiens (human)
regulation of transcription by RNA polymerase II	Cellular tumor antigen p53	Homo sapiens (human)
protein import into nucleus	Cellular tumor antigen p53	Homo sapiens (human)
autophagy	Cellular tumor antigen p53	Homo sapiens (human)
DNA damage response	Cellular tumor antigen p53	Homo sapiens (human)
DNA damage response, signal transduction by p53 class mediator resulting in cell cycle arrest	Cellular tumor antigen p53	Homo sapiens (human)
DNA damage response, signal transduction by p53 class mediator resulting in transcription of p21 class mediator	Cellular tumor antigen p53	Homo sapiens (human)
transforming growth factor beta receptor signaling pathway	Cellular tumor antigen p53	Homo sapiens (human)
Ras protein signal transduction	Cellular tumor antigen p53	Homo sapiens (human)
gastrulation	Cellular tumor antigen p53	Homo sapiens (human)
neuroblast proliferation	Cellular tumor antigen p53	Homo sapiens (human)
negative regulation of neuroblast proliferation	Cellular tumor antigen p53	Homo sapiens (human)
protein localization	Cellular tumor antigen p53	Homo sapiens (human)
negative regulation of DNA replication	Cellular tumor antigen p53	Homo sapiens (human)
negative regulation of cell population proliferation	Cellular tumor antigen p53	Homo sapiens (human)
determination of adult lifespan	Cellular tumor antigen p53	Homo sapiens (human)
mRNA transcription	Cellular tumor antigen p53	Homo sapiens (human)
rRNA transcription	Cellular tumor antigen p53	Homo sapiens (human)
response to salt stress	Cellular tumor antigen p53	Homo sapiens (human)
response to inorganic substance	Cellular tumor antigen p53	Homo sapiens (human)
response to X-ray	Cellular tumor antigen p53	Homo sapiens (human)
response to gamma radiation	Cellular tumor antigen p53	Homo sapiens (human)
positive regulation of gene expression	Cellular tumor antigen p53	Homo sapiens (human)
cardiac muscle cell apoptotic process	Cellular tumor antigen p53	Homo sapiens (human)
positive regulation of cardiac muscle cell apoptotic process	Cellular tumor antigen p53	Homo sapiens (human)
glial cell proliferation	Cellular tumor antigen p53	Homo sapiens (human)
viral process	Cellular tumor antigen p53	Homo sapiens (human)
glucose catabolic process to lactate via pyruvate	Cellular tumor antigen p53	Homo sapiens (human)
cerebellum development	Cellular tumor antigen p53	Homo sapiens (human)
negative regulation of cell growth	Cellular tumor antigen p53	Homo sapiens (human)
DNA damage response, signal transduction by p53 class mediator	Cellular tumor antigen p53	Homo sapiens (human)
negative regulation of transforming growth factor beta receptor signaling pathway	Cellular tumor antigen p53	Homo sapiens (human)
mitotic G1 DNA damage checkpoint signaling	Cellular tumor antigen p53	Homo sapiens (human)
negative regulation of telomere maintenance via telomerase	Cellular tumor antigen p53	Homo sapiens (human)
T cell differentiation in thymus	Cellular tumor antigen p53	Homo sapiens (human)
tumor necrosis factor-mediated signaling pathway	Cellular tumor antigen p53	Homo sapiens (human)
regulation of tissue remodeling	Cellular tumor antigen p53	Homo sapiens (human)
cellular response to UV	Cellular tumor antigen p53	Homo sapiens (human)
multicellular organism growth	Cellular tumor antigen p53	Homo sapiens (human)
positive regulation of mitochondrial membrane permeability	Cellular tumor antigen p53	Homo sapiens (human)
cellular response to glucose starvation	Cellular tumor antigen p53	Homo sapiens (human)
intrinsic apoptotic signaling pathway in response to DNA damage by p53 class mediator	Cellular tumor antigen p53	Homo sapiens (human)
positive regulation of apoptotic process	Cellular tumor antigen p53	Homo sapiens (human)
negative regulation of apoptotic process	Cellular tumor antigen p53	Homo sapiens (human)
entrainment of circadian clock by photoperiod	Cellular tumor antigen p53	Homo sapiens (human)
mitochondrial DNA repair	Cellular tumor antigen p53	Homo sapiens (human)
regulation of DNA damage response, signal transduction by p53 class mediator	Cellular tumor antigen p53	Homo sapiens (human)
positive regulation of neuron apoptotic process	Cellular tumor antigen p53	Homo sapiens (human)
transcription initiation-coupled chromatin remodeling	Cellular tumor antigen p53	Homo sapiens (human)
negative regulation of proteolysis	Cellular tumor antigen p53	Homo sapiens (human)
negative regulation of DNA-templated transcription	Cellular tumor antigen p53	Homo sapiens (human)
positive regulation of DNA-templated transcription	Cellular tumor antigen p53	Homo sapiens (human)
positive regulation of RNA polymerase II transcription preinitiation complex assembly	Cellular tumor antigen p53	Homo sapiens (human)
positive regulation of transcription by RNA polymerase II	Cellular tumor antigen p53	Homo sapiens (human)
response to antibiotic	Cellular tumor antigen p53	Homo sapiens (human)
fibroblast proliferation	Cellular tumor antigen p53	Homo sapiens (human)
negative regulation of fibroblast proliferation	Cellular tumor antigen p53	Homo sapiens (human)
circadian behavior	Cellular tumor antigen p53	Homo sapiens (human)
bone marrow development	Cellular tumor antigen p53	Homo sapiens (human)
embryonic organ development	Cellular tumor antigen p53	Homo sapiens (human)
positive regulation of peptidyl-tyrosine phosphorylation	Cellular tumor antigen p53	Homo sapiens (human)
protein stabilization	Cellular tumor antigen p53	Homo sapiens (human)
negative regulation of helicase activity	Cellular tumor antigen p53	Homo sapiens (human)
protein tetramerization	Cellular tumor antigen p53	Homo sapiens (human)
chromosome organization	Cellular tumor antigen p53	Homo sapiens (human)
neuron apoptotic process	Cellular tumor antigen p53	Homo sapiens (human)
regulation of cell cycle	Cellular tumor antigen p53	Homo sapiens (human)
hematopoietic stem cell differentiation	Cellular tumor antigen p53	Homo sapiens (human)
negative regulation of glial cell proliferation	Cellular tumor antigen p53	Homo sapiens (human)
type II interferon-mediated signaling pathway	Cellular tumor antigen p53	Homo sapiens (human)
cardiac septum morphogenesis	Cellular tumor antigen p53	Homo sapiens (human)
positive regulation of programmed necrotic cell death	Cellular tumor antigen p53	Homo sapiens (human)
protein-containing complex assembly	Cellular tumor antigen p53	Homo sapiens (human)
intrinsic apoptotic signaling pathway in response to endoplasmic reticulum stress	Cellular tumor antigen p53	Homo sapiens (human)
thymocyte apoptotic process	Cellular tumor antigen p53	Homo sapiens (human)
positive regulation of thymocyte apoptotic process	Cellular tumor antigen p53	Homo sapiens (human)
necroptotic process	Cellular tumor antigen p53	Homo sapiens (human)
cellular response to hypoxia	Cellular tumor antigen p53	Homo sapiens (human)
cellular response to xenobiotic stimulus	Cellular tumor antigen p53	Homo sapiens (human)
cellular response to ionizing radiation	Cellular tumor antigen p53	Homo sapiens (human)
cellular response to gamma radiation	Cellular tumor antigen p53	Homo sapiens (human)
cellular response to UV-C	Cellular tumor antigen p53	Homo sapiens (human)
stem cell proliferation	Cellular tumor antigen p53	Homo sapiens (human)
signal transduction by p53 class mediator	Cellular tumor antigen p53	Homo sapiens (human)
intrinsic apoptotic signaling pathway by p53 class mediator	Cellular tumor antigen p53	Homo sapiens (human)
reactive oxygen species metabolic process	Cellular tumor antigen p53	Homo sapiens (human)
cellular response to actinomycin D	Cellular tumor antigen p53	Homo sapiens (human)
positive regulation of release of cytochrome c from mitochondria	Cellular tumor antigen p53	Homo sapiens (human)
cellular senescence	Cellular tumor antigen p53	Homo sapiens (human)
replicative senescence	Cellular tumor antigen p53	Homo sapiens (human)
oxidative stress-induced premature senescence	Cellular tumor antigen p53	Homo sapiens (human)
intrinsic apoptotic signaling pathway	Cellular tumor antigen p53	Homo sapiens (human)
oligodendrocyte apoptotic process	Cellular tumor antigen p53	Homo sapiens (human)
positive regulation of execution phase of apoptosis	Cellular tumor antigen p53	Homo sapiens (human)
negative regulation of mitophagy	Cellular tumor antigen p53	Homo sapiens (human)
regulation of mitochondrial membrane permeability involved in apoptotic process	Cellular tumor antigen p53	Homo sapiens (human)
regulation of intrinsic apoptotic signaling pathway by p53 class mediator	Cellular tumor antigen p53	Homo sapiens (human)
positive regulation of miRNA transcription	Cellular tumor antigen p53	Homo sapiens (human)
negative regulation of G1 to G0 transition	Cellular tumor antigen p53	Homo sapiens (human)
negative regulation of miRNA processing	Cellular tumor antigen p53	Homo sapiens (human)
negative regulation of glucose catabolic process to lactate via pyruvate	Cellular tumor antigen p53	Homo sapiens (human)
negative regulation of pentose-phosphate shunt	Cellular tumor antigen p53	Homo sapiens (human)
intrinsic apoptotic signaling pathway in response to hypoxia	Cellular tumor antigen p53	Homo sapiens (human)
regulation of fibroblast apoptotic process	Cellular tumor antigen p53	Homo sapiens (human)
negative regulation of reactive oxygen species metabolic process	Cellular tumor antigen p53	Homo sapiens (human)
positive regulation of reactive oxygen species metabolic process	Cellular tumor antigen p53	Homo sapiens (human)
negative regulation of stem cell proliferation	Cellular tumor antigen p53	Homo sapiens (human)
positive regulation of cellular senescence	Cellular tumor antigen p53	Homo sapiens (human)
positive regulation of intrinsic apoptotic signaling pathway	Cellular tumor antigen p53	Homo sapiens (human)
mitochondrial electron transport, NADH to ubiquinone	NADH dehydrogenase [ubiquinone] flavoprotein 1, mitochondrial	Bos taurus (cattle)
transmembrane transport	NADH dehydrogenase [ubiquinone] flavoprotein 1, mitochondrial	Bos taurus (cattle)
long-chain fatty acid metabolic process	Cytochrome P450 2C19	Homo sapiens (human)
xenobiotic metabolic process	Cytochrome P450 2C19	Homo sapiens (human)
steroid metabolic process	Cytochrome P450 2C19	Homo sapiens (human)
monoterpenoid metabolic process	Cytochrome P450 2C19	Homo sapiens (human)
epoxygenase P450 pathway	Cytochrome P450 2C19	Homo sapiens (human)
xenobiotic catabolic process	Cytochrome P450 2C19	Homo sapiens (human)
omega-hydroxylase P450 pathway	Cytochrome P450 2C19	Homo sapiens (human)
cerebral cortex cell migration	5-hydroxytryptamine receptor 6	Homo sapiens (human)
positive regulation of TOR signaling	5-hydroxytryptamine receptor 6	Homo sapiens (human)
G protein-coupled serotonin receptor signaling pathway	5-hydroxytryptamine receptor 6	Homo sapiens (human)
chemical synaptic transmission	5-hydroxytryptamine receptor 6	Homo sapiens (human)
adenylate cyclase-modulating G protein-coupled receptor signaling pathway	5-hydroxytryptamine receptor 6	Homo sapiens (human)
G protein-coupled receptor signaling pathway, coupled to cyclic nucleotide second messenger	5-hydroxytryptamine receptor 6	Homo sapiens (human)
mitochondrial electron transport, NADH to ubiquinone	Acyl carrier protein, mitochondrial	Bos taurus (cattle)
fatty acid biosynthetic process	Acyl carrier protein, mitochondrial	Bos taurus (cattle)
mitochondrial respiratory chain complex I assembly	Acyl carrier protein, mitochondrial	Bos taurus (cattle)
[2Fe-2S] cluster assembly	Acyl carrier protein, mitochondrial	Bos taurus (cattle)
transmembrane transport	Acyl carrier protein, mitochondrial	Bos taurus (cattle)
inositol phosphate metabolic process	Inositol hexakisphosphate kinase 1	Homo sapiens (human)
phosphatidylinositol phosphate biosynthetic process	Inositol hexakisphosphate kinase 1	Homo sapiens (human)
negative regulation of cold-induced thermogenesis	Inositol hexakisphosphate kinase 1	Homo sapiens (human)
inositol phosphate biosynthetic process	Inositol hexakisphosphate kinase 1	Homo sapiens (human)
xenobiotic metabolic process	Canalicular multispecific organic anion transporter 1	Homo sapiens (human)
xenobiotic transmembrane transport	Canalicular multispecific organic anion transporter 1	Homo sapiens (human)
negative regulation of gene expression	Canalicular multispecific organic anion transporter 1	Homo sapiens (human)
bile acid and bile salt transport	Canalicular multispecific organic anion transporter 1	Homo sapiens (human)
bilirubin transport	Canalicular multispecific organic anion transporter 1	Homo sapiens (human)
heme catabolic process	Canalicular multispecific organic anion transporter 1	Homo sapiens (human)
xenobiotic export from cell	Canalicular multispecific organic anion transporter 1	Homo sapiens (human)
transmembrane transport	Canalicular multispecific organic anion transporter 1	Homo sapiens (human)
transepithelial transport	Canalicular multispecific organic anion transporter 1	Homo sapiens (human)
leukotriene transport	Canalicular multispecific organic anion transporter 1	Homo sapiens (human)
monoatomic anion transmembrane transport	Canalicular multispecific organic anion transporter 1	Homo sapiens (human)
transport across blood-brain barrier	Canalicular multispecific organic anion transporter 1	Homo sapiens (human)
xenobiotic transport across blood-brain barrier	Canalicular multispecific organic anion transporter 1	Homo sapiens (human)
negative regulation of receptor internalization	Ataxin-2	Homo sapiens (human)
regulation of translation	Ataxin-2	Homo sapiens (human)
RNA metabolic process	Ataxin-2	Homo sapiens (human)
P-body assembly	Ataxin-2	Homo sapiens (human)
stress granule assembly	Ataxin-2	Homo sapiens (human)
RNA transport	Ataxin-2	Homo sapiens (human)
[Information is prepared from geneontology information from the June-17-2024 release]

Process	via Protein(s)	Taxonomy
ATP binding	ATP-binding cassette sub-family C member 3	Homo sapiens (human)
ABC-type xenobiotic transporter activity	ATP-binding cassette sub-family C member 3	Homo sapiens (human)
glucuronoside transmembrane transporter activity	ATP-binding cassette sub-family C member 3	Homo sapiens (human)
ABC-type glutathione S-conjugate transporter activity	ATP-binding cassette sub-family C member 3	Homo sapiens (human)
ABC-type bile acid transporter activity	ATP-binding cassette sub-family C member 3	Homo sapiens (human)
ATP hydrolysis activity	ATP-binding cassette sub-family C member 3	Homo sapiens (human)
ATPase-coupled transmembrane transporter activity	ATP-binding cassette sub-family C member 3	Homo sapiens (human)
xenobiotic transmembrane transporter activity	ATP-binding cassette sub-family C member 3	Homo sapiens (human)
ATPase-coupled inorganic anion transmembrane transporter activity	ATP-binding cassette sub-family C member 3	Homo sapiens (human)
icosanoid transmembrane transporter activity	ATP-binding cassette sub-family C member 3	Homo sapiens (human)
ABC-type transporter activity	ATP-binding cassette sub-family C member 3	Homo sapiens (human)
guanine nucleotide transmembrane transporter activity	Multidrug resistance-associated protein 4	Homo sapiens (human)
protein binding	Multidrug resistance-associated protein 4	Homo sapiens (human)
ATP binding	Multidrug resistance-associated protein 4	Homo sapiens (human)
ABC-type xenobiotic transporter activity	Multidrug resistance-associated protein 4	Homo sapiens (human)
prostaglandin transmembrane transporter activity	Multidrug resistance-associated protein 4	Homo sapiens (human)
urate transmembrane transporter activity	Multidrug resistance-associated protein 4	Homo sapiens (human)
purine nucleotide transmembrane transporter activity	Multidrug resistance-associated protein 4	Homo sapiens (human)
ABC-type glutathione S-conjugate transporter activity	Multidrug resistance-associated protein 4	Homo sapiens (human)
ABC-type bile acid transporter activity	Multidrug resistance-associated protein 4	Homo sapiens (human)
efflux transmembrane transporter activity	Multidrug resistance-associated protein 4	Homo sapiens (human)
15-hydroxyprostaglandin dehydrogenase (NAD+) activity	Multidrug resistance-associated protein 4	Homo sapiens (human)
ATP hydrolysis activity	Multidrug resistance-associated protein 4	Homo sapiens (human)
glutathione transmembrane transporter activity	Multidrug resistance-associated protein 4	Homo sapiens (human)
ATPase-coupled transmembrane transporter activity	Multidrug resistance-associated protein 4	Homo sapiens (human)
xenobiotic transmembrane transporter activity	Multidrug resistance-associated protein 4	Homo sapiens (human)
ATPase-coupled inorganic anion transmembrane transporter activity	Multidrug resistance-associated protein 4	Homo sapiens (human)
ABC-type transporter activity	Multidrug resistance-associated protein 4	Homo sapiens (human)
protein binding	Bile salt export pump	Homo sapiens (human)
ATP binding	Bile salt export pump	Homo sapiens (human)
ABC-type xenobiotic transporter activity	Bile salt export pump	Homo sapiens (human)
bile acid transmembrane transporter activity	Bile salt export pump	Homo sapiens (human)
canalicular bile acid transmembrane transporter activity	Bile salt export pump	Homo sapiens (human)
carbohydrate transmembrane transporter activity	Bile salt export pump	Homo sapiens (human)
ABC-type bile acid transporter activity	Bile salt export pump	Homo sapiens (human)
ATP hydrolysis activity	Bile salt export pump	Homo sapiens (human)
cytokine activity	Interferon beta	Homo sapiens (human)
cytokine receptor binding	Interferon beta	Homo sapiens (human)
type I interferon receptor binding	Interferon beta	Homo sapiens (human)
protein binding	Interferon beta	Homo sapiens (human)
chloramphenicol O-acetyltransferase activity	Interferon beta	Homo sapiens (human)
TAP binding	HLA class I histocompatibility antigen, B alpha chain	Homo sapiens (human)
signaling receptor binding	HLA class I histocompatibility antigen, B alpha chain	Homo sapiens (human)
protein binding	HLA class I histocompatibility antigen, B alpha chain	Homo sapiens (human)
peptide antigen binding	HLA class I histocompatibility antigen, B alpha chain	Homo sapiens (human)
TAP binding	HLA class I histocompatibility antigen, B alpha chain	Homo sapiens (human)
protein-folding chaperone binding	HLA class I histocompatibility antigen, B alpha chain	Homo sapiens (human)
NADH dehydrogenase (ubiquinone) activity	NADH-ubiquinone oxidoreductase chain 1	Bos taurus (cattle)
transcription cis-regulatory region binding	Cellular tumor antigen p53	Homo sapiens (human)
RNA polymerase II cis-regulatory region sequence-specific DNA binding	Cellular tumor antigen p53	Homo sapiens (human)
DNA-binding transcription factor activity, RNA polymerase II-specific	Cellular tumor antigen p53	Homo sapiens (human)
cis-regulatory region sequence-specific DNA binding	Cellular tumor antigen p53	Homo sapiens (human)
core promoter sequence-specific DNA binding	Cellular tumor antigen p53	Homo sapiens (human)
TFIID-class transcription factor complex binding	Cellular tumor antigen p53	Homo sapiens (human)
DNA-binding transcription repressor activity, RNA polymerase II-specific	Cellular tumor antigen p53	Homo sapiens (human)
DNA-binding transcription activator activity, RNA polymerase II-specific	Cellular tumor antigen p53	Homo sapiens (human)
protease binding	Cellular tumor antigen p53	Homo sapiens (human)
p53 binding	Cellular tumor antigen p53	Homo sapiens (human)
DNA binding	Cellular tumor antigen p53	Homo sapiens (human)
chromatin binding	Cellular tumor antigen p53	Homo sapiens (human)
DNA-binding transcription factor activity	Cellular tumor antigen p53	Homo sapiens (human)
mRNA 3'-UTR binding	Cellular tumor antigen p53	Homo sapiens (human)
copper ion binding	Cellular tumor antigen p53	Homo sapiens (human)
protein binding	Cellular tumor antigen p53	Homo sapiens (human)
zinc ion binding	Cellular tumor antigen p53	Homo sapiens (human)
enzyme binding	Cellular tumor antigen p53	Homo sapiens (human)
receptor tyrosine kinase binding	Cellular tumor antigen p53	Homo sapiens (human)
ubiquitin protein ligase binding	Cellular tumor antigen p53	Homo sapiens (human)
histone deacetylase regulator activity	Cellular tumor antigen p53	Homo sapiens (human)
ATP-dependent DNA/DNA annealing activity	Cellular tumor antigen p53	Homo sapiens (human)
identical protein binding	Cellular tumor antigen p53	Homo sapiens (human)
histone deacetylase binding	Cellular tumor antigen p53	Homo sapiens (human)
protein heterodimerization activity	Cellular tumor antigen p53	Homo sapiens (human)
protein-folding chaperone binding	Cellular tumor antigen p53	Homo sapiens (human)
protein phosphatase 2A binding	Cellular tumor antigen p53	Homo sapiens (human)
RNA polymerase II-specific DNA-binding transcription factor binding	Cellular tumor antigen p53	Homo sapiens (human)
14-3-3 protein binding	Cellular tumor antigen p53	Homo sapiens (human)
MDM2/MDM4 family protein binding	Cellular tumor antigen p53	Homo sapiens (human)
disordered domain specific binding	Cellular tumor antigen p53	Homo sapiens (human)
general transcription initiation factor binding	Cellular tumor antigen p53	Homo sapiens (human)
molecular function activator activity	Cellular tumor antigen p53	Homo sapiens (human)
promoter-specific chromatin binding	Cellular tumor antigen p53	Homo sapiens (human)
NADH dehydrogenase (ubiquinone) activity	NADH dehydrogenase [ubiquinone] flavoprotein 1, mitochondrial	Bos taurus (cattle)
FMN binding	NADH dehydrogenase [ubiquinone] flavoprotein 1, mitochondrial	Bos taurus (cattle)
metal ion binding	NADH dehydrogenase [ubiquinone] flavoprotein 1, mitochondrial	Bos taurus (cattle)
NAD binding	NADH dehydrogenase [ubiquinone] flavoprotein 1, mitochondrial	Bos taurus (cattle)
4 iron, 4 sulfur cluster binding	NADH dehydrogenase [ubiquinone] flavoprotein 1, mitochondrial	Bos taurus (cattle)
monooxygenase activity	Cytochrome P450 2C19	Homo sapiens (human)
iron ion binding	Cytochrome P450 2C19	Homo sapiens (human)
steroid hydroxylase activity	Cytochrome P450 2C19	Homo sapiens (human)
oxidoreductase activity	Cytochrome P450 2C19	Homo sapiens (human)
(S)-limonene 6-monooxygenase activity	Cytochrome P450 2C19	Homo sapiens (human)
(S)-limonene 7-monooxygenase activity	Cytochrome P450 2C19	Homo sapiens (human)
oxygen binding	Cytochrome P450 2C19	Homo sapiens (human)
enzyme binding	Cytochrome P450 2C19	Homo sapiens (human)
heme binding	Cytochrome P450 2C19	Homo sapiens (human)
(R)-limonene 6-monooxygenase activity	Cytochrome P450 2C19	Homo sapiens (human)
aromatase activity	Cytochrome P450 2C19	Homo sapiens (human)
long-chain fatty acid omega-1 hydroxylase activity	Cytochrome P450 2C19	Homo sapiens (human)
arachidonic acid epoxygenase activity	Cytochrome P450 2C19	Homo sapiens (human)
oxidoreductase activity, acting on paired donors, with incorporation or reduction of molecular oxygen, reduced flavin or flavoprotein as one donor, and incorporation of one atom of oxygen	Cytochrome P450 2C19	Homo sapiens (human)
histamine receptor activity	5-hydroxytryptamine receptor 6	Homo sapiens (human)
protein binding	5-hydroxytryptamine receptor 6	Homo sapiens (human)
neurotransmitter receptor activity	5-hydroxytryptamine receptor 6	Homo sapiens (human)
G protein-coupled serotonin receptor activity	5-hydroxytryptamine receptor 6	Homo sapiens (human)
fatty acid binding	Acyl carrier protein, mitochondrial	Bos taurus (cattle)
NADH dehydrogenase (ubiquinone) activity	Acyl carrier protein, mitochondrial	Bos taurus (cattle)
oxidoreductase activity	Acyl carrier protein, mitochondrial	Bos taurus (cattle)
mitochondrial large ribosomal subunit binding	Acyl carrier protein, mitochondrial	Bos taurus (cattle)
inositol-1,3,4,5,6-pentakisphosphate kinase activity	Inositol hexakisphosphate kinase 1	Homo sapiens (human)
inositol hexakisphosphate kinase activity	Inositol hexakisphosphate kinase 1	Homo sapiens (human)
inositol heptakisphosphate kinase activity	Inositol hexakisphosphate kinase 1	Homo sapiens (human)
inositol hexakisphosphate 5-kinase activity	Inositol hexakisphosphate kinase 1	Homo sapiens (human)
protein binding	Inositol hexakisphosphate kinase 1	Homo sapiens (human)
ATP binding	Inositol hexakisphosphate kinase 1	Homo sapiens (human)
inositol hexakisphosphate 1-kinase activity	Inositol hexakisphosphate kinase 1	Homo sapiens (human)
inositol hexakisphosphate 3-kinase activity	Inositol hexakisphosphate kinase 1	Homo sapiens (human)
inositol 5-diphosphate pentakisphosphate 5-kinase activity	Inositol hexakisphosphate kinase 1	Homo sapiens (human)
inositol diphosphate tetrakisphosphate kinase activity	Inositol hexakisphosphate kinase 1	Homo sapiens (human)
protein binding	Canalicular multispecific organic anion transporter 1	Homo sapiens (human)
ATP binding	Canalicular multispecific organic anion transporter 1	Homo sapiens (human)
organic anion transmembrane transporter activity	Canalicular multispecific organic anion transporter 1	Homo sapiens (human)
ABC-type xenobiotic transporter activity	Canalicular multispecific organic anion transporter 1	Homo sapiens (human)
bilirubin transmembrane transporter activity	Canalicular multispecific organic anion transporter 1	Homo sapiens (human)
ABC-type glutathione S-conjugate transporter activity	Canalicular multispecific organic anion transporter 1	Homo sapiens (human)
ATP hydrolysis activity	Canalicular multispecific organic anion transporter 1	Homo sapiens (human)
ATPase-coupled transmembrane transporter activity	Canalicular multispecific organic anion transporter 1	Homo sapiens (human)
xenobiotic transmembrane transporter activity	Canalicular multispecific organic anion transporter 1	Homo sapiens (human)
ATPase-coupled inorganic anion transmembrane transporter activity	Canalicular multispecific organic anion transporter 1	Homo sapiens (human)
ABC-type transporter activity	Canalicular multispecific organic anion transporter 1	Homo sapiens (human)
RNA binding	Ataxin-2	Homo sapiens (human)
epidermal growth factor receptor binding	Ataxin-2	Homo sapiens (human)
protein binding	Ataxin-2	Homo sapiens (human)
mRNA binding	Ataxin-2	Homo sapiens (human)
[Information is prepared from geneontology information from the June-17-2024 release]

Process	via Protein(s)	Taxonomy
plasma membrane	ATP-binding cassette sub-family C member 3	Homo sapiens (human)
basal plasma membrane	ATP-binding cassette sub-family C member 3	Homo sapiens (human)
basolateral plasma membrane	ATP-binding cassette sub-family C member 3	Homo sapiens (human)
membrane	ATP-binding cassette sub-family C member 3	Homo sapiens (human)
nucleolus	Multidrug resistance-associated protein 4	Homo sapiens (human)
Golgi apparatus	Multidrug resistance-associated protein 4	Homo sapiens (human)
plasma membrane	Multidrug resistance-associated protein 4	Homo sapiens (human)
membrane	Multidrug resistance-associated protein 4	Homo sapiens (human)
basolateral plasma membrane	Multidrug resistance-associated protein 4	Homo sapiens (human)
apical plasma membrane	Multidrug resistance-associated protein 4	Homo sapiens (human)
platelet dense granule membrane	Multidrug resistance-associated protein 4	Homo sapiens (human)
external side of apical plasma membrane	Multidrug resistance-associated protein 4	Homo sapiens (human)
plasma membrane	Multidrug resistance-associated protein 4	Homo sapiens (human)
basolateral plasma membrane	Bile salt export pump	Homo sapiens (human)
Golgi membrane	Bile salt export pump	Homo sapiens (human)
endosome	Bile salt export pump	Homo sapiens (human)
plasma membrane	Bile salt export pump	Homo sapiens (human)
cell surface	Bile salt export pump	Homo sapiens (human)
apical plasma membrane	Bile salt export pump	Homo sapiens (human)
intercellular canaliculus	Bile salt export pump	Homo sapiens (human)
intracellular canaliculus	Bile salt export pump	Homo sapiens (human)
recycling endosome	Bile salt export pump	Homo sapiens (human)
recycling endosome membrane	Bile salt export pump	Homo sapiens (human)
extracellular exosome	Bile salt export pump	Homo sapiens (human)
membrane	Bile salt export pump	Homo sapiens (human)
extracellular space	Interferon beta	Homo sapiens (human)
extracellular region	Interferon beta	Homo sapiens (human)
Golgi membrane	HLA class I histocompatibility antigen, B alpha chain	Homo sapiens (human)
endoplasmic reticulum	HLA class I histocompatibility antigen, B alpha chain	Homo sapiens (human)
Golgi apparatus	HLA class I histocompatibility antigen, B alpha chain	Homo sapiens (human)
plasma membrane	HLA class I histocompatibility antigen, B alpha chain	Homo sapiens (human)
cell surface	HLA class I histocompatibility antigen, B alpha chain	Homo sapiens (human)
ER to Golgi transport vesicle membrane	HLA class I histocompatibility antigen, B alpha chain	Homo sapiens (human)
membrane	HLA class I histocompatibility antigen, B alpha chain	Homo sapiens (human)
secretory granule membrane	HLA class I histocompatibility antigen, B alpha chain	Homo sapiens (human)
phagocytic vesicle membrane	HLA class I histocompatibility antigen, B alpha chain	Homo sapiens (human)
early endosome membrane	HLA class I histocompatibility antigen, B alpha chain	Homo sapiens (human)
recycling endosome membrane	HLA class I histocompatibility antigen, B alpha chain	Homo sapiens (human)
extracellular exosome	HLA class I histocompatibility antigen, B alpha chain	Homo sapiens (human)
lumenal side of endoplasmic reticulum membrane	HLA class I histocompatibility antigen, B alpha chain	Homo sapiens (human)
MHC class I protein complex	HLA class I histocompatibility antigen, B alpha chain	Homo sapiens (human)
extracellular space	HLA class I histocompatibility antigen, B alpha chain	Homo sapiens (human)
external side of plasma membrane	HLA class I histocompatibility antigen, B alpha chain	Homo sapiens (human)
mitochondrial inner membrane	NADH-ubiquinone oxidoreductase chain 1	Bos taurus (cattle)
respiratory chain complex I	NADH-ubiquinone oxidoreductase chain 1	Bos taurus (cattle)
nuclear body	Cellular tumor antigen p53	Homo sapiens (human)
nucleus	Cellular tumor antigen p53	Homo sapiens (human)
nucleoplasm	Cellular tumor antigen p53	Homo sapiens (human)
replication fork	Cellular tumor antigen p53	Homo sapiens (human)
nucleolus	Cellular tumor antigen p53	Homo sapiens (human)
cytoplasm	Cellular tumor antigen p53	Homo sapiens (human)
mitochondrion	Cellular tumor antigen p53	Homo sapiens (human)
mitochondrial matrix	Cellular tumor antigen p53	Homo sapiens (human)
endoplasmic reticulum	Cellular tumor antigen p53	Homo sapiens (human)
centrosome	Cellular tumor antigen p53	Homo sapiens (human)
cytosol	Cellular tumor antigen p53	Homo sapiens (human)
nuclear matrix	Cellular tumor antigen p53	Homo sapiens (human)
PML body	Cellular tumor antigen p53	Homo sapiens (human)
transcription repressor complex	Cellular tumor antigen p53	Homo sapiens (human)
site of double-strand break	Cellular tumor antigen p53	Homo sapiens (human)
germ cell nucleus	Cellular tumor antigen p53	Homo sapiens (human)
chromatin	Cellular tumor antigen p53	Homo sapiens (human)
transcription regulator complex	Cellular tumor antigen p53	Homo sapiens (human)
protein-containing complex	Cellular tumor antigen p53	Homo sapiens (human)
plasma membrane	Gamma-aminobutyric acid receptor subunit gamma-2	Rattus norvegicus (Norway rat)
plasma membrane	Glutamate receptor 2	Rattus norvegicus (Norway rat)
mitochondrial inner membrane	NADH dehydrogenase [ubiquinone] flavoprotein 1, mitochondrial	Bos taurus (cattle)
respiratory chain complex I	NADH dehydrogenase [ubiquinone] flavoprotein 1, mitochondrial	Bos taurus (cattle)
endoplasmic reticulum membrane	Cytochrome P450 2C19	Homo sapiens (human)
plasma membrane	Cytochrome P450 2C19	Homo sapiens (human)
intracellular membrane-bounded organelle	Cytochrome P450 2C19	Homo sapiens (human)
intracellular membrane-bounded organelle	Cytochrome P450 2C19	Homo sapiens (human)
cytoplasm	Cytochrome P450 2C19	Homo sapiens (human)
plasma membrane	5-hydroxytryptamine receptor 6	Homo sapiens (human)
cilium	5-hydroxytryptamine receptor 6	Homo sapiens (human)
synapse	5-hydroxytryptamine receptor 6	Homo sapiens (human)
dendrite	5-hydroxytryptamine receptor 6	Homo sapiens (human)
plasma membrane	5-hydroxytryptamine receptor 6	Homo sapiens (human)
mitochondrial matrix	Acyl carrier protein, mitochondrial	Bos taurus (cattle)
mitochondrial membrane	Acyl carrier protein, mitochondrial	Bos taurus (cattle)
respiratory chain complex I	Acyl carrier protein, mitochondrial	Bos taurus (cattle)
virion membrane	Spike glycoprotein	Severe acute respiratory syndrome-related coronavirus
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)
fibrillar center	Inositol hexakisphosphate kinase 1	Homo sapiens (human)
nucleoplasm	Inositol hexakisphosphate kinase 1	Homo sapiens (human)
cytosol	Inositol hexakisphosphate kinase 1	Homo sapiens (human)
nucleus	Inositol hexakisphosphate kinase 1	Homo sapiens (human)
cytoplasm	Inositol hexakisphosphate kinase 1	Homo sapiens (human)
plasma membrane	Canalicular multispecific organic anion transporter 1	Homo sapiens (human)
cell surface	Canalicular multispecific organic anion transporter 1	Homo sapiens (human)
apical plasma membrane	Canalicular multispecific organic anion transporter 1	Homo sapiens (human)
intercellular canaliculus	Canalicular multispecific organic anion transporter 1	Homo sapiens (human)
apical plasma membrane	Canalicular multispecific organic anion transporter 1	Homo sapiens (human)
cytoplasm	Ataxin-2	Homo sapiens (human)
Golgi apparatus	Ataxin-2	Homo sapiens (human)
trans-Golgi network	Ataxin-2	Homo sapiens (human)
cytosol	Ataxin-2	Homo sapiens (human)
cytoplasmic stress granule	Ataxin-2	Homo sapiens (human)
membrane	Ataxin-2	Homo sapiens (human)
perinuclear region of cytoplasm	Ataxin-2	Homo sapiens (human)
ribonucleoprotein complex	Ataxin-2	Homo sapiens (human)
cytoplasmic stress granule	Ataxin-2	Homo sapiens (human)
[Information is prepared from geneontology information from the June-17-2024 release]

Bioassays (366)

Assay ID	Title	Year	Journal	Article
AID1347410	qHTS for inhibitors of adenylyl cyclases using a fission yeast platform: a pilot screen against the NCATS LOPAC library	2019	Cellular signalling, 08, Volume: 60	A fission yeast platform for heterologous expression of mammalian adenylyl cyclases and high throughput screening.
AID588349	qHTS for Inhibitors of ATXN expression: Validation of Cytotoxic Assay
AID1347414	qHTS to identify inhibitors of the type 1 interferon - major histocompatibility complex class I in skeletal muscle: Secondary screen by immunofluorescence	2020	ACS chemical biology, 07-17, Volume: 15, Issue:7	High-Throughput Screening to Identify Inhibitors of the Type I Interferon-Major Histocompatibility Complex Class I Pathway in Skeletal Muscle.
AID1347405	qHTS to identify inhibitors of the type 1 interferon - major histocompatibility complex class I in skeletal muscle: primary screen against the NCATS LOPAC collection	2020	ACS chemical biology, 07-17, Volume: 15, Issue:7	High-Throughput Screening to Identify Inhibitors of the Type I Interferon-Major Histocompatibility Complex Class I Pathway in Skeletal Muscle.
AID1347412	qHTS assay to identify inhibitors of the type 1 interferon - major histocompatibility complex class I in skeletal muscle: Counter screen cell viability and HiBit confirmation	2020	ACS chemical biology, 07-17, Volume: 15, Issue:7	High-Throughput Screening to Identify Inhibitors of the Type I Interferon-Major Histocompatibility Complex Class I Pathway in Skeletal Muscle.
AID1347059	CD47-SIRPalpha protein protein interaction - Alpha assay qHTS validation	2019	PloS one, , Volume: 14, Issue:7	Quantitative high-throughput screening assays for the discovery and development of SIRPα-CD47 interaction inhibitors.
AID1347151	Optimization of GU AMC qHTS for Zika virus inhibitors: Unlinked NS2B-NS3 protease assay	2020	Proceedings of the National Academy of Sciences of the United States of America, 12-08, Volume: 117, Issue:49	Therapeutic candidates for the Zika virus identified by a high-throughput screen for Zika protease inhibitors.
AID1347045	Natriuretic polypeptide receptor (hNpr1) antagonism - Pilot counterscreen GloSensor control cell line	2019	Science translational medicine, 07-10, Volume: 11, Issue:500	Inhibition of natriuretic peptide receptor 1 reduces itch in mice.
AID1347083	qHTS for Inhibitors of the Functional Ribonucleoprotein Complex (vRNP) of Lassa (LASV) Arenavirus: Viability assay - alamar blue signal for LASV Primary Screen	2020	Antiviral research, 01, Volume: 173	A cell-based, infectious-free, platform to identify inhibitors of lassa virus ribonucleoprotein (vRNP) activity.
AID1347058	CD47-SIRPalpha protein protein interaction - HTRF assay qHTS validation	2019	PloS one, , Volume: 14, Issue:7	Quantitative high-throughput screening assays for the discovery and development of SIRPα-CD47 interaction inhibitors.
AID504836	Inducers of the Endoplasmic Reticulum Stress Response (ERSR) in human glioma: Validation	2002	The Journal of biological chemistry, Apr-19, Volume: 277, Issue:16	Sustained ER Ca2+ depletion suppresses protein synthesis and induces activation-enhanced cell death in mast cells.
AID1347057	CD47-SIRPalpha protein protein interaction - LANCE assay qHTS validation	2019	PloS one, , Volume: 14, Issue:7	Quantitative high-throughput screening assays for the discovery and development of SIRPα-CD47 interaction inhibitors.
AID1347050	Natriuretic polypeptide receptor (hNpr2) antagonism - Pilot subtype selectivity assay	2019	Science translational medicine, 07-10, Volume: 11, Issue:500	Inhibition of natriuretic peptide receptor 1 reduces itch in mice.
AID504812	Inverse Agonists of the Thyroid Stimulating Hormone Receptor: HTS campaign	2010	Endocrinology, Jul, Volume: 151, Issue:7	A small molecule inverse agonist for the human thyroid-stimulating hormone receptor.
AID1508630	Primary qHTS for small molecule stabilizers of the endoplasmic reticulum resident proteome: Secreted ER Calcium Modulated Protein (SERCaMP) assay	2021	Cell reports, 04-27, Volume: 35, Issue:4	A target-agnostic screen identifies approved drugs to stabilize the endoplasmic reticulum-resident proteome.
AID1347086	qHTS for Inhibitors of the Functional Ribonucleoprotein Complex (vRNP) of Lymphocytic Choriomeningitis Arenaviruses (LCMV): LCMV Primary Screen - GLuc reporter signal	2020	Antiviral research, 01, Volume: 173	A cell-based, infectious-free, platform to identify inhibitors of lassa virus ribonucleoprotein (vRNP) activity.
AID588378	qHTS for Inhibitors of ATXN expression: Validation
AID504810	Antagonists of the Thyroid Stimulating Hormone Receptor: HTS campaign	2010	Endocrinology, Jul, Volume: 151, Issue:7	A small molecule inverse agonist for the human thyroid-stimulating hormone receptor.
AID1347082	qHTS for Inhibitors of the Functional Ribonucleoprotein Complex (vRNP) of Lassa (LASV) Arenavirus: LASV Primary Screen - GLuc reporter signal	2020	Antiviral research, 01, Volume: 173	A cell-based, infectious-free, platform to identify inhibitors of lassa virus ribonucleoprotein (vRNP) activity.
AID1347049	Natriuretic polypeptide receptor (hNpr1) antagonism - Pilot screen	2019	Science translational medicine, 07-10, Volume: 11, Issue:500	Inhibition of natriuretic peptide receptor 1 reduces itch in mice.
AID1347111	qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Confirmatory screen for SK-N-MC cells	2018	Oncotarget, Jan-12, Volume: 9, Issue:4	Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1296008	Cytotoxic Profiling of Annotated Libraries Using Quantitative High-Throughput Screening	2020	SLAS discovery : advancing life sciences R & D, 01, Volume: 25, Issue:1	Cytotoxic Profiling of Annotated and Diverse Chemical Libraries Using Quantitative High-Throughput Screening.
AID1347129	qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Confirmatory screen for SK-N-SH cells	2018	Oncotarget, Jan-12, Volume: 9, Issue:4	Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1347094	qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for BT-37 cells	2018	Oncotarget, Jan-12, Volume: 9, Issue:4	Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1347110	qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Confirmatory screen for A673 cells)	2018	Oncotarget, Jan-12, Volume: 9, Issue:4	Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1347124	qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Confirmatory screen for RD cells	2018	Oncotarget, Jan-12, Volume: 9, Issue:4	Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1347090	qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for DAOY cells	2018	Oncotarget, Jan-12, Volume: 9, Issue:4	Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1347091	qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for SJ-GBM2 cells	2018	Oncotarget, Jan-12, Volume: 9, Issue:4	Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1347095	qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for NB-EBc1 cells	2018	Oncotarget, Jan-12, Volume: 9, Issue:4	Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1347118	qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Confirmatory screen for TC32 cells	2018	Oncotarget, Jan-12, Volume: 9, Issue:4	Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1347117	qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Confirmatory screen for BT-37 cells	2018	Oncotarget, Jan-12, Volume: 9, Issue:4	Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1347107	qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for Rh30 cells	2018	Oncotarget, Jan-12, Volume: 9, Issue:4	Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1347098	qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for SK-N-SH cells	2018	Oncotarget, Jan-12, Volume: 9, Issue:4	Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1347103	qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for OHS-50 cells	2018	Oncotarget, Jan-12, Volume: 9, Issue:4	Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1347113	qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Confirmatory screen for LAN-5 cells	2018	Oncotarget, Jan-12, Volume: 9, Issue:4	Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1347089	qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for TC32 cells	2018	Oncotarget, Jan-12, Volume: 9, Issue:4	Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1347114	qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Confirmatory screen for DAOY cells	2018	Oncotarget, Jan-12, Volume: 9, Issue:4	Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1347126	qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Confirmatory screen for Rh30 cells	2018	Oncotarget, Jan-12, Volume: 9, Issue:4	Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1347121	qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Confirmatory screen for control Hh wild type fibroblast cells	2018	Oncotarget, Jan-12, Volume: 9, Issue:4	Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1347127	qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Confirmatory screen for Saos-2 cells	2018	Oncotarget, Jan-12, Volume: 9, Issue:4	Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1347123	qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Confirmatory screen for Rh41 cells	2018	Oncotarget, Jan-12, Volume: 9, Issue:4	Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1347106	qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for control Hh wild type fibroblast cells	2018	Oncotarget, Jan-12, Volume: 9, Issue:4	Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1347109	qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Confirmatory screen for NB1643 cells	2018	Oncotarget, Jan-12, Volume: 9, Issue:4	Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1347112	qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Confirmatory screen for BT-12 cells	2018	Oncotarget, Jan-12, Volume: 9, Issue:4	Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1347097	qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for Saos-2 cells	2018	Oncotarget, Jan-12, Volume: 9, Issue:4	Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1347093	qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for SK-N-MC cells	2018	Oncotarget, Jan-12, Volume: 9, Issue:4	Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1346986	P-glycoprotein substrates identified in KB-3-1 adenocarcinoma cell line, qHTS therapeutic library screen	2019	Molecular pharmacology, 11, Volume: 96, Issue:5	A High-Throughput Screen of a Library of Therapeutics Identifies Cytotoxic Substrates of P-glycoprotein.
AID1347096	qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for U-2 OS cells	2018	Oncotarget, Jan-12, Volume: 9, Issue:4	Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1347105	qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for MG 63 (6-TG R) cells	2018	Oncotarget, Jan-12, Volume: 9, Issue:4	Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1347119	qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Confirmatory screen for MG 63 (6-TG R) cells	2018	Oncotarget, Jan-12, Volume: 9, Issue:4	Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1347092	qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for A673 cells	2018	Oncotarget, Jan-12, Volume: 9, Issue:4	Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1346987	P-glycoprotein substrates identified in KB-8-5-11 adenocarcinoma cell line, qHTS therapeutic library screen	2019	Molecular pharmacology, 11, Volume: 96, Issue:5	A High-Throughput Screen of a Library of Therapeutics Identifies Cytotoxic Substrates of P-glycoprotein.
AID1347099	qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for NB1643 cells	2018	Oncotarget, Jan-12, Volume: 9, Issue:4	Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1347125	qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Confirmatory screen for Rh18 cells	2018	Oncotarget, Jan-12, Volume: 9, Issue:4	Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1347101	qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for BT-12 cells	2018	Oncotarget, Jan-12, Volume: 9, Issue:4	Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1347128	qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Confirmatory screen for OHS-50 cells	2018	Oncotarget, Jan-12, Volume: 9, Issue:4	Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1347115	qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Confirmatory screen for NB-EBc1 cells	2018	Oncotarget, Jan-12, Volume: 9, Issue:4	Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1347100	qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for LAN-5 cells	2018	Oncotarget, Jan-12, Volume: 9, Issue:4	Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1347154	Primary screen GU AMC qHTS for Zika virus inhibitors	2020	Proceedings of the National Academy of Sciences of the United States of America, 12-08, Volume: 117, Issue:49	Therapeutic candidates for the Zika virus identified by a high-throughput screen for Zika protease inhibitors.
AID1347102	qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for Rh18 cells	2018	Oncotarget, Jan-12, Volume: 9, Issue:4	Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1347116	qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Confirmatory screen for SJ-GBM2 cells	2018	Oncotarget, Jan-12, Volume: 9, Issue:4	Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1347108	qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for Rh41 cells	2018	Oncotarget, Jan-12, Volume: 9, Issue:4	Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1347122	qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Confirmatory screen for U-2 OS cells	2018	Oncotarget, Jan-12, Volume: 9, Issue:4	Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1347104	qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for RD cells	2018	Oncotarget, Jan-12, Volume: 9, Issue:4	Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1745845	Primary qHTS for Inhibitors of ATXN expression
AID1347088	qHTS for Inhibitors of the Functional Ribonucleoprotein Complex (vRNP) of Lymphocytic Choriomeningitis Arenaviruses (LCMV): Viability assay - Alamar blue signal for LCMV Confirmatory Screen	2020	Antiviral research, 01, Volume: 173	A cell-based, infectious-free, platform to identify inhibitors of lassa virus ribonucleoprotein (vRNP) activity.
AID1347084	qHTS for Inhibitors of the Functional Ribonucleoprotein Complex (vRNP) of Lymphocytic Choriomeningitis Arenaviruses (LCMV): LCMV Confirmatory Screen - GLuc reporter signal	2020	Antiviral research, 01, Volume: 173	A cell-based, infectious-free, platform to identify inhibitors of lassa virus ribonucleoprotein (vRNP) activity.
AID1347081	qHTS for Inhibitors of the Functional Ribonucleoprotein Complex (vRNP) of Lassa (LASV) Arenavirus: Viability assay - alamar blue signal for LASV Confirmatory Screen	2020	Antiviral research, 01, Volume: 173	A cell-based, infectious-free, platform to identify inhibitors of lassa virus ribonucleoprotein (vRNP) activity.
AID1347087	qHTS for Inhibitors of the Functional Ribonucleoprotein Complex (vRNP) of Lassa (LASV) Arenavirus: LASV Confirmatory Screen - GLuc reporter signal	2020	Antiviral research, 01, Volume: 173	A cell-based, infectious-free, platform to identify inhibitors of lassa virus ribonucleoprotein (vRNP) activity.
AID1875542	Insecticidal activity against third instar larvae of Helicoverpa armigera (cotton bollworms) measured after 24 hrs
AID1660519	Cytotoxicity against human PNT2 cells assessed as reduction in cell viability at 1 uM after 48 hrs by acridine orange/DAPI staining based assay	2020	Journal of natural products, 06-26, Volume: 83, Issue:6	Hydroxylated Rotenoids Selectively Inhibit the Proliferation of Prostate Cancer Cells.
AID480185	Inhibition of mitochondrial respiratory chain complex 1 in human T47D cells assessed as decrease in oxygen consumption	2010	Journal of natural products, May-28, Volume: 73, Issue:5	The alternative medicine pawpaw and its acetogenin constituents suppress tumor angiogenesis via the HIF-1/VEGF pathway.
AID329523	Toxicity in rat striatal neuronal N548 mutant cells	2007	Proceedings of the National Academy of Sciences of the United States of America, Sep-04, Volume: 104, Issue:36	Inhibitors of metabolism rescue cell death in Huntington's disease models.
AID370981	Antimalarial activity against Plasmodium falciparum DD2 by [3H]hypoxanthine uptake	2009	Bioorganic & medicinal chemistry letters, Feb-01, Volume: 19, Issue:3	Type II NADH dehydrogenase of the respiratory chain of Plasmodium falciparum and its inhibitors.
AID305686	Antiproliferative activity against human HT1080 cells at 3 uM after 48 hrs by MTT assay	2007	Bioorganic & medicinal chemistry, Feb-01, Volume: 15, Issue:3	Rotenoids and flavonoids with anti-invasion of HT1080, anti-proliferation of U937, and differentiation-inducing activity in HL-60 from Erycibe expansa.
AID305688	Antiproliferative activity against human HT1080 cells at 30 uM after 48 hrs by MTT assay	2007	Bioorganic & medicinal chemistry, Feb-01, Volume: 15, Issue:3	Rotenoids and flavonoids with anti-invasion of HT1080, anti-proliferation of U937, and differentiation-inducing activity in HL-60 from Erycibe expansa.
AID334003	Cytotoxicity against human A549 cells after 7 days by MTT assay	1997	Journal of natural products, Sep, Volume: 60, Issue:9	(2,4-cis and trans)-gigantecinone and 4-deoxygigantecin, bioactive nonadjacent bis-tetrahydrofuran annonaceous acetogenins, from Goniothalamus giganteus.
AID596400	Selective toxicity against mouse C38 cells assessed as differential zone units at 0.23 ug/mL by disk diffusion soft agar colony formation assay relative to mouse L1210 cells	2011	Journal of natural products, Apr-25, Volume: 74, Issue:4	Pierreiones A-D, solid tumor selective pyranoisoflavones and other cytotoxic constituents from Antheroporum pierrei.
AID360869	Larvicidal activity against Aedes aegypti larvae assessed as minimum concentration required to kill all larvae after 24 hrs by dilution test	2001	Journal of natural products, Jun, Volume: 64, Issue:6	Five new prenylated stilbenes from the root bark of Lonchocarpus chiricanus.
AID329510	Activation of p38 MAPK in rat striatal neuronal N548 mutant cells	2007	Proceedings of the National Academy of Sciences of the United States of America, Sep-04, Volume: 104, Issue:36	Inhibitors of metabolism rescue cell death in Huntington's disease models.
AID305694	Antiproliferative activity against human HT1080 cells at 3 uM after 24 hrs by calcein-AM assay	2007	Bioorganic & medicinal chemistry, Feb-01, Volume: 15, Issue:3	Rotenoids and flavonoids with anti-invasion of HT1080, anti-proliferation of U937, and differentiation-inducing activity in HL-60 from Erycibe expansa.
AID380667	Antifeedant effect against Myzus persicae assessed as inhibition index at 100 ug/cm2 relative to control	2000	Journal of natural products, Jun, Volume: 63, Issue:6	Insecticidal and mutagenic evaluation of two annonaceous acetogenins.
AID1473740	Inhibition of human MRP3 overexpressed in Sf9 insect cell membrane vesicles assessed as uptake of [3H]-estradiol-17beta-D-glucuronide in presence of ATP and GSH measured after 10 mins by membrane vesicle transport assay	2013	Toxicological sciences : an official journal of the Society of Toxicology, Nov, Volume: 136, Issue:1	A multifactorial approach to hepatobiliary transporter assessment enables improved therapeutic compound development.
AID697852	Inhibition of electric eel AChE at 2 mg/ml by Ellman's method	2012	Bioorganic & medicinal chemistry, Nov-15, Volume: 20, Issue:22	Exploration of natural compounds as sources of new bifunctional scaffolds targeting cholinesterases and beta amyloid aggregation: the case of chelerythrine.
AID1473741	Inhibition of human MRP4 overexpressed in Sf9 cell membrane vesicles assessed as uptake of [3H]-estradiol-17beta-D-glucuronide in presence of ATP and GSH measured after 20 mins by membrane vesicle transport assay	2013	Toxicological sciences : an official journal of the Society of Toxicology, Nov, Volume: 136, Issue:1	A multifactorial approach to hepatobiliary transporter assessment enables improved therapeutic compound development.
AID627233	Reduction in ATP level in human T47D cells at 0.01 to 0.1 uM after 72 hrs by HPLC-UV analysis	2011	Journal of natural products, Sep-23, Volume: 74, Issue:9	Mitochondrial respiration inhibitors suppress protein translation and hypoxic signaling via the hyperphosphorylation and inactivation of translation initiation factor eIF2α and elongation factor eEF2.
AID288487	Antitumor activity against human HepG2 cells after 24 hrs by MTT assay	2007	Bioorganic & medicinal chemistry, Jul-01, Volume: 15, Issue:13	New antitumoral acetogenin 'Guanacone type' derivatives: isolation and bioactivity. Molecular dynamics simulation of diacetyl-guanacone.
AID305701	Antiproliferative activity against human HT1080 cells at 1 uM after 72 hrs by calcein-AM assay	2007	Bioorganic & medicinal chemistry, Feb-01, Volume: 15, Issue:3	Rotenoids and flavonoids with anti-invasion of HT1080, anti-proliferation of U937, and differentiation-inducing activity in HL-60 from Erycibe expansa.
AID503309	Antiproliferative activity against human PC3 cells at 300 nM after 120 hrs by MTT assay relative to DMSO	2006	Nature chemical biology, Jun, Volume: 2, Issue:6	Identifying off-target effects and hidden phenotypes of drugs in human cells.
AID627241	Inhibition of mTORC1-mediated eIF4E phosphorylation on Ser 209 in human T47D cells at 0.1 to 1 uM after 30 mins by Western blotting	2011	Journal of natural products, Sep-23, Volume: 74, Issue:9	Mitochondrial respiration inhibitors suppress protein translation and hypoxic signaling via the hyperphosphorylation and inactivation of translation initiation factor eIF2α and elongation factor eEF2.
AID338271	Antimicrobial activity against Escherichia coli DSM 1103 after 18 hrs by twofold serial dilution method	1994	Journal of natural products, Dec, Volume: 57, Issue:12	Biological effects of prenylated hydroquinones: structure-activity relationship studies in antimicrobial, brine shrimp, and fish lethality assays.
AID377926	Toxicity in brine shrimp	1999	Journal of natural products, Jan, Volume: 62, Issue:1	Goniotriocin and (2,4-cis- and -trans)-xylomaticinones, bioactive annonaceous acetogenins from Goniothalamus giganteus.
AID588210	Human drug-induced liver injury (DILI) modelling dataset from Ekins et al	2010	Drug metabolism and disposition: the biological fate of chemicals, Dec, Volume: 38, Issue:12	A predictive ligand-based Bayesian model for human drug-induced liver injury.
AID329494	Cell death rescue in rat striatal neuronal N548 mutant cells analysed every day for 7 days at 10 uM by trypan blue dye-exclusion assay	2007	Proceedings of the National Academy of Sciences of the United States of America, Sep-04, Volume: 104, Issue:36	Inhibitors of metabolism rescue cell death in Huntington's disease models.
AID735970	Cytotoxicity against mouse 3T3L1 cells assessed as cell viability at 0.02 to 20 uM by MTT assay	2013	Bioorganic & medicinal chemistry letters, Feb-15, Volume: 23, Issue:4	Radiolytic transformation of rotenone with potential anti-adipogenic activity.
AID380674	Insecticidal activity against Leptinotarsa decemlineata assessed as mortality at 5 ug by hemolymph injection after 72 hrs	2000	Journal of natural products, Jun, Volume: 63, Issue:6	Insecticidal and mutagenic evaluation of two annonaceous acetogenins.
AID305717	Antiproliferative activity against human U937 cells after 72 hrs by WST-8 assay	2007	Bioorganic & medicinal chemistry, Feb-01, Volume: 15, Issue:3	Rotenoids and flavonoids with anti-invasion of HT1080, anti-proliferation of U937, and differentiation-inducing activity in HL-60 from Erycibe expansa.
AID305700	Antiproliferative activity against human HT1080 cells at 30 uM after 48 hrs by calcein-AM assay	2007	Bioorganic & medicinal chemistry, Feb-01, Volume: 15, Issue:3	Rotenoids and flavonoids with anti-invasion of HT1080, anti-proliferation of U937, and differentiation-inducing activity in HL-60 from Erycibe expansa.
AID288489	Antitumor activity against human A549 cells after 24 hrs by MTT assay	2007	Bioorganic & medicinal chemistry, Jul-01, Volume: 15, Issue:13	New antitumoral acetogenin 'Guanacone type' derivatives: isolation and bioactivity. Molecular dynamics simulation of diacetyl-guanacone.
AID305715	Antiproliferative activity against human U937 cells after 24 hrs by WST-8 assay	2007	Bioorganic & medicinal chemistry, Feb-01, Volume: 15, Issue:3	Rotenoids and flavonoids with anti-invasion of HT1080, anti-proliferation of U937, and differentiation-inducing activity in HL-60 from Erycibe expansa.
AID305703	Antiproliferative activity against human HT1080 cells at 10 uM after 72 hrs by calcein-AM assay	2007	Bioorganic & medicinal chemistry, Feb-01, Volume: 15, Issue:3	Rotenoids and flavonoids with anti-invasion of HT1080, anti-proliferation of U937, and differentiation-inducing activity in HL-60 from Erycibe expansa.
AID503334	Effect on p53 expressed in HEK293 cells assessed as effect on p53-p53 interaction complexes in presence of camptothecin by EYFP and/or YFP Venus fragment based reporter gene assay	2006	Nature chemical biology, Jun, Volume: 2, Issue:6	Identifying off-target effects and hidden phenotypes of drugs in human cells.
AID329498	Toxicity in drosophila Huntington's disease model	2007	Proceedings of the National Academy of Sciences of the United States of America, Sep-04, Volume: 104, Issue:36	Inhibitors of metabolism rescue cell death in Huntington's disease models.
AID762968	Cytotoxicity against human Raji cells after 48 hrs by MTS assay	2013	Journal of natural products, Aug-23, Volume: 76, Issue:8	Bioactive constituents of Indigofera spicata.
AID329519	Cell death rescue in DNA-deficient rat striatal neuronal N548 mutant cells at 10 uM	2007	Proceedings of the National Academy of Sciences of the United States of America, Sep-04, Volume: 104, Issue:36	Inhibitors of metabolism rescue cell death in Huntington's disease models.
AID78130	Compound was evaluated for the inhibitory activity against slow reacting substance of anaphylaxis (SRS-A) of guinea pig ileum	1980	Journal of medicinal chemistry, Sep, Volume: 23, Issue:9	Evaluation of rotenone and related compounds as antagonists of slow-reacting substance of anaphylaxis.
AID1090241	Insecticidal activity against Drosophila melanogaster larvae assessed as mortality compound treated in diet at 25 degC and >90% RH treated for 8 days	2005	Journal of agricultural and food chemistry, Jul-13, Volume: 53, Issue:14	Larvicidal and adulticidal activity of alkylphthalide derivatives from rhizome of Cnidium officinale against Drosophila melanogaster.
AID288488	Antitumor activity against human HT29 cells after 24 hrs by MTT assay	2007	Bioorganic & medicinal chemistry, Jul-01, Volume: 15, Issue:13	New antitumoral acetogenin 'Guanacone type' derivatives: isolation and bioactivity. Molecular dynamics simulation of diacetyl-guanacone.
AID305682	Antiproliferative activity against human HT1080 cells at 3 uM after 24 hrs by MTT assay	2007	Bioorganic & medicinal chemistry, Feb-01, Volume: 15, Issue:3	Rotenoids and flavonoids with anti-invasion of HT1080, anti-proliferation of U937, and differentiation-inducing activity in HL-60 from Erycibe expansa.
AID338274	Toxicity against Gambusia affinis	1994	Journal of natural products, Dec, Volume: 57, Issue:12	Biological effects of prenylated hydroquinones: structure-activity relationship studies in antimicrobial, brine shrimp, and fish lethality assays.
AID762959	Chemopreventive index, ratio of CD for quinone reductase in mouse Hepa1c1c7 cells to IC50 for mouse Hepa1c1c7 cells	2013	Journal of natural products, Aug-23, Volume: 76, Issue:8	Bioactive constituents of Indigofera spicata.
AID1083031	Insecticidal activity against adult Callosobruchus maculatus assessed mean survival fraction ratio at 10 ppm measured 72 hr post dose (Rvb = 4.4 +/- 0.31 mean survival fraction)	2012	Journal of agricultural and food chemistry, Oct-10, Volume: 60, Issue:40	Highly variable insect control efficacy of Tephrosia vogelii chemotypes.
AID370979	Inhibition of Plasmodium falciparum DHOD	2009	Bioorganic & medicinal chemistry letters, Feb-01, Volume: 19, Issue:3	Type II NADH dehydrogenase of the respiratory chain of Plasmodium falciparum and its inhibitors.
AID278885	Increase in lactate production in MG63 cells at 1 uM after 1 hr by ELISA	2007	Antimicrobial agents and chemotherapy, Jan, Volume: 51, Issue:1	Influence on mitochondria and cytotoxicity of different antibiotics administered in high concentrations on primary human osteoblasts and cell lines.
AID305699	Antiproliferative activity against human HT1080 cells at 10 uM after 48 hrs by calcein-AM assay	2007	Bioorganic & medicinal chemistry, Feb-01, Volume: 15, Issue:3	Rotenoids and flavonoids with anti-invasion of HT1080, anti-proliferation of U937, and differentiation-inducing activity in HL-60 from Erycibe expansa.
AID1437927	Cytotoxicity against mouse L5178Y cells by MTT assay	2017	Journal of natural products, 01-27, Volume: 80, Issue:1	Antibacterial and Cytotoxic Phenolic Metabolites from the Fruits of Amorpha fruticosa.
AID334006	Cytotoxicity against human A498 cells after 7 days by MTT assay	1997	Journal of natural products, Sep, Volume: 60, Issue:9	(2,4-cis and trans)-gigantecinone and 4-deoxygigantecin, bioactive nonadjacent bis-tetrahydrofuran annonaceous acetogenins, from Goniothalamus giganteus.
AID380415	Antifeedant effect against Spodoptera littoralis assessed as feeding reduction at 100 ug/cm2 relative to control	2000	Journal of natural products, Jun, Volume: 63, Issue:6	Insecticidal and mutagenic evaluation of two annonaceous acetogenins.
AID305689	Antiproliferative activity against human HT1080 cells at 1 uM after 72 hrs by MTT assay	2007	Bioorganic & medicinal chemistry, Feb-01, Volume: 15, Issue:3	Rotenoids and flavonoids with anti-invasion of HT1080, anti-proliferation of U937, and differentiation-inducing activity in HL-60 from Erycibe expansa.
AID305696	Antiproliferative activity against human HT1080 cells at 30 uM after 24 hrs by calcein-AM assay	2007	Bioorganic & medicinal chemistry, Feb-01, Volume: 15, Issue:3	Rotenoids and flavonoids with anti-invasion of HT1080, anti-proliferation of U937, and differentiation-inducing activity in HL-60 from Erycibe expansa.
AID329496	Cell death rescue in rat striatal neuron N548 mutant cells	2007	Proceedings of the National Academy of Sciences of the United States of America, Sep-04, Volume: 104, Issue:36	Inhibitors of metabolism rescue cell death in Huntington's disease models.
AID1105525	Inhibition of Escherichia coli GR19N NDH2 assessed as deaminoNADH-DB reductase activity at 100 uM relative to control	1996	Biochimica et biophysica acta, Jan-11, Volume: 1273, Issue:1	Comparison of the inhibitory action of synthetic capsaicin analogues with various NADH-ubiquinone oxidoreductases.
AID305697	Antiproliferative activity against human HT1080 cells at 1 uM after 48 hrs by calcein-AM assay	2007	Bioorganic & medicinal chemistry, Feb-01, Volume: 15, Issue:3	Rotenoids and flavonoids with anti-invasion of HT1080, anti-proliferation of U937, and differentiation-inducing activity in HL-60 from Erycibe expansa.
AID610764	Inhibition of Rhodobacter capsulatus NADH-ubiquinone oxidoreductase using DMB as substrate	2010	Bioorganic & medicinal chemistry, May-15, Volume: 18, Issue:10	Photolabile ubiquinone analogues for identification and characterization of quinone binding sites in proteins.
AID144481	Inhibition of NADH:UBQ:DCIP reductase activity in parascaris mitochondrial particles	1995	Journal of medicinal chemistry, Mar-31, Volume: 38, Issue:7	Thienylimidazo[2,1-b]thiazoles as inhibitors of mitochondrial NADH dehydrogenase.
AID1103610	Larvicidal activity against Drosophila melanogaster larvae assessed as mortality administered through diet after 8 days	2006	Biological & pharmaceutical bulletin, Mar, Volume: 29, Issue:3	Comparison of larvicidal, adulticidal and acaricidal activity of two geometrical butylidenephthalide isomers.
AID404809	Antiproliferative activity against human U373 MG cells after 72 hrs	2008	Bioorganic & medicinal chemistry, Jun-15, Volume: 16, Issue:12	Aroyl hydrazones of 2-phenylindole-3-carbaldehydes as novel antimitotic agents.
AID503332	Effect on Cdc2 expressed in HEK293 cells assessed as effect on Cdc2:Cdc25C interaction complexes in presence of camptothecin by EYFP and/or YFP Venus fragment based reporter gene assay	2006	Nature chemical biology, Jun, Volume: 2, Issue:6	Identifying off-target effects and hidden phenotypes of drugs in human cells.
AID79368	Compound was evaluated for the inhibitory activity against Serotonin in guinea pig ileum	1980	Journal of medicinal chemistry, Sep, Volume: 23, Issue:9	Evaluation of rotenone and related compounds as antagonists of slow-reacting substance of anaphylaxis.
AID329493	Cell death rescue in rat striatal neuronal N548 mutant cells by calcein acetoxymethyl ester assay	2007	Proceedings of the National Academy of Sciences of the United States of America, Sep-04, Volume: 104, Issue:36	Inhibitors of metabolism rescue cell death in Huntington's disease models.
AID627303	Inhibition of mTOR-mediated eIF4E phosphorylation on Ser 209 in human MDA-MB-231 cells at 0.1 to 1 uM after 30 mins by Western blotting	2011	Journal of natural products, Sep-23, Volume: 74, Issue:9	Mitochondrial respiration inhibitors suppress protein translation and hypoxic signaling via the hyperphosphorylation and inactivation of translation initiation factor eIF2α and elongation factor eEF2.
AID1660528	Inhibition of complex 1 in bovine heart mitochondrial membranes in presence of NADH	2020	Journal of natural products, 06-26, Volume: 83, Issue:6	Hydroxylated Rotenoids Selectively Inhibit the Proliferation of Prostate Cancer Cells.
AID305687	Antiproliferative activity against human HT1080 cells at 10 uM after 48 hrs by MTT assay	2007	Bioorganic & medicinal chemistry, Feb-01, Volume: 15, Issue:3	Rotenoids and flavonoids with anti-invasion of HT1080, anti-proliferation of U937, and differentiation-inducing activity in HL-60 from Erycibe expansa.
AID1105529	Inhibition of Bos taurus (bovine) heart submitochondrial particle NDH1 assessed as NADH-DB reductase activity	1996	Biochimica et biophysica acta, Jan-11, Volume: 1273, Issue:1	Comparison of the inhibitory action of synthetic capsaicin analogues with various NADH-ubiquinone oxidoreductases.
AID1092089	Inhibition of Drosophila melanogaster AChE by colorimetric method	2011	Journal of agricultural and food chemistry, Jul-13, Volume: 59, Issue:13	Insecticidal effect and chemical composition of the volatile oil from Bergenia ligulata.
AID305705	Inhibition of proMMP2 production in human HT1080 cells by gelatin zymography analysis	2007	Bioorganic & medicinal chemistry, Feb-01, Volume: 15, Issue:3	Rotenoids and flavonoids with anti-invasion of HT1080, anti-proliferation of U937, and differentiation-inducing activity in HL-60 from Erycibe expansa.
AID338272	Antimicrobial activity against Pseudomonas aeruginosa DSM 1117 after 18 hrs by twofold serial dilution method	1994	Journal of natural products, Dec, Volume: 57, Issue:12	Biological effects of prenylated hydroquinones: structure-activity relationship studies in antimicrobial, brine shrimp, and fish lethality assays.
AID735972	Inhibition of pig pancreatic lipase assessed as hydrolysis of p-nitrophenylbutyrate to p-nitrophenol	2013	Bioorganic & medicinal chemistry letters, Feb-15, Volume: 23, Issue:4	Radiolytic transformation of rotenone with potential anti-adipogenic activity.
AID1533167	Cytotoxicity against human HepG2 cells after 24 hrs by MTT assay	2018	ACS medicinal chemistry letters, Dec-13, Volume: 9, Issue:12	Potent Antimalarial 2-Pyrazolyl Quinolone
AID144487	Inhibition of NADH:UBQ:DCIP reductase activity in beef mitochondrial particles	1995	Journal of medicinal chemistry, Mar-31, Volume: 38, Issue:7	Thienylimidazo[2,1-b]thiazoles as inhibitors of mitochondrial NADH dehydrogenase.
AID627297	Inhibition of mTOR in human T47D cells assessed as eEF2 hyperphosphorylation on Ser 56 at 0.1 to 1 uM after 30 mins by Western blotting	2011	Journal of natural products, Sep-23, Volume: 74, Issue:9	Mitochondrial respiration inhibitors suppress protein translation and hypoxic signaling via the hyperphosphorylation and inactivation of translation initiation factor eIF2α and elongation factor eEF2.
AID1337888	Cytotoxicity against human SH-SY5Y cells assessed as reduction in cell viability after 24 hrs by MTT assay
AID329508	Activation of JAK2 in rat striatal neuronal N548 mutant cells	2007	Proceedings of the National Academy of Sciences of the United States of America, Sep-04, Volume: 104, Issue:36	Inhibitors of metabolism rescue cell death in Huntington's disease models.
AID337267	Cytotoxicity against human HT1080 cells after 48 hrs
AID524791	Antiplasmodial activity against Plasmodium falciparum 7G8 after 72 hrs by SYBR green assay	2009	Nature chemical biology, Oct, Volume: 5, Issue:10	Genetic mapping of targets mediating differential chemical phenotypes in Plasmodium falciparum.
AID1328380	Toxicity in po dosed rat	2016	Journal of natural products, 09-23, Volume: 79, Issue:9	Phenolic Metabolites of Dalea ornata Affect Both Survival and Motility of the Human Pathogenic Hookworm Ancylostoma ceylanicum.
AID1092159	Cytotoxicity against Spodoptera litura cells assessed as growth inhibition at 20 mg/L after 24 hr by MTT assay relative to control	2012	Bioorganic & medicinal chemistry letters, Sep-15, Volume: 22, Issue:18	A new antifungal and cytotoxic C-methylated flavone glycoside from Picea neoveitchii.
AID1090237	Inhibition of adult Drosophila melanogaster AChE by colorimetric method	2005	Journal of agricultural and food chemistry, Jul-13, Volume: 53, Issue:14	Larvicidal and adulticidal activity of alkylphthalide derivatives from rhizome of Cnidium officinale against Drosophila melanogaster.
AID1105066	Antifeedant activity against Diaprepes abbreviatus in compound treated Citrus paradisi MacFad (Rutaceae) potted plants assessed as reduction in leaf consumption measured under 4 hr sunlight exposure at 5.6 ml/l by No-choice tests	2011	Pest management science, Jul, Volume: 67, Issue:7	Antifeedant effect of commercial chemicals and plant extracts against Schistocerca americana (Orthoptera: Acrididae) and Diaprepes abbreviatus (Coleoptera: Curculionidae).
AID503335	Inhibition of of c-Jun expressed in HEK293 cells assessed as induction of protein interaction in presence of camptothecin with Pin1 by EYFP based reporter gene assay	2006	Nature chemical biology, Jun, Volume: 2, Issue:6	Identifying off-target effects and hidden phenotypes of drugs in human cells.
AID329503	Decrease in ATP levels in rat striatal neuronal N548 mutant cells after 8 hrs in serum-deprived medium by luminescence-based assay in presence of glucose	2007	Proceedings of the National Academy of Sciences of the United States of America, Sep-04, Volume: 104, Issue:36	Inhibitors of metabolism rescue cell death in Huntington's disease models.
AID627235	Antiproliferative activity against human T47D cells assessed as cell viability at 0.01 to 0.1 uM after 72 hrs by SRB assay	2011	Journal of natural products, Sep-23, Volume: 74, Issue:9	Mitochondrial respiration inhibitors suppress protein translation and hypoxic signaling via the hyperphosphorylation and inactivation of translation initiation factor eIF2α and elongation factor eEF2.
AID144494	Inhibitory potency against NADH oxidase with respect to compound 2c	2003	Bioorganic & medicinal chemistry letters, Nov-17, Volume: 13, Issue:22	Inhibitory effects on mitochondrial complex I of semisynthetic mono-tetrahydrofuran acetogenin derivatives.
AID398321	Inhibition of respiration in rat liver mitochondria assessed per mg of protein	1995	Journal of natural products, Apr, Volume: 58, Issue:4	Venezenin: a new bioactive Annonaceous acetogenin from the bark of Xylopia aromatica.
AID1090240	Relative toxicity, LC50 for rotenone Drosophila melanogaster larvicidal activity to LC50 for compound Drosophila melanogaster larvicidal activity	2005	Journal of agricultural and food chemistry, Jul-13, Volume: 53, Issue:14	Larvicidal and adulticidal activity of alkylphthalide derivatives from rhizome of Cnidium officinale against Drosophila melanogaster.
AID627228	Inhibition of cellular respiration in human T47D cells assessed as rate of oxygen consumption at 0.001 to 0.1 uM	2011	Journal of natural products, Sep-23, Volume: 74, Issue:9	Mitochondrial respiration inhibitors suppress protein translation and hypoxic signaling via the hyperphosphorylation and inactivation of translation initiation factor eIF2α and elongation factor eEF2.
AID1083029	Inhibition of oviposition in adult Callosobruchus maculatus grown on compound pre-treated cowpea seeds assessed as reduction in number of eggs at 10 to 500 ppm measured after 72 hr	2012	Journal of agricultural and food chemistry, Oct-10, Volume: 60, Issue:40	Highly variable insect control efficacy of Tephrosia vogelii chemotypes.
AID329521	Cell death rescue in rat striatal neuronal N548 mutant cells at 10 uM after 2 days by calcein acetoxymethyl ester assay in presence of U0126	2007	Proceedings of the National Academy of Sciences of the United States of America, Sep-04, Volume: 104, Issue:36	Inhibitors of metabolism rescue cell death in Huntington's disease models.
AID1528308	Activation of AMPK (unknown origin) assessed as increase in AMPK phosphorylation at T172 residue by Western blot analysis	2019	Journal of medicinal chemistry, 12-26, Volume: 62, Issue:24	An Underlying Mechanism of Dual Wnt Inhibition and AMPK Activation: Mitochondrial Uncouplers Masquerading as Wnt Inhibitors.
AID334261	Antibacterial activity against Bacteroides fragilis ATCC 25285 at 625 ug/mL after 24 hrs by conventional well agar method	2002	Journal of natural products, Apr, Volume: 65, Issue:4	Derrisin, a new rotenoid from Derris malaccensis plain and anti-Helicobacter pylori activity of its related constituents.
AID627299	Inhibition of mTOR-mediated 4E-BP1 phosphorylation on Thr 37/46 in human MDA-MB-231 cells at 0.1 to 1 uM after 30 mins by Western blotting	2011	Journal of natural products, Sep-23, Volume: 74, Issue:9	Mitochondrial respiration inhibitors suppress protein translation and hypoxic signaling via the hyperphosphorylation and inactivation of translation initiation factor eIF2α and elongation factor eEF2.
AID329511	Activation of GSKalpha in rat striatal neuronal N548 mutant cells	2007	Proceedings of the National Academy of Sciences of the United States of America, Sep-04, Volume: 104, Issue:36	Inhibitors of metabolism rescue cell death in Huntington's disease models.
AID305681	Antiproliferative activity against human HT1080 cells at 1 uM after 24 hrs by MTT assay	2007	Bioorganic & medicinal chemistry, Feb-01, Volume: 15, Issue:3	Rotenoids and flavonoids with anti-invasion of HT1080, anti-proliferation of U937, and differentiation-inducing activity in HL-60 from Erycibe expansa.
AID478214	Inhibition of NADH oxidase from beef heart submitochondrial particles by spectrophotometry	2010	Bioorganic & medicinal chemistry, May-15, Volume: 18, Issue:10	Synthesis and evaluation of verticipyrone analogues as mitochondrial complex I inhibitors.
AID329522	Cell death rescue of neuronal cells in drosophila Huntington's disease model	2007	Proceedings of the National Academy of Sciences of the United States of America, Sep-04, Volume: 104, Issue:36	Inhibitors of metabolism rescue cell death in Huntington's disease models.
AID334001	Toxicity to brine shrimp	1997	Journal of natural products, Sep, Volume: 60, Issue:9	(2,4-cis and trans)-gigantecinone and 4-deoxygigantecin, bioactive nonadjacent bis-tetrahydrofuran annonaceous acetogenins, from Goniothalamus giganteus.
AID329514	Activation of AKT in rat striatal neuronal N548 mutant cells after 8 hrs by Western blotting	2007	Proceedings of the National Academy of Sciences of the United States of America, Sep-04, Volume: 104, Issue:36	Inhibitors of metabolism rescue cell death in Huntington's disease models.
AID305693	Antiproliferative activity against human HT1080 cells at 1 uM after 24 hrs by calcein-AM assay	2007	Bioorganic & medicinal chemistry, Feb-01, Volume: 15, Issue:3	Rotenoids and flavonoids with anti-invasion of HT1080, anti-proliferation of U937, and differentiation-inducing activity in HL-60 from Erycibe expansa.
AID774892	Inhibition of NADH oxidase in beef heart sub-mitochondrial particles by UV-spectrophotometric analysis	2013	European journal of medicinal chemistry, Nov, Volume: 69	Synthesis of pyrido[2,1-a]isoquinolin-4-ones and oxazino[2,3-a]isoquinolin-4-ones: new inhibitors of mitochondrial respiratory chain.
AID1473739	Inhibition of human MRP2 overexpressed in Sf9 cell membrane vesicles assessed as uptake of [3H]-estradiol-17beta-D-glucuronide in presence of ATP and GSH measured after 20 mins by membrane vesicle transport assay	2013	Toxicological sciences : an official journal of the Society of Toxicology, Nov, Volume: 136, Issue:1	A multifactorial approach to hepatobiliary transporter assessment enables improved therapeutic compound development.
AID1083028	Inhibition of F1 generation emergence in adult Callosobruchus maculatus grown on compound pre-treated cowpea seeds assessed as reduction in adult emergence at 10 to 500 ppm measured over 2 weeks from start of F1 emergence	2012	Journal of agricultural and food chemistry, Oct-10, Volume: 60, Issue:40	Highly variable insect control efficacy of Tephrosia vogelii chemotypes.
AID377929	Cytotoxicity against human MCF7 cells by MTT assay	1999	Journal of natural products, Jan, Volume: 62, Issue:1	Goniotriocin and (2,4-cis- and -trans)-xylomaticinones, bioactive annonaceous acetogenins from Goniothalamus giganteus.
AID500918	Inhibition of Hsp70 expression in heterozygous transgenic zebrafish embryo at 0.15 uM by Western blot analysis	2009	Nature chemical biology, Apr, Volume: 5, Issue:4	Discovering chemical modifiers of oncogene-regulated hematopoietic differentiation.
AID377927	Pesticidal activity against yellow fever mosquito larvae by microtiter plate assay	1999	Journal of natural products, Jan, Volume: 62, Issue:1	Goniotriocin and (2,4-cis- and -trans)-xylomaticinones, bioactive annonaceous acetogenins from Goniothalamus giganteus.
AID627307	Inhibition of mTOR in human MDA-MB-231 cells assessed as eEF2 hyperphosphorylation on Ser 56 at 0.1 to 1 uM after 30 mins by Western blotting	2011	Journal of natural products, Sep-23, Volume: 74, Issue:9	Mitochondrial respiration inhibitors suppress protein translation and hypoxic signaling via the hyperphosphorylation and inactivation of translation initiation factor eIF2α and elongation factor eEF2.
AID329506	Activation of ERK in rat striatal neuronal N548 mutant cells at 10 uM by Western blotting	2007	Proceedings of the National Academy of Sciences of the United States of America, Sep-04, Volume: 104, Issue:36	Inhibitors of metabolism rescue cell death in Huntington's disease models.
AID1105528	Inhibition of Solanum tuberosum (potato) submitochondrial particle NDH1 assessed as deaminoNADH-DB reductase activity	1996	Biochimica et biophysica acta, Jan-11, Volume: 1273, Issue:1	Comparison of the inhibitory action of synthetic capsaicin analogues with various NADH-ubiquinone oxidoreductases.
AID513936	Neurotoxicity in Wistar rat cerebellar granule neurons assessed as attached dead cells at 0.1 uM after 24 hrs using propidium iodide and Hoescht 33342 staining	2010	Bioorganic & medicinal chemistry, Aug-15, Volume: 18, Issue:16	The marine sponge metabolite mycothiazole: a novel prototype mitochondrial complex I inhibitor.
AID627227	Inhibition of cellular respiration in human MDA-MB-231 cells assessed as rate of oxygen consumption	2011	Journal of natural products, Sep-23, Volume: 74, Issue:9	Mitochondrial respiration inhibitors suppress protein translation and hypoxic signaling via the hyperphosphorylation and inactivation of translation initiation factor eIF2α and elongation factor eEF2.
AID479263	Larvicidal activity against Aedes aegypti fourth instar larvae after 24 hrs	2010	Bioorganic & medicinal chemistry letters, May-01, Volume: 20, Issue:9	Bioactivity-guided isolation of mosquitocidal constituents from the rhizomes of Plumbago capensis Thunb.
AID79367	Compound was evaluated for the inhibitory activity against Histamine in guinea pig ileum	1980	Journal of medicinal chemistry, Sep, Volume: 23, Issue:9	Evaluation of rotenone and related compounds as antagonists of slow-reacting substance of anaphylaxis.
AID305679	Inhibition of invasion of human HT1080 cells at 10 uM after 24 hrs	2007	Bioorganic & medicinal chemistry, Feb-01, Volume: 15, Issue:3	Rotenoids and flavonoids with anti-invasion of HT1080, anti-proliferation of U937, and differentiation-inducing activity in HL-60 from Erycibe expansa.
AID524792	Antiplasmodial activity against Plasmodium falciparum D10 after 72 hrs by SYBR green assay	2009	Nature chemical biology, Oct, Volume: 5, Issue:10	Genetic mapping of targets mediating differential chemical phenotypes in Plasmodium falciparum.
AID1660520	Cytotoxicity against human C4-2B cells assessed as reduction in cell viability at 1 uM after 48 hrs by acridine orange/DAPI staining based assay	2020	Journal of natural products, 06-26, Volume: 83, Issue:6	Hydroxylated Rotenoids Selectively Inhibit the Proliferation of Prostate Cancer Cells.
AID305706	Inhibition of proMMP9 production in human HT1080 cells by gelatin zymography analysis	2007	Bioorganic & medicinal chemistry, Feb-01, Volume: 15, Issue:3	Rotenoids and flavonoids with anti-invasion of HT1080, anti-proliferation of U937, and differentiation-inducing activity in HL-60 from Erycibe expansa.
AID427711	Inhibition of NADH oxidase in beef heart submitochondrial particles by end-window spectrophotometry	2009	Journal of natural products, Jul, Volume: 72, Issue:7	Terretonins E and F, inhibitors of the mitochondrial respiratory chain from the marine-derived fungus Aspergillus insuetus (#).
AID144504	Inhibitory potency against NADH/DH oxidoreductase with respect to rotenone	2003	Bioorganic & medicinal chemistry letters, Nov-17, Volume: 13, Issue:22	Inhibitory effects on mitochondrial complex I of semisynthetic mono-tetrahydrofuran acetogenin derivatives.
AID377930	Cytotoxicity against human HT-29 cells by MTT assay	1999	Journal of natural products, Jan, Volume: 62, Issue:1	Goniotriocin and (2,4-cis- and -trans)-xylomaticinones, bioactive annonaceous acetogenins from Goniothalamus giganteus.
AID1660522	Cytotoxicity against human C4-2 cells assessed as reduction in cell viability at 1 uM after 48 hrs by acridine orange/DAPI staining based assay	2020	Journal of natural products, 06-26, Volume: 83, Issue:6	Hydroxylated Rotenoids Selectively Inhibit the Proliferation of Prostate Cancer Cells.
AID329504	Effect of NADH accumulation on cell death rescue in rat striatal neuronal N548 mutant cells by trypan blue dye-exclusion assay	2007	Proceedings of the National Academy of Sciences of the United States of America, Sep-04, Volume: 104, Issue:36	Inhibitors of metabolism rescue cell death in Huntington's disease models.
AID1103916	Disruption of mitochondria in insecticide-susceptible Drosophila melanogaster Hikone-R assessed as increase in cytochrome c release from mitochondria to cytosol at 1 mM by western blot analysis	2009	Pest management science, Jun, Volume: 65, Issue:6	Mitochondrial impacts of insecticidal formate esters in insecticide-resistant and insecticide-susceptible Drosophila melanogaster.
AID380672	Antifeedant effect against Spodoptera littoralis L6 larvae assessed as relative consumption rate at 10 ug, po after 72 hrs	2000	Journal of natural products, Jun, Volume: 63, Issue:6	Insecticidal and mutagenic evaluation of two annonaceous acetogenins.
AID305680	Inhibition of invasion of human HT1080 cells at 30 uM after 24 hrs	2007	Bioorganic & medicinal chemistry, Feb-01, Volume: 15, Issue:3	Rotenoids and flavonoids with anti-invasion of HT1080, anti-proliferation of U937, and differentiation-inducing activity in HL-60 from Erycibe expansa.
AID762964	Selectivity ratio of IC50 for human CCD-112CoN cells to IC50 for human HT29 cells	2013	Journal of natural products, Aug-23, Volume: 76, Issue:8	Bioactive constituents of Indigofera spicata.
AID337268	Cytotoxicity against human Lu1 cells
AID1660517	Cytotoxicity against human C4-2B cells assessed as reduction in cell count at 1 uM after 48 hrs by acridine orange/DAPI staining based assay	2020	Journal of natural products, 06-26, Volume: 83, Issue:6	Hydroxylated Rotenoids Selectively Inhibit the Proliferation of Prostate Cancer Cells.
AID612539	Cytotoxicity against human HeLa cells after 24 hrs by luminometry	2011	Bioorganic & medicinal chemistry letters, Aug-15, Volume: 21, Issue:16	Synthesis and cytotoxicity of the depsipeptides analogues of callipeltin B.
AID337265	Cytotoxicity against human BC1 cells after 72 hrs
AID1103506	Inhibition of Bos taurus (beef) heart NAD1	2005	Journal of agricultural and food chemistry, Oct-19, Volume: 53, Issue:21	Novel inhibitors of the mitochondrial respiratory chain: oximes and pyrrolines isolated from Penicillium brevicompactum and synthetic analogues.
AID718662	Effect on lactate production in human MDA-MB-231 cells at 0.1 uM measured per ug of cellular protein after 24 hrs by enzyme based assay (Rvb = 23.6 +/- 2 nmol/ug of cellular protein)	2012	Journal of natural products, Dec-28, Volume: 75, Issue:12	Glycolysis inhibitor screening identifies the bis-geranylacylphloroglucinol protonophore moronone from Moronobea coccinea.
AID627301	Inhibition of mTOR-mediated rpS6 phosphorylation on Ser 235/236 in human MDA-MB-231 cells at 0.1 to 1 uM after 30 mins by Western blotting	2011	Journal of natural products, Sep-23, Volume: 74, Issue:9	Mitochondrial respiration inhibitors suppress protein translation and hypoxic signaling via the hyperphosphorylation and inactivation of translation initiation factor eIF2α and elongation factor eEF2.
AID977602	Inhibition of sodium fluorescein uptake in OATP1B3-transfected CHO cells at an equimolar substrate-inhibitor concentration of 10 uM	2013	Molecular pharmacology, Jun, Volume: 83, Issue:6	Structure-based identification of OATP1B1/3 inhibitors.
AID739259	Inhibition of mitochondrial ETC complex 1 in human digitonin-permeabalized T47D cells assessed as inhibition of malate/pyruvate-initiated respiration at 0.01 uM after 2 hrs by Clarke-type electrode analysis	2013	Bioorganic & medicinal chemistry, Apr-01, Volume: 21, Issue:7	Semisynthetic studies identify mitochondria poisons from botanical dietary supplements--geranyloxycoumarins from Aegle marmelos.
AID334260	Antibacterial activity against Micrococcus luteus ATCC 9341 at 625 ug/mL after 24 hrs by conventional well agar method	2002	Journal of natural products, Apr, Volume: 65, Issue:4	Derrisin, a new rotenoid from Derris malaccensis plain and anti-Helicobacter pylori activity of its related constituents.
AID1473738	Inhibition of human BSEP overexpressed in Sf9 cell membrane vesicles assessed as uptake of [3H]-taurocholate in presence of ATP measured after 15 to 20 mins by membrane vesicle transport assay	2013	Toxicological sciences : an official journal of the Society of Toxicology, Nov, Volume: 136, Issue:1	A multifactorial approach to hepatobiliary transporter assessment enables improved therapeutic compound development.
AID1660516	Cytotoxicity against human PNT2 cells assessed as reduction in cell count at 1 uM after 48 hrs by acridine orange/DAPI staining based assay	2020	Journal of natural products, 06-26, Volume: 83, Issue:6	Hydroxylated Rotenoids Selectively Inhibit the Proliferation of Prostate Cancer Cells.
AID305684	Antiproliferative activity against human HT1080 cells at 30 uM after 24 hrs by MTT assay	2007	Bioorganic & medicinal chemistry, Feb-01, Volume: 15, Issue:3	Rotenoids and flavonoids with anti-invasion of HT1080, anti-proliferation of U937, and differentiation-inducing activity in HL-60 from Erycibe expansa.
AID334263	Antibacterial activity against Pseudomonas aeruginosa ATCC 9027 at 625 ug/mL after 24 hrs by conventional well agar method	2002	Journal of natural products, Apr, Volume: 65, Issue:4	Derrisin, a new rotenoid from Derris malaccensis plain and anti-Helicobacter pylori activity of its related constituents.
AID1100871	Antifeedant activity against Spodoptera litura in compound treated cork borer from fresh sweet potato leaves by Choice Leaf-Disk Bioassay	2000	Journal of agricultural and food chemistry, May, Volume: 48, Issue:5	Insect antifeedant flavonoids from Gnaphalium affine D. Don.
AID1105082	Antifeedant activity against Schistocerca americana in compound treated healthy romaine lettuce plants assessed as area consumed from leaf disk at 48 g/l by choice tests (1.88 +/- 0.2 cm'2)	2011	Pest management science, Jul, Volume: 67, Issue:7	Antifeedant effect of commercial chemicals and plant extracts against Schistocerca americana (Orthoptera: Acrididae) and Diaprepes abbreviatus (Coleoptera: Curculionidae).
AID762969	Cytotoxicity against human 697 cells after 48 hrs by MTS assay	2013	Journal of natural products, Aug-23, Volume: 76, Issue:8	Bioactive constituents of Indigofera spicata.
AID337266	Cytotoxicity against human Col2 cells after 72 hrs
AID329497	Toxicity in Caenorhabditis elegans Huntington's disease model	2007	Proceedings of the National Academy of Sciences of the United States of America, Sep-04, Volume: 104, Issue:36	Inhibitors of metabolism rescue cell death in Huntington's disease models.
AID596403	Cytotoxicity against human HCT116 cells measured per disk after 5 days by hemocytometer counting	2011	Journal of natural products, Apr-25, Volume: 74, Issue:4	Pierreiones A-D, solid tumor selective pyranoisoflavones and other cytotoxic constituents from Antheroporum pierrei.
AID337271	Cytotoxicity against mouse P388 cells after 48 hrs
AID1660518	Cytotoxicity against human C4-2 cells assessed as reduction in cell count at 1 uM after 48 hrs by acridine orange/DAPI staining based assay	2020	Journal of natural products, 06-26, Volume: 83, Issue:6	Hydroxylated Rotenoids Selectively Inhibit the Proliferation of Prostate Cancer Cells.
AID1103917	Disruption of mitochondria in insecticide-susceptible Drosophila melanogaster Canton-S assessed as increase in cytochrome c release from mitochondria to cytosol at 1 mM by western blot analysis	2009	Pest management science, Jun, Volume: 65, Issue:6	Mitochondrial impacts of insecticidal formate esters in insecticide-resistant and insecticide-susceptible Drosophila melanogaster.
AID1660523	Antiproliferative activity against human C4-2B cells at 1 uM after 150 hrs	2020	Journal of natural products, 06-26, Volume: 83, Issue:6	Hydroxylated Rotenoids Selectively Inhibit the Proliferation of Prostate Cancer Cells.
AID524794	Antiplasmodial activity against Plasmodium falciparum GB4 after 72 hrs by SYBR green assay	2009	Nature chemical biology, Oct, Volume: 5, Issue:10	Genetic mapping of targets mediating differential chemical phenotypes in Plasmodium falciparum.
AID337269	Cytotoxicity against human SK-MEL-2 cells after 72 hrs
AID329495	Decrease in htt expression in rat striatal neuron N548 mutant cells assessed as visible htt aggregation after 12 hrs by Western blotting	2007	Proceedings of the National Academy of Sciences of the United States of America, Sep-04, Volume: 104, Issue:36	Inhibitors of metabolism rescue cell death in Huntington's disease models.
AID627305	Inhibition of mTOR in human MDA-MB-231 cells assessed as eIF2alpha hyperphosphorylation on Ser 51 at 0.1 to 1 uM after 30 mins by Western blotting	2011	Journal of natural products, Sep-23, Volume: 74, Issue:9	Mitochondrial respiration inhibitors suppress protein translation and hypoxic signaling via the hyperphosphorylation and inactivation of translation initiation factor eIF2α and elongation factor eEF2.
AID305716	Antiproliferative activity against human U937 cells after 48 hrs by WST-8 assay	2007	Bioorganic & medicinal chemistry, Feb-01, Volume: 15, Issue:3	Rotenoids and flavonoids with anti-invasion of HT1080, anti-proliferation of U937, and differentiation-inducing activity in HL-60 from Erycibe expansa.
AID329516	Activation of AKT in rat striatal neuronal N548 mutant cells at 50 uM by Western blotting	2007	Proceedings of the National Academy of Sciences of the United States of America, Sep-04, Volume: 104, Issue:36	Inhibitors of metabolism rescue cell death in Huntington's disease models.
AID329499	Cell death rescue of ASH neuronal cells in Caenorhabditis elegans Huntington's disease model	2007	Proceedings of the National Academy of Sciences of the United States of America, Sep-04, Volume: 104, Issue:36	Inhibitors of metabolism rescue cell death in Huntington's disease models.
AID334259	Antibacterial activity against Bacillus subtilis ATCC 6633 at 625 ug/mL after 24 hrs by conventional well agar method	2002	Journal of natural products, Apr, Volume: 65, Issue:4	Derrisin, a new rotenoid from Derris malaccensis plain and anti-Helicobacter pylori activity of its related constituents.
AID380673	Antifeedant effect against Spodoptera littoralis L6 larvae assessed as relative growth rate at 10 ug, po after 72 hrs	2000	Journal of natural products, Jun, Volume: 63, Issue:6	Insecticidal and mutagenic evaluation of two annonaceous acetogenins.
AID305695	Antiproliferative activity against human HT1080 cells at 10 uM after 24 hrs by calcein-AM assay	2007	Bioorganic & medicinal chemistry, Feb-01, Volume: 15, Issue:3	Rotenoids and flavonoids with anti-invasion of HT1080, anti-proliferation of U937, and differentiation-inducing activity in HL-60 from Erycibe expansa.
AID1092091	Adulticidal activity against adult Drosophila melanogaster (males/females 1:1 ratio) assessed as mortality measured after 3 hr	2011	Journal of agricultural and food chemistry, Jul-13, Volume: 59, Issue:13	Insecticidal effect and chemical composition of the volatile oil from Bergenia ligulata.
AID610727	Inhibition of Rhodobacter capsulatus NADH-ubiquinone oxidoreductase using Q0 as substrate	2010	Bioorganic & medicinal chemistry, May-15, Volume: 18, Issue:10	Photolabile ubiquinone analogues for identification and characterization of quinone binding sites in proteins.
AID524795	Antiplasmodial activity against Plasmodium falciparum HB3 after 72 hrs by SYBR green assay	2009	Nature chemical biology, Oct, Volume: 5, Issue:10	Genetic mapping of targets mediating differential chemical phenotypes in Plasmodium falciparum.
AID610728	Inhibition of Rhodobacter capsulatus NADH-ubiquinone oxidoreductase using AzQ0 as substrate	2010	Bioorganic & medicinal chemistry, May-15, Volume: 18, Issue:10	Photolabile ubiquinone analogues for identification and characterization of quinone binding sites in proteins.
AID640432	Cytotoxicity against human A549 cells by SRB assay	2012	Bioorganic & medicinal chemistry letters, Jan-15, Volume: 22, Issue:2	Design, synthesis and cytotoxic activity of novel spin-labeled rotenone derivatives.
AID288491	Antitumor activity against doxorubucin-resistant human MES-SA/Dx5 cells by MTT assay after 24 hrs	2007	Bioorganic & medicinal chemistry, Jul-01, Volume: 15, Issue:13	New antitumoral acetogenin 'Guanacone type' derivatives: isolation and bioactivity. Molecular dynamics simulation of diacetyl-guanacone.
AID334002	Insecticidal activity against yellow fever mosquito larvae by microtiter plate assay	1997	Journal of natural products, Sep, Volume: 60, Issue:9	(2,4-cis and trans)-gigantecinone and 4-deoxygigantecin, bioactive nonadjacent bis-tetrahydrofuran annonaceous acetogenins, from Goniothalamus giganteus.
AID329512	Activation of GSKbeta in rat striatal neuronal N548 mutant cells	2007	Proceedings of the National Academy of Sciences of the United States of America, Sep-04, Volume: 104, Issue:36	Inhibitors of metabolism rescue cell death in Huntington's disease models.
AID1064563	Induction of superoxide radical generation in bovine succinate-respiring submitochondrial particles assessed as oxidation of CPH at 50 uM after 2 mins by ESR spectroscopy	2014	Bioorganic & medicinal chemistry, Jan-15, Volume: 22, Issue:2	Tocopheramine succinate and tocopheryl succinate: mechanism of mitochondrial inhibition and superoxide radical production.
AID305692	Antiproliferative activity against human HT1080 cells at 30 uM after 72 hrs by MTT assay	2007	Bioorganic & medicinal chemistry, Feb-01, Volume: 15, Issue:3	Rotenoids and flavonoids with anti-invasion of HT1080, anti-proliferation of U937, and differentiation-inducing activity in HL-60 from Erycibe expansa.
AID610730	Inhibition of Rhodobacter capsulatus NADH-ubiquinone oxidoreductase using AzQ1 as substrate	2010	Bioorganic & medicinal chemistry, May-15, Volume: 18, Issue:10	Photolabile ubiquinone analogues for identification and characterization of quinone binding sites in proteins.
AID288485	Inhibition of NADH-ubiquinone oxidoreductase assessed by NADH oxidase activity in beef heart submitochondrial particles	2007	Bioorganic & medicinal chemistry, Jul-01, Volume: 15, Issue:13	New antitumoral acetogenin 'Guanacone type' derivatives: isolation and bioactivity. Molecular dynamics simulation of diacetyl-guanacone.
AID329509	Activation of NF-kappaB in rat striatal neuronal N548 mutant cells	2007	Proceedings of the National Academy of Sciences of the United States of America, Sep-04, Volume: 104, Issue:36	Inhibitors of metabolism rescue cell death in Huntington's disease models.
AID697853	Inhibition of horse BChE at 2 mg/ml by Ellman's method	2012	Bioorganic & medicinal chemistry, Nov-15, Volume: 20, Issue:22	Exploration of natural compounds as sources of new bifunctional scaffolds targeting cholinesterases and beta amyloid aggregation: the case of chelerythrine.
AID288486	Antitumor activity against human MCF7 cells after 24 hrs by MTT assay	2007	Bioorganic & medicinal chemistry, Jul-01, Volume: 15, Issue:13	New antitumoral acetogenin 'Guanacone type' derivatives: isolation and bioactivity. Molecular dynamics simulation of diacetyl-guanacone.
AID334007	Cytotoxicity against human PC3 cells after 7 days by MTT assay	1997	Journal of natural products, Sep, Volume: 60, Issue:9	(2,4-cis and trans)-gigantecinone and 4-deoxygigantecin, bioactive nonadjacent bis-tetrahydrofuran annonaceous acetogenins, from Goniothalamus giganteus.
AID762965	Cytotoxicity against human CCD-112CoN cells by SRB assay	2013	Journal of natural products, Aug-23, Volume: 76, Issue:8	Bioactive constituents of Indigofera spicata.
AID627311	Reduction in ATP level in human MDA-MB-231 cells at 0.01 to 0.1 uM after 48 hrs by HPLC-UV analysis	2011	Journal of natural products, Sep-23, Volume: 74, Issue:9	Mitochondrial respiration inhibitors suppress protein translation and hypoxic signaling via the hyperphosphorylation and inactivation of translation initiation factor eIF2α and elongation factor eEF2.
AID380676	Insecticidal activity against Myzus persicae assessed as increase in mortality at 50 ug/cm2 observed daily for 4 days	2000	Journal of natural products, Jun, Volume: 63, Issue:6	Insecticidal and mutagenic evaluation of two annonaceous acetogenins.
AID762960	Cytotoxicity against mouse Hepa-1c1c7 cells	2013	Journal of natural products, Aug-23, Volume: 76, Issue:8	Bioactive constituents of Indigofera spicata.
AID370982	Antimalarial activity against Plasmodium falciparum DD2 expressing Saccharomyces cerevisiae DHOD by [3H]hypoxanthine uptake	2009	Bioorganic & medicinal chemistry letters, Feb-01, Volume: 19, Issue:3	Type II NADH dehydrogenase of the respiratory chain of Plasmodium falciparum and its inhibitors.
AID977599	Inhibition of sodium fluorescein uptake in OATP1B1-transfected CHO cells at an equimolar substrate-inhibitor concentration of 10 uM	2013	Molecular pharmacology, Jun, Volume: 83, Issue:6	Structure-based identification of OATP1B1/3 inhibitors.
AID305704	Antiproliferative activity against human HT1080 cells at 30 uM after 72 hrs by calcein-AM assay	2007	Bioorganic & medicinal chemistry, Feb-01, Volume: 15, Issue:3	Rotenoids and flavonoids with anti-invasion of HT1080, anti-proliferation of U937, and differentiation-inducing activity in HL-60 from Erycibe expansa.
AID329515	Activation of ERK in rat striatal neuronal N548 mutant cells at 50 uM by Western blotting	2007	Proceedings of the National Academy of Sciences of the United States of America, Sep-04, Volume: 104, Issue:36	Inhibitors of metabolism rescue cell death in Huntington's disease models.
AID305698	Antiproliferative activity against human HT1080 cells at 3 uM after 48 hrs by calcein-AM assay	2007	Bioorganic & medicinal chemistry, Feb-01, Volume: 15, Issue:3	Rotenoids and flavonoids with anti-invasion of HT1080, anti-proliferation of U937, and differentiation-inducing activity in HL-60 from Erycibe expansa.
AID1083033	Insecticidal activity against adult Callosobruchus maculatus assessed mean survival fraction ratio at 500 ppm measured 72 hr post dose (Rvb = 4.4 +/- 0.31 mean survival fraction)	2012	Journal of agricultural and food chemistry, Oct-10, Volume: 60, Issue:40	Highly variable insect control efficacy of Tephrosia vogelii chemotypes.
AID762966	Cytotoxicity against human Raji cells after 72 hrs by MTS assay	2013	Journal of natural products, Aug-23, Volume: 76, Issue:8	Bioactive constituents of Indigofera spicata.
AID370980	Inhibition of Saccharomyces cerevisiae DHOD	2009	Bioorganic & medicinal chemistry letters, Feb-01, Volume: 19, Issue:3	Type II NADH dehydrogenase of the respiratory chain of Plasmodium falciparum and its inhibitors.
AID1103947	Antifeedant activity against third-instar Spodoptera litura assessed per cm2 leaf disk	2009	Bioresource technology, Jul, Volume: 100, Issue:14	Antifeedant activity of ethanolic extract from Flourensia oolepis and isolation of pinocembrin as its active principle compound.
AID1105081	Antifeedant activity against Diaprepes abbreviatus in compound treated healthy romaine lettuce plants assessed as area consumed from leaf disk at 48 g/l by choice tests (1.47 +/- 0.1 cm'2)	2011	Pest management science, Jul, Volume: 67, Issue:7	Antifeedant effect of commercial chemicals and plant extracts against Schistocerca americana (Orthoptera: Acrididae) and Diaprepes abbreviatus (Coleoptera: Curculionidae).
AID739262	Inhibition of mitochondrial ETC complex 1 in human T47D cells assessed as inhibition of oxygen consumption at 0.01 uM after 2 hrs by Clarke-type electrode analysis	2013	Bioorganic & medicinal chemistry, Apr-01, Volume: 21, Issue:7	Semisynthetic studies identify mitochondria poisons from botanical dietary supplements--geranyloxycoumarins from Aegle marmelos.
AID503333	Effect on Cdc2 expressed in HEK293 cells assessed as effect on Cdc2:Cdc25A interaction complexes in presence of camptothecin by EYFP and/or YFP Venus fragment based reporter gene assay	2006	Nature chemical biology, Jun, Volume: 2, Issue:6	Identifying off-target effects and hidden phenotypes of drugs in human cells.
AID627231	Reduction in ATP level in human T47D cells after 72 hrs by HPLC-UV analysis	2011	Journal of natural products, Sep-23, Volume: 74, Issue:9	Mitochondrial respiration inhibitors suppress protein translation and hypoxic signaling via the hyperphosphorylation and inactivation of translation initiation factor eIF2α and elongation factor eEF2.
AID78107	Compound was evaluated in vivo for collapse time in guinea pig anaphylaxis model at dose 5 mg/kg	1980	Journal of medicinal chemistry, Sep, Volume: 23, Issue:9	Evaluation of rotenone and related compounds as antagonists of slow-reacting substance of anaphylaxis.
AID627295	Inhibition of mTOR in human T47D cells assessed as eIF2alpha hyperphosphorylation on Ser 51 at 0.1 to 1 uM after 30 mins by Western blotting	2011	Journal of natural products, Sep-23, Volume: 74, Issue:9	Mitochondrial respiration inhibitors suppress protein translation and hypoxic signaling via the hyperphosphorylation and inactivation of translation initiation factor eIF2α and elongation factor eEF2.
AID329502	Suppression of cell death in rat striatal neuronal N548 mutant cells assessed as suppression of caspase 7 activation by Western blotting	2007	Proceedings of the National Academy of Sciences of the United States of America, Sep-04, Volume: 104, Issue:36	Inhibitors of metabolism rescue cell death in Huntington's disease models.
AID305685	Antiproliferative activity against human HT1080 cells at 1 uM after 48 hrs by MTT assay	2007	Bioorganic & medicinal chemistry, Feb-01, Volume: 15, Issue:3	Rotenoids and flavonoids with anti-invasion of HT1080, anti-proliferation of U937, and differentiation-inducing activity in HL-60 from Erycibe expansa.
AID329505	Effect of ROS levels on cell death rescue in rat striatal neuronal N548 mutant cells after 2 hrs	2007	Proceedings of the National Academy of Sciences of the United States of America, Sep-04, Volume: 104, Issue:36	Inhibitors of metabolism rescue cell death in Huntington's disease models.
AID329507	Activation of AKT in rat striatal neuronal N548 mutant cells at 10 uM by Western blotting	2007	Proceedings of the National Academy of Sciences of the United States of America, Sep-04, Volume: 104, Issue:36	Inhibitors of metabolism rescue cell death in Huntington's disease models.
AID422949	Antiparasitic activity against Echinococcus multilocularis protoscolex at 5 uM after 5 days by trypan blue staining	2008	Antimicrobial agents and chemotherapy, Jan, Volume: 52, Issue:1	Anaerobic NADH-fumarate reductase system is predominant in the respiratory chain of Echinococcus multilocularis, providing a novel target for the chemotherapy of alveolar echinococcosis.
AID334004	Cytotoxicity against human MCF7 cells after 7 days by MTT assay	1997	Journal of natural products, Sep, Volume: 60, Issue:9	(2,4-cis and trans)-gigantecinone and 4-deoxygigantecin, bioactive nonadjacent bis-tetrahydrofuran annonaceous acetogenins, from Goniothalamus giganteus.
AID1528309	Activation of AMPK (unknown origin) assessed as reduction in ACC phosphorylation at S79 residue by Western blot analysis	2019	Journal of medicinal chemistry, 12-26, Volume: 62, Issue:24	An Underlying Mechanism of Dual Wnt Inhibition and AMPK Activation: Mitochondrial Uncouplers Masquerading as Wnt Inhibitors.
AID627237	Inhibition of mTOR-mediated 4E-BP1 phosphorylation on Thr 37/46 in human T47D cells at 0.1 to 1 uM after 30 mins by Western blotting	2011	Journal of natural products, Sep-23, Volume: 74, Issue:9	Mitochondrial respiration inhibitors suppress protein translation and hypoxic signaling via the hyperphosphorylation and inactivation of translation initiation factor eIF2α and elongation factor eEF2.
AID334258	Antibacterial activity against Helicobacter pylori 31A after 48 hrs by serial doubling dilution method	2002	Journal of natural products, Apr, Volume: 65, Issue:4	Derrisin, a new rotenoid from Derris malaccensis plain and anti-Helicobacter pylori activity of its related constituents.
AID329500	Decrease in rhabdomere degeneration in Drosophila photoreceptor assessed as number of rhabdomeres per ommatidium at day 9	2007	Proceedings of the National Academy of Sciences of the United States of America, Sep-04, Volume: 104, Issue:36	Inhibitors of metabolism rescue cell death in Huntington's disease models.
AID334264	Antifungal activity against Candida albicans ATCC 10231 at 625 ug/mL after 24 hrs by conventional well agar method	2002	Journal of natural products, Apr, Volume: 65, Issue:4	Derrisin, a new rotenoid from Derris malaccensis plain and anti-Helicobacter pylori activity of its related constituents.
AID718667	Increase in cellular glucose consumption in human MDA-MB-231 cells at 0.1 uM measured per ug of cellular protein after 48 hrs by enzyme based assay (Rvb = 43 +/- 8.4 nmol/ug of cellular protein)	2012	Journal of natural products, Dec-28, Volume: 75, Issue:12	Glycolysis inhibitor screening identifies the bis-geranylacylphloroglucinol protonophore moronone from Moronobea coccinea.
AID380675	Insecticidal activity against Myzus persicae assessed as increase in mortality at 100 ug/cm2 observed daily for 4 days	2000	Journal of natural products, Jun, Volume: 63, Issue:6	Insecticidal and mutagenic evaluation of two annonaceous acetogenins.
AID524790	Antiplasmodial activity against Plasmodium falciparum 3D7 after 72 hrs by SYBR green assay	2009	Nature chemical biology, Oct, Volume: 5, Issue:10	Genetic mapping of targets mediating differential chemical phenotypes in Plasmodium falciparum.
AID1660521	Inhibition of cell proliferation in human PNT2 cells at 1 uM after 150 hrs	2020	Journal of natural products, 06-26, Volume: 83, Issue:6	Hydroxylated Rotenoids Selectively Inhibit the Proliferation of Prostate Cancer Cells.
AID380677	Insecticidal activity against Myzus persicae assessed as offspring production at 100 ug/cm2 observed daily for 4 days	2000	Journal of natural products, Jun, Volume: 63, Issue:6	Insecticidal and mutagenic evaluation of two annonaceous acetogenins.
AID640433	Cytotoxicity against human DU145 cells by SRB assay	2012	Bioorganic & medicinal chemistry letters, Jan-15, Volume: 22, Issue:2	Design, synthesis and cytotoxic activity of novel spin-labeled rotenone derivatives.
AID1090238	Relative toxicity, LD50 for rotenone Drosophila melanogaster adulticidal activity to LD50 for compound Drosophila melanogaster adulticidal activity	2005	Journal of agricultural and food chemistry, Jul-13, Volume: 53, Issue:14	Larvicidal and adulticidal activity of alkylphthalide derivatives from rhizome of Cnidium officinale against Drosophila melanogaster.
AID1743697	Inhibition of mitochondrial complex1 (unknown origin)	2020	Journal of medicinal chemistry, 12-10, Volume: 63, Issue:23	Why All the Fuss about Oxidative Phosphorylation (OXPHOS)?
AID739258	Inhibition of mitochondrial ETC complex 2 in human digitonin-permeabalized T47D cells assessed as inhibition of succinate-initiated respiration at 0.01 uM after 2 hrs by Clarke-type electrode analysis	2013	Bioorganic & medicinal chemistry, Apr-01, Volume: 21, Issue:7	Semisynthetic studies identify mitochondria poisons from botanical dietary supplements--geranyloxycoumarins from Aegle marmelos.
AID278884	Increase in lactate production in primary human osteoblasts at 1 uM after 1 hr by ELISA	2007	Antimicrobial agents and chemotherapy, Jan, Volume: 51, Issue:1	Influence on mitochondria and cytotoxicity of different antibiotics administered in high concentrations on primary human osteoblasts and cell lines.
AID377931	Cytotoxicity against human A-498 cells by MTT assay	1999	Journal of natural products, Jan, Volume: 62, Issue:1	Goniotriocin and (2,4-cis- and -trans)-xylomaticinones, bioactive annonaceous acetogenins from Goniothalamus giganteus.
AID1105527	Inhibition of Solanum tuberosum (potato) inner mitochondrial membrane NDH2 assessed as deaminoNADH-DB reductase activity at 100 uM relative to control	1996	Biochimica et biophysica acta, Jan-11, Volume: 1273, Issue:1	Comparison of the inhibitory action of synthetic capsaicin analogues with various NADH-ubiquinone oxidoreductases.
AID503336	Effect on cofilin1 expressed in HEK293 cells assessed as effect on cofilin1; Limk2 interaction complexes in presence of camptothecin by EYFP and/or YFP Venus fragment based reporter gene assay	2006	Nature chemical biology, Jun, Volume: 2, Issue:6	Identifying off-target effects and hidden phenotypes of drugs in human cells.
AID1105065	Antifeedant activity against Diaprepes abbreviatus in compound treated Citrus paradisi MacFad (Rutaceae) potted plants assessed as reduction in leaf consumption measured under 8 hr sunlight exposure at 5.6 ml/l by No-choice tests	2011	Pest management science, Jul, Volume: 67, Issue:7	Antifeedant effect of commercial chemicals and plant extracts against Schistocerca americana (Orthoptera: Acrididae) and Diaprepes abbreviatus (Coleoptera: Curculionidae).
AID1105526	Inhibition of Escherichia coli GR19N NDH1 assessed as deaminoNADH-DB reductase activity	1996	Biochimica et biophysica acta, Jan-11, Volume: 1273, Issue:1	Comparison of the inhibitory action of synthetic capsaicin analogues with various NADH-ubiquinone oxidoreductases.
AID144493	Inhibitory activity against NADH oxidase in beef heart mitochondrial complex I.	2003	Bioorganic & medicinal chemistry letters, Nov-17, Volume: 13, Issue:22	Inhibitory effects on mitochondrial complex I of semisynthetic mono-tetrahydrofuran acetogenin derivatives.
AID500914	Inhibition of heat-induced AML1-ETO protein expression in heterozygous transgenic zebrafish embryo at 0.15 uM by Western blot analysis	2009	Nature chemical biology, Apr, Volume: 5, Issue:4	Discovering chemical modifiers of oncogene-regulated hematopoietic differentiation.
AID521220	Inhibition of neurosphere proliferation of mouse neural precursor cells by MTT assay	2007	Nature chemical biology, May, Volume: 3, Issue:5	Chemical genetics reveals a complex functional ground state of neural stem cells.
AID401113	Toxicity in Artemia salina	1998	Journal of natural products, Jun-26, Volume: 61, Issue:6	Cytotoxic and insecticidal constituents of the unripe fruit of Persea americana.
AID524796	Antiplasmodial activity against Plasmodium falciparum W2 after 72 hrs by SYBR green assay	2009	Nature chemical biology, Oct, Volume: 5, Issue:10	Genetic mapping of targets mediating differential chemical phenotypes in Plasmodium falciparum.
AID1528311	Inhibition of mitochondrial oxidative phosphorylation in human DLD1 cells assessed as reduction in oxygen consumption rate by seahorse XFe96 analyser based assay	2019	Journal of medicinal chemistry, 12-26, Volume: 62, Issue:24	An Underlying Mechanism of Dual Wnt Inhibition and AMPK Activation: Mitochondrial Uncouplers Masquerading as Wnt Inhibitors.
AID79366	Compound was evaluated for the inhibitory activity against Acetylcholine in guinea pig ileum	1980	Journal of medicinal chemistry, Sep, Volume: 23, Issue:9	Evaluation of rotenone and related compounds as antagonists of slow-reacting substance of anaphylaxis.
AID397122	Inhibition of HIV1 RT
AID762967	Cytotoxicity against human 697 cells after 72 hrs by MTS assay	2013	Journal of natural products, Aug-23, Volume: 76, Issue:8	Bioactive constituents of Indigofera spicata.
AID627230	Reduction in ATP level in human MDA-MB-231 cells after 72 hrs by HPLC-UV analysis	2011	Journal of natural products, Sep-23, Volume: 74, Issue:9	Mitochondrial respiration inhibitors suppress protein translation and hypoxic signaling via the hyperphosphorylation and inactivation of translation initiation factor eIF2α and elongation factor eEF2.
AID1677767	Induction of cytological phenotypic changes in cellular organelles in Parkinson's disease patient human ONS derived C1200080013 cells assessed as changes in mitochondria marker intensity in inner region of cytoplasm at 20 uM incubated for 24 hrs by MitoTr	2020	Bioorganic & medicinal chemistry, 11-01, Volume: 28, Issue:21	Chemical constituents from Macleaya cordata (Willd) R. Br. and their phenotypic functions against a Parkinson's disease patient-derived cell line.
AID627239	Inhibition of mTORC1-mediated rpS6 phosphorylation on Ser 235/236 in human T47D cells at 0.1 to 1 uM after 30 mins by Western blotting	2011	Journal of natural products, Sep-23, Volume: 74, Issue:9	Mitochondrial respiration inhibitors suppress protein translation and hypoxic signaling via the hyperphosphorylation and inactivation of translation initiation factor eIF2α and elongation factor eEF2.
AID401114	Insecticidal activity against yellow fever mosquito larvae transfected in bovine liver powder after 4 days by MES assay	1998	Journal of natural products, Jun-26, Volume: 61, Issue:6	Cytotoxic and insecticidal constituents of the unripe fruit of Persea americana.
AID329513	Activation of ERK in rat striatal neuronal N548 mutant cells after 8 hrs by Western blotting	2007	Proceedings of the National Academy of Sciences of the United States of America, Sep-04, Volume: 104, Issue:36	Inhibitors of metabolism rescue cell death in Huntington's disease models.
AID1105080	Antifeedant activity against Diaprepes abbreviatus in compound treated healthy romaine lettuce plants assessed as area consumed from leaf disk at 48 g/l by No-choice tests (2.51 +/- 0.2 cm'2)	2011	Pest management science, Jul, Volume: 67, Issue:7	Antifeedant effect of commercial chemicals and plant extracts against Schistocerca americana (Orthoptera: Acrididae) and Diaprepes abbreviatus (Coleoptera: Curculionidae).
AID640435	Cytotoxicity against human KBVIN cells by SRB assay	2012	Bioorganic & medicinal chemistry letters, Jan-15, Volume: 22, Issue:2	Design, synthesis and cytotoxic activity of novel spin-labeled rotenone derivatives.
AID1090239	Insecticidal activity against 5 to 7 days old adult Drosophila melanogaster assessed as mortality measured as inability to move compound treated in diet at 25 degC and >90% RH treated for 8 days	2005	Journal of agricultural and food chemistry, Jul-13, Volume: 53, Issue:14	Larvicidal and adulticidal activity of alkylphthalide derivatives from rhizome of Cnidium officinale against Drosophila melanogaster.
AID1161119	Inhibition of NDH2 in Mycobacterium smegmatis (MC2) 155 membranes assessed NADH oxidation relative to control	2014	Bioorganic & medicinal chemistry, Oct-01, Volume: 22, Issue:19	Incorporation of triphenylphosphonium functionality improves the inhibitory properties of phenothiazine derivatives in Mycobacterium tuberculosis.
AID305677	Inhibition of invasion of human HT1080 cells at 1 uM after 24 hrs	2007	Bioorganic & medicinal chemistry, Feb-01, Volume: 15, Issue:3	Rotenoids and flavonoids with anti-invasion of HT1080, anti-proliferation of U937, and differentiation-inducing activity in HL-60 from Erycibe expansa.
AID739263	Inhibition of mitochondrial ETC complex 1 in human T47D cells assessed as inhibition of oxygen consumption at 0.01 uM after 10 mins by Clarke-type electrode analysis	2013	Bioorganic & medicinal chemistry, Apr-01, Volume: 21, Issue:7	Semisynthetic studies identify mitochondria poisons from botanical dietary supplements--geranyloxycoumarins from Aegle marmelos.
AID380678	Insecticidal activity against Myzus persicae assessed as offspring production at 50 ug/cm2 observed daily for 4 days	2000	Journal of natural products, Jun, Volume: 63, Issue:6	Insecticidal and mutagenic evaluation of two annonaceous acetogenins.
AID334005	Cytotoxicity against human HT29 cells after 7 days by MTT assay	1997	Journal of natural products, Sep, Volume: 60, Issue:9	(2,4-cis and trans)-gigantecinone and 4-deoxygigantecin, bioactive nonadjacent bis-tetrahydrofuran annonaceous acetogenins, from Goniothalamus giganteus.
AID305690	Antiproliferative activity against human HT1080 cells at 3 uM after 72 hrs by MTT assay	2007	Bioorganic & medicinal chemistry, Feb-01, Volume: 15, Issue:3	Rotenoids and flavonoids with anti-invasion of HT1080, anti-proliferation of U937, and differentiation-inducing activity in HL-60 from Erycibe expansa.
AID404304	Effect on human MRP2-mediated estradiol-17-beta-glucuronide transport in Sf9 cells inverted membrane vesicles relative to control	2008	Journal of medicinal chemistry, Jun-12, Volume: 51, Issue:11	Prediction and identification of drug interactions with the human ATP-binding cassette transporter multidrug-resistance associated protein 2 (MRP2; ABCC2).
AID305702	Antiproliferative activity against human HT1080 cells at 3 uM after 72 hrs by calcein-AM assay	2007	Bioorganic & medicinal chemistry, Feb-01, Volume: 15, Issue:3	Rotenoids and flavonoids with anti-invasion of HT1080, anti-proliferation of U937, and differentiation-inducing activity in HL-60 from Erycibe expansa.
AID334008	Cytotoxicity against human MIAPaCa2 cells after 7 days by MTT assay	1997	Journal of natural products, Sep, Volume: 60, Issue:9	(2,4-cis and trans)-gigantecinone and 4-deoxygigantecin, bioactive nonadjacent bis-tetrahydrofuran annonaceous acetogenins, from Goniothalamus giganteus.
AID718657	Effect on lactate production in human MDA-MB-231 cells at 0.1 uM measured per ug of cellular protein after 48 hrs by enzyme based assay (Rvb = 40.5 +/- 6 nmol/ug of cellular protein)	2012	Journal of natural products, Dec-28, Volume: 75, Issue:12	Glycolysis inhibitor screening identifies the bis-geranylacylphloroglucinol protonophore moronone from Moronobea coccinea.
AID1083030	Insecticidal activity against adult Callosobruchus maculatus assessed reduction mean survival fraction measured 72 hr post dose (Rvb = 4.4 +/- 0.31 mean survival fraction)	2012	Journal of agricultural and food chemistry, Oct-10, Volume: 60, Issue:40	Highly variable insect control efficacy of Tephrosia vogelii chemotypes.
AID337270	Cytotoxicity against human KB cells after 72 hrs
AID478215	Inhibition of NADH-ubiquinone oxidoreductase from beef heart submitochondrial particles by spectrophotometry	2010	Bioorganic & medicinal chemistry, May-15, Volume: 18, Issue:10	Synthesis and evaluation of verticipyrone analogues as mitochondrial complex I inhibitors.
AID1103608	Adulticidal activity against Drosophila melanogaster larvae assessed as mortality measured per adult	2006	Biological & pharmaceutical bulletin, Mar, Volume: 29, Issue:3	Comparison of larvicidal, adulticidal and acaricidal activity of two geometrical butylidenephthalide isomers.
AID329501	Suppression of cell death in rat striatal neuronal N548 mutant cells assessed as suppression of caspase 3 activation by Western blotting	2007	Proceedings of the National Academy of Sciences of the United States of America, Sep-04, Volume: 104, Issue:36	Inhibitors of metabolism rescue cell death in Huntington's disease models.
AID407933	Inhibition of mitochondrial complex 1 in bovine heart mitochondria assessed as effect on rate of NADH oxidation	2008	Journal of medicinal chemistry, May-22, Volume: 51, Issue:10	Synthesis and biological evaluation of pyridazinone analogues as potential cardiac positron emission tomography tracers.
AID610765	Inhibition of Rhodobacter capsulatus NADH-ubiquinone oxidoreductase using DAzB as substrate	2010	Bioorganic & medicinal chemistry, May-15, Volume: 18, Issue:10	Photolabile ubiquinone analogues for identification and characterization of quinone binding sites in proteins.
AID1105064	Antifeedant activity against Diaprepes abbreviatus in compound treated Citrus paradisi MacFad (Rutaceae) potted plants assessed as reduction in leaf consumption measured under 12 hr sunlight exposure at 5.6 ml/l by No-choice tests	2011	Pest management science, Jul, Volume: 67, Issue:7	Antifeedant effect of commercial chemicals and plant extracts against Schistocerca americana (Orthoptera: Acrididae) and Diaprepes abbreviatus (Coleoptera: Curculionidae).
AID377928	Cytotoxicity against human A549 cells by MTT assay	1999	Journal of natural products, Jan, Volume: 62, Issue:1	Goniotriocin and (2,4-cis- and -trans)-xylomaticinones, bioactive annonaceous acetogenins from Goniothalamus giganteus.
AID305691	Antiproliferative activity against human HT1080 cells at 10 uM after 72 hrs by MTT assay	2007	Bioorganic & medicinal chemistry, Feb-01, Volume: 15, Issue:3	Rotenoids and flavonoids with anti-invasion of HT1080, anti-proliferation of U937, and differentiation-inducing activity in HL-60 from Erycibe expansa.
AID305683	Antiproliferative activity against human HT1080 cells at 10 uM after 24 hrs by MTT assay	2007	Bioorganic & medicinal chemistry, Feb-01, Volume: 15, Issue:3	Rotenoids and flavonoids with anti-invasion of HT1080, anti-proliferation of U937, and differentiation-inducing activity in HL-60 from Erycibe expansa.
AID1875541	Insecticidal activity against third instar larvae of Bombyx mori (silkworm) measured after 24 hrs
AID380669	Antifeedant effect against Leptinotarsa decemlineata assessed as feeding reduction at 10 ug/cm2	2000	Journal of natural products, Jun, Volume: 63, Issue:6	Insecticidal and mutagenic evaluation of two annonaceous acetogenins.
AID288490	Antitumor activity against human MES-SA cells after 24 hrs by MTT assay	2007	Bioorganic & medicinal chemistry, Jul-01, Volume: 15, Issue:13	New antitumoral acetogenin 'Guanacone type' derivatives: isolation and bioactivity. Molecular dynamics simulation of diacetyl-guanacone.
AID1083032	Insecticidal activity against adult Callosobruchus maculatus assessed mean survival fraction ratio at 100 ppm measured 72 hr post dose (Rvb = 4.4 +/- 0.31 mean survival fraction)	2012	Journal of agricultural and food chemistry, Oct-10, Volume: 60, Issue:40	Highly variable insect control efficacy of Tephrosia vogelii chemotypes.
AID380472	Cytotoxicity against human MCF7 cells after 3 days by SRB assay	2006	Journal of natural products, Mar, Volume: 69, Issue:3	Rautandiols A and B, pterocarpans and cytotoxic constituents from Neorautanenia mitis.
AID513935	Neurotoxicity in Wistar rat cerebellar granule neurons assessed as cell death at 10 nM after 24 hrs using propidium iodide and Hoescht 33342 staining	2010	Bioorganic & medicinal chemistry, Aug-15, Volume: 18, Issue:16	The marine sponge metabolite mycothiazole: a novel prototype mitochondrial complex I inhibitor.
AID297626	Inhibition of bovine mitochondrial MC1	2007	Journal of medicinal chemistry, Sep-06, Volume: 50, Issue:18	Synthesis and biological evaluation of the mitochondrial complex 1 inhibitor 2-[4-(4-fluorobutyl)benzylsulfanyl]-3-methylchromene-4-one as a potential cardiac positron emission tomography tracer.
AID762961	Induction of quinone reductase in mouse Hepa1c1c7 cells	2013	Journal of natural products, Aug-23, Volume: 76, Issue:8	Bioactive constituents of Indigofera spicata.
AID718672	Increase in cellular glucose consumption in human MDA-MB-231 cells at 0.1 uM measured per ug of cellular protein after 24 hrs by enzyme based assay (Rvb = 17.2 +/- 2 nmol/ug of cellular protein)	2012	Journal of natural products, Dec-28, Volume: 75, Issue:12	Glycolysis inhibitor screening identifies the bis-geranylacylphloroglucinol protonophore moronone from Moronobea coccinea.
AID588209	Literature-mined public compounds from Greene et al multi-species hepatotoxicity modelling dataset	2010	Chemical research in toxicology, Jul-19, Volume: 23, Issue:7	Developing structure-activity relationships for the prediction of hepatotoxicity.
AID380473	Cytotoxicity against human A549 cells after 3 days by SRB assay	2006	Journal of natural products, Mar, Volume: 69, Issue:3	Rautandiols A and B, pterocarpans and cytotoxic constituents from Neorautanenia mitis.
AID377932	Cytotoxicity against human PC-3 cells by MTT assay	1999	Journal of natural products, Jan, Volume: 62, Issue:1	Goniotriocin and (2,4-cis- and -trans)-xylomaticinones, bioactive annonaceous acetogenins from Goniothalamus giganteus.
AID334262	Antibacterial activity against Escherichia coli ATCC 10536 at 625 ug/mL after 24 hrs by conventional well agar method	2002	Journal of natural products, Apr, Volume: 65, Issue:4	Derrisin, a new rotenoid from Derris malaccensis plain and anti-Helicobacter pylori activity of its related constituents.
AID305678	Inhibition of invasion of human HT1080 cells at 3 uM after 24 hrs	2007	Bioorganic & medicinal chemistry, Feb-01, Volume: 15, Issue:3	Rotenoids and flavonoids with anti-invasion of HT1080, anti-proliferation of U937, and differentiation-inducing activity in HL-60 from Erycibe expansa.
AID610729	Inhibition of Rhodobacter capsulatus NADH-ubiquinone oxidoreductase using Q1 as substrate	2010	Bioorganic & medicinal chemistry, May-15, Volume: 18, Issue:10	Photolabile ubiquinone analogues for identification and characterization of quinone binding sites in proteins.
AID144503	Inhibitory activity against NADH/DH oxidoreductase in beef heart mitochondrial complex I.	2003	Bioorganic & medicinal chemistry letters, Nov-17, Volume: 13, Issue:22	Inhibitory effects on mitochondrial complex I of semisynthetic mono-tetrahydrofuran acetogenin derivatives.
AID400539	Cytotoxicity against human A2780 cells	2004	Journal of natural products, Mar, Volume: 67, Issue:3	Cytotoxic compounds from Mundulea chapelieri from the Madagascar Rainforest.
AID329520	Cell death rescue in rat striatal neuronal N548 mutant cells at 10 uM after 2 days by calcein acetoxymethyl ester assay in presence of LY-294002	2007	Proceedings of the National Academy of Sciences of the United States of America, Sep-04, Volume: 104, Issue:36	Inhibitors of metabolism rescue cell death in Huntington's disease models.
AID762970	Cytotoxicity against human HT-29 cells after 72 hrs by SRB assay	2013	Journal of natural products, Aug-23, Volume: 76, Issue:8	Bioactive constituents of Indigofera spicata.
AID1128688	Induction of NAD(P)H oxidation in mouse TA3/Ha cells assessed as reduction of NAD(P)H/NAD(P)+ ratio at 12 uM by spectrofluorometer analysis	2014	Journal of medicinal chemistry, Mar-27, Volume: 57, Issue:6	Antiproliferative and uncoupling effects of delocalized, lipophilic, cationic gallic acid derivatives on cancer cell lines. Validation in vivo in singenic mice.
AID377933	Cytotoxicity against human PaCa2 cells by MTT assay	1999	Journal of natural products, Jan, Volume: 62, Issue:1	Goniotriocin and (2,4-cis- and -trans)-xylomaticinones, bioactive annonaceous acetogenins from Goniothalamus giganteus.
AID329518	Activation of AKT in DNA-deficient rat striatal neuronal N548 mutant cells at 10 uM after 6 hrs by Western blotting	2007	Proceedings of the National Academy of Sciences of the United States of America, Sep-04, Volume: 104, Issue:36	Inhibitors of metabolism rescue cell death in Huntington's disease models.
AID718681	Inhibition of cell viability of human MDA-MB-231 cells at 0.1 uM after 48 hrs by sulforhodamine B method	2012	Journal of natural products, Dec-28, Volume: 75, Issue:12	Glycolysis inhibitor screening identifies the bis-geranylacylphloroglucinol protonophore moronone from Moronobea coccinea.
AID1830788	Effect on glycolysis in human HeLa/Fucci2 cells assessed as increase in lactate production per ug protein at 0.1 uM incubated for 24 hrs by LDH Assay (Rvb = 19.6 +/- 6.2 nmol)	2021	Bioorganic & medicinal chemistry, 11-15, Volume: 50	Neopetrosidines A-D, pyridine alkaloids isolated from the marine sponge Neopetrosia chaliniformis and their cell cycle elongation activity.
AID1660524	Antiproliferative activity against human C4-2 cells at 1 uM after 150 hrs	2020	Journal of natural products, 06-26, Volume: 83, Issue:6	Hydroxylated Rotenoids Selectively Inhibit the Proliferation of Prostate Cancer Cells.
AID739256	Inhibition of mitochondrial ETC complex 4 in human digitonin-permeabalized T47D cells assessed as inhibition of ascorbate/TMPD-initiated respiration at 0.01 uM after 2 hrs by Clarke-type electrode analysis in presence of antimycin A	2013	Bioorganic & medicinal chemistry, Apr-01, Volume: 21, Issue:7	Semisynthetic studies identify mitochondria poisons from botanical dietary supplements--geranyloxycoumarins from Aegle marmelos.
AID627232	Reduction in ATP level in human T47D cells after 48 hrs by HPLC-UV analysis	2011	Journal of natural products, Sep-23, Volume: 74, Issue:9	Mitochondrial respiration inhibitors suppress protein translation and hypoxic signaling via the hyperphosphorylation and inactivation of translation initiation factor eIF2α and elongation factor eEF2.
AID640434	Cytotoxicity against human KB cells by SRB assay	2012	Bioorganic & medicinal chemistry letters, Jan-15, Volume: 22, Issue:2	Design, synthesis and cytotoxic activity of novel spin-labeled rotenone derivatives.
AID370978	Inhibition of Plasmodium falciparum NDH2	2009	Bioorganic & medicinal chemistry letters, Feb-01, Volume: 19, Issue:3	Type II NADH dehydrogenase of the respiratory chain of Plasmodium falciparum and its inhibitors.
AID1347424	RapidFire Mass Spectrometry qHTS Assay for Modulators of WT P53-Induced Phosphatase 1 (WIP1)	2019	The Journal of biological chemistry, 11-15, Volume: 294, Issue:46	Physiologically relevant orthogonal assays for the discovery of small-molecule modulators of WIP1 phosphatase in high-throughput screens.
AID1347407	qHTS to identify inhibitors of the type 1 interferon - major histocompatibility complex class I in skeletal muscle: primary screen against the NCATS Pharmaceutical Collection	2020	ACS chemical biology, 07-17, Volume: 15, Issue:7	High-Throughput Screening to Identify Inhibitors of the Type I Interferon-Major Histocompatibility Complex Class I Pathway in Skeletal Muscle.
AID1347425	Rhodamine-PBP qHTS Assay for Modulators of WT P53-Induced Phosphatase 1 (WIP1)	2019	The Journal of biological chemistry, 11-15, Volume: 294, Issue:46	Physiologically relevant orthogonal assays for the discovery of small-molecule modulators of WIP1 phosphatase in high-throughput screens.
AID651635	Viability Counterscreen for Primary qHTS for Inhibitors of ATXN expression
AID1347411	qHTS to identify inhibitors of the type 1 interferon - major histocompatibility complex class I in skeletal muscle: primary screen against the NCATS Mechanism Interrogation Plate v5.0 (MIPE) Libary	2020	ACS chemical biology, 07-17, Volume: 15, Issue:7	High-Throughput Screening to Identify Inhibitors of the Type I Interferon-Major Histocompatibility Complex Class I Pathway in Skeletal Muscle.
AID504749	qHTS profiling for inhibitors of Plasmodium falciparum proliferation	2011	Science (New York, N.Y.), Aug-05, Volume: 333, Issue:6043	Chemical genomic profiling for antimalarial therapies, response signatures, and molecular targets.
AID1794808	Fluorescence-based screening to identify small molecule inhibitors of Plasmodium falciparum apicoplast DNA polymerase (Pf-apPOL).	2014	Journal of biomolecular screening, Jul, Volume: 19, Issue:6	A High-Throughput Assay to Identify Inhibitors of the Apicoplast DNA Polymerase from Plasmodium falciparum.
AID1794808	Fluorescence-based screening to identify small molecule inhibitors of Plasmodium falciparum apicoplast DNA polymerase (Pf-apPOL).
AID1159550	Human Phosphogluconate dehydrogenase (6PGD) Inhibitor Screening	2015	Nature cell biology, Nov, Volume: 17, Issue:11	6-Phosphogluconate dehydrogenase links oxidative PPP, lipogenesis and tumour growth by inhibiting LKB1-AMPK signalling.
AID1159607	Screen for inhibitors of RMI FANCM (MM2) intereaction	2016	Journal of biomolecular screening, Jul, Volume: 21, Issue:6	A High-Throughput Screening Strategy to Identify Protein-Protein Interaction Inhibitors That Block the Fanconi Anemia DNA Repair Pathway.
[information is prepared from bioassay data collected from National Library of Medicine (NLM), extracted Dec-2023]

Timeframe	Studies, This Drug (%)	All Drugs %
pre-1990	1174 (27.42)	18.7374
1990's	414 (9.67)	18.2507
2000's	928 (21.67)	29.6817
2010's	1259 (29.40)	24.3611
2020's	507 (11.84)	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	6 (0.14%)	5.53%
Reviews	87 (1.97%)	6.00%
Case Studies	13 (0.29%)	4.05%
Observational	0 (0.00%)	0.25%
Other	4,301 (97.59%)	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
ellipticine	[no description available]	medium	4	0	indole alkaloid; organic heterotetracyclic compound; organonitrogen heterocyclic compound; polycyclic heteroarene	antineoplastic agent; plant metabolite
khellin	[no description available]	medium	3	0	furanochromone; organic heterotricyclic compound; oxacycle	anti-asthmatic agent; bronchodilator agent; cardiovascular drug; vasodilator agent
papaverine	[no description available]	medium	11	0	benzylisoquinoline alkaloid; dimethoxybenzene; isoquinolines	antispasmodic drug; vasodilator agent
suramin	[no description available]	high	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
vincristine	[no description available]	high	4	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
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
androstenedione	[no description available]	medium	3	0	17-oxo steroid; 3-oxo-Delta(4) steroid; androstanoid	androgen; Daphnia magna metabolite; human metabolite; mouse metabolite
colchicine	[no description available]	medium	29	0	alkaloid; colchicine	anti-inflammatory agent; gout suppressant; mutagen
sparteine, (7r-(7alpha,7aalpha,14alpha,14abeta))-isomer	[no description available]	medium	1	0
deserpidine	[no description available]	medium	1	0	alkaloid ester; benzoate ester; methyl ester; organic heteropentacyclic compound; yohimban alkaloid
2,5-dimethyl-4-benzoquinone	[no description available]	medium	1	0
monocrotaline	[no description available]	medium	4	0	pyrrolizidine alkaloid
boldine	[no description available]	medium	2	0	aporphine alkaloid
dihydroberberine	[no description available]	medium	1	0	alkaloid
Berberine chloride (TN)	[no description available]	medium	2	0	organic molecular entity
vinblastine	[no description available]	medium	3	0
thalicarpine	[no description available]	medium	1	0	bisbenzylisoquinoline alkaloid; isoquinolines
camptothecin	[no description available]	high	11	0	delta-lactone; pyranoindolizinoquinoline; quinoline alkaloid; tertiary alcohol	antineoplastic agent; EC 5.99.1.2 (DNA topoisomerase) inhibitor; genotoxin; plant metabolite
nitidine chloride	[no description available]	medium	1	0
tomatine	[no description available]	medium	1	0	alkaloid antibiotic; glycoalkaloid; glycoside; steroid alkaloid; tetrasaccharide derivative	antifungal agent; immunological adjuvant; phytotoxin
daunorubicin	[no description available]	high	5	0	aminoglycoside antibiotic; anthracycline; p-quinones; tetracenequinones	antineoplastic agent; bacterial metabolite
canadine	[no description available]	medium	1	0	aromatic ether; berberine alkaloid; organic heteropentacyclic compound; oxacycle
paclitaxel	[no description available]	high	24	1	taxane diterpenoid; tetracyclic diterpenoid	antineoplastic agent; human metabolite; metabolite; microtubule-stabilising agent
paclitaxel	[no description available]	high	24	0	taxane diterpenoid; tetracyclic diterpenoid	antineoplastic agent; human metabolite; metabolite; microtubule-stabilising agent
swainsonine	[no description available]	medium	2	0	indolizidine alkaloid	antineoplastic agent; EC 3.2.1.114 (mannosyl-oligosaccharide 1,3-1,6-alpha-mannosidase) inhibitor; immunological adjuvant; plant metabolite
rotenolone	[no description available]	medium	24	0	organic molecular entity	metabolite
tetrahydropalmatine	[no description available]	medium	1	0	an (S)-7,8,13,14-tetrahydroprotoberberine; berberine alkaloid; organic heterotetracyclic compound	adrenergic agent; dopaminergic antagonist; non-narcotic analgesic
chelerythrine chloride	[no description available]	medium	5	0
plumieride	[no description available]	medium	1	0	glycoside
coptisine	[no description available]	medium	1	0
betulin	[no description available]	medium	3	0	diol; pentacyclic triterpenoid	analgesic; anti-inflammatory agent; antineoplastic agent; antiviral agent; metabolite
tetrahydroalstonine	[no description available]	medium	2	0	methyl ester; organic heteropentacyclic compound; yohimban alkaloid	plant metabolite
tubulosine	[no description available]	medium	1	0	beta-carbolines; isoquinoline alkaloid; isoquinolines; phenols; secondary amino compound; tertiary amino compound
hernandezine	[no description available]	medium	2	0	bisbenzylisoquinoline alkaloid; isoquinolines
9-methoxyellipticine	[no description available]	medium	1	0
beta-amyrin	[no description available]	medium	1	0	pentacyclic triterpenoid; secondary alcohol	Aspergillus metabolite; plant metabolite
tingenin b	[no description available]	medium	1	0
jacaranone	[no description available]	medium	1	0
4beta-Hydroxywithanolide E	[no description available]	medium	1	0	withanolide
cinchonine	[no description available]	medium	2	0	(8xi)-cinchonan-9-ol; cinchona alkaloid	metabolite
corynanthine	[no description available]	medium	2	0	yohimban alkaloid
limonin	[no description available]	medium	2	0	epoxide; furans; hexacyclic triterpenoid; lactone; limonoid; organic heterohexacyclic compound	inhibitor; metabolite; volatile oil component
chelidonine	[no description available]	medium	2	0	alkaloid antibiotic; alkaloid fundamental parent; benzophenanthridine alkaloid
hydrastine	[no description available]	medium	3	0	isoquinolines	metabolite
aspidospermine	[no description available]	medium	1	0	indole alkaloid
aricine	[no description available]	medium	1	0	methyl ester; yohimban alkaloid
Harringtonine	[no description available]	medium	2	0	alkaloid
indicine-n-oxide	[no description available]	medium	1	0
homoharringtonine	[no description available]	high	1	0	alkaloid ester; enol ether; organic heteropentacyclic compound; tertiary alcohol	anticoronaviral agent; antineoplastic agent; apoptosis inducer; protein synthesis inhibitor
acronine	[no description available]	medium	1	0	acridone derivatives; alkaloid	antineoplastic agent; metabolite
jatrorrhizine chloride	[no description available]	medium	1	0
ouabain	[no description available]	medium	51	0	11alpha-hydroxy steroid; 14beta-hydroxy steroid; 5beta-hydroxy steroid; alpha-L-rhamnoside; cardenolide glycoside; steroid hormone	anti-arrhythmia drug; cardiotonic drug; EC 2.3.3.1 [citrate (Si)-synthase] inhibitor; EC 3.1.3.41 (4-nitrophenylphosphatase) inhibitor; EC 3.6.3.10 (H(+)/K(+)-exchanging ATPase) inhibitor; EC 3.6.3.9 (Na(+)/K(+)-transporting ATPase) inhibitor; ion transport inhibitor; plant metabolite
ginsenoside re	[no description available]	medium	2	0	12beta-hydroxy steroid; 3beta-hydroxy-4,4-dimethylsteroid; 3beta-hydroxy steroid; beta-D-glucoside; disaccharide derivative; ginsenoside; tetracyclic triterpenoid	anti-inflammatory agent; antineoplastic agent; antioxidant; nephroprotective agent; neuroprotective agent; plant metabolite
raubasine	[no description available]	medium	1	0	methyl ester; monoterpenoid indole alkaloid; organic heteropentacyclic compound	alpha-adrenergic antagonist; antihypertensive agent; vasodilator agent
brucine	[no description available]	medium	1	0	monoterpenoid indole alkaloid; organic heteroheptacyclic compound
stevioside	[no description available]	medium	1	0	beta-D-glucoside; bridged compound; diterpene glycoside; ent-kaurane diterpenoid; tetracyclic diterpenoid	anti-inflammatory agent; antineoplastic agent; antioxidant; hypoglycemic agent; plant metabolite; sweetening agent
steviol	[no description available]	medium	1	0	bridged compound; ent-kaurane diterpenoid; monocarboxylic acid; tertiary allylic alcohol; tetracyclic diterpenoid	antineoplastic agent
quinidine sulfate	[no description available]	medium	3	0
hirsutine, (16e,20beta)-isomer	[no description available]	medium	1	0	alkaloid	metabolite
quercetin	[no description available]	high	25	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
stigmasterol	[no description available]	medium	1	0	3beta-hydroxy-Delta(5)-steroid; 3beta-sterol; phytosterols; stigmastane sterol	plant metabolite
kaempferol	[no description available]	medium	5	0	7-hydroxyflavonol; flavonols; tetrahydroxyflavone	antibacterial agent; geroprotector; human blood serum metabolite; human urinary metabolite; human xenobiotic metabolite; plant metabolite
senecionine	[no description available]	medium	2	0	lactone; pyrrolizidine alkaloid; tertiary alcohol	plant metabolite
bruceantin	[no description available]	medium	1	0	triterpenoid
esculin	[no description available]	medium	1	0	beta-D-glucoside; hydroxycoumarin	antioxidant; metabolite
fulvoplumierin	[no description available]	medium	1	0	carbonyl compound; pyrans
plumericin	[no description available]	medium	1	0	terpene lactone
genkwanin	[no description available]	medium	1	0	dihydroxyflavone; monomethoxyflavone	metabolite
seneciphylline	[no description available]	medium	1	0	pyrrolizine alkaloid
maytansine	[no description available]	medium	1	0	alpha-amino acid ester; carbamate ester; epoxide; maytansinoid; organic heterotetracyclic compound; organochlorine compound	antimicrobial agent; antimitotic; antineoplastic agent; plant metabolite; tubulin modulator
heliparvifoline	[no description available]	medium	1	0	organic heterotricyclic compound; organonitrogen heterocyclic compound; oxacycle
ellagic acid	[no description available]	medium	7	0	catechols; cyclic ketone; lactone; organic heterotetracyclic compound; polyphenol	antioxidant; EC 1.14.18.1 (tyrosinase) inhibitor; EC 2.3.1.5 (arylamine N-acetyltransferase) inhibitor; EC 2.4.1.1 (glycogen phosphorylase) inhibitor; EC 2.5.1.18 (glutathione transferase) inhibitor; EC 2.7.1.127 (inositol-trisphosphate 3-kinase) inhibitor; EC 2.7.1.151 (inositol-polyphosphate multikinase) inhibitor; EC 2.7.4.6 (nucleoside-diphosphate kinase) inhibitor; EC 2.7.7.7 (DNA-directed DNA polymerase) inhibitor; EC 5.99.1.2 (DNA topoisomerase) inhibitor; EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor; food additive; fungal metabolite; geroprotector; plant metabolite; skin lightening agent
tiliroside	[no description available]	medium	2	0	cinnamate ester; glycosyloxyflavone; monosaccharide derivative; trihydroxyflavone	plant metabolite
5,4'-dihydroxy-7,3'-dimethoxyflavone	[no description available]	medium	1	0	dihydroxyflavone; dimethoxyflavone	anti-allergic agent; anti-inflammatory agent; antibacterial agent; antioxidant; melanin synthesis inhibitor; plant metabolite
pericalline	[no description available]	medium	1	0
emetine hydrochloride	[no description available]	medium	1	0
ginsenoside rb1	[no description available]	medium	1	0	ginsenoside; glycoside; tetracyclic triterpenoid	anti-inflammatory drug; anti-obesity agent; apoptosis inhibitor; neuroprotective agent; plant metabolite; radical scavenger
nomilin	[no description available]	medium	1	0
tannins	[no description available]	medium	2	0	tannin
ajmaline	[no description available]	medium	2	0
tephrosin	[no description available]	high	24	0	aromatic ether; cyclic ketone; organic heteropentacyclic compound; rotenones	antineoplastic agent; metabolite; pesticide
1',2'-dihydrorotenone	[no description available]	medium	18	0
fpl 55712	[no description available]	medium	1	0
hydroquinone	[no description available]	medium	4	0	benzenediol; hydroquinones	antioxidant; carcinogenic agent; cofactor; Escherichia coli metabolite; human xenobiotic metabolite; mouse metabolite; skin lightening agent
miconazole	[no description available]	medium	3	0	dichlorobenzene; ether; imidazoles
quinone	[no description available]	medium	10	0	1,4-benzoquinones	cofactor; human xenobiotic metabolite; mouse metabolite
2-methyl-1,4-hydroquinone	[no description available]	medium	1	0	hydroquinones	angiogenesis inhibitor; anti-inflammatory agent; Penicillium metabolite
2-methyl-1,4-benzoquinone	[no description available]	medium	1	0
avarol	[no description available]	medium	1	0
geranylhydroquinone	[no description available]	medium	1	0	polyprenylhydroquinone; terpenoid
gentamicin sulfate	[no description available]	medium	3	0
capsaicin	[no description available]	medium	15	0	capsaicinoid	non-narcotic analgesic; TRPV1 agonist; voltage-gated sodium channel blocker
piericidin a	[no description available]	medium	22	0	aromatic ether; methylpyridines; monohydroxypyridine; secondary allylic alcohol	antimicrobial agent; bacterial metabolite; EC 1.6.5.3 [NADH:ubiquinone reductase (H(+)-translocating)] inhibitor; mitochondrial respiratory-chain inhibitor
fenpyroximate	[no description available]	high	3	0	pyrazole acaricide; tert-butyl ester	mitochondrial NADH:ubiquinone reductase inhibitor
gigantecin	[no description available]	medium	1	0
Avocadyne	[no description available]	medium	1	0	long-chain fatty alcohol
tangeretin	[no description available]	medium	1	0	pentamethoxyflavone	antineoplastic agent; plant metabolite
gardenin b	[no description available]	medium	1	0	monohydroxyflavone; tetramethoxyflavone	plant metabolite
5-hydroxy-3,3',4',7-tetramethoxyflavone	[no description available]	medium	1	0	3'-methoxyflavones; monohydroxyflavone; tetramethoxyflavone	plant metabolite
flavokawain a	[no description available]	medium	2	0	chalcones
helichrysetin	[no description available]	medium	1	0	chalcones
flavokawain C	[no description available]	medium	1	0	chalcones
5-Hydroxyauranetin	[no description available]	medium	2	0	ether; flavonoids
squamocin	[no description available]	medium	2	0	polyketide
3,5-dimethoxy-trans-stilbene	[no description available]	medium	1	0	stilbenoid
nystatin a1	[no description available]	medium	4	0	nystatins
clarithromycin	[no description available]	medium	5	0	macrolide antibiotic	antibacterial drug; environmental contaminant; protein synthesis inhibitor; xenobiotic
deguelin	[no description available]	high	163	0	aromatic ether; diether; organic heteropentacyclic compound; rotenones	angiogenesis inhibitor; anti-inflammatory agent; antineoplastic agent; antiviral agent; apoptosis inducer; EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor; mitochondrial NADH:ubiquinone reductase inhibitor; plant metabolite
elliptone	[no description available]	medium	4	0
alpha-toxicarol	[no description available]	medium	5	0	isoflavanones
Dehydrodeguelin,7a,13a-Didehydrodeguelin	[no description available]	medium	2	0	rotenones
heparin	[no description available]	medium	1	0	gamma-lactone
ligustilide	[no description available]	medium	1	0	butenolide	metabolite
deet	[no description available]	medium	1	0	benzamides; monocarboxylic acid amide	environmental contaminant; insect repellent; xenobiotic
butylidenephthalide	[no description available]	medium	1	0	2-benzofurans; gamma-lactone	EC 3.2.1.20 (alpha-glucosidase) inhibitor; hypoglycemic agent; metabolite
butylidenephthalide	[no description available]	medium	1	0	isobenzofuranone
6-(6-methoxy-1,3-benzodioxol-5-yl)-7-furo[3,2-g][1]benzopyranone	[no description available]	medium	1	0	isoflavonoid
ag-1296	[no description available]	medium	1	0	quinoxaline derivative
albuterol	[no description available]	medium	3	0	phenols; phenylethanolamines; secondary amino compound	beta-adrenergic agonist; bronchodilator agent; environmental contaminant; xenobiotic
aminoglutethimide	[no description available]	high	5	0	dicarboximide; piperidones; substituted aniline	adrenergic agent; anticonvulsant; antineoplastic agent; EC 1.14.14.14 (aromatase) inhibitor
bicalutamide	[no description available]	medium	4	0	(trifluoromethyl)benzenes; monocarboxylic acid amide; monofluorobenzenes; nitrile; sulfone; tertiary alcohol
caffeine	[no description available]	medium	24	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
celecoxib	[no description available]	medium	4	0	organofluorine compound; pyrazoles; sulfonamide; toluenes	cyclooxygenase 2 inhibitor; geroprotector; non-narcotic analgesic; non-steroidal anti-inflammatory drug
ciglitazone	[no description available]	medium	4	0	aromatic ether; thiazolidinone	antineoplastic agent; insulin-sensitizing drug
ciprofibrate	[no description available]	medium	5	0	cyclopropanes; monocarboxylic acid; organochlorine compound	antilipemic drug
clenbuterol	[no description available]	medium	1	0	amino alcohol; dichlorobenzene; ethanolamines; primary arylamine; secondary amino compound; substituted aniline	beta-adrenergic agonist; bronchodilator agent; sympathomimetic agent
clofibrate	[no description available]	medium	8	0	aromatic ether; ethyl ester; monochlorobenzenes	anticholesteremic drug; antilipemic drug; geroprotector; PPARalpha agonist
clotrimazole	[no description available]	medium	7	0	conazole antifungal drug; imidazole antifungal drug; imidazoles; monochlorobenzenes	antiinfective agent; environmental contaminant; xenobiotic
fenofibrate	[no description available]	medium	8	0	aromatic ether; chlorobenzophenone; isopropyl ester; monochlorobenzenes	antilipemic drug; environmental contaminant; geroprotector; xenobiotic
gemfibrozil	[no description available]	medium	4	0	aromatic ether	antilipemic drug
go 6976	[no description available]	medium	2	0	indolocarbazole; organic heterohexacyclic compound	EC 2.7.11.13 (protein kinase C) inhibitor
isoproterenol	[no description available]	medium	7	0	catechols; secondary alcohol; secondary amino compound	beta-adrenergic agonist; bronchodilator agent; cardiotonic drug; sympathomimetic agent
ketoconazole	[no description available]	medium	7	0	dichlorobenzene; dioxolane; ether; imidazoles; N-acylpiperazine; N-arylpiperazine
beta-lapachone	[no description available]	medium	6	0	benzochromenone; orthoquinones	anti-inflammatory agent; antineoplastic agent; plant metabolite
letrozole	[no description available]	medium	2	0	nitrile; triazoles	antineoplastic agent; EC 1.14.14.14 (aromatase) inhibitor
2-(4-morpholinyl)-8-phenyl-4h-1-benzopyran-4-one	[no description available]	medium	9	0	chromones; morpholines; organochlorine compound	autophagy inhibitor; EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor; geroprotector
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
niclosamide	[no description available]	high	4	0	benzamides; C-nitro compound; monochlorobenzenes; salicylanilides; secondary carboxamide	anthelminthic drug; anticoronaviral agent; antiparasitic agent; apoptosis inducer; molluscicide; piscicide; STAT3 inhibitor
patulin	[no description available]	medium	2	0	furopyran; gamma-lactone; lactol	antimicrobial agent; Aspergillus metabolite; carcinogenic agent; mutagen; mycotoxin; Penicillium metabolite
pd 153035	[no description available]	medium	1	0	aromatic amine; aromatic ether; bromobenzenes; quinazolines; secondary amino compound	EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor; epidermal growth factor receptor antagonist
pd 158780	[no description available]	medium	1	0	aromatic amine; bromobenzenes; diamine; pyridopyrimidine; secondary amino compound	antineoplastic agent; EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor
pd 98059	[no description available]	medium	7	0	aromatic amine; monomethoxyflavone	EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor; geroprotector
pioglitazone	[no description available]	medium	7	0	aromatic ether; pyridines; thiazolidinediones	antidepressant; cardioprotective agent; EC 2.7.1.33 (pantothenate kinase) inhibitor; EC 6.2.1.3 (long-chain-fatty-acid--CoA ligase) inhibitor; ferroptosis inhibitor; geroprotector; hypoglycemic agent; insulin-sensitizing drug; PPARgamma agonist; xenobiotic
propranolol	[no description available]	medium	7	0	naphthalenes; propanolamine; secondary amine	anti-arrhythmia drug; antihypertensive agent; anxiolytic drug; beta-adrenergic antagonist; environmental contaminant; human blood serum metabolite; vasodilator agent; xenobiotic
quetiapine	[no description available]	medium	1	0	dibenzothiazepine; N-alkylpiperazine; N-arylpiperazine	adrenergic antagonist; dopaminergic antagonist; histamine antagonist; second generation antipsychotic; serotonergic antagonist
raloxifene	[no description available]	medium	3	0	1-benzothiophenes; aromatic ketone; N-oxyethylpiperidine; phenols	bone density conservation agent; estrogen antagonist; estrogen receptor modulator
risperidone	[no description available]	medium	6	0	1,2-benzoxazoles; heteroarylpiperidine; organofluorine compound; pyridopyrimidine	alpha-adrenergic antagonist; dopaminergic antagonist; EC 3.4.21.26 (prolyl oligopeptidase) inhibitor; H1-receptor antagonist; psychotropic drug; second generation antipsychotic; serotonergic antagonist
rofecoxib	[no description available]	medium	2	0	butenolide; sulfone	analgesic; cyclooxygenase 2 inhibitor; non-steroidal anti-inflammatory drug
rolipram	[no description available]	medium	2	0	pyrrolidin-2-ones	antidepressant; EC 3.1.4.* (phosphoric diester hydrolase) inhibitor
imatinib	[no description available]	medium	2	0	aromatic amine; benzamides; N-methylpiperazine; pyridines; pyrimidines	antineoplastic agent; apoptosis inducer; tyrosine kinase inhibitor
terfenadine	[no description available]	medium	7	0	diarylmethane
thalidomide	[no description available]	medium	3	0	phthalimides; piperidones
troglitazone	[no description available]	medium	4	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
zm 336372	[no description available]	medium	1	0	benzamides
zonisamide	[no description available]	medium	4	0	1,2-benzoxazoles; sulfonamide	anticonvulsant; antioxidant; central nervous system drug; protective agent; T-type calcium channel blocker
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
paroxetine	[no description available]	medium	3	0	aromatic ether; benzodioxoles; organofluorine compound; piperidines	antidepressant; anxiolytic drug; hepatotoxic agent; P450 inhibitor; serotonin uptake inhibitor
lovastatin	[no description available]	high	5	0	delta-lactone; fatty acid ester; hexahydronaphthalenes; polyketide; statin (naturally occurring)	anticholesteremic drug; antineoplastic agent; Aspergillus metabolite; prodrug
simvastatin	[no description available]	medium	9	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
simvastatin	[no description available]	medium	9	1	delta-lactone; fatty acid ester; hexahydronaphthalenes; statin (semi-synthetic)	EC 1.1.1.34/EC 1.1.1.88 (hydroxymethylglutaryl-CoA reductase) inhibitor; EC 3.4.24.83 (anthrax lethal factor endopeptidase) inhibitor; ferroptosis inducer; geroprotector; prodrug
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
aromasil	[no description available]	medium	2	0	17-oxo steroid; 3-oxo-Delta(1),Delta(4)-steroid	antineoplastic agent; EC 1.14.14.14 (aromatase) inhibitor; environmental contaminant; xenobiotic
atorvastatin	[no description available]	medium	1	0	aromatic amide; dihydroxy monocarboxylic acid; monofluorobenzenes; pyrroles; statin (synthetic)	environmental contaminant; xenobiotic
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
mevastatin	[no description available]	medium	5	0	2-pyranones; carboxylic ester; hexahydronaphthalenes; polyketide; statin (naturally occurring)	antifungal agent; apoptosis inducer; EC 3.4.24.83 (anthrax lethal factor endopeptidase) inhibitor; fungal metabolite; Penicillium metabolite
sertraline	[no description available]	medium	3	0	dichlorobenzene; secondary amino compound; tetralins	antidepressant; serotonin uptake inhibitor
rosiglitazone	[no description available]	medium	7	0	aminopyridine; thiazolidinediones	EC 6.2.1.3 (long-chain-fatty-acid--CoA ligase) inhibitor; ferroptosis inhibitor; insulin-sensitizing drug
fulvestrant	[no description available]	high	3	0	17beta-hydroxy steroid; 3-hydroxy steroid; organofluorine compound; sulfoxide	antineoplastic agent; estrogen antagonist; estrogen receptor antagonist
tadalafil	[no description available]	medium	2	0	benzodioxoles; pyrazinopyridoindole	EC 3.1.4.35 (3',5'-cyclic-GMP phosphodiesterase) inhibitor; vasodilator agent
valdecoxib	[no description available]	medium	2	0	isoxazoles; sulfonamide	antipyretic; antirheumatic drug; cyclooxygenase 2 inhibitor; non-narcotic analgesic; non-steroidal anti-inflammatory drug
cyc 202	[no description available]	medium	4	0	2,6-diaminopurines	antiviral drug; EC 2.7.11.22 (cyclin-dependent kinase) inhibitor
angiotensin ii	[no description available]	medium	6	0	amino acid zwitterion; angiotensin II	human metabolite
sb 203580	[no description available]	medium	5	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
wortmannin	[no description available]	high	13	0	acetate ester; cyclic ketone; delta-lactone; organic heteropentacyclic compound	anticoronaviral agent; antineoplastic agent; autophagy inhibitor; EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor; geroprotector; Penicillium metabolite; radiosensitizing agent
acetylleucyl-leucyl-norleucinal	[no description available]	medium	1	0	aldehyde; tripeptide	cysteine protease inhibitor
trichostatin a	[no description available]	medium	5	0	antibiotic antifungal agent; hydroxamic acid; trichostatin	bacterial metabolite; EC 3.5.1.98 (histone deacetylase) inhibitor; geroprotector
tretinoin	[no description available]	high	10	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
cerivastatin	[no description available]	medium	3	0	dihydroxy monocarboxylic acid; pyridines; statin (synthetic)
rosuvastatin	[no description available]	medium	1	0	dihydroxy monocarboxylic acid; monofluorobenzenes; pyrimidines; statin (synthetic); sulfonamide	anti-inflammatory agent; antilipemic drug; cardioprotective agent; CETP inhibitor; environmental contaminant; xenobiotic
y 27632	[no description available]	medium	3	0	aromatic amide
epothilone a	[no description available]	high	2	0	epothilone; epoxide	antineoplastic agent; metabolite; microtubule-stabilising agent; tubulin modulator
h 89	[no description available]	medium	5	0	N-[2-(4-bromocinnamylamino)ethyl]isoquinoline-5-sulfonamide
benzyloxycarbonylleucyl-leucyl-leucine aldehyde	[no description available]	medium	10	0	amino aldehyde; carbamate ester; tripeptide	proteasome inhibitor
cinnarizine	[no description available]	medium	4	0	diarylmethane; N-alkylpiperazine; olefinic compound	anti-allergic agent; antiemetic; calcium channel blocker; geroprotector; H1-receptor antagonist; histamine antagonist; muscarinic antagonist
tamoxifen	[no description available]	high	9	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
toremifene	[no description available]	medium	1	0	aromatic ether; organochlorine compound; tertiary amine	antineoplastic agent; bone density conservation agent; estrogen antagonist; estrogen receptor modulator
sc 560	[no description available]	medium	3	0	aromatic ether; monochlorobenzenes; organofluorine compound; pyrazoles	angiogenesis modulating agent; antineoplastic agent; apoptosis inducer; cyclooxygenase 1 inhibitor; non-steroidal anti-inflammatory drug
apigenin	[no description available]	high	8	0	trihydroxyflavone	antineoplastic agent; metabolite
genistein	[no description available]	high	13	0	7-hydroxyisoflavones	antineoplastic agent; EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor; geroprotector; human urinary metabolite; phytoestrogen; plant metabolite; tyrosine kinase inhibitor
sirolimus	[no description available]	high	14	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
brefeldin a	[no description available]	medium	5	0	macrolide antibiotic	Penicillium metabolite
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
lysophosphatidic acid	[no description available]	medium	1	0	1-acyl-sn-glycerol 3-phosphate
bay 11-7082	[no description available]	medium	1	0	nitrile; sulfone	apoptosis inducer; EC 2.7.11.10 (IkappaB kinase) inhibitor; EC 3.1.3.48 (protein-tyrosine-phosphatase) inhibitor; non-steroidal anti-inflammatory drug; platelet aggregation 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
tanespimycin	[no description available]	medium	1	0	1,4-benzoquinones; ansamycin; carbamate ester; organic heterobicyclic compound; secondary amino compound	antineoplastic agent; apoptosis inducer; Hsp90 inhibitor
gw 1929	[no description available]	medium	3	0	benzophenones
2-[(3-iodophenyl)methylthio]-5-pyridin-4-yl-1,3,4-oxadiazole	[no description available]	medium	1	0	aryl sulfide
ci 940	[no description available]	medium	1	0	hydroxy polyunsaturated fatty acid; leptomycin	antifungal agent; bacterial metabolite
pifithrin-alpha	[no description available]	medium	1	0
clozapine	[no description available]	medium	6	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
sildenafil	[no description available]	medium	1	0	piperazines; pyrazolopyrimidine; sulfonamide	EC 3.1.4.35 (3',5'-cyclic-GMP phosphodiesterase) inhibitor; vasodilator agent
olanzapine	[no description available]	medium	3	0	benzodiazepine; N-arylpiperazine; N-methylpiperazine	antiemetic; dopaminergic antagonist; histamine antagonist; muscarinic antagonist; second generation antipsychotic; serotonergic antagonist; serotonin uptake inhibitor
vardenafil	[no description available]	medium	1	0	imidazotriazine; N-alkylpiperazine; N-sulfonylpiperazine	EC 3.1.4.* (phosphoric diester hydrolase) inhibitor; vasodilator agent
ciprofloxacin	[no description available]	medium	2	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
iodoacetic acid	[no description available]	medium	20	0	haloacetic acid; organoiodine compound	alkylating agent
penicillin g	[no description available]	medium	6	0	penicillin allergen; penicillin	antibacterial drug; drug allergen; epitope
chloramphenicol	[no description available]	medium	14	0	C-nitro compound; carboxamide; diol; organochlorine compound	antibacterial drug; antimicrobial agent; Escherichia coli metabolite; geroprotector; Mycoplasma genitalium metabolite; protein synthesis inhibitor
erythromycin	[no description available]	medium	6	0	cyclic ketone; erythromycin
antimycin a	[no description available]	medium	7	0	benzamides; formamides; macrodiolide; phenols	antifungal agent; mitochondrial respiratory-chain inhibitor; piscicide
vancomycin	[no description available]	medium	3	0	glycopeptide	antibacterial drug; antimicrobial agent; bacterial metabolite
streptomycin	[no description available]	medium	3	0	antibiotic antifungal drug; antibiotic fungicide; streptomycins	antibacterial drug; antifungal agrochemical; antimicrobial agent; antimicrobial drug; bacterial metabolite; protein synthesis inhibitor
floxacillin	[no description available]	medium	2	0	penicillin allergen; penicillin	antibacterial drug
cefazolin	[no description available]	medium	1	0	beta-lactam antibiotic allergen; cephalosporin; tetrazoles; thiadiazoles	antibacterial drug
sodium azide	[no description available]	medium	34	0	inorganic sodium salt	antibacterial agent; explosive; mitochondrial respiratory-chain inhibitor; mutagen
amoxicillin	[no description available]	medium	4	0	penicillin allergen; penicillin	antibacterial drug
tobramycin	[no description available]	medium	4	0	amino cyclitol glycoside	antibacterial agent; antimicrobial agent; toxin
adenosine	[no description available]	medium	15	0	adenosines; purines D-ribonucleoside	analgesic; anti-arrhythmia drug; fundamental metabolite; human metabolite; vasodilator agent
moxifloxacin	[no description available]	medium	2	0	aromatic ether; cyclopropanes; fluoroquinolone antibiotic; pyrrolidinopiperidine; quinolinemonocarboxylic acid; quinolone antibiotic; quinolone	antibacterial drug
linezolid	[no description available]	medium	2	0	acetamides; morpholines; organofluorine compound; oxazolidinone	antibacterial drug; protein synthesis inhibitor
clindamycin	[no description available]	medium	1	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	4	0	macrolide antibiotic	antibacterial drug; environmental contaminant; xenobiotic
lincomycin	[no description available]	medium	2	0	carbohydrate-containing antibiotic; L-proline derivative; monocarboxylic acid amide; pyrrolidinecarboxamide; S-glycosyl compound	antimicrobial agent; bacterial metabolite
roxithromycin	[no description available]	medium	2	0	roxithromycin	environmental contaminant; xenobiotic
tetracycline	[no description available]	medium	7	0
rifampin	[no description available]	high	13	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
inermin	[no description available]	medium	1	0	maackiain
homopterocarpin	[no description available]	medium	1	0	pterocarpans
eriodictyol	[no description available]	medium	2	0	3'-hydroxyflavanones; tetrahydroxyflavanone
cabreuvin	[no description available]	medium	1	0	methoxyisoflavone
formononetin	[no description available]	medium	2	0	4'-methoxyisoflavones; 7-hydroxyisoflavones	phytoestrogen; plant metabolite
luteolin	[no description available]	high	5	0	3'-hydroxyflavonoid; tetrahydroxyflavone	angiogenesis inhibitor; anti-inflammatory agent; antineoplastic agent; apoptosis inducer; c-Jun N-terminal kinase inhibitor; EC 2.3.1.85 (fatty acid synthase) inhibitor; immunomodulator; nephroprotective agent; plant metabolite; radical scavenger; vascular endothelial growth factor receptor antagonist
7,3'-dihydroxy-4'-methoxyisoflavone	[no description available]	medium	1	0	4'-methoxyisoflavones; 7-hydroxyisoflavones	antioxidant; metabolite
calcitriol	[no description available]	high	6	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
orobol	[no description available]	medium	1	0	7-hydroxyisoflavones	anti-inflammatory agent; fungal metabolite; plant metabolite; radical scavenger
wighteone	[no description available]	medium	1	0	7-hydroxyisoflavones	antifungal agent; plant metabolite
3'-o-methylorobol	[no description available]	medium	1	0	hydroxyisoflavone; methoxyisoflavone	plant metabolite
alpinumisoflavone	[no description available]	medium	1	0	isoflavanones	metabolite
lasiodiplodin	[no description available]	medium	1	0
derrone	[no description available]	medium	1	0	isoflavonoid
gamma-aminobutyric acid	[no description available]	medium	11	0	amino acid zwitterion; gamma-amino acid; monocarboxylic acid	human metabolite; neurotransmitter; Saccharomyces cerevisiae metabolite; signalling molecule
acetamide	[no description available]	medium	1	0	acetamides; carboximidic acid; monocarboxylic acid amide; N-acylammonia
quinacrine	[no description available]	medium	18	0	acridines; aromatic ether; organochlorine compound; tertiary amino compound	antimalarial; EC 1.8.1.12 (trypanothione-disulfide reductase) inhibitor
catechol	[no description available]	medium	3	0	catechols	allelochemical; genotoxin; plant metabolite
taxifolin	[no description available]	medium	2	0	3'-hydroxyflavanones; 4'-hydroxyflavanones; dihydroflavonols; pentahydroxyflavanone; secondary alpha-hydroxy ketone
phosphonoacetic acid	[no description available]	medium	2	0	monocarboxylic acid; phosphonic acids	antiviral agent; EC 2.7.7.7 (DNA-directed DNA polymerase) inhibitor
3,4-dihydroxyphenylacetic acid	[no description available]	medium	20	0	catechols; dihydroxyphenylacetic acid	human metabolite
aminocaproic acid	[no description available]	medium	3	0	amino acid zwitterion; epsilon-amino acid; omega-amino fatty acid	antifibrinolytic drug; hematologic agent; metabolite
diacetyl	[no description available]	medium	1	0	alpha-diketone	Escherichia coli metabolite; Saccharomyces cerevisiae metabolite
melatonin	[no description available]	medium	24	0	acetamides; tryptamines	anticonvulsant; central nervous system depressant; geroprotector; hormone; human metabolite; immunological adjuvant; mouse metabolite; radical scavenger
n-acetylserotonin	[no description available]	medium	1	0	acetamides; N-acylserotonin; phenols	antioxidant; human metabolite; mouse metabolite; tropomyosin-related kinase B receptor agonist
pyrazinamide	[no description available]	medium	5	0	monocarboxylic acid amide; N-acylammonia; pyrazines	antitubercular agent; prodrug
quinolinic acid	[no description available]	medium	2	0	pyridinedicarboxylic acid	Escherichia coli metabolite; human metabolite; mouse metabolite; NMDA receptor agonist
taurine	[no description available]	medium	3	0	amino sulfonic acid; zwitterion	antioxidant; Escherichia coli metabolite; glycine receptor agonist; human metabolite; mouse metabolite; nutrient; radical scavenger; Saccharomyces cerevisiae metabolite
2-amino-5-phosphonovalerate	[no description available]	medium	4	0	non-proteinogenic alpha-amino acid	NMDA receptor antagonist
alpha-methyl-4-carboxyphenylglycine	[no description available]	medium	1	0
3-(2-carboxypiperazin-4-yl)propyl-1-phosphonic acid	[no description available]	medium	1	0
1-hydroxy-3-amino-2-pyrrolidone	[no description available]	medium	1	0
ibotenic acid	[no description available]	medium	1	0	non-proteinogenic alpha-amino acid	neurotoxin
n(8)-bromoacetyl-n(1)-3'-(4-indolyloxy)-2'-hydroxypropyl-1,8-diamino-4-menthane	[no description available]	medium	1	0
sk&f-38393	[no description available]	medium	2	0	benzazepine; catechols; secondary amino compound
vanilmandelic acid	[no description available]	medium	1	0	2-hydroxy monocarboxylic acid; aromatic ether; phenols	human metabolite
1,10-diaminodecane	[no description available]	medium	2	0
1,3-diethyl-8-phenylxanthine	[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
1,3-dipropyl-8-(4-sulfophenyl)xanthine	[no description available]	medium	1	0
1,5-dihydroxyisoquinoline	[no description available]	medium	1	0	isoquinolinol	EC 2.4.2.30 (NAD(+) ADP-ribosyltransferase) inhibitor
pk 11195	[no description available]	medium	4	0	aromatic amide; isoquinolines; monocarboxylic acid amide; monochlorobenzenes	antineoplastic agent
1-(2-trifluoromethylphenyl)imidazole	[no description available]	medium	1	0	imidazoles
1-aminobenzotriazole	[no description available]	medium	2	0
1-methylimidazole	[no description available]	medium	1	0	imidazoles
edelfosine	[no description available]	medium	2	0	glycerophosphocholine
1h-(1,2,4)oxadiazolo(4,3-a)quinoxalin-1-one	[no description available]	medium	3	0	oxadiazoloquinoxaline	EC 4.6.1.2 (guanylate cyclase) inhibitor
2,2'-dipyridyl	[no description available]	medium	2	0	bipyridine	chelator; ferroptosis inhibitor
2-hydroxysaclofen	[no description available]	medium	1	0	organochlorine compound
3,4-dichloroisocoumarin	[no description available]	medium	2	0	isocoumarins; organochlorine compound	geroprotector; serine protease inhibitor
phaclofen	[no description available]	medium	1	0	organophosphate oxoanion; zwitterion
3-aminobenzamide	[no description available]	medium	1	0	benzamides; substituted aniline	EC 2.4.2.30 (NAD(+) ADP-ribosyltransferase) inhibitor
3-bromo-7-nitroindazole	[no description available]	medium	1	0
enprofylline	[no description available]	medium	1	0	oxopurine	anti-arrhythmia drug; anti-asthmatic drug; bronchodilator agent; non-steroidal anti-inflammatory drug
3-nitropropionic acid	[no description available]	medium	21	0	C-nitro compound	antimycobacterial drug; EC 1.3.5.1 [succinate dehydrogenase (quinone)] inhibitor; mycotoxin; neurotoxin
4-amino-1,8-naphthalimide	[no description available]	medium	2	0	benzoisoquinoline; dicarboximide
4-aminopyridine	[no description available]	medium	2	0	aminopyridine; aromatic amine	avicide; orphan drug; potassium channel blocker
homovanillic acid	[no description available]	medium	8	0	guaiacols; monocarboxylic acid	human metabolite; mouse metabolite
4-hydroxybenzoic acid hydrazide	[no description available]	medium	1	0	carbohydrazide; phenols
4-phenyl-3-furoxancarbonitrile	[no description available]	medium	2	0	1,2,5-oxadiazole; benzenes; N-oxide; nitrile	geroprotector; nitric oxide donor; platelet aggregation inhibitor; soluble guanylate cyclase activator; vasodilator agent
5,5-dimethyl-1-pyrroline-1-oxide	[no description available]	medium	4	0	1-pyrroline nitrones	neuroprotective agent; spin trapping reagent
phenytoin	[no description available]	medium	5	0	imidazolidine-2,4-dione	anticonvulsant; drug allergen; sodium channel blocker; teratogenic agent
5,7-dichlorokynurenic acid	[no description available]	medium	1	0	quinolines
5-(n,n-hexamethylene)amiloride	[no description available]	medium	3	0	aromatic amine; azepanes; guanidines; monocarboxylic acid amide; organochlorine compound; pyrazines	antineoplastic agent; apoptosis inducer; odorant receptor antagonist; sodium channel blocker
ethylisopropylamiloride	[no description available]	medium	3	0	aromatic amine; guanidines; monocarboxylic acid amide; organochlorine compound; pyrazines; tertiary amino compound	anti-arrhythmia drug; neuroprotective agent; sodium channel blocker
5-fluoroindole-2-carboxylic acid	[no description available]	medium	2	0	indolyl carboxylic acid
hydroxyindoleacetic acid	[no description available]	medium	5	0	indole-3-acetic acids	drug metabolite; human metabolite; mouse metabolite
phenanthridone	[no description available]	medium	2	0	lactam; phenanthridines	EC 2.4.2.30 (NAD(+) ADP-ribosyltransferase) inhibitor; immunosuppressive agent; mutagen
6-chloromelatonin	[no description available]	medium	1	0	acetamides
6-hydroxymelatonin	[no description available]	medium	1	0	acetamides; tryptamines	metabolite; mouse metabolite
6-methoxytryptoline	[no description available]	medium	1	0
6-nitroso-1,2-benzopyrone	[no description available]	medium	2	0
7-chlorokynurenic acid	[no description available]	medium	1	0	organochlorine compound; quinolinemonocarboxylic acid	neuroprotective agent; NMDA receptor antagonist
7-nitroindazole	[no description available]	medium	3	0
8-(4-sulfophenyl)theophylline	[no description available]	medium	2	0
8-cyclopentyl-1,3-dimethylxanthine	[no description available]	medium	1	0	oxopurine
8-phenyltheophylline	[no description available]	medium	1	0
acetazolamide	[no description available]	medium	4	0	monocarboxylic acid amide; sulfonamide; thiadiazoles	anticonvulsant; diuretic; EC 4.2.1.1 (carbonic anhydrase) inhibitor
acetohexamide	[no description available]	medium	3	0	acetophenones; N-sulfonylurea	hypoglycemic agent; insulin secretagogue
ag 127	[no description available]	medium	2	0	nitrophenol
rtki cpd	[no description available]	medium	2	0	aromatic ether; monochlorobenzenes; quinazolines	antineoplastic agent; antiviral agent; epidermal growth factor receptor antagonist; geroprotector
tyrphostin a23	[no description available]	medium	2	0	catechols
tyrphostin 25	[no description available]	medium	2	0	benzenetriol
tyrphostin a1	[no description available]	medium	1	0	methoxybenzenes	geroprotector
1-aminoindan-1,5-dicarboxylic acid	[no description available]	medium	1	0
alpha-methyltyrosine methyl ester	[no description available]	medium	1	0
altretamine	[no description available]	medium	1	0	triamino-1,3,5-triazine
amfonelic acid	[no description available]	medium	1	0
amifostine anhydrous	[no description available]	medium	1	0	diamine; organic thiophosphate	antioxidant; prodrug; radiation protective agent
theophylline	[no description available]	medium	8	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
amoxapine	[no description available]	medium	5	0	dibenzooxazepine	adrenergic uptake inhibitor; antidepressant; dopaminergic antagonist; geroprotector; serotonin uptake inhibitor
aniracetam	[no description available]	medium	1	0	N-acylpyrrolidine; pyrrolidin-2-ones
2-amino-4-phosphonobutyric acid	[no description available]	medium	1	0
aspirin	[no description available]	medium	4	0	benzoic acids; phenyl acetates; salicylates	anticoagulant; antipyretic; cyclooxygenase 1 inhibitor; cyclooxygenase 2 inhibitor; drug allergen; EC 1.1.1.188 (prostaglandin-F synthase) inhibitor; geroprotector; non-narcotic analgesic; non-steroidal anti-inflammatory drug; plant activator; platelet aggregation inhibitor; prostaglandin antagonist; teratogenic agent
atenolol	[no description available]	medium	4	0	ethanolamines; monocarboxylic acid amide; propanolamine	anti-arrhythmia drug; antihypertensive agent; beta-adrenergic antagonist; environmental contaminant; sympatholytic agent; xenobiotic
alpha-amino-3-hydroxy-5-tert-butyl-4-isoxazolepropionate	[no description available]	medium	1	0	alpha-amino acid
aurintricarboxylic acid	[no description available]	medium	2	0	monohydroxybenzoic acid; quinomethanes; tricarboxylic acid	fluorochrome; histological dye; insulin-like growth factor receptor 1 antagonist
azathioprine	[no description available]	medium	5	0	aryl sulfide; C-nitro compound; imidazoles; thiopurine	antimetabolite; antineoplastic agent; carcinogenic agent; DNA synthesis inhibitor; hepatotoxic agent; immunosuppressive agent; prodrug
azelaic acid	[no description available]	medium	1	0	alpha,omega-dicarboxylic acid; dicarboxylic fatty acid	antibacterial agent; antineoplastic agent; dermatologic drug; plant metabolite
baclofen	[no description available]	medium	2	0	amino acid zwitterion; gamma-amino acid; monocarboxylic acid; monochlorobenzenes; primary amino compound	central nervous system depressant; GABA agonist; muscle relaxant
bay-k-8644	[no description available]	medium	2	0	(trifluoromethyl)benzenes; C-nitro compound; dihydropyridine; methyl ester
benzamide	[no description available]	medium	1	0	benzamides
bepridil	[no description available]	medium	1	0	pyrrolidines; tertiary amine	anti-arrhythmia drug; antihypertensive agent; calcium channel blocker; vasodilator agent
bml 190	[no description available]	medium	2	0	N-acylindole
brimonidine	[no description available]	medium	2	0	imidazoles; quinoxaline derivative; secondary amine	adrenergic agonist; alpha-adrenergic agonist; antihypertensive agent
bumetanide	[no description available]	medium	6	0	amino acid; benzoic acids; sulfonamide	diuretic; EC 3.6.3.49 (channel-conductance-controlling ATPase) inhibitor
carbamazepine	[no description available]	medium	6	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
carbetapentane	[no description available]	medium	1	0	benzenes
carisoprodol	[no description available]	medium	1	0	carbamate ester	muscle relaxant
carmustine	[no description available]	high	5	0	N-nitrosoureas; organochlorine compound	alkylating agent; antineoplastic agent
cgs 12066	[no description available]	medium	1	0	N-arylpiperazine; organofluorine compound; pyrroloquinoxaline	serotonergic agonist
cgs 15943	[no description available]	medium	2	0	aromatic amine; biaryl; furans; organochlorine compound; primary amino compound; quinazolines; triazoloquinazoline	adenosine A1 receptor antagonist; adenosine A2A receptor antagonist; antineoplastic agent; central nervous system stimulant
chlorambucil	[no description available]	medium	3	0	aromatic amine; monocarboxylic acid; nitrogen mustard; organochlorine compound; tertiary amino compound	alkylating agent; antineoplastic agent; carcinogenic agent; drug allergen; immunosuppressive agent
chlormezanone	[no description available]	medium	1	0	1,3-thiazine; lactam; monochlorobenzenes; sulfone	antipsychotic agent; anxiolytic drug; muscle relaxant
chlorothiazide	[no description available]	medium	1	0	benzothiadiazine	antihypertensive agent; diuretic
chlorpropamide	[no description available]	medium	4	0	monochlorobenzenes; N-sulfonylurea	hypoglycemic agent; insulin secretagogue
chlorzoxazone	[no description available]	medium	5	0	1,3-benzoxazoles; heteroaryl hydroxy compound; organochlorine compound	muscle relaxant; sedative
cilostamide	[no description available]	medium	2	0	quinolines
cilostazol	[no description available]	medium	5	0	lactam; tetrazoles	anticoagulant; bronchodilator agent; EC 3.1.4.17 (3',5'-cyclic-nucleotide phosphodiesterase) inhibitor; fibrin modulating drug; neuroprotective agent; platelet aggregation inhibitor; vasodilator agent
cimetidine	[no description available]	medium	7	0	aliphatic sulfide; guanidines; imidazoles; nitrile	adjuvant; analgesic; anti-ulcer drug; H2-receptor antagonist; P450 inhibitor
cinoxacin	[no description available]	medium	2	0	cinnolines; oxacycle; oxo carboxylic acid	antibacterial drug; antiinfective agent
cx546	[no description available]	medium	1	0
cyclothiazide	[no description available]	medium	1	0	benzothiadiazine	antihypertensive agent; diuretic
dephostatin	[no description available]	medium	1	0
nonivamide	[no description available]	medium	1	0	capsaicinoid; phenols	lachrymator
r 59022	[no description available]	medium	1	0	diarylmethane
diazoxide	[no description available]	medium	11	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
pentetic acid	[no description available]	medium	1	0	pentacarboxylic acid	copper chelator
diphenyleneiodonium	[no description available]	medium	31	0	organic cation
dipyridamole	[no description available]	medium	7	0	piperidines; pyrimidopyrimidine; tertiary amino compound; tetrol	adenosine phosphodiesterase inhibitor; EC 3.5.4.4 (adenosine deaminase) inhibitor; platelet aggregation inhibitor; vasodilator agent
disopyramide	[no description available]	medium	2	0	monocarboxylic acid amide; pyridines; tertiary amino compound	anti-arrhythmia drug
disulfiram	[no description available]	high	5	0	organic disulfide; organosulfur acaricide	angiogenesis inhibitor; antineoplastic agent; apoptosis inducer; EC 1.2.1.3 [aldehyde dehydrogenase (NAD(+))] inhibitor; EC 3.1.1.1 (carboxylesterase) inhibitor; EC 3.1.1.8 (cholinesterase) inhibitor; EC 5.99.1.2 (DNA topoisomerase) inhibitor; ferroptosis inducer; fungicide; NF-kappaB inhibitor
2-amino-7-phosphonoheptanoic acid	[no description available]	medium	1	0
thiorphan	[no description available]	medium	1	0	N-acyl-amino acid
2,3-dimethoxy-1,4-naphthoquinone	[no description available]	medium	3	0	1,4-naphthoquinones
domperidone	[no description available]	medium	3	0	benzimidazoles; heteroarylpiperidine	antiemetic; dopaminergic antagonist
droperidol	[no description available]	medium	2	0	aromatic ketone; benzimidazoles; organofluorine compound	anaesthesia adjuvant; antiemetic; dopaminergic antagonist; first generation antipsychotic
ebselen	[no description available]	medium	2	0	benzoselenazole	anti-inflammatory drug; antibacterial agent; anticoronaviral agent; antifungal agent; antineoplastic agent; antioxidant; apoptosis inducer; EC 1.13.11.33 (arachidonate 15-lipoxygenase) inhibitor; EC 1.13.11.34 (arachidonate 5-lipoxygenase) inhibitor; EC 1.3.1.8 [acyl-CoA dehydrogenase (NADP(+))] inhibitor; EC 1.8.1.12 (trypanothione-disulfide reductase) inhibitor; EC 2.5.1.7 (UDP-N-acetylglucosamine 1-carboxyvinyltransferase) inhibitor; EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor; EC 3.1.3.25 (inositol-phosphate phosphatase) inhibitor; EC 3.4.22.69 (SARS coronavirus main proteinase) inhibitor; EC 3.5.4.1 (cytosine deaminase) inhibitor; EC 5.1.3.2 (UDP-glucose 4-epimerase) inhibitor; enzyme mimic; ferroptosis inhibitor; genotoxin; hepatoprotective agent; neuroprotective agent; radical scavenger
emodin	[no description available]	high	4	0	trihydroxyanthraquinone	antineoplastic agent; laxative; plant metabolite; tyrosine kinase inhibitor
ethosuximide	[no description available]	medium	4	0	dicarboximide; pyrrolidinone	anticonvulsant; geroprotector; T-type calcium channel blocker
etodolac	[no description available]	medium	1	0	monocarboxylic acid; organic heterotricyclic compound	antipyretic; cyclooxygenase 2 inhibitor; non-narcotic analgesic; non-steroidal anti-inflammatory drug
felbamate	[no description available]	medium	3	0	carbamate ester	anticonvulsant; neuroprotective agent
felodipine	[no description available]	medium	4	0	dichlorobenzene; dihydropyridine; ethyl ester; methyl ester	anti-arrhythmia drug; antihypertensive agent; calcium channel blocker; vasodilator agent
flumazenil	[no description available]	medium	4	0	ethyl ester; imidazobenzodiazepine; organofluorine compound	antidote to benzodiazepine poisoning; GABA antagonist
fluorouracil	[no description available]	high	7	0	nucleobase analogue; organofluorine compound	antimetabolite; antineoplastic agent; environmental contaminant; immunosuppressive agent; radiosensitizing agent; xenobiotic
fluspirilene	[no description available]	medium	4	0	diarylmethane
flutamide	[no description available]	medium	6	0	(trifluoromethyl)benzenes; monocarboxylic acid amide	androgen antagonist; antineoplastic agent
formoterol fumarate	[no description available]	medium	2	0	formamides; phenols; phenylethanolamines; secondary alcohol; secondary amino compound
fpl 64176	[no description available]	medium	2	0	carboxylic ester; pyrroles	calcium channel agonist
furafylline	[no description available]	medium	1	0	oxopurine
furosemide	[no description available]	medium	11	0	chlorobenzoic acid; furans; sulfonamide	environmental contaminant; loop diuretic; xenobiotic
fusaric acid	[no description available]	medium	1	0	aromatic carboxylic acid; pyridines
gabapentin	[no description available]	medium	3	0	gamma-amino acid	anticonvulsant; calcium channel blocker; environmental contaminant; xenobiotic
4-amino-5-hexynoic acid	[no description available]	medium	1	0
glipizide	[no description available]	medium	3	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	16	0	monochlorobenzenes; N-sulfonylurea	anti-arrhythmia drug; EC 2.7.1.33 (pantothenate kinase) inhibitor; EC 3.6.3.49 (channel-conductance-controlling ATPase) inhibitor; hypoglycemic agent
1-(5-isoquinolinesulfonyl)piperazine	[no description available]	medium	1	0	isoquinolines
haloperidol	[no description available]	medium	8	0	aromatic ketone; hydroxypiperidine; monochlorobenzenes; organofluorine compound; tertiary alcohol	antidyskinesia agent; antiemetic; dopaminergic antagonist; first generation antipsychotic; serotonergic antagonist
hemicholinium 3	[no description available]	medium	1	0	morpholines
4-fluorohexahydrosiladifenidol	[no description available]	medium	1	0
hydrochlorothiazide	[no description available]	medium	5	0	benzothiadiazine; organochlorine compound; sulfonamide	antihypertensive agent; diuretic; environmental contaminant; xenobiotic
hydroxyurea	[no description available]	high	8	0	one-carbon compound; ureas	antimetabolite; antimitotic; antineoplastic agent; DNA synthesis inhibitor; EC 1.17.4.1 (ribonucleoside-diphosphate reductase) inhibitor; genotoxin; immunomodulator; radical scavenger; teratogenic agent
ibudilast	[no description available]	medium	1	0	pyrazolopyridine
ibuprofen	[no description available]	medium	7	0	monocarboxylic acid	antipyretic; cyclooxygenase 1 inhibitor; cyclooxygenase 2 inhibitor; drug allergen; environmental contaminant; geroprotector; non-narcotic analgesic; non-steroidal anti-inflammatory drug; radical scavenger; xenobiotic
ic 261	[no description available]	medium	2	0	indoles
ifenprodil	[no description available]	medium	2	0	piperidines
indirubin-3'-monoxime	[no description available]	medium	2	0
indomethacin	[no description available]	medium	10	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
iodoacetamide	[no description available]	medium	4	0
1-methyl-3-isobutylxanthine	[no description available]	medium	5	0	3-isobutyl-1-methylxanthine
4-piperidinecarboxylic acid	[no description available]	medium	2	0
4-(4'-hydroxyphenyl)-amino-6,7-dimethoxyquinazoline	[no description available]	medium	1	0
jl 18	[no description available]	medium	2	0
nsc 664704	[no description available]	medium	3	0	indolobenzazepine; lactam; organobromine compound	cardioprotective agent; EC 2.7.11.22 (cyclin-dependent kinase) inhibitor; EC 2.7.11.26 (tau-protein kinase) inhibitor; geroprotector
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
kynurenic acid	[no description available]	medium	2	0	monohydroxyquinoline; quinolinemonocarboxylic acid	G-protein-coupled receptor agonist; human metabolite; neuroprotective agent; nicotinic antagonist; NMDA receptor antagonist; Saccharomyces cerevisiae metabolite
2-amino-3-phosphonopropionic acid	[no description available]	medium	1	0	alanine derivative; non-proteinogenic alpha-amino acid; phosphonic acids	human metabolite; metabotropic glutamate receptor antagonist
lamotrigine	[no description available]	medium	4	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	4	0	benzimidazoles; pyridines; sulfoxide	anti-ulcer drug; EC 3.6.3.10 (H(+)/K(+)-exchanging ATPase) inhibitor
leflunomide	[no description available]	medium	4	0	(trifluoromethyl)benzenes; isoxazoles; monocarboxylic acid amide	antineoplastic agent; antiparasitic agent; EC 1.3.98.1 [dihydroorotate oxidase (fumarate)] inhibitor; EC 3.1.3.16 (phosphoprotein phosphatase) inhibitor; hepatotoxic agent; immunosuppressive agent; non-steroidal anti-inflammatory drug; prodrug; pyrimidine synthesis inhibitor; tyrosine kinase inhibitor
linopirdine	[no description available]	medium	2	0	indoles
loratadine	[no description available]	medium	4	0	benzocycloheptapyridine; ethyl ester; N-acylpiperidine; organochlorine compound; tertiary carboxamide	anti-allergic agent; cholinergic antagonist; geroprotector; H1-receptor antagonist
loxoprofen	[no description available]	medium	1	0	cyclopentanones; monocarboxylic acid	antipyretic; EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor; non-narcotic analgesic; non-steroidal anti-inflammatory drug; prodrug
meclofenamate sodium anhydrous	[no description available]	medium	3	0	organic sodium salt
methiothepin	[no description available]	medium	1	0	aryl sulfide; dibenzothiepine; N-alkylpiperazine; tertiary amino compound	antipsychotic agent; dopaminergic antagonist; geroprotector; serotonergic antagonist
methoctramine	[no description available]	medium	1	0	aromatic ether; tetramine	muscarinic antagonist
nocodazole	[no description available]	high	8	0	aromatic ketone; benzimidazoles; carbamate ester; thiophenes	antimitotic; antineoplastic agent; microtubule-destabilising agent; tubulin modulator
3-Hydroxy-alpha-methyl-DL-tyrosine	[no description available]	medium	1	0	benzenes; monocarboxylic acid
metolazone	[no description available]	medium	4	0	organochlorine compound; quinazolines; sulfonamide	antihypertensive agent; diuretic; ion transport inhibitor
minoxidil	[no description available]	medium	2	0	dialkylarylamine; tertiary amino compound
mitotane	[no description available]	medium	1	0	diarylmethane
mitoxantrone	[no description available]	high	5	0	dihydroxyanthraquinone	analgesic; antineoplastic agent
ml 7	[no description available]	medium	2	0	N-sulfonyldiazepane; organoiodine compound	EC 2.7.11.18 (myosin-light-chain kinase) inhibitor
n-(4-aminobutyl)-5-chloro-2-naphthalenesulfonamide	[no description available]	medium	1	0	naphthalenes; organochlorine compound; primary amino compound; sulfonamide
n-bromoacetamide	[no description available]	medium	1	0
ethylmaleimide	[no description available]	medium	36	0	maleimides	anticoronaviral agent; EC 1.3.1.8 [acyl-CoA dehydrogenase (NADP(+))] inhibitor; EC 2.1.1.122 [(S)-tetrahydroprotoberberine N-methyltransferase] inhibitor; EC 2.7.1.1 (hexokinase) inhibitor
fg 7142	[no description available]	medium	2	0	beta-carbolines
fenamic acid	[no description available]	medium	1	0	aminobenzoic acid; secondary amino compound	membrane transport modulator
n 0840	[no description available]	medium	2	0
nialamide	[no description available]	medium	3	0	organonitrogen compound; organooxygen compound
nifedipine	[no description available]	medium	12	0	C-nitro compound; dihydropyridine; methyl ester	calcium channel blocker; human metabolite; tocolytic agent; vasodilator agent
niflumic acid	[no description available]	medium	2	0	aromatic carboxylic acid; pyridines
nilutamide	[no description available]	medium	1	0	(trifluoromethyl)benzenes; C-nitro compound; imidazolidinone	androgen antagonist; antineoplastic agent
nimesulide	[no description available]	medium	5	0	aromatic ether; C-nitro compound; sulfonamide	cyclooxygenase 2 inhibitor; non-steroidal anti-inflammatory drug
nimodipine	[no description available]	medium	6	0	2-methoxyethyl ester; C-nitro compound; dicarboxylic acids and O-substituted derivatives; diester; dihydropyridine; isopropyl ester	antihypertensive agent; calcium channel blocker; cardiovascular drug; vasodilator agent
nipecotic acid	[no description available]	medium	1	0	beta-amino acid; piperidinemonocarboxylic acid
nitrendipine	[no description available]	medium	4	0	C-nitro compound; dicarboxylic acids and O-substituted derivatives; diester; dihydropyridine; ethyl ester; methyl ester	antihypertensive agent; calcium channel blocker; geroprotector; vasodilator agent
masoprocol	[no description available]	medium	2	0	catechols; lignan; tetrol	antioxidant; ferroptosis inhibitor; geroprotector; plant metabolite
5-nitro-2-(3-phenylpropylamino)benzoic acid	[no description available]	medium	3	0	nitrobenzoic acid
ns 2028	[no description available]	medium	2	0
ns 1619	[no description available]	medium	3	0	(trifluoromethyl)benzenes; benzimidazoles; phenols	potassium channel opener
o(6)-benzylguanine	[no description available]	medium	1	0
ofloxacin	[no description available]	medium	4	0	3-oxo monocarboxylic acid; N-arylpiperazine; N-methylpiperazine; organofluorine compound; oxazinoquinoline
olomoucine	[no description available]	medium	2	0	2,6-diaminopurines; ethanolamines	EC 2.7.11.22 (cyclin-dependent kinase) inhibitor
oxaprozin	[no description available]	medium	5	0	1,3-oxazoles; monocarboxylic acid	analgesic; non-steroidal anti-inflammatory drug
oxatomide	[no description available]	medium	2	0	benzimidazoles; diarylmethane; N-alkylpiperazine	anti-allergic agent; anti-inflammatory agent; geroprotector; H1-receptor antagonist; serotonergic antagonist
oxiracetam	[no description available]	medium	1	0	organonitrogen compound; organooxygen compound
oxolinic acid	[no description available]	medium	1	0	aromatic carboxylic acid; organic heterotricyclic compound; oxacycle; quinolinemonocarboxylic acid; quinolone antibiotic	antibacterial drug; antifungal agent; antiinfective agent; antimicrobial agent; enzyme inhibitor
fenclonine	[no description available]	medium	1	0	phenylalanine derivative
palmidrol	[no description available]	medium	2	0	endocannabinoid; N-(long-chain-acyl)ethanolamine; N-(saturated fatty acyl)ethanolamine	anti-inflammatory drug; anticonvulsant; antihypertensive agent; neuroprotective agent
1,7-dimethylxanthine	[no description available]	medium	1	0	dimethylxanthine	central nervous system stimulant; human blood serum metabolite; human xenobiotic metabolite; mouse metabolite
pentamidine	[no description available]	medium	2	0	aromatic ether; carboxamidine; diether	anti-inflammatory agent; antifungal agent; calmodulin antagonist; chemokine receptor 5 antagonist; EC 2.3.1.48 (histone acetyltransferase) inhibitor; NMDA receptor antagonist; S100 calcium-binding protein B inhibitor; trypanocidal drug; xenobiotic
pentoxifylline	[no description available]	medium	2	0	oxopurine
perphenazine	[no description available]	medium	3	0	N-(2-hydroxyethyl)piperazine; N-alkylpiperazine; organochlorine compound; phenothiazines	antiemetic; dopaminergic antagonist; phenothiazine antipsychotic drug
phenyl biguanide	[no description available]	medium	2	0	guanidines	central nervous system drug
phenylbutazone	[no description available]	high	5	0	pyrazolidines	antirheumatic drug; EC 1.1.1.184 [carbonyl reductase (NADPH)] inhibitor; metabolite; non-narcotic analgesic; non-steroidal anti-inflammatory drug; peripheral nervous system drug
phloretin	[no description available]	high	8	0	dihydrochalcones	antineoplastic agent; plant metabolite
picotamide	[no description available]	medium	2	0	benzamides
pinacidil	[no description available]	medium	9	0	pyridines
pindolol	[no description available]	medium	4	0	indoles; secondary amine	antiglaucoma drug; antihypertensive agent; beta-adrenergic antagonist; serotonergic antagonist; vasodilator agent
piperidine-4-sulfonic acid	[no description available]	medium	1	0
piracetam	[no description available]	medium	5	0	organonitrogen compound; organooxygen compound
pirenperone	[no description available]	medium	2	0	aromatic ketone
praziquantel	[no description available]	medium	5	0	isoquinolines
primidone	[no description available]	medium	4	0	pyrimidone	anticonvulsant; environmental contaminant; xenobiotic
proglumide	[no description available]	medium	1	0	benzamides; dicarboxylic acid monoamide; glutamine derivative; racemate	anti-ulcer drug; cholecystokinin antagonist; cholinergic antagonist; delta-opioid receptor agonist; drug metabolite; gastrointestinal drug; opioid analgesic; xenobiotic metabolite
propentofylline	[no description available]	medium	2	0	oxopurine
propofol	[no description available]	medium	5	0	phenols	anticonvulsant; antiemetic; intravenous anaesthetic; radical scavenger; sedative
pf 5901	[no description available]	medium	2	0	quinolines
riluzole	[no description available]	medium	6	0	benzothiazoles
ritanserin	[no description available]	medium	3	0	organofluorine compound; piperidines; thiazolopyrimidine	antidepressant; antipsychotic agent; anxiolytic drug; dopaminergic antagonist; EC 3.4.21.26 (prolyl oligopeptidase) inhibitor; serotonergic antagonist
4-(3-butoxy-4-methoxybenzyl)-2-imidazolidinone	[no description available]	medium	1	0	methoxybenzenes
salmeterol xinafoate	[no description available]	medium	1	0	ether; phenols; primary alcohol; secondary alcohol; secondary amino compound
sb 202190	[no description available]	medium	5	0	imidazoles; organofluorine compound; phenols; pyridines	apoptosis inducer; EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor
sobuzoxane	[no description available]	medium	1	0	organic molecular entity
spiroxatrine	[no description available]	medium	2	0	imidazolidines
sq 22536	[no description available]	medium	1	0	nucleoside analogue; oxolanes	EC 4.6.1.1 (adenylate cyclase) inhibitor
sulfaphenazole	[no description available]	medium	1	0	primary amino compound; pyrazoles; substituted aniline; sulfonamide antibiotic; sulfonamide	antibacterial drug; EC 1.14.13.181 (13-deoxydaunorubicin hydroxylase) inhibitor; EC 1.14.13.67 (quinine 3-monooxygenase) inhibitor; P450 inhibitor
sulpiride	[no description available]	medium	2	0	benzamides; N-alkylpyrrolidine; sulfonamide	antidepressant; antiemetic; antipsychotic agent; dopaminergic antagonist
t0156	[no description available]	medium	2	0	naphthyridine derivative
1,4-bis(2-(3,5-dichloropyridyloxy))benzene	[no description available]	medium	1	0
tetraisopropylpyrophosphamide	[no description available]	medium	2	0	phosphoramide
theobromine	[no description available]	medium	2	0	dimethylxanthine	adenosine receptor antagonist; bronchodilator agent; food component; human blood serum metabolite; mouse metabolite; plant metabolite; vasodilator agent
8-(n,n-diethylamino)octyl-3,4,5-trimethoxybenzoate	[no description available]	medium	1	0	trihydroxybenzoic acid
tolazamide	[no description available]	medium	3	0	N-sulfonylurea	hypoglycemic agent; potassium channel blocker
tolbutamide	[no description available]	medium	12	0	N-sulfonylurea	human metabolite; hypoglycemic agent; insulin secretagogue; potassium channel blocker
(1,2,5,6-tetrahydropyridin-4-yl)methylphosphinic acid	[no description available]	medium	1	0
ici 136,753	[no description available]	medium	2	0	pyrazolopyridine
triamterene	[no description available]	medium	4	0	pteridines	diuretic; sodium channel blocker
trimethoprim	[no description available]	medium	6	0	aminopyrimidine; methoxybenzenes	antibacterial drug; diuretic; drug allergen; EC 1.5.1.3 (dihydrofolate reductase) inhibitor; environmental contaminant; xenobiotic
tropicamide	[no description available]	medium	1	0	acetamides
tyrphostin a9	[no description available]	medium	3	0	alkylbenzene	geroprotector
vigabatrin	[no description available]	medium	2	0	gamma-amino acid	anticonvulsant; EC 2.6.1.19 (4-aminobutyrate--2-oxoglutarate transaminase) inhibitor
8-(4-((2-aminoethyl)aminocarbonylmethyloxy)phenyl)-1,3-dipropylxanthine	[no description available]	medium	2	0
3-(5'-hydroxymethyl-2'-furyl)-1-benzylindazole	[no description available]	medium	3	0	aromatic primary alcohol; furans; indazoles	antineoplastic agent; apoptosis inducer; platelet aggregation inhibitor; soluble guanylate cyclase activator; vasodilator agent
zardaverine	[no description available]	medium	1	0	organofluorine compound; pyridazinone	anti-asthmatic drug; bronchodilator agent; EC 3.1.4.* (phosphoric diester hydrolase) inhibitor; peripheral nervous system drug
cortisone acetate	[no description available]	medium	1	0	corticosteroid hormone
corticosterone	[no description available]	medium	9	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
reserpine	[no description available]	medium	9	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
procaine hydrochloride	[no description available]	medium	1	0	organic molecular entity
isoproterenol hydrochloride	[no description available]	medium	4	0	catechols
histamine dihydrochloride	[no description available]	medium	1	0
carbachol	[no description available]	medium	3	0	ammonium salt; carbamate ester	cardiotonic drug; miotic; muscarinic agonist; nicotinic acetylcholine receptor agonist; non-narcotic analgesic
spironolactone	[no description available]	medium	7	0	3-oxo-Delta(4) steroid; oxaspiro compound; steroid lactone; thioester	aldosterone antagonist; antihypertensive agent; diuretic; environmental contaminant; xenobiotic
estrone	[no description available]	high	5	0	17-oxo steroid; 3-hydroxy steroid; phenolic steroid; phenols	antineoplastic agent; bone density conservation agent; estrogen; human metabolite; mouse metabolite
androsterone	[no description available]	medium	2	0	17-oxo steroid; 3alpha-hydroxy steroid; androstanoid; C19-steroid	androgen; anticonvulsant; human blood serum metabolite; human metabolite; human urinary metabolite; mouse metabolite; pheromone
promazine hydrochloride	[no description available]	medium	4	0	hydrochloride
pilocarpine hydrochloride	[no description available]	medium	2	0	hydrochloride
dimethylphenylpiperazinium iodide	[no description available]	medium	2	0	N-arylpiperazine; organic iodide salt; piperazinium salt; quaternary ammonium salt	nicotinic acetylcholine receptor agonist
pentylenetetrazole	[no description available]	medium	2	0	organic heterobicyclic compound; organonitrogen heterocyclic compound
racepinephrine hydrochloride	[no description available]	medium	2	0
(4-(m-chlorophenylcarbamoyloxy)-2-butynyl)trimethylammonium chloride	[no description available]	medium	2	0
hexamethonium bromide	[no description available]	medium	1	0
cystamine dihydrochloride	[no description available]	medium	1	0
cantharidin	[no description available]	medium	4	0	cyclic dicarboxylic anhydride; monoterpenoid	EC 3.1.3.16 (phosphoprotein phosphatase) inhibitor; herbicide
tetraethylammonium chloride	[no description available]	medium	2	0	organic chloride salt; quaternary ammonium salt	potassium channel blocker
aspartic acid	[no description available]	medium	22	0	aspartate family amino acid; aspartic acid; L-alpha-amino acid; proteinogenic amino acid	Escherichia coli metabolite; mouse metabolite; neurotransmitter
glutamine	[no description available]	high	24	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
physostigmine	[no description available]	medium	5	0	carbamate ester; indole alkaloid	antidote to curare poisoning; EC 3.1.1.8 (cholinesterase) inhibitor; miotic
apomorphine	[no description available]	medium	12	0	aporphine alkaloid	alpha-adrenergic drug; antidyskinesia agent; antiparkinson drug; dopamine agonist; emetic; serotonergic drug
promethazine hydrochloride	[no description available]	medium	4	0	hydrochloride	anti-allergic agent; anticoronaviral agent; antiemetic; antipruritic drug; geroprotector; H1-receptor antagonist; local anaesthetic; sedative
bromodeoxyuridine	[no description available]	high	4	0	pyrimidine 2'-deoxyribonucleoside	antimetabolite; antineoplastic agent
levodopa	[no description available]	medium	23	0	amino acid zwitterion; dopa; L-tyrosine derivative; non-proteinogenic L-alpha-amino acid	allelochemical; antidyskinesia agent; antiparkinson drug; dopaminergic agent; hapten; human metabolite; mouse metabolite; neurotoxin; plant growth retardant; plant metabolite; prodrug
methoxamine hydrochloride	[no description available]	medium	4	0	dimethoxybenzene
papaverine hydrochloride	[no description available]	medium	3	0
bretylium tosylate	[no description available]	medium	2	0	organosulfonate salt; quaternary ammonium salt	adrenergic antagonist; anti-arrhythmia drug; antihypertensive agent
berlition	[no description available]	medium	1	0	dithiolanes; heterocyclic fatty acid; lipoic acid; thia fatty acid	cofactor; nutraceutical; prosthetic group
methacholine chloride	[no description available]	medium	1	0	quaternary ammonium salt
yohimbine hydrochloride	[no description available]	medium	3	0
gallamine triethiodide	[no description available]	medium	3	0
cycloheximide	[no description available]	medium	28	0	antibiotic fungicide; cyclic ketone; dicarboximide; piperidine antibiotic; piperidones; secondary alcohol	anticoronaviral agent; bacterial metabolite; ferroptosis inhibitor; neuroprotective agent; protein synthesis inhibitor
egtazic acid	[no description available]	medium	28	0	diether; tertiary amino compound; tetracarboxylic acid	chelator
cycloserine	[no description available]	medium	1	0	4-amino-1,2-oxazolidin-3-one; organonitrogen heterocyclic antibiotic; organooxygen heterocyclic antibiotic; zwitterion	antiinfective agent; antimetabolite; antitubercular agent; metabolite; NMDA receptor agonist
17-alpha-hydroxyprogesterone	[no description available]	medium	2	0	17alpha-hydroxy-C21-steroid; 17alpha-hydroxy steroid; tertiary alpha-hydroxy ketone	human metabolite; metabolite; mouse metabolite; progestin
quinacrine monohydrochloride	[no description available]	medium	2	0
chlorpromazine hydrochloride	[no description available]	medium	2	0	hydrochloride; phenothiazines	anticoronaviral agent; phenothiazine antipsychotic drug
cytarabine hydrochloride	[no description available]	medium	1	0
tryptophan	[no description available]	medium	6	0	erythrose 4-phosphate/phosphoenolpyruvate family amino acid; L-alpha-amino acid zwitterion; L-alpha-amino acid; proteinogenic amino acid; tryptophan zwitterion; tryptophan	antidepressant; Escherichia coli metabolite; human metabolite; micronutrient; mouse metabolite; nutraceutical; plant metabolite; Saccharomyces cerevisiae metabolite
lidocaine hydrochloride	[no description available]	medium	2	0	hydrochloride	anti-arrhythmia drug; local anaesthetic
arginine	[no description available]	medium	10	0	arginine; glutamine family amino acid; L-alpha-amino acid; proteinogenic amino acid	biomarker; Escherichia coli metabolite; micronutrient; mouse metabolite; nutraceutical
synephrine	[no description available]	medium	1	0	ethanolamines; phenethylamine alkaloid; phenols	alpha-adrenergic agonist; plant metabolite
pyridostigmine bromide	[no description available]	medium	3	0	pyridinium salt
imipramine hydrochloride	[no description available]	medium	4	0	hydrochloride	antidepressant
neostigmine bromide	[no description available]	medium	1	0	bromide salt
edrophonium chloride	[no description available]	medium	3	0	chloride salt; quaternary ammonium salt	antidote; diagnostic agent; EC 3.1.1.8 (cholinesterase) inhibitor
suramin sodium	[no description available]	medium	2	0	organic sodium salt	angiogenesis inhibitor; antinematodal drug; antineoplastic agent; apoptosis inhibitor; EC 2.7.11.13 (protein kinase C) inhibitor; GABA antagonist; GABA-gated chloride channel antagonist; purinergic receptor P2 antagonist; ryanodine receptor agonist; trypanocidal drug
pyrazolanthrone	[no description available]	medium	2	0	anthrapyrazole; aromatic ketone; cyclic ketone	antineoplastic agent; c-Jun N-terminal kinase inhibitor; geroprotector
methapyrilene hydrochloride	[no description available]	medium	2	0	hydrochloride	anti-allergic agent; carcinogenic agent; H1-receptor antagonist; sedative
tetrracaine hydrochloride	[no description available]	medium	3	0	benzoate ester
chelidamic acid	[no description available]	medium	1	0
2-chloroadenosine	[no description available]	medium	2	0	purine nucleoside
diphenhydramine hydrochloride	[no description available]	medium	4	0	hydrochloride; organoammonium salt	anti-allergic agent; antiemetic; antiparkinson drug; antipruritic drug; H1-receptor antagonist; local anaesthetic; muscarinic antagonist; sedative
cysteamine hydrochloride	[no description available]	medium	1	0
propantheline bromide	[no description available]	medium	2	0	xanthenes
hydralazine hydrochloride	[no description available]	medium	1	0	hydrochloride	antihypertensive agent; vasodilator agent
ethamivan	[no description available]	medium	1	0	methoxybenzenes; phenols
pargyline hydrochloride	[no description available]	medium	2	0
aminophylline	[no description available]	medium	3	0	mixture	bronchodilator agent; cardiotonic drug
azacitidine	[no description available]	high	5	0	N-glycosyl-1,3,5-triazine; nucleoside analogue	antineoplastic agent
orphenadrine hydrochloride	[no description available]	medium	2	0	hydrochloride	antiparkinson drug; H1-receptor antagonist; muscarinic antagonist; muscle relaxant; NMDA receptor antagonist; parasympatholytic
betamethasone	[no description available]	medium	5	0	11beta-hydroxy steroid; 17alpha-hydroxy steroid; 20-oxo steroid; 21-hydroxy steroid; 3-oxo-Delta(1),Delta(4)-steroid; fluorinated steroid; glucocorticoid; primary alpha-hydroxy ketone; tertiary alpha-hydroxy ketone	anti-asthmatic agent; anti-inflammatory drug; immunosuppressive agent
benzenaminium, 4,4'-(3-oxo-1,5-pentanediyl)bis(n,n-dimethyl-n-2-propenyl-), dibromide	[no description available]	medium	2	0
cyproterone acetate	[no description available]	medium	4	0	20-oxo steroid; 3-oxo-Delta(4) steroid; acetate ester; chlorinated steroid; steroid ester	androgen antagonist; geroprotector; progestin
bicuculline	[no description available]	medium	3	0	benzylisoquinoline alkaloid; isoquinoline alkaloid; isoquinolines	agrochemical; central nervous system stimulant; GABA-gated chloride channel antagonist; GABAA receptor antagonist; neurotoxin
kainic acid	[no description available]	medium	3	0	dicarboxylic acid; L-proline derivative; non-proteinogenic L-alpha-amino acid; pyrrolidinecarboxylic acid	antinematodal drug; excitatory amino acid agonist
podophyllotoxin	[no description available]	high	4	0	furonaphthodioxole; lignan; organic heterotetracyclic compound	antimitotic; antineoplastic agent; keratolytic drug; microtubule-destabilising agent; plant metabolite; tubulin modulator
tetrahydrozoline hydrochloride	[no description available]	medium	2	0	hydrochloride	nasal decongestant; sympathomimetic agent; vasoconstrictor agent
dequalinium chloride	[no description available]	medium	2	0	organic chloride salt	antifungal agent; antineoplastic agent; antiseptic drug; mitochondrial NADH:ubiquinone reductase inhibitor
decamethonium dibromide	[no description available]	medium	2	0
amitriptyline hydrochloride	[no description available]	medium	4	0	organic tricyclic compound
naphazoline hydrochloride	[no description available]	medium	2	0	organic molecular entity
doxylamine succinate	[no description available]	medium	2	0	organic molecular entity
carbamylhydrazine monohydrochloride	[no description available]	medium	1	0	organic molecular entity
formestane	[no description available]	medium	2	0	17-oxo steroid; 3-oxo-Delta(4) steroid; enol; hydroxy steroid	antineoplastic agent; EC 1.14.14.14 (aromatase) inhibitor
debrisoquin sulfate	[no description available]	medium	1	0	organic sulfate salt
betaine hydrochloride	[no description available]	medium	3	0
bethanechol chloride	[no description available]	medium	1	0	carbamate ester; chloride salt; quaternary ammonium salt	muscarinic agonist
acetylcysteine	[no description available]	medium	45	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
acetylcysteine	[no description available]	medium	45	1	acetylcysteine; L-cysteine derivative; N-acetyl-L-amino acid	antidote to paracetamol poisoning; antiinfective agent; antioxidant; antiviral drug; ferroptosis inhibitor; geroprotector; human metabolite; mucolytic; radical scavenger; vulnerary
Mecamylamine hydrochloride	[no description available]	medium	2	0	monoterpenoid
cyproheptadine hydrochloride (anhydrous)	[no description available]	medium	4	0	hydrochloride
5 alpha-androstane-3 alpha,17 beta-diol	[no description available]	medium	1	0	androstane-3alpha,17beta-diol	Daphnia magna metabolite; human metabolite
pimozide	[no description available]	medium	4	0	benzimidazoles; heteroarylpiperidine; organofluorine compound	antidyskinesia agent; dopaminergic antagonist; first generation antipsychotic; H1-receptor antagonist; serotonergic antagonist
azetidyl-2-carboxylic acid	[no description available]	medium	1	0	azetidine-2-carboxylic acid
muscarine	[no description available]	medium	2	0
antazoline hydrochloride	[no description available]	medium	2	0
doxifluridine	[no description available]	medium	1	0	organofluorine compound; pyrimidine 5'-deoxyribonucleoside	antimetabolite; antineoplastic agent; prodrug
meclofenoxate hydrochloride	[no description available]	medium	1	0
clonidine hydrochloride	[no description available]	medium	3	0	dichlorobenzene
beclomethasone	[no description available]	medium	2	0	11beta-hydroxy steroid; 17alpha-hydroxy steroid; 20-oxo steroid; 21-hydroxy steroid; 3-oxo-Delta(1),Delta(4)-steroid; chlorinated steroid; corticosteroid; glucocorticoid; primary alpha-hydroxy ketone; tertiary alpha-hydroxy ketone	anti-asthmatic drug; anti-inflammatory drug
buthionine sulfoximine	[no description available]	medium	4	0	diastereoisomeric mixture; homocysteines; non-proteinogenic alpha-amino acid; sulfoximide	EC 6.3.2.2 (glutamate--cysteine ligase) inhibitor; ferroptosis inducer
mexiletine hydrochloride	[no description available]	medium	4	0	hydrochloride	anti-arrhythmia drug
cyclophosphamide	[no description available]	medium	1	0	hydrate	alkylating agent; antineoplastic agent; carcinogenic agent; immunosuppressive agent
suxamethonium chloride	[no description available]	medium	1	0	chloride salt	muscle relaxant
cyclobenzaprine hydrochloride	[no description available]	medium	2	0	hydrochloride	antidepressant; muscle relaxant
n-methylaspartate	[no description available]	medium	12	0	amino dicarboxylic acid; D-alpha-amino acid; D-aspartic acid derivative; secondary amino compound	neurotransmitter agent
3-deazaadenosine	[no description available]	medium	2	0
metoclopramide hydrochloride	[no description available]	medium	4	0
isoetharine mesylate	[no description available]	medium	2	0
zalcitabine	[no description available]	medium	5	0	pyrimidine 2',3'-dideoxyribonucleoside	antimetabolite; antiviral drug; HIV-1 reverse transcriptase inhibitor
propionylpromazine hydrochloride	[no description available]	medium	2	0
nsc-145,668	[no description available]	medium	1	0	hydrochloride	antimetabolite; antineoplastic agent
clodronic acid	[no description available]	medium	1	0	1,1-bis(phosphonic acid); one-carbon compound; organochlorine compound	antineoplastic agent; bone density conservation agent
benserazide hydrochloride	[no description available]	medium	2	0	hydrochloride	antiparkinson drug; dopaminergic agent; EC 4.1.1.28 (aromatic-L-amino-acid decarboxylase) inhibitor
pancuronium bromide	[no description available]	medium	3	0	bromide salt	cholinergic antagonist; muscle relaxant; nicotinic antagonist
tetradecanoylphorbol acetate	[no description available]	high	18	0	acetate ester; diester; phorbol ester; tertiary alpha-hydroxy ketone; tetradecanoate ester	antineoplastic agent; apoptosis inducer; carcinogenic agent; mitogen; plant metabolite; protein kinase C agonist; reactive oxygen species generator
danazol	[no description available]	medium	5	0	17beta-hydroxy steroid; terminal acetylenic compound	anti-estrogen; estrogen antagonist; geroprotector
metergoline	[no description available]	medium	2	0	carbamate ester; ergoline alkaloid	dopamine agonist; geroprotector; serotonergic antagonist
lisuride	[no description available]	medium	1	0	monocarboxylic acid amide	antidyskinesia agent; antiparkinson drug; dopamine agonist; serotonergic agonist
disopyramide phosphate	[no description available]	medium	4	0	organoammonium phosphate
bromocriptine	[no description available]	medium	1	0	indole alkaloid	antidyskinesia agent; antiparkinson drug; dopamine agonist; hormone antagonist
ergocristine	[no description available]	medium	2	0	ergot alkaloid
triamcinolone	[no description available]	medium	2	0	11beta-hydroxy steroid; 16alpha-hydroxy steroid; 17alpha-hydroxy steroid; 20-oxo steroid; 21-hydroxy steroid; 3-oxo-Delta(4) steroid; C21-steroid hormone; fluorinated steroid; glucocorticoid; primary alpha-hydroxy ketone; tertiary alpha-hydroxy ketone	anti-allergic agent; anti-inflammatory drug
zidovudine	[no description available]	medium	7	0	azide; pyrimidine 2',3'-dideoxyribonucleoside	antimetabolite; antiviral drug; HIV-1 reverse transcriptase inhibitor
buspirone hydrochloride	[no description available]	medium	2	0	hydrochloride	anxiolytic drug; EC 3.4.21.26 (prolyl oligopeptidase) inhibitor; sedative; serotonergic agonist
etoposide	[no description available]	high	14	0	beta-D-glucoside; furonaphthodioxole; organic heterotetracyclic compound	antineoplastic agent; DNA synthesis inhibitor
propafenone hydrochloride	[no description available]	medium	4	0	hydrochloride	anti-arrhythmia drug
etazolate hydrochloride	[no description available]	medium	2	0
butaclamol	[no description available]	medium	1	0	amino alcohol; organic heteropentacyclic compound; tertiary alcohol; tertiary amino compound	dopaminergic antagonist
ribavirin	[no description available]	medium	5	0	1-ribosyltriazole; aromatic amide; monocarboxylic acid amide; primary carboxamide	anticoronaviral agent; antiinfective agent; antimetabolite; antiviral agent; EC 2.7.7.49 (RNA-directed DNA polymerase) inhibitor
carbidopa	[no description available]	medium	4	0	catechols; hydrate; hydrazines; monocarboxylic acid	antidyskinesia agent; antiparkinson drug; dopaminergic agent; EC 4.1.1.28 (aromatic-L-amino-acid decarboxylase) inhibitor
cephradine	[no description available]	medium	4	0	beta-lactam antibiotic allergen; cephalosporin	antibacterial drug
methyldopa	[no description available]	medium	3	0	L-tyrosine derivative; non-proteinogenic L-alpha-amino acid	alpha-adrenergic agonist; antihypertensive agent; hapten; peripheral nervous system drug; sympatholytic agent
lonidamine	[no description available]	medium	5	0	dichlorobenzene; indazoles; monocarboxylic acid	antineoplastic agent; antispermatogenic agent; EC 2.7.1.1 (hexokinase) inhibitor; geroprotector
dexibuprofen	[no description available]	medium	1	0	ibuprofen	non-narcotic analgesic; non-steroidal anti-inflammatory drug
quisqualic acid	[no description available]	medium	2	0	non-proteinogenic alpha-amino acid
pirfenidone	[no description available]	medium	1	0	pyridone	antipyretic; non-narcotic analgesic; non-steroidal anti-inflammatory drug
flecainide acetate	[no description available]	medium	4	0	acetate salt	anti-arrhythmia drug
nicardipine hydrochloride	[no description available]	medium	4	0	dihydropyridine	geroprotector
idarubicin	[no description available]	medium	2	0	anthracycline antibiotic; deoxy hexoside; monosaccharide derivative
captopril	[no description available]	medium	5	0	alkanethiol; L-proline derivative; N-acylpyrrolidine; pyrrolidinemonocarboxylic acid	antihypertensive agent; EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor
terazosin hydrochloride anhydrous	[no description available]	medium	2	0
pergolide mesylate	[no description available]	medium	3	0	methanesulfonate salt	antiparkinson drug; dopamine agonist; geroprotector
ranitidine hydrochloride	[no description available]	medium	1	0
colforsin	[no description available]	medium	9	0	acetate ester; cyclic ketone; labdane diterpenoid; organic heterotricyclic compound; tertiary alpha-hydroxy ketone; triol	adenylate cyclase agonist; anti-HIV agent; antihypertensive agent; plant metabolite; platelet aggregation inhibitor; protein kinase A agonist
cefaclor anhydrous	[no description available]	medium	2	0	cephalosporin	antibacterial drug; drug allergen
alo 2145	[no description available]	medium	1	0	hydrochloride	alpha-adrenergic agonist; antiglaucoma drug
enoximone	[no description available]	medium	2	0	aromatic ketone
atomoxetine	[no description available]	medium	5	0	aromatic ether; secondary amino compound; toluenes	adrenergic uptake inhibitor; antidepressant; environmental contaminant; xenobiotic
raloxifene hydrochloride	[no description available]	medium	2	0	hydrochloride	bone density conservation agent; estrogen antagonist; estrogen receptor modulator
mifepristone	[no description available]	medium	6	0	3-oxo-Delta(4) steroid; acetylenic compound; tertiary amino compound	abortifacient; contraceptive drug; hormone antagonist; synthetic oral contraceptive
quinpirole hydrochloride	[no description available]	medium	1	0
imazodan	[no description available]	medium	1	0
mibefradil dihydrochloride	[no description available]	medium	2	0
aptiganel hydrochloride	[no description available]	medium	2	0
phenelzine sulfate	[no description available]	medium	2	0	organic molecular entity
fluoxetine hydrochloride	[no description available]	medium	2	0	hydrochloride; N-methyl-3-phenyl-3-[4-(trifluoromethyl)phenoxy]propan-1-amine
propranolol hydrochloride	[no description available]	medium	2	0	hydrochloride
bupropion hydrochloride	[no description available]	medium	5	0	aromatic ketone
diltiazem hydrochloride	[no description available]	medium	2	0	hydrochloride	antihypertensive agent; calcium channel blocker; vasodilator agent
trazodone hydrochloride	[no description available]	medium	15	0	hydrochloride	adrenergic antagonist; antidepressant; H1-receptor antagonist; sedative; serotonin uptake inhibitor
verapamil hydrochloride	[no description available]	medium	4	0
doxazosin mesylate	[no description available]	medium	3	0	methanesulfonate salt	geroprotector
terfenadine	[no description available]	medium	2	0	diarylmethane
amantadine hydrochloride	[no description available]	medium	4	0	hydrochloride	antiviral agent; dopamine agonist; NMDA receptor antagonist
chloroquine diphosphate	[no description available]	medium	2	0
dobutamine hydrochloride	[no description available]	medium	4	0	hydrochloride	beta-adrenergic agonist; cardiotonic drug; sympathomimetic agent
desipramine hydrochloride	[no description available]	medium	2	0	hydrochloride	drug allergen
dopamine hydrochloride	[no description available]	medium	2	0	catecholamine
proadifen hydrochloride	[no description available]	medium	2	0
4-nitrobenzylthioinosine	[no description available]	medium	3	0	purine nucleoside
metrifudil	[no description available]	medium	1	0
rutecarpine	[no description available]	medium	3	0	beta-carbolines
trihexyphenidyl hydrochloride	[no description available]	medium	2	0	aralkylamine
thioridazine hydrochloride	[no description available]	medium	2	0	hydrochloride	first generation antipsychotic; geroprotector
procainamide hydrochloride	[no description available]	medium	1	0	hydrochloride	anti-arrhythmia drug
siquil	[no description available]	medium	2	0	hydrochloride	anticoronaviral agent
sotalol hydrochloride	[no description available]	medium	1	0	hydrochloride	anti-arrhythmia drug; beta-adrenergic antagonist
oxymetazoline hydrochloride	[no description available]	medium	2	0	hydrochloride	alpha-adrenergic agonist; nasal decongestant; sympathomimetic agent; vasoconstrictor agent
alprenolol hydrochloride	[no description available]	medium	2	0	hydrochloride
2-methoxyestradiol	[no description available]	high	4	0	17beta-hydroxy steroid; 3-hydroxy steroid	angiogenesis modulating agent; antimitotic; antineoplastic agent; human metabolite; metabolite; mouse metabolite
fluphenazine hydrochloride	[no description available]	medium	2	0	phenothiazines	anticoronaviral agent
tryptamine monohydrochloride	[no description available]	medium	2	0
clomipramine hydrochloride	[no description available]	medium	2	0	hydrochloride	anticoronaviral agent; antidepressant; serotonergic antagonist; serotonergic drug
amiloride hydrochloride	[no description available]	medium	4	0	hydrate	diuretic; sodium channel blocker
prazosin hydrochloride	[no description available]	medium	2	0	hydrochloride
mianserin hydrochloride	[no description available]	medium	2	0	hydrochloride	geroprotector
lomefloxacin hydrochloride	[no description available]	medium	4	0	hydrochloride	antimicrobial agent; antitubercular agent; photosensitizing agent
fenspiride hydrochloride	[no description available]	medium	2	0
nilverm	[no description available]	medium	2	0	organic molecular entity
sanguinarine chloride	[no description available]	medium	3	0
ropinirole hydrochloride	[no description available]	medium	2	0	indoles
plasmenylserine	[no description available]	medium	1	0	O-phosphoserine	EC 1.4.7.1 [glutamate synthase (ferredoxin)] inhibitor; EC 2.5.1.49 (O-acetylhomoserine aminocarboxypropyltransferase) inhibitor; EC 4.3.1.10 (serine-sulfate ammonia-lyase) inhibitor; Escherichia coli metabolite; human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite
5-aminovaleric acid hydrochloride	[no description available]	medium	1	0
n-acetyltryptamine	[no description available]	medium	1	0	acetamides; indoles
D-serine	[no description available]	medium	1	0	D-alpha-amino acid; serine zwitterion; serine	Escherichia coli metabolite; human metabolite; NMDA receptor agonist
dihydroergotamine mesylate	[no description available]	medium	2	0	methanesulfonate salt	non-narcotic analgesic; serotonergic agonist; vasoconstrictor agent
ranolazine hydrochloride	[no description available]	medium	2	0
loxapine succinate	[no description available]	medium	3	0	succinate salt	geroprotector
guanfacine hydrochloride	[no description available]	medium	2	0	acetamides	geroprotector
pirenzepine dihydrochloride	[no description available]	medium	1	0	hydrochloride
labetalol hydrochloride	[no description available]	medium	2	0	salicylamides
acecainide hydrochloride	[no description available]	medium	1	0
loperamide hydrochloride	[no description available]	medium	4	0	hydrochloride	anticoronaviral agent; antidiarrhoeal drug; mu-opioid receptor agonist
maprotiline hydrochloride	[no description available]	medium	2	0	anthracenes
protoporphyrin ix, disodium salt	[no description available]	medium	1	0
siguazodan	[no description available]	medium	1	0	pyridazinone
3-octadecanamido-2-ethoxypropylphosphocholine	[no description available]	medium	1	0
tosyllysine chloromethyl ketone	[no description available]	medium	2	0
5-(n-methyl-n-isobutyl)amiloride	[no description available]	medium	2	0
1-(5-isoquinolinesulfonyl)-2-methylpiperazine dihydrochloride	[no description available]	medium	2	0	hydrochloride	EC 2.7.11.13 (protein kinase C) inhibitor
amperozide hydrochloride	[no description available]	medium	2	0	hydrochloride	anxiolytic drug; dopamine uptake inhibitor; geroprotector; second generation antipsychotic; serotonergic antagonist
pyrrolidine dithiocarbamic acid	[no description available]	medium	2	0
agroclavine	[no description available]	medium	1	0	ergot alkaloid
s-methylisothiourea sulfate	[no description available]	medium	1	0
p-Aminobenzamidine dihydrochloride	[no description available]	medium	2	0	organic molecular entity
benzamidine hydrochloride	[no description available]	medium	1	0
ketorolac tromethamine	[no description available]	medium	4	0	organoammonium salt	analgesic; cyclooxygenase 1 inhibitor; cyclooxygenase 2 inhibitor
methionine sulfoximine	[no description available]	medium	1	0	L-alpha-amino acid zwitterion; L-methionine derivative; methionine sulfoximine; non-proteinogenic L-alpha-amino acid	EC 6.3.1.2 (glutamate--ammonia ligase) inhibitor; geroprotector
tretazicar	[no description available]	medium	1	0
carbetapentane citrate	[no description available]	medium	2	0	carbonyl compound
phentolamine mesylate	[no description available]	medium	4	0
mephentermine	[no description available]	medium	2	0	2-aminooctadecane-1,3-diol	EC 2.7.11.13 (protein kinase C) inhibitor; human metabolite; mouse metabolite
oxybutynin hydrochloride	[no description available]	medium	4	0	hydrochloride
nimustine	[no description available]	medium	1	0	hydrochloride	antineoplastic agent
cordium	[no description available]	medium	3	0	hydrate; hydrochloride
L-2-aminoadipic acid	[no description available]	medium	1	0	2-aminoadipic acid	Escherichia coli metabolite; human metabolite
prilocaine hydrochloride	[no description available]	medium	2	0	hydrochloride	local anaesthetic
mor-14	[no description available]	medium	1	0	hydroxypiperidine; piperidine alkaloid; tertiary amino compound	anti-HIV agent; cardioprotective agent; EC 3.2.1.20 (alpha-glucosidase) inhibitor; plant metabolite
brexanolone	[no description available]	medium	2	0	3-hydroxy-5alpha-pregnan-20-one	antidepressant; GABA modulator; human metabolite; intravenous anaesthetic; sedative
phenylisopropyladenosine	[no description available]	medium	1	0	aromatic amine; benzenes; hydrocarbyladenosine; purine nucleoside; secondary amino compound	adenosine A1 receptor agonist; neuroprotective agent
hexamethonium chloride	[no description available]	medium	1	0
6-(4-nitrobenzylthio)guanosine	[no description available]	medium	2	0
3-aminopropylphosphonic acid	[no description available]	medium	1	0	phosphonic acids; primary amino compound; zwitterion	GABAB receptor agonist
5'-n-methylcarboxamideadenosine	[no description available]	medium	1	0
3,7-dimethyl-1-propargylxanthine	[no description available]	medium	1	0
zpck	[no description available]	medium	2	0
n(6)-phenyladenosine	[no description available]	medium	1	0	purine nucleoside
tetrahydrodeoxycorticosterone	[no description available]	medium	2	0	21-hydroxy steroid
n-methyladenosine	[no description available]	medium	1	0	methyladenosine
mizoribine	[no description available]	medium	2	0	imidazoles	anticoronaviral agent
1-amino-1,3-dicarboxycyclopentane	[no description available]	medium	1	0
u 73122	[no description available]	medium	3	0	aromatic ether; aza-steroid; maleimides	EC 3.1.4.11 (phosphoinositide phospholipase C) inhibitor
alphaxalone	[no description available]	medium	1	0	corticosteroid hormone
s-nitrosoglutathione	[no description available]	medium	2	0	glutathione derivative; nitrosothio compound	bronchodilator agent; nitric oxide donor; platelet aggregation inhibitor; signalling molecule
cp-55,940	[no description available]	medium	2	0
vanoxerine	[no description available]	medium	2	0	hydrochloride	dopamine uptake inhibitor
methyl 6,7-dimethoxy-4-ethyl-beta-carboline-3-carboxylate	[no description available]	medium	2	0	beta-carbolines
u 69593	[no description available]	medium	2	0	monocarboxylic acid amide; N-alkylpyrrolidine; organic heterobicyclic compound; oxaspiro compound	anti-inflammatory agent; diuretic; kappa-opioid receptor agonist
cv 3988	[no description available]	medium	2	0
beta-carboline-3-carboxylic acid methyl ester	[no description available]	medium	2	0	beta-carbolines
methoctramine	[no description available]	medium	2	0	hydrochloride	muscarinic antagonist
hypotaurine	[no description available]	medium	1	0	aminosulfinic acid; zwitterion	human metabolite; metabolite; mouse metabolite
dihydrokainate	[no description available]	medium	1	0	dicarboxylic acid
gabazine	[no description available]	medium	1	0
cl 218872	[no description available]	medium	1	0	pyridazines; ring assembly
betaxolol hydrochloride	[no description available]	medium	2	0	hydrochloride	antihypertensive agent; beta-adrenergic antagonist
catechin	[no description available]	medium	2	0	hydrate	geroprotector
1-(2-methoxyphenyl)-4-(4-(2-phthalimido)butyl)piperazine	[no description available]	medium	2	0	hydrobromide	serotonergic antagonist
s-methylthiocitrulline	[no description available]	medium	2	0	imidothiocarbamic ester; L-arginine derivative; L-ornithine derivative; non-proteinogenic L-alpha-amino acid	EC 1.14.13.39 (nitric oxide synthase) inhibitor; neuroprotective agent
dihydrocapsaicin	[no description available]	medium	2	0	capsaicinoid
ml 9	[no description available]	medium	1	0
parthenolide	[no description available]	medium	3	0	germacranolide
3',4'-dichlorobenzamil	[no description available]	medium	2	0	guanidines; pyrazines
1-(carboxymethylthio)tetradecane	[no description available]	medium	1	0	straight-chain fatty acid
2-iodomelatonin	[no description available]	medium	1	0	acetamides
arcaine, sulfate	[no description available]	medium	1	0
gr 113808	[no description available]	medium	2	0	indolyl carboxylate ester; piperidines; sulfonamide	serotonergic antagonist
gallopamil hydrochloride	[no description available]	medium	2	0
gamma-glutamylaminomethylsulfonic acid	[no description available]	medium	1	0
buthionine sulfoximine	[no description available]	medium	2	0	2-amino-4-(S-butylsulfonimidoyl)butanoic acid	EC 6.3.2.2 (glutamate--cysteine ligase) inhibitor; ferroptosis inducer
sb 204070a	[no description available]	medium	2	0
1-(2-(4-aminophenyl)ethyl)-4-(3-trifluoromethylphenyl)piperazine	[no description available]	medium	2	0	(trifluoromethyl)benzenes; N-alkylpiperazine; N-arylpiperazine; primary arylamine; substituted aniline	geroprotector; serotonergic agonist
l 655240	[no description available]	medium	1	0	methylindole
san 58035	[no description available]	medium	2	0
nnc 711	[no description available]	medium	1	0
4-(alpha-(4-allyl-2,5-dimethyl-1-piperazinyl)-3-methoxybenzyl)-n,n-diethylbenzamide	[no description available]	medium	2	0	diarylmethane
e 64	[no description available]	medium	3	0	dicarboxylic acid monoamide; epoxy monocarboxylic acid; guanidines; L-leucine derivative; zwitterion	antimalarial; antiparasitic agent; protease inhibitor
azetidine-2,4-dicarboxylic acid	[no description available]	medium	1	0
pre 084	[no description available]	medium	2	0	morpholines
methotrexate	[no description available]	high	8	0	dicarboxylic acid; monocarboxylic acid amide; pteridines	abortifacient; antimetabolite; antineoplastic agent; antirheumatic drug; dermatologic drug; DNA synthesis inhibitor; EC 1.5.1.3 (dihydrofolate reductase) inhibitor; immunosuppressive agent
1-(2-allylphenoxy)-3-((8-bromoacetylamino-4-menthane-1-yl)amino)-1-propanol	[no description available]	medium	2	0
sr 2640	[no description available]	medium	2	0	quinolines
ici 204448	[no description available]	medium	1	0
4-amino-1-(6-chloro-2-pyridyl)piperidine hydrochloride	[no description available]	medium	1	0
n,n-di-n-hexyl-2-(4-fluorophenyl)indole-3-acetamide	[no description available]	medium	2	0	phenylindole
3,5-bis(trifluoromethyl)benzyl n-acetyltryptophan	[no description available]	medium	1	0
8-cyclopentyl-3-(3-((4-(fluorosulfonyl)benzoyl)oxy)propyl)-1-propylxanthine	[no description available]	medium	2	0
l 741626	[no description available]	medium	2	0	piperidines
nisoxetine hydrochloride	[no description available]	medium	2	0
ng-nitroarginine methyl ester	[no description available]	medium	1	0	hydrochloride	EC 1.14.13.39 (nitric oxide synthase) inhibitor
tilarginine acetate	[no description available]	medium	1	0
alpha-guanidinoglutaric acid	[no description available]	medium	1	0	L-glutamic acid derivative
3,4-dichloro-n-methyl-n-(2-(1-pyrrolidinyl)cyclohexyl)-benzeneacetamide, (trans)-(+-)-isomer	[no description available]	medium	2	0
imidazole-4-acetic acid hydrochloride	[no description available]	medium	1	0
nsc-141549	[no description available]	medium	4	0
2-chloro-2-deoxyglucose	[no description available]	medium	1	0
idazoxan hydrochloride	[no description available]	medium	2	0
isoguvacine hydrochloride	[no description available]	medium	1	0
8-methoxymethyl-3-isobutyl-1-methylxanthine	[no description available]	medium	1	0	oxopurine
Serotonin hydrochloride	[no description available]	medium	1	0	tryptamines
n-phthaloylglutamic acid	[no description available]	medium	1	0	L-glutamic acid derivative; phthalimides
1,3-dipropyl-7-methylxanthine	[no description available]	medium	1	0
ag 3-5	[no description available]	medium	1	0	C-nitro compound
n-n-propylnorapomorphine	[no description available]	medium	1	0	aporphine alkaloid
urapidil monohydrochloride	[no description available]	medium	2	0
aminopterin	[no description available]	medium	2	0	dicarboxylic acid	EC 1.5.1.3 (dihydrofolate reductase) inhibitor; mutagen
azepexole, dihydrochloride	[no description available]	medium	1	0
2,5-dimethoxy-4-iodoamphetamine hydrochloride	[no description available]	medium	1	0
abt 980	[no description available]	medium	2	0
sk&f 75670	[no description available]	medium	2	0
esatenolol	[no description available]	medium	1	0	atenolol	beta-adrenergic antagonist
nbi 27914	[no description available]	medium	2	0	dialkylarylamine; tertiary amino compound
sb 216763	[no description available]	medium	4	0	indoles; maleimides
(R)-atenolol	[no description available]	medium	1	0	atenolol
memantine hydrochloride	[no description available]	medium	2	0	hydrochloride	antidepressant; antiparkinson drug; dopaminergic agent; neuroprotective agent; NMDA receptor antagonist
pefabloc	[no description available]	medium	1	0
pongidae	[no description available]	medium	2	0
succinylproline	[no description available]	medium	1	0	N-acyl-amino acid
sb 205384	[no description available]	medium	2	0	thienopyridine
gabaculine hydrochloride	[no description available]	medium	1	0
etiron monohydrobromide	[no description available]	medium	1	0
bmy 7378	[no description available]	medium	1	0
vesamicol	[no description available]	medium	1	0
cortisone	[no description available]	medium	2	0	11-oxo steroid; 17alpha-hydroxy steroid; 20-oxo steroid; 21-hydroxy steroid; 3-oxo-Delta(4) steroid; C21-steroid; glucocorticoid; primary alpha-hydroxy ketone; tertiary alpha-hydroxy ketone	human metabolite; mouse metabolite
vincristine sulfate	[no description available]	medium	6	0	organic sulfate salt	antineoplastic agent; geroprotector
n-methylserotonin oxalate salt	[no description available]	medium	1	0
nsc 95397	[no description available]	medium	2	0	1,4-naphthoquinones
lithium chloride	[no description available]	medium	3	0	inorganic chloride; lithium salt	antimanic drug; geroprotector
canavanine	[no description available]	high	2	0	amino acid zwitterion; non-proteinogenic L-alpha-amino acid	phytogenic insecticide; plant metabolite
5-hydroxytryptophan	[no description available]	medium	1	0	5-hydroxytryptophan; amino acid zwitterion; hydroxy-L-tryptophan; non-proteinogenic L-alpha-amino acid	human metabolite; mouse metabolite; plant metabolite
tosylphenylalanyl chloromethyl ketone	[no description available]	medium	2	0	alpha-chloroketone; sulfonamide	alkylating agent; serine proteinase inhibitor
monoiodotyrosine	[no description available]	medium	1	0	amino acid zwitterion; L-tyrosine derivative; monoiodotyrosine; non-proteinogenic L-alpha-amino acid	EC 1.14.16.2 (tyrosine 3-monooxygenase) inhibitor; human metabolite; mouse metabolite
nitroarginine	[no description available]	medium	2	0	guanidines; L-arginine derivative; N-nitro compound; non-proteinogenic L-alpha-amino acid
willardiine	[no description available]	medium	1	0	amino acid zwitterion; L-alanine derivative; non-proteinogenic L-alpha-amino acid
cortodoxone	[no description available]	medium	2	0	deoxycortisol; glucocorticoid; primary alpha-hydroxy ketone; tertiary alpha-hydroxy ketone	human metabolite; mouse metabolite
amiodarone hydrochloride	[no description available]	medium	2	0	aromatic ketone
dicyclomine hydrochloride	[no description available]	medium	2	0	hydrochloride	antispasmodic drug; muscarinic antagonist
metyrosine	[no description available]	medium	1	0	L-tyrosine derivative; non-proteinogenic L-alpha-amino acid	antihypertensive agent; EC 1.14.16.2 (tyrosine 3-monooxygenase) inhibitor
nortriptyline hydrochloride	[no description available]	medium	4	0	organic tricyclic compound	geroprotector
paromomycin sulfate	[no description available]	medium	3	0
Dubinidine	[no description available]	medium	2	0	organic heterotricyclic compound; organonitrogen heterocyclic compound; oxacycle
cyclopamine	[no description available]	medium	2	0	piperidines	glioma-associated oncogene inhibitor
s-(4-azidophenacyl)glutathione	[no description available]	medium	1	0	peptide
hydroxylamine hydrochloride	[no description available]	medium	2	0	organic molecular entity
sb 228357	[no description available]	medium	2	0	indolyl carboxylic acid
3,5-dihydroxyphenylglycine	[no description available]	medium	1	0	amino acid zwitterion; non-proteinogenic L-alpha-amino acid; resorcinols
actinonin	[no description available]	medium	2	0
vinpocetine	[no description available]	medium	5	0	alkaloid	geroprotector
dihydroergocristine monomesylate	[no description available]	medium	3	0	methanesulfonate salt	alpha-adrenergic antagonist; geroprotector; vasodilator agent
resveratrol	[no description available]	medium	18	0	resveratrol	antioxidant; phytoalexin; plant metabolite; quorum sensing inhibitor; radical scavenger
oleic acid	[no description available]	medium	3	0	octadec-9-enoic acid	antioxidant; Daphnia galeata metabolite; EC 3.1.1.1 (carboxylesterase) inhibitor; Escherichia coli metabolite; mouse metabolite; plant metabolite; solvent
thapsigargin	[no description available]	medium	28	0	butyrate ester; organic heterotricyclic compound; sesquiterpene lactone	calcium channel blocker; EC 3.6.3.8 (Ca(2+)-transporting ATPase) inhibitor
brivudine	[no description available]	medium	1	0
5,11-diethyl-5,6,11,12-tetrahydrochrysene-2,8-diol	[no description available]	medium	2	0	carbotetracyclic compound; polyphenol	estrogen receptor agonist; estrogen receptor antagonist; geroprotector; neuroprotective agent
2-amino-3-(5-tert-butyl-3-(phosphonomethoxy)-4-isoxazolyl)propionic acid	[no description available]	medium	1	0
adenosine-5'-(n-ethylcarboxamide)	[no description available]	medium	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
L-cycloserine	[no description available]	medium	2	0	4-amino-1,2-oxazolidin-3-one	anti-HIV agent; anticonvulsant; EC 2.3.1.50 (serine C-palmitoyltransferase) inhibitor
1,4-dideoxy-1,4-imino-d-arabinitol	[no description available]	medium	1	0
purvalanol a	[no description available]	medium	1	0	purvalanol
melphalan	[no description available]	medium	3	0	L-phenylalanine derivative; nitrogen mustard; non-proteinogenic L-alpha-amino acid; organochlorine compound	alkylating agent; antineoplastic agent; carcinogenic agent; drug allergen; immunosuppressive agent
isoliquiritigenin	[no description available]	medium	2	0	chalcones	antineoplastic agent; biological pigment; EC 1.14.18.1 (tyrosinase) inhibitor; GABA modulator; geroprotector; metabolite; NMDA receptor antagonist
rauwolscine	[no description available]	medium	2	0	methyl 17-hydroxy-20xi-yohimban-16-carboxylate
gw9662	[no description available]	medium	2	0	benzamides
calmidazolium	[no description available]	medium	2	0	organic chloride salt	apoptosis inducer; calmodulin antagonist
tropisetron hydrochloride	[no description available]	medium	2	0
Reactive blue 2	[no description available]	medium	1	0	anthraquinone
5,6-dichloro-1-ethyl-1,3-dihydro-2h-benzimidazol-2-one	[no description available]	medium	1	0	dichlorobenzene
ipratropium bromide anhydrous	[no description available]	medium	1	0
methamilane methiodide	[no description available]	medium	1	0
pilocarpine nitrate	[no description available]	medium	1	0
r 59949	[no description available]	medium	2	0	diarylmethane
n(6)-cyclopentyladenosine	[no description available]	medium	2	0
methylatropine nitrate	[no description available]	medium	1	0
sb 366791	[no description available]	medium	2	0
ag-213	[no description available]	medium	2	0
3,3',4,5'-tetrahydroxystilbene	[no description available]	medium	3	0	catechols; polyphenol; resorcinols; stilbenol	antineoplastic agent; apoptosis inducer; geroprotector; hypoglycemic agent; plant metabolite; protein kinase inhibitor; tyrosine kinase inhibitor
bemesetron	[no description available]	medium	2	0
(S)-(-)-pindolol	[no description available]	medium	1	0	pindolol
levosulpiride	[no description available]	medium	2	0	sulpiride	antidepressant; antiemetic; antipsychotic agent; dopaminergic antagonist
caffeic acid	[no description available]	medium	4	0	caffeic acid	geroprotector; mouse metabolite
4-fluorophenyl-L-alanine	[no description available]	medium	2	0	4-fluorophenylalanine; L-phenylalanine derivative; non-proteinogenic L-alpha-amino acid
urocanic acid	[no description available]	medium	1	0	urocanic acid	human metabolite
cotinine	[no description available]	medium	4	0	N-alkylpyrrolidine; pyridines; pyrrolidin-2-ones; pyrrolidine alkaloid	antidepressant; biomarker; human xenobiotic metabolite; plant metabolite
sulindac	[no description available]	medium	5	0	monocarboxylic acid; organofluorine compound; sulfoxide	analgesic; antineoplastic agent; antipyretic; apoptosis inducer; EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor; non-narcotic analgesic; non-steroidal anti-inflammatory drug; prodrug; tocolytic agent
cysteine sulfinic acid	[no description available]	medium	1	0	organosulfinic acid; S-substituted L-cysteine	Escherichia coli metabolite; human metabolite; metabotropic glutamate receptor agonist; mouse metabolite
d-ap7	[no description available]	medium	1	0
(1R,2S)-tranylcypromine hydrochloride	[no description available]	medium	4	0	hydrochloride
tacrine hydrochloride	[no description available]	medium	2	0
4-bromotetramisole, oxalate (1:1), salt(s)-isomer	[no description available]	medium	2	0
3-hydroxybenzylhydrazine hydrochloride	[no description available]	medium	2	0
1-(3-chlorophenyl)biguanide hydrochloride	[no description available]	medium	2	0
4-chlorophenylalanine methyl ester, hydrochloride, (dl)-isomer	[no description available]	medium	1	0
capsazepine	[no description available]	medium	2	0	benzazepine; catechols; monochlorobenzenes; thioureas	capsaicin receptor antagonist
diphenyleneiodium chloride	[no description available]	medium	3	0	organic chloride salt	EC 1.6.3.1. [NAD(P)H oxidase (H2O2-forming)] inhibitor; G-protein-coupled receptor agonist
azetidine-2,4-dicarboxylic acid, (cis)-isomer	[no description available]	medium	1	0
tamoxifen citrate	[no description available]	medium	2	0	citrate salt	angiogenesis inhibitor; anticoronaviral agent
pimagedine hydrochloride	[no description available]	medium	1	0
Betaine Aldehyde Chloride	[no description available]	medium	1	0	quaternary ammonium salt
eskazine	[no description available]	medium	2	0
monastrol	[no description available]	medium	2	0	enoate ester; ethyl ester; phenols; racemate; thioureas	antileishmanial agent; antimitotic; antineoplastic agent; EC 3.5.1.5 (urease) inhibitor
u 0126	[no description available]	medium	3	0	aryl sulfide; dinitrile; enamine; substituted aniline	antineoplastic agent; antioxidant; apoptosis inducer; EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor; osteogenesis regulator; vasoconstrictor agent
4-diphenylacetoxy-n-methylpiperidine methiodide	[no description available]	medium	2	0	iodide salt; quaternary ammonium salt	cholinergic antagonist; muscarinic antagonist
1-(4-hydroxybenzyl)imidazole-2-thiol	[no description available]	medium	1	0
2-chloro-n(6)-(3-iodobenzyl)adenosine-5'-n-methyluronamide	[no description available]	medium	2	0
bp 897	[no description available]	medium	2	0	naphthalenecarboxamide
trequinsin hydrochloride	[no description available]	medium	2	0
neboglamine	[no description available]	medium	1	0
benzatropine methanesulfonate	[no description available]	medium	2	0
sb 203186	[no description available]	medium	1	0	indolyl carboxylic acid
n-(1-methyl-5-indolyl)-n'-(3-methyl-5-isothiazolyl)urea	[no description available]	medium	2	0	1,2-thiazoles; indoles; ureas	receptor modulator; serotonergic antagonist
gw 7647	[no description available]	medium	2	0	aryl sulfide; monocarboxylic acid; ureas	PPARalpha agonist
ro 41-0960	[no description available]	medium	2	0
cgp 13501	[no description available]	medium	1	0	alkylbenzene
n-(2-(4-(4-chlorophenyl)piperazin-1-yl)ethyl)-3-methoxybenzamide	[no description available]	medium	2	0
brl 15572	[no description available]	medium	2	0	monochlorobenzenes; N-alkylpiperazine; N-arylpiperazine; secondary alcohol	geroprotector; serotonergic antagonist
mrs 1523	[no description available]	medium	2	0
or486	[no description available]	medium	1	0
fg 9041	[no description available]	medium	2	0	quinoxaline derivative
iik7	[no description available]	medium	1	0
sb 415286	[no description available]	medium	2	0	C-nitro compound; maleimides; monochlorobenzenes; phenols; secondary amino compound; substituted aniline	antioxidant; apoptosis inducer; EC 2.7.11.26 (tau-protein kinase) inhibitor; neuroprotective agent
dm 235	[no description available]	medium	2	0
jhw 015	[no description available]	medium	2	0	indolecarboxamide
bw 723c86	[no description available]	medium	2	0	tryptamines
sc-19220	[no description available]	medium	1	0	aromatic ether
le 300	[no description available]	medium	2	0	indoles
ly 367265	[no description available]	medium	2	0	dihydropyridine; fluoroindole; tertiary amino compound; thiadiazoloquinoline	antidepressant; geroprotector; serotonergic antagonist; serotonin uptake inhibitor
diclofenac sodium	[no description available]	medium	1	0	organic sodium salt
cgp 7930	[no description available]	medium	2	0	alkylbenzene
1,3,5-tris(4-hydroxyphenyl)-4-propyl-1h-pyrazole	[no description available]	medium	2	0	phenols; pyrazoles	estrogen receptor agonist
sib 1757	[no description available]	medium	2	0
sphingosine	[no description available]	medium	6	0	sphing-4-enine	human metabolite; mouse metabolite
daphnetin	[no description available]	medium	2	0	hydroxycoumarin
pulmicort	[no description available]	medium	4	0	11beta-hydroxy steroid; 20-oxo steroid; 21-hydroxy steroid; 3-oxo-Delta(1),Delta(4)-steroid; cyclic acetal; glucocorticoid; primary alpha-hydroxy ketone	anti-inflammatory drug; bronchodilator agent; drug allergen
timolol maleate	[no description available]	medium	4	0	maleate salt	anti-arrhythmia drug; antiglaucoma drug; antihypertensive agent; beta-adrenergic antagonist
brompheniramine maleate	[no description available]	medium	5	0	maleate salt	anti-allergic agent
chlorpheniramine maleate	[no description available]	medium	4	0	organic molecular entity
clemastine fumarate	[no description available]	medium	4	0	fumarate salt	anti-allergic agent; antipruritic drug; H1-receptor antagonist; muscarinic antagonist
methylergonovine maleate	[no description available]	medium	4	0	ergoline alkaloid	geroprotector
astaxanthine	[no description available]	medium	4	0	carotenol; carotenone	animal metabolite; anticoagulant; antioxidant; food colouring; plant metabolite
harman	[no description available]	medium	2	0	harmala alkaloid; indole alkaloid fundamental parent; indole alkaloid	anti-HIV agent; EC 1.4.3.4 (monoamine oxidase) inhibitor; plant metabolite
morin	[no description available]	medium	4	0	7-hydroxyflavonol; pentahydroxyflavone	angiogenesis modulating agent; anti-inflammatory agent; antibacterial agent; antihypertensive agent; antineoplastic agent; antioxidant; EC 5.99.1.2 (DNA topoisomerase) inhibitor; hepatoprotective agent; metabolite; neuroprotective agent
myricetin	[no description available]	medium	7	0	7-hydroxyflavonol; hexahydroxyflavone	antineoplastic agent; antioxidant; cyclooxygenase 1 inhibitor; food component; geroprotector; hypoglycemic agent; plant metabolite
daidzein	[no description available]	medium	5	0	7-hydroxyisoflavones	antineoplastic agent; EC 2.7.7.7 (DNA-directed DNA polymerase) inhibitor; EC 3.2.1.20 (alpha-glucosidase) inhibitor; phytoestrogen; plant metabolite
caffeic acid phenethyl ester	[no description available]	medium	3	0	alkyl caffeate ester	anti-inflammatory agent; antibacterial agent; antineoplastic agent; antioxidant; antiviral agent; immunomodulator; metabolite; neuroprotective agent
rottlerin	[no description available]	medium	4	0	aromatic ketone; benzenetriol; chromenol; enone; methyl ketone	anti-allergic agent; antihypertensive agent; antineoplastic agent; apoptosis inducer; K-ATP channel agonist; metabolite
flupenthixol	[no description available]	medium	3	0	flupenthixol	dopaminergic antagonist
n-oleoyldopamine	[no description available]	medium	2	0	catechols; fatty amide; N-(fatty acyl)-dopamine; secondary carboxamide	TRPV1 agonist
pheniramine maleate	[no description available]	medium	2	0	organic molecular entity
tranilast	[no description available]	medium	4	0	amidobenzoic acid; cinnamamides; dimethoxybenzene; secondary carboxamide	anti-allergic agent; anti-asthmatic drug; antineoplastic agent; aryl hydrocarbon receptor agonist; calcium channel blocker; hepatoprotective agent; nephroprotective agent
trimipramine maleate	[no description available]	medium	2	0	maleate salt	antidepressant
isotretinoin	[no description available]	medium	6	0	retinoic acid	antineoplastic agent; keratolytic drug; teratogenic agent
xylometazoline hydrochloride	[no description available]	medium	2	0
flunarizine hydrochloride	[no description available]	medium	2	0	diarylmethane
ketotifen fumarate	[no description available]	medium	3	0	organoammonium salt	anti-asthmatic drug; H1-receptor antagonist
cis-flupenthixol dihydrochloride	[no description available]	medium	3	0	hydrochloride	geroprotector
n-arachidonylglycine	[no description available]	medium	2	0	fatty amide; N-acylglycine
n-oleoylethanolamine	[no description available]	medium	3	0	endocannabinoid; N-(long-chain-acyl)ethanolamine; N-acylethanolamine 18:1	EC 3.5.1.23 (ceramidase) inhibitor; geroprotector; PPARalpha agonist
cyclosporine	[no description available]	medium	7	0	homodetic cyclic peptide	anti-asthmatic drug; anticoronaviral agent; antifungal agent; antirheumatic drug; carcinogenic agent; dermatologic drug; EC 3.1.3.16 (phosphoprotein phosphatase) inhibitor; geroprotector; immunosuppressive agent; metabolite
phenoxybenzamine hydrochloride	[no description available]	medium	4	0	organic molecular entity
phenylephrine hydrochloride	[no description available]	medium	1	0	hydrochloride
mepyramine maleate	[no description available]	medium	2	0
fenretinide	[no description available]	high	3	0	monocarboxylic acid amide; retinoid	antineoplastic agent; antioxidant
4-(2-(5,6,7,8-tetrahydro-5,5,8,8-tetramethyl-2-naphthalenyl)-1-propenyl)benzoic acid	[no description available]	medium	2	0	benzoic acids; naphthalenes; retinoid	antineoplastic agent; retinoic acid receptor agonist; teratogenic agent
l-2-(carboxypropyl)glycine	[no description available]	medium	1	0
4-aminocrotonic acid	[no description available]	medium	1	0
denopamine	[no description available]	medium	1	0	dimethoxybenzene
l 655,708	[no description available]	medium	2	0
ro 41-1049	[no description available]	medium	1	0
sb 200646a	[no description available]	medium	2	0
seglitide	[no description available]	medium	2	0
sib 1893	[no description available]	medium	1	0
su 6656	[no description available]	medium	2	0
tyrphostin ag 555	[no description available]	medium	2	0
tyrphostin ag-494	[no description available]	medium	1	0
tyrphostin b44	[no description available]	medium	2	0
ag-490	[no description available]	medium	2	0	catechols; enamide; monocarboxylic acid amide; nitrile; secondary carboxamide	anti-inflammatory agent; antioxidant; apoptosis inducer; EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor; geroprotector; STAT3 inhibitor
ag 112	[no description available]	medium	2	0
ag 183	[no description available]	medium	2	0
semaxinib	[no description available]	medium	2	0	olefinic compound; oxindoles; pyrroles	angiogenesis modulating agent; antineoplastic agent; EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor; vascular endothelial growth factor receptor antagonist
8-(3-chlorostyryl)caffeine	[no description available]	medium	2	0	monochlorobenzenes; trimethylxanthine	adenosine A2A receptor antagonist; EC 1.4.3.4 (monoamine oxidase) inhibitor
bay 11-7085	[no description available]	medium	2	0	benzenes; nitrile; sulfone	anti-inflammatory agent; antibacterial agent; antineoplastic agent; apoptosis inducer; autophagy inducer; EC 2.7.11.10 (IkappaB kinase) inhibitor; ferroptosis inducer; NF-kappaB inhibitor
molsidomine	[no description available]	medium	2	0	ethyl ester; morpholines; oxadiazole; zwitterion	antioxidant; apoptosis inhibitor; cardioprotective agent; nitric oxide donor; vasodilator agent
diamide	[no description available]	medium	2	0	1,1'-azobis(N,N-dimethylformamide)
nomifensine maleate	[no description available]	medium	2	0
nalbuphine hydrochloride	[no description available]	medium	2	0	hydrochloride
isoalloxazine	[no description available]	medium	1	0	benzo[g]pteridine-2,4-dione
vinblastine sulfate	[no description available]	medium	5	0
n-methylscopolamine bromide	[no description available]	medium	1	0
dextromethorphan hydrobromide	[no description available]	medium	4	0	hydrate; hydrobromide
naloxone hydrochloride	[no description available]	medium	1	0	hydrochloride	antidote to opioid poisoning; central nervous system depressant; mu-opioid receptor antagonist
s-trans,trans-farnesylthiosalicylic acid	[no description available]	medium	2	0	sesquiterpenoid
sulindac sulfone	[no description available]	medium	2	0	monocarboxylic acid; organofluorine compound; sulfone	apoptosis inducer; cyclooxygenase 2 inhibitor; EC 1.13.11.34 (arachidonate 5-lipoxygenase) inhibitor
naltrexone hydrochloride	[no description available]	medium	2	0	hydrochloride	antidote to opioid poisoning; central nervous system depressant; mu-opioid receptor antagonist
guanabenz acetate	[no description available]	medium	2	0	dichlorobenzene	geroprotector
nylidrin hydrochloride	[no description available]	medium	2	0	alkylbenzene
triprolidine hydrochloride anhydrous	[no description available]	medium	2	0	hydrochloride	H1-receptor antagonist
famotidine	[no description available]	medium	4	0	1,3-thiazoles; guanidines; sulfonamide	anti-ulcer drug; H2-receptor antagonist; P450 inhibitor
fenoterol	[no description available]	medium	3	0	hydrobromide	beta-adrenergic agonist; bronchodilator agent; sympathomimetic agent
tiapridex	[no description available]	medium	1	0	benzamides
quipazine maleate	[no description available]	medium	2	0
n-(2-aminoethyl)-4-chlorobenzamide hydrochloride	[no description available]	medium	1	0
tulobuterol hydrochloride	[no description available]	medium	2	0	organic molecular entity
hp 029	[no description available]	medium	2	0
n,n,n-trimethyl-1-(4-stilbenoxy)-2-propylammonium iodide	[no description available]	medium	1	0
6-(bromomethylene)tetrahydro-3-(1-naphthaleneyl)-2h-pyran-2-one	[no description available]	medium	2	0	naphthalenes
nf023	[no description available]	medium	1	0
nf 449	[no description available]	medium	2	0
7-chloro-4-hydroxy-2-phenyl-1,8-naphthyridine	[no description available]	medium	2	0
gr 46611	[no description available]	medium	1	0
diacetylmonoxime	[no description available]	medium	1	0
homatropine hydrobromide, (endo-(+-)-isomer)	[no description available]	medium	3	0
vancomycin hydrochloride	[no description available]	medium	1	0
moxisylyte hydrochloride	[no description available]	medium	1	0	monoterpenoid
dizocilpine maleate	[no description available]	medium	9	0	maleate salt; tetracyclic antidepressant	anaesthetic; anticonvulsant; neuroprotective agent; nicotinic antagonist; NMDA receptor antagonist
beta-aminopropionitrile fumarate	[no description available]	medium	1	0
flupirtine	[no description available]	medium	2	0
zimelidine hydrochloride	[no description available]	medium	2	0
pregna-4,17-diene-3,16-dione, (17z)-isomer	[no description available]	medium	2	0
su 4312	[no description available]	medium	2	0
protriptyline hydrochloride	[no description available]	medium	2	0	hydrochloride	antidepressant
n(4)-chloroacetylcytosine arabinoside	[no description available]	medium	1	0
n-(3-(cyclohexylidene-(1h-imidazol-4-ylmethyl))phenyl)ethanesulfonamide	[no description available]	medium	2	0
n-(4-amino-2-chlorophenyl)phthalimide	[no description available]	medium	1	0
cb 34	[no description available]	medium	1	0
b 43	[no description available]	medium	2	0	aromatic amine; aromatic ether; cyclopentanes; primary amino compound; pyrrolopyrimidine	EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor; geroprotector
(8R)-7-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-2,13,14-triol	[no description available]	medium	1	0	aporphine alkaloid
(8R)-7-propyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-2,13,14-triol	[no description available]	medium	1	0	aporphine alkaloid
3-(6-chloro-3-pyridazinyl)-3,8-diazabicyclo(3.2.1)octane	[no description available]	medium	1	0
2-(3,3-diphenylpropylamino)acetamide	[no description available]	medium	2	0	diarylmethane
4-(2-(phenylsulfonylamino)ethylthio)-2,6-difluorophenoxyacetamide	[no description available]	medium	1	0
gw2974	[no description available]	medium	1	0	pyridopyrimidine
l 162313	[no description available]	medium	2	0
l-165041	[no description available]	medium	1	0	aromatic ketone
mrs 1754	[no description available]	medium	1	0	oxopurine
s-nitroso-n-acetylpenicillamine	[no description available]	medium	4	0	nitroso compound; nitrosothio compound	nitric oxide donor; vasodilator agent
pd 404182	[no description available]	medium	1	0
sb 222200	[no description available]	medium	2	0	quinolines
dantrolene sodium	[no description available]	medium	4	0
cr 2945	[no description available]	medium	2	0
sb 218795	[no description available]	medium	2	0	quinolines
dihydroceramide	[no description available]	medium	1	0	N-acylsphinganine
epinephrine bitartrate	[no description available]	medium	2	0
bicuculline methobromide	[no description available]	medium	2	0
butylscopolammonium bromide	[no description available]	medium	2	0
butaclamol hydrochloride	[no description available]	medium	2	0
a 38503	[no description available]	medium	2	0
8-hydroxy-2-(di-n-propylamino)tetralin hydrobromide	[no description available]	medium	1	0
sk&f 89976-a	[no description available]	medium	1	0
cv 1808	[no description available]	medium	2	0	purine nucleoside
fluvoxamine maleate	[no description available]	medium	3	0	(trifluoromethyl)benzenes
naloxone benzoylhydrazone	[no description available]	medium	2	0
2-methyl-6-(phenylethynyl)pyridine hydrochloride	[no description available]	medium	2	0	hydrochloride	anxiolytic drug; metabotropic glutamate receptor antagonist
amiprilose	[no description available]	medium	1	0
(R)-fluoxetine hydrochloride	[no description available]	medium	2	0	hydrochloride	antidepressant; serotonin uptake inhibitor
desmethylselegiline hydrochloride	[no description available]	medium	1	0
3-morpholino-sydnonimine monohydrochloride	[no description available]	medium	2	0
t 1032	[no description available]	medium	2	0
qx-314 bromide	[no description available]	medium	1	0
(S)-fluoxetine hydrochloride	[no description available]	medium	2	0	hydrochloride	antidepressant; serotonin uptake inhibitor
sr 59230a	[no description available]	medium	2	0
u 74389g	[no description available]	medium	2	0
1-(2-methoxyphenyl)piperazine hydrochloride	[no description available]	medium	2	0
y 27632, dihydrochloride, (4(r)-trans)-isomer	[no description available]	medium	1	0
noscapine hydrochloride	[no description available]	medium	2	0
a 77636	[no description available]	medium	2	0	hydrochloride	antiparkinson drug; dopamine agonist
cgp 20712a	[no description available]	medium	2	0
levodopa methyl ester hydrochloride	[no description available]	medium	2	0
benalfocin hydrochloride	[no description available]	medium	1	0
lu 19005	[no description available]	medium	2	0
benoxathian hydrochloride	[no description available]	medium	2	0
((2-n-butyl-6,7-dichloro-2-cyclopentyl-2,3-dihydro-1-oxo-1h-inden-5-yl)oxy)acetic acid, (+)-isomer	[no description available]	medium	2	0
n-cyclopropyl adenosine-5'-carboxamide	[no description available]	medium	1	0
cefotaxime sodium	[no description available]	medium	2	0	organic sodium salt
calpain inhibitor iii	[no description available]	medium	2	0
GR 127935 hydrochloride	[no description available]	medium	2	0	hydrochloride	serotonergic antagonist
mrs 1845	[no description available]	medium	2	0
1-aminocyclopropane-1-carboxylic acid hydrochloride	[no description available]	medium	2	0
alaproclate hydrochloride	[no description available]	medium	2	0
ubenimex	[no description available]	medium	2	0	peptide
3-chloroalanine hydrochloride, (l-ala)-isomer	[no description available]	medium	1	0
dsp 4 hydrochloride	[no description available]	medium	2	0
calcimycin	[no description available]	medium	30	0	benzoxazole
(2-(2',6'-dimethoxy)phenoxyethylamino)methylbenzodioxan hydrochloride	[no description available]	medium	2	0	hydrochloride	alpha-adrenergic antagonist
2-cyclooctyl-2-hydroxyethylamine hydrochloride	[no description available]	medium	2	0
cirazoline monohydrochloride	[no description available]	medium	2	0
adtn	[no description available]	medium	2	0
apocodeine hydrochloride, (r)-isomer	[no description available]	medium	2	0
Dihydro-beta-erythroidine hydrobromide	[no description available]	medium	1	0	indoles
lilly 78335	[no description available]	medium	2	0
efaroxan hydrochloride	[no description available]	medium	2	0
fenoldopam hydrobromide	[no description available]	medium	2	0
1-[2-(benzhydryloxy)ethyl]-4-(3-phenylpropyl)piperazine dihydrochloride	[no description available]	medium	2	0	hydrochloride	dopamine uptake inhibitor
guvacine hydrochloride	[no description available]	medium	1	0
7-hydroxy-2-n,n-dipropylaminotetralin hydrobromide	[no description available]	medium	2	0
8-hydroxy-2-(di-n-propylamino)tetralin hydrobromide, (r)-isomer,	[no description available]	medium	2	0	organic molecular entity
1-(2-(4-(4-fluoro-benzoyl)-piperidin-1-yl)-ethyl)-3,3-dimethyl-1,2-dihydro-indol-2-one	[no description available]	medium	2	0	hydrochloride	receptor modulator; serotonergic antagonist
4-iodoclonidine	[no description available]	medium	2	0
4-methylpyrazole monohydrochloride	[no description available]	medium	1	0
tele-methylhistamine	[no description available]	medium	1	0
alpha-methyltyrosine methyl ester, monohydrochloride	[no description available]	medium	2	0
octoclothepine maleate	[no description available]	medium	2	0
2-(n-phenethyl-n-propyl)amino-5-hydroxytetralin hydrochloride	[no description available]	medium	2	0
du 24565	[no description available]	medium	2	0
2-methoxyidazoxan hydrochloride	[no description available]	medium	2	0
ro 25-6981	[no description available]	medium	2	0
sk&f 77434	[no description available]	medium	2	0	hydrobromide	dopamine agonist; prodrug
3-[(6aR,9R,10aR)-7-methyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline-9-yl]-1,1-diethylurea	[no description available]	medium	2	0	organic heterotetracyclic compound; organonitrogen heterocyclic compound
demethylcantharidin	[no description available]	medium	2	0
atropine sulfate	[no description available]	medium	3	0
1-deoxynojirimycin hydrochloride	[no description available]	medium	1	0
win 62577	[no description available]	medium	2	0
quinine sulfate	[no description available]	medium	4	0	hydrate
quercetin	[no description available]	medium	2	0
rv 538, (r-(r,r))-isomer	[no description available]	medium	2	0
3,4-dichloro-n-methyl-n-(2-(1-pyrrolidinyl)cyclohexyl)-benzeneacetamide, (1s-cis)-isomer	[no description available]	medium	2	0
valproate sodium	[no description available]	medium	1	0	organic sodium salt	geroprotector
u 63557a	[no description available]	medium	1	0
taurocholic acid, monosodium salt	[no description available]	medium	2	0	bile salt
cefmetazole sodium	[no description available]	medium	1	0	organic sodium salt	antimicrobial agent
fusidate sodium	[no description available]	medium	2	0
cephapirin sodium	[no description available]	medium	3	0	cephalosporin; organic sodium salt	antibacterial drug
sodium cephalothin	[no description available]	medium	3	0	organic sodium salt
cefazolin sodium	[no description available]	medium	3	0	organic sodium salt
5-hydroxydecanoic acid, monosodium salt	[no description available]	medium	1	0
ro13-9904	[no description available]	medium	1	0
phenytoin sodium	[no description available]	medium	1	0
cr 1409	[no description available]	medium	1	0
cortisol succinate, sodium salt	[no description available]	medium	2	0	organic molecular entity
piroxicam	[no description available]	medium	7	0	benzothiazine; monocarboxylic acid amide; pyridines	analgesic; antirheumatic drug; cyclooxygenase 1 inhibitor; EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor; non-steroidal anti-inflammatory drug
lfm a13	[no description available]	medium	1	0	aromatic amide; dibromobenzene; enamide; enol; nitrile; secondary carboxamide	antineoplastic agent; apoptosis inducer; EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor; EC 2.7.11.21 (polo kinase) inhibitor; geroprotector; platelet aggregation inhibitor
l 701324	[no description available]	medium	1	0	quinolines
hispidin	[no description available]	medium	2	0	2-pyranones; catechols	antioxidant; EC 2.7.11.13 (protein kinase C) inhibitor; fungal metabolite
minocycline hydrochloride	[no description available]	medium	5	0
demeclocycline hydrochloride	[no description available]	medium	4	0
acyclovir	[no description available]	medium	2	0	2-aminopurines; oxopurine	antimetabolite; antiviral drug
sepiapterin	[no description available]	medium	1	0	sepiapterin
isoxanthopterin	[no description available]	medium	1	0	dihydroxypteridine
ganciclovir	[no description available]	medium	2	0	2-aminopurines; oxopurine	antiinfective agent; antiviral drug
zaprinast	[no description available]	medium	4	0	triazolopyrimidines
allopurinol	[no description available]	medium	27	0	nucleobase analogue; organic heterobicyclic compound	antimetabolite; EC 1.17.3.2 (xanthine oxidase) inhibitor; gout suppressant; radical scavenger
thiolactomycin	[no description available]	medium	1	0
2,4-diaminohypoxanthine	[no description available]	medium	1	0	hydroxypyrimidine
quazinone	[no description available]	medium	1	0
8-bromocyclic gmp, sodium salt	[no description available]	medium	2	0	organic sodium salt	muscle relaxant; protein kinase G agonist
ag-879	[no description available]	medium	2	0
fenazaquin	[no description available]	medium	3	0	quinazolines	acaricide; mitochondrial NADH:ubiquinone reductase inhibitor
pyridaben	[no description available]	medium	8	0	organochlorine acaricide; organochlorine insecticide; pyridazinone	mitochondrial NADH:ubiquinone reductase inhibitor
2,4-dinitrophenol	[no description available]	medium	48	0	dinitrophenol	allergen; antiseptic drug; bacterial xenobiotic metabolite; geroprotector; oxidative phosphorylation inhibitor
sodium fluoride	[no description available]	medium	8	0	fluoride salt	mutagen
quinazolines	[no description available]	medium	6	0	azaarene; mancude organic heterobicyclic parent; ortho-fused heteroarene; quinazolines
nitazoxanide	[no description available]	medium	2	0	benzamides; carboxylic ester
carnitine	[no description available]	medium	36	0	amino-acid betaine	human metabolite; mouse metabolite
bupropion	[no description available]	medium	1	0	aromatic ketone; monochlorobenzenes; secondary amino compound	antidepressant; environmental contaminant; xenobiotic
hoe 33342	[no description available]	medium	1	0	bibenzimidazole; N-methylpiperazine	fluorochrome
amantadine	[no description available]	medium	1	0	adamantanes; primary aliphatic amine	analgesic; antiparkinson drug; antiviral drug; dopaminergic agent; NMDA receptor antagonist; non-narcotic analgesic
p-aminohippuric acid	[no description available]	medium	2	0	N-acylglycine	Daphnia magna metabolite
amiodarone	[no description available]	medium	4	0	1-benzofurans; aromatic ketone; organoiodine compound; tertiary amino compound	cardiovascular drug
amitriptyline	[no description available]	medium	3	0	carbotricyclic compound; tertiary amine	adrenergic uptake inhibitor; antidepressant; environmental contaminant; tropomyosin-related kinase B receptor agonist; xenobiotic
antipyrine	[no description available]	medium	5	0	pyrazolone	antipyretic; cyclooxygenase 3 inhibitor; environmental contaminant; non-narcotic analgesic; non-steroidal anti-inflammatory drug; xenobiotic
astemizole	[no description available]	medium	5	0	benzimidazoles; piperidines	anti-allergic agent; anticoronaviral agent; H1-receptor antagonist
benzbromarone	[no description available]	medium	4	0	1-benzofurans; aromatic ketone	uricosuric drug
verapamil	[no description available]	medium	11	0	aromatic ether; nitrile; polyether; tertiary amino compound
chloroquine	[no description available]	medium	11	0	aminoquinoline; organochlorine compound; secondary amino compound; tertiary amino compound	anticoronaviral agent; antimalarial; antirheumatic drug; autophagy inhibitor; dermatologic drug
chlorpromazine	[no description available]	medium	15	0	organochlorine compound; phenothiazines; tertiary amine	anticoronaviral agent; antiemetic; dopaminergic antagonist; EC 3.4.21.26 (prolyl oligopeptidase) inhibitor; phenothiazine antipsychotic drug
desipramine	[no description available]	medium	5	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
diclofenac	[no description available]	medium	3	0	amino acid; aromatic amine; dichlorobenzene; monocarboxylic acid; secondary amino compound	antipyretic; drug allergen; EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor; environmental contaminant; non-narcotic analgesic; non-steroidal anti-inflammatory drug; xenobiotic
valproic acid	[no description available]	medium	9	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
fendiline	[no description available]	medium	1	0	diarylmethane
fexofenadine	[no description available]	medium	3	0	piperidines; tertiary amine	anti-allergic agent; H1-receptor antagonist
fluorescite	[no description available]	medium	2	0	benzoic acids; cyclic ketone; hydroxy monocarboxylic acid; organic heterotricyclic compound; phenols; xanthene dye	fluorescent dye; radioopaque medium
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
gliclazide	[no description available]	medium	4	0	N-sulfonylurea	hypoglycemic agent; insulin secretagogue; radical scavenger
glimepiride	[no description available]	medium	4	0	sulfonamide
isoniazid	[no description available]	medium	8	0	carbohydrazide	antitubercular agent; drug allergen
isradipine	[no description available]	medium	3	0	benzoxadiazole; dihydropyridine; isopropyl ester; methyl ester
loperamide	[no description available]	medium	1	0	monocarboxylic acid amide; monochlorobenzenes; piperidines; tertiary alcohol	anticoronaviral agent; antidiarrhoeal drug; mu-opioid receptor agonist
maprotiline	[no description available]	medium	4	0	anthracenes
mesalamine	[no description available]	medium	1	0	amino acid; aromatic amine; monocarboxylic acid; monohydroxybenzoic acid; phenols	non-steroidal anti-inflammatory drug
metoprolol	[no description available]	medium	2	0	aromatic ether; propanolamine; secondary alcohol; secondary amino compound	antihypertensive agent; beta-adrenergic antagonist; environmental contaminant; geroprotector; xenobiotic
nevirapine	[no description available]	medium	2	0	cyclopropanes; dipyridodiazepine	antiviral drug; HIV-1 reverse transcriptase inhibitor
nicardipine	[no description available]	medium	4	0	benzenes; C-nitro compound; diester; dihydropyridine; methyl ester; tertiary amino compound
nizatidine	[no description available]	medium	1	0	1,3-thiazoles; C-nitro compound; carboxamidine; organic sulfide; tertiary amino compound	anti-ulcer drug; cholinergic drug; H2-receptor antagonist
omeprazole	[no description available]	medium	3	0	aromatic ether; benzimidazoles; pyridines; sulfoxide
oxazepam	[no description available]	medium	1	0	1,4-benzodiazepinone; organochlorine compound	anxiolytic drug; environmental contaminant; xenobiotic
phenacetin	[no description available]	medium	4	0	acetamides; aromatic ether	cyclooxygenase 3 inhibitor; non-narcotic analgesic; peripheral nervous system drug
phenobarbital	[no description available]	medium	10	0	barbiturates	anticonvulsant; drug allergen; excitatory amino acid antagonist; sedative
pramoxine	[no description available]	medium	1	0	aromatic ether; morpholines	local anaesthetic
prazosin	[no description available]	medium	3	0	aromatic ether; furans; monocarboxylic acid amide; piperazines; quinazolines	alpha-adrenergic antagonist; antihypertensive agent; EC 3.4.21.26 (prolyl oligopeptidase) inhibitor
probenecid	[no description available]	medium	9	0	benzoic acids; sulfonamide	uricosuric drug
procyclidine	[no description available]	medium	2	0	pyrrolidines; tertiary alcohol	antidyskinesia agent; antiparkinson drug; muscarinic antagonist
propafenone	[no description available]	medium	3	0	aromatic ketone; secondary alcohol; secondary amino compound	anti-arrhythmia drug
ranitidine	[no description available]	medium	4	0	aralkylamine
sotalol	[no description available]	medium	2	0	ethanolamines; secondary alcohol; secondary amino compound; sulfonamide	anti-arrhythmia drug; beta-adrenergic antagonist; environmental contaminant; xenobiotic
sulfanitran	[no description available]	medium	2	0	sulfonamide
sulfasalazine	[no description available]	medium	5	0
sulfinpyrazone	[no description available]	medium	3	0	pyrazolidines; sulfoxide	uricosuric drug
terazosin	[no description available]	medium	2	0	furans; piperazines; primary amino compound; quinazolines	alpha-adrenergic antagonist; antihypertensive agent; antineoplastic agent
thioridazine	[no description available]	medium	1	0	phenothiazines; piperidines	alpha-adrenergic antagonist; dopaminergic antagonist; EC 1.8.1.12 (trypanothione-disulfide reductase) inhibitor; EC 3.4.21.26 (prolyl oligopeptidase) inhibitor; first generation antipsychotic; H1-receptor antagonist; serotonergic antagonist
tinidazole	[no description available]	medium	2	0	imidazoles	antiamoebic agent; antibacterial drug; antiparasitic agent; antiprotozoal drug
ultram	[no description available]	medium	1	0	aromatic ether; tertiary alcohol; tertiary amino compound
prednisolone	[no description available]	medium	2	0	11beta-hydroxy steroid; 17alpha-hydroxy steroid; 20-oxo steroid; 21-hydroxy steroid; 3-oxo-Delta(1),Delta(4)-steroid; C21-steroid; glucocorticoid; primary alpha-hydroxy ketone; tertiary alpha-hydroxy ketone	adrenergic agent; anti-inflammatory drug; antineoplastic agent; drug metabolite; environmental contaminant; immunosuppressive agent; xenobiotic
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
ethinyl estradiol	[no description available]	medium	5	0	17-hydroxy steroid; 3-hydroxy steroid; terminal acetylenic compound	xenoestrogen
sulfobromophthalein sodium	[no description available]	medium	1	0	organic sodium salt	dye
taurocholic acid	[no description available]	medium	2	0	amino sulfonic acid; bile acid taurine conjugate	human metabolite
phenformin	[no description available]	high	6	0	biguanides	antineoplastic agent; geroprotector; hypoglycemic agent
nandrolone	[no description available]	medium	1	0	17beta-hydroxy steroid; 3-oxo-Delta(4) steroid; anabolic androgenic steroid	human metabolite
chenodeoxycholic acid	[no description available]	medium	3	0	bile acid; C24-steroid; dihydroxy-5beta-cholanic acid	human metabolite; mouse metabolite
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
dehydroepiandrosterone sulfate	[no description available]	medium	2	0	17-oxo steroid; steroid sulfate	EC 2.7.1.33 (pantothenate kinase) inhibitor; human metabolite; mouse metabolite
glycyrrhizic acid	[no description available]	medium	2	0	enone; glucosiduronic acid; pentacyclic triterpenoid; tricarboxylic acid; triterpenoid saponin	EC 3.4.21.5 (thrombin) inhibitor; plant metabolite
amiloride	[no description available]	medium	8	0	aromatic amine; guanidines; organochlorine compound; pyrazines	diuretic; sodium channel blocker
phenethyl isothiocyanate	[no description available]	medium	1	0	isothiocyanate	antineoplastic agent; EC 1.2.1.3 [aldehyde dehydrogenase (NAD(+))] inhibitor; metabolite
du-21220	[no description available]	medium	1	0	benzyl alcohols; polyphenol; secondary alcohol; secondary amino compound
timolol	[no description available]	medium	2	0	timolol	anti-arrhythmia drug; antiglaucoma drug; antihypertensive agent; beta-adrenergic antagonist
diltiazem	[no description available]	medium	5	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
1-methyl-4-phenylpyridinium	[no description available]	medium	100	0	pyridinium ion	apoptosis inducer; herbicide; human xenobiotic metabolite; neurotoxin
cefadroxil anhydrous	[no description available]	medium	4	0	cephalosporin	antibacterial drug
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
sparfloxacin	[no description available]	medium	2	0	fluoroquinolone antibiotic; N-arylpiperazine; quinolinemonocarboxylic acid; quinolone antibiotic; quinolone
irinotecan	[no description available]	high	2	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
n-methylnicotinamide	[no description available]	medium	2	0	pyridinecarboxamide	metabolite
baicalin	[no description available]	medium	3	0	dihydroxyflavone; glucosiduronic acid; glycosyloxyflavone; monosaccharide derivative	antiatherosclerotic agent; antibacterial agent; anticoronaviral agent; antineoplastic agent; antioxidant; cardioprotective agent; EC 2.7.7.48 (RNA-directed RNA polymerase) inhibitor; EC 3.4.21.26 (prolyl oligopeptidase) inhibitor; ferroptosis inhibitor; neuroprotective agent; non-steroidal anti-inflammatory drug; plant metabolite; prodrug
glutathione disulfide	[no description available]	medium	7	0	glutathione derivative; organic disulfide	Escherichia coli metabolite; mouse metabolite
4-nitrophenylglucuronide	[no description available]	medium	1	0	beta-D-glucosiduronic acid; C-nitro compound	chromogenic compound
acetaminophen glucuronide	[no description available]	medium	1	0	beta-D-glucosiduronic acid	drug metabolite
nicotine	[no description available]	high	18	0	3-(1-methylpyrrolidin-2-yl)pyridine	anxiolytic drug; biomarker; immunomodulator; mitogen; neurotoxin; nicotinic acetylcholine receptor agonist; peripheral nervous system drug; phytogenic insecticide; plant metabolite; psychotropic drug; teratogenic agent; xenobiotic
lopinavir	[no description available]	medium	3	0	amphetamines; dicarboxylic acid diamide	anticoronaviral agent; antiviral drug; HIV protease inhibitor
fluo-3	[no description available]	medium	3	0	xanthene dye	fluorochrome
elacridar	[no description available]	medium	2	0
imatinib mesylate	[no description available]	medium	1	0	methanesulfonate salt	anticoronaviral agent; antineoplastic agent; apoptosis inducer; tyrosine kinase inhibitor
gefitinib	[no description available]	medium	3	0	aromatic ether; monochlorobenzenes; monofluorobenzenes; morpholines; quinazolines; secondary amino compound; tertiary amino compound	antineoplastic agent; epidermal growth factor receptor antagonist
5-carboxyfluorescein diacetate	[no description available]	medium	1	0
disopyramide, (s)-isomer	[no description available]	medium	1	0
naproxen	[no description available]	medium	6	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
naproxen	[no description available]	medium	6	1	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	5	0
erlotinib	[no description available]	medium	1	0	aromatic ether; quinazolines; secondary amino compound; terminal acetylenic compound	antineoplastic agent; epidermal growth factor receptor antagonist; protein kinase inhibitor
cholic acid	[no description available]	medium	4	0	12alpha-hydroxy steroid; 3alpha-hydroxy steroid; 7alpha-hydroxy steroid; bile acid; C24-steroid; trihydroxy-5beta-cholanic acid	human metabolite; mouse metabolite
noscapine	[no description available]	high	2	0	aromatic ether; benzylisoquinoline alkaloid; cyclic acetal; isobenzofuranone; organic heterobicyclic compound; organic heterotricyclic compound; tertiary amino compound	antineoplastic agent; antitussive; apoptosis inducer; plant metabolite
ritonavir	[no description available]	medium	5	0	1,3-thiazoles; carbamate ester; carboxamide; L-valine derivative; ureas	antiviral drug; environmental contaminant; HIV protease inhibitor; xenobiotic
naringenin	[no description available]	medium	6	0	(2S)-flavan-4-one; naringenin	expectorant; plant metabolite
taxifolin	[no description available]	medium	5	0	taxifolin	metabolite
taurolithocholic acid	[no description available]	medium	2	0	bile acid taurine conjugate; monocarboxylic acid amide	human metabolite
quinidine	[no description available]	medium	6	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
saquinavir	[no description available]	medium	2	0	L-asparagine derivative; quinolines	antiviral drug; HIV protease inhibitor
diethylstilbestrol	[no description available]	high	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
cefamandole	[no description available]	medium	1	0	cephalosporin; semisynthetic derivative	antibacterial drug
chlorprothixene	[no description available]	medium	1	0	chlorprothixene
digoxin	[no description available]	medium	4	0	cardenolide glycoside; steroid saponin	anti-arrhythmia drug; cardiotonic drug; EC 3.6.3.9 (Na(+)/K(+)-transporting ATPase) inhibitor; epitope
fusidic acid	[no description available]	medium	2	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	2	0	17-oxo steroid; steroid sulfate	human metabolite; mouse metabolite
quinine	[no description available]	medium	8	0	cinchona alkaloid	antimalarial; muscle relaxant; non-narcotic analgesic
biochanin a	[no description available]	medium	3	0	4'-methoxyisoflavones; 7-hydroxyisoflavones	antineoplastic agent; EC 3.5.1.99 (fatty acid amide hydrolase) inhibitor; phytoestrogen; plant metabolite; tyrosine kinase inhibitor
chrysin	[no description available]	medium	4	0	7-hydroxyflavonol; dihydroxyflavone	anti-inflammatory agent; antineoplastic agent; antioxidant; EC 2.7.11.18 (myosin-light-chain kinase) inhibitor; hepatoprotective agent; plant metabolite
l 660,711	[no description available]	medium	2	0	quinolines
indocyanine green	[no description available]	medium	1	0	1,1-diunsubstituted alkanesulfonate; benzoindole; cyanine dye
dextromethorphan	[no description available]	medium	1	0	6-methoxy-11-methyl-1,3,4,9,10,10a-hexahydro-2H-10,4a-(epiminoethano)phenanthrene	antitussive; environmental contaminant; neurotoxin; NMDA receptor antagonist; oneirogen; prodrug; xenobiotic
lisinopril	[no description available]	medium	4	0	dipeptide	EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor
indinavir sulfate	[no description available]	medium	2	0	dicarboxylic acid diamide; N-(2-hydroxyethyl)piperazine; piperazinecarboxamide	HIV protease inhibitor
nitrofurantoin	[no description available]	medium	5	0	imidazolidine-2,4-dione; nitrofuran antibiotic; organonitrogen heterocyclic antibiotic; organooxygen heterocyclic antibiotic	antibacterial drug; antiinfective agent; hepatotoxic agent
ko 143	[no description available]	medium	1	0	beta-carbolines; tert-butyl ester
amodiaquine hydrochloride	[no description available]	medium	1	0
warfarin	[no description available]	medium	18	0	benzenes; hydroxycoumarin; methyl ketone
tipranavir	[no description available]	medium	1	0	sulfonamide	antiviral drug; HIV protease inhibitor
valacyclovir	[no description available]	medium	1	0	L-valyl ester	antiviral drug
leucovorin	[no description available]	medium	1	0	formyltetrahydrofolic acid	Escherichia coli metabolite; mouse metabolite
vitamin k 3	[no description available]	high	14	0	1,4-naphthoquinones; vitamin K	angiogenesis inhibitor; antineoplastic agent; EC 3.4.22.69 (SARS coronavirus main proteinase) inhibitor; human urinary metabolite; nutraceutical
flavone	[no description available]	medium	4	0	flavones	metabolite; nematicide
2,6-dichloroindophenol	[no description available]	medium	8	0	dichlorobenzene; quinone imine
atovaquone	[no description available]	medium	4	0	hydroxy-1,2-naphthoquinone
1-hydroxy-2-dodecyl-4(1h)quinolone	[no description available]	medium	1	0
bithionol	[no description available]	medium	3	0	aryl sulfide; bridged diphenyl antifungal drug; bridged diphenyl fungicide; dichlorobenzene; organochlorine pesticide; polyphenol	antifungal agrochemical; antiplatyhelmintic drug
dichlorophen	[no description available]	medium	1	0	bridged diphenyl fungicide; diarylmethane
n-(2-cyclohexyloxy-4-nitrophenyl)methanesulfonamide	[no description available]	medium	1	0	aromatic ether; C-nitro compound; sulfonamide	antineoplastic agent; cyclooxygenase 2 inhibitor
6-bromoindirubin-3'-oxime	[no description available]	medium	2	0
dinoprostone	[no description available]	medium	8	0	prostaglandins E	human metabolite; mouse metabolite; oxytocic
16,16-dimethylprostaglandin e2	[no description available]	medium	1	0	cyclopentanones; monocarboxylic acid; prostanoid; secondary allylic alcohol	anti-ulcer drug; gastrointestinal drug; radiation protective agent
dicumarol	[no description available]	medium	33	0	hydroxycoumarin	anticoagulant; EC 1.6.5.2 [NAD(P)H dehydrogenase (quinone)] inhibitor; Hsp90 inhibitor; vitamin K antagonist
formic acid	[no description available]	medium	3	0	monocarboxylic acid	antibacterial agent; astringent; metabolite; protic solvent; solvent
methyl formate	[no description available]	medium	1	0	formate ester; methyl ester; volatile organic compound	fumigant; insecticide; polar aprotic solvent; refrigerant
ethyl formate	[no description available]	medium	1	0	ethyl ester; formate ester	fumigant; plant metabolite
sodium cyanide	[no description available]	medium	16	0	cyanide salt; one-carbon compound; sodium salt	EC 1.15.1.1 (superoxide dismutase) inhibitor
sodium acetate, anhydrous	[no description available]	medium	1	0	organic sodium salt	NMR chemical shift reference compound
formic acid, sodium salt	[no description available]	medium	1	0	organic sodium salt	astringent; buffer
sodium propionate	[no description available]	medium	2	0	organic sodium salt	antifungal drug; food preservative
hydramethylnon	[no description available]	medium	1	0	hydramethylnon
catechin	[no description available]	medium	1	0	hydroxyflavan
pinocembrin	[no description available]	medium	2	0	(2S)-flavan-4-one; dihydroxyflavanone	antineoplastic agent; antioxidant; metabolite; neuroprotective agent; vasodilator agent
toosendanin	[no description available]	medium	1	0	limonoid
uridine	[no description available]	medium	7	0	uridines	drug metabolite; fundamental metabolite; human metabolite
laherradurin	[no description available]	medium	1	0
cgp 52411	[no description available]	medium	1	0	phthalimides	geroprotector; tyrosine kinase inhibitor
aa 861	[no description available]	medium	1	0	1,4-benzoquinones; acetylenic compound; primary alcohol	EC 1.13.11.34 (arachidonate 5-lipoxygenase) inhibitor; ferroptosis inhibitor
bu 224	[no description available]	medium	1	0	quinolines
ml 9	[no description available]	medium	1	0	naphthalenes; sulfonic acid derivative
pd 169316	[no description available]	medium	1	0	imidazoles
2-bromoergocryptine mesylate	[no description available]	medium	2	0	methanesulfonate salt	antiparkinson drug
salmeterol xinafoate	[no description available]	medium	2	0	naphthoic acid
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
eliprodil	[no description available]	medium	1	0	monochlorobenzenes; monofluorobenzenes; piperidines; secondary alcohol; tertiary amino compound
sertraline hydrochloride	[no description available]	medium	1	0	hydrochloride	antidepressant; serotonin uptake inhibitor
opipramol hydrochloride	[no description available]	medium	1	0
1-(2-(3-(4-methoxyphenyl)propoxy)-4-methoxyphenylethyl)-1h-imidazole	[no description available]	medium	1	0	ether; imidazoles; monomethoxybenzene	TRP channel blocker
u 78517f	[no description available]	medium	1	0
mk 912	[no description available]	medium	1	0
sk&f 86466	[no description available]	medium	1	0	benzazepine
w 7	[no description available]	medium	1	0
4-(benzodioxan-5-yl)-1-(indan-2-yl)piperazine	[no description available]	medium	1	0
dizocilpine	[no description available]	medium	1	0	secondary amino compound; tetracyclic antidepressant	anaesthetic; anticonvulsant; neuroprotective agent; nicotinic antagonist; NMDA receptor antagonist
phenylthiazolylthiourea	[no description available]	medium	1	0
(2'-(4-aminophenyl)-(2,5'-bi-1h-benzimidazol)-5-amine)	[no description available]	medium	1	0	benzimidazoles
tg 003	[no description available]	medium	1	0
3-(n,n-dimethylsulfonamido)-4-methyl-nitrobenzene	[no description available]	medium	1	0	C-nitro compound; sulfonamide; toluenes	bone density conservation agent; EC 3.1.4.53 (3',5'-cyclic-AMP phosphodiesterase) inhibitor; geroprotector
l 663536	[no description available]	medium	1	0	aryl sulfide; indoles; monocarboxylic acid; monochlorobenzenes	antineoplastic agent; EC 1.13.11.34 (arachidonate 5-lipoxygenase) inhibitor; leukotriene antagonist
su 9516	[no description available]	medium	1	0
ml 10302	[no description available]	medium	1	0
ag 538	[no description available]	medium	1	0
bw b70c	[no description available]	medium	1	0	aromatic ether; hydroxamic acid; organofluorine compound; ureas	EC 1.13.11.34 (arachidonate 5-lipoxygenase) inhibitor
mg 624	[no description available]	medium	1	0
5-(4-phenylbutoxy)psoralen	[no description available]	medium	1	0	aromatic ether; benzenes; psoralens	geroprotector; immunosuppressive agent; potassium channel blocker
bisoprolol, fumarate (1:1) salt	[no description available]	medium	2	0
8-(n,n-diethylamino)octyl-3,4,5-trimethoxybenzoate hydrochloride	[no description available]	medium	1	0
ro 8-4304	[no description available]	medium	1	0
sb 203186	[no description available]	medium	1	0
2-hydroxyapomorphine, (r)-isomer	[no description available]	medium	1	0
N-methyl-6-chloro-1-(3-methylphenyl)-2,3,4,5-tetrahydro-3-benzazepine-7,8-diol hydrobromide	[no description available]	medium	1	0	hydrobromide	dopamine agonist; prodrug
plumbagin	[no description available]	medium	2	0	hydroxy-1,4-naphthoquinone; phenols	anticoagulant; antineoplastic agent; immunological adjuvant; metabolite
8,8'-biplumbagin	[no description available]	medium	1	0
ubiquinone q1	[no description available]	medium	9	0	ubiquinones
2,6-dimethyl-1,4-benzoquinone	[no description available]	medium	1	0
ubiquinone-o	[no description available]	medium	1	0	ubiquinones	Escherichia coli metabolite; human metabolite
ethylene dichloride	[no description available]	medium	2	0	chloroethanes	hepatotoxic agent; mutagen; non-polar solvent
ethylene glycol	[no description available]	medium	2	0	ethanediol; glycol	metabolite; mouse metabolite; solvent; toxin
hexachlorocyclohexane	[no description available]	medium	2	0	chlorocyclohexane
inositol	[no description available]	medium	3	0	cyclitol; hexol
niacin	[no description available]	high	6	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
pyridoxine	[no description available]	medium	2	0	hydroxymethylpyridine; methylpyridines; monohydroxypyridine; vitamin B6	cofactor; Escherichia coli metabolite; human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite
thiamine	[no description available]	medium	3	0	primary alcohol; vitamin B1	Escherichia coli metabolite; human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite
3-methylcholanthrene	[no description available]	medium	5	0	ortho- and peri-fused polycyclic arene	aryl hydrocarbon receptor agonist; carcinogenic agent
tacrine	[no description available]	medium	4	0	acridines; aromatic amine	EC 3.1.1.7 (acetylcholinesterase) inhibitor
acetaminophen	[no description available]	medium	6	0	acetamides; phenols	antipyretic; cyclooxygenase 1 inhibitor; cyclooxygenase 2 inhibitor; cyclooxygenase 3 inhibitor; environmental contaminant; ferroptosis inducer; geroprotector; hepatotoxic agent; human blood serum metabolite; non-narcotic analgesic; non-steroidal anti-inflammatory drug; xenobiotic
albendazole	[no description available]	medium	4	0	aryl sulfide; benzimidazoles; benzimidazolylcarbamate fungicide; carbamate ester	anthelminthic drug; microtubule-destabilising agent; tubulin modulator
bupivacaine	[no description available]	medium	3	0	aromatic amide; piperidinecarboxamide; tertiary amino compound
buspirone	[no description available]	medium	3	0	azaspiro compound; N-alkylpiperazine; N-arylpiperazine; organic heteropolycyclic compound; piperidones; pyrimidines	anxiolytic drug; EC 3.4.21.26 (prolyl oligopeptidase) inhibitor; sedative; serotonergic agonist
busulfan	[no description available]	medium	3	0	methanesulfonate ester	alkylating agent; antineoplastic agent; carcinogenic agent; insect sterilant; teratogenic agent
candesartan	[no description available]	medium	2	0	benzimidazolecarboxylic acid; biphenylyltetrazole	angiotensin receptor antagonist; antihypertensive agent; environmental contaminant; xenobiotic
ciclopirox	[no description available]	medium	3	0	cyclic hydroxamic acid; hydroxypyridone antifungal drug; pyridone	antibacterial agent; antiseborrheic
cisapride	[no description available]	medium	2	0	benzamides
citalopram	[no description available]	medium	3	0	2-benzofurans; cyclic ether; nitrile; organofluorine compound; tertiary amino compound
clomipramine	[no description available]	medium	3	0	dibenzoazepine	anticoronaviral agent; antidepressant; EC 1.8.1.12 (trypanothione-disulfide reductase) inhibitor; serotonergic antagonist; serotonergic drug; serotonin uptake inhibitor
cromolyn	[no description available]	medium	2	0	chromones; dicarboxylic acid	anti-asthmatic drug; calcium channel blocker
dapsone	[no description available]	medium	3	0	substituted aniline; sulfone	anti-inflammatory drug; antiinfective agent; antimalarial; leprostatic drug
diethylcarbamazine	[no description available]	medium	2	0	N-carbamoylpiperazine; N-methylpiperazine
diflunisal	[no description available]	medium	2	0	monohydroxybenzoic acid; organofluorine compound	non-narcotic analgesic; non-steroidal anti-inflammatory drug
dimercaprol	[no description available]	medium	8	0	dithiol; primary alcohol	chelator
donepezil	[no description available]	medium	3	0	aromatic ether; indanones; piperidines; racemate	EC 3.1.1.7 (acetylcholinesterase) inhibitor; EC 3.1.1.8 (cholinesterase) inhibitor; nootropic agent
carbonyl cyanide p-trifluoromethoxyphenylhydrazone	[no description available]	medium	111	0	aromatic ether; hydrazone; nitrile; organofluorine compound	ATP synthase inhibitor; geroprotector; ionophore
fipexide	[no description available]	medium	2	0	benzodioxoles
fluconazole	[no description available]	medium	3	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
flufenamic acid	[no description available]	medium	5	0	aromatic amino acid; organofluorine compound	antipyretic; EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor; non-narcotic analgesic; non-steroidal anti-inflammatory drug
fluoxetine	[no description available]	medium	3	0	(trifluoromethyl)benzenes; aromatic ether; secondary amino compound
foscarnet	[no description available]	medium	2	0	carboxylic acid; one-carbon compound; phosphonic acids	antiviral drug; geroprotector; HIV-1 reverse transcriptase inhibitor; sodium-dependent Pi-transporter inhibitor
glafenine	[no description available]	medium	2	0	aminoquinoline; carboxylic ester; glycol; organochlorine compound; secondary amino compound	inhibitor; non-narcotic analgesic; non-steroidal anti-inflammatory drug
glutethimide	[no description available]	medium	2	0	piperidines
hexachlorophene	[no description available]	medium	3	0	bridged diphenyl fungicide; polyphenol; trichlorobenzene	acaricide; antibacterial agent; antifungal agrochemical; antiseptic drug
hycanthone	[no description available]	medium	2	0	thioxanthenes	mutagen; schistosomicide drug
phenelzine	[no description available]	medium	2	0	primary amine
lidocaine	[no description available]	medium	4	0	benzenes; monocarboxylic acid amide; tertiary amino compound	anti-arrhythmia drug; drug allergen; environmental contaminant; local anaesthetic; xenobiotic
ifosfamide	[no description available]	medium	3	0	ifosfamides	alkylating agent; antineoplastic agent; environmental contaminant; immunosuppressive agent; xenobiotic
amrinone	[no description available]	medium	3	0	bipyridines	EC 3.1.4.* (phosphoric diester hydrolase) inhibitor
iproniazid	[no description available]	medium	3	0	carbohydrazide; pyridines
avapro	[no description available]	medium	3	0	azaspiro compound; biphenylyltetrazole	angiotensin receptor antagonist; antihypertensive agent; environmental contaminant; xenobiotic
isocarboxazid	[no description available]	medium	2	0	benzenes
ketotifen	[no description available]	medium	2	0	cyclic ketone; olefinic compound; organic heterotricyclic compound; organosulfur heterocyclic compound; piperidines; tertiary amino compound	anti-asthmatic drug; H1-receptor antagonist
labetalol	[no description available]	medium	2	0	benzamides; benzenes; phenols; primary carboxamide; salicylamides; secondary alcohol; secondary amino compound
losartan	[no description available]	medium	4	0	biphenylyltetrazole; imidazoles	angiotensin receptor antagonist; anti-arrhythmia drug; antihypertensive agent; endothelin receptor antagonist
mebendazole	[no description available]	medium	3	0	aromatic ketone; benzimidazoles; carbamate ester	antinematodal drug; microtubule-destabilising agent; tubulin modulator
mefenamic acid	[no description available]	medium	3	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
memantine	[no description available]	medium	5	0	adamantanes; primary aliphatic amine	antidepressant; antiparkinson drug; dopaminergic agent; neuroprotective agent; NMDA receptor antagonist
meprobamate	[no description available]	medium	2	0	organic molecular entity
metformin	[no description available]	medium	26	0	guanidines	environmental contaminant; geroprotector; hypoglycemic agent; xenobiotic
methapyrilene	[no description available]	medium	2	0	ethylenediamine derivative	anti-allergic agent; carcinogenic agent; H1-receptor antagonist; sedative
methylphenidate	[no description available]	medium	2	0	beta-amino acid ester; methyl ester; piperidines
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
mianserin	[no description available]	medium	2	0	dibenzoazepine	adrenergic uptake inhibitor; alpha-adrenergic antagonist; antidepressant; EC 3.4.21.26 (prolyl oligopeptidase) inhibitor; geroprotector; H1-receptor antagonist; histamine agonist; sedative; serotonergic antagonist
nalidixic acid	[no description available]	medium	4	0	1,8-naphthyridine derivative; monocarboxylic acid; quinolone antibiotic	antibacterial drug; antimicrobial agent; DNA synthesis inhibitor
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
nisoldipine	[no description available]	medium	3	0	C-nitro compound; dicarboxylic acids and O-substituted derivatives; diester; dihydropyridine; methyl ester
nomifensine	[no description available]	medium	4	0	isoquinolines	dopamine uptake inhibitor
oxibendazole	[no description available]	medium	2	0	benzimidazoles; carbamate ester
aminosalicylic acid	[no description available]	medium	2	0	aminobenzoic acid; phenols	antitubercular agent
pamidronate	[no description available]	medium	2	0	phosphonoacetic acid
4-dichlorobenzene	[no description available]	medium	2	0	dichlorobenzene	insecticide
pargyline	[no description available]	medium	2	0	aromatic amine
pemoline	[no description available]	medium	3	0	1,3-oxazoles	central nervous system stimulant
perhexiline	[no description available]	medium	2	0	piperidines	cardiovascular drug
probucol	[no description available]	medium	3	0	dithioketal; polyphenol	anti-inflammatory drug; anticholesteremic drug; antilipemic drug; antioxidant; cardiovascular drug
pyrimethamine	[no description available]	medium	2	0	aminopyrimidine; monochlorobenzenes	antimalarial; antiprotozoal drug; EC 1.5.1.3 (dihydrofolate reductase) inhibitor
sulfabenzamide	[no description available]	medium	2	0	benzenes; sulfonamide antibiotic; sulfonamide	antibacterial drug; antimicrobial drug
sulfamethizole	[no description available]	medium	2	0	sulfonamide antibiotic; sulfonamide; thiadiazoles	antiinfective agent; antimicrobial agent; drug allergen; EC 2.5.1.15 (dihydropteroate synthase) inhibitor
sulfanilamide	[no description available]	medium	2	0	substituted aniline; sulfonamide antibiotic; sulfonamide	antibacterial agent; drug allergen; EC 4.2.1.1 (carbonic anhydrase) inhibitor
sumatriptan	[no description available]	medium	3	0	sulfonamide; tryptamines	serotonergic agonist; vasoconstrictor agent
gatifloxacin	[no description available]	medium	3	0	N-arylpiperazine; organofluorine compound; quinolinemonocarboxylic acid; quinolone antibiotic; quinolone	antiinfective agent; antimicrobial agent; EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor
ticlopidine	[no description available]	medium	2	0	monochlorobenzenes; thienopyridine	anticoagulant; fibrin modulating drug; hematologic agent; P2Y12 receptor antagonist; platelet aggregation inhibitor
tolmetin	[no description available]	medium	2	0	aromatic ketone; monocarboxylic acid; pyrroles	EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor; non-steroidal anti-inflammatory drug
trifluoperazine	[no description available]	medium	9	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
trimethadione	[no description available]	medium	2	0	oxazolidinone	anticonvulsant; geroprotector
pirinixic acid	[no description available]	medium	3	0	aryl sulfide; organochlorine compound; pyrimidines
ici 204,219	[no description available]	medium	3	0	carbamate ester; indoles; N-sulfonylcarboxamide	anti-asthmatic agent; leukotriene antagonist
zolpidem	[no description available]	medium	2	0	imidazopyridine	central nervous system depressant; GABA agonist; sedative
zomepirac	[no description available]	medium	2	0	aromatic ketone; monocarboxylic acid; monochlorobenzenes; pyrroles	cardiovascular drug; non-steroidal anti-inflammatory drug
oxyphenonium	[no description available]	medium	2	0	acylcholine
cephaloridine	[no description available]	medium	2	0	beta-lactam antibiotic allergen; cephalosporin; semisynthetic derivative	antibacterial drug
sorbitol	[no description available]	high	9	0	glucitol	cathartic; Escherichia coli metabolite; food humectant; human metabolite; laxative; metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite; sweetening agent
floxuridine	[no description available]	medium	2	0	nucleoside analogue; organofluorine compound; pyrimidine 2'-deoxyribonucleoside	antimetabolite; antineoplastic agent; antiviral drug; radiosensitizing agent
2-acetylaminofluorene	[no description available]	medium	2	0	2-acetamidofluorenes	antimitotic; carcinogenic agent; epitope; mutagen
idoxuridine	[no description available]	medium	2	0	organoiodine compound; pyrimidine 2'-deoxyribonucleoside	antiviral drug; DNA synthesis inhibitor
pilocarpine	[no description available]	medium	2	0	pilocarpine	antiglaucoma drug
triiodothyronine	[no description available]	medium	9	0	2-halophenol; amino acid zwitterion; iodophenol; iodothyronine	human metabolite; mouse metabolite; thyroid hormone
isonicotinic acid	[no description available]	medium	1	0	pyridinemonocarboxylic acid	algal metabolite; human metabolite
carbon tetrachloride	[no description available]	medium	6	0	chlorocarbon; chloromethanes	hepatotoxic agent; refrigerant
acetylcholine chloride	[no description available]	medium	2	0	quaternary ammonium salt
dimethylnitrosamine	[no description available]	medium	2	0	nitrosamine	geroprotector; mutagen
lactose	[no description available]	medium	2	0	lactose
primaquine phosphate	[no description available]	medium	2	0
uracil mustard	[no description available]	medium	2	0	aminouracil; nitrogen mustard
chloroform	[no description available]	medium	4	0	chloromethanes; one-carbon compound	carcinogenic agent; central nervous system drug; inhalation anaesthetic; non-polar solvent; refrigerant
dimethylformamide	[no description available]	medium	1	0	formamides; volatile organic compound	geroprotector; hepatotoxic agent; polar aprotic solvent
norethindrone	[no description available]	medium	5	0	17beta-hydroxy steroid; 3-oxo-Delta(4) steroid; terminal acetylenic compound; tertiary alcohol	progestin; synthetic oral contraceptive
medroxyprogesterone acetate	[no description available]	medium	3	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	2	0	17beta-hydroxy steroid; aromatic ether; terminal acetylenic compound	prodrug; xenoestrogen
tromethamine	[no description available]	medium	6	0	primary amino compound; triol	buffer
trichloroethylene	[no description available]	medium	2	0	chloroethenes	inhalation anaesthetic; mouse metabolite
cyclizine	[no description available]	medium	2	0	N-alkylpiperazine	antiemetic; central nervous system depressant; cholinergic antagonist; H1-receptor antagonist; local anaesthetic
isosorbide dinitrate	[no description available]	medium	3	0	glucitol derivative; nitrate ester	nitric oxide donor; vasodilator agent
hexachlorobutadiene	[no description available]	medium	1	0	organochlorine compound
phenothiazine	[no description available]	medium	4	0	phenothiazine	ferroptosis inhibitor; plant metabolite; radical scavenger
2-bromophenol	[no description available]	medium	2	0	bromophenol	marine metabolite
3-dinitrobenzene	[no description available]	medium	1	0	dinitrobenzene	neurotoxin
4,4'-diaminodiphenylmethane	[no description available]	medium	2	0	aromatic amine	allergen; carcinogenic agent
phenylisothiocyanate	[no description available]	medium	2	0	isothiocyanate	allergen; reagent
4-bromophenol	[no description available]	medium	2	0	bromophenol	human urinary metabolite; human xenobiotic metabolite; marine metabolite; mouse metabolite; persistent organic pollutant; rat metabolite
2-bromoethylamine	[no description available]	medium	2	0
allyl alcohol	[no description available]	medium	2	0	primary allylic alcohol; propenol	antibacterial agent; fungicide; herbicide; insecticide; plant metabolite
bromobenzene	[no description available]	medium	2	0	bromoarene; bromobenzenes; volatile organic compound	hepatotoxic agent; mouse metabolite; non-polar solvent
mephobarbital	[no description available]	medium	2	0	barbiturates	anticonvulsant
di-n-pentyl phthalate	[no description available]	medium	2	0	diester; phthalate ester	plasticiser
cinchophen	[no description available]	medium	2	0	quinolines
phenazopyridine hydrochloride	[no description available]	medium	2	0	hydrochloride	carcinogenic agent; local anaesthetic; non-narcotic analgesic
tripelennamine hydrochloride	[no description available]	medium	2	0
ethynodiol diacetate	[no description available]	medium	2	0	steroid ester; terminal acetylenic compound	contraceptive drug; estrogen receptor modulator; synthetic oral contraceptive
hydrazine	[no description available]	medium	9	0	azane; hydrazines	EC 4.3.1.10 (serine-sulfate ammonia-lyase) inhibitor
pseudoephedrine hydrochloride	[no description available]	medium	2	0	hydrochloride	plant metabolite
procarbazine hydrochloride	[no description available]	medium	3	0	hydrochloride	antineoplastic agent
lithocholic acid	[no description available]	medium	2	0	bile acid; C24-steroid; monohydroxy-5beta-cholanic acid	geroprotector; human metabolite; mouse metabolite
1-naphthylisothiocyanate	[no description available]	medium	3	0	isothiocyanate	insecticide
isoxsuprine hydrochloride	[no description available]	medium	2	0	alkylbenzene
3-hydroxyacetanilide	[no description available]	medium	2	0	acetamides; phenols	non-narcotic analgesic
methoxyacetic acid	[no description available]	medium	2	0	ether; monocarboxylic acid	antineoplastic agent; apoptosis inducer; human xenobiotic metabolite; mutagen
pregnenolone carbonitrile	[no description available]	medium	2	0	aliphatic nitrile
ibufenac	[no description available]	medium	2	0	monocarboxylic acid	EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor; hepatotoxic agent; non-narcotic analgesic; non-steroidal anti-inflammatory drug
2,3,7,8-tetrachlorodibenzodioxine	[no description available]	medium	1	0	polychlorinated dibenzodioxine
paraquat	[no description available]	medium	72	0	organic cation	geroprotector; herbicide
stavudine	[no description available]	medium	3	0	dihydrofuran; nucleoside analogue; organic molecular entity	antimetabolite; antiviral agent; EC 2.7.7.49 (RNA-directed DNA polymerase) inhibitor
cladribine	[no description available]	medium	3	0	organochlorine compound; purine 2'-deoxyribonucleoside	antineoplastic agent; immunosuppressive agent
ethylene dimethanesulfonate	[no description available]	medium	2	0
beclomethasone dipropionate	[no description available]	medium	2	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
vidarabine	[no description available]	high	4	0	beta-D-arabinoside; purine nucleoside	antineoplastic agent; bacterial metabolite; nucleoside antibiotic
carbendazim	[no description available]	medium	3	0	benzimidazole fungicide; benzimidazoles; benzimidazolylcarbamate fungicide; carbamate ester	antifungal agrochemical; antinematodal drug; metabolite; microtubule-destabilising agent
ethionine	[no description available]	medium	2	0	S-ethylhomocysteine	antimetabolite; carcinogenic agent
ursodeoxycholic acid	[no description available]	medium	4	0	bile acid; C24-steroid; dihydroxy-5beta-cholanic acid	human metabolite; mouse metabolite
butylated hydroxytoluene	[no description available]	medium	2	0	phenols	antioxidant; ferroptosis inhibitor; food additive; geroprotector
moricizine hydrochloride	[no description available]	medium	2	0	hydrochloride	anti-arrhythmia drug
pirprofen	[no description available]	medium	2	0	pyrroline
serentil	[no description available]	medium	2	0	organosulfonate salt	dopaminergic antagonist; first generation antipsychotic
ticrynafen	[no description available]	medium	2	0	aromatic ether; aromatic ketone; dichlorobenzene; monocarboxylic acid; thiophenes	antihypertensive agent; hepatotoxic agent; loop diuretic
bezafibrate	[no description available]	medium	2	0	aromatic ether; monocarboxylic acid amide; monocarboxylic acid; monochlorobenzenes	antilipemic drug; environmental contaminant; geroprotector; xenobiotic
sq-11725	[no description available]	medium	2	0
nonachlazine	[no description available]	medium	1	0
benoxaprofen	[no description available]	medium	2	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	3	0	cyclopropanecarboxylate ester; cyclopropanes	agrochemical; ectoparasiticide; pyrethroid ester acaricide; pyrethroid ester insecticide; scabicide
epirubicin	[no description available]	high	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
indacrinone	[no description available]	medium	2	0
butoconazole nitrate	[no description available]	medium	2	0	aryl sulfide; conazole antifungal drug; imidazole antifungal drug; imidazoles; organic nitrate salt
fialuridine	[no description available]	medium	2	0
mitoxantrone hydrochloride	[no description available]	medium	2	0	hydrochloride	antineoplastic agent
cefotetan	[no description available]	medium	3	0
bambuterol	[no description available]	medium	2	0	carbamate ester; phenylethanolamines	anti-asthmatic drug; beta-adrenergic agonist; bronchodilator agent; EC 3.1.1.7 (acetylcholinesterase) inhibitor; prodrug; sympathomimetic agent; tocolytic agent
quinapril	[no description available]	medium	3	0	dicarboxylic acid monoester; ethyl ester; isoquinolines; tertiary carboxamide	antihypertensive agent; EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor; prodrug
alpidem	[no description available]	medium	2	0	imidazoles
temafloxacin	[no description available]	medium	2	0	amino acid; monocarboxylic acid; N-arylpiperazine; organofluorine compound; quinolone antibiotic; quinolone; secondary amino compound; tertiary amino compound
clinafloxacin	[no description available]	medium	2	0	quinolines
zileuton	[no description available]	medium	5	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
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
lamivudine	[no description available]	medium	3	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	3	0	biphenylyltetrazole; monocarboxylic acid amide; monocarboxylic acid	angiotensin receptor antagonist; antihypertensive agent; environmental contaminant; xenobiotic
tasosartan	[no description available]	medium	2	0	biphenyls
saquinavir monomethanesulfonate	[no description available]	medium	2	0	organic molecular entity
allyl formate	[no description available]	medium	2	0
desferrioxamine b mesylate	[no description available]	medium	2	0	methanesulfonate salt	antidote; ferroptosis inhibitor; iron chelator
trovafloxacin	[no description available]	medium	2	0
ciprofloxacin hydrochloride anhydrous	[no description available]	medium	2	0	hydrochloride	antibacterial drug; antiinfective agent; EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor; topoisomerase IV inhibitor
iopamidol	[no description available]	medium	2	0	benzenedicarboxamide; organoiodine compound; pentol	environmental contaminant; radioopaque medium; xenobiotic
sulconazole, mononitrate, (+-)-isomer	[no description available]	medium	2	0	conazole antifungal drug; imidazole antifungal drug; organic nitrate salt
telmisartan	[no description available]	medium	4	0	benzimidazoles; biphenyls; carboxybiphenyl	angiotensin receptor antagonist; antihypertensive agent; EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor; environmental contaminant; xenobiotic
trimethobenzamide monohydrochloride	[no description available]	medium	2	0
econazole nitrate	[no description available]	medium	2	0
flunoxaprofen	[no description available]	medium	2	0	1,3-benzoxazoles; monocarboxylic acid; organofluorine compound	antirheumatic drug; hepatotoxic agent; non-steroidal anti-inflammatory drug; protein kinase C agonist
tianeptine	[no description available]	medium	2	0	dibenzothiazepine; monocarboxylic acid; organochlorine compound
grepafloxacin	[no description available]	medium	2	0	fluoroquinolone antibiotic; quinolines; quinolone antibiotic
2-naphthylisothiocyanate	[no description available]	medium	2	0
orphenadrine citrate	[no description available]	medium	2	0	citrate salt	H1-receptor antagonist; muscarinic antagonist; muscle relaxant; NMDA receptor antagonist; parasympatholytic
n-(3,5-dichlorophenyl)succinimide	[no description available]	medium	2	0	pyrrolidines
1-cyano-2-hydroxy-3-butene	[no description available]	medium	1	0	secondary alcohol
bosentan anhydrous	[no description available]	medium	3	0	primary alcohol; pyrimidines; sulfonamide	antihypertensive agent; endothelin receptor antagonist
dilevalol	[no description available]	medium	1	0	2-hydroxy-5-{1-hydroxy-2-[(4-phenylbutan-2-yl)amino]ethyl}benzamide
levofloxacin	[no description available]	medium	3	0	9-fluoro-3-methyl-10-(4-methylpiperazin-1-yl)-7-oxo-2,3-dihydro-7H-[1,4]oxazino[2,3,4-ij]quinoline-6-carboxylic acid; fluoroquinolone antibiotic; quinolone antibiotic	antibacterial drug; DNA synthesis inhibitor; EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor; topoisomerase IV inhibitor
biotin	[no description available]	medium	3	0	biotins; vitamin B7	coenzyme; cofactor; Escherichia coli metabolite; fundamental metabolite; human metabolite; mouse metabolite; nutraceutical; prosthetic group; Saccharomyces cerevisiae metabolite
aflatoxin b1	[no description available]	medium	4	0	aflatoxin; aromatic ether; aromatic ketone	carcinogenic agent; human metabolite
troleandomycin	[no description available]	medium	3	0	acetate ester; epoxide; macrolide antibiotic; monosaccharide derivative; polyketide; semisynthetic derivative	EC 1.14.13.97 (taurochenodeoxycholate 6alpha-hydroxylase) inhibitor; xenobiotic
fludrocortisone acetate	[no description available]	medium	2	0	11beta-hydroxy steroid; 17alpha-hydroxy steroid; 20-oxo steroid; 3-oxo-Delta(4) steroid; acetate ester; fluorinated steroid; mineralocorticoid; tertiary alpha-hydroxy ketone
acivicin	[no description available]	medium	4	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
glucosamine	[no description available]	medium	3	0	D-glucosamine	Escherichia coli metabolite; geroprotector; mouse metabolite
puromycin	[no description available]	high	5	0	puromycins	antiinfective agent; antimicrobial agent; antineoplastic agent; EC 3.4.11.14 (cytosol alanyl aminopeptidase) inhibitor; EC 3.4.14.2 (dipeptidyl-peptidase II) inhibitor; nucleoside antibiotic; protein synthesis inhibitor
(+)-limonene	[no description available]	medium	2	0	limonene	plant metabolite
griseofulvin	[no description available]	medium	5	0	1-benzofurans; antibiotic antifungal drug; benzofuran antifungal drug; organochlorine compound; oxaspiro compound	antibacterial agent; Penicillium metabolite
cefoxitin	[no description available]	medium	2	0	beta-lactam antibiotic allergen; cephalosporin; cephamycin; semisynthetic derivative	antibacterial drug
moxalactam disodium	[no description available]	medium	2	0
abacavir	[no description available]	medium	2	0	2,6-diaminopurines	antiviral drug; drug allergen; HIV-1 reverse transcriptase inhibitor
mometasone furoate	[no description available]	medium	2	0	11beta-hydroxy steroid; 2-furoate ester; 20-oxo steroid; 3-oxo-Delta(1),Delta(4)-steroid; organochlorine compound; steroid ester	anti-allergic agent; anti-inflammatory drug
erythromycin estolate	[no description available]	medium	2	0	aminoglycoside sulfate salt; erythromycin derivative	enzyme inhibitor
kanamycin sulfate	[no description available]	medium	2	0	aminoglycoside sulfate salt	antibacterial drug; geroprotector
chloramphenicol palmitate	[no description available]	medium	2	0	hexadecanoate ester
calcium pantothenate	[no description available]	medium	2	0	polymer
doxorubicin hydrochloride	[no description available]	medium	3	0	anthracycline
maleic acid	[no description available]	medium	2	0	butenedioic acid	algal metabolite; mouse metabolite; plant metabolite
cyanoginosin lr	[no description available]	medium	2	0	microcystin	bacterial metabolite; EC 3.1.3.16 (phosphoprotein phosphatase) inhibitor; environmental contaminant; xenobiotic
drf 2725	[no description available]	medium	2	0
dactinomycin	[no description available]	medium	17	0	actinomycin	mutagen
azaserine	[no description available]	high	4	0	carboxylic ester; diazo compound; L-serine derivative; non-proteinogenic L-alpha-amino acid	antifungal agent; antimetabolite; antimicrobial agent; antineoplastic agent; glutamine antagonist; immunosuppressive agent; metabolite
sodium bicarbonate	[no description available]	medium	1	0	one-carbon compound; organic sodium salt	antacid; food anticaking agent
arsenic trioxide	[no description available]	medium	2	0	arsenic oxide	antineoplastic agent; insecticide
idarubicin hydrochloride	[no description available]	medium	2	0	anthracycline
carbenoxolone sodium	[no description available]	medium	4	0	triterpenoid
mercaptopurine	[no description available]	medium	3	0	aryl thiol; purines; thiocarbonyl compound	anticoronaviral agent; antimetabolite; antineoplastic agent
thiothixene	[no description available]	medium	2	0	N-methylpiperazine	anticoronaviral agent
methimazole	[no description available]	medium	4	0	1,3-dihydroimidazole-2-thiones	antithyroid drug
thioguanine anhydrous	[no description available]	medium	2	0	2-aminopurines	anticoronaviral agent; antimetabolite; antineoplastic agent
thioacetamide	[no description available]	medium	2	0	thiocarboxamide	hepatotoxic agent
streptozocin	[no description available]	medium	2	0
hmr 3647	[no description available]	medium	3	0
tolcapone	[no description available]	medium	3	0	2-nitrophenols; benzophenones; catechols	antiparkinson drug; EC 2.1.1.6 (catechol O-methyltransferase) inhibitor
retinol palmitate	[no description available]	medium	2	0	all-trans-retinyl ester; retinyl palmitate	antioxidant; Escherichia coli metabolite; human xenobiotic metabolite
vitamin d 2	[no description available]	medium	4	0	hydroxy seco-steroid; seco-ergostane; vitamin D	bone density conservation agent; nutraceutical; plant metabolite; rodenticide
amphotericin b	[no description available]	medium	7	0	antibiotic antifungal drug; macrolide antibiotic; polyene antibiotic	antiamoebic agent; antiprotozoal drug; bacterial metabolite
eprosartan	[no description available]	medium	3	0	dicarboxylic acid; imidazoles; thiophenes	angiotensin receptor antagonist; antihypertensive agent; environmental contaminant; xenobiotic
montelukast	[no description available]	medium	4	0	aliphatic sulfide; monocarboxylic acid; quinolines	anti-arrhythmia drug; anti-asthmatic drug; leukotriene antagonist
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
estradiol-17 beta-glucuronide	[no description available]	medium	2	0	3-hydroxy steroid; steroid glucosiduronic acid
acitretin	[no description available]	medium	3	0	acitretin; alpha,beta-unsaturated monocarboxylic acid; retinoid	keratolytic drug
ly 163892	[no description available]	medium	2	0	carbacephem; zwitterion	antibacterial drug; antimicrobial agent
nalmefene	[no description available]	medium	3	0	morphinane alkaloid
furazolidone	[no description available]	medium	2	0
fluvoxamine	[no description available]	medium	2	0	(trifluoromethyl)benzenes; 5-methoxyvalerophenone O-(2-aminoethyl)oxime	antidepressant; anxiolytic drug; serotonin uptake inhibitor
octylmethoxycinnamate	[no description available]	medium	2	0	cinnamate ester
naltrexone	[no description available]	medium	2	0	cyclopropanes; morphinane-like compound; organic heteropentacyclic compound	antidote to opioid poisoning; central nervous system depressant; environmental contaminant; mu-opioid receptor antagonist; xenobiotic
benazepril	[no description available]	medium	2	0	benzazepine; dicarboxylic acid monoester; ethyl ester; lactam	EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor; prodrug
trientine hydrochloride	[no description available]	medium	2	0
ceftazidime	[no description available]	medium	2	0	cephalosporin; oxime O-ether	antibacterial drug; drug allergen; EC 2.4.1.129 (peptidoglycan glycosyltransferase) inhibitor
aztreonam	[no description available]	medium	2	0	beta-lactam antibiotic allergen; monobactam	antibacterial drug; drug allergen; EC 2.4.1.129 (peptidoglycan glycosyltransferase) inhibitor
enclomiphene citrate	[no description available]	medium	1	0
diphenoxylate hydrochloride	[no description available]	medium	2	0	hydrochloride	antidiarrhoeal drug
ergonovine maleate	[no description available]	medium	2	0	maleate salt	diagnostic agent; oxytocic
ursodoxicoltaurine	[no description available]	medium	2	0	bile acid taurine conjugate	anti-inflammatory agent; apoptosis inhibitor; bone density conservation agent; cardioprotective agent; human metabolite; neuroprotective agent
molindone hydrochloride	[no description available]	medium	2	0	indoles
baci-im	[no description available]	medium	2	0	homodetic cyclic peptide; polypeptide; zwitterion	antibacterial agent; antimicrobial agent
cytidine diphosphate choline	[no description available]	medium	2	0	nucleotide-(amino alcohol)s; phosphocholines	human metabolite; mouse metabolite; neuroprotective agent; psychotropic drug; Saccharomyces cerevisiae metabolite
clindamycin hydrochloride	[no description available]	medium	2	0	S-glycosyl compound
cefotiam hydrochloride	[no description available]	medium	2	0
potassium aminobenzoate	[no description available]	medium	2	0
methicillin sodium	[no description available]	medium	2	0	organic sodium salt
nafcillin sodium	[no description available]	medium	2	0	organic sodium salt
penicillin g sodium	[no description available]	medium	2	0	organic sodium salt
cefamandole nafate	[no description available]	medium	2	0	organic sodium salt	antibacterial drug
dicloxacillin sodium	[no description available]	medium	2	0	hydrate
azlocillin sodium	[no description available]	medium	3	0	organic sodium salt
ascorbic acid	[no description available]	medium	78	0	ascorbic acid; vitamin C	coenzyme; cofactor; flour treatment agent; food antioxidant; food colour retention agent; geroprotector; plant metabolite; skin lightening agent
novobiocin	[no description available]	medium	2	0	carbamate ester; ether; hexoside; hydroxycoumarin; monocarboxylic acid amide; monosaccharide derivative; phenols	antibacterial agent; antimicrobial agent; EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor; Escherichia coli metabolite; hepatoprotective agent
acenocoumarol	[no description available]	medium	2	0	C-nitro compound; hydroxycoumarin; methyl ketone	anticoagulant; EC 1.6.5.2 [NAD(P)H dehydrogenase (quinone)] inhibitor
isoxicam	[no description available]	medium	3	0	benzothiazine; isoxazoles; monocarboxylic acid amide	antirheumatic drug; non-steroidal anti-inflammatory drug
chlortetracycline hydrochloride	[no description available]	medium	2	0
methacycline monohydrochloride	[no description available]	medium	2	0
folic acid	[no description available]	medium	5	0	folic acids; N-acyl-amino acid	human metabolite; mouse metabolite; nutrient
dacarbazine	[no description available]	medium	3	0	dacarbazine
didanosine	[no description available]	medium	4	0	purine 2',3'-dideoxyribonucleoside	antimetabolite; antiviral drug; EC 2.4.2.1 (purine-nucleoside phosphorylase) inhibitor; geroprotector; HIV-1 reverse transcriptase inhibitor
citrovorum factor	[no description available]	medium	3	0	tetrahydrofolic acid
rifabutin	[no description available]	medium	3	0
4-aminophenol	[no description available]	medium	2	0	aminophenol	allergen; metabolite
clomiphene	[no description available]	medium	2	0	tertiary amine	estrogen antagonist; estrogen receptor modulator
sulfobromophthalein	[no description available]	medium	5	0	2-benzofurans; organobromine compound; organosulfonic acid; phenols	dye
telenzepine	[no description available]	medium	1	0	benzodiazepine
temozolomide	[no description available]	medium	2	0	imidazotetrazine; monocarboxylic acid amide; triazene derivative	alkylating agent; antineoplastic agent; prodrug
diquat	[no description available]	medium	3	0	organic cation	defoliant; herbicide
n-pentanoic acid	[no description available]	medium	3	0	short-chain fatty acid; straight-chain saturated fatty acid	plant metabolite
tolrestat	[no description available]	medium	1	0	naphthalenes	EC 1.1.1.21 (aldehyde reductase) inhibitor
cox 189	[no description available]	medium	2	0	amino acid; monocarboxylic acid; organochlorine compound; organofluorine compound; secondary amino compound	cyclooxygenase 2 inhibitor; non-steroidal anti-inflammatory drug
olmesartan	[no description available]	medium	1	0	biphenylyltetrazole	angiotensin receptor antagonist; antihypertensive agent
lapatinib	[no description available]	high	2	0	furans; organochlorine compound; organofluorine compound; quinazolines	antineoplastic agent; tyrosine kinase inhibitor
topiramate	[no description available]	medium	2	0	cyclic ketal; ketohexose derivative; sulfamate ester	anticonvulsant; sodium channel blocker
indinavir sulfate	[no description available]	medium	1	0	azaheterocycle sulfate salt
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
ampicillin sodium	[no description available]	medium	1	0	organic sodium salt
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
sudoxicam	[no description available]	medium	1	0
canadine, (s)-isomer	[no description available]	medium	1	0	an (S)-7,8,13,14-tetrahydroprotoberberine; canadine	plant metabolite
parasorbic acid	[no description available]	medium	1	0	2-pyranones
skimmin	[no description available]	medium	1	0	coumarins; glycoside
apigetrin	[no description available]	medium	1	0	beta-D-glucoside; dihydroxyflavone; glycosyloxyflavone; monosaccharide derivative	antibacterial agent; metabolite; non-steroidal anti-inflammatory drug
dihydroconiferyl alcohol glucoside	[no description available]	medium	1	0	beta-D-glucoside; monomethoxybenzene; monosaccharide derivative; primary alcohol	plant metabolite
indoleacetic acid	[no description available]	medium	1	0	indole-3-acetic acids; monocarboxylic acid	auxin; human metabolite; mouse metabolite; plant hormone; plant metabolite
epibatidine	[no description available]	medium	1	0	alkaloid
aristolochic acid i	[no description available]	medium	2	0	aristolochic acids; aromatic ether; C-nitro compound; cyclic acetal; monocarboxylic acid; organic heterotetracyclic compound	carcinogenic agent; metabolite; mutagen; nephrotoxin; toxin
5-methoxypsoralen	[no description available]	medium	1	0	5-methoxyfurocoumarin; organic heterotricyclic compound; psoralens	hepatoprotective agent; plant metabolite
2,3-dimethoxy-5-methyl-6-decyl-1,4-benzoquinone	[no description available]	medium	7	0	1,4-benzoquinones	cofactor
3,3'-diindolylmethane	[no description available]	medium	1	0	indoles	antineoplastic agent; P450 inhibitor
embelin	[no description available]	medium	1	0	dihydroxy-1,4-benzoquinones	antimicrobial agent; antineoplastic agent; hepatitis C protease inhibitor; plant metabolite
gossypol	[no description available]	medium	2	0
hypericin	[no description available]	medium	1	0
indole-3-carbinol	[no description available]	medium	3	0	indolyl alcohol	antineoplastic agent; plant metabolite
kinetin	[no description available]	medium	1	0	6-aminopurines; furans	cytokinin; geroprotector
lavendustin a	[no description available]	medium	2	0	aromatic amine
lavendustin b	[no description available]	medium	1	0
methoxsalen	[no description available]	high	2	0	aromatic ether; psoralens	antineoplastic agent; cross-linking reagent; dermatologic drug; photosensitizing agent; plant metabolite
myristicin	[no description available]	medium	1	0	organic molecular entity	metabolite
6,7-dimethoxy-3-(4-methoxy-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)-3H-isobenzofuran-1-one	[no description available]	medium	1	0	isoquinolines
sanguinarine	[no description available]	medium	2	0	alkaloid antibiotic; benzophenanthridine alkaloid; botanical anti-fungal agent
streptonigrin	[no description available]	medium	1	0	pyridines; quinolone	antimicrobial agent; antineoplastic agent
tetrahydropapaverine	[no description available]	medium	1	0	aromatic ether; benzylisoquinoline alkaloid; benzyltetrahydroisoquinoline; polyether; secondary amino compound
trioxsalen	[no description available]	medium	1	0	psoralens	dermatologic drug; photosensitizing agent
mitomycin	[no description available]	high	4	0	mitomycin	alkylating agent; antineoplastic agent
kanamycin a	[no description available]	medium	3	0	kanamycins	bacterial metabolite
veratramine	[no description available]	medium	1	0	piperidine alkaloid
phlorhizin	[no description available]	medium	4	0	aryl beta-D-glucoside; dihydrochalcones; monosaccharide derivative	antioxidant; plant metabolite
gliotoxin	[no description available]	medium	1	0	dipeptide; organic disulfide; organic heterotetracyclic compound; pyrazinoindole	antifungal agent; EC 2.5.1.58 (protein farnesyltransferase) inhibitor; immunosuppressive agent; mycotoxin; proteasome inhibitor
tubercidin	[no description available]	medium	1	0	antibiotic antifungal agent; N-glycosylpyrrolopyrimidine; ribonucleoside	antimetabolite; antineoplastic agent; bacterial metabolite
veratridine	[no description available]	medium	1	0	steroid	sodium channel modulator
gibberellic acid	[no description available]	medium	1	0	C19-gibberellin; gibberellin monocarboxylic acid; lactone; organic heteropentacyclic compound	mouse metabolite; plant metabolite
visnagin	[no description available]	medium	1	0	aromatic ether; furanochromone; polyketide	anti-inflammatory agent; antihypertensive agent; EC 1.1.1.37 (malate dehydrogenase) inhibitor; phytotoxin; plant metabolite; vasodilator agent
skimmianine	[no description available]	medium	1	0	alkaloid antibiotic; organic heterotricyclic compound; organonitrogen heterocyclic compound; oxacycle
syrosingopine	[no description available]	medium	1	0	yohimban alkaloid
gramine	[no description available]	medium	1	0	aminoalkylindole; indole alkaloid; tertiary amino compound	antibacterial agent; antiviral agent; plant metabolite; serotonergic antagonist
methylergonovine	[no description available]	medium	1	0	ergoline alkaloid
2,2'-methylenebis(4-methyl-6-tert-butylphenol)	[no description available]	medium	1	0	diarylmethane
indolebutyric acid	[no description available]	medium	1	0	indol-3-yl carboxylic acid	auxin; plant hormone; plant metabolite
shikimic acid	[no description available]	medium	1	0	alpha,beta-unsaturated monocarboxylic acid; cyclohexenecarboxylic acid; hydroxy monocarboxylic acid	Escherichia coli metabolite; plant metabolite; Saccharomyces cerevisiae metabolite
jervine	[no description available]	medium	1	0	piperidines
glycyrrhetinic acid	[no description available]	medium	1	0	cyclic terpene ketone; hydroxy monocarboxylic acid; pentacyclic triterpenoid	immunomodulator; plant metabolite
indirubin	[no description available]	medium	1	0
cepharanthine	[no description available]	medium	1	0	bisbenzylisoquinoline alkaloid; isoquinolines
aloe emodin	[no description available]	medium	1	0	aromatic primary alcohol; dihydroxyanthraquinone	antineoplastic agent; plant metabolite
osthol	[no description available]	medium	1	0	botanical anti-fungal agent; coumarins	metabolite
cytisine	[no description available]	medium	2	0	alkaloid; bridged compound; lactam; organic heterotricyclic compound; secondary amino compound	nicotinic acetylcholine receptor agonist; phytotoxin; plant metabolite
thymoquinone	[no description available]	medium	3	0	1,4-benzoquinones	adjuvant; anti-inflammatory agent; antidepressant; antineoplastic agent; antioxidant; cardioprotective agent; plant metabolite
oleanolic acid	[no description available]	medium	3	0	hydroxy monocarboxylic acid; pentacyclic triterpenoid	plant metabolite
hesperidin	[no description available]	medium	3	0	3'-hydroxyflavanones; 4'-methoxyflavanones; dihydroxyflavanone; disaccharide derivative; flavanone glycoside; monomethoxyflavanone; rutinoside	mutagen
azomycin	[no description available]	medium	1	0	C-nitro compound; imidazoles	antitubercular agent
vincamine	[no description available]	high	1	0	alkaloid ester; hemiaminal; methyl ester; organic heteropentacyclic compound; vinca alkaloid	antihypertensive agent; metabolite; vasodilator agent
ecdysone	[no description available]	medium	1	0	14alpha-hydroxy steroid; 22-hydroxy steroid; 25-hydroxy steroid; 2beta-hydroxy steroid; 3beta-sterol; 6-oxo steroid; ecdysteroid	prohormone
n-deacetyl-n-formylcolchicine	[no description available]	medium	1	0	cyclic ketone
zingerone	[no description available]	medium	1	0	methyl ketone; monomethoxybenzene; phenols	anti-inflammatory agent; antiemetic; antioxidant; flavouring agent; fragrance; plant metabolite; radiation protective agent
phorbol 12,13-dibutyrate	[no description available]	medium	2	0	butyrate ester; phorbol ester; tertiary alpha-hydroxy ketone
castanospermine	[no description available]	medium	1	0	indolizidine alkaloid	anti-HIV-1 agent; anti-inflammatory agent; EC 3.2.1.* (glycosidase) inhibitor; metabolite
daunorubicin hydrochloride	[no description available]	medium	1	0	anthracycline
ursolic acid	[no description available]	medium	4	0	hydroxy monocarboxylic acid; pentacyclic triterpenoid	geroprotector; plant metabolite
norharman	[no description available]	medium	1	0	beta-carbolines; mancude organic heterotricyclic parent	fungal metabolite; marine metabolite
betulinic acid	[no description available]	high	2	0	hydroxy monocarboxylic acid; pentacyclic triterpenoid	anti-HIV agent; anti-inflammatory agent; antimalarial; antineoplastic agent; EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor; plant metabolite
epigallocatechin gallate	[no description available]	medium	5	0	flavans; gallate ester; polyphenol	antineoplastic agent; antioxidant; apoptosis inducer; geroprotector; Hsp90 inhibitor; neuroprotective agent; plant metabolite
baccatin iii	[no description available]	medium	1	0	acetate ester; benzoate ester; tetracyclic diterpenoid	plant metabolite
taleranol	[no description available]	medium	1	0	macrolide
narasin	[no description available]	medium	1	0	diterpene glycoside
quassin	[no description available]	medium	1	0	triterpenoid
tomatidine	[no description available]	medium	1	0	3beta-hydroxy steroid; azaspiro compound; oxaspiro compound
aloxistatin	[no description available]	medium	1	0	epoxide; ethyl ester; L-leucine derivative; monocarboxylic acid amide	anticoronaviral agent; cathepsin B inhibitor
bergenin	[no description available]	medium	1	0	trihydroxybenzoic acid	metabolite
isoscopoletin	[no description available]	medium	1	0	aromatic ether; hydroxycoumarin	plant metabolite
vinburnine	[no description available]	medium	1	0	alkaloid
epicatechin	[no description available]	medium	1	0	catechin; polyphenol	antioxidant
hesperetin	[no description available]	medium	1	0	3'-hydroxyflavanones; 4'-methoxyflavanones; monomethoxyflavanone; trihydroxyflavanone	antineoplastic agent; antioxidant; plant metabolite
magnolol	[no description available]	medium	1	0	biphenyls
honokiol	[no description available]	medium	2	0	biphenyls
picropodophyllin	[no description available]	medium	1	0	furonaphthodioxole; lignan; organic heterotetracyclic compound	antineoplastic agent; insulin-like growth factor receptor 1 antagonist; plant metabolite; tyrosine kinase inhibitor
tetrandrine	[no description available]	medium	1	0	bisbenzylisoquinoline alkaloid; isoquinolines
dehydrocostus lactone	[no description available]	medium	1	0	gamma-lactone; guaiane sesquiterpenoid; organic heterotricyclic compound; sesquiterpene lactone	antimycobacterial drug; antineoplastic agent; apoptosis inducer; cyclooxygenase 2 inhibitor; metabolite; trypanocidal drug
madecassic acid	[no description available]	medium	1	0	monocarboxylic acid; pentacyclic triterpenoid; tetrol	antioxidant; plant metabolite
panaxadiol	[no description available]	medium	1	0	triterpenoid saponin
tryptanthrine	[no description available]	medium	1	0	alkaloid antibiotic; organic heterotetracyclic compound; organonitrogen heterocyclic compound
homoeriodictyol	[no description available]	medium	1	0	3'-methoxyflavanones; 4'-hydroxyflavanones; monomethoxyflavanone; trihydroxyflavanone	flavouring agent; metabolite
4-hydroxyindole	[no description available]	medium	1	0	hydroxyindoles; phenols
eriocitrin	[no description available]	medium	1	0	3'-hydroxyflavanones; 4'-hydroxyflavanones; disaccharide derivative; flavanone glycoside; rutinoside; trihydroxyflavanone	antioxidant
7,8-dihydromethysticin	[no description available]	medium	1	0	2-pyranones; aromatic ether
aucubin	[no description available]	medium	1	0	organic molecular entity	metabolite
lupinine	[no description available]	medium	1	0	quinolizidine alkaloid
matrine	[no description available]	medium	1	0	alkaloid
friedelin	[no description available]	medium	1	0	cyclic terpene ketone; pentacyclic triterpenoid	anti-inflammatory drug; antipyretic; non-narcotic analgesic; plant metabolite
catalpol	[no description available]	medium	1	0	organic molecular entity	metabolite
quinine hydrochloride	[no description available]	medium	1	0
sarsasapogenin	[no description available]	medium	1	0	sapogenin
prunin protein, prunus	[no description available]	medium	1	0	(2S)-flavan-4-one; 4'-hydroxyflavanones; dihydroxyflavanone; flavanone 7-O-beta-D-glucoside; monosaccharide derivative	antibacterial agent; antilipemic drug; hypoglycemic agent; metabolite
podocarpic acid	[no description available]	medium	1	0	abietane diterpenoid
harmol hydrochloride	[no description available]	medium	1	0
5-Methoxyflavone	[no description available]	medium	1	0	ether; flavonoids
10-hydroxycamptothecin	[no description available]	medium	1	0	pyranoindolizinoquinoline
corydaline	[no description available]	medium	1	0	isoquinoline alkaloid; isoquinolines
demissidine	[no description available]	medium	1	0	alkaloid; organic heteropolycyclic compound; steroid
cinchonidine	[no description available]	medium	1	0	(8xi)-cinchonan-9-ol; cinchona alkaloid	metabolite
propidium iodide	[no description available]	medium	1	0	organic iodide salt
tryptoline	[no description available]	medium	1	0	beta-carbolines
daidzin	[no description available]	medium	1	0	7-hydroxyisoflavones 7-O-beta-D-glucoside; hydroxyisoflavone; monosaccharide derivative	plant metabolite
cafestol	[no description available]	high	1	0	diterpenoid; furans; organic heteropentacyclic compound; primary alcohol; tertiary alcohol	angiogenesis inhibitor; anti-inflammatory agent; antineoplastic agent; antioxidant; apoptosis inducer; hypoglycemic agent; plant metabolite
homoorientin	[no description available]	medium	1	0	flavone C-glycoside; tetrahydroxyflavone	antineoplastic agent; radical scavenger
asiatic acid	[no description available]	medium	3	0	monocarboxylic acid; pentacyclic triterpenoid; triol	angiogenesis modulating agent; metabolite
angustmycin a	[no description available]	medium	1	0	6-aminopurines
razadyne	[no description available]	medium	1	0
phytosphingosine	[no description available]	medium	1	0	amino alcohol; sphingoid; triol	mouse metabolite; Saccharomyces cerevisiae metabolite
tetradecanoylphorbol acetate	[no description available]	medium	1	0
celastrol	[no description available]	medium	4	0	monocarboxylic acid; pentacyclic triterpenoid	anti-inflammatory drug; antineoplastic agent; antioxidant; EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor; Hsp90 inhibitor; metabolite
4'-demethylepipodophyllotoxin	[no description available]	medium	1	0	furonaphthodioxole; organic heterotetracyclic compound; phenols	antineoplastic agent
n-(n-(3-carboxyoxirane-2-carbonyl)leucyl)isoamylamine	[no description available]	medium	1	0	leucine derivative
sinensetin	[no description available]	medium	1	0	pentamethoxyflavone	plant metabolite
harmalol hydrochloride	[no description available]	medium	1	0
hyoscyamine	[no description available]	medium	1	0	tropane alkaloid
schizandrin a	[no description available]	medium	1	0
schizandrin b	[no description available]	medium	1	0	aromatic ether; cyclic acetal; organic heterotetracyclic compound; oxacycle; tannin	anti-asthmatic agent; anti-inflammatory agent; antilipemic drug; antioxidant; apoptosis inhibitor; hepatoprotective agent; nephroprotective agent; neuroprotective agent; plant metabolite
cryptotanshinone	[no description available]	medium	1	0	abietane diterpenoid	anticoronaviral agent
isosakuranetin	[no description available]	medium	1	0	(2S)-flavan-4-one; 4'-methoxyflavanones; dihydroxyflavanone; monomethoxyflavanone	plant metabolite
isovitexin	[no description available]	medium	1	0	C-glycosyl compound; trihydroxyflavone	EC 3.2.1.20 (alpha-glucosidase) inhibitor; metabolite
sclareol	[no description available]	medium	1	0	labdane diterpenoid	antifungal agent; antimicrobial agent; apoptosis inducer; fragrance; plant metabolite
tanshinone ii a	[no description available]	medium	1	0	abietane diterpenoid
leucodin	[no description available]	medium	1	0	sesquiterpene lactone
maduramicin	[no description available]	medium	1	0
santonin	[no description available]	medium	1	0	botanical anti-fungal agent; santonin	plant metabolite
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
anisomycin	[no description available]	high	2	0	monohydroxypyrrolidine; organonitrogen heterocyclic antibiotic	anticoronaviral agent; antimicrobial agent; antineoplastic agent; antiparasitic agent; bacterial metabolite; DNA synthesis inhibitor; protein synthesis inhibitor
acetylstrophanthidin	[no description available]	medium	1	0	acetate ester	anti-arrhythmia drug
ketopinic acid	[no description available]	medium	1	0
gitoxigenin	[no description available]	medium	1	0	14beta-hydroxy steroid; 16beta-hydroxy steroid; 3beta-hydroxy steroid
graveoline	[no description available]	medium	1	0	quinolines
4-oxy-6-(4-oxybezoyloxy)dauc-8,9-en	[no description available]	medium	1	0
mimosine	[no description available]	medium	1	0	4-pyridones; amino acid zwitterion; non-proteinogenic L-alpha-amino acid	EC 1.14.18.1 (tyrosinase) inhibitor; plant metabolite
arbutin	[no description available]	medium	2	0	beta-D-glucoside; monosaccharide derivative	Escherichia coli metabolite; plant metabolite
conessine	[no description available]	medium	1	0	steroid alkaloid; tertiary amino compound	antibacterial agent; antimalarial; H3-receptor antagonist; plant metabolite
digitoxin	[no description available]	medium	2	0	cardenolide glycoside	EC 3.6.3.9 (Na(+)/K(+)-transporting ATPase) inhibitor
hyperforin	[no description available]	medium	1	0
deltaline	[no description available]	medium	1	0	acetate ester; cyclic acetal; diterpene alkaloid; organic polycyclic compound; tertiary alcohol; tertiary amino compound
ingenol	[no description available]	medium	1	0	cyclic terpene ketone; tetracyclic diterpenoid
picrotin	[no description available]	medium	1	0	diol; epoxide; gamma-lactone; organic heteropentacyclic compound; picrotoxane sesquiterpenoid; tertiary alcohol	plant metabolite
picrotoxinin	[no description available]	medium	1	0	epoxide; gamma-lactone; organic heteropentacyclic compound; picrotoxane sesquiterpenoid; tertiary alcohol	GABA antagonist; plant metabolite; serotonergic antagonist
naringin	[no description available]	medium	2	0	(2S)-flavan-4-one; 4'-hydroxyflavanones; dihydroxyflavanone; disaccharide derivative; neohesperidoside	anti-inflammatory agent; antineoplastic agent; metabolite
isonaringin	[no description available]	medium	1	0	(2S)-flavan-4-one; 4'-hydroxyflavanones; dihydroxyflavanone; disaccharide derivative; rutinoside	anti-inflammatory agent; antioxidant; metabolite
ochratoxin a	[no description available]	medium	2	0	isochromanes; monocarboxylic acid amide; N-acyl-L-phenylalanine; organochlorine compound; phenylalanine derivative	Aspergillus metabolite; calcium channel blocker; carcinogenic agent; mycotoxin; nephrotoxin; Penicillium metabolite; teratogenic agent
gingerol	[no description available]	medium	1	0	beta-hydroxy ketone; guaiacols	antineoplastic agent; plant metabolite
securinine	[no description available]	medium	1	0	indolizines
ferulic acid	[no description available]	medium	2	0	ferulic acids	anti-inflammatory agent; antioxidant; apoptosis inhibitor; cardioprotective agent; MALDI matrix material; plant metabolite
mycophenolic acid	[no description available]	high	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
alitretinoin	[no description available]	medium	1	0	retinoic acid	antineoplastic agent; keratolytic drug; metabolite; retinoid X receptor agonist
12-deoxyphorbol 13-acetate	[no description available]	medium	1	0	phorbol ester	metabolite
aphidicolin	[no description available]	medium	1	0	tetracyclic diterpenoid	antimicrobial agent; antimitotic; antineoplastic agent; antiviral drug; apoptosis inducer; Aspergillus metabolite; DNA synthesis inhibitor; EC 2.7.7.7 (DNA-directed DNA polymerase) inhibitor; fungal metabolite
(+)-usnic acid	[no description available]	medium	1	0	usnic acid
beta, beta-dimethylacrylshikonin, (+)-isomer	[no description available]	medium	1	0	hydroxy-1,4-naphthoquinone
shikonin	[no description available]	medium	1	0	hydroxy-1,4-naphthoquinone
rhapontin	[no description available]	medium	1	0	rhaponticin	angiogenesis inhibitor; anti-allergic agent; anti-inflammatory agent; antilipemic drug; antineoplastic agent; apoptosis inducer; EC 2.3.1.85 (fatty acid synthase) inhibitor; hypoglycemic agent; neuroprotective agent; plant metabolite
piperine	[no description available]	medium	5	0	benzodioxoles; N-acylpiperidine; piperidine alkaloid; tertiary carboxamide	food component; human blood serum metabolite; NF-kappaB inhibitor; plant metabolite
amygdalin	[no description available]	medium	1	0	amygdalin	antineoplastic agent; apoptosis inducer; plant metabolite
hydrastine, (r-(r,s))-isomer	[no description available]	medium	1	0	isoquinolines
vasicine	[no description available]	medium	1	0
heliotrine	[no description available]	medium	1	0	pyrrolizines
sclareolide	[no description available]	medium	1	0	naphthofuran
hypocrellin b	[no description available]	medium	1	0
aurapten	[no description available]	medium	2	0	coumarins; monoterpenoid	antihypertensive agent; antineoplastic agent; antioxidant; apoptosis inducer; dopaminergic agent; EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor; gamma-secretase modulator; gastrointestinal drug; hepatoprotective agent; matrix metalloproteinase inhibitor; neuroprotective agent; plant metabolite; PPARalpha agonist; vulnerary
chlorogenic acid	[no description available]	medium	5	0	cinnamate ester; tannin	food component; plant metabolite
fumonisin b2	[no description available]	medium	1	0	diester; diol; fumonisin; primary amino compound	Aspergillus metabolite; carcinogenic agent
valinomycin	[no description available]	medium	61	0	cyclodepsipeptide; macrocycle	antimicrobial agent; antiviral agent; bacterial metabolite; potassium ionophore
orlistat	[no description available]	medium	3	0	beta-lactone; carboxylic ester; formamides; L-leucine derivative	anti-obesity agent; bacterial metabolite; EC 2.3.1.85 (fatty acid synthase) inhibitor; EC 3.1.1.3 (triacylglycerol lipase) inhibitor
12-deoxyphorbolphenylacetate-20-acetate	[no description available]	medium	1	0
brassinin	[no description available]	medium	1	0	dithiocarbamic ester; indole phytoalexin
chaetomellic acid a	[no description available]	medium	1	0
hirsutine	[no description available]	medium	1	0
3-deoxyvasicine, hydrochloride	[no description available]	medium	1	0
emetine dihydrochloride	[no description available]	medium	1	0	hydrochloride	anticoronaviral agent; antimalarial; antineoplastic agent; antiprotozoal drug; antiviral agent; autophagy inhibitor; emetic; protein synthesis inhibitor
salinomycin	[no description available]	medium	1	0	polyketide; spiroketal	animal growth promotant; potassium ionophore
silybin	[no description available]	medium	1	0
5,6-dehydrokawain	[no description available]	medium	1	0	2-pyranones; aromatic ether
9,10-dihydrolysergol	[no description available]	medium	1	0
geranylgeranic acid	[no description available]	medium	1	0	alpha,beta-unsaturated monocarboxylic acid; diterpenoid; methyl-branched fatty acid; trienoic fatty acid
dinoprost	[no description available]	medium	6	0	monocarboxylic acid; prostaglandins Falpha	human metabolite; mouse metabolite
prostaglandin b1	[no description available]	medium	1	0	prostaglandins B	human metabolite
sterigmatocystin	[no description available]	medium	1	0	sterigmatocystins	metabolite
vitexin	[no description available]	medium	1	0	C-glycosyl compound; trihydroxyflavone	antineoplastic agent; EC 3.2.1.20 (alpha-glucosidase) inhibitor; plant metabolite; platelet aggregation inhibitor
acacetin	[no description available]	medium	1	0	dihydroxyflavone; monomethoxyflavone	anticonvulsant; plant metabolite
quercitrin	[no description available]	medium	1	0	alpha-L-rhamnoside; monosaccharide derivative; quercetin O-glycoside; tetrahydroxyflavone	antileishmanial agent; antioxidant; EC 1.1.1.184 [carbonyl reductase (NADPH)] inhibitor; EC 1.1.1.21 (aldehyde reductase) inhibitor; EC 1.14.18.1 (tyrosinase) inhibitor; plant metabolite
scopoletin	[no description available]	medium	2	0	hydroxycoumarin	plant growth regulator; plant metabolite
hymecromone	[no description available]	medium	1	0	hydroxycoumarin	antineoplastic agent; hyaluronic acid synthesis inhibitor
alprostadil	[no description available]	medium	4	0	prostaglandins E	anticoagulant; human metabolite; platelet aggregation inhibitor; vasodilator agent
quercetin 3-o-glucopyranoside	[no description available]	medium	1	0	beta-D-glucoside; monosaccharide derivative; quercetin O-glucoside; tetrahydroxyflavone	antineoplastic agent; antioxidant; antipruritic drug; bone density conservation agent; geroprotector; histamine antagonist; osteogenesis regulator; plant metabolite
rutin	[no description available]	high	4	0	disaccharide derivative; quercetin O-glucoside; rutinoside; tetrahydroxyflavone	antioxidant; metabolite
butein	[no description available]	medium	1	0	chalcones; polyphenol	antineoplastic agent; antioxidant; EC 1.1.1.21 (aldehyde reductase) inhibitor; geroprotector; hypoglycemic agent; plant metabolite; radiosensitizing agent; tyrosine kinase inhibitor
sulfuretin	[no description available]	medium	1	0	1-benzofurans
genistin	[no description available]	medium	1	0	7-hydroxyisoflavones 7-O-beta-D-glucoside
chartreusin	[no description available]	medium	1	0	benzochromenone; glycoside
methysticin	[no description available]	medium	1	0	2-pyranones; aromatic ether
yangonin	[no description available]	medium	1	0	2-pyranones; aromatic ether
zearalenone	[no description available]	medium	1	0	macrolide; resorcinols	fungal metabolite; mycoestrogen
baicalein	[no description available]	medium	7	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
datiscetin	[no description available]	medium	1	0	7-hydroxyflavonol; tetrahydroxyflavone
diosmetin	[no description available]	medium	1	0	3'-hydroxyflavonoid; monomethoxyflavone; trihydroxyflavone	angiogenesis inhibitor; anti-inflammatory agent; antineoplastic agent; antioxidant; apoptosis inducer; bone density conservation agent; cardioprotective agent; plant metabolite; tropomyosin-related kinase B receptor agonist; vasodilator agent
diosmin	[no description available]	medium	1	0	dihydroxyflavanone; disaccharide derivative; glycosyloxyflavone; monomethoxyflavone; rutinoside	anti-inflammatory agent; antioxidant
fisetin	[no description available]	medium	4	0	3'-hydroxyflavonoid; 7-hydroxyflavonol; tetrahydroxyflavone	anti-inflammatory agent; antioxidant; EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor; geroprotector; metabolite; plant metabolite
galangin	[no description available]	medium	1	0	7-hydroxyflavonol; trihydroxyflavone	antimicrobial agent; EC 3.1.1.3 (triacylglycerol lipase) inhibitor; plant metabolite
3-methylquercetin	[no description available]	medium	1	0	7-hydroxyflavonol; monomethoxyflavone; tetrahydroxyflavone	anticoagulant; EC 1.14.18.1 (tyrosinase) inhibitor; metabolite
rhamnetin	[no description available]	medium	1	0	monomethoxyflavone; tetrahydroxyflavone	anti-inflammatory agent; antioxidant; metabolite
robinetin	[no description available]	medium	1	0	7-hydroxyflavonol; pentahydroxyflavone	plant metabolite
tamarixetin	[no description available]	medium	1	0	7-hydroxyflavonol; monomethoxyflavone; tetrahydroxyflavone	antioxidant; metabolite
wogonin	[no description available]	medium	1	0	dihydroxyflavone; monomethoxyflavone	angiogenesis inhibitor; antineoplastic agent; cyclooxygenase 2 inhibitor; plant metabolite
coumestrol	[no description available]	medium	2	0	coumestans; delta-lactone; polyphenol	anti-inflammatory agent; antioxidant; plant metabolite
rosmarinic acid	[no description available]	medium	2	0	rosmarinic acid	geroprotector; plant metabolite
wedelolactone	[no description available]	medium	1	0	aromatic ether; coumestans; delta-lactone; polyphenol	antineoplastic agent; apoptosis inducer; EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor; hepatoprotective agent; metabolite
7-hydroxyflavone	[no description available]	medium	2	0	hydroxyflavonoid
prostaglandin a1	[no description available]	medium	2	0	prostaglandins A
cerulenin	[no description available]	medium	1	0	epoxide; monocarboxylic acid amide	antifungal agent; antiinfective agent; antilipemic drug; antimetabolite; antimicrobial agent; fatty acid synthesis inhibitor
rhoifolin	[no description available]	medium	1	0	dihydroxyflavone; glycosyloxyflavone; neohesperidoside	metabolite
vitexin rhamnoside	[no description available]	medium	1	0	C-glycosyl compound; disaccharide derivative; trihydroxyflavone	plant metabolite
domoic acid	[no description available]	medium	1	0	L-proline derivative; non-proteinogenic L-alpha-amino acid; pyrrolidinecarboxylic acid; tricarboxylic acid	algal metabolite; hapten; marine metabolite; neuromuscular agent; neurotoxin
natamycin	[no description available]	medium	2	0	antibiotic antifungal drug; dicarboxylic acid monoester; epoxide; macrolide antibiotic; monosaccharide derivative; polyene antibiotic	antifungal agrochemical; antimicrobial food preservative; apoptosis inducer; bacterial metabolite; ophthalmology drug
cytochalasin b	[no description available]	high	8	0	cytochalasin; lactam; lactone; organic heterotricyclic compound	actin polymerisation inhibitor; metabolite; mycotoxin; platelet aggregation inhibitor
vinorelbine	[no description available]	high	1	0	acetate ester; methyl ester; organic heteropentacyclic compound; organic heterotetracyclic compound; ring assembly; vinca alkaloid	antineoplastic agent; photosensitizing agent
bisdemethoxycurcumin	[no description available]	medium	2	0	beta-diketone; diarylheptanoid; enone; polyphenol	EC 3.2.1.1 (alpha-amylase) inhibitor; metabolite
andrographolide	[no description available]	medium	2	0	carbobicyclic compound; gamma-lactone; labdane diterpenoid; primary alcohol; secondary alcohol	anti-HIV agent; anti-inflammatory drug; antineoplastic agent; metabolite
isorhamnetin 3-o-glucoside	[no description available]	medium	1	0	beta-D-glucoside; glycosyloxyflavone; monomethoxyflavone; monosaccharide derivative; trihydroxyflavone	metabolite
6,7-dihydroxyflavone	[no description available]	medium	2	0
flavokawain b	[no description available]	medium	1	0	chalcones; dimethoxybenzene; phenols	anti-inflammatory agent; antileishmanial agent; antineoplastic agent; apoptosis inducer; metabolite
kavain	[no description available]	medium	1	0	racemate	glycine receptor antagonist
abscisic acid, (+,-)-isomer	[no description available]	medium	1	0	abscisic acids	abscisic acid receptor agonist
veratrine	[no description available]	medium	1	0	alkaloid
catharanthine	[no description available]	medium	1	0	alkaloid ester; bridged compound; methyl ester; monoterpenoid indole alkaloid; organic heteropentacyclic compound; tertiary amino compound
cytochalasin e	[no description available]	medium	1	0	cytochalasan alkaloid	metabolite
cytochalasin d	[no description available]	medium	1	0
sinomenine	[no description available]	medium	1	0	morphinane alkaloid
ecdysterone	[no description available]	medium	2	0	14alpha-hydroxy steroid; 20-hydroxy steroid; 22-hydroxy steroid; 25-hydroxy steroid; 2beta-hydroxy steroid; 3beta-sterol; ecdysteroid; phytoecdysteroid	animal metabolite; plant metabolite
bleomycin	[no description available]	medium	1	0	bleomycin	antineoplastic agent; metabolite
bakuchiol	[no description available]	medium	1	0
zerumbone	[no description available]	medium	1	0	cyclic ketone; sesquiterpenoid	anti-inflammatory agent; glioma-associated oncogene inhibitor; plant metabolite
solanesol	[no description available]	medium	1	0	nonaprenol; primary alcohol	plant metabolite
(1S,15S,17R,18R,19S,20S)-6,18-dimethoxy-17-[oxo-(3,4,5-trimethoxyphenyl)methoxy]-1,3,11,12,14,15,16,17,18,19,20,21-dodecahydroyohimban-19-carboxylic acid methyl ester	[no description available]	medium	1	0	yohimban alkaloid
n-caproylsphingosine	[no description available]	medium	2	0	N-acylsphingosine
monorden	[no description available]	medium	1	0	cyclic ketone; enone; epoxide; macrolide antibiotic; monochlorobenzenes; phenols	antifungal agent; metabolite; tyrosine kinase inhibitor
ginkgolide b	[no description available]	medium	1	0
hydrocotarnine hydrobromide	[no description available]	medium	1	0
salsolinol hydrobromide	[no description available]	medium	1	0
lasalocid sodium	[no description available]	medium	1	0	benzoates; organic sodium salt	coccidiostat; ionophore
sclerotiorin	[no description available]	medium	1	0	azaphilone
himbacine	[no description available]	medium	1	0	gamma-lactone; organic heterotricyclic compound; piperidine alkaloid	muscarinic antagonist
ebelactone b	[no description available]	medium	1	0
3-o-methylbutein	[no description available]	medium	1	0	chalcones
thermozymocidin	[no description available]	medium	1	0	alpha-amino fatty acid; hydroxy monocarboxylic acid; non-proteinogenic alpha-amino acid; sphingoid	antifungal agent; antimicrobial agent; antineoplastic agent; apoptosis inducer; EC 2.3.1.50 (serine C-palmitoyltransferase) inhibitor; fungal metabolite; immunosuppressive agent
marein	[no description available]	medium	1	0	flavonoids; glycoside
hydroxyachillin	[no description available]	medium	1	0	gamma-lactone
fumagillin	[no description available]	medium	1	0	antibiotic antifungal drug; carboxylic ester; dicarboxylic acid monoester; meroterpenoid; organooxygen heterocyclic antibiotic; spiro-epoxide	angiogenesis inhibitor; antibacterial drug; antimicrobial agent; antiprotozoal drug; fungal metabolite; methionine aminopeptidase 2 inhibitor
artesunate	[no description available]	medium	2	0	artemisinin derivative; cyclic acetal; dicarboxylic acid monoester; hemisuccinate; semisynthetic derivative; sesquiterpenoid	antimalarial; antineoplastic agent; ferroptosis inducer
anisodamine	[no description available]	medium	1	0
bufalin	[no description available]	medium	1	0	14beta-hydroxy steroid; 3beta-hydroxy steroid	animal metabolite; anti-inflammatory agent; antineoplastic agent; cardiotonic drug
alpha-solanine	[no description available]	medium	1	0	glycoalkaloid; organic heterohexacyclic compound; steroid saponin; trisaccharide derivative	antineoplastic agent; apoptosis inducer; phytotoxin; plant metabolite
apigenin-7-o-rutinoside	[no description available]	medium	1	0
gambogic acid	[no description available]	medium	1	0	pyranoxanthones	metabolite
bn 52020	[no description available]	medium	1	0
carmine	[no description available]	medium	1	0	C-glycosyl compound; monocarboxylic acid; tetrahydroxyanthraquinone	animal metabolite; histological dye
bavachinin	[no description available]	medium	2	0	flavanones
grayanotoxin iii	[no description available]	medium	1	0
Dihydrotanshinone I	[no description available]	medium	1	0	abietane diterpenoid	anticoronaviral agent
cinobufagin	[no description available]	medium	1	0	steroid lactone
cannogenin thevetoside	[no description available]	medium	1	0	cardenolide glycoside
eriodictyol 7-O-beta-D-glucopyranoside	[no description available]	medium	1	0	beta-D-glucoside; flavanone glycoside; monosaccharide derivative; trihydroxyflavanone	plant metabolite; radical scavenger
hypocrellin a	[no description available]	medium	1	0
dihydrorobinetin	[no description available]	medium	1	0
monensin	[no description available]	medium	1	0
minocycline	[no description available]	medium	7	0
citrinin	[no description available]	medium	2	0
vulpinic acid	[no description available]	medium	1	0	butenolide
alpha-cyclopiazonic acid	[no description available]	medium	2	0	alpha-cyclopiazonic acids
marmin	[no description available]	medium	1	0
1-(3-chlorophenyl)piperazine	[no description available]	medium	1	0	monochlorobenzenes; N-arylpiperazine	drug metabolite; environmental contaminant; serotonergic agonist; xenobiotic
alprenolol	[no description available]	medium	4	0	secondary alcohol; secondary amino compound	anti-arrhythmia drug; antihypertensive agent; beta-adrenergic antagonist; sympatholytic agent
diatrizoic acid	[no description available]	medium	1	0	acetamides; benzoic acids; organoiodine compound	environmental contaminant; radioopaque medium; xenobiotic
dan 2163	[no description available]	medium	1	0	aromatic amide; aromatic amine; benzamides; pyrrolidines; sulfone	environmental contaminant; second generation antipsychotic; xenobiotic
amlexanox	[no description available]	medium	1	0	monocarboxylic acid; pyridochromene	anti-allergic agent; anti-ulcer drug; non-steroidal anti-inflammatory drug
amlodipine	[no description available]	medium	1	0	dihydropyridine; ethyl ester; methyl ester; monochlorobenzenes; primary amino compound	antihypertensive agent; calcium channel blocker; vasodilator agent
amsacrine	[no description available]	medium	1	0	acridines; aromatic ether; sulfonamide	antineoplastic agent; EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor
anastrozole	[no description available]	medium	1	0	nitrile; triazoles	antineoplastic agent; EC 1.14.14.14 (aromatase) inhibitor
anthralin	[no description available]	medium	1	0	anthracenes	antipsoriatic
benzocaine	[no description available]	medium	1	0	benzoate ester; substituted aniline	allergen; antipruritic drug; sensitiser; topical anaesthetic
bay h 4502	[no description available]	medium	1	0	biphenyls; imidazoles
bisacodyl	[no description available]	medium	1	0	diarylmethane
bromopride	[no description available]	medium	1	0	benzamides
bronopol	[no description available]	medium	1	0	nitro compound
carprofen	[no description available]	medium	1	0	carbazoles; organochlorine compound	EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor; non-steroidal anti-inflammatory drug; photosensitizing agent
carvedilol	[no description available]	medium	2	0	carbazoles; secondary alcohol; secondary amino compound	alpha-adrenergic antagonist; antihypertensive agent; beta-adrenergic antagonist; cardiovascular drug; vasodilator agent
chlordiazepoxide	[no description available]	medium	1	0	benzodiazepine
chlorpheniramine	[no description available]	medium	1	0	monochlorobenzenes; pyridines; tertiary amino compound	anti-allergic agent; antidepressant; antipruritic drug; H1-receptor antagonist; histamine antagonist; serotonin uptake inhibitor
chlorthalidone	[no description available]	medium	1	0	isoindoles; monochlorobenzenes; sulfonamide
cifenline	[no description available]	medium	1	0	diarylmethane
clioquinol	[no description available]	high	2	0	monohydroxyquinoline; organochlorine compound; organoiodine compound	antibacterial agent; antifungal agent; antimicrobial agent; antineoplastic agent; antiprotozoal drug; chelator; copper chelator
clobazam	[no description available]	medium	1	0	1,4-benzodiazepinone; organochlorine compound	anticonvulsant; anxiolytic drug; GABA modulator
clofazimine	[no description available]	medium	1	0	monochlorobenzenes; phenazines	dye; leprostatic drug; non-steroidal anti-inflammatory drug
4-chloro-N-(2,6-dimethyl-1-piperidinyl)-3-sulfamoylbenzamide	[no description available]	medium	1	0	sulfonamide
diazepam	[no description available]	medium	3	0	1,4-benzodiazepinone; organochlorine compound	anticonvulsant; anxiolytic drug; environmental contaminant; sedative; xenobiotic
doxepin	[no description available]	medium	1	0	dibenzooxepine; tertiary amino compound	antidepressant
ebastine	[no description available]	medium	1	0	organic molecular entity
enoxacin	[no description available]	medium	1	0	1,8-naphthyridine derivative; amino acid; fluoroquinolone antibiotic; monocarboxylic acid; N-arylpiperazine; quinolone antibiotic	antibacterial drug; DNA synthesis inhibitor
ethacrynic acid	[no description available]	medium	8	0	aromatic ether; aromatic ketone; dichlorobenzene; monocarboxylic acid	EC 2.5.1.18 (glutathione transferase) inhibitor; ion transport inhibitor; loop diuretic
brl 42810	[no description available]	medium	1	0	2-aminopurines; acetate ester	antiviral drug; prodrug
4-biphenylylacetic acid	[no description available]	medium	1	0	biphenyls; monocarboxylic acid	non-steroidal anti-inflammatory drug
fleroxacin	[no description available]	medium	2	0	difluorobenzene; fluoroquinolone antibiotic; monocarboxylic acid; N-alkylpiperazine; quinolines	antibacterial drug; EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor; topoisomerase IV inhibitor
guanfacine	[no description available]	medium	1	0	acetamides
hydroflumethiazide	[no description available]	medium	1	0	benzothiadiazine; thiazide	antihypertensive agent; diuretic
imipramine	[no description available]	medium	7	0	dibenzoazepine	adrenergic uptake inhibitor; antidepressant; EC 3.4.21.26 (prolyl oligopeptidase) inhibitor
indapamide	[no description available]	medium	1	0	indoles; organochlorine compound; sulfonamide	antihypertensive agent; diuretic
iohexol	[no description available]	medium	1	0	benzenedicarboxamide; organoiodine compound	environmental contaminant; radioopaque medium; xenobiotic
itraconazole	[no description available]	medium	1	0	piperazines
ketamine	[no description available]	medium	2	0	cyclohexanones; monochlorobenzenes; secondary amino compound	analgesic; environmental contaminant; intravenous anaesthetic; neurotoxin; NMDA receptor antagonist; xenobiotic
ketanserin	[no description available]	medium	2	0	aromatic ketone; organofluorine compound; piperidines; quinazolines	alpha-adrenergic antagonist; antihypertensive agent; cardiovascular drug; EC 3.4.21.26 (prolyl oligopeptidase) inhibitor; serotonergic antagonist
lofepramine	[no description available]	medium	1	0	aromatic ketone; dibenzoazepine; monochlorobenzenes; tertiary amino compound	antidepressant
lomustine	[no description available]	medium	1	0	N-nitrosoureas; organochlorine compound	alkylating agent; antineoplastic agent
metoclopramide	[no description available]	medium	1	0	benzamides; monochlorobenzenes; substituted aniline; tertiary amino compound	antiemetic; dopaminergic antagonist; environmental contaminant; gastrointestinal drug; xenobiotic
mexiletine	[no description available]	medium	1	0	aromatic ether; primary amino compound	anti-arrhythmia drug
midazolam	[no description available]	high	2	0	imidazobenzodiazepine; monofluorobenzenes; organochlorine compound	anticonvulsant; antineoplastic agent; anxiolytic drug; apoptosis inducer; central nervous system depressant; GABAA receptor agonist; general anaesthetic; muscle relaxant; sedative
mirtazapine	[no description available]	medium	1	0	benzazepine; tetracyclic antidepressant	alpha-adrenergic antagonist; anxiolytic drug; H1-receptor antagonist; histamine antagonist; oneirogen; serotonergic antagonist
moclobemide	[no description available]	medium	1	0	benzamides; monochlorobenzenes; morpholines	antidepressant; environmental contaminant; xenobiotic
acecainide	[no description available]	medium	1	0	acetamides; benzamides	anti-arrhythmia drug
nadolol	[no description available]	medium	1	0	tetralins
nefopam	[no description available]	medium	1	0	benzoxazocine; tertiary amino compound
neostigmine	[no description available]	medium	1	0	quaternary ammonium ion	antidote to curare poisoning; EC 3.1.1.7 (acetylcholinesterase) inhibitor
nitrazepam	[no description available]	medium	1	0	1,4-benzodiazepinone; C-nitro compound	anticonvulsant; antispasmodic drug; drug metabolite; GABA modulator; sedative
norfloxacin	[no description available]	medium	1	0	fluoroquinolone antibiotic; N-arylpiperazine; quinolinemonocarboxylic acid; quinolone antibiotic; quinolone	antibacterial drug; DNA synthesis inhibitor; environmental contaminant; xenobiotic
nortriptyline	[no description available]	medium	1	0	organic tricyclic compound; secondary amine	adrenergic uptake inhibitor; analgesic; antidepressant; antineoplastic agent; apoptosis inducer; drug metabolite
ondansetron	[no description available]	medium	1	0	carbazoles
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
piribedil	[no description available]	medium	1	0	N-arylpiperazine
ono 1078	[no description available]	medium	1	0	chromones
pyranoprofen	[no description available]	medium	1	0	pyridochromene
primaquine	[no description available]	medium	2	0	aminoquinoline; aromatic ether; N-substituted diamine	antimalarial
procainamide	[no description available]	medium	1	0	benzamides	anti-arrhythmia drug; platelet aggregation inhibitor; sodium channel blocker
prochlorperazine	[no description available]	medium	1	0	N-alkylpiperazine; N-methylpiperazine; organochlorine compound; phenothiazines	alpha-adrenergic antagonist; antiemetic; cholinergic antagonist; dopamine receptor D2 antagonist; dopaminergic antagonist; EC 3.4.21.26 (prolyl oligopeptidase) inhibitor; first generation antipsychotic
promethazine	[no description available]	medium	4	0	phenothiazines; tertiary amine	anti-allergic agent; anticoronaviral agent; antiemetic; antipruritic drug; H1-receptor antagonist; local anaesthetic; sedative
sulfadiazine	[no description available]	medium	1	0	pyrimidines; substituted aniline; sulfonamide antibiotic; sulfonamide	antiinfective agent; antimicrobial agent; antiprotozoal drug; coccidiostat; drug allergen; EC 1.1.1.153 [sepiapterin reductase (L-erythro-7,8-dihydrobiopterin forming)] inhibitor; EC 2.5.1.15 (dihydropteroate synthase) inhibitor; environmental contaminant; xenobiotic
vorinostat	[no description available]	high	3	0	dicarboxylic acid diamide; hydroxamic acid	antineoplastic agent; apoptosis inducer; EC 3.5.1.98 (histone deacetylase) inhibitor
sulfamethoxazole	[no description available]	medium	1	0	isoxazoles; substituted aniline; sulfonamide antibiotic; sulfonamide	antibacterial agent; antiinfective agent; antimicrobial agent; drug allergen; EC 1.1.1.153 [sepiapterin reductase (L-erythro-7,8-dihydrobiopterin forming)] inhibitor; EC 2.5.1.15 (dihydropteroate synthase) inhibitor; environmental contaminant; epitope; P450 inhibitor; xenobiotic
sulfisoxazole	[no description available]	medium	1	0	isoxazoles; sulfonamide antibiotic; sulfonamide	antibacterial drug; drug allergen
tazarotene	[no description available]	medium	1	0	acetylenic compound; ethyl ester; pyridines; retinoid; thiochromane	keratolytic drug; prodrug; teratogenic agent
terbutaline	[no description available]	medium	1	0	phenylethanolamines; resorcinols	anti-asthmatic drug; beta-adrenergic agonist; bronchodilator agent; EC 3.1.1.7 (acetylcholinesterase) inhibitor; hypoglycemic agent; sympathomimetic agent; tocolytic agent
thiotepa	[no description available]	medium	1	0	aziridines
tiapride	[no description available]	medium	1	0	benzamides
tilorone	[no description available]	medium	1	0	aromatic ether; diether; fluoren-9-ones; tertiary amino compound	anti-inflammatory agent; antineoplastic agent; antiviral agent; interferon inducer; nicotinic acetylcholine receptor agonist
tizanidine	[no description available]	medium	1	0	benzothiadiazole; imidazoles	alpha-adrenergic agonist; muscle relaxant
nikethamide	[no description available]	medium	1	0	pyridinecarboxamide
tolnaftate	[no description available]	medium	1	0	monothiocarbamic ester	antifungal drug
trazodone	[no description available]	medium	1	0	monochlorobenzenes; N-alkylpiperazine; N-arylpiperazine; triazolopyridine	adrenergic antagonist; antidepressant; anxiolytic drug; H1-receptor antagonist; sedative; serotonin uptake inhibitor
thenoyltrifluoroacetone	[no description available]	medium	34	0
undecylenic acid	[no description available]	medium	1	0	undecenoic acid	antifungal drug; plant metabolite
urapidil	[no description available]	medium	1	0	piperazines
venlafaxine	[no description available]	medium	1	0	cyclohexanols; monomethoxybenzene; tertiary alcohol; tertiary amino compound	adrenergic uptake inhibitor; analgesic; antidepressant; dopamine uptake inhibitor; environmental contaminant; serotonin uptake inhibitor; xenobiotic
zaleplon	[no description available]	medium	1	0	nitrile; pyrazolopyrimidine	anticonvulsant; anxiolytic drug; central nervous system depressant; sedative
zopiclone	[no description available]	medium	1	0	monochloropyridine; pyrrolopyrazine	central nervous system depressant; sedative
penicillamine	[no description available]	medium	6	0	non-proteinogenic alpha-amino acid; penicillamine	antirheumatic drug; chelator; copper chelator; drug allergen
tubocurarine	[no description available]	medium	1	0	bisbenzylisoquinoline alkaloid	drug allergen; muscle relaxant; nicotinic antagonist
triamcinolone diacetate	[no description available]	medium	1	0	corticosteroid hormone
cytarabine	[no description available]	high	4	0	beta-D-arabinoside; monosaccharide derivative; pyrimidine nucleoside	antimetabolite; antineoplastic agent; antiviral agent; immunosuppressive agent
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
methylprednisolone	[no description available]	medium	2	0	6-methylprednisolone; primary alpha-hydroxy ketone; tertiary alpha-hydroxy ketone	adrenergic agent; anti-inflammatory drug; antiemetic; environmental contaminant; neuroprotective agent; xenobiotic
galantamine	[no description available]	medium	2	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
emetine	[no description available]	medium	1	0	isoquinoline alkaloid; pyridoisoquinoline	antiamoebic agent; anticoronaviral agent; antiinfective agent; antimalarial; antineoplastic agent; antiprotozoal drug; antiviral agent; autophagy inhibitor; emetic; expectorant; plant metabolite; protein synthesis inhibitor
dimenhydrinate	[no description available]	medium	1	0	diarylmethane
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
hydroxychloroquine sulfate	[no description available]	medium	1	0
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
ethambutol hydrochloride	[no description available]	medium	1	0	hydrochloride	antitubercular agent
metylperon	[no description available]	medium	1	0	aromatic ketone
dicloxacillin	[no description available]	medium	1	0	dichlorobenzene; penicillin	antibacterial drug
metocurine	[no description available]	medium	1	0	isoquinolines
etidronate disodium	[no description available]	medium	1	0	organic sodium salt	antineoplastic agent; bone density conservation agent; chelator
mafenide acetate	[no description available]	medium	1	0	carboxylic acid
diacerein	[no description available]	medium	1	0	anthraquinone
selegiline hydrochloride, (r)-isomer	[no description available]	medium	1	0	hydrochloride; terminal acetylenic compound	antiparkinson drug; dopaminergic agent; EC 1.4.3.4 (monoamine oxidase) inhibitor
thiamphenicol	[no description available]	medium	1	0	monocarboxylic acid amide; sulfone	antimicrobial agent; immunosuppressive agent
ornidazole	[no description available]	medium	1	0	C-nitro compound; imidazoles; organochlorine compound; secondary alcohol	antiamoebic agent; antibacterial drug; antiinfective agent; antiprotozoal drug; antitrichomonal drug; epitope
fludarabine phosphate	[no description available]	medium	1	0	nucleoside analogue; organofluorine compound; purine arabinonucleoside monophosphate	antimetabolite; antineoplastic agent; antiviral agent; DNA synthesis inhibitor; immunosuppressive agent; prodrug
benzonidazole	[no description available]	medium	1	0	C-nitro compound; imidazoles; monocarboxylic acid amide	antiprotozoal drug
indoramin	[no description available]	medium	1	0	tryptamines
oxcarbazepine	[no description available]	medium	1	0	cyclic ketone; dibenzoazepine	anticonvulsant; drug allergen
carbidopa	[no description available]	medium	1	0	catechols; hydrazines; monocarboxylic acid	antiparkinson drug; dopaminergic agent; EC 4.1.1.28 (aromatic-L-amino-acid decarboxylase) inhibitor
feprazone	[no description available]	medium	1	0	organic molecular entity
amikacin	[no description available]	medium	1	0	alpha-D-glucoside; amino cyclitol glycoside; aminoglycoside; carboxamide	antibacterial drug; antimicrobial agent; nephrotoxin
vecuronium bromide	[no description available]	medium	1	0	organic bromide salt; quaternary ammonium salt	muscle relaxant; neuromuscular agent; nicotinic antagonist
acarbose	[no description available]	medium	1	0	tetrasaccharide derivative	EC 3.2.1.1 (alpha-amylase) inhibitor; EC 3.2.1.20 (alpha-glucosidase) inhibitor; geroprotector; hypoglycemic agent
lorcainide	[no description available]	medium	1	0	acetamides
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
foscarnet sodium	[no description available]	medium	1	0	one-carbon compound; organic sodium salt	antiviral drug
atracurium besylate	[no description available]	medium	1	0	organosulfonate salt; quaternary ammonium salt	muscle relaxant; nicotinic antagonist
nicorandil	[no description available]	medium	1	0	nitrate ester; pyridinecarboxamide	potassium channel opener; vasodilator agent
talniflumate	[no description available]	medium	1	0	benzofurans
fenoldopam mesylate	[no description available]	medium	1	0	benzazepine
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
flupirtine	[no description available]	medium	1	0	aminopyridine
stepronin	[no description available]	medium	1	0	N-acyl-amino acid
idazoxan	[no description available]	medium	2	0	benzodioxine; imidazolines	alpha-adrenergic antagonist
remoxipride	[no description available]	medium	1	0	dimethoxybenzene
cabergoline	[no description available]	high	2	0	N-acylurea	antineoplastic agent; antiparkinson drug; dopamine agonist
atomoxetine hydrochloride	[no description available]	medium	1	0	hydrochloride	adrenergic uptake inhibitor; antidepressant
imiquimod	[no description available]	medium	1	0	imidazoquinoline	antineoplastic agent; interferon inducer
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
adapalene	[no description available]	medium	1	0	adamantanes; monocarboxylic acid; naphthoic acid	dermatologic drug; EC 2.7.11.22 (cyclin-dependent kinase) inhibitor; non-steroidal anti-inflammatory drug
cidofovir anhydrous	[no description available]	medium	1	0	phosphonic acids; pyrimidone	anti-HIV agent; antineoplastic agent; antiviral drug; photosensitizing agent
gemcitabine hydrochloride	[no description available]	medium	1	0	hydrochloride; organofluorine compound	anticoronaviral agent; antimetabolite; antineoplastic agent; antiviral drug; EC 1.17.4.1 (ribonucleoside-diphosphate reductase) inhibitor; immunosuppressive agent; radiosensitizing agent
aripiprazole	[no description available]	medium	1	0	aromatic ether; delta-lactam; dichlorobenzene; N-alkylpiperazine; N-arylpiperazine; quinolone	drug metabolite; H1-receptor antagonist; second generation antipsychotic; serotonergic agonist
atorvastatin calcium anhydrous	[no description available]	medium	1	0	organic calcium salt
duloxetine hydrochloride	[no description available]	medium	2	0	duloxetine hydrochloride	antidepressant
zolmitriptan	[no description available]	medium	1	0	oxazolidinone; tryptamines	anti-inflammatory drug; serotonergic agonist; vasoconstrictor agent
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
emtricitabine	[no description available]	medium	1	0	monothioacetal; nucleoside analogue; organofluorine compound; pyrimidone	antiviral drug; HIV-1 reverse transcriptase inhibitor
paroxetine hydrochloride	[no description available]	medium	1	0	hydrochloride	antidepressant; anxiolytic drug; hepatotoxic agent; P450 inhibitor; serotonin uptake inhibitor
efavirenz	[no description available]	medium	2	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
bupivacaine hydrochloride	[no description available]	medium	1	0	hydrochloride; racemate	adrenergic antagonist; amphiphile; EC 3.1.1.8 (cholinesterase) inhibitor; EC 3.6.3.8 (Ca(2+)-transporting ATPase) inhibitor; local anaesthetic
plerixafor	[no description available]	medium	1	0	azacycloalkane; azamacrocycle; benzenes; crown amine; secondary amino compound; tertiary amino compound	anti-HIV agent; antineoplastic agent; C-X-C chemokine receptor type 4 antagonist; immunological adjuvant
amprenavir	[no description available]	medium	1	0	carbamate ester; sulfonamide; tetrahydrofuryl ester	antiviral drug; HIV protease inhibitor
ticlopidine hydrochloride	[no description available]	medium	1	0	hydrochloride
epirubicin hydrochloride	[no description available]	medium	1	0
pazufloxacin	[no description available]	medium	1	0	quinolines
repaglinide	[no description available]	medium	2	0	piperidines
miconazole nitrate	[no description available]	medium	1	0
zoledronic acid	[no description available]	medium	1	0	1,1-bis(phosphonic acid); imidazoles	bone density conservation agent
artemisinin	[no description available]	medium	1	0	organic peroxide; sesquiterpene lactone	antimalarial; plant metabolite
brinzolamide	[no description available]	medium	1	0	sulfonamide; thienothiazine	antiglaucoma drug; EC 4.2.1.1 (carbonic anhydrase) inhibitor
drospirenone	[no description available]	medium	1	0	3-oxo-Delta(4) steroid; steroid lactone	aldosterone antagonist; contraceptive drug; progestin
artemether	[no description available]	medium	1	0	artemisinin derivative; cyclic acetal; organic peroxide; semisynthetic derivative; sesquiterpenoid	antimalarial
uk 68798	[no description available]	medium	1	0	aromatic ether; sulfonamide; tertiary amino compound	anti-arrhythmia drug; potassium channel blocker
hp 873	[no description available]	medium	1	0	1,2-benzoxazoles; aromatic ether; aromatic ketone; methyl ketone; monoamine; organofluorine compound; piperidines; tertiary amino compound	dopaminergic antagonist; second generation antipsychotic; serotonergic antagonist
voriconazole	[no description available]	medium	1	0	conazole antifungal drug; difluorobenzene; pyrimidines; tertiary alcohol; triazole antifungal drug	P450 inhibitor
betamipron	[no description available]	medium	1	0	organonitrogen compound; organooxygen compound
uroxatral	[no description available]	medium	1	0	hydrochloride
aceclofenac	[no description available]	medium	1	0	amino acid; carboxylic ester; dichlorobenzene; monocarboxylic acid; secondary amino compound	EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor; non-narcotic analgesic; non-steroidal anti-inflammatory drug
thiocolchicoside	[no description available]	medium	1	0	glycoside
doripenem	[no description available]	medium	1	0	carbapenems
tamiflu	[no description available]	medium	1	0	phosphate salt
bexarotene	[no description available]	medium	1	0	benzoic acids; naphthalenes; retinoid	antineoplastic agent
s20098	[no description available]	medium	2	0	acetamides
flunisolide	[no description available]	medium	1	0	11beta-hydroxy steroid; 20-oxo steroid; 21-hydroxy steroid; 3-oxo-Delta(1),Delta(4)-steroid; cyclic ketal; fluorinated steroid; primary alpha-hydroxy ketone	anti-asthmatic drug; anti-inflammatory drug; immunosuppressive agent
gliquidone	[no description available]	medium	1	0	isoquinolines
moxifloxacin hydrochloride	[no description available]	medium	1	0	hydrochloride	antibacterial drug
sr141716	[no description available]	medium	2	0	amidopiperidine; carbohydrazide; dichlorobenzene; monochlorobenzenes; pyrazoles	anti-obesity agent; appetite depressant; CB1 receptor antagonist
racecadotril	[no description available]	medium	1	0	N-acyl-amino acid
plavix	[no description available]	medium	1	0	azaheterocycle sulfate salt; organoammonium sulfate salt	anticoagulant; P2Y12 receptor antagonist; platelet aggregation inhibitor
clofarabine	[no description available]	medium	1	0	adenosines; organofluorine compound	antimetabolite; antineoplastic agent
pramipexole	[no description available]	medium	3	0	benzothiazoles; diamine	antidyskinesia agent; antiparkinson drug; dopamine agonist; radical scavenger
mk 0663	[no description available]	medium	1	0	bipyridines; organochlorine compound; sulfone	cyclooxygenase 2 inhibitor; non-steroidal anti-inflammatory drug
desloratadine	[no description available]	medium	1	0	benzocycloheptapyridine	anti-allergic agent; cholinergic antagonist; drug metabolite; H1-receptor antagonist
sulbactam	[no description available]	medium	1	0	penicillanic acids
olmesartan medoxomil	[no description available]	medium	1	0	biphenyls
abiraterone	[no description available]	medium	1	0	3beta-hydroxy-Delta(5)-steroid; 3beta-sterol; pyridines	antineoplastic agent; EC 1.14.99.9 (steroid 17alpha-monooxygenase) inhibitor
febuxostat	[no description available]	medium	2	0	1,3-thiazolemonocarboxylic acid; aromatic ether; nitrile	EC 1.17.3.2 (xanthine oxidase) inhibitor
lexapro	[no description available]	medium	1	0
docetaxel anhydrous	[no description available]	high	2	0	secondary alpha-hydroxy ketone; tetracyclic diterpenoid	antimalarial; antineoplastic agent; photosensitizing agent
ezetimibe	[no description available]	medium	1	0	azetidines; beta-lactam; organofluorine compound	anticholesteremic drug; antilipemic drug; antimetabolite
xamoterol	[no description available]	medium	1	0	morpholines
telbivudine	[no description available]	medium	1	0	pyrimidine 2'-deoxyribonucleoside	antiviral drug; EC 2.7.7.49 (RNA-directed DNA polymerase) inhibitor
ramelteon	[no description available]	medium	1	0	indanes
deferasirox	[no description available]	medium	1	0	benzoic acids; monocarboxylic acid; phenols; triazoles	iron chelator
bms204352	[no description available]	medium	1	0
tbc-11251	[no description available]	medium	1	0	benzodioxoles
tolvaptan	[no description available]	medium	1	0	benzazepine; benzenedicarboxamide	aquaretic; vasopressin receptor antagonist
lenalidomide	[no description available]	high	2	0	aromatic amine; dicarboximide; isoindoles; piperidones	angiogenesis inhibitor; antineoplastic agent; immunomodulator
lacosamide	[no description available]	medium	2	0	N-acyl-amino acid
vincaleukoblastine	[no description available]	high	1	0	acetate ester; indole alkaloid fundamental parent; methyl ester; organic heteropentacyclic compound; organic heterotetracyclic compound; tertiary alcohol; tertiary amino compound; vinca alkaloid	antineoplastic agent; immunosuppressive agent; microtubule-destabilising agent; plant metabolite
bortezomib	[no description available]	high	4	0	amino acid amide; L-phenylalanine derivative; pyrazines	antineoplastic agent; antiprotozoal drug; protease inhibitor; proteasome inhibitor
pentostatin	[no description available]	medium	1	0	coformycins	antimetabolite; antineoplastic agent; Aspergillus metabolite; bacterial metabolite; EC 3.5.4.4 (adenosine deaminase) inhibitor
meropenem	[no description available]	medium	1	0	alpha,beta-unsaturated monocarboxylic acid; carbapenemcarboxylic acid; organic sulfide; pyrrolidinecarboxamide	antibacterial agent; antibacterial drug; drug allergen
perindopril erbumine	[no description available]	medium	1	0	addition compound	antihypertensive agent; EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor
miglitol	[no description available]	medium	1	0	piperidines
rocuronium bromide	[no description available]	medium	1	0	organic bromide salt; quaternary ammonium salt	muscle relaxant; neuromuscular agent
pemirolast potassium salt	[no description available]	medium	1	0
eplerenone	[no description available]	medium	1	0	3-oxo-Delta(4) steroid; epoxy steroid; gamma-lactone; methyl ester; organic heteropentacyclic compound; oxaspiro compound; steroid acid ester	aldosterone antagonist; antihypertensive agent
ao 128	[no description available]	medium	1	0	organic molecular entity
loteprednol etabonate	[no description available]	medium	1	0	11beta-hydroxy steroid; 3-oxo-Delta(1),Delta(4)-steroid; etabonate ester; organochlorine compound; steroid acid ester; steroid ester	anti-inflammatory drug
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
tacrolimus	[no description available]	medium	4	0	macrolide lactam	bacterial metabolite; immunosuppressive agent
mupirocin	[no description available]	medium	1	0	alpha,beta-unsaturated carboxylic ester; epoxide; monocarboxylic acid; oxanes; secondary alcohol; triol	antibacterial drug; bacterial metabolite; protein synthesis inhibitor
decitabine	[no description available]	medium	2	0	2'-deoxyribonucleoside
teniposide	[no description available]	medium	1	0	aromatic ether; beta-D-glucoside; cyclic acetal; furonaphthodioxole; gamma-lactone; monosaccharide derivative; phenols; thiophenes	antineoplastic agent; EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor
valrubicin	[no description available]	medium	1	0	anthracycline; trifluoroacetamide
posaconazole	[no description available]	medium	1	0	aromatic ether; conazole antifungal drug; N-arylpiperazine; organofluorine compound; oxolanes; triazole antifungal drug; triazoles	trypanocidal drug
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
arginine vasopressin	[no description available]	medium	2	0	vasopressin	cardiovascular drug; hematologic agent; mitogen
trilostane	[no description available]	medium	1	0	17beta-hydroxy steroid; 3-hydroxy steroid; androstanoid; epoxy steroid; nitrile	abortifacient; antineoplastic agent; EC 1.1.1.210 [3beta(or 20alpha)-hydroxysteroid dehydrogenase] inhibitor
leuprolide acetate	[no description available]	medium	1	0	acetate salt	antineoplastic agent; gonadotropin releasing hormone agonist
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
eszopiclone	[no description available]	medium	1	0	zopiclone	central nervous system depressant; sedative
epalrestat	[no description available]	medium	1	0	monocarboxylic acid; thiazolidines	EC 1.1.1.21 (aldehyde reductase) inhibitor
drotaverin	[no description available]	medium	1	0	isoquinolines
latoconazole	[no description available]	medium	1	0	conazole antifungal drug; imidazole antifungal drug
maraviroc	[no description available]	medium	1	0	tropane alkaloid
toremifene citrate	[no description available]	medium	1	0	stilbenoid	anticoronaviral agent
nelarabine	[no description available]	medium	1	0	beta-D-arabinoside; monosaccharide derivative; purine nucleoside	antineoplastic agent; DNA synthesis inhibitor; prodrug
gestodene	[no description available]	medium	1	0	steroid	estrogen
azilect	[no description available]	medium	1	0
dasatinib	[no description available]	medium	1	0	1,3-thiazoles; aminopyrimidine; monocarboxylic acid amide; N-(2-hydroxyethyl)piperazine; N-arylpiperazine; organochlorine compound; secondary amino compound; tertiary amino compound	anticoronaviral agent; antineoplastic agent; tyrosine kinase inhibitor
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
oxymetholone	[no description available]	medium	1	0
dexchlorpheniramine maleate	[no description available]	medium	1	0	organic molecular entity
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
travoprost	[no description available]	medium	1	0	(trifluoromethyl)benzenes; isopropyl ester; prostaglandins Falpha	antiglaucoma drug; antihypertensive agent; ophthalmology drug; prodrug; prostaglandin receptor agonist
imipenem	[no description available]	medium	1	0	carbapenems
etretinate	[no description available]	medium	1	0	enoate ester; ethyl ester; retinoid	keratolytic drug
dinoprost tromethamine	[no description available]	medium	1	0	organic molecular entity
rosuvastatin calcium	[no description available]	medium	1	0	N-acyl-15-methylhexadecasphinganine-1-phosphoethanolamine; organic calcium salt	anti-inflammatory agent; cardioprotective agent; CETP inhibitor
terbinafine hydrochloride	[no description available]	medium	1	0	allylamine antifungal drug; hydrochloride	EC 1.14.13.132 (squalene monooxygenase) inhibitor; P450 inhibitor
levetiracetam	[no description available]	medium	2	0	pyrrolidin-2-ones	anticonvulsant; environmental contaminant; xenobiotic
naloxone	[no description available]	high	4	0	morphinane alkaloid; organic heteropentacyclic compound; tertiary alcohol	antidote to opioid poisoning; central nervous system depressant; mu-opioid receptor antagonist
demycarosylturimycin h	[no description available]	medium	1	0
acipimox	[no description available]	medium	1	0	pyrazinecarboxylic acid
atosiban	[no description available]	medium	1	0	oligopeptide
bimatoprost	[no description available]	medium	1	0	monocarboxylic acid amide	antiglaucoma drug; antihypertensive agent
latanoprost	[no description available]	medium	1	0	isopropyl ester; prostaglandins Falpha; triol	antiglaucoma drug; antihypertensive agent; EC 4.2.1.1 (carbonic anhydrase) inhibitor; prodrug
nateglinide	[no description available]	medium	1	0	phenylalanine derivative
butorphanol	[no description available]	medium	1	0	morphinane alkaloid	antitussive; kappa-opioid receptor agonist; mu-opioid receptor agonist; opioid analgesic
cefixime	[no description available]	medium	1	0	cephalosporin	antibacterial drug; drug allergen
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 maleate	[no description available]	medium	1	0	maleate salt	antihypertensive agent; EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor; prodrug
enalaprilat anhydrous	[no description available]	medium	1	0	dicarboxylic acid; dipeptide	antihypertensive agent; EC 3.4.15.1 (peptidyl-dipeptidase A) 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
pregabalin	[no description available]	medium	1	0	gamma-amino acid	anticonvulsant; calcium channel blocker
alvimopan anhydrous	[no description available]	medium	1	0	peptide
cci 15641	[no description available]	medium	1	0	cephalosporin
tenofovir disoproxil fumarate	[no description available]	medium	1	0	fumarate salt	antiviral drug; HIV-1 reverse transcriptase inhibitor; prodrug
dexbrompheniramine maleate	[no description available]	medium	1	0	brompheniramine maleate	anti-allergic agent; H1-receptor antagonist
rifaximin	[no description available]	medium	1	0	acetate ester; cyclic ketal; lactam; macrocycle; organic heterohexacyclic compound; rifamycins; semisynthetic derivative	antimicrobial agent; gastrointestinal drug; orphan drug
everolimus	[no description available]	medium	1	0	cyclic acetal; cyclic ketone; ether; macrolide lactam; primary alcohol; secondary alcohol	anticoronaviral agent; antineoplastic agent; geroprotector; immunosuppressive agent; mTOR inhibitor
cefpodoxime proxetil	[no description available]	medium	1	0	carboxylic acid; carboxylic ester; cephalosporin	antibacterial drug; prodrug
fluphenazine	[no description available]	medium	1	0
cefdinir	[no description available]	medium	1	0	cephalosporin; ketoxime	antibacterial drug
etoposide phosphate	[no description available]	medium	1	0	furonaphthodioxole
ciclesonide	[no description available]	medium	1	0	organic molecular entity
temsirolimus	[no description available]	medium	1	0	macrolide lactam
dutasteride	[no description available]	medium	1	0	(trifluoromethyl)benzenes; aza-steroid; delta-lactam	antihyperplasia drug; EC 1.3.1.22 [3-oxo-5alpha-steroid 4-dehydrogenase (NADP(+))] inhibitor
tekturna	[no description available]	medium	1	0	fumarate salt	antihypertensive agent
vildagliptin	[no description available]	medium	2	0	amino acid amide
sgd 301-76	[no description available]	medium	1	0	conazole antifungal drug; imidazole antifungal drug; organic nitrate salt	antiinfective agent
thioacetazone	[no description available]	medium	1	0
dexlansoprazole	[no description available]	medium	1	0	benzimidazoles; sulfoxide
gemifloxacin mesylate	[no description available]	medium	1	0	methanesulfonate salt	antimicrobial agent; topoisomerase IV inhibitor
rivaroxaban	[no description available]	medium	1	0	aromatic amide; lactam; monocarboxylic acid amide; morpholines; organochlorine compound; oxazolidinone; thiophenes	anticoagulant; EC 3.4.21.6 (coagulation factor Xa) inhibitor
hki 272	[no description available]	medium	1	0	nitrile; quinolines	antineoplastic agent; tyrosine kinase inhibitor
tofacitinib	[no description available]	medium	1	0	N-acylpiperidine; nitrile; pyrrolopyrimidine; tertiary amino compound	antirheumatic drug; EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor
pazopanib	[no description available]	medium	2	0	aminopyrimidine; indazoles; sulfonamide	angiogenesis modulating agent; antineoplastic agent; tyrosine kinase inhibitor; vascular endothelial growth factor receptor antagonist
amg 009	[no description available]	medium	1	0
losartan potassium	[no description available]	medium	5	0
dactolisib	[no description available]	medium	1	0	imidazoquinoline; nitrile; quinolines; ring assembly; ureas	antineoplastic agent; EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor; mTOR inhibitor
rabeprazole sodium	[no description available]	medium	1	0	organic sodium salt
bivalirudin	[no description available]	medium	1	0	polypeptide	anticoagulant; EC 3.4.21.5 (thrombin) inhibitor
somatostatin	[no description available]	medium	1	0	heterodetic cyclic peptide; peptide hormone
ly-146032	[no description available]	medium	1	0	heterodetic cyclic peptide; lipopeptide antibiotic; lipopeptide; macrocycle; macrolide	antibacterial drug; bacterial metabolite; calcium-dependent antibiotics
warfarin sodium	[no description available]	medium	1	0
pravastatin sodium	[no description available]	medium	1	0	organic sodium salt; statin (semi-synthetic)	anticholesteremic drug
alendronate sodium	[no description available]	medium	1	0
sl 80.0750	[no description available]	medium	1	0
mesna	[no description available]	medium	1	0	organosulfonic acid
clavulanate potassium	[no description available]	medium	1	0	potassium salt	antibacterial drug; antimicrobial agent; EC 3.5.2.6 (beta-lactamase) inhibitor
piperacillin sodium	[no description available]	medium	1	0	organic sodium salt
oxacillin sodium	[no description available]	medium	1	0	organic sodium salt
roquinimex	[no description available]	medium	1	0	aromatic amide
mobiflex	[no description available]	medium	1	0	heteroaryl hydroxy compound; monocarboxylic acid amide; pyridines; thienothiazine	antipyretic; EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor; non-narcotic analgesic; non-steroidal anti-inflammatory drug
tigecycline	[no description available]	medium	1	0
lornoxicam	[no description available]	medium	1	0	heteroaryl hydroxy compound; monocarboxylic acid amide; organochlorine compound; pyridines; thienothiazine	antipyretic; non-narcotic analgesic; non-steroidal anti-inflammatory drug
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
valtrex	[no description available]	medium	1	0	organic molecular entity
raltitrexed	[no description available]	medium	1	0	N-acyl-amino acid
rifapentine	[no description available]	medium	1	0	N-alkylpiperazine; N-iminopiperazine; rifamycins	antitubercular agent; leprostatic drug
sildenafil citrate	[no description available]	medium	2	0	citrate salt	EC 3.1.4.35 (3',5'-cyclic-GMP phosphodiesterase) inhibitor; vasodilator agent
aprepitant	[no description available]	medium	2	0	(trifluoromethyl)benzenes; cyclic acetal; morpholines; triazoles	antidepressant; antiemetic; neurokinin-1 receptor antagonist; peripheral nervous system drug; substance P receptor antagonist
tegaserod maleate	[no description available]	medium	1	0	maleate salt	serotonergic agonist
alpha-tocopherol succinate	[no description available]	medium	1	0	hemisuccinate; tocol
alpha-tocopherol acetate	[no description available]	medium	1	0	tocol
gallic acid	[no description available]	high	2	0	trihydroxybenzoic acid	antineoplastic agent; antioxidant; apoptosis inducer; astringent; cyclooxygenase 2 inhibitor; EC 1.13.11.33 (arachidonate 15-lipoxygenase) inhibitor; geroprotector; human xenobiotic metabolite; plant metabolite
carbonyl cyanide m-chlorophenyl hydrazone	[no description available]	medium	97	0	hydrazone; monochlorobenzenes; nitrile	antibacterial agent; geroprotector; ionophore
triphenylphosphine	[no description available]	medium	1	0	benzenes; tertiary phosphine	NMR chemical shift reference compound; reducing agent
lauryl gallate	[no description available]	medium	1	0	gallate ester
octyl gallate	[no description available]	medium	1	0	gallate ester	food antioxidant; hypoglycemic agent; plant metabolite
promazine	[no description available]	medium	1	0	phenothiazines; tertiary amine	antiemetic; dopaminergic antagonist; EC 3.4.21.26 (prolyl oligopeptidase) inhibitor; H1-receptor antagonist; muscarinic antagonist; phenothiazine antipsychotic drug; serotonergic antagonist
trifluoromethylphenothiazine	[no description available]	medium	1	0	phenothiazines
medicarpin, (6as-cis)-isomer	[no description available]	medium	1	0	medicarpin
leachianone g	[no description available]	medium	1	0	(2S)-flavan-4-one; 4'-hydroxyflavanones; tetrahydroxyflavanone
8-hydroxy-2-(di-n-propylamino)tetralin	[no description available]	medium	1	0	phenols; tertiary amino compound; tetralins	serotonergic antagonist
bmy 7378	[no description available]	medium	1	0	piperazines
n-(2-(4-(2-methoxyphenyl)-1-piperazinyl)ethyl)-n-(2-pyridinyl)cyclohexanecarboxamide	[no description available]	medium	1	0	piperazines
oligomycin a	[no description available]	medium	9	0	antibiotic antifungal agent; diketone; oligomycin; pentol	antineoplastic agent; EC 3.6.3.14 (H(+)-transporting two-sector ATPase) inhibitor; nematicide
xanthoangelol	[no description available]	medium	1	0
amorphastilbol	[no description available]	medium	1	0
(6aS,12aS)-9-hydroxy-2,3-dimethoxy-8-(3-methylbut-2-enyl)-6a,12a-dihydro-6H-[1]benzopyrano[3,4-b][1]benzopyran-12-one	[no description available]	medium	2	0	rotenones
amorfrutin a	[no description available]	medium	1	0	stilbenoid
deoxyglucose	[no description available]	medium	1	0	2-deoxy-D-glucose	metabolite
fh535	[no description available]	medium	1	0	sulfonamide
icg 001	[no description available]	medium	1	0	peptide
3-methylbutanoic acid [(2R,3S,6S,7R)-3-[[(3-formamido-2-hydroxyphenyl)-oxomethyl]amino]-8-hexyl-2,6-dimethyl-4,9-dioxo-1,5-dioxonan-7-yl] ester	[no description available]	medium	1	0	N-acyl-amino acid
a 769662	[no description available]	medium	1	0	biphenyls
amorphigenin	[no description available]	medium	5	0	rotenones
chelerythrine	[no description available]	medium	4	0	benzophenanthridine alkaloid; organic cation	antibacterial agent; antineoplastic agent; EC 2.7.11.13 (protein kinase C) inhibitor
chelirubine	[no description available]	medium	1	0	benzophenanthridine alkaloid; organic cation
3-O-feruloyl-D-quinic acid	[no description available]	medium	1	0	enoate ester; quinic acid	plant metabolite
apoptolidin	[no description available]	medium	1	0
bay 87-2243	[no description available]	medium	1	0
octanoic acid	[no description available]	medium	5	0	medium-chain fatty acid; straight-chain saturated fatty acid	antibacterial agent; Escherichia coli metabolite; human metabolite
caprylates	[no description available]	medium	11	0	fatty acid anion 8:0; straight-chain saturated fatty acid anion	human metabolite; Saccharomyces cerevisiae metabolite
cyclosporine	[no description available]	medium	37	0
6-hydroxy-2,5,7,8-tetramethylchroman-2-carboxylic acid	[no description available]	medium	9	0	chromanol; monocarboxylic acid; phenols	antioxidant; ferroptosis inhibitor; neuroprotective agent; radical scavenger; Wnt signalling inhibitor
glutamic acid	[no description available]	medium	65	0	glutamic acid; glutamine family amino acid; L-alpha-amino acid; proteinogenic amino acid	Escherichia coli metabolite; ferroptosis inducer; micronutrient; mouse metabolite; neurotransmitter; nutraceutical
1,5-anhydrofructose	[no description available]	medium	1	0	3-pyrones; anhydrohexose; cyclic ether; cyclic ketone; organic heterocyclic compound; triol
D-fructopyranose	[no description available]	medium	17	0	cyclic hemiketal; D-fructose; fructopyranose	sweetening agent
cyclin d1	[no description available]	medium	4	0
glucose, (beta-d)-isomer	[no description available]	medium	12	0	D-glucopyranose	epitope; mouse metabolite
stilbenes	[no description available]	medium	13	0	stilbene
oxidopamine	[no description available]	medium	73	0	benzenetriol; catecholamine; primary amino compound	drug metabolite; human metabolite; neurotoxin
phenylethyl alcohol	[no description available]	medium	4	0	benzenes; primary alcohol	Aspergillus metabolite; fragrance; plant growth retardant; plant metabolite; Saccharomyces cerevisiae metabolite
3,4-dihydroxyphenylethanol	[no description available]	medium	4	0	catechols; primary alcohol	antineoplastic agent; antioxidant; metabolite
sq-23377	[no description available]	medium	6	0	cyclic ether; enol; polyunsaturated fatty acid; very long-chain fatty acid	calcium ionophore; metabolite
alpha-synuclein	[no description available]	medium	186	0
butyric acid	[no description available]	medium	8	0	fatty acid 4:0; straight-chain saturated fatty acid	human urinary metabolite; Mycoplasma genitalium metabolite
methamphetamine	[no description available]	medium	6	0	amphetamines; secondary amine	central nervous system stimulant; environmental contaminant; neurotoxin; psychotropic drug; xenobiotic
theanine	[no description available]	medium	2	0	amino acid zwitterion; N(5)-alkyl-L-glutamine	geroprotector; neuroprotective agent; plant metabolite
1-methyl-4-phenyl-1,2,3,6-tetrahydropyridine	[no description available]	medium	55	0	methylpyridines; phenylpyridine; tetrahydropyridine	neurotoxin
mogroside v	[no description available]	medium	1	0
4-hydroxy-2-nonenal	[no description available]	medium	6	0	4-hydroxynon-2-enal; 4-hydroxynonenal
curcumin	[no description available]	medium	26	0	aromatic ether; beta-diketone; diarylheptanoid; enone; polyphenol	anti-inflammatory agent; antifungal agent; antineoplastic agent; biological pigment; contraceptive drug; dye; EC 1.1.1.205 (IMP dehydrogenase) inhibitor; EC 1.1.1.21 (aldehyde reductase) inhibitor; EC 1.1.1.25 (shikimate dehydrogenase) inhibitor; EC 1.6.5.2 [NAD(P)H dehydrogenase (quinone)] inhibitor; EC 1.8.1.9 (thioredoxin reductase) inhibitor; EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor; EC 3.5.1.98 (histone deacetylase) inhibitor; flavouring agent; food colouring; geroprotector; hepatoprotective agent; immunomodulator; iron chelator; ligand; lipoxygenase inhibitor; metabolite; neuroprotective agent; nutraceutical; radical scavenger
boron	[no description available]	medium	2	0	boron group element atom; metalloid atom; nonmetal atom	micronutrient
3-pyridinylboronic acid	[no description available]	medium	1	0
vasoactive intestinal peptide	[no description available]	medium	2	0
3-hydroxyflavone	[no description available]	medium	7	0	flavonols; monohydroxyflavone
dimethyl sulfoxide	[no description available]	medium	14	0	sulfoxide; volatile organic compound	alkylating agent; antidote; Escherichia coli metabolite; geroprotector; MRI contrast agent; non-narcotic analgesic; polar aprotic solvent; radical scavenger
catechin	[no description available]	medium	10	0	catechin	antioxidant; plant metabolite
linagliptin	[no description available]	medium	2	0	aminopiperidine; quinazolines	EC 3.4.14.5 (dipeptidyl-peptidase IV) inhibitor; hypoglycemic agent
mangostin	[no description available]	medium	3	0	aromatic ether; phenols; xanthones	antimicrobial agent; antineoplastic agent; antioxidant; plant metabolite
evodiamine	[no description available]	medium	1	0	beta-carbolines
cysteine	[no description available]	medium	14	0	cysteinium	fundamental metabolite
alpha-linolenic acid	[no description available]	medium	1	0	linolenic acid; omega-3 fatty acid	micronutrient; mouse metabolite; nutraceutical
trehalose	[no description available]	medium	5	0	trehalose	Escherichia coli metabolite; geroprotector; human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite
benzothiazoline	[no description available]	medium	1	0
empagliflozin	[no description available]	medium	2	0	aromatic ether; C-glycosyl compound; monochlorobenzenes; tetrahydrofuryl ether	hypoglycemic agent; sodium-glucose transport protein subtype 2 inhibitor
phenol	[no description available]	medium	1	0	phenols	antiseptic drug; disinfectant; human xenobiotic metabolite; mouse metabolite
sucrose	[no description available]	medium	32	0	glycosyl glycoside	algal metabolite; Escherichia coli metabolite; human metabolite; mouse metabolite; osmolyte; Saccharomyces cerevisiae metabolite; sweetening agent
glycitein	[no description available]	medium	1	0	7-hydroxyisoflavone; methoxyisoflavone	fungal metabolite; phytoestrogen; plant metabolite
nardosinone	[no description available]	medium	1	0
n,n-dimethylaniline	[no description available]	medium	1	0	dimethylaniline; tertiary amine
nad	[no description available]	medium	461	0	organophosphate oxoanion	cofactor; human metabolite; hydrogen acceptor; Saccharomyces cerevisiae metabolite
pyruvic acid	[no description available]	medium	38	0	2-oxo monocarboxylic acid	cofactor; fundamental metabolite
methanol	[no description available]	medium	5	0	alkyl alcohol; one-carbon compound; primary alcohol; volatile organic compound	amphiprotic solvent; Escherichia coli metabolite; fuel; human metabolite; mouse metabolite; Mycoplasma genitalium metabolite
nootkatone	[no description available]	medium	1	0	carbobicyclic compound; enone; sesquiterpenoid	fragrance; insect repellent; plant metabolite
serine	[no description available]	medium	6	0	L-alpha-amino acid; proteinogenic amino acid; serine family amino acid; serine zwitterion; serine	algal metabolite; Escherichia coli metabolite; human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite
hydroxyproline	[no description available]	medium	1	0	4-hydroxyproline; L-alpha-amino acid zwitterion	human metabolite; mouse metabolite; plant metabolite
methionine	[no description available]	medium	6	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
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
alanine	[no description available]	medium	5	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
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
chitosan	[no description available]	medium	5	0
thioctic acid	[no description available]	medium	8	0	dithiolanes; heterocyclic fatty acid; thia fatty acid	fundamental metabolite; geroprotector
glucagon-like peptide 1	[no description available]	medium	2	0
flibanserin	[no description available]	medium	1	0	benzimidazoles; N-alkylpiperazine; N-arylpiperazine; organofluorine compound	antidepressant; serotonergic agonist; serotonergic antagonist
anethole	[no description available]	medium	3	0	anethole	flavouring agent
metallothionein	[no description available]	medium	6	0
galactose	[no description available]	medium	10	0	D-galactose; galactopyranose	Escherichia coli metabolite; mouse metabolite
oligomycins	[no description available]	medium	329	0
pyrethrins	[no description available]	medium	13	1
phencyclidine	[no description available]	medium	3	0	benzenes; piperidines	anaesthetic; neurotoxin; NMDA receptor antagonist; psychotropic drug
ornithylaspartate	[no description available]	medium	1	0
ornithine	[no description available]	medium	6	0	non-proteinogenic L-alpha-amino acid; ornithine	algal metabolite; hepatoprotective agent; mouse metabolite
dieldrin	[no description available]	medium	10	0	epoxide; organochlorine compound; organochlorine insecticide	carcinogenic agent; xenobiotic
manganese	[no description available]	medium	18	0	elemental manganese; manganese group element atom	Escherichia coli metabolite; micronutrient
vanadium	[no description available]	medium	4	0	elemental vanadium; vanadium group element atom	micronutrient
ddt	[no description available]	medium	14	0	benzenoid aromatic compound; chlorophenylethane; monochlorobenzenes; organochlorine insecticide	bridged diphenyl acaricide; carcinogenic agent; endocrine disruptor; persistent organic pollutant
1,1,1-trichloroethane	[no description available]	medium	1	0	chloroethanes	polar solvent
veratridine	[no description available]	medium	7	0
agmatine	[no description available]	medium	6	0	guanidines; primary amino compound	Escherichia coli metabolite; mouse metabolite
antimycin a	[no description available]	medium	641	1	amidobenzoic acid
myxothiazol	[no description available]	medium	38	0
thiazoles	[no description available]	medium	62	0	1,3-thiazoles; mancude organic heteromonocyclic parent; monocyclic heteroarene
glucuronic acid	[no description available]	medium	1	0	D-glucuronic acid	algal metabolite
trans-4-coumaric acid	[no description available]	medium	1	0	4-coumaric acid	food component; mouse metabolite; plant metabolite
malondialdehyde	[no description available]	medium	24	0	dialdehyde	biomarker
calpain	[no description available]	medium	8	0
chloroethylaminouracil	[no description available]	medium	1	0
bilirubin	[no description available]	medium	5	0	biladienes; dicarboxylic acid	antioxidant; human metabolite; mouse metabolite
cholecalciferol	[no description available]	medium	1	0	D3 vitamins; hydroxy seco-steroid; seco-cholestane; secondary alcohol; steroid hormone	geroprotector; human metabolite
vitamin b 12	[no description available]	medium	2	0
myrcene	[no description available]	medium	1	0	monoterpene	anabolic agent; anti-inflammatory agent; flavouring agent; fragrance; plant metabolite; volatile oil component
benzo(a)pyrene	[no description available]	medium	4	0	ortho- and peri-fused polycyclic arene	carcinogenic agent; mouse metabolite
lithium	[no description available]	medium	14	0	alkali metal atom
roflumilast	[no description available]	medium	2	0	aromatic ether; benzamides; chloropyridine; cyclopropanes; organofluorine compound	anti-asthmatic drug; phosphodiesterase IV inhibitor
cordycepin	[no description available]	medium	3	0	3'-deoxyribonucleoside; adenosines	antimetabolite; nucleoside antibiotic
nadp	[no description available]	medium	135	0
oleuropein	[no description available]	medium	2	0	beta-D-glucoside; catechols; diester; methyl ester; pyrans; secoiridoid glycoside	anti-inflammatory agent; antihypertensive agent; antineoplastic agent; antioxidant; apoptosis inducer; NF-kappaB inhibitor; nutraceutical; plant metabolite; radical scavenger
boric acid	[no description available]	medium	1	0	boric acids	astringent
isatin	[no description available]	medium	3	0	indoledione	EC 1.4.3.4 (monoamine oxidase) inhibitor; plant metabolite
beta carotene	[no description available]	medium	2	0	carotenoid beta-end derivative; cyclic carotene	antioxidant; biological pigment; cofactor; ferroptosis inhibitor; human metabolite; mouse metabolite; plant metabolite; provitamin A
limonene	[no description available]	medium	2	0	cycloalkene; p-menthadiene	human metabolite
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
carbaryl	[no description available]	medium	4	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
azd5438	[no description available]	medium	1	0	sulfonamide
cmx 001	[no description available]	medium	1	0
buparvaquone	[no description available]	medium	1	0
brequinar	[no description available]	medium	1	0	biphenyls; monocarboxylic acid; monofluorobenzenes; quinolinemonocarboxylic acid	anticoronaviral agent; antimetabolite; antineoplastic agent; antiviral agent; EC 1.3.5.2 [dihydroorotate dehydrogenase (quinone)] inhibitor; immunosuppressive agent; pyrimidine synthesis inhibitor
monensin	[no description available]	medium	6	0	cyclic hemiketal; monocarboxylic acid; polyether antibiotic; spiroketal	antifungal agent; coccidiostat; ionophore
avn 944	[no description available]	medium	1	0
dimethyl fumarate	[no description available]	medium	1	0	diester; enoate ester; methyl ester	antipsoriatic; immunomodulator
dyclonine	[no description available]	medium	1	0	aromatic ketone; piperidines	topical anaesthetic
geniposide	[no description available]	medium	1	0	terpene glycoside
selegiline	[no description available]	medium	5	0	selegiline; terminal acetylenic compound	geroprotector
fluorides	[no description available]	medium	15	1	halide anion; monoatomic fluorine
itaconic acid	[no description available]	medium	2	0	dicarboxylic acid; dicarboxylic fatty acid; olefinic compound	fungal metabolite; human metabolite
ng-nitroarginine methyl ester	[no description available]	medium	12	0	alpha-amino acid ester; L-arginine derivative; methyl ester; N-nitro compound	EC 1.14.13.39 (nitric oxide synthase) inhibitor
morphine	[no description available]	medium	3	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
phosphatidylcholines	[no description available]	medium	6	0	1,2-diacyl-sn-glycero-3-phosphocholine
sm 346	[no description available]	medium	2	0
trans-2,3',4,5'-tetrahydroxystilbene	[no description available]	medium	1	0	stilbenoid
edaravone	[no description available]	medium	2	0	pyrazolone	antioxidant; radical scavenger
phenyl acetate	[no description available]	medium	38	0	benzenes; phenyl acetates
methyl jasmonate	[no description available]	medium	2	0
cyclopentane	[no description available]	medium	3	0	cycloalkane; cyclopentanes; volatile organic compound	non-polar solvent
deoxyglucose	[no description available]	medium	52	0
flavin-adenine dinucleotide	[no description available]	medium	16	0	flavin adenine dinucleotide; vitamin B2	cofactor; Escherichia coli metabolite; human metabolite; mouse metabolite; prosthetic group
bromopyruvate	[no description available]	medium	1	0	2-oxo monocarboxylic acid anion
arsenic	[no description available]	medium	46	0	metalloid atom; pnictogen	micronutrient
aminoimidazole carboxamide	[no description available]	medium	7	0	aminoimidazole; monocarboxylic acid amide	mouse metabolite
aica ribonucleotide	[no description available]	medium	7	0	1-(phosphoribosyl)imidazolecarboxamide; aminoimidazole	cardiovascular drug; Escherichia coli metabolite; human metabolite; mouse metabolite; plant metabolite; Saccharomyces cerevisiae metabolite
thiourea	[no description available]	medium	10	0	one-carbon compound; thioureas; ureas	antioxidant; chromophore
pimagedine	[no description available]	medium	2	0	guanidines; one-carbon compound	EC 1.14.13.39 (nitric oxide synthase) inhibitor; EC 1.4.3.4 (monoamine oxidase) inhibitor
salubrinal	[no description available]	medium	4	0	aminal; organochlorine compound; quinolines; secondary carboxamide; thioureas
piperidines	[no description available]	medium	10	0
ropinirole	[no description available]	medium	3	0	indolones; tertiary amine	antidyskinesia agent; antiparkinson drug; central nervous system drug; dopamine agonist
nitrites	[no description available]	medium	11	0	monovalent inorganic anion; nitrogen oxoanion; reactive nitrogen species	human metabolite
berberine	[no description available]	high	4	0	alkaloid antibiotic; berberine alkaloid; botanical anti-fungal agent; organic heteropentacyclic compound	antilipemic drug; antineoplastic agent; antioxidant; EC 1.1.1.141 [15-hydroxyprostaglandin dehydrogenase (NAD(+))] inhibitor; EC 1.1.1.21 (aldehyde reductase) inhibitor; EC 1.13.11.52 (indoleamine 2,3-dioxygenase) inhibitor; EC 1.21.3.3 (reticuline oxidase) inhibitor; EC 2.1.1.116 [3'-hydroxy-N-methyl-(S)-coclaurine 4'-O-methyltransferase] inhibitor; EC 2.1.1.122 [(S)-tetrahydroprotoberberine N-methyltransferase] inhibitor; EC 2.7.11.10 (IkappaB kinase) inhibitor; EC 3.1.1.4 (phospholipase A2) inhibitor; EC 3.1.1.7 (acetylcholinesterase) inhibitor; EC 3.1.1.8 (cholinesterase) inhibitor; EC 3.1.3.48 (protein-tyrosine-phosphatase) inhibitor; EC 3.4.14.5 (dipeptidyl-peptidase IV) inhibitor; EC 3.4.21.26 (prolyl oligopeptidase) inhibitor; geroprotector; hypoglycemic agent; metabolite; potassium channel blocker
oleandrin	[no description available]	medium	1	0	14beta-hydroxy steroid; cardenolide glycoside; steroid ester; steroid saponin
mitoquinone	[no description available]	medium	3	0
ubiquinone	[no description available]	medium	146	0
mocetinostat	[no description available]	medium	9	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
coenzyme q10	[no description available]	medium	18	0	ubiquinones	antioxidant; ferroptosis inhibitor; human metabolite
etomoxir	[no description available]	medium	1	0	aromatic ether
crocin	[no description available]	medium	3	0
deferoxamine	[no description available]	medium	7	0	acyclic desferrioxamine	bacterial metabolite; ferroptosis inhibitor; iron chelator; siderophore
inosine	[no description available]	medium	7	0	inosines; purines D-ribonucleoside	Escherichia coli metabolite; human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite
trigonelline	[no description available]	medium	1	0	alkaloid; iminium betaine	food component; human urinary metabolite; plant metabolite
topotecan	[no description available]	medium	1	0	pyranoindolizinoquinoline	antineoplastic agent; EC 5.99.1.2 (DNA topoisomerase) inhibitor
phosphoserine	[no description available]	medium	3	0	non-proteinogenic alpha-amino acid; O-phosphoamino acid; serine derivative	human metabolite
3,4-dihydroxyphenyllactic acid	[no description available]	medium	1	0	2-hydroxy monocarboxylic acid; catechols
gsk5182	[no description available]	medium	1	0
2-propanol	[no description available]	medium	1	0	secondary alcohol; secondary fatty alcohol	protic solvent
troxerutin	[no description available]	medium	1	0
asiaticoside	[no description available]	medium	2	0
3-nitrotyrosine	[no description available]	medium	10	0	2-nitrophenols; C-nitro compound; nitrotyrosine; non-proteinogenic alpha-amino acid
tyrosine	[no description available]	medium	15	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
monascin	[no description available]	medium	1	0	alpha,beta-unsaturated ketone; gamma-lactone; organic heterotricyclic compound; polyketide	antilipemic drug; antineoplastic agent; fungal metabolite; PPARgamma agonist
fasudil	[no description available]	medium	2	0	isoquinolines; N-sulfonyldiazepane	antihypertensive agent; calcium channel blocker; EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor; geroprotector; neuroprotective agent; nootropic agent; vasodilator agent
1-(5-isoquinolinesulfonyl)-2-methylpiperazine	[no description available]	medium	4	0	isoquinolines; N-sulfonylpiperazine	EC 2.7.11.13 (protein kinase C) inhibitor
propionic acid	[no description available]	medium	2	0	saturated fatty acid; short-chain fatty acid	antifungal drug
usnic acid	[no description available]	medium	1	0	benzofurans
glycogen	[no description available]	medium	10	0
benzofurans	[no description available]	medium	6	0
1-hexadecyl-2-acetyl-glycero-3-phosphocholine	[no description available]	medium	4	0	2-acetyl-1-alkyl-sn-glycero-3-phosphocholine	antihypertensive agent; beta-adrenergic antagonist; bronchoconstrictor agent; hematologic agent; vasodilator agent
dermatan sulfate	[no description available]	medium	1	0	amino disaccharide; glycosylgalactose derivative; iduronic acids; oligosaccharide sulfate
kolaviron	[no description available]	medium	3	0	4'-methoxyflavanones; biflavonoid; dihydroflavonols; ring assembly; secondary alpha-hydroxy ketone	hepatoprotective agent; plant metabolite
2-amino-3-phenylbutanoic acid	[no description available]	medium	1	0
thallium-201	[no description available]	medium	1	0	thallium
phenyl-n-tert-butylnitrone	[no description available]	medium	3	0
pqq cofactor	[no description available]	medium	7	0	orthoquinones; pyrroloquinoline cofactor; tricarboxylic acid	anti-inflammatory agent; antioxidant; cofactor; water-soluble vitamin (role)
cannabidiol	[no description available]	medium	1	0	olefinic compound; phytocannabinoid; resorcinols	antimicrobial agent; plant metabolite
cannabigerol	[no description available]	medium	1	0	phytocannabinoid; resorcinols	anti-inflammatory agent; antibacterial agent; antioxidant; appetite enhancer; cannabinoid receptor agonist; neuroprotective agent; plant metabolite
tert-butylhydroperoxide	[no description available]	medium	18	0	alkyl hydroperoxide	antibacterial agent; oxidising agent
5-alpha-dihydroprogesterone	[no description available]	medium	1	0	20-oxo steroid; 3-oxo-5alpha-steroid; C21-steroid hormone	human metabolite; progestogen
pregnanolone	[no description available]	medium	1	0	3-hydroxy-5beta-pregnan-20-one; 3alpha-hydroxy steroid	human metabolite; intravenous anaesthetic; sedative
pregnenolone	[no description available]	medium	4	0	20-oxo steroid; 3beta-hydroxy-Delta(5)-steroid; C21-steroid	human metabolite; mouse metabolite
citrulline	[no description available]	medium	4	0	amino acid zwitterion; citrulline	Daphnia magna metabolite; EC 1.14.13.39 (nitric oxide synthase) inhibitor; Escherichia coli metabolite; human metabolite; micronutrient; mouse metabolite; nutraceutical; plant metabolite; protective agent; Saccharomyces cerevisiae metabolite
malonic acid	[no description available]	medium	23	0	alpha,omega-dicarboxylic acid	human metabolite
naphthoquinones	[no description available]	medium	23	0
sepantronium	[no description available]	medium	1	0	organic cation
sevoflurane	[no description available]	medium	1	0	ether; organofluorine compound	central nervous system depressant; inhalation anaesthetic; platelet aggregation inhibitor
apelin-13 peptide	[no description available]	medium	1	0	oligopeptide	antihypertensive agent; autophagy inhibitor; biomarker; human metabolite; neuroprotective agent
(melle-4)cyclosporin	[no description available]	medium	2	0
sesquiterpenes	[no description available]	medium	5	0
isolongifolenone	[no description available]	medium	2	0
idebenone	[no description available]	medium	5	0	1,4-benzoquinones; primary alcohol	antioxidant; ferroptosis inhibitor
bisphenol a	[no description available]	medium	3	0	bisphenol	endocrine disruptor; environmental contaminant; xenobiotic; xenoestrogen
omega-n-methylarginine	[no description available]	medium	5	0	amino acid zwitterion; arginine derivative; guanidines; L-arginine derivative; non-proteinogenic L-alpha-amino acid
chlorpyrifos	[no description available]	medium	2	0	chloropyridine; organic thiophosphate	acaricide; agrochemical; EC 3.1.1.7 (acetylcholinesterase) inhibitor; EC 3.1.1.8 (cholinesterase) inhibitor; environmental contaminant; insecticide; xenobiotic
staurosporine	[no description available]	medium	18	0	ammonium ion derivative
pyrroles	[no description available]	medium	3	0	pyrrole; secondary amine
pexidartinib	[no description available]	medium	1	0	aminopyridine; organochlorine compound; organofluorine compound; pyrrolopyridine; secondary amino compound	antineoplastic agent; EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor
alpha-aminopyridine	[no description available]	medium	1	0
antimycin	[no description available]	medium	80	1
ammonium chloride	[no description available]	medium	8	0	ammonium salt; inorganic chloride	ferroptosis inhibitor
sulfur	[no description available]	medium	10	0	chalcogen; nonmetal atom	macronutrient
dapagliflozin	[no description available]	medium	1	0	aromatic ether; C-glycosyl compound; monochlorobenzenes	hypoglycemic agent; sodium-glucose transport protein subtype 2 inhibitor
procyanidin	[no description available]	medium	2	0	proanthocyanidin
3,4-dihydrocoumarin	[no description available]	medium	1	0	chromanone	plant metabolite
rasagiline	[no description available]	medium	5	0	indanes; secondary amine; terminal acetylenic compound	EC 1.4.3.4 (monoamine oxidase) inhibitor; neuroprotective agent
hydroxyl radical	[no description available]	medium	14	0	oxygen hydride; oxygen radical; reactive oxygen species
3-(2,4-dichloro-5-methoxyphenyl)-2-sulfanyl-4(3h)-quinazolinone	[no description available]	medium	4	0
hydrogen	[no description available]	medium	21	0	elemental hydrogen; elemental molecule; gas molecular entity	antioxidant; electron donor; food packaging gas; fuel; human metabolite
fipronil sulfone	[no description available]	medium	1	0	(trifluoromethyl)benzenes; dichlorobenzene; nitrile; pyrazoles; sulfone	marine xenobiotic metabolite
fipronil	[no description available]	medium	1	0	(trifluoromethyl)benzenes; dichlorobenzene; nitrile; primary amino compound; pyrazoles; sulfoxide
am 251	[no description available]	medium	1	0	amidopiperidine; carbohydrazide; dichlorobenzene; organoiodine compound; pyrazoles	antidepressant; antineoplastic agent; apoptosis inducer; CB1 receptor antagonist
carbidopa	[no description available]	medium	3	0
vanillic acid	[no description available]	medium	1	0	methoxybenzoic acid; monohydroxybenzoic acid	plant metabolite
carbidopa, levodopa drug combination	[no description available]	medium	3	0
acteoside	[no description available]	medium	2	0	catechols; cinnamate ester; disaccharide derivative; glycoside; polyphenol	anti-inflammatory agent; antibacterial agent; antileishmanial agent; neuroprotective agent; plant metabolite
lobeglitazone	[no description available]	medium	1	0	aromatic ether
lactic acid	[no description available]	medium	41	0	2-hydroxy monocarboxylic acid	algal metabolite; Daphnia magna metabolite
adenine	[no description available]	medium	10	0	6-aminopurines; purine nucleobase	Daphnia magna metabolite; Escherichia coli metabolite; human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite
3-methyladenine	[no description available]	medium	5	0
sun n8075	[no description available]	medium	1	0
ginsenoside rg3	[no description available]	medium	1	0	ginsenoside; glycoside; tetracyclic triterpenoid	angiogenesis modulating agent; antineoplastic agent; apoptosis inducer; plant metabolite
ginsenosides	[no description available]	medium	3	0
hyperoside	[no description available]	medium	1	0	beta-D-galactoside; monosaccharide derivative; quercetin O-glycoside; tetrahydroxyflavone	hepatoprotective agent; plant metabolite
6-hydroxydopa	[no description available]	medium	1	0	non-proteinogenic alpha-amino acid
dihydroxyphenylalanine	[no description available]	medium	3	0	hydroxyphenylalanine; non-proteinogenic alpha-amino acid; tyrosine derivative	human metabolite
bardoxolone methyl	[no description available]	medium	1	0	cyclohexenones
leupeptins	[no description available]	medium	10	0
gamma-sitosterol	[no description available]	medium	2	0	3beta-hydroxy-Delta(5)-steroid; 3beta-sterol; phytosterols	marine metabolite; plant metabolite
cytellin	[no description available]	medium	2	0
glycosides	[no description available]	medium	28	0
demethoxycurcumin	[no description available]	medium	2	0	beta-diketone; diarylheptanoid; enone; polyphenol	anti-inflammatory agent; antineoplastic agent; metabolite
cytochrome c-t	[no description available]	medium	54	0
succinic acid	[no description available]	medium	84	0	alpha,omega-dicarboxylic acid; C4-dicarboxylic acid	anti-ulcer drug; fundamental metabolite; micronutrient; nutraceutical; radiation protective agent
gadolinium dtpa	[no description available]	medium	1	0	gadolinium coordination entity	MRI contrast agent
dabigatran	[no description available]	medium	1	0	aromatic amide; benzimidazoles; beta-alanine derivative; carboxamidine; pyridines	anticoagulant; EC 1.10.99.2 [ribosyldihydronicotinamide dehydrogenase (quinone)] inhibitor; EC 3.4.21.5 (thrombin) inhibitor
dichloroacetic acid	[no description available]	medium	3	0	monocarboxylic acid; organochlorine compound	astringent; marine metabolite
bromisovalum	[no description available]	medium	1	0	N-acylurea; organobromine compound
ginsenoside rd	[no description available]	medium	1	0	beta-D-glucoside; ginsenoside; tetracyclic triterpenoid	anti-inflammatory drug; apoptosis inducer; immunosuppressive agent; neuroprotective agent; plant metabolite; vulnerary
bisabolol	[no description available]	medium	1	0
exenatide	[no description available]	medium	1	0
tempo	[no description available]	medium	5	0	aminoxyls; piperidines	catalyst; ferroptosis inhibitor; radical scavenger
potassium cyanide	[no description available]	medium	76	0	cyanide salt; one-carbon compound; potassium salt	EC 1.15.1.1 (superoxide dismutase) inhibitor; EC 1.9.3.1 (cytochrome c oxidase) inhibitor; neurotoxin
arsenic trioxide	[no description available]	medium	3	0
acetonitrile	[no description available]	medium	1	0	aliphatic nitrile; volatile organic compound	EC 3.5.1.4 (amidase) inhibitor; NMR chemical shift reference compound; polar aprotic solvent
sodium nitrite	[no description available]	medium	1	0	inorganic sodium salt; nitrite salt	antidote to cyanide poisoning; antihypertensive agent; antimicrobial food preservative; food antioxidant; poison
proline	[no description available]	medium	17	0	amino acid zwitterion; glutamine family amino acid; L-alpha-amino acid; proline; proteinogenic amino acid	algal metabolite; compatible osmolytes; Escherichia coli metabolite; micronutrient; mouse metabolite; nutraceutical; Saccharomyces cerevisiae metabolite
androstenediol	[no description available]	medium	1	0	17beta-hydroxy steroid; 3beta-hydroxy-Delta(5)-steroid	androgen; human metabolite; mouse metabolite; radiation protective agent
ferrostatin-1	[no description available]	medium	2	0	ethyl ester; primary arylamine; substituted aniline	antifungal agent; antioxidant; ferroptosis inhibitor; neuroprotective agent; radiation protective agent; radical scavenger
vinyl iodide	[no description available]	medium	1	0	monohaloethene
nitrates	[no description available]	medium	13	0	monovalent inorganic anion; nitrogen oxoanion; reactive nitrogen species
spermidine	[no description available]	medium	1	0	polyazaalkane; triamine	autophagy inducer; fundamental metabolite; geroprotector
beta-escin	[no description available]	medium	11	0
rhamnose	[no description available]	medium	2	0	L-rhamnose
angiotensin i	[no description available]	medium	1	0	angiotensin; peptide zwitterion	human metabolite; neurotransmitter agent
angiotensin ii, des-phe(8)-	[no description available]	medium	1	0	amino acid zwitterion; angiotensin	vasodilator agent
linoleic acid	[no description available]	medium	2	0	octadecadienoic acid; omega-6 fatty acid	algal metabolite; Daphnia galeata metabolite; plant metabolite
4-hydroxy-25-desoxyneorollinicin	[no description available]	medium	13	0
calcein am	[no description available]	medium	2	0	2-benzofurans; acetate ester; gamma-lactone; organic heteropentacyclic compound; oxaspiro compound; xanthene dye	fluorochrome
erythrosine	[no description available]	medium	28	0
creatine	[no description available]	medium	5	0	glycine derivative; guanidines; zwitterion	geroprotector; human metabolite; mouse metabolite; neuroprotective agent; nutraceutical
geraniol	[no description available]	medium	1	0	3,7-dimethylocta-2,6-dien-1-ol; monoterpenoid; primary alcohol	allergen; fragrance; plant metabolite; volatile oil component
atrial natriuretic factor	[no description available]	medium	2	0	polypeptide
natriuretic peptide, brain	[no description available]	medium	2	0	polypeptide
adenosine diphosphate	[no description available]	medium	116	0	adenosine 5'-phosphate; purine ribonucleoside 5'-diphosphate	fundamental metabolite; human metabolite
histamine	[no description available]	medium	5	0	aralkylamino compound; imidazoles	human metabolite; mouse metabolite; neurotransmitter
jnj 7777120	[no description available]	medium	1	0
chalcone	[no description available]	medium	2	0	chalcone	EC 3.2.1.1 (alpha-amylase) inhibitor
hydroxysafflor yellow a	[no description available]	medium	2	0
sitagliptin phosphate	[no description available]	medium	2	0
liraglutide	[no description available]	medium	2	0	lipopeptide; polypeptide	glucagon-like peptide-1 receptor agonist; neuroprotective agent
dorsomorphin	[no description available]	medium	1	0	aromatic ether; piperidines; pyrazolopyrimidine; pyridines	bone morphogenetic protein receptor antagonist; EC 2.7.11.31 {[hydroxymethylglutaryl-CoA reductase (NADPH)] kinase} inhibitor
leptin	[no description available]	medium	2	0
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
alpha-ketobutyric acid	[no description available]	medium	1	0	2-oxo monocarboxylic acid; short-chain fatty acid
succinyl-coenzyme a	[no description available]	medium	2	0	omega-carboxyacyl-CoA	Escherichia coli metabolite; inhibitor; mouse metabolite
transferrin	[no description available]	medium	12	0
thymol	[no description available]	medium	1	0	monoterpenoid; phenols	volatile oil component
hexacyanoferrate iii	[no description available]	medium	10	0
menadiol	[no description available]	medium	1	0	methylnaphthalenes; naphthalenediols; naphthohydroquinone
vitamin k semiquinone radical	[no description available]	medium	47	0
deuterium	[no description available]	medium	2	0	dihydrogen
azoxystrobin	[no description available]	medium	3	0	aryloxypyrimidine; enoate ester; enol ether; methoxyacrylate strobilurin antifungal agent; methyl ester; nitrile	antifungal agrochemical; environmental contaminant; mitochondrial cytochrome-bc1 complex inhibitor; quinone outside inhibitor; xenobiotic
l 743,872	[no description available]	medium	1	0
plx4032	[no description available]	medium	1	0	aromatic ketone; difluorobenzene; monochlorobenzenes; pyrrolopyridine; sulfonamide	antineoplastic agent; B-Raf inhibitor
lupeol	[no description available]	medium	1	0	pentacyclic triterpenoid; secondary alcohol	anti-inflammatory drug; plant metabolite
icarrin	[no description available]	medium	1	0	flavonoids; glycoside
amphetamine	[no description available]	medium	4	0	primary amine
sodium salicylate	[no description available]	medium	3	0	organic molecular entity
fluorodeoxyglucose f18	[no description available]	medium	3	0	2-deoxy-2-((18)F)fluoro-D-glucose; 2-deoxy-2-fluoro-aldehydo-D-glucose
diphenylamine	[no description available]	medium	2	0	aromatic amine; bridged diphenyl fungicide; secondary amino compound	antifungal agrochemical; antioxidant; carotogenesis inhibitor; EC 1.3.99.29 [phytoene desaturase (zeta-carotene-forming)] inhibitor; ferroptosis inhibitor; radical scavenger
pd 0325901	[no description available]	medium	1	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
thiazolyl blue	[no description available]	medium	12	0	organic bromide salt	colorimetric reagent; dye
maneb	[no description available]	medium	6	0
glycine	[no description available]	medium	16	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
molybdenum	[no description available]	medium	2	0	chromium group element atom	micronutrient
cyclic gmp	[no description available]	medium	11	0	3',5'-cyclic purine nucleotide; guanyl ribonucleotide	Escherichia coli metabolite; human metabolite; mouse metabolite; plant metabolite; Saccharomyces cerevisiae metabolite
carbon monoxide	[no description available]	medium	16	0	carbon oxide; gas molecular entity; one-carbon compound	biomarker; EC 1.9.3.1 (cytochrome c oxidase) inhibitor; human metabolite; ligand; metabolite; mitochondrial respiratory-chain inhibitor; mouse metabolite; neurotoxin; neurotransmitter; P450 inhibitor; probe; signalling molecule; vasodilator agent
chondroitin sulfates	[no description available]	medium	2	0
1-oleoyl-2-acetylglycerol	[no description available]	medium	1	0	1,2-diglyceride
betaine	[no description available]	medium	4	0	amino-acid betaine; glycine derivative	fundamental metabolite
uric acid	[no description available]	medium	3	0	uric acid	Escherichia coli metabolite; human metabolite; mouse metabolite
selenomethionine	[no description available]	medium	1	0	selenoamino acid; selenomethionines	plant metabolite
sodium selenite	[no description available]	medium	2	0	inorganic sodium salt; selenite salt	nutraceutical
anthraquinone sulfonate	[no description available]	medium	1	0
resazurin	[no description available]	medium	4	0	phenoxazine
xanthenes	[no description available]	medium	7	0	xanthene
scopolamine hydrobromide	[no description available]	medium	1	0
candesartan cilexetil	[no description available]	medium	1	0	biphenyls
gastrodin	[no description available]	medium	1	0	glycoside
mannitol	[no description available]	medium	9	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
niacinamide	[no description available]	medium	10	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
n(1)-methylnicotinamide	[no description available]	medium	1	0	pyridinium ion	algal metabolite; anti-inflammatory agent; human urinary metabolite; mouse metabolite; plant metabolite; Saccharomyces cerevisiae metabolite
boeravinone b	[no description available]	medium	1	0
3-(2,2,2-trimethylhydrazine)propionate	[no description available]	medium	1	0	ammonium betaine	cardioprotective agent; EC 1.14.11.1 (gamma-butyrobetaine dioxygenase) inhibitor; neuroprotective agent
malic acid	[no description available]	medium	54	0	2-hydroxydicarboxylic acid; C4-dicarboxylic acid	food acidity regulator; fundamental metabolite
sesamol	[no description available]	medium	1	0	benzodioxoles
salsolinol	[no description available]	medium	3	0	1-methyl-1,2,3,4-tetrahydroisoquinoline-6,7-diol	human urinary metabolite
isoxazoles	[no description available]	medium	5	0	isoxazoles; mancude organic heteromonocyclic parent; monocyclic heteroarene
lycopene	[no description available]	medium	2	0	acyclic carotene	antioxidant; plant metabolite
alpha-glycerophosphoric acid	[no description available]	medium	5	0	glycerol monophosphate	algal metabolite; human metabolite
nigericin	[no description available]	medium	17	0	polycyclic ether	antibacterial agent; antimicrobial agent; bacterial metabolite; potassium ionophore
1,1-diphenyl-2-picrylhydrazyl	[no description available]	medium	3	0
genipin	[no description available]	medium	1	0	iridoid monoterpenoid	anti-inflammatory agent; antioxidant; apoptosis inhibitor; cross-linking reagent; hepatotoxic agent; uncoupling protein inhibitor
iridoids	[no description available]	medium	2	0
5-hydroxydecanoate	[no description available]	medium	4	0	medium-chain fatty acid
17-(dimethylaminoethylamino)-17-demethoxygeldanamycin	[no description available]	medium	1	0	1,4-benzoquinones; ansamycin; carbamate ester; secondary amino compound; tertiary amino compound	Hsp90 inhibitor
kb r7943	[no description available]	medium	1	0
tetrodotoxin	[no description available]	medium	8	0	azatetracycloalkane; oxatetracycloalkane; quinazoline alkaloid	animal metabolite; bacterial metabolite; marine metabolite; neurotoxin; voltage-gated sodium channel blocker
guanethidine	[no description available]	medium	1	0	azocanes; guanidines	adrenergic antagonist; antihypertensive agent; sympatholytic agent
5-methoxy-1,2-dimethyl-3-((4-nitrophenoxy)methyl)indole-4,7-dione	[no description available]	medium	2	0
silver nitrate	[no description available]	medium	1	0	inorganic nitrate salt; silver salt	astringent
snj-1945	[no description available]	medium	1	0
carbamates	[no description available]	medium	9	0	amino-acid anion
isoflurane	[no description available]	medium	2	0	organofluorine compound	inhalation anaesthetic
methamidophos	[no description available]	medium	1	0	organic thiophosphate; organothiophosphate insecticide; phosphoramide	acaricide; agrochemical; avicide
3,5-bis(2-fluorobenzylidene)piperidin-4-one	[no description available]	medium	1	0
2-piperidone	[no description available]	medium	1	0	delta-lactam; piperidones	EC 1.2.1.88 (L-glutamate gamma-semialdehyde dehydrogenase) inhibitor
5,5',6,6'-tetrachloro-1,1',3,3'-tetraethylbenzimidazolocarbocyanine	[no description available]	medium	5	0	cyanine dye; indolium ion	fluorochrome
carbocyanines	[no description available]	medium	19	0	cyanine dye; organic iodide salt	fluorochrome
phthalic acid	[no description available]	medium	1	0	benzenedicarboxylic acid	human xenobiotic metabolite
mangiferin	[no description available]	medium	1	0	C-glycosyl compound; xanthones	anti-inflammatory agent; antioxidant; hypoglycemic agent; plant metabolite
proanthocyanidin	[no description available]	medium	1	0
1,2-bis(2-aminophenoxy)ethane n,n,n',n'-tetraacetic acid acetoxymethyl ester	[no description available]	medium	5	0
phosphocreatine	[no description available]	medium	9	0	phosphagen; phosphoamino acid	human metabolite; mouse metabolite
calpeptin	[no description available]	medium	3	0	amino acid amide
acetyl coenzyme a	[no description available]	medium	9	0	acyl-CoA	acyl donor; coenzyme; effector; fundamental metabolite
phosphoenolpyruvate	[no description available]	medium	8	0	carboxyalkyl phosphate; monocarboxylic acid	fundamental metabolite
3,3',4'-trihydroxyflavone	[no description available]	medium	1	0	hydroxyflavan
diacetyldichlorofluorescein	[no description available]	medium	6	0
fura-2	[no description available]	medium	10	0
rhodamine 123	[no description available]	medium	11	0	organic cation; xanthene dye	fluorochrome
fura-2-am	[no description available]	medium	2	0
transforming growth factor beta	[no description available]	medium	2	0
singlet oxygen	[no description available]	medium	3	0	chalcogen; monoatomic oxygen; nonmetal atom	macronutrient
oxaloacetic acid	[no description available]	medium	4	0	C4-dicarboxylic acid; oxo dicarboxylic acid	geroprotector; metabolite
chromium	[no description available]	medium	2	0	chromium cation; monoatomic hexacation
chromium	[no description available]	medium	4	0	chromium group element atom; metal allergen	micronutrient
desoxycorticosterone	[no description available]	medium	10	0	20-oxo steroid; 21-hydroxy steroid; 3-oxo-Delta(4) steroid; mineralocorticoid; primary alpha-hydroxy ketone	human metabolite; mouse metabolite
sdz psc 833	[no description available]	medium	1	0	homodetic cyclic peptide
5-methylcytosine	[no description available]	medium	1	0	methylcytosine; pyrimidines	human metabolite
n-acetylsphingosine	[no description available]	medium	4	0	N-acylsphingosine
galactosamine	[no description available]	medium	1	0	D-galactosamine; primary amino compound	toxin
4-hydroxylonchocarpin	[no description available]	medium	1	0
n-acetylcysteinamide	[no description available]	medium	1	0
tiopronin	[no description available]	medium	1	0	N-acyl-amino acid
cadmium chloride	[no description available]	medium	3	0	cadmium coordination entity
uranium	[no description available]	medium	1	0	actinoid atom; f-block element atom; monoatomic uranium
hydrogen sulfide	[no description available]	medium	5	0	gas molecular entity; hydracid; mononuclear parent hydride; sulfur hydride	Escherichia coli metabolite; genotoxin; metabolite; signalling molecule; toxin; vasodilator agent
phosphorus	[no description available]	medium	8	0	monoatomic phosphorus; nonmetal atom; pnictogen	macronutrient
n 0437, (-)-isomer	[no description available]	medium	1	0	tetralins
thiophenes	[no description available]	medium	13	0	mancude organic heteromonocyclic parent; monocyclic heteroarene; thiophenes; volatile organic compound	non-polar solvent
palmitoyl coenzyme a	[no description available]	medium	5	0	11,12-saturated fatty acyl-CoA; 3-substituted propionyl-CoA; long-chain fatty acyl-CoA; palmitoyl bioconjugate	Escherichia coli metabolite; mouse metabolite
acrylic acid	[no description available]	medium	1	0	alpha,beta-unsaturated monocarboxylic acid	metabolite
n-vinyl-2-pyrrolidinone	[no description available]	medium	5	0	pyrrolidin-2-ones
ethidium	[no description available]	medium	16	0	phenanthridines	fluorochrome; intercalator
dihydroethidium	[no description available]	medium	9	0
ergosterol	[no description available]	medium	1	0	3beta-hydroxy-Delta(5)-steroid; 3beta-sterol; ergostanoid; phytosterols	fungal metabolite; Saccharomyces cerevisiae metabolite
4-phenyl-2-propionamidotetraline	[no description available]	medium	1	0	tetralins
8-methoxy-2-propionamidotetralin	[no description available]	medium	1	0	tetralins
puerarin	[no description available]	medium	2	0	C-glycosyl compound; isoflavonoid
gramicidin a	[no description available]	medium	12	0
quinic acid	[no description available]	medium	1	0
n-(1,3-benzodioxol-5-ylmethyl)-2,6-dichlorobenzamide	[no description available]	medium	1	0	carbonyl compound; organohalogen compound
epidermal growth factor	[no description available]	medium	6	0
akebia saponin d	[no description available]	medium	1	0
tetrahydrofuran	[no description available]	medium	1	0	cyclic ether; oxolanes; saturated organic heteromonocyclic parent; volatile organic compound	polar aprotic solvent
(9R)-9-chloro-11,17-dihydroxy-17-(2-hydroxy-1-oxoethyl)-10,13,16-trimethyl-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-3-one	[no description available]	medium	1	0	21-hydroxy steroid
pd 123319	[no description available]	medium	1	0	imidazopyridine	angiotensin receptor antagonist; endothelin receptor antagonist; vasoconstrictor agent
cgp 42112a	[no description available]	medium	1	0	benzyl ester; oligopeptide; pyridinecarboxamide	angiotensin receptor agonist; anti-inflammatory agent; antineoplastic agent; neuroprotective agent; vasodilator agent
adamantane	[no description available]	medium	2	0	adamantanes; polycyclic alkane
trifluralin	[no description available]	medium	1	0	(trifluoromethyl)benzenes; C-nitro compound; substituted aniline	agrochemical; environmental contaminant; herbicide; xenobiotic
coumarin	[no description available]	medium	1	0	coumarins	fluorescent dye; human metabolite; plant metabolite
arachidonic acid	[no description available]	medium	8	0	icosa-5,8,11,14-tetraenoic acid; long-chain fatty acid; omega-6 fatty acid	Daphnia galeata metabolite; EC 3.1.1.1 (carboxylesterase) inhibitor; human metabolite; mouse metabolite
alpha-hydroxyglutarate	[no description available]	medium	1	0	2-hydroxydicarboxylic acid; dicarboxylic fatty acid	metabolite; mouse metabolite
ergoline	[no description available]	medium	1	0	diamine; ergoline alkaloid; indole alkaloid fundamental parent; indole alkaloid; organic heterotetracyclic compound
palladium	[no description available]	medium	1	0	metal allergen; nickel group element atom; platinum group metal atom
protectin d1	[no description available]	medium	1	0	dihydroxydocosahexaenoic acid; protectin; secondary allylic alcohol	anti-inflammatory agent; apoptosis inhibitor; hepatoprotective agent; human xenobiotic metabolite; neuroprotective agent; PPARgamma agonist; specialised pro-resolving mediator
chiniofon	[no description available]	medium	14	0
amyloid beta-peptides	[no description available]	medium	2	0
3-(1-azepanylsulfonyl)-n-(3-bromphenyl)benzamide	[no description available]	medium	1	0
z-val-ala-asp(ome)-fluoromethylketone	[no description available]	medium	1	0	carbamate ester; organofluorine compound; tripeptide	apoptosis inhibitor; protease inhibitor
gw 501516	[no description available]	medium	1	0	1,3-thiazoles; aromatic ether; aryl sulfide; monocarboxylic acid; organofluorine compound	carcinogenic agent; PPARbeta/delta agonist
r 715	[no description available]	medium	1	0
bradykinin	[no description available]	medium	6	0	oligopeptide	human blood serum metabolite; vasodilator agent
piplartine	[no description available]	medium	1	0	cinnamamides; dicarboximide
oxamic acid	[no description available]	medium	5	0	dicarboxylic acid monoamide	Escherichia coli metabolite
lactacystin	[no description available]	medium	5	0	lactam; S-substituted L-cysteine
acetylcarnitine	[no description available]	medium	4	0	O-acylcarnitine	human metabolite
mebeverine	[no description available]	medium	1	0
aldosterone	[no description available]	medium	8	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
cholecystokinin	[no description available]	medium	1	0
nimbolide	[no description available]	medium	1	0
pterostilbene	[no description available]	medium	1	0	diether; methoxybenzenes; stilbenol	anti-inflammatory agent; antineoplastic agent; antioxidant; apoptosis inducer; hypoglycemic agent; neuroprotective agent; neurotransmitter; plant metabolite; radical scavenger
mercury	[no description available]	medium	13	0	elemental mercury; zinc group element atom	neurotoxin
cystamine	[no description available]	medium	2	0	organic disulfide; primary amino compound	EC 2.3.2.13 (protein-glutamine gamma-glutamyltransferase) inhibitor
fenbufen	[no description available]	medium	1	0	4-oxo monocarboxylic acid; biphenyls	non-steroidal anti-inflammatory drug
argon	[no description available]	medium	3	0	monoatomic argon; noble gas atom; p-block element atom	food packaging gas; neuroprotective agent
carboxin	[no description available]	medium	5	0	anilide fungicide; anilide; enamide; organosulfur heterocyclic compound; oxacycle; secondary carboxamide	antifungal agrochemical; EC 1.3.5.1 [succinate dehydrogenase (quinone)] inhibitor
4-(2-aminoethyl)benzenesulfonylfluoride	[no description available]	medium	1	0
cactinomycin	[no description available]	medium	1	0
adenosine monophosphate	[no description available]	medium	26	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
lactoferrin	[no description available]	medium	2	0
atazanavir sulfate	[no description available]	medium	1	0	organic sulfate salt
dopamine quinone	[no description available]	medium	2	0	1,2-benzoquinones; primary amino compound	metabolite
vanillin	[no description available]	medium	1	0	benzaldehydes; monomethoxybenzene; phenols	anti-inflammatory agent; anticonvulsant; antioxidant; flavouring agent; plant metabolite
coenzyme a	[no description available]	medium	18	0	adenosine 3',5'-bisphosphate	coenzyme; Escherichia coli metabolite; mouse metabolite
fludarabine	[no description available]	medium	2	0	purine nucleoside
oxophenylarsine	[no description available]	medium	5	0	arsine oxides	antineoplastic agent; apoptosis inducer; EC 3.1.3.48 (protein-tyrosine-phosphatase) inhibitor
peroxynitrous acid	[no description available]	medium	5	0	nitrogen oxoacid
linsidomine	[no description available]	medium	4	0	morpholines
molsidomine	[no description available]	medium	4	0	ethyl ester; morpholines; oxadiazole; zwitterion	antioxidant; apoptosis inhibitor; cardioprotective agent; nitric oxide donor; vasodilator agent
mdv 3100	[no description available]	medium	1	0	(trifluoromethyl)benzenes; benzamides; imidazolidinone; monofluorobenzenes; nitrile; thiocarbonyl compound	androgen antagonist; antineoplastic agent
abt-737	[no description available]	medium	1	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
abt-199	[no description available]	medium	1	0	aromatic ether; C-nitro compound; monochlorobenzenes; N-alkylpiperazine; N-arylpiperazine; N-sulfonylcarboxamide; oxanes; pyrrolopyridine	antineoplastic agent; apoptosis inducer; B-cell lymphoma 2 inhibitor
biguanides	[no description available]	medium	3	0	guanidines
nitrophenols	[no description available]	medium	4	0
caryophyllene	[no description available]	medium	1	0
epoxomicin	[no description available]	medium	2	0	morpholines; tripeptide	proteasome inhibitor
incretins	[no description available]	medium	1	0
menatetrenone	[no description available]	medium	1	0	menaquinone	anti-inflammatory agent; antioxidant; bone density conservation agent; human metabolite; neuroprotective agent
menaquinone 6	[no description available]	medium	1	0
tetramethylpyrazine	[no description available]	medium	1	0	alkaloid; pyrazines	antineoplastic agent; apoptosis inhibitor; bacterial metabolite; neuroprotective agent; platelet aggregation inhibitor; vasodilator agent
pyrazines	[no description available]	medium	2	0	diazine; pyrazines	Daphnia magna metabolite
cadmium	[no description available]	medium	12	0	cadmium molecular entity; zinc group element atom
nerolidol	[no description available]	medium	1	0	nerolidol
sulforaphane	[no description available]	medium	1	0	isothiocyanate; sulfoxide	antineoplastic agent; antioxidant; EC 3.5.1.98 (histone deacetylase) inhibitor; plant metabolite
fingolimod hydrochloride	[no description available]	medium	1	0	hydrochloride	immunosuppressive agent; prodrug; sphingosine-1-phosphate receptor agonist
peoniflorin	[no description available]	medium	1	0
oleracein e	[no description available]	medium	1	0
dronabinol	[no description available]	medium	1	0	benzochromene; diterpenoid; phytocannabinoid; polyketide	cannabinoid receptor agonist; epitope; hallucinogen; metabolite; non-narcotic analgesic
mitotempo	[no description available]	medium	1	0
parathion	[no description available]	medium	4	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
selenium	[no description available]	medium	3	0	chalcogen; nonmetal atom	micronutrient
ammonium hydroxide	[no description available]	medium	15	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
ferric chloride	[no description available]	medium	1	0	iron coordination entity	astringent; Lewis acid
chlorine	[no description available]	medium	21	0	halide anion; monoatomic chlorine	cofactor; Escherichia coli metabolite; human metabolite
sapogenins	[no description available]	medium	1	0
rtki cpd	[no description available]	medium	1	0
safranal	[no description available]	medium	1	0	monoterpenoid
boswellic acid	[no description available]	medium	1	0	triterpenoid
dantrolene	[no description available]	medium	1	0	hydrazone; imidazolidine-2,4-dione	muscle relaxant; neuroprotective agent; ryanodine receptor antagonist
nitroglycerin	[no description available]	medium	5	0	nitroglycerol	explosive; muscle relaxant; nitric oxide donor; prodrug; tocolytic agent; vasodilator agent; xenobiotic
gbr 12935	[no description available]	medium	2	0	ether; N-alkylpiperazine; tertiary amino compound	dopamine uptake inhibitor
misoprostol	[no description available]	medium	2	0
cytochalasin d	[no description available]	medium	5	0
tetraethylammonium	[no description available]	medium	4	0	quaternary ammonium ion
silver	[no description available]	medium	1	0	copper group element atom; elemental silver	Escherichia coli metabolite
cobra cardiotoxin proteins	[no description available]	medium	2	0
dithiothreitol	[no description available]	medium	10	0	1,4-dimercaptobutane-2,3-diol; butanediols; dithiol; glycol; thiol	chelator; human metabolite; reducing agent
acrolein	[no description available]	medium	4	0	enal	herbicide; human xenobiotic metabolite; toxin
phthalide	[no description available]	medium	1	0	2-benzofurans; gamma-lactone
n-formylmethionine leucyl-phenylalanine	[no description available]	medium	1	0	tripeptide
mtt formazan	[no description available]	medium	2	0
hoe 33342	[no description available]	medium	3	0
formazans	[no description available]	medium	2	0
atrazine	[no description available]	medium	1	0	chloro-1,3,5-triazine; diamino-1,3,5-triazine	environmental contaminant; herbicide; xenobiotic
malathion	[no description available]	medium	3	0	diester; ethyl ester; organic thiophosphate
pentachlorophenol	[no description available]	medium	9	0	aromatic fungicide; chlorophenol; organochlorine pesticide; pentachlorobenzenes	human xenobiotic metabolite
cyanides	[no description available]	medium	280	0	pseudohalide anion	EC 1.9.3.1 (cytochrome c oxidase) inhibitor
microcystin	[no description available]	medium	1	0	peptide
paraoxon	[no description available]	medium	1	0	aryl dialkyl phosphate; organophosphate insecticide	EC 3.1.1.7 (acetylcholinesterase) inhibitor; mouse metabolite
zinc chloride	[no description available]	medium	2	0	inorganic chloride; zinc molecular entity	astringent; disinfectant; EC 5.3.3.5 (cholestenol Delta-isomerase) inhibitor; Lewis acid
pyrithione	[no description available]	medium	1	0	monohydroxypyridine; pyridinethione	ionophore
catalpol	[no description available]	medium	1	0
propidium	[no description available]	medium	6	0	phenanthridines; quaternary ammonium ion	fluorochrome; intercalator
azides	[no description available]	medium	69	0	pseudohalide anion	mitochondrial respiratory-chain inhibitor
flavin mononucleotide	[no description available]	medium	8	0
mannoheptulose	[no description available]	medium	2	0	D-manno-heptulose
salicylhydroxamic acid	[no description available]	medium	11	0	hydroxamic acid; phenols	antibacterial drug; EC 1.11.2.2 (myeloperoxidase) inhibitor; EC 3.5.1.5 (urease) inhibitor; trypanocidal drug
palmitoylcarnitine	[no description available]	medium	8	0	O-palmitoylcarnitine; saturated fatty acyl-L-carnitine	EC 3.6.3.9 (Na(+)/K(+)-transporting ATPase) inhibitor; human metabolite; mouse metabolite
meclofenoxate	[no description available]	medium	2	0	monocarboxylic acid
methylene blue	[no description available]	medium	10	0	organic chloride salt	acid-base indicator; antidepressant; antimalarial; antimicrobial agent; antioxidant; cardioprotective agent; EC 1.4.3.4 (monoamine oxidase) inhibitor; EC 3.1.1.8 (cholinesterase) inhibitor; EC 4.6.1.2 (guanylate cyclase) inhibitor; fluorochrome; histological dye; neuroprotective agent; physical tracer
zm 241385	[no description available]	medium	1	0	diamino-1,3,5-triazine
triazoles	[no description available]	medium	2	0	1,2,3-triazole
thiamine pyrophosphate	[no description available]	medium	2	0	organic chloride salt; vitamin B1
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
pyrimidinones	[no description available]	medium	2	0
tranexamic acid	[no description available]	medium	1	0	amino acid
gold	[no description available]	medium	2	0	copper group element atom; elemental gold
xanthine	[no description available]	medium	4	0	xanthine	Saccharomyces cerevisiae metabolite
azadirachtin	[no description available]	medium	7	0	acetate ester; azadirachtin; cyclic hemiketal; enoate ester; epoxide; methyl ester; organic heterotetracyclic compound; secondary alcohol; tertiary alcohol	hepatoprotective agent
neramexane	[no description available]	medium	1	0
6-methyl-2-(phenylethynyl)pyridine	[no description available]	medium	2	0	acetylenic compound; methylpyridines	anxiolytic drug; metabotropic glutamate receptor antagonist
ranitidine	[no description available]	medium	1	0	C-nitro compound; furans; organic sulfide; tertiary amino compound	anti-ulcer drug; drug allergen; environmental contaminant; H2-receptor antagonist; xenobiotic
dapi	[no description available]	medium	3	0	indoles	fluorochrome
bafilomycin a1	[no description available]	medium	1	0	cyclic hemiketal; macrolide antibiotic; oxanes	apoptosis inducer; autophagy inhibitor; bacterial metabolite; EC 3.6.3.10 (H(+)/K(+)-exchanging ATPase) inhibitor; EC 3.6.3.14 (H(+)-transporting two-sector ATPase) inhibitor; ferroptosis inhibitor; fungicide; potassium ionophore; toxin
interleukin-8	[no description available]	medium	3	0
ru 66647	[no description available]	medium	1	0
4-amylcinnamoylanthranilic acid	[no description available]	medium	1	0	amidobenzoic acid; cinnamamides; secondary carboxamide	EC 3.1.1.4 (phospholipase A2) inhibitor; TRP channel blocker
carnosine	[no description available]	medium	2	0	amino acid zwitterion; dipeptide	anticonvulsant; antineoplastic agent; antioxidant; Daphnia magna metabolite; geroprotector; human metabolite; mouse metabolite; neuroprotective agent
sodium nitrate	[no description available]	medium	2	0	inorganic nitrate salt; inorganic sodium salt	fertilizer; NMR chemical shift reference compound
d-alpha tocopherol	[no description available]	medium	19	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
potassium cyanate	[no description available]	medium	2	0	cyanate salt; one-carbon compound	herbicide
cyanates	[no description available]	medium	5	0
ethyl chloride	[no description available]	medium	2	0	chloroethanes	antipruritic drug; inhalation anaesthetic; local anaesthetic
benzene	[no description available]	medium	1	0	aromatic annulene; benzenes; volatile organic compound	carcinogenic agent; environmental contaminant; non-polar solvent
brimonidine tartrate	[no description available]	medium	1	0
quinoxalines	[no description available]	medium	2	0	mancude organic heterobicyclic parent; naphthyridine; ortho-fused heteroarene
3-hydroxybutyric acid	[no description available]	medium	14	0	(omega-1)-hydroxy fatty acid; 3-hydroxy monocarboxylic acid; hydroxybutyric acid	human metabolite
acetoacetic acid	[no description available]	medium	10	0	3-oxo fatty acid; ketone body	metabolite
fluorescein-5-isothiocyanate	[no description available]	medium	3	0	fluorescein isothiocyanate
3,3'-dioctadecylindocarbocyanine	[no description available]	medium	1	0	Cy5 dye; indolium ion	fluorochrome
ammonium sulfate	[no description available]	medium	1	0	ammonium salt; inorganic sulfate salt	fertilizer
okadaic acid	[no description available]	medium	4	0	ketal
6-cyano-7-nitroquinoxaline-2,3-dione	[no description available]	medium	3	0	quinoxaline derivative
stigmatellin	[no description available]	medium	11	0	aromatic ether; chromones; olefinic compound; phenols	bacterial metabolite; quinol oxidation site inhibitor
salvin	[no description available]	medium	1	0	abietane diterpenoid; carbotricyclic compound; catechols; monocarboxylic acid	angiogenesis modulating agent; anti-inflammatory agent; antineoplastic agent; antioxidant; apoptosis inducer; food preservative; HIV protease inhibitor; plant metabolite
methane	[no description available]	medium	4	0	alkane; gas molecular entity; mononuclear parent hydride; one-carbon compound	bacterial metabolite; fossil fuel; greenhouse gas
n-(1-methylethyl)-1,1,2-trimethylpropylamine	[no description available]	medium	6	0
ym 09151-2	[no description available]	medium	1	0	N-(1-benzyl-2-methylpyrrolidin-3-yl)-5-chloro-2-methoxy-4-(methylamino)benzamide
sch 23390	[no description available]	medium	1	0	benzazepine
sr 144528	[no description available]	medium	1	0	bridged compound; monochlorobenzenes; pyrazoles; secondary carboxamide	CB2 receptor antagonist; EC 2.3.1.26 (sterol O-acyltransferase) inhibitor
iodoresiniferatoxin	[no description available]	medium	1	0
1-methyl-1,2,3,4-tetrahydroisoquinoline	[no description available]	medium	4	0	isoquinolines
tempol-h	[no description available]	medium	1	0
hydroxylamine	[no description available]	medium	1	0	hydroxylamines	algal metabolite; bacterial xenobiotic metabolite; EC 1.1.3.13 (alcohol oxidase) inhibitor; EC 4.2.1.22 (cystathionine beta-synthase) inhibitor; EC 4.3.1.10 (serine-sulfate ammonia-lyase) inhibitor; nitric oxide donor; nucleophilic reagent
1-hydroxy-3-methoxycarbonyl-2,2,5,5-tetramethylpyrrolidine	[no description available]	medium	1	0
difopein	[no description available]	medium	1	0
2,3-dehydrosilybin	[no description available]	medium	1	0	flavonolignan
dibutyryl cyclic-3',5'-cytidine monophosphate	[no description available]	medium	2	0
cyclic cmp	[no description available]	medium	2	0	3',5'-cyclic pyrimidine nucleotide	human metabolite
n(g)-iminoethylornithine	[no description available]	medium	1	0	L-alpha-amino acid
ex 527	[no description available]	medium	1	0	carbazoles; monocarboxylic acid amide; organochlorine compound
srt1720	[no description available]	medium	1	0
alpha-cyano-4-hydroxycinnamate	[no description available]	medium	2	0
8-epi-prostaglandin f2alpha	[no description available]	medium	2	0	F2-isoprostane	biomarker; bronchoconstrictor agent; vasoconstrictor agent
acetovanillone	[no description available]	medium	9	0	acetophenones; aromatic ketone; methyl ketone	antirheumatic drug; EC 1.6.3.1. [NAD(P)H oxidase (H2O2-forming)] inhibitor; non-narcotic analgesic; non-steroidal anti-inflammatory drug; peripheral nervous system drug; plant metabolite
neoechinulin	[no description available]	medium	1	0
adenosine diphosphate ribose	[no description available]	medium	5	0	ADP-sugar	Escherichia coli metabolite; mouse metabolite
2-aminoethoxydiphenyl borate	[no description available]	medium	2	0	organoboron compound; primary amino compound	calcium channel blocker; IP3 receptor antagonist; potassium channel opener
3-n-butylphthalide	[no description available]	medium	1	0	benzofurans
guanosine diphosphate	[no description available]	medium	3	0	guanosine 5'-phosphate; purine ribonucleoside 5'-diphosphate	Escherichia coli metabolite; mouse metabolite; uncoupling protein inhibitor
naphthazarin	[no description available]	medium	3	0	hydroxy-1,4-naphthoquinone	acaricide; antibacterial agent; antineoplastic agent; apoptosis inducer; geroprotector; plant metabolite
amplex red	[no description available]	medium	3	0
2',7'-dichlorodihydrofluorescein diacetate	[no description available]	medium	3	0
heme	[no description available]	medium	7	0
oxadiazoles	[no description available]	medium	3	0
bay 58-2667	[no description available]	medium	1	0	aromatic ether; benzoic acids; dicarboxylic acid; tertiary amino compound	antihypertensive agent; soluble guanylate cyclase activator; vasodilator agent
dinitrofluorobenzene	[no description available]	medium	2	0	C-nitro compound; organofluorine compound	agrochemical; allergen; chromatographic reagent; EC 2.7.3.2 (creatine kinase) inhibitor; protein-sequencing agent; spectrophotometric reagent
mersalyl	[no description available]	medium	14	0
carboxyatractyloside	[no description available]	medium	8	0
atractyloside	[no description available]	medium	24	0
3,3'-dihexyl-2,2'-oxacarbocyanine	[no description available]	medium	4	0
allose	[no description available]	medium	1	0	allopyranose; D-allose	antioxidant
3-hydroxybutyryl-coenzyme a	[no description available]	medium	1	0	3-hydroxyacyl-CoA; hydroxybutanoyl-CoA	mouse metabolite
pantothenic acid	[no description available]	medium	2	0	pantothenic acid; vitamin B5	antidote to curare poisoning; geroprotector; human blood serum metabolite
acridines	[no description available]	medium	6	0	acridines; mancude organic heterotricyclic parent; polycyclic heteroarene	genotoxin
1,2-dihydroxybenzene-3,5-disulfonic acid disodium salt	[no description available]	medium	2	0	organic molecular entity
8-nitroguanosine 3',5'-cyclic monophosphate	[no description available]	medium	1	0	3',5'-cyclic purine nucleotide; C-nitro compound	biomarker; Brassica napus metabolite; human metabolite; signalling molecule
2,4-diaminotoluene	[no description available]	medium	1	0	aminotoluene	metabolite
aniline	[no description available]	medium	1	0	anilines; primary arylamine
3,4-dihydro-3,4-dibromo-6-bromomethylcoumarin	[no description available]	medium	1	0
dicarbethoxydihydrocollidine	[no description available]	medium	1	0	dihydropyridine; ethyl ester	hepatic steatosis inducing agent
zinc oxide	[no description available]	medium	1	0	zinc molecular entity
citric acid, anhydrous	[no description available]	medium	2	0	tricarboxylic acid	antimicrobial agent; chelator; food acidity regulator; fundamental metabolite
dinitrochlorobenzene	[no description available]	medium	2	0	C-nitro compound; monochlorobenzenes	allergen; epitope; sensitiser
lead	[no description available]	medium	3	0	carbon group element atom; elemental lead; metal atom	neurotoxin
s-adenosylmethionine	[no description available]	medium	1	0	sulfonium betaine	human metabolite
endothelin-1	[no description available]	medium	6	0
ubiquinone q2	[no description available]	medium	4	0	ubiquinones
osu 6162	[no description available]	medium	1	0
lignans	[no description available]	medium	2	0
3-(6-isobutyl-9-methoxy-1,4-dioxo-1,2,3,4,6,7,12,12a-octahydropyrazino(1',2'-1,6)pyrido(3,4-b)indol-3-yl)propionic acid tert-butyl ester	[no description available]	medium	1	0
chrysotoxine	[no description available]	medium	1	0
1-trichloromethyl-1,2,3,4-tetrahydro-beta-carboline	[no description available]	medium	1	0
oligomycin c	[no description available]	medium	1	0
paeonol	[no description available]	medium	1	0	methoxybenzenes; phenols	metabolite
echinacoside	[no description available]	medium	2	0	oligosaccharide
triphenyltetrazolium	[no description available]	medium	1	0	organic cation
bms 747158-02	[no description available]	medium	1	0
sodium cyanate	[no description available]	medium	1	0	cyanate salt; one-carbon compound
1-methylpyridinium	[no description available]	medium	1	0	methylpyridines
oxytocin	[no description available]	medium	1	0	heterodetic cyclic peptide; peptide hormone	oxytocic; vasodilator agent
benzyloxycarbonylvalyl-alanyl-aspartyl fluoromethyl ketone	[no description available]	medium	4	0
palmitic acid	[no description available]	medium	8	0	long-chain fatty acid; straight-chain saturated fatty acid	algal metabolite; Daphnia magna metabolite; EC 1.1.1.189 (prostaglandin-E2 9-reductase) inhibitor; plant metabolite
2-(3,4-dimethoxyphenyl)-1-(5-methoxy-2,2-dimethyl-2h-chromen-6-yl)ethanone	[no description available]	medium	1	0
phloroglucinol	[no description available]	medium	1	0	benzenetriol; phenolic donor	algal metabolite
1-anilino-8-naphthalenesulfonate	[no description available]	medium	2	0	aminonaphthalene; naphthalenesulfonic acid	fluorescent probe
irgarol 1051	[no description available]	medium	1	0	aryl sulfide; cyclopropanes; diamino-1,3,5-triazine	antifouling biocide; environmental contaminant; xenobiotic
thyroxine	[no description available]	medium	13	0	2-halophenol; iodophenol; L-phenylalanine derivative; non-proteinogenic L-alpha-amino acid; thyroxine zwitterion; thyroxine	antithyroid drug; human metabolite; mouse metabolite; thyroid hormone
alpha-asarone	[no description available]	medium	1	0	asarone	anticonvulsant; GABA modulator
dimethyl succinate	[no description available]	medium	1	0	fatty acid methyl ester
monomethyl succinate	[no description available]	medium	3	0	dicarboxylic acid monoester; hemisuccinate
4-nitroquinoline-1-oxide	[no description available]	medium	3	0	C-nitro compound; quinoline N-oxide	carcinogenic agent
carbostyril	[no description available]	medium	1	0	monohydroxyquinoline; quinolone	bacterial xenobiotic metabolite
amitrole	[no description available]	medium	2	0	aromatic amine; triazoles	carotenoid biosynthesis inhibitor; EC 1.11.1.6 (catalase) inhibitor; herbicide
ferrous sulfate	[no description available]	medium	2	0	iron molecular entity; metal sulfate	reducing agent
diuron	[no description available]	medium	2	0	3-(3,4-substituted-phenyl)-1,1-dimethylurea; dichlorobenzene	environmental contaminant; mitochondrial respiratory-chain inhibitor; photosystem-II inhibitor; urea herbicide; xenobiotic
hydrogen carbonate	[no description available]	medium	8	0	carbon oxoanion	cofactor; Escherichia coli metabolite; human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite
acid phosphatase	[no description available]	medium	11	0
fumaric acid	[no description available]	medium	3	0	butenedioic acid	food acidity regulator; fundamental metabolite; geroprotector
diphenyliodonium	[no description available]	medium	8	0
fumarates	[no description available]	medium	21	0	butenedioate; C4-dicarboxylate	human metabolite; metabolite; Saccharomyces cerevisiae metabolite
4-chloromercuribenzenesulfonate	[no description available]	medium	6	0	arenesulfonic acid; arylmercury compound
piperonyl butoxide	[no description available]	medium	6	1	benzodioxoles	pesticide synergist
trisialoganglioside gt1	[no description available]	medium	1	0
azoxymethane	[no description available]	medium	2	0
oxalic acid	[no description available]	medium	1	0	alpha,omega-dicarboxylic acid	algal metabolite; human metabolite; plant metabolite
2',7'-dichlorodihydrofluorescein	[no description available]	medium	2	0
3,3'-diaminobenzidine	[no description available]	medium	1	0	biphenyls; substituted aniline	histological dye
1,1'-diethyl-2,2'-cyanine	[no description available]	medium	1	0	1,1'-diethyl-2,2'-cyanine; quinolines
vanoxerine	[no description available]	medium	2	0	ether; N-alkylpiperazine; organofluorine compound; tertiary amino compound	dopamine uptake inhibitor
3-methoxytyramine	[no description available]	medium	1	0	monomethoxybenzene; phenols; phenylethylamine; primary amino compound	biomarker; human blood serum metabolite; human urinary metabolite
4-butyrolactone	[no description available]	medium	1	0	butan-4-olide	metabolite; neurotoxin
acetogenins	[no description available]	medium	3	0
3-iodo-5-chloro-n-(2-chloro-5-((4-chlorophenyl)sulphonyl)phenyl)-2-hydroxybenzamide	[no description available]	medium	1	0
mazindol	[no description available]	medium	2	0	organic molecular entity
euk-134	[no description available]	medium	1	0
salicylates	[no description available]	medium	7	0	monohydroxybenzoate	plant metabolite
1-(4-methoxyphenyl)pyridinium	[no description available]	medium	3	0
4,4'-diisothiocyanostilbene-2,2'-disulfonic acid	[no description available]	medium	7	0
fraxetin	[no description available]	medium	4	0	aromatic ether; hydroxycoumarin	anti-inflammatory agent; antibacterial agent; antimicrobial agent; antioxidant; apoptosis inducer; apoptosis inhibitor; Arabidopsis thaliana metabolite; hepatoprotective agent; hypoglycemic agent
indazoles	[no description available]	medium	6	0	indazole
glyoxal	[no description available]	medium	1	0	dialdehyde	agrochemical; allergen; pesticide; plant growth regulator
demecolcine	[no description available]	medium	1	0	alkaloid; secondary amino compound	antineoplastic agent; microtubule-destabilising agent
(3,4-dihydroxyphenylamino)-2-imidazoline	[no description available]	medium	1	0
digitonin	[no description available]	medium	18	0
thiopental	[no description available]	medium	2	0	barbiturates	anticonvulsant; drug allergen; environmental contaminant; intravenous anaesthetic; sedative; xenobiotic
amobarbital	[no description available]	medium	132	0	barbiturates
methylene glycol	[no description available]	medium	1	0	aldehyde hydrate; methanediols; one-carbon compound
diphenhydramine	[no description available]	medium	1	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
edetic acid	[no description available]	medium	37	0	ethylenediamine derivative; polyamino carboxylic acid; tetracarboxylic acid	anticoagulant; antidote; chelator; copper chelator; geroprotector
guaiacol	[no description available]	medium	1	0	guaiacols	disinfectant; EC 1.1.1.25 (shikimate dehydrogenase) inhibitor; expectorant; plant metabolite
indophenol	[no description available]	medium	10	0	quinone imine	dye
tin	[no description available]	medium	2	0	carbon group element atom; elemental tin; metal atom	micronutrient
choline	[no description available]	medium	10	0	cholines	allergen; Daphnia magna metabolite; Escherichia coli metabolite; human metabolite; mouse metabolite; neurotransmitter; nutrient; plant metabolite; Saccharomyces cerevisiae metabolite
pyrophosphate	[no description available]	medium	2	0	diphosphate ion
4-phenylenediamine	[no description available]	medium	2	0	phenylenediamine	allergen; dye; hapten; reagent
1,7-phenanthroline	[no description available]	medium	13	0	phenanthroline
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
annonacin	[no description available]	medium	2	0
gyki 52466	[no description available]	medium	1	0	benzodiazepine
mannose	[no description available]	medium	2	0	D-aldohexose; D-mannose; mannopyranose	metabolite
galactose	[no description available]	medium	4	0
ferrous chloride	[no description available]	medium	3	0	iron coordination entity
dicyclohexylcarbodiimide	[no description available]	medium	14	0	carbodiimide	ATP synthase inhibitor; cross-linking reagent; peptide coupling reagent
pyrazinoic acid	[no description available]	medium	1	0	pyrazinecarboxylic acid	antitubercular agent; drug metabolite
potassium phosphate	[no description available]	medium	1	0	inorganic phosphate salt; inorganic potassium salt
diaminodurene	[no description available]	medium	1	0
plastoquinone	[no description available]	medium	2	0	plastoquinone
sym-trinitrobenzene	[no description available]	medium	1	0	trinitrobenzene	explosive
2-iodo-6-isopropyl-3-methyl-2',4,4'-trinitrodiphenyl ether	[no description available]	medium	1	0
platinum tetrachloride	[no description available]	medium	1	0	platinum coordination entity	catalyst; reagent
arachidonyltrifluoromethane	[no description available]	medium	1	0	fatty acid derivative; ketone; olefinic compound; organofluorine compound	EC 3.1.1.4 (phospholipase A2) inhibitor
oxalates	[no description available]	medium	2	0
racemetirosine	[no description available]	medium	3	0
ryanodine	[no description available]	medium	5	0
aminolevulinic acid	[no description available]	medium	1	0	4-oxo monocarboxylic acid; amino acid zwitterion; delta-amino acid	antineoplastic agent; dermatologic drug; Escherichia coli metabolite; human metabolite; mouse metabolite; photosensitizing agent; plant metabolite; prodrug; Saccharomyces cerevisiae metabolite
protoporphyrin ix	[no description available]	medium	3	0
clonazepam	[no description available]	medium	2	0	1,4-benzodiazepinone; monochlorobenzenes	anticonvulsant; anxiolytic drug; GABA modulator
bongkrekic acid	[no description available]	medium	5	0	ether; olefinic compound; tricarboxylic acid	apoptosis inhibitor; ATP/ADP translocase inhibitor; bacterial metabolite; EC 2.5.1.18 (glutathione transferase) inhibitor; toxin
oligomycin b	[no description available]	medium	3	0
cgp 37157	[no description available]	medium	2	0	benzothiazepine
methoxychlor	[no description available]	medium	1	0	organochlorine insecticide
safranine t	[no description available]	medium	6	0	organic chloride salt	fluorochrome; histological dye
2-phenylsuccinate	[no description available]	medium	1	0
glyceraldehyde 3-phosphate	[no description available]	medium	1	0	glyceraldehyde 3-phosphate	mouse metabolite
nicotinamide-hypoxanthine dinucleotide	[no description available]	medium	3	0
alamethicin	[no description available]	medium	1	0
o-iodoxybenzoic acid	[no description available]	medium	1	0	benziodoxole	EC 3.1.3.48 (protein-tyrosine-phosphatase) inhibitor; oxidising agent
1,2-bis(2-aminophenoxy)ethane-n,n,n',n'-tetraacetic acid	[no description available]	medium	6	0	polyamino carboxylic acid; tetracarboxylic acid	chelator
potassium chloride	[no description available]	medium	24	0	inorganic chloride; inorganic potassium salt; potassium salt	fertilizer
luminol	[no description available]	medium	2	0
resiniferatoxin	[no description available]	medium	1	0	carboxylic ester; diterpenoid; enone; monomethoxybenzene; organic heteropentacyclic compound; ortho ester; phenols; tertiary alpha-hydroxy ketone	analgesic; neurotoxin; plant metabolite; TRPV1 agonist
10,10'-dimethyl-9,9'-biacridinium	[no description available]	medium	3	0
oxypurinol	[no description available]	medium	5	0	pyrazolopyrimidine	drug metabolite; EC 1.17.3.2 (xanthine oxidase) inhibitor
fluorexon	[no description available]	medium	1	0	xanthene dye	fluorochrome
guanine	[no description available]	medium	1	0	2-aminopurines; oxopurine; purine nucleobase	algal metabolite; Escherichia coli metabolite; human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite
cytosine	[no description available]	medium	1	0	aminopyrimidine; pyrimidine nucleobase; pyrimidone	Escherichia coli metabolite; human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite
guanosine	[no description available]	medium	2	0	guanosines; purines D-ribonucleoside	fundamental metabolite
glycerol	[no description available]	medium	18	0	alditol; triol	algal metabolite; detergent; Escherichia coli metabolite; geroprotector; human metabolite; mouse metabolite; osmolyte; Saccharomyces cerevisiae metabolite; solvent
oligonucleotides	[no description available]	medium	1	0
meclofenamic acid	[no description available]	medium	1	0	aminobenzoic acid; organochlorine compound; secondary amino compound	analgesic; anticonvulsant; antineoplastic agent; antipyretic; antirheumatic drug; EC 1.13.11.34 (arachidonate 5-lipoxygenase) inhibitor; EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor; non-steroidal anti-inflammatory drug
fluoromethyl 2,2-difluoro-1-(trifluoromethyl)vinyl ether	[no description available]	medium	1	0	organofluorine compound
valine	[no description available]	medium	3	0	L-alpha-amino acid zwitterion; L-alpha-amino acid; proteinogenic amino acid; pyruvate family amino acid; valine	algal metabolite; Escherichia coli metabolite; human metabolite; micronutrient; mouse metabolite; nutraceutical; Saccharomyces cerevisiae metabolite
2',7'-bis(carboxyethyl)-5(6)-carboxyfluorescein	[no description available]	medium	4	0
benserazide	[no description available]	medium	1	0	carbohydrazide; catechols; primary alcohol; primary amino compound	antiparkinson drug; dopaminergic agent; EC 4.1.1.28 (aromatic-L-amino-acid decarboxylase) inhibitor
methylmalonic acid	[no description available]	medium	1	0	C4-dicarboxylic acid	human metabolite
blastmycin	[no description available]	medium	1	0	amidobenzoic acid
ubiquinone 9	[no description available]	medium	1	0	ubiquinones	antioxidant; human metabolite
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
thallium	[no description available]	medium	4	0	boron group element atom
thallium chloride	[no description available]	medium	1	0	inorganic chloride; thallium molecular entity
delta-1-pyrroline-5-carboxylate	[no description available]	medium	1	0	1-pyrroline-5-carboxylate
2,4-thiazolidinedione	[no description available]	medium	1	0	thiazolidenedione
dibucaine	[no description available]	medium	2	0	aromatic ether; monocarboxylic acid amide; tertiary amino compound	topical anaesthetic
w 7	[no description available]	medium	2	0
sesamin	[no description available]	medium	1	0	benzodioxoles; furofuran; lignan	antineoplastic agent; neuroprotective agent; plant metabolite
2',7'-dichlorofluorescein	[no description available]	medium	5	0	2-benzofurans	fluorochrome
4-anisidine	[no description available]	medium	1	0	methoxybenzenes; primary amino compound; substituted aniline	genotoxin; reagent
metaproterenol	[no description available]	medium	1	0	aralkylamino compound; phenylethanolamines; resorcinols; secondary alcohol; secondary amino compound
resorcinol	[no description available]	medium	1	0	benzenediol; phenolic donor; resorcinols	erythropoietin inhibitor; sensitiser
coelenterazine	[no description available]	medium	1	0
s-tetradecanoyl-coenzyme a	[no description available]	medium	1	0	11,12-saturated fatty acyl-CoA; long-chain fatty acyl-CoA	Escherichia coli metabolite; mouse metabolite
ag 1879	[no description available]	medium	1	0	aromatic amine; monochlorobenzenes; pyrazolopyrimidine	beta-adrenergic antagonist; EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor; geroprotector
hydroxide ion	[no description available]	medium	1	0	oxygen hydride	mouse metabolite
2,3-dihydroxybenzoic acid	[no description available]	medium	3	0	dihydroxybenzoic acid	human xenobiotic metabolite; plant metabolite
erdosteine	[no description available]	medium	1	0	N-acyl-amino acid
bucladesine	[no description available]	medium	10	0	3',5'-cyclic purine nucleotide
fluoroacetic acid	[no description available]	medium	1	0	haloacetic acid; organofluorine compound	EC 4.2.1.3 (aconitate hydratase) inhibitor
carbonyl 3-chlorophenylhydrazone	[no description available]	medium	2	0
ovalbumin	[no description available]	medium	1	0
boc-d-fmk	[no description available]	medium	1	0
dehydroascorbic acid	[no description available]	medium	3	0	dehydroascorbic acid; vitamin C	coenzyme; mouse metabolite
thioflavin t	[no description available]	medium	3	0	organic chloride salt	fluorochrome; geroprotector; histological dye
taurochenodeoxycholic acid	[no description available]	medium	1	0	bile acid taurine conjugate	human metabolite; mouse metabolite
rhod-2	[no description available]	medium	2	0
tricalcium phosphate	[no description available]	medium	2	0	calcium phosphate
noc 18	[no description available]	medium	1	0
4-(n-methyl-n-nitrosamino)-1-(3-pyridyl)-1-butanone	[no description available]	medium	2	0	nitrosamine; pyridines
harmine	[no description available]	medium	3	0	harmala alkaloid	anti-HIV agent; EC 1.4.3.4 (monoamine oxidase) inhibitor; metabolite
knk 437	[no description available]	medium	1	0
sapropterin	[no description available]	medium	1	0	5,6,7,8-tetrahydrobiopterin	coenzyme; cofactor; diagnostic agent; human metabolite
phytanic acid	[no description available]	medium	5	0	branched-chain saturated fatty acid; long-chain fatty acid; methyl-branched fatty acid
propyl gallate	[no description available]	medium	2	0	trihydroxybenzoic acid
chlorophyll a	[no description available]	medium	6	0	chlorophyll; methyl ester	cofactor
s-nitro-n-acetylpenicillamine	[no description available]	medium	3	0
nsc 83265	[no description available]	medium	1	0	benzenoid aromatic compound
dimethylenastron	[no description available]	medium	1	0
cobalt	[no description available]	medium	6	0	cobalt group element atom; metal allergen	micronutrient
ucn 1028 c	[no description available]	medium	1	0
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
benzo-1,2,3-thiadiazole	[no description available]	medium	1	0
dextroamphetamine	[no description available]	medium	1	0	1-phenylpropan-2-amine	adrenergic agent; adrenergic uptake inhibitor; dopamine uptake inhibitor; dopaminergic agent; neurotoxin; sympathomimetic agent
beta-n-methylamino-l-alanine	[no description available]	medium	1	0	diamino acid; L-alanine derivative; non-proteinogenic L-alpha-amino acid; secondary amino compound	bacterial metabolite; neurotoxin
tetraphenylphosphonium	[no description available]	medium	1	0	heteroorganic entity; phosphorus molecular entity; polyatomic cation
triphenylmethylphosphonium	[no description available]	medium	2	0
avicin g	[no description available]	medium	1	0
avicin d	[no description available]	medium	1	0
carnosol	[no description available]	medium	1	0	diterpenoid
phenanthrenes	[no description available]	medium	7	0
benzohydroxamic acid	[no description available]	medium	1	0
oxazolidin-2-one	[no description available]	medium	1	0	carbamate ester; oxazolidinone	metabolite
ditiocarb	[no description available]	medium	6	0	dithiocarbamic acids	chelator; copper chelator
anthracene-1-carboxylic acid	[no description available]	medium	1	0	anthroic acid
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
myelin basic protein	[no description available]	medium	1	0
benzofuran	[no description available]	medium	1	0	1-benzofurans; benzofuran
hydroxytriamterene sulfate ester	[no description available]	medium	1	0
4-phenylbutyric acid	[no description available]	medium	1	0	monocarboxylic acid	antineoplastic agent; apoptosis inducer; EC 3.5.1.98 (histone deacetylase) inhibitor; prodrug
strophanthidin	[no description available]	medium	1	0	14beta-hydroxy steroid; 19-oxo steroid; 3beta-hydroxy steroid; 5beta-hydroxy steroid; cardenolides; steroid aldehyde
alpha-amino-3-hydroxy-5-methyl-4-isoxazolepropionic acid	[no description available]	medium	2	0	non-proteinogenic alpha-amino acid
mesoxalonitrile	[no description available]	medium	1	0	alpha-ketonitrile; nitrile
guanosine triphosphate	[no description available]	medium	4	0	guanosine 5'-phosphate; purine ribonucleoside 5'-triphosphate	Escherichia coli metabolite; mouse metabolite; uncoupling protein inhibitor
adenosine 5'-o-(3-thiotriphosphate)	[no description available]	medium	1	0	nucleoside triphosphate analogue
uridine triphosphate	[no description available]	medium	1	0	pyrimidine ribonucleoside 5'-triphosphate; uridine 5'-phosphate	Escherichia coli metabolite; mouse metabolite
5'-adenylyl (beta,gamma-methylene)diphosphonate	[no description available]	medium	1	0	nucleoside triphosphate analogue
cyanine dye 3	[no description available]	medium	1	0
8-((4-chlorophenyl)thio)cyclic-3',5'-gmp	[no description available]	medium	1	0	3',5'-cyclic purine nucleotide; aryl sulfide; organochlorine compound; ribonucleotide	protein kinase agonist
osteoprotegerin	[no description available]	medium	1	0	long-chain fatty acid
leucine	[no description available]	medium	7	0	amino acid zwitterion; L-alpha-amino acid; leucine; proteinogenic amino acid; pyruvate family amino acid	algal metabolite; Escherichia coli metabolite; human metabolite; mouse metabolite; plant metabolite; Saccharomyces cerevisiae metabolite
acebutolol	[no description available]	medium	1	0	aromatic amide; ethanolamines; ether; monocarboxylic acid amide; propanolamine; secondary amino compound	anti-arrhythmia drug; antihypertensive agent; beta-adrenergic antagonist; sympathomimetic agent
inositol 1,4,5-trisphosphate	[no description available]	medium	3	0	myo-inositol trisphosphate	mouse metabolite
icatibant	[no description available]	medium	1	0
thiazolidines	[no description available]	medium	2	0	thiazolidine
oxalylglycine	[no description available]	medium	1	0	amino dicarboxylic acid; N-acylglycine	EC 1.14.11.* (oxidoreductase acting on paired donors, 2-oxoglutarate as one donor, incorporating 1 atom each of oxygen into both donors) inhibitor
cobaltous chloride	[no description available]	medium	3	0	cobalt salt; inorganic chloride	allergen; calcium channel blocker; sensitiser; two-colour indicator
rhodoquinone	[no description available]	medium	1	0
hypoxanthine	[no description available]	medium	1	0	nucleobase analogue; oxopurine; purine nucleobase	fundamental metabolite
protocatechuic acid	[no description available]	medium	1	0	catechols; dihydroxybenzoic acid	antineoplastic agent; EC 1.1.1.25 (shikimate dehydrogenase) inhibitor; EC 1.14.11.2 (procollagen-proline dioxygenase) inhibitor; human xenobiotic metabolite; plant metabolite
fluorescein	[no description available]	medium	3	0	2-benzofurans; gamma-lactone; organic heteropentacyclic compound; oxaspiro compound; polyphenol; xanthene dye	fluorescent dye; radioopaque medium
nsc 23766	[no description available]	medium	1	0	hydrochloride	antiviral agent; apoptosis inducer; EC 3.6.5.2 (small monomeric GTPase) inhibitor; muscarinic antagonist
ozone	[no description available]	medium	1	0	elemental molecule; gas molecular entity; reactive oxygen species; triatomic oxygen	antiseptic drug; disinfectant; electrophilic reagent; greenhouse gas; mutagen; oxidising agent; tracer
trypan blue	[no description available]	medium	4	0
methyl methanesulfonate	[no description available]	medium	1	0	methanesulfonate ester	alkylating agent; apoptosis inducer; carcinogenic agent; genotoxin; mutagen
pyridoxal phosphate	[no description available]	medium	2	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
2-tert-butylhydroquinone	[no description available]	medium	1	0	hydroquinones	food antioxidant
thiram	[no description available]	medium	1	0	organic disulfide	antibacterial drug; antifungal agrochemical; antiseptic drug
sulfites	[no description available]	medium	10	0	divalent inorganic anion; sulfur oxide; sulfur oxoanion
silicon	[no description available]	medium	2	0	carbon group element atom; metalloid atom; nonmetal atom
rubidium	[no description available]	medium	12	0	alkali metal atom
arsenazo iii	[no description available]	medium	1	0
harmol	[no description available]	medium	1	0	harmala alkaloid
ronnel	[no description available]	medium	1	0	organic thiophosphate
alloxan	[no description available]	medium	2	0	pyrimidone	hyperglycemic agent; metabolite
nitrous oxide	[no description available]	medium	2	0	gas molecular entity; nitrogen oxide	analgesic; bacterial metabolite; food packaging gas; food propellant; general anaesthetic; greenhouse gas; inhalation anaesthetic; NMDA receptor antagonist; raising agent; refrigerant; vasodilator agent
fluorescamine	[no description available]	medium	1	0
acetaldehyde	[no description available]	medium	7	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
2-(n-heptyl)-4-hydroxyquinoline n-oxide	[no description available]	medium	7	0	monohydroxyquinoline
5-iminodaunorubicin	[no description available]	medium	3	0
1,10-phenanthroline	[no description available]	medium	1	0	phenanthroline	EC 2.7.1.1 (hexokinase) inhibitor; EC 3.4.19.3 (pyroglutamyl-peptidase I) inhibitor
deoxyuridine	[no description available]	medium	1	0	pyrimidine 2'-deoxyribonucleoside	Escherichia coli metabolite; human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite
methyldimethylaminoazobenzene	[no description available]	medium	1	0
p-dimethylaminoazobenzene	[no description available]	medium	1	0	azobenzenes
laccase	[no description available]	medium	1	0
pantogab	[no description available]	medium	1	0
isocaproic acid	[no description available]	medium	1	0	branched-chain saturated fatty acid; medium-chain fatty acid; methyl-branched fatty acid	human metabolite
(20s)-20-hydroxycholesterol	[no description available]	medium	1	0	20-hydroxy steroid; 3beta-hydroxy-Delta(5)-steroid; oxysterol	human metabolite; mouse metabolite
glutaminase	[no description available]	medium	8	0
levoleucovorin	[no description available]	medium	1	0	5-formyltetrahydrofolic acid	antineoplastic agent; metabolite
2-n-propyl-3-dimethylamino-5,6-methylenedioxyindene	[no description available]	medium	1	0
leupeptin	[no description available]	medium	1	0	aldehyde; tripeptide	bacterial metabolite; calpain inhibitor; cathepsin B inhibitor; EC 3.4.21.4 (trypsin) inhibitor; serine protease inhibitor
tiglyl-coenzyme a	[no description available]	medium	1	0	2-enoyl-CoA; monounsaturated fatty acyl-CoA
sepharose	[no description available]	medium	1	0
dodecyldimethylamine oxide	[no description available]	medium	1	0	tertiary amine oxide	detergent; plant metabolite
virginiamycin	[no description available]	medium	1	0
2-keto-4-methylvalerate	[no description available]	medium	2	0	2-oxo monocarboxylic acid; branched-chain keto acid	algal metabolite; human metabolite
tropolone	[no description available]	medium	1	0	alpha-hydroxy ketone; cyclic ketone; enol	bacterial metabolite; fungicide; toxin
beta-thujaplicin	[no description available]	medium	1	0	cyclic ketone; enol; monoterpenoid	antibacterial agent; antifungal agent; antineoplastic agent; antiplasmodial drug; plant metabolite
ubiquinone q3	[no description available]	medium	1	0
hexanoic acid	[no description available]	medium	1	0	medium-chain fatty acid; straight-chain saturated fatty acid	human metabolite; plant metabolite
rutamycin	[no description available]	medium	10	0
cesium	[no description available]	medium	5	0	alkali metal atom
nonactin	[no description available]	medium	1	0
vanadates	[no description available]	medium	6	0	trivalent inorganic anion; vanadium oxoanion	EC 3.1.3.1 (alkaline phosphatase) inhibitor; EC 3.1.3.16 (phosphoprotein phosphatase) inhibitor; EC 3.1.3.41 (4-nitrophenylphosphatase) inhibitor; EC 3.1.3.48 (protein-tyrosine-phosphatase) inhibitor
glucagon	[no description available]	medium	7	0	peptide hormone
yohimbine	[no description available]	medium	1	0	methyl 17-hydroxy-20xi-yohimban-16-carboxylate	alpha-adrenergic antagonist; dopamine receptor D2 antagonist; serotonergic antagonist
camphor, (+-)-isomer	[no description available]	medium	1	0	bornane monoterpenoid; cyclic monoterpene ketone	plant metabolite
strontium	[no description available]	medium	8	0	alkaline earth metal atom
benzoxazoles	[no description available]	medium	1	0	1,3-benzoxazoles; mancude organic heterobicyclic parent
dinitrobenzenes	[no description available]	medium	1	0
aminooxyacetic acid	[no description available]	medium	11	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
fluorocitrate	[no description available]	medium	1	0	carbonyl compound
acetic acid	[no description available]	medium	3	0	monocarboxylic acid	antimicrobial food preservative; Daphnia magna metabolite; food acidity regulator; protic solvent
tellurium	[no description available]	medium	3	0	chalcogen; metalloid atom
tellurous acid	[no description available]	medium	1	0	tellurium oxoacid
rhein	[no description available]	medium	4	0	dihydroxyanthraquinone
proadifen	[no description available]	medium	6	0	diarylmethane
metyrapone	[no description available]	medium	7	0	aromatic ketone	antimetabolite; diagnostic agent; EC 1.14.15.4 (steroid 11beta-monooxygenase) inhibitor
bromthymol blue	[no description available]	medium	1	0	2,1-benzoxathiole; arenesulfonate ester; organobromine compound; polyphenol; sultone	acid-base indicator; dye; two-colour indicator
putrescine	[no description available]	medium	3	0	alkane-alpha,omega-diamine	antioxidant; fundamental metabolite
duroquinol	[no description available]	medium	3	0	hydroquinones; methylbenzene	bacterial xenobiotic metabolite; volatile oil component
4-nitrophenylphosphate	[no description available]	medium	1	0	aryl phosphate	mouse metabolite
benzene 1,2,3-tricarboxylic acid	[no description available]	medium	1	0
7-ethoxycoumarin	[no description available]	medium	1	0	aromatic ether; coumarins
alpha-naphthoflavone	[no description available]	medium	1	0	extended flavonoid; naphtho-gamma-pyrone; organic heterotricyclic compound	aryl hydrocarbon receptor agonist; aryl hydrocarbon receptor antagonist; EC 1.14.14.14 (aromatase) inhibitor
thimerosal	[no description available]	medium	1	0	alkylmercury compound	antifungal drug; antiseptic drug; disinfectant; drug allergen
4-pentenoic acid	[no description available]	medium	2	0	pentenoic acid
8,11,14-eicosatrienoic acid	[no description available]	medium	1	0	fatty acid 20:3; long-chain fatty acid	fungal metabolite; human metabolite; nutraceutical
3-(4,5-dimethylthiazol-2-yl)-5-(3-carboxymethoxyphenyl)-2-(4-sulfophenyl)-2h-tetrazolium	[no description available]	medium	1	0
cumene hydroperoxide	[no description available]	medium	4	0	peroxol	environmental contaminant; Mycoplasma genitalium metabolite; oxidising agent
9,10-dimethyl-1,2-benzanthracene	[no description available]	medium	2	0	ortho-fused polycyclic arene; tetraphenes	carcinogenic agent
pituitrin	[no description available]	medium	8	0
iodonium thiophene	[no description available]	medium	1	0
thiabendazole	[no description available]	medium	1	0	1,3-thiazoles; benzimidazole fungicide; benzimidazoles	antifungal agrochemical; antinematodal drug
tyramine	[no description available]	medium	2	0	monoamine molecular messenger; primary amino compound; tyramines	EC 3.1.1.8 (cholinesterase) inhibitor; Escherichia coli metabolite; human metabolite; mouse metabolite; neurotransmitter
barium	[no description available]	medium	3	0	alkaline earth metal atom; elemental barium
1,3-butylene glycol	[no description available]	medium	1	0	butanediol; glycol
deoxyguanosine	[no description available]	medium	2	0	purine 2'-deoxyribonucleoside; purines 2'-deoxy-D-ribonucleoside	Escherichia coli metabolite; human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite
8-hydroxy-2'-deoxyguanosine	[no description available]	medium	2	0	guanosines	biomarker
helium	[no description available]	medium	1	0	monoatomic helium; noble gas atom; s-block element atom	food packaging gas
neon	[no description available]	medium	1	0	monoatomic neon; noble gas atom; p-block element atom
acrylamide	[no description available]	medium	1	0	acrylamides; N-acylammonia; primary carboxamide	alkylating agent; carcinogenic agent; Maillard reaction product; mutagen; neurotoxin
sulofenur	[no description available]	medium	1	0
hexafluorosilicate	[no description available]	medium	1	1	silicon coordination entity
diazinon	[no description available]	medium	2	1	organic thiophosphate; pyrimidines	acaricide; agrochemical; EC 3.1.1.7 (acetylcholinesterase) inhibitor; EC 3.1.1.8 (cholinesterase) inhibitor; environmental contaminant; nematicide; xenobiotic
cypermethrin	[no description available]	medium	2	1	aromatic ether; cyclopropanecarboxylate ester; nitrile; organochlorine compound	agrochemical; molluscicide; pyrethroid ester acaricide; pyrethroid ester insecticide
cyhalothrin	[no description available]	medium	1	1	aromatic ether; cyclopropanecarboxylate ester; nitrile; organochlorine compound; organofluorine compound	agrochemical; pyrethroid ester acaricide; pyrethroid ester insecticide
coumaphos	[no description available]	medium	1	1	organic thiophosphate; organochlorine compound; organothiophosphate insecticide	acaricide; agrochemical; antinematodal drug; avicide; EC 3.1.1.8 (cholinesterase) inhibitor
2-phenylphenol	[no description available]	medium	2	0	hydroxybiphenyls	antifungal agrochemical; environmental food contaminant
methylmethacrylate	[no description available]	medium	1	0	enoate ester; methyl ester	allergen; polymerisation monomer
nitrogen dioxide	[no description available]	medium	1	0	nitrogen oxide
sodium hypochlorite	[no description available]	medium	2	0	inorganic sodium salt	bleaching agent; disinfectant
4-phenylpyridine	[no description available]	medium	1	0	phenylpyridine
lanthanum	[no description available]	medium	10	0	f-block element atom; lanthanoid atom; scandium group element atom
masoprocol	[no description available]	medium	2	0	nordihydroguaiaretic acid	antineoplastic agent; hypoglycemic agent; lipoxygenase inhibitor; metabolite
fructose 2,6-diphosphate	[no description available]	medium	1	0	D-fructofuranose 2,6-bisphosphate	human metabolite; mouse metabolite
iodonitrotetrazolium	[no description available]	medium	1	0	organic chloride salt	histological dye
cremophor el	[no description available]	medium	1	0
4-chloro-7-nitrobenzofurazan	[no description available]	medium	1	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
sch 28080	[no description available]	medium	1	0	imidazopyridine
butacaine	[no description available]	medium	2	0	benzoate ester
4-aminobenzoic acid	[no description available]	medium	2	0	aminobenzoic acid; aromatic amino-acid zwitterion	allergen; Escherichia coli metabolite; plant metabolite
4-aminobenzoic acid	[no description available]	medium	2	0	aminobenzoate; aromatic amino-acid anion	Escherichia coli metabolite; plant metabolite; Saccharomyces cerevisiae metabolite
7-hydroxy-6,4'-dimethoxyisoflavone	[no description available]	medium	1	0	4'-methoxyisoflavones; 7-hydroxyisoflavones	plant metabolite
2-methylpentane	[no description available]	medium	2	0	alkane
raffinose	[no description available]	medium	2	0	raffinose family oligosaccharide; trisaccharide	mouse metabolite; plant metabolite; Saccharomyces cerevisiae metabolite
dibromosulphthalein	[no description available]	medium	2	0
diethylhexyl phthalate	[no description available]	medium	1	0	diester; phthalate ester	androstane receptor agonist; apoptosis inhibitor; plasticiser
4-boronophenylalanine	[no description available]	medium	1	0
phenylalanine	[no description available]	medium	2	0	amino acid zwitterion; erythrose 4-phosphate/phosphoenolpyruvate family amino acid; L-alpha-amino acid; phenylalanine; proteinogenic amino acid	algal metabolite; EC 3.1.3.1 (alkaline phosphatase) inhibitor; Escherichia coli metabolite; human xenobiotic metabolite; micronutrient; mouse metabolite; nutraceutical; plant metabolite; Saccharomyces cerevisiae metabolite
betadex	[no description available]	medium	1	0	cyclodextrin
thioinosine	[no description available]	medium	1	0
thymidine	[no description available]	medium	2	0	pyrimidine 2'-deoxyribonucleoside	Escherichia coli metabolite; human metabolite; metabolite; mouse metabolite
thiosulfates	[no description available]	medium	4	0	divalent inorganic anion; sulfur oxide; sulfur oxoanion	human metabolite
monobromobimane	[no description available]	medium	1	0	organobromine compound; pyrazolopyrazole	fluorochrome
pyrrolidine dithiocarbamate	[no description available]	medium	4	0	dithiocarbamic acids; pyrrolidines	anticonvulsant; antineoplastic agent; geroprotector; neuroprotective agent; NF-kappaB inhibitor; radical scavenger
calcium phosphate, dibasic, anhydrous	[no description available]	medium	1	0	calcium phosphate
calcium phosphate, monobasic, anhydrous	[no description available]	medium	1	0	calcium phosphate	fertilizer
calcium pyrophosphate	[no description available]	medium	1	0
copper sulfate	[no description available]	medium	1	0	metal sulfate	emetic; fertilizer; sensitiser
4-acetamido-4'-isothiocyanatostilbene-2,2'-disulfonic acid	[no description available]	medium	2	0	stilbenoid
acridine orange	[no description available]	medium	1	0	aminoacridines; aromatic amine; tertiary amino compound	fluorochrome; histological dye
formaldehyde	[no description available]	medium	3	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
acetone	[no description available]	medium	5	0	ketone body; methyl ketone; propanones; volatile organic compound	EC 3.5.1.4 (amidase) inhibitor; human metabolite; polar aprotic solvent
diethyl pyrocarbonate	[no description available]	medium	1	0	acyclic carboxylic anhydride
uridine diphosphate	[no description available]	medium	1	0	pyrimidine ribonucleoside 5'-diphosphate; uridine 5'-phosphate	Escherichia coli metabolite; mouse metabolite
s-nitrosocysteine	[no description available]	medium	1	0	L-cysteine derivative; nitrosothio compound	hematologic agent; platelet aggregation inhibitor; vasodilator agent
oxonol vi	[no description available]	medium	1	0
methionine sulfoximine	[no description available]	medium	1	0	methionine derivative; non-proteinogenic alpha-amino acid; sulfoximide
hydroxycitric acid	[no description available]	medium	1	0	carbonyl compound
8-bromocyclic gmp	[no description available]	medium	1	0	3',5'-cyclic purine nucleotide; organobromine compound	muscle relaxant; protein kinase G agonist
8-bromo cyclic adenosine monophosphate	[no description available]	medium	2	0	3',5'-cyclic purine nucleotide; adenyl ribonucleotide; organobromine compound	antidepressant; protein kinase agonist
dihydrorhodamine 123	[no description available]	medium	2	0
epothilone b	[no description available]	medium	1	0	epothilone; epoxide	antineoplastic agent; apoptosis inducer; microtubule-stabilising agent
diethylnitrosamine	[no description available]	medium	1	0	nitrosamine	carcinogenic agent; hepatotoxic agent; mutagen
hydroxyacetylaminofluorene	[no description available]	medium	2	0	2-acetamidofluorenes
2-nitrosofluorene	[no description available]	medium	1	0
p-chloromercuribenzoic acid	[no description available]	medium	1	0	chlorine molecular entity; mercuribenzoic acid
procaine	[no description available]	medium	1	0	benzoate ester; substituted aniline; tertiary amino compound	central nervous system depressant; drug allergen; local anaesthetic; peripheral nervous system drug
isoquinoline	[no description available]	medium	1	0	azaarene; isoquinolines; mancude organic heterobicyclic parent; ortho-fused heteroarene
dextrothyroxine	[no description available]	medium	2	0
moxidectin	[no description available]	medium	1	0
doramectin	[no description available]	medium	1	0	macrolide
phenylpyruvic acid	[no description available]	medium	1	0	2-oxo monocarboxylic acid	chromogenic compound; EC 6.4.1.1 (pyruvate carboxylase) inhibitor; fundamental metabolite
cyclosporin h	[no description available]	medium	1	0
aminopyrine	[no description available]	medium	6	0	pyrazolone; tertiary amino compound	antipyretic; environmental contaminant; non-narcotic analgesic; non-steroidal anti-inflammatory drug; xenobiotic
nitroblue tetrazolium	[no description available]	medium	1	0	organic cation
ubenimex	[no description available]	medium	1	0
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
adenylyl imidodiphosphate	[no description available]	medium	2	0	adenosine 5'-phosphate
lysophosphatidylcholines	[no description available]	medium	2	0	1-O-acyl-sn-glycero-3-phosphocholine
pyriminil	[no description available]	medium	1	0
isomurisolenin	[no description available]	medium	1	0
mag-fura-2-acetoxymethyl ester	[no description available]	medium	1	0
peroxynitric acid	[no description available]	medium	3	0	nitrogen oxoacid
2-phenyl-4,4,5,5-tetramethylimidazoline-1-oxyl-3-oxide	[no description available]	medium	1	0
ag 127	[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
dehydroepiandrosterone	[no description available]	medium	1	0	17-oxo steroid; 3beta-hydroxy-Delta(5)-steroid; androstanoid	androgen; human metabolite; mouse metabolite
3,4-dihydroxyphenylacetaldehyde	[no description available]	medium	3	0	alpha-CH2-containing aldehyde; catechols; phenylacetaldehydes	Escherichia coli metabolite; human metabolite; mouse metabolite
pervanadate	[no description available]	medium	1	0
al-01567	[no description available]	medium	1	0
hydantoins	[no description available]	medium	1	0	imidazolidine-2,4-dione
alpha-ketoisovalerate	[no description available]	medium	1	0	2-oxo monocarboxylic acid; branched-chain keto acid	human metabolite; Saccharomyces cerevisiae metabolite
mitotracker green fm	[no description available]	medium	1	0
manoalide	[no description available]	medium	1	0	butenolide; lactol; sesterterpenoid	EC 3.1.1.4 (phospholipase A2) inhibitor; EC 5.99.1.2 (DNA topoisomerase) inhibitor; EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor; metabolite
melitten	[no description available]	medium	2	0
guanidinopropionic acid	[no description available]	medium	1	0	guanidines; zwitterion	hypoglycemic agent
3,3,5,5-tetramethyl-1-pyrroline n-oxide	[no description available]	medium	1	0
technetium tc 99m sestamibi	[no description available]	medium	2	0
tocopherols	[no description available]	medium	3	0
metribolone	[no description available]	medium	1	0	17beta-hydroxy steroid; 3-oxo steroid; anabolic androgenic steroid	androgen
glycolipids	[no description available]	medium	1	0
epibatidine	[no description available]	medium	1	0
nornicotine	[no description available]	medium	1	0
hexamethonium	[no description available]	medium	1	0	quaternary ammonium salt
glycerophosphoinositol 4,5-bisphosphate	[no description available]	medium	1	0
thiazolidine-4-carboxylic acid	[no description available]	medium	1	0	alpha-amino acid zwitterion; non-proteinogenic alpha-amino acid; sulfur-containing amino acid; thiazolidinemonocarboxylic acid	antidote; antioxidant; hepatoprotective agent
quelamycin	[no description available]	medium	1	0
15-hydroxy-11 alpha,9 alpha-(epoxymethano)prosta-5,13-dienoic acid	[no description available]	medium	1	0
mercuric chloride	[no description available]	medium	1	0	mercury coordination entity	sensitiser
nickel	[no description available]	medium	2	0	metal allergen; nickel group element atom	epitope; micronutrient
diethyl maleate	[no description available]	medium	1	0	ethyl ester; maleate ester	glutathione depleting agent
3-o-methylglucose	[no description available]	medium	2	0	D-aldohexose derivative
n-(2-(methylamino)ethyl)-5-isoquinolinesulfonamide	[no description available]	medium	1	0	isoquinolines; sulfonamide
ethyl methanesulfonate	[no description available]	medium	2	0	methanesulfonate ester	alkylating agent; antineoplastic agent; carcinogenic agent; genotoxin; mutagen; teratogenic agent
phenylalanyl-cyclo(cysteinyltyrosyl-tryptophyl-ornithyl-threonyl-penicillamine)threoninamide	[no description available]	medium	1	0
homocysteine	[no description available]	medium	1	0	amino acid zwitterion; homocysteine; serine family amino acid	fundamental metabolite; mouse metabolite
4-hydroxyphenylacetic acid	[no description available]	medium	1	0	monocarboxylic acid; phenols	fungal metabolite; human metabolite; mouse metabolite; plant metabolite
arsenic acid	[no description available]	medium	1	0	arsenic oxoacid	Escherichia coli metabolite
nimbin	[no description available]	medium	1	0	acetate ester; cyclic terpene ketone; enone; furans; limonoid; methyl ester; tetracyclic triterpenoid	pesticide; plant metabolite
salannin	[no description available]	medium	1	0	acetate ester; furans; limonoid; methyl ester; organic heteropentacyclic compound	antifeedant; insect growth regulator; plant metabolite
ubiquinol	[no description available]	medium	3	0	polyprenylhydroquinone; ubiquinol	biomarker; metabolite
4,5-diaminofluorescein	[no description available]	medium	1	0
oxazoles	[no description available]	medium	4	0	1,3-oxazoles; mancude organic heteromonocyclic parent; monocyclic heteroarene
acebutolol	[no description available]	medium	3	0	alpha-D-glucosyl-(1->4)-D-mannopyranose
benzyl viologen	[no description available]	medium	1	0	bipyridines
methyl parathion	[no description available]	medium	1	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
aldrin	[no description available]	medium	1	0
tiaramide	[no description available]	medium	1	0	benzothiazoles
grisorixin	[no description available]	medium	1	0
diazooxonorleucine	[no description available]	medium	1	0	amino acid zwitterion; diazo compound; ketone; non-proteinogenic L-alpha-amino acid	analgesic; antibacterial agent; antimetabolite; antineoplastic agent; antiviral agent; apoptosis inducer; bacterial metabolite; EC 2.4.2.14 (amidophosphoribosyltransferase) inhibitor; EC 3.5.1.2 (glutaminase) inhibitor; EC 6.3.4.2 [CTP synthase (glutamine hydrolyzing)] inhibitor; EC 6.3.5.1 [NAD(+) synthase (glutamine-hydrolysing)] inhibitor; EC 6.3.5.2 [GMP synthase (glutamine-hydrolysing)] inhibitor; EC 6.3.5.3 (phosphoribosylformylglycinamidine synthase) inhibitor; EC 6.3.5.4 [asparagine synthase (glutamine-hydrolysing)] inhibitor; EC 6.3.5.5 [carbamoyl-phosphate synthase (glutamine-hydrolysing)] inhibitor; glutamine antagonist
clorgyline	[no description available]	medium	1	0	aromatic ether; dichlorobenzene; terminal acetylenic compound; tertiary amino compound	antidepressant; EC 1.4.3.4 (monoamine oxidase) inhibitor
methylphenazonium methosulfate	[no description available]	medium	2	0	azaheterocycle sulfate salt; phenazines
11-cis-retinal	[no description available]	medium	1	0	retinal	chromophore; human metabolite; mouse metabolite
oxyquinoline	[no description available]	medium	1	0	monohydroxyquinoline	antibacterial agent; antifungal agrochemical; antiseptic drug; iron chelator
acetoxyacetylaminofluorene	[no description available]	medium	1	0	2-acetamidofluorenes	carcinogenic agent; mutagen
showdomycin	[no description available]	medium	1	0
tetraphenylborate	[no description available]	medium	1	0
trimebutine	[no description available]	medium	1	0	trihydroxybenzoic acid
3,3'-dipropyl-2,2'-thiadicarbocyanine	[no description available]	medium	3	0
dihydroxyacetone phosphate	[no description available]	medium	1	0	glycerone phosphates; primary alpha-hydroxy ketone	Escherichia coli metabolite; human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite
dithionite	[no description available]	medium	4	0	sulfur oxide; sulfur oxoanion
cinnabarinic acid	[no description available]	medium	1	0	phenoxazine
ferrozine	[no description available]	medium	1	0
adrenochrome	[no description available]	medium	3	0	indoles
cobamamide	[no description available]	medium	1	0
hydroxocobalamin	[no description available]	medium	1	0
urea	[no description available]	medium	3	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
phosphorus radioisotopes	[no description available]	medium	5	0
guanosine diphosphate mannose	[no description available]	medium	1	0	GDP-D-mannose	Escherichia coli metabolite; human metabolite; mouse metabolite; plant metabolite
dithionitrobenzoic acid	[no description available]	medium	2	0	nitrobenzoic acid; organic disulfide	indicator
alpha-chymotrypsin	[no description available]	medium	1	0
malonyl coenzyme a	[no description available]	medium	1	0	malonyl-CoAs	EC 2.3.1.21 (carnitine O-palmitoyltransferase) inhibitor; Escherichia coli metabolite; metabolite; mouse metabolite
dimetridazole	[no description available]	medium	1	0	C-nitro compound; imidazoles	antiparasitic agent; antiprotozoal drug
misonidazole	[no description available]	medium	1	0
nitrofurazone	[no description available]	medium	1	0
2-(4-(dimethylamino)styryl)-1-methylpyridinium	[no description available]	medium	1	0	organic iodide salt; pyridinium salt; tertiary amine	fluorochrome
filipin	[no description available]	medium	3	0
2,4-dichlorophenoxyacetic acid	[no description available]	medium	1	0	chlorophenoxyacetic acid; dichlorobenzene	agrochemical; defoliant; EC 1.1.1.25 (shikimate dehydrogenase) inhibitor; environmental contaminant; phenoxy herbicide; synthetic auxin
acriflavine	[no description available]	medium	1	0
chlorine	[no description available]	medium	8	0	diatomic chlorine; gas molecular entity	bleaching agent
phenylthiourea	[no description available]	medium	1	0	thioureas	EC 1.14.18.1 (tyrosinase) inhibitor
6,6'-dithiodinicotinic acid	[no description available]	medium	2	0
porphobilinogen	[no description available]	medium	1	0	aralkylamino compound; dicarboxylic acid; pyrroles	Escherichia coli metabolite; metabolite; mouse metabolite
hexobarbital	[no description available]	medium	3	0	barbiturates
thiouracil	[no description available]	medium	1	0	nucleobase analogue; thiocarbonyl compound	antithyroid drug; metabolite
murexide	[no description available]	medium	1	0
erythrosine	[no description available]	medium	1	0
iodoacetamidoerythrosin	[no description available]	medium	1	0
pristanic acid	[no description available]	medium	1	0	branched-chain saturated fatty acid; long-chain fatty acid; methyl-branched fatty acid	human metabolite
flunarizine	[no description available]	medium	1	0	diarylmethane
2,9-dimethyl-beta-carbolinium	[no description available]	medium	1	0
lanthanum chloride	[no description available]	medium	1	0
methylmercuric chloride	[no description available]	medium	1	0	chlorine molecular entity; mercury coordination entity; one-carbon compound
chlordecone	[no description available]	medium	1	0	cyclic ketone; organochlorine compound	insecticide; persistent organic pollutant
1-methyl-4-(2'-ethylphenyl)-1,2,3,6-tetrahydropyridine	[no description available]	medium	1	0
p-methoxy-n-methylphenethylamine	[no description available]	medium	1	0	aromatic ether; secondary amino compound	metabolite
bis(1,3-diethylthiobarbiturate)trimethineoxonol	[no description available]	medium	1	0
dimethadione	[no description available]	medium	1	0	oxazolidinone
duroquinone	[no description available]	medium	2	0	1,4-benzoquinones
indo-1	[no description available]	medium	1	0	indoles	fluorochrome
hexacosanoic acid	[no description available]	medium	1	0	fatty acid 26:0; straight-chain saturated fatty acid; very long-chain fatty acid
b 807-27	[no description available]	medium	1	0
3,3'-dipentyl-2,2'-oxacarbocyanine	[no description available]	medium	1	0	benzoxazolium ion; cyanine dye	fluorochrome
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
methyl malonate	[no description available]	medium	1	0
1,1',3,3,3',3'-hexamethylindotricarbocyanine	[no description available]	medium	1	0
hadacidin	[no description available]	medium	2	0	aldehyde; monocarboxylic acid; N-hydroxy-alpha-amino-acid	antimicrobial agent; antineoplastic agent; Penicillium metabolite; teratogenic agent
sulfonazo iii	[no description available]	medium	1	0
xenon	[no description available]	medium	1	0	monoatomic xenon; noble gas atom; p-block element atom
imperatorin	[no description available]	medium	1	0	psoralens	EC 3.1.1.7 (acetylcholinesterase) inhibitor; metabolite
marmesin	[no description available]	medium	1	0	marmesin
chalepin	[no description available]	medium	1	0	furanocoumarin
sodium dodecyl sulfate	[no description available]	medium	1	0	organic sodium salt	detergent; protein denaturant
succinylacetone	[no description available]	medium	1	0	beta-diketone; dioxo monocarboxylic acid	human metabolite
phosphine	[no description available]	medium	1	0	mononuclear parent hydride; phosphanes; phosphine	carcinogenic agent; fumigant insecticide
4-hydroxybenzoic acid	[no description available]	medium	1	0	monohydroxybenzoic acid	algal metabolite; plant metabolite
propylparaben	[no description available]	medium	1	0	benzoate ester; paraben; phenols	antifungal agent; antimicrobial agent
ruthenium	[no description available]	medium	6	0	iron group element atom; platinum group metal atom
triethyltin	[no description available]	medium	1	0
trimethyltin	[no description available]	medium	1	0
triethyllead	[no description available]	medium	1	0
dequalinium	[no description available]	medium	1	0	quinolinium ion	antifungal agent; antineoplastic agent; antiseptic drug; mitochondrial NADH:ubiquinone reductase inhibitor
chromates	[no description available]	medium	1	0	chromium oxoanion; divalent inorganic anion	oxidising agent
albizziin	[no description available]	medium	1	0	non-proteinogenic L-alpha-amino acid
g(m1) ganglioside	[no description available]	medium	1	0	alpha-N-acetylneuraminosyl-(2->3)-[beta-D-galactosyl-(1->3)-N-acetyl-beta-D-galactosaminyl-(1->4)]-beta-D-galactosyl-(1->4)-beta-D-glucosyl-(1<->1')-N-acylsphingosine; sialotetraosylceramide
benzothiazole	[no description available]	medium	1	0	benzothiazoles	environmental contaminant; plant metabolite; xenobiotic
amoscanate	[no description available]	medium	1	0	C-nitro compound; isothiocyanate; secondary amino compound	schistosomicide drug
amocarzine	[no description available]	medium	1	0	C-nitro compound; N-methylpiperazine; secondary amino compound; thioureas	antinematodal drug
cgp 20376	[no description available]	medium	1	0
alpha-ketocaproic acid	[no description available]	medium	1	0	2-oxo monocarboxylic acid; medium-chain fatty acid; oxo fatty acid; straight-chain fatty acid	human blood serum metabolite
duramycin	[no description available]	medium	1	0	heterodetic cyclic peptide; macrocycle	antimicrobial agent; apoptosis inducer; bacterial metabolite
octanoyl-coenzyme a	[no description available]	medium	1	0
butyryl-coenzyme a	[no description available]	medium	1	0	butanoyl-CoAs	Escherichia coli metabolite; mouse metabolite
2-aminobicyclo(2,2,1)heptane-2-carboxylic acid	[no description available]	medium	1	0	monoterpenoid
nicotinamide mononucleotide	[no description available]	medium	1	0	nicotinamide mononucleotide	Escherichia coli metabolite; mouse metabolite
bromosuccinimide	[no description available]	medium	1	0	dicarboximide; organobromine compound; pyrrolidinone	reagent
8-azidoadenosine 5'-triphosphate	[no description available]	medium	1	0
adenosine phosphosulfate	[no description available]	medium	1	0	acyl monophosphate; acyl sulfate; adenosine 5'-phosphate	Escherichia coli metabolite; mouse metabolite
uridine diphosphate glucuronic acid	[no description available]	medium	1	0	UDP-D-glucuronic acid	Escherichia coli metabolite; human metabolite; mouse metabolite
acetylene	[no description available]	medium	1	0	alkyne; gas molecular entity; terminal acetylenic compound
mesoxalic acid	[no description available]	medium	1	0	oxo dicarboxylic acid
allantoin	[no description available]	medium	1	0	imidazolidine-2,4-dione; ureas	Escherichia coli metabolite; human metabolite; Saccharomyces cerevisiae metabolite; vulnerary
dodecyloctaethyleneglycol monoether	[no description available]	medium	1	0	hydroxypolyether
quin2	[no description available]	medium	1	0
firefly luciferin	[no description available]	medium	1	0	1,3-thiazolemonocarboxylic acid; benzothiazoles; imidothioate	luciferin
hyaluronoglucosaminidase	[no description available]	medium	2	0
3,7,12-trihydroxycoprostanic acid	[no description available]	medium	1	0	12alpha-hydroxy steroid; 3alpha-hydroxy steroid; 7alpha-hydroxy steroid; cholestanoic acid; hydroxy monocarboxylic acid	human metabolite
concanavalin a	[no description available]	medium	2	0
s-(2-chloro-1,1,2-trifluoroethyl)cysteine	[no description available]	medium	1	0
chlordan	[no description available]	medium	4	0	cyclodiene organochlorine insecticide	GABA-gated chloride channel antagonist; persistent organic pollutant
nitrilotriacetic acid	[no description available]	medium	1	0	NTA; tricarboxylic acid	carcinogenic agent; nephrotoxic agent
mucidin	[no description available]	medium	1	0	enoate ester; enol ether	antifungal agent; fungal metabolite
alkenes	[no description available]	medium	1	0
sincalide	[no description available]	medium	1	0	oligopeptide
mercaptoethanol	[no description available]	medium	3	0	alkanethiol; primary alcohol	geroprotector
dithiobis(succinimidylpropionate)	[no description available]	medium	1	0
isocitric acid	[no description available]	medium	1	0	secondary alcohol; tricarboxylic acid	fundamental metabolite
triethyltin sulfate	[no description available]	medium	1	0
diacetylfluorescein	[no description available]	medium	1	0
n-(6-aminohexyl)-1-naphthalenesulfonamide	[no description available]	medium	1	0	naphthalenes; sulfonic acid derivative
picric acid	[no description available]	medium	1	0	C-nitro compound	antiseptic drug; explosive; fixative
n,n,n',n'-tetramethylethylenediamine	[no description available]	medium	1	0	ethylenediamine derivative	catalyst; chelator
kynurenine	[no description available]	medium	6	0	aromatic ketone; non-proteinogenic alpha-amino acid; substituted aniline	human metabolite
bromine	[no description available]	medium	1	0	diatomic bromine
bromide	[no description available]	medium	1	0	halide anion; monoatomic bromine
sarcosine	[no description available]	medium	1	0	N-alkylglycine zwitterion; N-alkylglycine; N-methyl-amino acid; N-methylglycines	Escherichia coli metabolite; glycine receptor agonist; glycine transporter 1 inhibitor; human metabolite; mouse metabolite
caseins	[no description available]	medium	1	0
glutaral	[no description available]	medium	1	0	dialdehyde	cross-linking reagent; disinfectant; fixative
iodine	[no description available]	medium	1	0	halide anion; monoatomic iodine	human metabolite
boranes	[no description available]	medium	1	0	boranes; mononuclear parent hydride
pyrogallol	[no description available]	medium	1	0	benzenetriol; phenolic donor	plant metabolite
secobarbital	[no description available]	medium	4	0	barbiturates	anaesthesia adjuvant; GABA modulator; sedative
muramidase	[no description available]	medium	2	0
meperidine	[no description available]	medium	3	0	ethyl ester; piperidinecarboxylate ester; tertiary amino compound	antispasmodic drug; kappa-opioid receptor agonist; mu-opioid receptor agonist; opioid analgesic
fluorine	[no description available]	medium	13	0	diatomic fluorine; gas molecular entity	NMR chemical shift reference compound
sodium hydroxide	[no description available]	medium	1	0	alkali metal hydroxide
hydrochloric acid	[no description available]	medium	1	0	chlorine molecular entity; gas molecular entity; hydrogen halide; mononuclear parent hydride	mouse metabolite
dithiazanine	[no description available]	medium	1	0	benzothiazoles; benzothiazolium ion	anthelminthic drug; fluorochrome
tungsten	[no description available]	medium	1	0	chromium group element atom	micronutrient
xylitol	[no description available]	medium	1	0
gadolinium	[no description available]	medium	1	0	f-block element atom; lanthanoid atom
deoxycholic acid	[no description available]	medium	1	0	bile acid; C24-steroid; dihydroxy-5beta-cholanic acid	human blood serum metabolite
metaperiodate	[no description available]	medium	1	0	iodine oxoacid
toxoflavin	[no description available]	medium	1	0	carbonyl compound; pyrimidotriazine	antibacterial agent; antineoplastic agent; apoptosis inducer; bacterial metabolite; toxin; virulence factor; Wnt signalling inhibitor
1-butanol	[no description available]	medium	1	0	alkyl alcohol; primary alcohol; short-chain primary fatty alcohol	human metabolite; mouse metabolite; protic solvent
copper gluconate	[no description available]	medium	1	0	organic molecular entity
valerates	[no description available]	medium	1	0	short-chain fatty acid anion; straight-chain saturated fatty acid anion	plant metabolite
squalene	[no description available]	medium	1	0	triterpene	human metabolite; mouse metabolite; plant metabolite; Saccharomyces cerevisiae metabolite
mechlorethamine	[no description available]	medium	1	0	nitrogen mustard; organochlorine compound	alkylating agent
praseodymium	[no description available]	medium	1	0	f-block element atom; lanthanoid atom
chlortetracycline	[no description available]	medium	1	0
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
cellulose	[no description available]	medium	1	0	glycoside
tannins	[no description available]	medium	1	0
phenylglyoxal	[no description available]	medium	2	0	phenylacetaldehydes
trolamine salicylate	[no description available]	medium	1	0
iodinated glycerol	[no description available]	medium	2	0	dioxolane
isomethyleugenol	[no description available]	medium	5	0	isomethyleugenol
ants	[no description available]	medium	2	0
fomesafen	[no description available]	medium	2	0	aromatic ether; C-nitro compound; monochlorobenzenes; N-sulfonylcarboxamide; organofluorine compound; phenols	agrochemical; EC 1.3.3.4 (protoporphyrinogen oxidase) inhibitor; herbicide
egg white	[no description available]	medium	1	0
tribulus	[no description available]	medium	1	0
hypericum	[no description available]	medium	2	0	penicillanic acids
glyphosate	[no description available]	medium	2	0	glycine derivative; phosphonic acid	agrochemical; EC 2.5.1.19 (3-phosphoshikimate 1-carboxyvinyltransferase) inhibitor; herbicide
eye	[no description available]	medium	2	0
nsc 4347	[no description available]	medium	1	0
1-((3,5-dichloro)-2,6-dihydroxy-4-methoxyphenyl)-1-hexanone	[no description available]	medium	1	0	dichlorobenzene; differentiation-inducing factor; monomethoxybenzene; resorcinols	eukaryotic metabolite; signalling molecule
fusarium	[no description available]	medium	1	0
megestrol acetate	[no description available]	low	0	0	bridged compound; organic heterotetracyclic compound; secondary alcohol; sesquiterpene lactone; spiro compound; tertiary alcohol; tetrol	GABA antagonist; neurotoxin; phytogenic insecticide; plant metabolite
erysodine	[no description available]	low	0	0	aromatic ether; diether; Erythrina alkaloid; organic heterotetracyclic compound; phenols	antiparasitic agent; nicotinic antagonist; phytogenic insecticide
canaline	[no description available]	low	0	0	amino acid zwitterion; non-proteinogenic L-alpha-amino acid	antimetabolite; antineoplastic agent; phytogenic insecticide; plant metabolite
4-chloro-n-((4-(1,1-dimethylethyl)phenyl)methyl)-3-ethyl-1-methyl-1h-pyrazole-5-carboxamide	[no description available]	low	0	0	pyrazole acaricide; pyrazole insecticide	mitochondrial NADH:ubiquinone reductase inhibitor
tolfenpyrad	[no description available]	low	0	0	aromatic amide; aromatic ether; organochlorine compound; pyrazole insecticide	agrochemical; antifungal agent; EC 1.3.5.1 [succinate dehydrogenase (quinone)] inhibitor; mitochondrial NADH:ubiquinone reductase inhibitor
alpha-isopropylmalate	[no description available]	low	0	0	2-hydroxy carboxylic acid; 3-hydroxy carboxylic acid; dicarboxylic acid	metabolite
3-hydroxybenzyl alcohol	[no description available]	low	0	0	hydroxybenzyl alcohol; phenols	metabolite
n-carbamoyl-beta-alanine	[no description available]	low	0	0	beta-alanine derivative	metabolite; mouse metabolite
acetoin	[no description available]	low	0	0	methyl ketone; secondary alpha-hydroxy ketone	metabolite
benzyl alcohol	[no description available]	low	0	0	benzyl alcohols	antioxidant; fragrance; metabolite; solvent
4-hydroxymandelic acid	[no description available]	low	0	0	2-hydroxy carboxylic acid; phenols	metabolite
aminoethylphosphonic acid	[no description available]	low	0	0	phosphonic acids; primary amino compound; zwitterion	human metabolite; metabolite; mouse metabolite
n(1)-acetylspermidine	[no description available]	low	0	0	acetylspermidine	Escherichia coli metabolite; metabolite
dihydrouracil	[no description available]	low	0	0	pyrimidone	Escherichia coli metabolite; human metabolite; metabolite; mouse metabolite
dihydroxyacetone	[no description available]	low	0	0	ketotriose; primary alpha-hydroxy ketone	antifungal agent; Escherichia coli metabolite; human metabolite; metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite
dimethylamine	[no description available]	low	0	0	methylamines; secondary aliphatic amine	metabolite
glycolic acid	[no description available]	low	0	0	2-hydroxy monocarboxylic acid; primary alcohol	keratolytic drug; metabolite
hydantoin-5-propionic acid	[no description available]	low	0	0	imidazolidine-2,4-dione; monocarboxylic acid	metabolite; mouse metabolite
orotic acid	[no description available]	low	0	0	pyrimidinemonocarboxylic acid	Escherichia coli metabolite; metabolite; mouse metabolite
1-propanol	[no description available]	low	0	0	propan-1-ols; short-chain primary fatty alcohol	metabolite; protic solvent
trimethyloxamine	[no description available]	low	0	0	tertiary amine oxide	Escherichia coli metabolite; metabolite; osmolyte
n-acetylphenylalanine	[no description available]	low	0	0	N-acetyl-amino acid; phenylalanine derivative	antidepressant; metabolite
n-acetyltryptophan	[no description available]	low	0	0	N-acetyl-amino acid; tryptophan derivative	metabolite
arecoline	[no description available]	low	0	0	enoate ester; methyl ester; pyridine alkaloid; tetrahydropyridine	metabolite; muscarinic agonist
dibutyl phthalate	[no description available]	low	0	0	diester; phthalate ester	EC 3.2.1.20 (alpha-glucosidase) inhibitor; environmental contaminant; metabolite; plasticiser; teratogenic agent
hydroxymethyltolbutamide	[no description available]	low	0	0	benzyl alcohols; sulfonamide; ureas	metabolite
methyl salicylate	[no description available]	low	0	0	benzoate ester; methyl ester; salicylates	flavouring agent; insect attractant; metabolite
phenmetrazine	[no description available]	low	0	0	morpholines	metabolite; sympathomimetic agent
safrole	[no description available]	low	0	0	benzodioxoles	flavouring agent; insecticide; metabolite; plant metabolite
2,2'-thiodiethanol	[no description available]	low	0	0	aliphatic sulfide; diol	antineoplastic agent; antioxidant; metabolite; solvent
allyl isothiocyanate	[no description available]	low	0	0	alkenyl isothiocyanate; isothiocyanate	antimicrobial agent; antineoplastic agent; apoptosis inducer; lachrymator; metabolite
n-methyltryptamine	[no description available]	low	0	0	tryptamine alkaloid; tryptamines	metabolite
4-deoxypyridoxine	[no description available]	low	0	0	hydroxymethylpyridine; methylpyridines; monohydroxypyridine	metabolite
phenacyl bromide	[no description available]	low	0	0	acetophenones; alpha-bromoketone	metabolite
trichloroacetic acid	[no description available]	low	0	0	monocarboxylic acid; organochlorine compound	carcinogenic agent; metabolite; mouse metabolite
n-methylacetamide	[no description available]	low	0	0	acetamides; monocarboxylic acid amide	metabolite
bis(4-hydroxyphenyl)sulfone	[no description available]	low	0	0	bisphenol; sulfone	endocrine disruptor; metabolite
7-amino-4-hydroxy-2-naphthalenesulfonic acid	[no description available]	low	0	0	aminonaphthalenesulfonic acid; naphthols	metabolite
methyl benzoate	[no description available]	low	0	0	benzoate ester; methyl ester	insect attractant; metabolite
2-dichlorobenzene	[no description available]	low	0	0	dichlorobenzene	hepatotoxic agent; metabolite
sulfosalicylic acid	[no description available]	low	0	0	arenesulfonic acid; benzoic acids; phenols	metabolite
ethyl lactate	[no description available]	low	0	0	ethyl ester; lactate ester; secondary alcohol	metabolite
furaldehyde	[no description available]	low	0	0	aldehyde; furans	Maillard reaction product; metabolite
thiophene-2-carboxaldehyde	[no description available]	low	0	0	aldehyde; thiophenes	metabolite
alpha-resorcylic acid	[no description available]	low	0	0	dihydroxybenzoic acid; resorcinols	metabolite
methylenebis(chloroaniline)	[no description available]	low	0	0	chloroaniline	metabolite
2-phenylethyl acetate	[no description available]	low	0	0	acetate ester	metabolite; Saccharomyces cerevisiae metabolite
dibenzyl ether	[no description available]	low	0	0	benzyl ether	metabolite
ethyl propionate	[no description available]	low	0	0	propanoate ester	metabolite
citronellal	[no description available]	low	0	0	aldehyde; monoterpenoid	antifungal agent; metabolite
ethyl oenanthate	[no description available]	low	0	0	fatty acid ethyl ester	metabolite
ethyl caprylate	[no description available]	low	0	0	fatty acid ethyl ester; octanoate ester	metabolite
ethyl laurate	[no description available]	low	0	0	fatty acid ethyl ester	metabolite
acetic anhydride	[no description available]	low	0	0	acyclic carboxylic anhydride	metabolite; reagent
ethyl isovalerate	[no description available]	low	0	0	fatty acid ethyl ester; olefinic compound	metabolite
n-butyl n-butyrate	[no description available]	low	0	0	butyrate ester	metabolite
ethyl decanoate	[no description available]	low	0	0	decanoate ester; fatty acid ethyl ester	metabolite
methyl octanoate	[no description available]	low	0	0	fatty acid methyl ester; octanoate ester	metabolite
2-octanone	[no description available]	low	0	0	methyl ketone	metabolite
hexylamine	[no description available]	low	0	0	primary aliphatic amine	metabolite
lauric acid methyl ester	[no description available]	low	0	0	dodecanoate ester; fatty acid methyl ester	metabolite
octylamine	[no description available]	low	0	0	primary aliphatic amine	metabolite
n-decyl alcohol	[no description available]	low	0	0	decanol; primary alcohol	metabolite; pheromone; protic solvent
methyl palmitate	[no description available]	low	0	0	fatty acid methyl ester	metabolite
maltol	[no description available]	low	0	0	4-pyranones	metabolite
chloranil	[no description available]	low	0	0	1,4-benzoquinones; organochlorine compound	EC 2.7.1.33 (pantothenate kinase) inhibitor; metabolite
dibenzoylmethane	[no description available]	low	0	0	aromatic ketone; beta-diketone	antimutagen; antineoplastic agent; metabolite
methyl anthranilate	[no description available]	low	0	0	benzoate ester	flavouring agent; metabolite
benzyl acetate	[no description available]	low	0	0	acetate ester; benzyl ester	metabolite
ethyl acetate	[no description available]	low	0	0	acetate ester; ethyl ester; volatile organic compound	EC 3.4.19.3 (pyroglutamyl-peptidase I) inhibitor; metabolite; polar aprotic solvent; Saccharomyces cerevisiae metabolite
dibenzyl disulfide	[no description available]	low	0	0	organic aromatic compound; organic disulfide	metabolite
mequinol	[no description available]	low	0	0	methoxybenzenes; phenols	metabolite
gamma-resorcylic acid	[no description available]	low	0	0	dihydroxybenzoic acid	metabolite
kynuramine	[no description available]	low	0	0	kynurenamines; primary amino compound	metabolite
5-methylpyrazole-3-carboxylic acid	[no description available]	low	0	0	monocarboxylic acid; pyrazoles	metabolite
4-trifluoromethylaniline	[no description available]	low	0	0	(trifluoromethyl)benzenes; substituted aniline	metabolite
methylguanidine	[no description available]	low	0	0	guanidines	EC 1.14.13.39 (nitric oxide synthase) inhibitor; metabolite; uremic toxin
liriodenine	[no description available]	medium	0	0	alkaloid antibiotic; cyclic ketone; organic heteropentacyclic compound; oxacycle; oxoaporphine alkaloid	antifungal agent; antimicrobial agent; antineoplastic agent; EC 3.1.1.7 (acetylcholinesterase) inhibitor; EC 3.2.1.20 (alpha-glucosidase) inhibitor; metabolite
Dillapiole	[no description available]	low	0	0	benzodioxoles	metabolite
coumaran	[no description available]	low	0	0	1-benzofurans	metabolite
1,3-propanediol	[no description available]	low	0	0	propane-1,3-diols	metabolite; protic solvent
tridecanedioic acid	[no description available]	low	0	0	alpha,omega-dicarboxylic acid	metabolite
physcione	[no description available]	low	0	0	dihydroxyanthraquinone	anti-inflammatory agent; antibacterial agent; antifungal agent; antineoplastic agent; apoptosis inducer; hepatoprotective agent; metabolite
apiole	[no description available]	low	0	0	benzodioxoles	metabolite
cetyl palmitate	[no description available]	low	0	0	hexadecanoate ester	metabolite
n-amyl butyrate	[no description available]	low	0	0	butyrate ester	metabolite
3-aminobutyric acid	[no description available]	low	0	0	amino acid zwitterion; beta-amino acid; monocarboxylic acid	metabolite
methyl lactate	[no description available]	low	0	0	lactate ester; methyl ester	metabolite
2,2-dimethylbutyric acid	[no description available]	low	0	0	dimethylbutyric acid	metabolite
2-chloroacrylic acid	[no description available]	low	0	0	alpha,beta-unsaturated monocarboxylic acid; chlorocarboxylic acid	metabolite
galactitol	[no description available]	low	0	0	hexitol	Escherichia coli metabolite; human metabolite; metabolite; mouse metabolite
1-methyluracil	[no description available]	low	0	0	nucleobase analogue; pyrimidone	metabolite
2-pyrrolidone	[no description available]	low	0	0	pyrrolidin-2-ones	metabolite; polar solvent
n-ethylacetamide	[no description available]	low	0	0	acetamides	metabolite
6-methyluracil	[no description available]	low	0	0	pyrimidone	metabolite
3-methylglutaric acid	[no description available]	low	0	0	alpha,omega-dicarboxylic acid	metabolite
amyl acetate	[no description available]	low	0	0	acetate ester	metabolite
dibenzothiophene 5-oxide	[no description available]	low	0	0	dibenzothiophenes	metabolite
2-acetamidoethanethiol	[no description available]	low	0	0	acetamides	metabolite
2-hydroxyquinoxaline	[no description available]	low	0	0	hydroxyquinoxaline	metabolite
3,4-dihydroxyacetophenone	[no description available]	low	0	0	acetophenones; catechols; dihydroxyacetophenone	metabolite
methyl hippurate	[no description available]	low	0	0	glycine derivative; methyl ester	metabolite
isobarbaloin	[no description available]	low	0	0	anthracenes; C-glycosyl compound; cyclic ketone; phenols	laxative; metabolite
methyl tert-butyl ether	[no description available]	low	0	0	ether	fuel additive; metabolite; non-polar solvent
4-octylphenol	[no description available]	low	0	0	phenols	metabolite; surfactant; xenoestrogen
2-methoxy-1,4-naphthoquinone	[no description available]	low	0	0	1,4-naphthoquinones; enol ether	antimicrobial agent; metabolite; plant metabolite
aviprin	[no description available]	low	0	0	furanocoumarin	metabolite
hydroxyphenytoin	[no description available]	low	0	0	imidazolidine-2,4-dione; phenols	metabolite
squaric acid	[no description available]	low	0	0	alicyclic ketone; carbon oxoacid	metabolite
methyl methanethiosulfonate	[no description available]	low	0	0	sulfonic acid derivative; thiosulfonate ester	metabolite
arabinofuranosyluracil	[no description available]	low	0	0	N-glycosyl compound	metabolite
6-aminonicotinic acid	[no description available]	low	0	0	aminonicotinic acid; aminopyridine; aromatic amine	metabolite
2,3-hexanedione	[no description available]	low	0	0	alpha-diketone	metabolite
tabersonine	[no description available]	medium	0	0	alkaloid ester; methyl ester; monoterpenoid indole alkaloid; organic heteropentacyclic compound	antineoplastic agent; metabolite
3,3-dimethylglutarate	[no description available]	low	0	0	alpha,omega-dicarboxylic acid	metabolite
raspberry ketone	[no description available]	low	0	0	methyl ketone; phenols	androgen antagonist; cosmetic; flavouring agent; fragrance; hepatoprotective agent; metabolite
laurolitsine	[no description available]	low	0	0	aporphine alkaloid; aromatic ether; phenols	HIV-1 integrase inhibitor; metabolite
helenalin	[no description available]	low	0	0	cyclic ketone; gamma-lactone; organic heterotricyclic compound; secondary alcohol; sesquiterpene lactone	anti-inflammatory agent; antineoplastic agent; metabolite; plant metabolite
diethyl malate	[no description available]	low	0	0	malate ester	metabolite
glucoheptonate	[no description available]	low	0	0	carbohydrate acid; monocarboxylic acid	metabolite
deslanoside	[no description available]	low	0	0	12beta-hydroxy steroid; 14beta-hydroxy steroid; cardenolide glycoside; tetrasaccharide derivative	anti-arrhythmia drug; cardiotonic drug; EC 3.6.3.9 (Na(+)/K(+)-transporting ATPase) inhibitor; metabolite
streptozocin	[no description available]	low	0	0	N-acylglucosamine; N-nitrosoureas	antimicrobial agent; antineoplastic agent; DNA synthesis inhibitor; metabolite
pedalitin	[no description available]	low	0	0	monomethoxyflavone; tetrahydroxyflavone	EC 1.17.3.2 (xanthine oxidase) inhibitor; metabolite
ethyl nonanoate	[no description available]	low	0	0	fatty acid ethyl ester	metabolite
ethyl hexanoate	[no description available]	low	0	0	fatty acid ethyl ester; hexanoate ester	metabolite
butyl acetate	[no description available]	low	0	0	acetate ester	metabolite
1,4-dioxane	[no description available]	low	0	0	dioxane; volatile organic compound	carcinogenic agent; metabolite; NMR chemical shift reference compound; non-polar solvent
isoamyl acetate	[no description available]	low	0	0	acetate ester	metabolite; Saccharomyces cerevisiae metabolite
ribostamycin	[no description available]	low	0	0	amino cyclitol glycoside; aminoglycoside antibiotic	antibacterial drug; antimicrobial agent; metabolite
tramadol	[no description available]	low	0	0	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
6-pentylpyrone	[no description available]	low	0	0	2-pyranones	metabolite
4-methylhistamine	[no description available]	low	0	0	aralkylamino compound; imidazoles	histamine agonist; metabolite
perfosfamide	[no description available]	low	0	0	nitrogen mustard; organochlorine compound; peroxol; phosphorodiamide	alkylating agent; antineoplastic agent; drug allergen; immunosuppressive agent; metabolite
3-methyl-2-butenal	[no description available]	low	0	0	enal	metabolite
ethyl 3-hydroxybutyrate	[no description available]	low	0	0	fatty acid ethyl ester	metabolite
4,5-dimethyl-3-hydroxy-2(5h)-furanone	[no description available]	low	0	0	butenolide	metabolite
3-aminoisobutyric acid	[no description available]	low	0	0	amino acid zwitterion; beta-amino acid	metabolite
platanic acid	[no description available]	low	0	0	hydroxy monocarboxylic acid; methyl ketone; pentacyclic triterpenoid	anti-HIV agent; metabolite
2'-deoxyuridylic acid	[no description available]	low	0	0	deoxyuridine phosphate; pyrimidine 2'-deoxyribonucleoside 5'-monophosphate	Escherichia coli metabolite; metabolite; mouse metabolite
gallocatechol	[no description available]	low	0	0	gallocatechin	antioxidant; metabolite; radical scavenger
1-methylinosine	[no description available]	low	0	0	inosines	metabolite
dihydrobetulinic acid	[no description available]	low	0	0	hydroxy monocarboxylic acid; pentacyclic triterpenoid	anti-HIV agent; antileishmanial agent; EC 5.99.1.2 (DNA topoisomerase) inhibitor; EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor; metabolite
3'-cmp	[no description available]	low	0	0	cytidine 3'-phosphate; pyrimidine ribonucleoside 3'-monophosphate	Escherichia coli metabolite; metabolite; mouse metabolite
xanthoxyletin	[no description available]	low	0	0	coumarins	metabolite
orsellinic acid	[no description available]	low	0	0	dihydroxybenzoic acid; resorcinols	fungal metabolite; marine metabolite; metabolite
isoimperatorin	[no description available]	low	0	0	psoralens	EC 3.1.1.7 (acetylcholinesterase) inhibitor; metabolite
seselin	[no description available]	low	0	0	coumarins	metabolite
perillene	[no description available]	low	0	0	furans; monoterpenoid	fragrance; metabolite; semiochemical
glycine methyl ester	[no description available]	low	0	0	glycinyl ester	metabolite
hexadecanamide	[no description available]	low	0	0	primary fatty amide	metabolite
benzocyclobutene	[no description available]	low	0	0	carbobicyclic compound	metabolite
9-methyladenine	[no description available]	low	0	0	methyladenine	metabolite
n'-methyl-2-pyridone-5-carboxamide	[no description available]	low	0	0	methylpyridines; pyridinecarboxamide; pyridone	metabolite; mouse metabolite
1,3-dimethyluracil	[no description available]	low	0	0	pyrimidone	metabolite
3-methoxysalicylic acid	[no description available]	low	0	0	methoxysalicylic acid	metabolite
1,3-dimethyluric acid	[no description available]	low	0	0	oxopurine	metabolite
leucyltyrosine	[no description available]	low	0	0	dipeptide	metabolite
3-methylxanthine	[no description available]	low	0	0	3-methylxanthine	metabolite
leucyl-glycyl-glycine	[no description available]	low	0	0	tripeptide	metabolite
acetylleucine	[no description available]	low	0	0	L-leucine derivative; N-acetyl-L-amino acid	metabolite
n-benzoylalanine, (dl-ala)-isomer	[no description available]	low	0	0	alanine derivative; N-acyl-amino acid	metabolite
dipropylacetamide	[no description available]	low	0	0	fatty amide	geroprotector; metabolite; teratogenic agent
7-methyladenine	[no description available]	low	0	0	methyladenine	metabolite
acetylisoniazid	[no description available]	low	0	0	carbohydrazide	metabolite
illimaquinone	[no description available]	low	0	0	monohydroxy-1,4-benzoquinones; prenylquinone	metabolite
coptisine	[no description available]	low	0	0	alkaloid	metabolite
narciclasine	[no description available]	low	0	0	phenanthridines	metabolite
lividomycin	[no description available]	low	0	0	lividomycins	metabolite
dmp 323	[no description available]	low	0	0	diazepanone; ureas	anti-HIV agent; metabolite
eupolauridine	[no description available]	low	0	0	naphthyridine derivative	metabolite
zaluzanin C	[no description available]	low	0	0	gamma-lactone; guaiane sesquiterpenoid; organic heterotricyclic compound; secondary alcohol; sesquiterpene lactone	EC 1.14.13.39 (nitric oxide synthase) inhibitor; metabolite
2-aminonicotinic acid	[no description available]	low	0	0	aminonicotinic acid; aminopyridine	metabolite
(-)-catechin	[no description available]	low	0	0	catechin	metabolite
Tormentic acid	[no description available]	low	0	0	triterpenoid	metabolite
pinobanksin	[no description available]	low	0	0	secondary alpha-hydroxy ketone; trihydroxyflavanone	antimutagen; antioxidant; metabolite
sigmoidin a	[no description available]	low	0	0	4'-hydroxyflavanones; tetrahydroxyflavanone	anti-inflammatory agent; anti-obesity agent; antibacterial agent; metabolite; radical scavenger
xanthosine 5'-triphosphate	[no description available]	low	0	0	purine ribonucleoside 5'-monophosphate; xanthosine 5'-phosphate	Escherichia coli metabolite; metabolite; mouse metabolite
monotropein	[no description available]	low	0	0	beta-D-glucoside; cyclopentapyran; iridoid monoterpenoid; monocarboxylic acid; monosaccharide derivative	anti-inflammatory agent; metabolite
glycyl-histidyl-lysine	[no description available]	low	0	0	tripeptide	chelator; hepatoprotective agent; metabolite; vulnerary
arjunolic acid	[no description available]	low	0	0	hydroxy monocarboxylic acid; pentacyclic triterpenoid	antibacterial agent; antifungal agent; antioxidant; metabolite
monoethyl phthalate	[no description available]	low	0	0	ethyl ester; phthalic acid monoester	metabolite
methylimidazoleacetic acid	[no description available]	low	0	0	imidazoles; monocarboxylic acid	GABA agonist; metabolite
2-(2-aminoethyl)pyridine	[no description available]	low	0	0	aminoalkylpyridine; primary amine	histamine agonist; metabolite
xanthurenic acid 8-methyl ether	[no description available]	low	0	0	aromatic ether; monohydroxyquinoline; quinolinemonocarboxylic acid	carcinogenic agent; metabolite; mouse metabolite
methyl orsellinate	[no description available]	low	0	0	hydroxybenzoic acid	metabolite
2,2-di(4-methacryloxyphenyl)propane	[no description available]	low	0	0	bisphenol; enoate ester	metabolite
sofosbuvir	[no description available]	low	0	0	aminopyrimidine; aromatic carboxylic acid; nucleobase analogue; pyrimidone	metabolite
3-methyluracil	[no description available]	low	0	0	nucleobase analogue; pyrimidone	metabolite
1-methylcytosine	[no description available]	low	0	0	aminopyrimidine; methylcytosine; pyrimidone	metabolite
leucyl-alanine	[no description available]	low	0	0	dipeptide	metabolite
leucyl-leucyl-leucine	[no description available]	low	0	0	tripeptide	metabolite
3,7-dimethyluric acid	[no description available]	low	0	0	oxopurine	metabolite; mouse metabolite
alanylproline	[no description available]	low	0	0	dipeptide zwitterion; dipeptide	metabolite
d-biotin-d-sulfoxide	[no description available]	low	0	0	biotins; sulfoxide	metabolite
biotin sulfone	[no description available]	low	0	0	biotins; sulfone	metabolite
asperuloside	[no description available]	low	0	0	acetate ester; beta-D-glucoside; gamma-lactone; iridoid monoterpenoid; monosaccharide derivative	metabolite
primin	[no description available]	low	0	0	1,4-benzoquinones	allergen; antifeedant; antimicrobial agent; hapten; metabolite
2-(hydroxymethyl)anthraquinone	[no description available]	low	0	0	anthraquinone	metabolite
tyrosylleucine	[no description available]	low	0	0	dipeptide	metabolite
o-methylserine	[no description available]	low	0	0	L-serine derivative; non-proteinogenic L-alpha-amino acid	metabolite
3,4-dihydroxyphenylglycol	[no description available]	low	0	0	catechols; tetrol	metabolite; mouse metabolite
2-methylhistamine	[no description available]	low	0	0	aralkylamino compound; imidazoles	histamine agonist; metabolite
2-methylhippuric acid	[no description available]	low	0	0	N-acylglycine	metabolite
taraxerol	[no description available]	low	0	0	pentacyclic triterpenoid; secondary alcohol	metabolite
alpha-peltatin	[no description available]	low	0	0	furonaphthodioxole; gamma-lactone; lignan; organic heterotetracyclic compound; phenols	antineoplastic agent; metabolite
3-acetyllupeol	[no description available]	low	0	0	organic molecular entity	metabolite
lupenone	[no description available]	low	0	0	triterpenoid	metabolite
glycyltryptophan	[no description available]	low	0	0	dipeptide	metabolite
monocerin	[no description available]	low	0	0	hydroxybenzoic acid	metabolite
propionyl-coenzyme a	[no description available]	low	0	0	acyl-CoA	Escherichia coli metabolite; metabolite; mouse metabolite
alpha-hydroxyisocaproic acid	[no description available]	low	0	0	2-hydroxy fatty acid; branched-chain fatty acid	metabolite
totarol	[no description available]	low	0	0	diterpenoid	metabolite
taraxerone	[no description available]	low	0	0	scalarane sesterterpenoid	metabolite
uvaol	[no description available]	low	0	0	triterpenoid	metabolite
glycyltyrosine	[no description available]	low	0	0	dipeptide	metabolite
glycylleucine	[no description available]	low	0	0	dipeptide zwitterion; dipeptide	metabolite
alanyltyrosine	[no description available]	low	0	0	dipeptide	metabolite
glycyl-l-phenylalanine	[no description available]	low	0	0	dipeptide zwitterion; dipeptide	human metabolite; metabolite
digoxigenin-mono(digitoxoside)	[no description available]	low	0	0	cardenolide glycoside; digitoxoside; monosaccharide derivative; steroid saponin	metabolite
thiazolidine-4-carboxylic acid, (r)-isomer	[no description available]	low	0	0	thiazolidinemonocarboxylic acid; thioproline	geroprotector; metabolite
5,6-dihydrothymine	[no description available]	low	0	0	pyrimidone	human metabolite; metabolite; mouse metabolite
dehydroabietic acid	[no description available]	low	0	0	abietane diterpenoid; carbotricyclic compound; monocarboxylic acid	allergen; metabolite
palmitone	[no description available]	low	0	0	dialkyl ketone	anticonvulsant; metabolite
1-methylthymine	[no description available]	low	0	0	methylthymine	metabolite
imidazoleacetic acid	[no description available]	low	0	0	imidazoles; monocarboxylic acid	metabolite; mouse metabolite
1-methylguanosine	[no description available]	low	0	0	methylguanosine	metabolite
alanylphenylalanine	[no description available]	low	0	0	dipeptide	metabolite
murrayanine	[no description available]	low	0	0	carbazoles	metabolite
girinimbine	[no description available]	low	0	0	carbazoles	metabolite
tryptophylglycine	[no description available]	low	0	0	dipeptide	metabolite
canthin-6-one	[no description available]	low	0	0	enone; indole alkaloid; organic heterotetracyclic compound	antimycobacterial drug; metabolite
glycylaspartic acid	[no description available]	low	0	0	dipeptide	metabolite
4-methylhippuric acid	[no description available]	low	0	0	N-acylglycine	metabolite
delta(9)-tetrahydrocannabinolic acid	[no description available]	low	0	0	benzochromene; diterpenoid; hydroxy monocarboxylic acid; phytocannabinoid; polyketide	anti-inflammatory agent; biomarker; metabolite; neuroprotective agent
3-methylhippuric acid	[no description available]	low	0	0	N-acylglycine	metabolite
n-glycylglutamic acid	[no description available]	low	0	0	dipeptide	metabolite
n-caproylglycine	[no description available]	low	0	0	N-acylglycine	metabolite
diosgenin	[no description available]	low	0	0	3beta-sterol; hexacyclic triterpenoid; sapogenin; spiroketal	antineoplastic agent; antiviral agent; apoptosis inducer; metabolite
s-2-aminoethyl cysteine	[no description available]	low	0	0	L-cysteine thioether; non-proteinogenic L-alpha-amino acid	EC 5.4.3.2 (lysine 2,3-aminomutase) inhibitor; metabolite; protein synthesis inhibitor
4-hydroxycyclophosphamide	[no description available]	low	0	0	nitrogen mustard; organochlorine compound; phosphorodiamide	alkylating agent; metabolite
alpha-glutamyltryptophan	[no description available]	low	0	0	dipeptide	angiogenesis modulating agent; antineoplastic agent; immunomodulator; metabolite
malabaricone c	[no description available]	low	0	0	butanone	metabolite
loliolide	[no description available]	low	0	0	benzofurans	metabolite
tuberostemonine	[no description available]	low	0	0	alkaloid	metabolite
pyrrole-3-carboxylic acid	[no description available]	low	0	0	pyrrolecarboxylic acid	metabolite; Penicillium metabolite
histidylglycine	[no description available]	low	0	0	dipeptide	metabolite
histidinoalanine	[no description available]	low	0	0	dipeptide zwitterion; dipeptide	metabolite
quillaic acid	[no description available]	low	0	0	aldehyde; hydroxy monocarboxylic acid; pentacyclic triterpenoid	anti-inflammatory agent; metabolite
ecgonine methyl ester	[no description available]	low	0	0	methyl ester; tertiary amino compound; tropane alkaloid	analgesic; central nervous system depressant; metabolite; mouse metabolite; opioid analgesic; peripheral nervous system drug
n-acetylcytidine	[no description available]	low	0	0	acetamides; cytidines; secondary carboxamide	metabolite
4-hydroxydebrisoquin	[no description available]	low	0	0	carboxamidine; isoquinolines; secondary alcohol	metabolite
hc toxin	[no description available]	low	0	0	homodetic cyclic peptide; tetrapeptide	antineoplastic agent; EC 3.5.1.98 (histone deacetylase) inhibitor; metabolite; phytotoxin
epicatechin gallate	[no description available]	low	0	0	catechin; gallate ester; polyphenol	EC 3.2.1.1 (alpha-amylase) inhibitor; EC 3.2.1.20 (alpha-glucosidase) inhibitor; metabolite
versiconal hemiacetal acetate	[no description available]	low	0	0	acetate ester; anthrafuran; lactol; palmitoyl amino acid; polyphenol	metabolite
selenodiglutathione	[no description available]	low	0	0	glutathione derivative; thioselenide	Escherichia coli metabolite; metabolite
coprine	[no description available]	low	0	0	cyclopropanes; dicarboxylic acid monoamide; L-glutamine derivative; non-proteinogenic L-alpha-amino acid	EC 1.2.1.3 [aldehyde dehydrogenase (NAD(+))] inhibitor; metabolite; mycotoxin
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
exp3174	[no description available]	low	0	0	biphenylyltetrazole; imidazoles; organochlorine compound	metabolite
ribonolactone	[no description available]	low	0	0	butan-4-olide; ribonolactone	metabolite
sulfamethoxazole hydroxylamine	[no description available]	low	0	0	isoxazoles; sulfonamide	allergen; metabolite
androsterone glucuronide	[no description available]	low	0	0	beta-D-glucosiduronic acid; steroid glucosiduronic acid	human metabolite; metabolite; mouse metabolite
sapintoxin d	[no description available]	low	0	0	phorbol ester; tertiary alpha-hydroxy ketone	fluorescent probe; metabolite
amarogentin	[no description available]	low	0	0	monosaccharide derivative; secoiridoid glycoside	EC 5.99.1.2 (DNA topoisomerase) inhibitor; metabolite
taraxasterol	[no description available]	low	0	0	pentacyclic triterpenoid; secondary alcohol	anti-inflammatory agent; metabolite
flavoglaucin	[no description available]	low	0	0	hydroquinones	metabolite
1-(6-hydroxy-2-isopropenyl-1-benzofuran-5-yl)-1-ethanone	[no description available]	low	0	0	benzofurans	metabolite
dioscin	[no description available]	low	0	0	hexacyclic triterpenoid; spiroketal; spirostanyl glycoside; trisaccharide derivative	anti-inflammatory agent; antifungal agent; antineoplastic agent; antiviral agent; apoptosis inducer; EC 1.14.18.1 (tyrosinase) inhibitor; hepatoprotective agent; metabolite
maculosin	[no description available]	low	0	0	dipeptide; homodetic cyclic peptide; phenols; pyrrolopyrazine	metabolite
n(4)-methylcytosine	[no description available]	low	0	0	aminopyrimidine; methylcytosine; pyrimidone	metabolite
n-acetylputrescine	[no description available]	low	0	0	N-monoacetylalkane-alpha,omega-diamine; N-substituted putrescine	metabolite; mouse metabolite
4'-demethylpodophyllotoxin	[no description available]	low	0	0	furonaphthodioxole; organic heterotetracyclic compound; phenols	metabolite
lysicamine	[no description available]	low	0	0	alkaloid antibiotic; oxoaporphine alkaloid	metabolite
procyanidin b2	[no description available]	low	0	0	biflavonoid; hydroxyflavan; polyphenol; proanthocyanidin	antioxidant; metabolite
aromadedrin	[no description available]	low	0	0	4'-hydroxyflavanones; dihydroflavonols; secondary alpha-hydroxy ketone; tetrahydroxyflavanone	metabolite
3-methylthymine	[no description available]	low	0	0	methylthymine; pyrimidone	metabolite
tyrosyl-glycyl-glycine	[no description available]	low	0	0	tripeptide zwitterion; tripeptide	metabolite
cyclic adp-ribose	[no description available]	low	0	0	cyclic purine nucleotide; nucleotide-sugar	metabolite; ryanodine receptor agonist
glycylglutamine	[no description available]	low	0	0	dipeptide zwitterion; dipeptide	metabolite; protective agent
alanylglutamine	[no description available]	low	0	0	dipeptide zwitterion; dipeptide	metabolite
naadp	[no description available]	low	0	0	nicotinic acid dinucleotide	calcium channel agonist; metabolite; signalling molecule
procyanidin b5	[no description available]	low	0	0	biflavonoid; hydroxyflavan; polyphenol; proanthocyanidin	metabolite
proanthocyanidin a2	[no description available]	low	0	0	hydroxyflavan; proanthocyanidin	angiogenesis modulating agent; anti-HIV agent; antioxidant; metabolite
dihydrosanguinarine	[no description available]	low	0	0	benzophenanthridine alkaloid	antifungal agent; metabolite
tetrahydrocurcumin	[no description available]	low	0	0	beta-diketone; diarylheptanoid; polyphenol	metabolite
eriodictyol 7-glucuronide	[no description available]	low	0	0	3'-hydroxyflavonoid; beta-D-glucosiduronic acid	EC 1.1.1.21 (aldehyde reductase) inhibitor; metabolite
beta-lipotropin, gln(9)-	[no description available]	low	0	0	catechols; crown compound; macrocyclic lactone	bacterial metabolite; metabolite
4-nitrososulfamethoxazole	[no description available]	low	0	0	isoxazoles; nitroso compound; sulfonamide	allergen; metabolite
protosappanin a	[no description available]	low	0	0	catechols	metabolite
3,3'-neotrehalosadiamine	[no description available]	low	0	0	amino disaccharide; glycosyl glycoside derivative	antimicrobial agent; metabolite
salvinorin a	[no description available]	low	0	0	organic heterotricyclic compound; organooxygen compound	metabolite; oneirogen
cyanidin	[no description available]	low	0	0	5-hydroxyanthocyanidin	antioxidant; metabolite; neuroprotective agent
yakuchinone-a	[no description available]	low	0	0	ketone; monomethoxybenzene; phenols	antineoplastic agent; cyclooxygenase 1 inhibitor; cyclooxygenase 2 inhibitor; EC 1.14.13.39 (nitric oxide synthase) inhibitor; metabolite
marsupsin	[no description available]	low	0	0	1-benzofurans; aromatic ether; polyphenol	antilipemic drug; hypoglycemic agent; metabolite
6,6'-bieckol	[no description available]	low	0	0	aromatic ether; oxacycle; phlorotannin	anti-HIV-1 agent; metabolite; radical scavenger
3-methylcytosine	[no description available]	low	0	0	aminopyrimidine; methylcytosine; pyrimidone	metabolite
eckol	[no description available]	low	0	0	phlorotannin	antioxidant; metabolite
procyanidin b3	[no description available]	low	0	0	biflavonoid; hydroxyflavan; polyphenol; proanthocyanidin	anti-inflammatory agent; antioxidant; EC 2.3.1.48 (histone acetyltransferase) inhibitor; metabolite
aclacinomycin	[no description available]	low	0	0	aminoglycoside; anthracycline; deoxy hexoside; methyl ester; monosaccharide derivative; phenols; polyketide; tertiary alcohol; tetracenequinones; zwitterion	antimicrobial agent; antineoplastic agent; metabolite
phenylalanylarginine	[no description available]	low	0	0	dipeptide	metabolite
prolylarginine	[no description available]	low	0	0	dipeptide	metabolite
5-methoxytryptophan	[no description available]	low	0	0	L-alpha-amino acid zwitterion; L-tryptophan derivative	metabolite
phenylalanylglutamate	[no description available]	low	0	0	dipeptide	metabolite
aspartylglycine	[no description available]	low	0	0	dipeptide	metabolite
aspartylglutamate	[no description available]	low	0	0	dipeptide	metabolite
5-hydroxypipecolic acid	[no description available]	low	0	0	piperidinemonocarboxylic acid	metabolite
prolyl-tyrosine	[no description available]	low	0	0	dipeptide	metabolite
histidylproline	[no description available]	low	0	0	dipeptide zwitterion; dipeptide	metabolite
phenylalanyl-glycyl-glycine	[no description available]	low	0	0	tripeptide	metabolite
leucylarginine	[no description available]	low	0	0	dipeptide	metabolite
pendolmycin	[no description available]	low	0	0	indoles	metabolite
atractylenolide iii	[no description available]	low	0	0	naphthofuran	metabolite
malvidin	[no description available]	low	0	0	5-hydroxyanthocyanidin	biological pigment; metabolite
5-hydroxytryptoline	[no description available]	low	0	0	beta-carbolines	metabolite
perlolyrine	[no description available]	low	0	0	organic molecular entity	metabolite
endocrocin	[no description available]	low	0	0	monocarboxylic acid; phenols; trihydroxyanthraquinone	metabolite
sulochrin	[no description available]	low	0	0	benzophenones; carboxylic ester; phenols	metabolite
i-677	[no description available]	low	0	0	L-serine derivative; non-proteinogenic L-alpha-amino acid	antimetabolite; antimicrobial agent; antineoplastic agent; metabolite
isohomovanillic acid	[no description available]	low	0	0	aromatic ether; phenols; phenylacetic acids	metabolite
4-amino-2-methoxypyrimidine	[no description available]	low	0	0	aminopyrimidine; aromatic ether; methylcytosine	metabolite
asimilobine	[no description available]	low	0	0	aporphine alkaloid	metabolite
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
leukodopachrome	[no description available]	low	0	0	hydroxy monocarboxylic acid; indoles	metabolite
ampelopsin	[no description available]	low	0	0	dihydromyricetin; secondary alpha-hydroxy ketone	antineoplastic agent; antioxidant; metabolite
pinusolide	[no description available]	low	0	0	diterpene lactone	metabolite
2,4,5-trihydroxypentanoic acid gamma-lactone	[no description available]	low	0	0	ribonolactone	metabolite
hydroxysitosterol	[no description available]	low	0	0	3beta-hydroxy-Delta(5)-steroid; 7alpha-hydroxy steroid	metabolite; plant metabolite
jolkinolide a	[no description available]	low	0	0	diterpene lactone	metabolite
jolkinolide b	[no description available]	low	0	0	diterpene lactone	metabolite
1-o-hexadecyl-2-lyso-glycero-3-phosphorylcholine	[no description available]	low	0	0	1-alkyl-sn-glycero-3-phosphocholine; lysophosphatidylcholine O-16:0	metabolite
platycodin d	[no description available]	low	0	0	triterpenoid saponin	metabolite
frenolicin b	[no description available]	low	0	0	benzoisochromanequinone; p-quinones	metabolite
4-oxopentanal	[no description available]	low	0	0	ketoaldehyde	metabolite
my 12-62c	[no description available]	low	0	0	monohydroxyquinoline; quinolone	antibacterial agent; iron chelator; metabolite; signalling molecule
3,4-dihydroxyphenylpyruvic acid	[no description available]	low	0	0	2-oxo monocarboxylic acid	metabolite
proximadiol	[no description available]	low	0	0	eudesmane sesquiterpenoid	metabolite
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
phenylacetyl-coenzyme a	[no description available]	low	0	0	acyl-CoA	Escherichia coli metabolite; metabolite; mouse metabolite
taxusin	[no description available]	low	0	0	acetate ester; carbotricyclic compound; taxane diterpenoid	metabolite
confertin	[no description available]	low	0	0	cyclic ketone; gamma-lactone; organic heterotricyclic compound; pseudoguaianolide	anti-inflammatory agent; metabolite; plant metabolite
beta-methylcrotonylglycine	[no description available]	low	0	0	N-acylglycine	metabolite
tracheloside	[no description available]	low	0	0	glycoside; lignan	metabolite
maytenonic acid	[no description available]	low	0	0	triterpenoid	metabolite
procyanidin C1	[no description available]	low	0	0	hydroxyflavan; polyphenol; proanthocyanidin	anti-inflammatory agent; antioxidant; EC 1.17.3.2 (xanthine oxidase) inhibitor; EC 3.2.1.20 (alpha-glucosidase) inhibitor; lipoxygenase inhibitor; metabolite
3-methyleneindolenine	[no description available]	low	0	0	indoles	metabolite
isopulegol	[no description available]	low	0	0	p-menthane monoterpenoid	metabolite
kadsurin	[no description available]	low	0	0	tannin	metabolite
lysylproline	[no description available]	low	0	0	dipeptide	metabolite
5-o-methylembelin	[no description available]	low	0	0	enol ether; monohydroxy-1,4-benzoquinones	antileishmanial agent; antineoplastic agent; hepatitis C protease inhibitor; metabolite
dihydrodaidzein	[no description available]	low	0	0	hydroxyisoflavanone	metabolite
4'-o-methylepigallocatechin	[no description available]	low	0	0	catechin	metabolite
corynoline	[no description available]	low	0	0	benzophenanthridine alkaloid; cyclic acetal; isoquinolines; organic heterohexacyclic compound; secondary alcohol	antineoplastic agent; EC 3.1.1.7 (acetylcholinesterase) inhibitor; hepatoprotective agent; metabolite
dichamanetin	[no description available]	low	0	0	diarylheptanoid	metabolite
brevianamide f	[no description available]	low	0	0	dipeptide; indoles; pyrrolopyrazine	metabolite
ergolide	[no description available]	low	0	0	acetate ester; cyclic ketone; gamma-lactone; organic heterotricyclic compound; sesquiterpene lactone	anti-inflammatory agent; antineoplastic agent; metabolite; NF-kappaB inhibitor; plant metabolite
4-sulfocatechol	[no description available]	low	0	0	dihydroxybenzenesulfonic acid	metabolite
histidylleucine	[no description available]	low	0	0	dipeptide zwitterion; dipeptide	metabolite
7-methoxyheptaphylline	[no description available]	low	0	0	carbazoles	metabolite
phenylalanylserine	[no description available]	low	0	0	dipeptide	metabolite
phellamurin	[no description available]	low	0	0	4'-hydroxyflavanones; beta-D-glucoside; dihydroflavonols; flavanone glycoside; monosaccharide derivative; trihydroxyflavanone	metabolite
prolylglutamic acid	[no description available]	low	0	0	dipeptide	metabolite
nantenine	[no description available]	low	0	0	oxoaporphine alkaloid	metabolite
butyrylcarnitine	[no description available]	low	0	0	O-butanoylcarnitine; saturated fatty acyl-L-carnitine	metabolite
2-hydroxyestradiol	[no description available]	low	0	0	17beta-hydroxy steroid; 2-hydroxy steroid	carcinogenic agent; human metabolite; metabolite; mouse metabolite; prodrug
aromaticin	[no description available]	low	0	0	cyclic ketone; gamma-lactone; organic heterotricyclic compound; sesquiterpene lactone	anti-inflammatory agent; metabolite; plant metabolite
n-methylcorydaldine	[no description available]	low	0	0	quinolone	metabolite
2-amino-3,3-dimethylbutanoic acid	[no description available]	low	0	0	non-proteinogenic alpha-amino acid	metabolite
pentabromopseudilin	[no description available]	low	0	0	pyrroles	metabolite
rocaglamide	[no description available]	low	0	0	monocarboxylic acid amide; monomethoxybenzene; organic heterotricyclic compound	antileishmanial agent; antineoplastic agent; metabolite
dentatin	[no description available]	low	0	0	coumarins	metabolite
enmein	[no description available]	low	0	0	delta-lactone	metabolite
5-aminonicotinic acid	[no description available]	low	0	0	aminonicotinic acid; aminopyridine; aromatic amine	metabolite
pomolic acid	[no description available]	low	0	0	triterpenoid	metabolite
aglafoline	[no description available]	low	0	0	methyl ester; organic heterotricyclic compound	metabolite; platelet aggregation inhibitor
isomaltose	[no description available]	low	0	0	glycosylglucose	human metabolite; metabolite; mouse metabolite
vestitone	[no description available]	low	0	0	(3R)-2'-hydroxyisoflavanones; hydroxyisoflavanone; methoxyisoflavanone	antibacterial agent; metabolite
pantetheine	[no description available]	low	0	0	pantetheines; thiol	human metabolite; metabolite; mouse metabolite
salicin	[no description available]	low	0	0	aromatic primary alcohol; aryl beta-D-glucoside; benzyl alcohols	antipyretic; EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor; metabolite; non-narcotic analgesic; non-steroidal anti-inflammatory drug; prodrug
n-formylmethionine	[no description available]	low	0	0	L-methionine derivative; N-formyl amino acid; proteinogenic amino acid	metabolite
fucose	[no description available]	low	0	0	deoxygalactose	metabolite
saponarin	[no description available]	low	0	0	C-glycosyl compound; dihydroxyflavone; glycosyloxyflavone; monosaccharide derivative	metabolite
hippeastrine	[no description available]	medium	0	0	delta-lactone; indole alkaloid; organic heteropentacyclic compound; secondary alcohol	antineoplastic agent; metabolite
cyanidin 3-o-beta-d-glucopyranoside	[no description available]	low	0	0	anthocyanin cation; beta-D-glucoside; monosaccharide derivative	metabolite
silychristin	[no description available]	low	0	0	1-benzofurans; aromatic ether; flavonolignan; polyphenol; secondary alpha-hydroxy ketone	lipoxygenase inhibitor; metabolite; prostaglandin antagonist; radical scavenger
peonidin	[no description available]	low	0	0	5-hydroxyanthocyanidin	antineoplastic agent; antioxidant; apoptosis inducer; metabolite
convallatoxin	[no description available]	low	0	0	14beta-hydroxy steroid; 19-oxo steroid; 5beta-hydroxy steroid; alpha-L-rhamnoside; steroid aldehyde; steroid lactone	metabolite; vasodilator agent
furostanol i	[no description available]	low	0	0	beta-D-glucoside; cyclic hemiketal; pentacyclic triterpenoid; steroid saponin; trisaccharide derivative	metabolite
decursinol	[no description available]	low	0	0	cyclic ether; delta-lactone; organic heterotricyclic compound; secondary alcohol	analgesic; antineoplastic agent; EC 3.1.1.7 (acetylcholinesterase) inhibitor; metabolite
abyssinone v	[no description available]	low	0	0	4'-hydroxyflavanones; phenols; trihydroxyflavanone	metabolite
davidigenin	[no description available]	low	0	0	dihydrochalcones; polyphenol	anti-allergic agent; anti-asthmatic agent; antioxidant; metabolite
farrerol	[no description available]	low	0	0	organic molecular entity	metabolite
cleomiscosin a	[no description available]	low	0	0	aromatic ether; delta-lactone; organic heterotricyclic compound; phenols; primary alcohol	anti-inflammatory agent; metabolite
vicenin ii	[no description available]	low	0	0	C-glycosyl compound; trihydroxyflavone	metabolite
eugeniin	[no description available]	low	0	0	beta-D-glucoside; ellagitannin; gallate ester; lactone	anti-HSV-1 agent; antifungal agent; antineoplastic agent; EC 3.2.1.20 (alpha-glucosidase) inhibitor; metabolite
knipholone	[no description available]	low	0	0	aromatic ketone; dihydroxyanthraquinone; methoxybenzenes; methyl ketone; polyphenol; resorcinols	antineoplastic agent; antioxidant; antiplasmodial drug; leukotriene antagonist; metabolite
alpha bitter acid	[no description available]	low	0	0	aromatic ketone; cyclic ketone; diketone; tertiary alpha-hydroxy ketone; triol	antibacterial drug; antioxidant; cyclooxygenase 2 inhibitor; metabolite
acanthoside b	[no description available]	low	0	0	beta-D-glucoside	metabolite
chlorpromazine n-oxide	[no description available]	low	0	0	organochlorine compound; phenothiazines; tertiary amine oxide	metabolite
3-hydroxyaspartic acid, (threo-l)-isomer	[no description available]	low	0	0	3-hydroxy-L-aspartic acid	metabolite
cyclo(l-phe-l-pro)	[no description available]	low	0	0	organic molecular entity	metabolite
pyochelin	[no description available]	low	0	0	monocarboxylic acid; phenols; thiazolidines	metabolite; siderophore
surfactin c	[no description available]	low	0	0	cyclodepsipeptide; lipopeptide antibiotic; macrocyclic lactone	antibacterial agent; antifungal agent; antineoplastic agent; antiviral agent; metabolite; platelet aggregation inhibitor; surfactant
petunidin-3-glucoside	[no description available]	low	0	0	anthocyanin cation; aromatic ether; beta-D-glucoside	antioxidant; metabolite
malvidin-3-glucoside	[no description available]	low	0	0	anthocyanin cation; aromatic ether; beta-D-glucoside	metabolite
dioncophylline a	[no description available]	low	0	0	biaryl; isoquinoline alkaloid; isoquinolines; methoxynaphthalene; methylnaphthalenes; naphthalenes	antifungal agent; antimalarial; metabolite; molluscicide
dioncophylline c	[no description available]	low	0	0	aromatic ether; biaryl; isoquinoline alkaloid; isoquinolines; methoxynaphthalene; methylnaphthalenes; naphthols	antimalarial; antiplasmodial drug; metabolite
latrunculin a	[no description available]	low	0	0	cyclic hemiketal; macrolide; oxabicycloalkane; thiazolidinone	actin polymerisation inhibitor; metabolite; toxin
aglucovancomycin b	[no description available]	low	0	0	cyclic ether; heterodetic cyclic peptide; peptide antibiotic; peptide zwitterion; polyphenol	metabolite
(S)-ATPA	[no description available]	low	0	0	isoxazoles; non-proteinogenic L-alpha-amino acid	metabolite
isoleucylvaline	[no description available]	low	0	0	dipeptide	metabolite
afimoxifene	[no description available]	low	0	0	phenols; tertiary amino compound	antineoplastic agent; estrogen receptor antagonist; metabolite
3-hydroxyhippuric acid	[no description available]	low	0	0	N-acylglycine; phenols	metabolite
conidendrin	[no description available]	low	0	0	lignan	metabolite
bevirimat	[no description available]	low	0	0	dicarboxylic acid monoester; monocarboxylic acid; pentacyclic triterpenoid	HIV-1 maturation inhibitor; metabolite
16beta,17-dihydroxy-ent-kaurane-19-oic acid	[no description available]	low	0	0	bridged compound; diol; ent-kaurane diterpenoid; hydroxy monocarboxylic acid; primary alcohol; tertiary alcohol	anti-HIV agent; metabolite
glycyrin	[no description available]	low	0	0	aromatic ether; coumarins; hydroxyisoflavans	antibacterial agent; metabolite; plant metabolite
reynosin	[no description available]	low	0	0	organic heterotricyclic compound; sesquiterpene lactone	metabolite
moronic acid	[no description available]	low	0	0	pentacyclic triterpenoid	anti-HIV agent; anti-HSV-1 agent; metabolite
maltitol	[no description available]	low	0	0	alpha-D-glucoside; glycosyl alditol	laxative; metabolite; sweetening agent
Phe-Tyr	[no description available]	low	0	0	dipeptide	metabolite
2-acetyl-1-pyrroline	[no description available]	low	0	0	acylimine; methyl ketone; pyrroline	flavouring agent; Maillard reaction product; metabolite
methyl indole-3-carboxylate	[no description available]	low	0	0	indoles; methyl ester	metabolite
camalexin	[no description available]	low	0	0	1,3-thiazoles; indole phytoalexin	metabolite
komaroviquinone	[no description available]	low	0	0	bridged compound; lactol; p-quinones; tetracyclic diterpenoid	metabolite; trypanocidal drug
2-hydroxycinnamic acid	[no description available]	low	0	0	2-coumaric acid; phenols	antioxidant; metabolite
16-epivincamine	[no description available]	low	0	0	alkaloid	metabolite
diethyl fumarate	[no description available]	low	0	0	diester	metabolite
1-acetyl-beta-carboline	[no description available]	low	0	0	harmala alkaloid	metabolite
propolin c	[no description available]	low	0	0	4'-hydroxyflavanones; tetrahydroxyflavanone	metabolite; radical scavenger
xanthohumol	[no description available]	low	0	0	aromatic ether; chalcones; polyphenol	anti-HIV-1 agent; antineoplastic agent; antiviral agent; apoptosis inducer; EC 2.3.1.20 (diacylglycerol O-acyltransferase) inhibitor; metabolite
imidazol-1-ylacetic acid	[no description available]	low	0	0	imidazolyl carboxylic acid	metabolite
captax	[no description available]	low	0	0	aryl thiol; benzothiazoles	carcinogenic agent; metabolite
n-acetyltryptophan	[no description available]	low	0	0	L-tryptophan derivative; N-acetyl-L-amino acid	metabolite
cinnamoylglycine	[no description available]	low	0	0	N-acylglycine	metabolite
n-benzoylalanine	[no description available]	low	0	0	N-acyl-L-alanine; N-benzoylalanine	metabolite
isoferulic acid	[no description available]	low	0	0	ferulic acids	antioxidant; biomarker; metabolite
oxypeucadanin, (r)-(+)-isomer	[no description available]	low	0	0	furanocoumarin	metabolite
allylthiourea	[no description available]	low	0	0	thioureas	metabolite
n-glycylalanine	[no description available]	low	0	0	dipeptide	metabolite
caryophyllene oxide	[no description available]	low	0	0	epoxide	metabolite
fumonisin b1	[no description available]	low	0	0	diester; fumonisin; primary amino compound; triol	carcinogenic agent; metabolite
olivetolic acid	[no description available]	low	0	0	benzoic acids; monocarboxylic acid; polyketide; resorcinols	metabolite
Ganodermanontriol	[no description available]	low	0	0	triterpenoid	metabolite
dieckol	[no description available]	low	0	0	aromatic ether; oxacycle; phlorotannin	anticoagulant; EC 3.2.1.20 (alpha-glucosidase) inhibitor; hepatoprotective agent; metabolite; radical scavenger
glycylproline	[no description available]	low	0	0	dipeptide zwitterion; dipeptide	metabolite
tamoxifen n-oxide	[no description available]	low	0	0	aromatic ether; tertiary amine oxide	anti-estrogen; metabolite
7-deacetylgedunin	[no description available]	low	0	0	cyclic terpene ketone; delta-lactone; enone; epoxide; furans; limonoid; pentacyclic triterpenoid	anti-inflammatory agent; antimalarial; metabolite; plant metabolite
galactose-6-phosphate	[no description available]	low	0	0	D-galactose 6-phosphate	metabolite
nicotine n-glucuronide	[no description available]	low	0	0	iminium betaine; N-glycosylpyridine	metabolite
isorhyncophylline	[no description available]	low	0	0	indolizines	metabolite
cysteinylproline	[no description available]	low	0	0	dipeptide	metabolite
glycyllysine	[no description available]	low	0	0	dipeptide	metabolite
methionyltryptophan	[no description available]	low	0	0	dipeptide	metabolite
ascorbigen	[no description available]	low	0	0	indolyl carbohydrate	metabolite
pimeloyl-coenzyme a	[no description available]	low	0	0	omega-carboxyacyl-CoA	metabolite
1-salicylate glucuronide	[no description available]	low	0	0	benzoic acids; beta-D-glucosiduronic acid	metabolite
isoschaftoside	[no description available]	low	0	0	C-glycosyl compound; trihydroxyflavone	metabolite
croomine	[no description available]	low	0	0	alkaloid	metabolite
3-hydroxyflavanone	[no description available]	low	0	0	3'-hydroxyflavanones; monohydroxyflavanone	metabolite
ungeremine	[no description available]	low	0	0	organic molecular entity	metabolite
seryl-proline	[no description available]	low	0	0	dipeptide	metabolite
4-hydroxy-5-methyl-3(2h)-furanone	[no description available]	low	0	0	cyclic ketone; enol; furans	metabolite
annomontine	[no description available]	low	0	0	alkaloid; aminopyrimidine; beta-carbolines	antiparasitic agent; metabolite
8-hydroxymanzamine a	[no description available]	low	0	0	alkaloid; beta-carbolines; isoquinolines	anti-HSV-2 agent; EC 2.7.11.26 (tau-protein kinase) inhibitor; metabolite
ginkgetin	[no description available]	low	0	0	biflavonoid; hydroxyflavone; methoxyflavone; ring assembly	anti-HSV-1 agent; antineoplastic agent; cyclooxygenase 2 inhibitor; EC 1.13.11.34 (arachidonate 5-lipoxygenase) inhibitor; metabolite
calceolarioside b	[no description available]	low	0	0	hydroxycinnamic acid	metabolite
eupatilin	[no description available]	low	0	0	dihydroxyflavone; trimethoxyflavone	anti-inflammatory agent; anti-ulcer drug; antineoplastic agent; EC 1.13.11.34 (arachidonate 5-lipoxygenase) inhibitor; metabolite
quercetin 3-o-glucuronide	[no description available]	low	0	0	beta-D-glucosiduronic acid; quercetin O-glycoside	antidepressant; antioxidant; metabolite
australifungin	[no description available]	low	0	0	carbobicyclic compound; enol; enone; secondary alcohol	antifungal agent; EC 2.3.1.24 (sphingosine N-acyltransferase) inhibitor; HIV-1 integrase inhibitor; metabolite
catechin gallate	[no description available]	low	0	0	flavans; gallate ester; polyphenol	metabolite
3,7-dimethoxy-5,3',4'-trihydroxyflavone	[no description available]	low	0	0	dimethoxyflavone; trihydroxyflavone	EC 1.3.1.22 [3-oxo-5alpha-steroid 4-dehydrogenase (NADP(+))] inhibitor; metabolite
vomifoliol	[no description available]	low	0	0	(6S)-vomifoliol	metabolite; phytotoxin
feruloyltyramine	[no description available]	low	0	0	tyramines	metabolite
luteolin-7-glucuronide	[no description available]	low	0	0	glycosyloxyflavone; luteolin O-glucuronoside; monosaccharide derivative; trihydroxyflavone	metabolite
chrysoeriol	[no description available]	low	0	0	monomethoxyflavone; trihydroxyflavone	antineoplastic agent; antioxidant; metabolite
quercetin 3-o-methyl ether	[no description available]	low	0	0	monomethoxyflavone; tetrahydroxyflavone	antimicrobial agent; metabolite
dexmedetomidine	[no description available]	low	0	0	trihydroxyflavone; trimethoxyflavone	antineoplastic agent; metabolite
6-ketoprostaglandin e1	[no description available]	low	0	0	prostaglandins E	metabolite; platelet aggregation inhibitor
lipoxin a4	[no description available]	low	0	0	hydroxy polyunsaturated fatty acid; lipoxin; long-chain fatty acid	human metabolite; metabolite
naringenin chalcone	[no description available]	low	0	0	chalcones; polyphenol	anti-allergic agent; anti-inflammatory agent; metabolite
cornexistin	[no description available]	low	0	0	cyclic dicarboxylic anhydride; organic heterobicyclic compound; secondary alpha-hydroxy ketone	herbicide; metabolite
isobavachalcone	[no description available]	low	0	0	chalcones; polyphenol	antibacterial agent; metabolite; platelet aggregation inhibitor
daphnoretin	[no description available]	low	0	0	aromatic ether; hydroxycoumarin	antineoplastic agent; antiviral agent; metabolite
Rhynchophylline	[no description available]	low	0	0	indolizines	metabolite
mammeisin	[no description available]	low	0	0	neoflavonoid	metabolite
ostruthin	[no description available]	low	0	0	terpene lactone	metabolite
costunolide	[no description available]	low	0	0	germacranolide; heterobicyclic compound	anthelminthic drug; antiinfective agent; antineoplastic agent; antiparasitic agent; antiviral drug; metabolite
caryophyllene	[no description available]	low	0	0	beta-caryophyllene	fragrance; insect attractant; metabolite; non-steroidal anti-inflammatory drug
phaseic acid	[no description available]	low	0	0	alpha,beta-unsaturated monocarboxylic acid; apo carotenoid sesquiterpenoid	metabolite
agathisflavone	[no description available]	low	0	0	biaryl; biflavonoid; hydroxyflavone	antineoplastic agent; antiviral agent; hepatoprotective agent; metabolite
cupressuflavone	[no description available]	low	0	0	biflavonoid; hydroxyflavone; ring assembly	EC 3.4.21.37 (leukocyte elastase) inhibitor; metabolite; radical scavenger
bellidifolin	[no description available]	low	0	0	polyphenol; xanthones	EC 3.1.1.7 (acetylcholinesterase) inhibitor; hypoglycemic agent; metabolite
demethylbellidifolin	[no description available]	low	0	0	tetrol; xanthones	antioxidant; EC 3.1.1.7 (acetylcholinesterase) inhibitor; metabolite; mutagen; radical scavenger
hinokiflavone	[no description available]	low	0	0	aromatic ether; biflavonoid; hydroxyflavone	antineoplastic agent; metabolite; neuroprotective agent
euxanthone	[no description available]	low	0	0	phenols; xanthones	metabolite; plant metabolite
norswertianolin	[no description available]	low	0	0	beta-D-glucoside; xanthones	EC 3.1.1.7 (acetylcholinesterase) inhibitor; metabolite
swerchirin	[no description available]	low	0	0	aromatic ether; phenols; xanthones	hypoglycemic agent; metabolite
isoscutellarein	[no description available]	low	0	0	tetrahydroxyflavone	metabolite
kaempferide	[no description available]	low	0	0	7-hydroxyflavonol; monomethoxyflavone; trihydroxyflavone	antihypertensive agent; metabolite
norwogonin	[no description available]	low	0	0	trihydroxyflavone	antioxidant; metabolite
orientin	[no description available]	low	0	0	3'-hydroxyflavonoid; C-glycosyl compound; tetrahydroxyflavone	antioxidant; metabolite
patuletin	[no description available]	low	0	0	flavonols; monomethoxyflavone; pentahydroxyflavone	analgesic; antioxidant; EC 1.1.1.21 (aldehyde reductase) inhibitor; lipoxygenase inhibitor; metabolite
robustaflavone	[no description available]	low	0	0	biflavonoid; hydroxyflavone; ring assembly	anti-HBV agent; antineoplastic agent; antioxidant; metabolite
scutellarein	[no description available]	low	0	0	tetrahydroxyflavone	metabolite
tricetin	[no description available]	low	0	0	pentahydroxyflavone	antineoplastic agent; metabolite
tricin	[no description available]	low	0	0	3'-methoxyflavones; dimethoxyflavone; trihydroxyflavone	EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor; metabolite
astringin	[no description available]	low	0	0	beta-D-glucoside; monosaccharide derivative; polyphenol; stilbenoid	antineoplastic agent; antioxidant; metabolite
polydatin	[no description available]	low	0	0	beta-D-glucoside; monosaccharide derivative; polyphenol; stilbenoid	anti-arrhythmia drug; antioxidant; geroprotector; hepatoprotective agent; metabolite; nephroprotective agent; potassium channel modulator
epsilon-viniferin	[no description available]	low	0	0	1-benzofurans; polyphenol; stilbenoid	metabolite
irilone	[no description available]	low	0	0	hydroxyisoflavone; organic heterotricyclic compound; oxacycle	antineoplastic agent; immunomodulator; metabolite
licoisoflavone a	[no description available]	low	0	0	7-hydroxyisoflavones	metabolite
prunetin	[no description available]	low	0	0	7-methoxyisoflavones; hydroxyisoflavone	anti-inflammatory agent; EC 1.2.1.3 [aldehyde dehydrogenase (NAD(+))] inhibitor; EC 1.3.1.22 [3-oxo-5alpha-steroid 4-dehydrogenase (NADP(+))] inhibitor; metabolite
syringetin	[no description available]	low	0	0	3',5'-dimethoxyflavone; 3'-methoxyflavones; 7-hydroxyflavonol; dimethoxyflavone; tetrahydroxyflavone	metabolite; platelet aggregation inhibitor
10-deoxymethynolide	[no description available]	low	0	0	macrolide	metabolite
4',7-dihydroxyflavone	[no description available]	low	0	0	dihydroxyflavone	metabolite
veronicastroside	[no description available]	low	0	0	disaccharide derivative; glycosyloxyflavone; neohesperidoside; trihydroxyflavone	antibacterial agent; metabolite
quercimeritrin	[no description available]	low	0	0	beta-D-glucoside; flavonols; monosaccharide derivative; quercetin O-glucoside; tetrahydroxyflavone	antioxidant; metabolite
josamycin	[no description available]	low	0	0	acetate ester; aldehyde; disaccharide derivative; glycoside; macrolide antibiotic; tertiary alcohol; tertiary amino compound	antibacterial drug; metabolite
n,n-dimethylsphingenine	[no description available]	low	0	0	aminodiol; sphingoid; tertiary amino compound	EC 2.7.1.91 (sphingosine kinase) inhibitor; metabolite
4-hydroxyestradiol	[no description available]	low	0	0	4-hydroxy steroid	metabolite
9-hydroxy-10,12-octadecadienoic acid	[no description available]	low	0	0	HODE; octadecadienoic acid	human metabolite; metabolite; mouse metabolite; plant metabolite
9-oxo-10,12-octadecadienoic acid	[no description available]	low	0	0	enone; oxooctadecadienoic acid	metabolite
13-oxo-9,11-octadecadienoic acid	[no description available]	low	0	0	13-oxo-9,11-octadecadienoic acid; oxo fatty acid	metabolite
13,14-dihydro-15-ketoprostaglandin d2	[no description available]	low	0	0	prostaglandins D	metabolite
15-keto-13,14-dihydroprostaglandin f2alpha	[no description available]	low	0	0	ketone; prostaglandins Falpha	metabolite
2,3-dinor-6-ketoprostaglandin f1alpha	[no description available]	low	0	0	4-oxo monocarboxylic acid; prostanoid; secondary alcohol	metabolite
ergosta-7,22-dien-3-ol, (3beta,5alpha,6alpha,22e)-isomer	[no description available]	low	0	0	3beta-sterol	anti-HSV-1 agent; antifungal agent; EC 3.2.1.18 (exo-alpha-sialidase) inhibitor; metabolite
calcifediol	[no description available]	low	0	0	D3 vitamins; diol; hydroxycalciol	bone density conservation agent; human metabolite; metabolite; mouse metabolite; nutraceutical
oleyl alcohol	[no description available]	low	0	0	fatty alcohol 18:1; long-chain primary fatty alcohol	metabolite; nonionic surfactant
fortimicin a	[no description available]	low	0	0	amino cyclitol glycoside; aminoglycoside antibiotic; diol; monocarboxylic acid amide; primary amino compound	antibacterial agent; metabolite
3',4',7-trihydroxyisoflavone	[no description available]	low	0	0	7-hydroxyisoflavones	antineoplastic agent; EC 1.3.1.22 [3-oxo-5alpha-steroid 4-dehydrogenase (NADP(+))] inhibitor; metabolite
6,7,4'-trihydroxyisoflavone	[no description available]	low	0	0	7-hydroxyisoflavones	anti-inflammatory agent; antimutagen; EC 1.14.18.1 (tyrosinase) inhibitor; metabolite; PPARalpha agonist; PPARgamma agonist
15-deoxy-delta(12,14)-prostaglandin j2	[no description available]	low	0	0	prostaglandins J	electrophilic reagent; insulin-sensitizing drug; metabolite
ciguatoxins	[no description available]	low	0	0	ciguatoxin	metabolite
12-hydroxy-5,8,10-heptadecatrienoic acid	[no description available]	low	0	0	hydroxy polyunsaturated fatty acid; long-chain fatty acid; trienoic fatty acid	metabolite
clausine e	[no description available]	low	0	0	carbazoles	metabolite
ethyl caffeate	[no description available]	low	0	0	alkyl caffeate ester; ethyl ester; hydroxycinnamic acid	anti-inflammatory agent; antineoplastic agent; metabolite
heptaphylline	[no description available]	low	0	0	carbazoles	metabolite
pellitorine	[no description available]	low	0	0	fatty amide	metabolite
isorhamnetin-3-o-galactoside	[no description available]	low	0	0	beta-D-galactoside; glycosyloxyflavone; monomethoxyflavone; monosaccharide derivative; trihydroxyflavone	metabolite
kaempferol-3-o-rutinoside	[no description available]	low	0	0	disaccharide derivative; kaempferol O-glucoside; rutinoside; trihydroxyflavone	metabolite; plant metabolite; radical scavenger
7,4'-dihydroxy-3'-methoxyisoflavone	[no description available]	low	0	0	7-hydroxyisoflavones; methoxyisoflavone	antiplasmodial drug; metabolite
sappanchalcone	[no description available]	low	0	0	catechols; chalcones; monomethoxybenzene	anti-allergic agent; anti-inflammatory agent; antioxidant; metabolite
methyl brevifolincarboxylate	[no description available]	low	0	0	cyclic ketone; delta-lactone; organic heterotricyclic compound; phenols	EC 5.99.1.2 (DNA topoisomerase) inhibitor; EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor; metabolite; platelet aggregation inhibitor; radical scavenger; vasodilator agent
3-deoxysappanchalcone	[no description available]	low	0	0	chalcones; monomethoxybenzene; phenols	metabolite
nostocarboline	[no description available]	low	0	0	alkaloid; beta-carbolines; organic cation; organochlorine compound	antimalarial; EC 3.1.1.8 (cholinesterase) inhibitor; metabolite
ergosterol-5,8-peroxide	[no description available]	low	0	0	3beta-sterol; ergostanoid; organic peroxide; phytosterols	antimycobacterial drug; antineoplastic agent; metabolite; trypanocidal drug
3-(4-hydroxy-3-methoxyphenyl)-n-(2-(4-hydroxy-3-methoxyphenyl)ethyl)-2-propenamide	[no description available]	low	0	0	hydroxycinnamic acid	metabolite
macluraxanthone b	[no description available]	low	0	0	phenols; xanthones	anti-HIV agent; antineoplastic agent; metabolite
alternariol	[no description available]	low	0	0	benzochromenone; phenols	EC 3.1.1.8 (cholinesterase) inhibitor; metabolite; mycotoxin
cis-3-hexenyl acetate	[no description available]	low	0	0	acetate ester; olefinic compound	metabolite
pipercallosidine	[no description available]	low	0	0	alkaloid; benzodioxoles; enamide; secondary carboxamide	apoptosis inducer; metabolite; plant metabolite
n-(4-hydroxy-beta-phenethyl)-4-hydroxycinnamide	[no description available]	low	0	0	hydroxycinnamic acid	metabolite
7-hydroxyisoflavone	[no description available]	low	0	0	7-hydroxyisoflavones	EC 1.14.14.14 (aromatase) inhibitor; metabolite
flazin	[no description available]	low	0	0	harmala alkaloid	metabolite
11-hydroxynoracronycine	[no description available]	low	0	0	acridines	metabolite
jaceosidin	[no description available]	low	0	0	dimethoxyflavone; trihydroxyflavone	anti-allergic agent; anti-inflammatory agent; antineoplastic agent; apoptosis inducer; metabolite
5,7,3'-trihydroxy-3,4'-dimethoxyflavone	[no description available]	low	0	0	dimethoxyflavone; trihydroxyflavone	antineoplastic agent; metabolite
salutaridine	[no description available]	low	0	0	morphinane alkaloid	anti-HBV agent; metabolite
artocarpin lectin	[no description available]	low	0	0	monomethoxyflavone; trihydroxyflavone	antineoplastic agent; metabolite
1,7-dihydroxy-4-methoxyxanthone	[no description available]	low	0	0	aromatic ether; phenols; xanthones	metabolite; plant metabolite
bergamottin	[no description available]	low	0	0	furanocoumarin	metabolite
alanyl-alanyl-alanine	[no description available]	low	0	0	tripeptide	metabolite
24-ethyl-4-cholesten-3-one	[no description available]	low	0	0	C29-steroid; steroid	metabolite
myricetin 3-o-glucuronide	[no description available]	low	0	0	monosaccharide derivative; myricetin O-glucuronide; pentahydroxyflavone	metabolite
phenylalanylalanine	[no description available]	low	0	0	dipeptide zwitterion; dipeptide	metabolite
alpha-aspartylalanine	[no description available]	low	0	0	dipeptide	metabolite
arglabin	[no description available]	low	0	0	epoxide; gamma-lactone; organic heterotetracyclic compound; sesquiterpene lactone	antineoplastic agent; metabolite
ap 10	[no description available]	low	0	0	diterpene lactone	metabolite
quercetin 7-rhamnoside	[no description available]	low	0	0	alpha-L-rhamnoside; flavonols; monosaccharide derivative; quercetin O-glycoside; tetrahydroxyflavone	metabolite
albonoursin	[no description available]	low	0	0	2,5-diketopiperazines	metabolite
oroidin	[no description available]	low	0	0	pyrroles; secondary carboxamide	metabolite
apratoxin a	[no description available]	low	0	0	1,3-thiazoles; apratoxin	antineoplastic agent; metabolite
(-)-catechin-3-O-gallate	[no description available]	low	0	0	flavans; gallate ester; polyphenol	metabolite
aspartyllysine	[no description available]	low	0	0	dipeptide	metabolite
arginyllysine	[no description available]	low	0	0	dipeptide	metabolite
hygromycin a	[no description available]	low	0	0	hydroxycinnamic acid	metabolite
latrunculin b	[no description available]	low	0	0	cyclic hemiketal; macrolide; oxabicycloalkane; thiazolidinone	actin polymerisation inhibitor; metabolite; toxin
falcarindiol	[no description available]	low	0	0	organic molecular entity	metabolite
dehydroergosterol	[no description available]	low	0	0	3beta-hydroxy-Delta(5)-steroid; 3beta-sterol; ergostanoid; phytosterols	biomarker; metabolite
n-oleoylglycine	[no description available]	low	0	0	fatty amide; N-acylglycine 18:1	metabolite
rhizoxin	[no description available]	low	0	0	1,3-oxazoles; epoxide; macrolide antibiotic	antimitotic; antineoplastic agent; metabolite
concanamycin a	[no description available]	low	0	0	carbamate ester; concanamycin	antifungal agent; EC 3.6.3.14 (H(+)-transporting two-sector ATPase) inhibitor; metabolite
n(3)-(4-methoxyfumaroyl)-2,3-diaminopropionic acid	[no description available]	low	0	0	enoate ester; methyl ester; monocarboxylic acid amide	metabolite
thunberginol f	[no description available]	low	0	0	catechols; gamma-lactone; isobenzofuranone	metabolite; plant metabolite
pyracrenic acid	[no description available]	low	0	0	triterpenoid	metabolite
eicosa-11,14-dienoic acid, (z,z)-isomer	[no description available]	low	0	0	icosadienoic acid	metabolite
yuanhuadine	[no description available]	low	0	0	diterpenoid	metabolite
tiglylglycine	[no description available]	low	0	0	N-acylglycine	metabolite
rhodiocyanoside a	[no description available]	low	0	0	aliphatic nitrile; beta-D-glucoside; cyanogenic glycoside; monosaccharide derivative	anti-allergic agent; metabolite
(2E,4E)-N-isobutyl-2,4-dodecadienamide	[no description available]	low	0	0	fatty amide	metabolite
mycothiazole	[no description available]	low	0	0	thiazoles	metabolite
13-oxo-9,11-octadecadienoic acid	[no description available]	low	0	0	13-oxo-9,11-octadecadienoic acid	metabolite; mouse metabolite
linderalactone	[no description available]	low	0	0	butenolide	metabolite
pros-methylimidazoleacetic acid	[no description available]	low	0	0	imidazolyl carboxylic acid	metabolite
cellobionic acid	[no description available]	low	0	0	carbohydrate acid; disaccharide	metabolite
pseudopteroxazole	[no description available]	low	0	0	tetralins	metabolite
sophoraflavanone a	[no description available]	low	0	0	(2S)-flavan-4-one; 4'-hydroxyflavanones; trihydroxyflavanone	antibacterial agent; antineoplastic agent; metabolite
panduratin a	[no description available]	low	0	0	diarylheptanoid	metabolite
stigmasterol 3-o-beta-d-glucopyranoside	[no description available]	low	0	0	beta-D-glucoside; monosaccharide derivative; phytosterols; steroid saponin	metabolite
17-hydroxyjolkinolide b	[no description available]	low	0	0	diterpene lactone	metabolite
corosolic acid	[no description available]	low	0	0	triterpenoid	metabolite
cyclo(prolyl-valyl)	[no description available]	low	0	0	piperazinone	metabolite
phenylalanylglycine	[no description available]	low	0	0	dipeptide	metabolite
leucyl-phenylalanine	[no description available]	low	0	0	dipeptide	metabolite
glutamylalanine	[no description available]	low	0	0	dipeptide	metabolite
glutaminyl-glycine	[no description available]	low	0	0	dipeptide	metabolite
methionylglycine	[no description available]	low	0	0	dipeptide	metabolite
valylleucine	[no description available]	low	0	0	dipeptide	metabolite
phenylalanyl-valine	[no description available]	low	0	0	dipeptide	metabolite
cyclo(glycyltryptophyl)	[no description available]	low	0	0	indoles	metabolite
alanylglycine	[no description available]	low	0	0	dipeptide zwitterion; dipeptide	metabolite
valyltyrosine	[no description available]	low	0	0	dipeptide	metabolite
alpha-glutamyltryptophan	[no description available]	low	0	0	dipeptide	metabolite
lysylglutamic acid	[no description available]	low	0	0	dipeptide	metabolite
methionylglutamic acid	[no description available]	low	0	0	dipeptide	metabolite
seryl-histidine	[no description available]	low	0	0	dipeptide	metabolite
arginyl-glutamine	[no description available]	low	0	0	dipeptide	metabolite
phenylalanylproline	[no description available]	low	0	0	dipeptide	metabolite
lysylglycine	[no description available]	low	0	0	dipeptide	metabolite
glycylhistidine	[no description available]	low	0	0	dipeptide zwitterion; dipeptide	metabolite
kopsinine	[no description available]	low	0	0	indole alkaloid	metabolite
cyclo(leucyl-phenylalanyl)	[no description available]	low	0	0	2,5-diketopiperazines	metabolite
prolylisoleucine	[no description available]	low	0	0	dipeptide	metabolite
isoleucyl-tyrosine	[no description available]	low	0	0	dipeptide	metabolite
prolyl-serine	[no description available]	low	0	0	dipeptide	metabolite
grayanotoxin i	[no description available]	low	0	0	acetate ester; pentol; secondary alcohol; tertiary alcohol; tetracyclic diterpenoid	antihypertensive agent; metabolite; neuromuscular agent; phytotoxin
19-norandrosterone	[no description available]	low	0	0	17-oxo steroid	metabolite
s-allylcysteine	[no description available]	low	0	0	L-alpha-amino acid zwitterion; S-hydrocarbyl-L-cysteine	antineoplastic agent; metabolite
oleandrigenin	[no description available]	low	0	0	14beta-hydroxy steroid; 3beta-hydroxy steroid; steroid ester	EC 3.6.3.9 (Na(+)/K(+)-transporting ATPase) inhibitor; metabolite
valyl-prolyl-proline	[no description available]	low	0	0	tripeptide	metabolite
prolylvaline	[no description available]	low	0	0	dipeptide	metabolite
palbinone	[no description available]	low	0	0	16-oxo steroid	metabolite
pseurotin	[no description available]	low	0	0	azaspiro compound; lactam; oxaspiro compound	metabolite
xenovulene a	[no description available]	low	0	0	cyclic ether; enone; organic heterotetracyclic compound; sesquiterpenoid	GABA antagonist; metabolite
fr 148083	[no description available]	low	0	0	aromatic ether; macrolide; phenols; secondary alcohol; secondary alpha-hydroxy ketone	antibacterial agent; antineoplastic agent; metabolite; NF-kappaB inhibitor
LL-Z1640-1	[no description available]	low	0	0	macrolide; resorcinols	metabolite
9-methoxycanthin-6-one	[no description available]	low	0	0	aromatic ether; indole alkaloid; organic heterotetracyclic compound	antineoplastic agent; antiplasmodial drug; metabolite
n-acetylcarnosine	[no description available]	low	0	0	dipeptide	metabolite
cholest-5-en-3-one	[no description available]	low	0	0	3-oxo-Delta(5)-steroid; cholestanoid	metabolite
kaempferol 3-O-beta-L-glucopyranoside	[no description available]	low	0	0	beta-L-glucoside; flavonols; kaempferol O-glucoside; monosaccharide derivative; trihydroxyflavone	metabolite
rubraxanthone	[no description available]	low	0	0	aromatic ether; polyphenol; xanthones	antibacterial agent; antineoplastic agent; metabolite
landomycin a	[no description available]	low	0	0	oligosaccharide	metabolite
ancistroealaine a	[no description available]	low	0	0	aromatic ether; biaryl; isoquinoline alkaloid; isoquinolines; methoxynaphthalene; methylnaphthalenes	antileishmanial agent; antiplasmodial drug; metabolite; trypanocidal drug
cerberin	[no description available]	low	0	0	acetate ester; cardenolide glycoside; monosaccharide derivative	antineoplastic agent; metabolite
actein	[no description available]	low	0	0	triterpenoid	metabolite
araloside a	[no description available]	low	0	0	triterpenoid saponin	metabolite
ageladine a	[no description available]	low	0	0	alkaloid; aromatic amine; imidazopyridine; organobromine compound; pyrroles	angiogenesis inhibitor; antineoplastic agent; matrix metalloproteinase inhibitor; metabolite
corynoxine b	[no description available]	low	0	0	indolizines	metabolite
kaempferol 7-o-glucoside	[no description available]	low	0	0	beta-D-glucoside; flavonols; kaempferol O-glucoside; monosaccharide derivative; trihydroxyflavone	metabolite; plant metabolite; radical scavenger
delphinidin 3-sambubioside	[no description available]	low	0	0	anthocyanidin 3-O-beta-D-sambubioside	apoptosis inducer; metabolite
nodosin	[no description available]	low	0	0	delta-lactone	metabolite
protylonolide	[no description available]	low	0	0	diol; enone; macrolide	metabolite
arisugacin	[no description available]	low	0	0	aromatic ether; delta-lactone; enone; organic heterotetracyclic compound; tertiary alcohol	antimicrobial agent; EC 3.1.1.7 (acetylcholinesterase) inhibitor; metabolite; Penicillium metabolite
nymphaeol c	[no description available]	low	0	0	4'-hydroxyflavanones; tetrahydroxyflavanone	metabolite; radical scavenger
thonningianin a	[no description available]	low	0	0	tannin	metabolite
cephalostatin i	[no description available]	low	0	0	oxo steroid	metabolite
papyriflavonol a	[no description available]	low	0	0	3'-hydroxyflavonoid; flavonols; pentahydroxyflavone	EC 1.14.18.1 (tyrosinase) inhibitor; EC 3.1.1.4 (phospholipase A2) inhibitor; metabolite
lactonamycin	[no description available]	low	0	0	gamma-lactone; organic heterohexacyclic compound; phenols; trideoxyhexose derivative	antibacterial agent; antimicrobial agent; metabolite
myrsinoic acid b	[no description available]	low	0	0	1-benzofurans; monocarboxylic acid	anti-inflammatory agent; EC 4.4.1.11 (methionine gamma-lyase) inhibitor; metabolite
betulone	[no description available]	low	0	0	triterpenoid	metabolite
eckstolonol	[no description available]	medium	0	0	organic heteropentacyclic compound; oxacycle; phlorotannin	metabolite; radical scavenger
manassantin b	[no description available]	low	0	0	benzodioxoles; dimethoxybenzene; lignan; oxolanes; secondary alcohol	antineoplastic agent; metabolite
gitaloxin	[no description available]	low	0	0	cardenolide glycoside	metabolite
paeonilide	[no description available]	low	0	0	benzoate ester	metabolite
dihydroxanthohumol	[no description available]	low	0	0	aromatic ether; dihydrochalcones; polyphenol	EC 1.14.13.39 (nitric oxide synthase) inhibitor; metabolite
corynoxine	[no description available]	low	0	0	indolizines	metabolite
7-phloroeckol	[no description available]	low	0	0	aromatic ether; phlorotannin	antioxidant; EC 3.1.1.3 (triacylglycerol lipase) inhibitor; metabolite
(+)-lyoniresinol-3-alpha-O-beta-D-glucopyranoside	[no description available]	low	0	0	beta-D-glucoside; dimethoxybenzene; lignan; monosaccharide derivative; polyphenol; primary alcohol; tetralins	antibacterial agent; antifungal agent; metabolite
Sphaeropsidin C	[no description available]	low	0	0	tricyclic diterpenoid	metabolite
kelampayoside a	[no description available]	low	0	0	glycoside	metabolite
3,5-dimethoxy-4-hydroxybenzyl alcohol-4-O-beta-D-glucopyranoside	[no description available]	low	0	0	aromatic ether; benzyl alcohols; beta-D-glucoside; monosaccharide derivative; primary alcohol	antineoplastic agent; metabolite
2,3-dihydro-3beta-methoxy withaferin A	[no description available]	low	0	0	27-hydroxy steroid; 4-hydroxy steroid; delta-lactone; epoxy steroid; ergostanoid; primary alcohol; secondary alcohol; withanolide	metabolite; plant metabolite
nigranoic acid	[no description available]	low	0	0	dicarboxylic acid; tetracyclic triterpenoid	antineoplastic agent; HIV-1 reverse transcriptase inhibitor; metabolite
esculeoside a	[no description available]	low	0	0	azaspiro compound; oxaspiro compound; saponin; steroid alkaloid; steroid saponin	antineoplastic agent; metabolite
aerothionin	[no description available]	low	0	0	isoxazoles	metabolite
artemisic acid	[no description available]	low	0	0	carbobicyclic compound; monocarboxylic acid; octahydronaphthalenes; sesquiterpenoid	metabolite
26-deoxyactein	[no description available]	low	0	0	triterpenoid	metabolite
5-formylcytosine	[no description available]	low	0	0	aminopyrimidine; heteroarenecarbaldehyde; nucleobase analogue; pyrimidone	metabolite
migrastatin	[no description available]	low	0	0	ether; macrolide antibiotic; piperidones; secondary alcohol	antineoplastic agent; metabolite
Lyngbic acid	[no description available]	low	0	0	long-chain fatty acid	metabolite
2,3,6,8-tetrahydroxy-1-(3-methylbut-2-enyl)-5-(2-methylbut-3-en-2-yl)-9h-xanthen-9-one	[no description available]	low	0	0	polyphenol; xanthones	anti-inflammatory agent; antineoplastic agent; EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor; metabolite
bielschowskysin	[no description available]	low	0	0	acetate ester; cyclic acetal; diterpenoid; gamma-lactone; organic heterohexacyclic compound	antimalarial; antineoplastic agent; metabolite
procyanidin b1	[no description available]	low	0	0	biflavonoid; hydroxyflavan; polyphenol; proanthocyanidin	anti-inflammatory agent; EC 3.4.21.5 (thrombin) inhibitor; metabolite
cyclo(tyrosyl-tyrosyl)	[no description available]	low	0	0	cyclo(tyrosyl-tyrosyl)	metabolite
spiculoic acid a	[no description available]	low	0	0	carbobicyclic compound; cyclic ketone; oxo monocarboxylic acid; styrenes	antineoplastic agent; metabolite
myrocin a	[no description available]	low	0	0	tertiary alcohol	metabolite
3'-o-methylepicatechin	[no description available]	low	0	0	catechin	metabolite
episilvestrol	[no description available]	low	0	0	dioxanes; ether; methyl ester; organic heterotricyclic compound	antineoplastic agent; metabolite
protopanaxatriol	[no description available]	low	0	0	12beta-hydroxy steroid; 3beta-hydroxy-4,4-dimethylsteroid; 3beta-hydroxy steroid; 6alpha-hydroxy steroid; sapogenin; tetracyclic triterpenoid	metabolite
laurinterol	[no description available]	low	0	0	organobromine compound; phenols; sesquiterpenoid	antibacterial agent; apoptosis inducer; EC 3.6.3.9 (Na(+)/K(+)-transporting ATPase) inhibitor; metabolite
Pseudopterosin G-J aglycone	[no description available]	low	0	0	diterpenoid	metabolite
ceratamine a	[no description available]	low	0	0	alkaloid; aromatic ether; cyclic ketone; organic heterobicyclic compound; organobromine compound; secondary amino compound; tertiary amine	antimitotic; metabolite
liphagal	[no description available]	low	0	0	aldehyde; cyclic ether; meroterpenoid; organic heterotetracyclic compound; polyphenol	EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor; metabolite
pulsatilla saponin d	[no description available]	low	0	0	triterpenoid	metabolite
diversonol	[no description available]	low	0	0	phenols; tertiary alcohol	antibacterial agent; metabolite
neotuberostemonine	[no description available]	low	0	0	alkaloid	metabolite
drymaritin	[no description available]	low	0	0	enol ether; enone; indole alkaloid; organic heterotetracyclic compound	anti-HIV agent; metabolite
lyoniresinol	[no description available]	low	0	0	dimethoxybenzene; lignan; polyphenol; primary alcohol; tetralins	antineoplastic agent; metabolite
silvestrol	[no description available]	low	0	0	dioxanes; ether; methyl ester; organic heterotricyclic compound	antineoplastic agent; metabolite
ginsenoside ro	[no description available]	low	0	0	triterpenoid saponin	metabolite
diosgenin glucoside	[no description available]	low	0	0	hexacyclic triterpenoid; monosaccharide derivative; spiroketal; sterol 3-beta-D-glucoside	metabolite
pyripyropene a	[no description available]	low	0	0	organic heterotetracyclic compound; sesquiterpenoid	acyl-CoA:cholesterol acyltransferase 2 inhibitor; metabolite
3-epioleanolic acid	[no description available]	low	0	0	triterpenoid	metabolite
leucylproline	[no description available]	low	0	0	dipeptide zwitterion; dipeptide	metabolite
R-(-)-actinodaphnine	[no description available]	low	0	0	aporphine alkaloid	metabolite
cytotrienin a	[no description available]	low	0	0	cyclopropanecarboxylate ester; ether; hydroquinones; lactam; macrocycle; secondary alcohol	antibacterial agent; antimicrobial agent; antineoplastic agent; apoptosis inducer; metabolite
methylamphotericin b	[no description available]	low	0	0	macrolide; methyl ester; monosaccharide derivative	antifungal agent; antiinfective agent; metabolite
2'-methoxykurarinone	[no description available]	low	0	0	4'-hydroxyflavanones; dihydroxyflavanone; dimethoxyflavanone	antineoplastic agent; metabolite
verproside	[no description available]	low	0	0	glycoside	metabolite
verminoside	[no description available]	low	0	0	hydroxycinnamic acid	metabolite
minecoside	[no description available]	low	0	0	hydroxycinnamic acid	metabolite
(R)-(+)-6',7'-dihydroxybergamottin	[no description available]	low	0	0	furanocoumarin	metabolite
lapidilectine b	[no description available]	low	0	0	indolyl carboxylic acid	metabolite
batzelladine a	[no description available]	low	0	0	alkaloid; carboxylic ester; guanidines; organic heterotricyclic compound; pyrrolopyrimidine; triazaacenaphthylene	anti-HIV-1 agent; metabolite
alloin	[no description available]	low	0	0	anthracenes; C-glycosyl compound; cyclic ketone; phenols	laxative; metabolite
longipinene	[no description available]	low	0	0	alpha-longipinene	metabolite
parkeol	[no description available]	low	0	0	3beta-hydroxy-4,4-dimethylsteroid; 3beta-sterol; tetracyclic triterpenoid	metabolite
rutundic acid	[no description available]	low	0	0	triterpenoid	metabolite
a-factor (streptomyces)	[no description available]	low	0	0	butan-4-olide; primary alcohol	metabolite
taraxasteryl acetate	[no description available]	low	0	0	triterpenoid	metabolite
chikusetsu saponin iva	[no description available]	low	0	0	triterpenoid saponin	metabolite
xestoaminol c	[no description available]	low	0	0	amino alcohol; sphingoid	metabolite
malyngamide A	[no description available]	low	0	0	dicarboximide	metabolite
simalikalactone D	[no description available]	medium	0	0	cyclic ether; delta-lactone; enone; organic heteropentacyclic compound; quassinoid; secondary alcohol; secondary alpha-hydroxy ketone; triol	antimalarial; antineoplastic agent; antiviral agent; metabolite
friedelane	[no description available]	low	0	0	triterpene	metabolite
shamixanthone	[no description available]	low	0	0	cyclic ketone; phenols; pyranoxanthene	metabolite
17,18-epoxy-5,8,11,14-eicosatetraenoic acid	[no description available]	low	0	0	EpETE	metabolite
chaetominine	[no description available]	low	0	0	indole alkaloid; lactam; organic heterotetracyclic compound; quinazolines	metabolite
schweinfurthin g	[no description available]	low	0	0	cyclic ether; organic heterotricyclic compound; resorcinols; stilbenoid	antineoplastic agent; metabolite
salmon calcitonin	[no description available]	low	0	0	heterodetic cyclic peptide; peptide hormone; polypeptide	bone density conservation agent; metabolite
complestatin	[no description available]	low	0	0	cyclic ether; heterodetic cyclic peptide; indoles; organic heterobicyclic compound; organochlorine compound; peptide antibiotic; polyphenol	anti-HIV-1 agent; antimicrobial agent; HIV-1 integrase inhibitor; metabolite
neuroprotectin a	[no description available]	low	0	0	cyclic ether; heterodetic cyclic peptide; indoles; organochlorine compound; polyphenol	HIV-1 integrase inhibitor; metabolite
alx-0600	[no description available]	low	0	0	polypeptide	antioxidant; glucagon-like peptide-2 receptor agonist; metabolite; protective agent
schweinfurthin f	[no description available]	low	0	0	cyclic ether; organic heterotricyclic compound; resorcinols; stilbenoid	metabolite
antrocamphin a	[no description available]	low	0	0	methoxybenzenes	anti-inflammatory agent; metabolite
respirantin	[no description available]	low	0	0	benzamides; cyclodepsipeptide; formamides; phenols	antimicrobial agent; antineoplastic agent; metabolite
streptobiosamine	[no description available]	low	0	0	amino disaccharide	metabolite
interiotherin b	[no description available]	medium	0	0	aromatic ether; fatty acid ester; lignan; organic heteropentacyclic compound; oxacycle	anti-HIV agent; metabolite
succinyladenosine	[no description available]	low	0	0	adenosines; amino dicarboxylic acid; L-aspartic acid derivative	metabolite
6-tuliposide a	[no description available]	low	0	0	6-O-acyl-D-glucose; homoallylic alcohol	allergen; metabolite
glycochenodeoxycholate-3-sulfate	[no description available]	low	0	0	7alpha-hydroxy steroid; bile acid glycine conjugate; steroid sulfate	metabolite
wewakazole	[no description available]	low	0	0	cyclic peptide	metabolite
spongia-13(16),14-dien-19-oic acid	[no description available]	low	0	0	cyclic ether; monocarboxylic acid; tetracyclic diterpenoid	androgen antagonist; metabolite
Icariside E4	[no description available]	low	0	0	benzofurans	metabolite
lucidenic acid n	[no description available]	low	0	0	cyclic terpene ketone; dioxo monocarboxylic acid; secondary alcohol; tetracyclic triterpenoid	antineoplastic agent; EC 3.1.1.8 (cholinesterase) inhibitor; metabolite
dihydroagarofuran	[no description available]	low	0	0	bridged compound; cyclic ether; eudesmane sesquiterpenoid; organic heterotricyclic compound	metabolite
23-epi-26-deoxyactein	[no description available]	low	0	0	triterpenoid	metabolite
23-hydroxybetulinic acid	[no description available]	low	0	0	triterpenoid	metabolite
(1S,3aR,4S,6S,6aS,9aS,9bS)-9a-isocyano-6-(2-isocyano-2-methylpropyl)-1,4-dimethyl-7-methylidene-2,3,3a,4,5,6,6a,8,9,9b-decahydro-1H-phenalene	[no description available]	low	0	0	diterpenoid	metabolite
bromophycolide a	[no description available]	low	0	0	diterpenoid; macrolide; organobromine compound; phenols; tertiary alcohol	anti-HIV agent; antibacterial agent; antifungal agent; antimalarial; antineoplastic agent; metabolite
2-acetamidoglucal	[no description available]	low	0	0	acetamides; glycal derivative	metabolite
diorcinol	[no description available]	low	0	0	aromatic ether; phenols	fungal metabolite; marine metabolite; metabolite
caribenol a	[no description available]	low	0	0	organic heterotetracyclic compound; terpene lactone; tertiary alcohol	antimalarial; antitubercular agent; metabolite
halisulfate 1	[no description available]	low	0	0	organic molecular entity	metabolite
6-O-feruloylcatalpol	[no description available]	low	0	0	hydroxycinnamic acid	metabolite
grassypeptolide	[no description available]	low	0	0	cyclodepsipeptide; macrocycle	antineoplastic agent; metabolite
essramycin	[no description available]	low	0	0	triazolopyrimidines	metabolite
ainsliadimer a	[no description available]	low	0	0	sesquiterpene lactone; spiro compound	EC 1.14.13.39 (nitric oxide synthase) inhibitor; metabolite
salvileucalin b	[no description available]	low	0	0	bridged compound; diterpenoid; furans; gamma-lactone	antineoplastic agent; metabolite
ciliatamide a	[no description available]	low	0	0	caprolactams; lipopeptide	antileishmanial agent; metabolite
etnangien	[no description available]	low	0	0	hydroxy monocarboxylic acid; macrolide antibiotic	antibacterial agent; metabolite
latrunculol a	[no description available]	low	0	0	macrolide	metabolite
N-trans-sinapoyltyramine	[no description available]	low	0	0	hydroxycinnamic acid	metabolite
lycojapodine a	[no description available]	low	0	0	alkaloid; bridged compound; cyclic ketone; lactone; organic heterotetracyclic compound	anti-HIV-1 agent; EC 3.1.1.7 (acetylcholinesterase) inhibitor; metabolite
epi-maslinic acid	[no description available]	low	0	0	dihydroxy monocarboxylic acid; pentacyclic triterpenoid	anti-inflammatory agent; metabolite
eoxin c4	[no description available]	low	0	0	eoxin; leukotriene	metabolite
brartemicin	[no description available]	low	0	0	benzoate ester; glycosyl glycoside derivative; resorcinols	antimicrobial agent; metabolite
Majusculamide AB	[no description available]	low	0	0	amino acid amide	metabolite
7,8-dihydroxyflavanone	[no description available]	low	0	0	dihydroxyflavanone	antineoplastic agent; metabolite
antcin a	[no description available]	low	0	0	ergostanoid	metabolite
integric acid	[no description available]	low	0	0	carboxylic ester; cyclic ketone; dioxo monocarboxylic acid; enal; enone; eremophilane sesquiterpenoid	HIV-1 integrase inhibitor; metabolite
vanilloloside	[no description available]	low	0	0	glycoside	metabolite
2,3-dihydro-3beta-O-sulfate withaferin A	[no description available]	low	0	0	27-hydroxy steroid; 4-hydroxy steroid; delta-lactone; epoxy steroid; ergostanoid; primary alcohol; steroid sulfate; withanolide	antineoplastic agent; metabolite; plant metabolite
dicranin	[no description available]	low	0	0	acetylenic fatty acid; long-chain fatty acid; straight-chain fatty acid; trienoic fatty acid	antibacterial agent; EC 1.13.11.33 (arachidonate 15-lipoxygenase) inhibitor; metabolite
leachianone a	[no description available]	low	0	0	4'-hydroxyflavanones; monomethoxyflavanone; trihydroxyflavanone	antimalarial; antineoplastic agent; metabolite
hordatine a	[no description available]	low	0	0	aromatic ether; benzofurans; dicarboxylic acid diamide; guanidines; phenols	adrenergic antagonist; metabolite
englerin a	[no description available]	low	0	0	cinnamate ester; glycolate ester; guaiane sesquiterpenoid	antineoplastic agent; metabolite
monanchocidin	[no description available]	low	0	0	organic molecular entity	metabolite
eurycomanone	[no description available]	medium	0	0	cyclic ether; delta-lactone; enone; organic heteropentacyclic compound; pentol; quassinoid; secondary alcohol; secondary alpha-hydroxy ketone; tertiary alcohol	antimalarial; antineoplastic agent; metabolite
sphaeropsidin a	[no description available]	low	0	0	gamma-lactone	metabolite
gardenoside	[no description available]	low	0	0	beta-D-glucoside; cyclopentapyran; enoate ester; methyl ester; monosaccharide derivative; tertiary alcohol	metabolite
landomycin d	[no description available]	low	0	0	anthraquinone	metabolite
3alpha,12alpha-dihydroxy-4alpha-methylergosta-8,24(28)-dien-7,11-dione-26-oic acid	[no description available]	low	0	0	11-oxo steroid; 12alpha-hydroxy steroid; 3alpha-hydroxy steroid; 7-oxo steroid; monocarboxylic acid; secondary alpha-hydroxy ketone; steroid acid	antineoplastic agent; metabolite
antcin k	[no description available]	low	0	0	bile acid	metabolite
3alpha-hydroxy-4alpha-methylergosta-8,24(28)-dien-7,11-dione-26-oic acid	[no description available]	low	0	0	11-oxo steroid; 3alpha-hydroxy steroid; 7-oxo steroid; monocarboxylic acid; steroid acid	antineoplastic agent; cholinergic antagonist; metabolite; serotonergic antagonist
shizukaol B	[no description available]	low	0	0	triterpenoid	metabolite
shizukaol f	[no description available]	low	0	0	triterpenoid	metabolite
calicheamicin gamma(1)i	[no description available]	low	0	0	calicheamicin; enediyne antibiotic; organoiodine compound	antineoplastic agent; metabolite
staphyloxanthin	[no description available]	low	0	0	apo carotenoid triterpenoid; D-aldohexose derivative; fatty acid ester; triol; xanthophyll	antioxidant; biological pigment; metabolite; virulence factor
sm 1 peptide	[no description available]	low	0	0	acetate ester; ergot alkaloid	metabolite
mycocyclosin	[no description available]	low	0	0	2,5-diketopiperazines; organic heterotetracyclic compound; polyphenol	metabolite
callipeltin a	[no description available]	low	0	0	cyclodepsipeptide; guanidines; lactone; oligopeptide; phenols	anti-HIV-1 agent; antifungal agent; metabolite
vinylamycin	[no description available]	low	0	0	cyclodepsipeptide; macrocycle; primary alcohol	antibacterial agent; antimicrobial agent; metabolite
promegestone	[no description available]	low	0	0	terpene lactone	metabolite
lancifodilactone g	[no description available]	low	0	0	cyclic ether; diol; enol; gamma-lactone; oxaspiro compound; triterpenoid	anti-HIV agent; metabolite
rediocide a	[no description available]	low	0	0	diterpenoid; epoxide; ortho ester; terpene lactone	insecticide; metabolite
lasiokaurin	[no description available]	low	0	0	kaurane diterpenoid	metabolite
longikaurin a	[no description available]	low	0	0	kaurane diterpenoid	metabolite
ponicidin	[no description available]	low	0	0	dioxanes	metabolite
(Z)-6,6',7,3'a-Diligustilide	[no description available]	low	0	0	butenolide	metabolite
suvanine	[no description available]	low	0	0	organic molecular entity	metabolite
shizukaol d	[no description available]	low	0	0	triterpenoid	metabolite
thailandepsin a	[no description available]	low	0	0	cyclodepsipeptide	metabolite
nordidemnin b	[no description available]	low	0	0	didemnin	metabolite
4-formylaminooxyvinylglycine	[no description available]	low	0	0	non-proteinogenic alpha-amino acid	metabolite
platycoside e	[no description available]	low	0	0	triterpenoid saponin	metabolite
leuconoxine	[no description available]	low	0	0	alkaloid	metabolite
epidermin	[no description available]	low	0	0	macrocycle; type A lantibiotic	antibacterial agent; metabolite
surfactin A	[no description available]	low	0	0	cyclodepsipeptide; lipopeptide antibiotic; macrocyclic lactone	antibacterial agent; antifungal agent; antineoplastic agent; antiviral agent; metabolite; surfactant
myriaporone 3	[no description available]	low	0	0	beta-hydroxy ketone; epoxide; lactol; oxanes; primary alcohol; secondary alcohol	antineoplastic agent; metabolite
avenacoside b	[no description available]	low	0	0	beta-D-glucoside; hexacyclic triterpenoid; spiroketal; steroid saponin; tetrasaccharide derivative	metabolite
3-methylglutarylcarnitine	[no description available]	low	0	0	O-methylglutarylcarnitine	metabolite
pivaloylcarnitine	[no description available]	low	0	0	C5-acylcarnitine	metabolite
7,8-dihydroneopterin	[no description available]	low	0	0	dihydropterin; neopterins	Escherichia coli metabolite; human metabolite; metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite
guanosine monophosphate	[no description available]	low	0	0	guanosine 5'-phosphate; purine ribonucleoside 5'-monophosphate	biomarker; Escherichia coli metabolite; metabolite; mouse metabolite
2-amino-4-oxo-6-acetyl-7,8-dihydro-3h,9h-pyrimidodiazepine	[no description available]	low	0	0	methyl ketone; pyrimidodiazepine	metabolite
dyspropterin	[no description available]	low	0	0	biopterins; tetrahydropterin	human metabolite; metabolite; mouse metabolite
2'-o-methylguanosine	[no description available]	low	0	0	methylguanosine	metabolite
allopurinol riboside	[no description available]	low	0	0	nucleoside analogue	metabolite
norclozapine	[no description available]	low	0	0	dibenzodiazepine; organochlorine compound; piperazines	delta-opioid receptor agonist; metabolite; serotonergic antagonist
7-methylguanosine	[no description available]	low	0	0	methylguanosine; organic cation	metabolite
3'-o-methylguanosine	[no description available]	low	0	0	methylguanosine	metabolite
primapterin	[no description available]	low	0	0	biopterins	metabolite
7-methylinosine	[no description available]	low	0	0	inosines; organic cation	metabolite
marineosin a	[no description available]	low	0	0	azaspiro compound; ether; macrocycle; oxaspiro compound; pyrroles	antineoplastic agent; metabolite
marineosin b	[no description available]	low	0	0	azaspiro compound; ether; macrocycle; oxaspiro compound; pyrroles	antineoplastic agent; metabolite
perillic acid	[no description available]	low	0	0	alpha,beta-unsaturated monocarboxylic acid; cyclohexenecarboxylic acid	antineoplastic agent; human metabolite; mouse metabolite
pd 173074	[no description available]	low	0	0	aromatic amine; biaryl; dimethoxybenzene; pyridopyrimidine; tertiary amino compound; ureas	antineoplastic agent; EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor; fibroblast growth factor receptor antagonist
aminopropionitrile	[no description available]	low	0	0	aminopropionitrile	antineoplastic agent; antirheumatic drug; collagen cross-linking inhibitor; plant metabolite
7,8-dihydroxyflavone	[no description available]	low	0	0	dihydroxyflavone	antidepressant; antineoplastic agent; antioxidant; plant metabolite; tropomyosin-related kinase B receptor agonist
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
alfuzosin	[no description available]	low	0	0	monocarboxylic acid amide; quinazolines; tetrahydrofuranol	alpha-adrenergic antagonist; antihypertensive agent; antineoplastic agent
am 580	[no description available]	low	0	0	amidobenzoic acid; tetralins	antineoplastic agent; retinoic acid receptor alpha/beta agonist
buformin	[no description available]	low	0	0	biguanides	antineoplastic agent; antiviral agent; geroprotector; hypoglycemic agent; radiosensitizing agent
camostat	[no description available]	low	0	0	benzoate ester; carboxylic ester; diester; guanidines; tertiary carboxamide	anti-inflammatory agent; anticoronaviral agent; antifibrinolytic drug; antihypertensive agent; antineoplastic agent; antiviral agent; serine protease inhibitor
ci 994	[no description available]	low	0	0	acetamides; benzamides; substituted aniline	antineoplastic agent; EC 3.5.1.98 (histone deacetylase) inhibitor
cl 387785	[no description available]	low	0	0	bromobenzenes; quinazolines; secondary carboxamide; ynamide	antineoplastic agent; EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor; epidermal growth factor receptor antagonist
clofibric acid	[no description available]	low	0	0	aromatic ether; monocarboxylic acid; monochlorobenzenes	anticholesteremic drug; antilipemic drug; antineoplastic agent; herbicide; marine xenobiotic metabolite; PPARalpha agonist
dacarbazine	[no description available]	low	0	0	imidazoles; monocarboxylic acid amide; triazene derivative	alkylating agent; antineoplastic agent; carcinogenic agent; prodrug
doxazosin	[no description available]	low	0	0	aromatic amine; benzodioxine; monocarboxylic acid amide; N-acylpiperazine; N-arylpiperazine; quinazolines	alpha-adrenergic antagonist; antihyperplasia drug; antihypertensive agent; antineoplastic agent; vasodilator agent
etanidazole	[no description available]	low	0	0	C-nitro compound; imidazoles; monocarboxylic acid amide	alkylating agent; antineoplastic agent; prodrug; radiosensitizing agent
etidronate	[no description available]	low	0	0	1,1-bis(phosphonic acid)	antineoplastic agent; bone density conservation agent; chelator
miltefosine	[no description available]	low	0	0	phosphocholines; phospholipid	anti-inflammatory agent; anticoronaviral agent; antifungal agent; antineoplastic agent; antiprotozoal drug; apoptosis inducer; immunomodulator; protein kinase inhibitor
6-anilino-5,8-quinolinedione	[no description available]	low	0	0	aminoquinoline; aromatic amine; p-quinones; quinolone	antineoplastic agent; EC 4.6.1.2 (guanylate cyclase) inhibitor
4-(dimethylamino)-n-(7-(hydroxyamino)-7-oxoheptyl)benzamide	[no description available]	low	0	0	benzamides; hydroxamic acid; secondary carboxamide; tertiary amino compound	antineoplastic agent; apoptosis inducer; EC 3.5.1.98 (histone deacetylase) inhibitor
entinostat	[no description available]	low	0	0	benzamides; carbamate ester; primary amino compound; pyridines; substituted aniline	antineoplastic agent; apoptosis inducer; EC 3.5.1.98 (histone deacetylase) inhibitor
n(1), n(12)-diethylspermine	[no description available]	low	0	0	polyazaalkane; secondary amino compound; substituted spermine; tetramine	antineoplastic agent
pipobroman	[no description available]	low	0	0	N-acylpiperazine; organobromine compound; tertiary carboxamide	alkylating agent; antineoplastic agent
pj-34	[no description available]	low	0	0	phenanthridines; secondary carboxamide; tertiary amino compound	angiogenesis inhibitor; anti-inflammatory agent; antiatherosclerotic agent; antineoplastic agent; apoptosis inducer; cardioprotective agent; EC 2.4.2.30 (NAD(+) ADP-ribosyltransferase) inhibitor; neuroprotective agent
procarbazine	[no description available]	low	0	0	benzamides; hydrazines	antineoplastic agent
salicylsalicylic acid	[no description available]	low	0	0	benzoate ester; benzoic acids; phenols; salicylates	antineoplastic agent; antirheumatic drug; EC 3.5.2.6 (beta-lactamase) inhibitor; hypoglycemic agent; non-narcotic analgesic; non-steroidal anti-inflammatory drug; prodrug
semustine	[no description available]	low	0	0	N-nitrosoureas; organochlorine compound	alkylating agent; antineoplastic agent; carcinogenic agent
SU6656	[no description available]	low	0	0	oxindoles; sulfonamide	antineoplastic agent; Aurora kinase inhibitor; EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor
azauridine	[no description available]	low	0	0	N-glycosyl-1,2,4-triazine	antimetabolite; antineoplastic agent; drug metabolite
mechlorethamine hydrochloride	[no description available]	low	0	0	hydrochloride	antineoplastic agent
methyltestosterone	[no description available]	low	0	0	17beta-hydroxy steroid; 3-oxo-Delta(4) steroid; enone	anabolic agent; androgen; antineoplastic agent
dromostanolone	[no description available]	low	0	0	17beta-hydroxy steroid; 3-oxo-5alpha-steroid; anabolic androgenic steroid	anabolic agent; antineoplastic agent
tributyrin	[no description available]	low	0	0	butyrate ester; triglyceride	antineoplastic agent; apoptosis inducer; EC 3.5.1.98 (histone deacetylase) inhibitor; prodrug; protective agent
triaziquone	[no description available]	low	0	0	1,4-benzoquinones; aziridines	alkylating agent; antineoplastic agent
trifluridine	[no description available]	low	0	0	nucleoside analogue; organofluorine compound; pyrimidine 2'-deoxyribonucleoside	antimetabolite; antineoplastic agent; antiviral drug; EC 2.1.1.45 (thymidylate synthase) inhibitor
fluoxymesterone	[no description available]	low	0	0	11beta-hydroxy steroid; 17beta-hydroxy steroid; 3-oxo-Delta(4) steroid; anabolic androgenic steroid; fluorinated steroid	anabolic agent; antineoplastic agent
acetopyrrothine	[no description available]	low	0	0	acetamides; dithiolopyrrolone antibiotic	angiogenesis inhibitor; antibacterial agent; antifungal agent; antineoplastic agent; bacterial metabolite; chelator; EC 2.7.7.6 (RNA polymerase) inhibitor; marine metabolite; protein synthesis inhibitor; toxin
diazomethane	[no description available]	low	0	0	diazo compound	alkylating agent; antineoplastic agent; carcinogenic agent; poison
lucanthone	[no description available]	low	0	0	thioxanthenes	adjuvant; antineoplastic agent; EC 5.99.1.2 (DNA topoisomerase) inhibitor; EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor; mutagen; photosensitizing agent; prodrug; schistosomicide drug
4-methyl-1-(1-methylethyl)-3-cyclohexen-1-ol	[no description available]	low	0	0	terpineol; tertiary alcohol	anti-inflammatory agent; antibacterial agent; antineoplastic agent; antioxidant; antiparasitic agent; apoptosis inducer; plant metabolite; volatile oil component
chlorotrianisene	[no description available]	low	0	0	chloroalkene	antineoplastic agent; estrogen receptor modulator; xenoestrogen
toyocamycin	[no description available]	low	0	0	antibiotic antifungal agent; N-glycosylpyrrolopyrimidine; nitrile; ribonucleoside	antimetabolite; antineoplastic agent; apoptosis inducer; bacterial metabolite
2-hydroxyacetanilide	[no description available]	low	0	0	acetamides; phenols	anti-inflammatory agent; antineoplastic agent; antirheumatic drug; apoptosis inducer; platelet aggregation inhibitor; xenobiotic metabolite
2-fluoroadenine	[no description available]	low	0	0	organofluorine compound; purines	antineoplastic agent
guanazole	[no description available]	low	0	0	aromatic amine; triazoles	antineoplastic agent; DNA synthesis inhibitor; EC 1.17.4.1 (ribonucleoside-diphosphate reductase) inhibitor
diallyl trisulfide	[no description available]	low	0	0	organic trisulfide	anti-inflammatory agent; antilipemic drug; antineoplastic agent; antioxidant; antiprotozoal drug; apoptosis inducer; estrogen receptor antagonist; insecticide; platelet aggregation inhibitor; vasodilator agent
diallyl disulfide	[no description available]	low	0	0	organic disulfide	antifungal agent; antineoplastic agent; plant metabolite
glaucine	[no description available]	low	0	0	aporphine alkaloid; organic heterotetracyclic compound; polyether; tertiary amino compound	antibacterial agent; antineoplastic agent; antitussive; muscle relaxant; NF-kappaB inhibitor; plant metabolite; platelet aggregation inhibitor; rat metabolite
acadesine	[no description available]	low	0	0	1-ribosylimidazolecarboxamide; aminoimidazole; nucleoside analogue	antineoplastic agent; platelet aggregation inhibitor
megestrol	[no description available]	low	0	0	17alpha-hydroxy steroid; 20-oxo steroid; 3-oxo-Delta(4) steroid; tertiary alpha-hydroxy ketone	antineoplastic agent; appetite enhancer; contraceptive drug; progestin; synthetic oral contraceptive
mitomycin a	[no description available]	low	0	0	ether; mitomycin	alkylating agent; antimicrobial agent; antineoplastic agent; toxin
isopentenyladenosine	[no description available]	low	0	0	N-ribosyl-N(6)-isopentenyladenine; nucleoside analogue	antineoplastic agent; plant growth regulator; plant metabolite
ancitabine	[no description available]	low	0	0	diol; organic heterotricyclic compound	antimetabolite; antineoplastic agent; prodrug
2,6-diaminopurine	[no description available]	low	0	0	2,6-diaminopurines; primary amino compound	antineoplastic agent
silybin	[no description available]	low	0	0	aromatic ether; benzodioxine; flavonolignan; polyphenol; secondary alpha-hydroxy ketone	antineoplastic agent; antioxidant; hepatoprotective agent; plant metabolite
glucaric acid	[no description available]	low	0	0	glucaric acid	antineoplastic agent
promegestone	[no description available]	low	0	0	20-oxo steroid; 3-oxo-Delta(4) steroid	antineoplastic agent; progesterone receptor agonist; progestin
nimustine	[no description available]	low	0	0	aminopyrimidine; N-nitrosoureas; organochlorine compound	alkylating agent; antineoplastic agent
vindesine	[no description available]	medium	0	0	methyl ester; organic heteropentacyclic compound; organic heterotetracyclic compound; primary carboxamide; tertiary alcohol; tertiary amino compound; vinca alkaloid	antineoplastic agent
diaziquone	[no description available]	low	0	0	1,4-benzoquinones; aziridines; carbamate ester; enamine	alkylating agent; antineoplastic agent
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
oltipraz	[no description available]	low	0	0	1,2-dithiole; pyrazines	angiogenesis modulating agent; antimutagen; antineoplastic agent; antioxidant; EC 3.1.3.48 (protein-tyrosine-phosphatase) inhibitor; neurotoxin; protective agent; schistosomicide drug
fazarabine	[no description available]	low	0	0	N-glycosyl-1,3,5-triazine; nucleoside analogue	antineoplastic agent
bisantrene	[no description available]	low	0	0	anthracenes; hydrazone; imidazolidines	antineoplastic agent
nitrogenase stabilizing-protective protein, bacteria	[no description available]	low	0	0	N-[4-cyano-3-(trifluoromethyl)phenyl]-3-[(4-fluorophenyl)sulfonyl]-2-hydroxy-2-methylpropanamide	androgen antagonist; antineoplastic agent
bmy 25067	[no description available]	low	0	0	C-nitro compound; organic disulfide	antineoplastic agent
gemcitabine	[no description available]	low	0	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
capecitabine	[no description available]	low	0	0	carbamate ester; cytidines; organofluorine compound	antimetabolite; antineoplastic agent; prodrug
nelfinavir mesylate	[no description available]	low	0	0	methanesulfonate salt	antineoplastic agent; HIV protease inhibitor
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
1,2,3,4,6-pentakis-O-galloyl-beta-D-glucose	[no description available]	low	0	0	gallate ester; galloyl beta-D-glucose	anti-inflammatory agent; antineoplastic agent; geroprotector; hepatoprotective agent; plant metabolite; radiation protective agent; radical scavenger
triptonide	[no description available]	low	0	0	butenolide; cyclic ketone; diterpene triepoxide; organic heteroheptacyclic compound	anti-inflammatory agent; antineoplastic agent; immunosuppressive agent
3'-deoxyadenosine 5'-triphosphate	[no description available]	low	0	0	purine ribonucleoside 5'-triphosphate	antifungal agent; antimetabolite; antineoplastic agent; antiviral agent
lupulon	[no description available]	low	0	0	beta-bitter acid	angiogenesis inhibitor; antimicrobial agent; antineoplastic agent; apoptosis inducer
ethinylestradiol-3-sulfate	[no description available]	low	0	0	17beta-hydroxy steroid; steroid sulfate	antineoplastic agent; estrogen
lonazolac	[no description available]	low	0	0	monocarboxylic acid; monochlorobenzenes; pyrazoles	antineoplastic agent; EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor; non-narcotic analgesic; non-steroidal anti-inflammatory drug
bromopyruvate	[no description available]	low	0	0	2-oxo monocarboxylic acid; organobromine compound; oxo carboxylic acid	alkylating agent; antineoplastic agent
enrofloxacin	[no description available]	low	0	0	cyclopropanes; N-alkylpiperazine; N-arylpiperazine; organofluorine compound; quinolinemonocarboxylic acid; quinolone	antibacterial agent; antimicrobial agent; antineoplastic agent
dexrazoxane	[no description available]	low	0	0	razoxane	antineoplastic agent; cardiovascular drug; chelator; immunosuppressive agent
dw a 2114r	[no description available]	low	0	0	platinum coordination entity; pyrrolidines	antineoplastic agent
prednisolone phosphate	[no description available]	low	0	0	11beta-hydroxy steroid; 17alpha-hydroxy steroid; 20-oxo steroid; 3-oxo-Delta(1),Delta(4)-steroid; glucocorticoid; steroid phosphate; tertiary alpha-hydroxy ketone	anti-inflammatory agent; antineoplastic agent; glucocorticoid receptor agonist; prodrug
nobiletin	[no description available]	low	0	0	methoxyflavone	antineoplastic agent; plant metabolite
alantolactone	[no description available]	low	0	0	naphthofuran; olefinic compound; sesquiterpene lactone	antineoplastic agent; apoptosis inducer; plant metabolite
kaurenoic acid	[no description available]	low	0	0	ent-kaurane diterpenoid	anti-HIV-1 agent; antineoplastic agent; plant metabolite
xanthomicrol	[no description available]	low	0	0	dihydroxyflavone; trimethoxyflavone	antineoplastic agent; plant metabolite
voacamine	[no description available]	medium	0	0	alkaloid ester; methyl ester; monoterpenoid indole alkaloid; organic heteropentacyclic compound; tertiary amino compound	angiogenesis inhibitor; antineoplastic agent; plant metabolite
brazilin	[no description available]	low	0	0	catechols; organic heterotetracyclic compound; tertiary alcohol	anti-inflammatory agent; antibacterial agent; antineoplastic agent; antioxidant; apoptosis inducer; biological pigment; hepatoprotective agent; histological dye; NF-kappaB inhibitor; plant metabolite
uvaretin	[no description available]	low	0	0	aromatic ether; dihydrochalcones; polyketide; resorcinol	antineoplastic agent; plant metabolite
fangchinoline	[no description available]	low	0	0	aromatic ether; bisbenzylisoquinoline alkaloid; macrocycle	anti-HIV-1 agent; anti-inflammatory agent; antineoplastic agent; antioxidant; neuroprotective agent; plant metabolite
maslinic acid	[no description available]	low	0	0	dihydroxy monocarboxylic acid; pentacyclic triterpenoid	anti-inflammatory agent; antineoplastic agent; antioxidant; plant metabolite
tetrazolium violet	[no description available]	low	0	0	organic chloride salt	antineoplastic agent; apoptosis inducer; dye
irinotecan hydrochloride	[no description available]	low	0	0	hydrochloride	antineoplastic agent; apoptosis inducer; EC 5.99.1.2 (DNA topoisomerase) inhibitor; prodrug
5-(3-methyl-1-triazeno)imidazole-4-carboxamide	[no description available]	low	0	0	imidazoles; monocarboxylic acid amide; triazene derivative	alkylating agent; antineoplastic agent
hydroxyguanidine	[no description available]	low	0	0	guanidines; one-carbon compound	antineoplastic agent; antiviral agent
cryptolepine	[no description available]	low	0	0	indole alkaloid; organic heterotetracyclic compound; organonitrogen heterocyclic compound	anti-inflammatory agent; antimalarial; antineoplastic agent; cysteine protease inhibitor; plant metabolite
terreic acid	[no description available]	low	0	0	arene epoxide; diketone; monohydroxy-1,4-benzoquinones; tertiary alpha-hydroxy ketone	antibacterial agent; antineoplastic agent; Aspergillus metabolite; EC 2.3.1.* (acyltransferase transferring other than amino-acyl group) inhibitor; EC 2.5.1.7 (UDP-N-acetylglucosamine 1-carboxyvinyltransferase) inhibitor; EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor; mycotoxin
4-methylumbelliferyl glucuronide	[no description available]	low	0	0	beta-D-glucosiduronic acid; coumarins; monosaccharide derivative	antineoplastic agent; chromogenic compound; hyaluronan synthesis inhibitor
9-hydroxyellipticine	[no description available]	low	0	0	organic heterotetracyclic compound; organonitrogen heterocyclic compound	antineoplastic agent
beta-peltatin	[no description available]	low	0	0	furonaphthodioxole; gamma-lactone; lignan; organic heterotetracyclic compound; phenols	antineoplastic agent; plant metabolite
cryptopleurine	[no description available]	medium	0	0	alkaloid antibiotic; alkaloid; aromatic ether; organic heteropentacyclic compound	antineoplastic agent; antiviral agent; protein synthesis inhibitor
sugiol	[no description available]	low	0	0	abietane diterpenoid; carbotricyclic compound; cyclic terpene ketone; meroterpenoid; phenols	antineoplastic agent; antioxidant; antiviral agent; plant metabolite; radical scavenger
eupatorin	[no description available]	low	0	0	dihydroxyflavone; polyphenol; trimethoxyflavone	anti-inflammatory agent; antineoplastic agent; apoptosis inducer; Brassica napus metabolite; calcium channel blocker; P450 inhibitor; vasodilator agent
1-methyltryptophan	[no description available]	low	0	0	non-proteinogenic alpha-amino acid; tryptophan derivative	antineoplastic agent; EC 1.13.11.52 (indoleamine 2,3-dioxygenase) inhibitor
atromentin	[no description available]	low	0	0	dihydroxy-1,4-benzoquinones; polyphenol	antibacterial agent; anticoagulant; antineoplastic agent; apoptosis inducer; biological pigment; EC 1.3.1.9 [enoyl-[acyl-carrier-protein] reductase (NADH)] inhibitor; fungal metabolite
ici 164384	[no description available]	low	0	0	17beta-hydroxy steroid; 3-hydroxy steroid; tertiary carboxamide	anti-estrogen; antineoplastic agent; estrogen receptor antagonist
sn 38	[no description available]	low	0	0	delta-lactone; phenols; pyranoindolizinoquinoline; tertiary alcohol	antineoplastic agent; apoptosis inducer; drug metabolite; EC 5.99.1.2 (DNA topoisomerase) inhibitor
fingolimod	[no description available]	low	0	0	aminodiol; primary amino compound	antineoplastic agent; CB1 receptor antagonist; immunosuppressive agent; prodrug; sphingosine-1-phosphate receptor agonist
tamibarotene	[no description available]	low	0	0	dicarboxylic acid monoamide; retinoid; tetralins	antineoplastic agent; retinoic acid receptor alpha/beta agonist
ecteinascidin 743	[no description available]	low	0	0	acetate ester; azaspiro compound; bridged compound; hemiaminal; isoquinoline alkaloid; lactone; organic heteropolycyclic compound; organic sulfide; oxaspiro compound; polyphenol; tertiary amino compound	alkylating agent; angiogenesis modulating agent; anti-inflammatory agent; antineoplastic agent; marine metabolite
kahweol	[no description available]	medium	0	0	diterpenoid; furans; organic heteropentacyclic compound; primary alcohol; tertiary alcohol	angiogenesis inhibitor; anti-inflammatory agent; antineoplastic agent; antioxidant; apoptosis inducer; plant metabolite
selenomethylselenocysteine	[no description available]	low	0	0	non-proteinogenic alpha-amino acid; selenocysteines	antineoplastic agent; human metabolite
5-(tetradecyloxy)-2-furancarboxylic acid	[no description available]	low	0	0	aromatic ether; furoic acid	antineoplastic agent; apoptosis inducer; EC 6.4.1.2 (acetyl-CoA carboxylase) inhibitor; PPARalpha agonist
sc 58125	[no description available]	low	0	0	organofluorine compound; pyrazoles; sulfone	antineoplastic agent; cyclooxygenase 2 inhibitor
marimastat	[no description available]	low	0	0	hydroxamic acid; secondary carboxamide	antineoplastic agent; matrix metalloproteinase inhibitor
1'-acetoxychavicol acetate	[no description available]	low	0	0	acetate ester; phenylpropanoid	antineoplastic agent; NF-kappaB inhibitor; plant metabolite
ginsenoside rh2	[no description available]	low	0	0	12beta-hydroxy steroid; 20-hydroxy steroid; beta-D-glucoside; ginsenoside; tetracyclic triterpenoid	antineoplastic agent; apoptosis inducer; bone density conservation agent; cardioprotective agent; hepatoprotective agent; plant metabolite
trapoxin a	[no description available]	low	0	0	epoxide; homodetic cyclic peptide; ketone	antineoplastic agent; EC 3.5.1.98 (histone deacetylase) inhibitor; fungal metabolite
aminolevulinic acid hydrochloride	[no description available]	low	0	0	hydrochloride	antineoplastic agent; dermatologic drug; photosensitizing agent; prodrug
vadimezan	[no description available]	low	0	0	monocarboxylic acid; xanthones	antineoplastic agent
rubimaillin	[no description available]	low	0	0	benzochromene; methyl ester; phenols	acyl-CoA:cholesterol acyltransferase 2 inhibitor; anti-inflammatory agent; antineoplastic agent; apoptosis inducer; neuroprotective agent; NF-kappaB inhibitor; plant metabolite
4-carbamoylimidazolium 5-olate	[no description available]	low	0	0	hydroxyimidazole; monocarboxylic acid amide	antineoplastic agent
nsc 224070	[no description available]	low	0	0	1,4-benzoquinones; aziridines; enamine; primary alcohol; secondary amino compound	alkylating agent; antineoplastic agent
psorospermin	[no description available]	low	0	0	epoxide; organic heterotetracyclic compound; xanthones	antineoplastic agent; plant metabolite
ay 25545	[no description available]	low	0	0	acetate ester; aromatic ether; C-glycosyl compound; naphthoisochromene; olefinic compound; phenols; tertiary amine	antimicrobial agent; antineoplastic agent; bacterial metabolite
3,7-dihydroxytropolone	[no description available]	low	0	0	alpha-hydroxy ketone; cyclic ketone; enol; triol	antineoplastic agent; bacterial metabolite
delphinidin	[no description available]	low	0	0	5-hydroxyanthocyanidin	antineoplastic agent; biological pigment; plant metabolite
tamsulosin	[no description available]	low	0	0	5-(2-{[2-(2-ethoxyphenoxy)ethyl]amino}propyl)-2-methoxybenzenesulfonamide	alpha-adrenergic antagonist; antineoplastic agent
saintopin	[no description available]	low	0	0	tetracenequinones	antineoplastic agent; EC 5.99.1.2 (DNA topoisomerase) inhibitor; fungal metabolite; intercalator
6-bromo-3-(bromomethyl)-7-methyl-2,3,7-trichloro-1-octene	[no description available]	low	0	0	monoterpenoid; organobromine compound; organochlorine compound	algal metabolite; antineoplastic agent; marine metabolite
ilomastat	[no description available]	low	0	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
pomalidomide	[no description available]	low	0	0	aromatic amine; dicarboximide; isoindoles; piperidones	angiogenesis inhibitor; antineoplastic agent; immunomodulator
tempol	[no description available]	low	0	0	aminoxyls; hydroxypiperidine	anti-inflammatory agent; antineoplastic agent; apoptosis inducer; catalyst; hepatoprotective agent; nephroprotective agent; neuroprotective agent; radical scavenger
selenomethylselenocysteine	[no description available]	low	0	0	amino acid zwitterion; L-selenocysteine derivative; non-proteinogenic L-alpha-amino acid; Se-methylselenocysteine	antineoplastic agent
10-propargyl-10-deazaaminopterin	[no description available]	low	0	0	N-acyl-L-glutamic acid; pteridines; terminal acetylenic compound	antimetabolite; antineoplastic agent; EC 1.5.1.3 (dihydrofolate reductase) inhibitor
docetaxel	[no description available]	low	0	0	hydrate; secondary alpha-hydroxy ketone	antineoplastic agent
lonafarnib	[no description available]	low	0	0	4-{2-[4-(3,10-dibromo-8-chloro-6,11-dihydro-5H-benzo[5,6]cyclohepta[1,2-b]pyridin-11-yl)piperidin-1-yl]-2-oxoethyl}piperidine-1-carboxamide	antineoplastic agent; EC 2.5.1.58 (protein farnesyltransferase) inhibitor
6-azauridine-5'-monophosphate	[no description available]	low	0	0	N-glycosyl-1,2,4-triazine; nucleoside monophosphate analogue	antineoplastic agent; EC 4.1.1.23 (orotidine-5'-phosphate decarboxylase) inhibitor
ptk 787	[no description available]	low	0	0	succinate salt	angiogenesis inhibitor; antineoplastic agent; EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor; vascular endothelial growth factor receptor antagonist
vatalanib	[no description available]	low	0	0	monochlorobenzenes; phthalazines; pyridines; secondary amino compound	angiogenesis inhibitor; antineoplastic agent; EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor; vascular endothelial growth factor receptor antagonist
cyc 682	[no description available]	low	0	0	nitrile; nucleoside analogue; secondary carboxamide	antimetabolite; antineoplastic agent; DNA synthesis inhibitor; prodrug
canertinib	[no description available]	low	0	0	monochlorobenzenes; morpholines; organofluorine compound; quinazolines	antineoplastic agent; tyrosine kinase inhibitor
methyl 5-aminolevulinate hydrochloride	[no description available]	low	0	0	hydrochloride	antineoplastic agent; dermatologic drug; photosensitizing agent; prodrug
methyl 5-aminolevulinate	[no description available]	low	0	0	delta-amino acid ester	antineoplastic agent; dermatologic drug; photosensitizing agent; prodrug
tipifarnib	[no description available]	low	0	0	imidazoles; monochlorobenzenes; primary amino compound; quinolone	antineoplastic agent; apoptosis inducer; EC 2.5.1.58 (protein farnesyltransferase) inhibitor
aklavinone	[no description available]	low	0	0	anthracycline; methyl ester; tertiary alcohol; tetracenequinones	antineoplastic agent
actinodaphine	[no description available]	medium	0	0	aporphine alkaloid; aromatic ether; organic heteropentacyclic compound; phenols; secondary amino compound	antibacterial agent; antifungal agent; antineoplastic agent; apoptosis inducer; plant metabolite; platelet aggregation inhibitor; topoisomerase inhibitor
anonaine	[no description available]	medium	0	0	aporphine alkaloid; organic heteropentacyclic compound; oxacycle	antineoplastic agent; antiplasmodial drug; trypanocidal drug
4'-demethyldesoxypodophyllotoxin	[no description available]	low	0	0	furonaphthodioxole; gamma-lactone; lignan; methoxybenzenes; phenols	antineoplastic agent; antioxidant; immunosuppressive agent; plant metabolite
salvigenin	[no description available]	low	0	0	monohydroxyflavone; trimethoxyflavone	antilipemic drug; antineoplastic agent; apoptosis inhibitor; autophagy inducer; hypoglycemic agent; immunomodulator; neuroprotective agent; plant metabolite
deferrioxamine e	[no description available]	low	0	0	cyclic desferrioxamine; cyclic hydroxamic acid; macrocycle	antineoplastic agent; bacterial metabolite; marine metabolite; siderophore
methylselenic acid	[no description available]	low	0	0	one-carbon compound; organoselenium compound	antineoplastic agent; EC 3.5.1.98 (histone deacetylase) inhibitor; human xenobiotic metabolite
acetyl aleuritolic acid	[no description available]	low	0	0	acetate ester; monocarboxylic acid; pentacyclic triterpenoid	antineoplastic agent; plant metabolite
withanolide d	[no description available]	low	0	0	20-hydroxy steroid; 4-hydroxy steroid; delta-lactone; enone; epoxy steroid; ergostanoid; secondary alcohol; tertiary alcohol; withanolide	antineoplastic agent
myricanone	[no description available]	low	0	0	aromatic ether; cyclic ketone; diarylheptanoid; methoxybenzenes; phenols	antineoplastic agent; plant metabolite
cirsilineol	[no description available]	low	0	0	dihydroxyflavone; trimethoxyflavone	antineoplastic agent; plant metabolite
pannarin	[no description available]	low	0	0	aldehyde; aromatic ether; depsidones; organic heterotricyclic compound; organochlorine compound; phenols	antimicrobial agent; antineoplastic agent; apoptosis inducer; lichen metabolite
6-methylthiohexyl isothiocyanate	[no description available]	low	0	0	isothiocyanate; methyl sulfide	antineoplastic agent; Arabidopsis thaliana metabolite; EC 4.1.1.17 (ornithine decarboxylase) inhibitor; neuroprotective agent
pectolinarin	[no description available]	low	0	0	dimethoxyflavone; disaccharide derivative; glycosyloxyflavone; monohydroxyflavanone; rutinoside	anti-inflammatory agent; antineoplastic agent; antioxidant; apoptosis inducer; EC 3.4.22.69 (SARS coronavirus main proteinase) inhibitor; plant metabolite
albicanol	[no description available]	low	0	0	carbobicyclic compound; homoallylic alcohol; primary alcohol; sesquiterpenoid	antifeedant; antifungal agent; antineoplastic agent; fungal metabolite; mammalian metabolite; marine metabolite; plant metabolite
asperphenamate	[no description available]	low	0	0	benzamides; carboxylic ester; L-phenylalanine derivative	antineoplastic agent
erlotinib hydrochloride	[no description available]	low	0	0	hydrochloride; terminal acetylenic compound	antineoplastic agent; protein kinase inhibitor
helioxanthin	[no description available]	low	0	0	benzodioxoles; furonaphthodioxole; lignan	anti-HBV agent; antineoplastic agent; plant metabolite
top 53	[no description available]	low	0	0	furonaphthodioxole; gamma-lactone; organic heterotetracyclic compound; phenols; tertiary amino compound	antineoplastic agent; EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor
5-heptadecylresorcinol	[no description available]	low	0	0	5-alkylresorcinol	antineoplastic agent; plant metabolite
minquartynoic acid	[no description available]	low	0	0	acetylenic fatty acid; hydroxy polyunsaturated fatty acid; long-chain fatty acid; straight-chain fatty acid; tetrayne	antimalarial; antineoplastic agent; antiviral agent
scutellarin	[no description available]	low	0	0	glucosiduronic acid; glycosyloxyflavone; monosaccharide derivative; trihydroxyflavone	antineoplastic agent; proteasome inhibitor
2,5-dihydroxybenzyl alcohol	[no description available]	low	0	0	aromatic primary alcohol; phenols	antineoplastic agent; antioxidant; apoptosis inhibitor; fungal metabolite
chrysosplenol c	[no description available]	low	0	0	trihydroxyflavone; trimethoxyflavone	antineoplastic agent; antiviral agent; plant metabolite
lanperisone	[no description available]	low	0	0	2-methyl-3-(pyrrolidin-1-yl)-1-[4-(trifluoromethyl)phenyl]propan-1-one	antineoplastic agent; calcium channel blocker; ferroptosis inducer; muscle relaxant; voltage-gated sodium channel blocker
(-)-gallocatechin gallate	[no description available]	low	0	0	catechin; gallate ester; polyphenol	antineoplastic agent; EC 3.4.22.69 (SARS coronavirus main proteinase) inhibitor; human xenobiotic metabolite; plant metabolite
orantinib	[no description available]	low	0	0	monocarboxylic acid; oxindoles; pyrroles	antineoplastic agent; EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor; vascular endothelial growth factor receptor antagonist
firocoxib	[no description available]	low	0	0	butenolide; cyclopropanes; enol ether; sulfone	antineoplastic agent; cyclooxygenase 2 inhibitor; non-narcotic analgesic; non-steroidal anti-inflammatory drug
2-(4-morpholinoanilino)-6-cyclohexylaminopurine	[no description available]	low	0	0	morpholines; purines; secondary amino compound; tertiary amino compound	adenosine A3 receptor antagonist; antineoplastic agent; Aurora kinase inhibitor; cell dedifferentiation agent
sorafenib	[no description available]	low	0	0	(trifluoromethyl)benzenes; aromatic ether; monochlorobenzenes; phenylureas; pyridinecarboxamide	angiogenesis inhibitor; anticoronaviral agent; antineoplastic agent; EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor; ferroptosis inducer; tyrosine kinase inhibitor
lasofoxifene	[no description available]	low	0	0	aromatic ether; N-alkylpyrrolidine; naphthols; tetralins	antineoplastic agent; bone density conservation agent; cardioprotective agent; estrogen receptor agonist; estrogen receptor antagonist
l 778,123	[no description available]	low	0	0	hydrochloride	antineoplastic agent; EC 2.5.1.58 (protein farnesyltransferase) inhibitor; EC 2.5.1.59 (protein geranylgeranyltransferase type I) inhibitor; radiosensitizing agent
l 778,123	[no description available]	low	0	0	imidazoles; monochlorobenzenes; nitrile; piperazinone; tertiary amino compound	antineoplastic agent; EC 2.5.1.58 (protein farnesyltransferase) inhibitor; EC 2.5.1.59 (protein geranylgeranyltransferase type I) inhibitor
n-(3-chloro-7-indolyl)-1,4-benzenedisulphonamide	[no description available]	low	0	0	chloroindole; organochlorine compound; sulfonamide	antineoplastic agent; EC 4.2.1.1 (carbonic anhydrase) inhibitor
diflomotecan	[no description available]	medium	0	0	epsilon-lactone; organic heteropentacyclic compound; organofluorine compound; organonitrogen heterocyclic compound; tertiary alcohol	antineoplastic agent; EC 5.99.1.2 (DNA topoisomerase) inhibitor
dromostanolone propionate	[no description available]	low	0	0	3-oxo-5alpha-steroid; steroid ester	antineoplastic agent
estramustine	[no description available]	low	0	0	17beta-hydroxy steroid; carbamate ester; organochlorine compound	alkylating agent; antineoplastic agent; radiation protective agent
withaferin a	[no description available]	low	0	0	27-hydroxy steroid; 4-hydroxy steroid; delta-lactone; enone; epoxy steroid; ergostanoid; primary alcohol; secondary alcohol; withanolide	antineoplastic agent; apoptosis inducer
elesclomol	[no description available]	low	0	0	carbohydrazide; thiocarbonyl compound	antineoplastic agent; apoptosis inducer
anthricin	[no description available]	low	0	0	furonaphthodioxole; gamma-lactone; lignan; methoxybenzenes	antineoplastic agent; apoptosis inducer; plant metabolite
taiwanin c	[no description available]	low	0	0	benzodioxoles; furonaphthodioxole; lignan	antineoplastic agent; plant metabolite; platelet aggregation inhibitor
o-(chloroacetylcarbamoyl)fumagillol	[no description available]	low	0	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
gant 61	[no description available]	low	0	0	aminal; dialkylarylamine; pyridines; substituted aniline; tertiary amino compound	antineoplastic agent; apoptosis inducer; glioma-associated oncogene inhibitor; Hedgehog signaling pathway inhibitor
glaucarubinone	[no description available]	medium	0	0	carboxylic ester; organic heteropentacyclic compound; quassinoid; secondary alpha-hydroxy ketone; tertiary alpha-hydroxy ketone; tetrol	antimalarial; antineoplastic agent; geroprotector; plant metabolite
helveticoside	[no description available]	low	0	0	14beta-hydroxy steroid; 5beta-hydroxy steroid; cardenolide glycoside; digitoxoside; monosaccharide derivative; steroid aldehyde; steroid lactone	antineoplastic agent; apoptosis inducer; plant metabolite
ginsenoside rf	[no description available]	low	0	0	12beta-hydroxy steroid; 20-hydroxy steroid; 3beta-hydroxy-4,4-dimethylsteroid; 3beta-hydroxy steroid; beta-D-glucoside; disaccharide derivative; ginsenoside; tetracyclic triterpenoid	antineoplastic agent; apoptosis inducer; plant metabolite
ferruginol	[no description available]	low	0	0	abietane diterpenoid; carbotricyclic compound; meroterpenoid; phenols	antibacterial agent; antineoplastic agent; plant metabolite; protective agent
mucronulatol	[no description available]	low	0	0	hydroxyisoflavans; methoxyisoflavan	antineoplastic agent; plant metabolite
syringaresinol	[no description available]	low	0	0	syringaresinol	antineoplastic agent
enkephalin, methionine	[no description available]	low	0	0	pentapeptide; peptide zwitterion	analgesic; antineoplastic agent; delta-opioid receptor agonist; human metabolite; mu-opioid receptor agonist
devazepide	[no description available]	low	0	0	1,4-benzodiazepinone; indolecarboxamide	antineoplastic agent; apoptosis inducer; cholecystokinin antagonist; gastrointestinal drug
sodium arsenite	[no description available]	low	0	0	arsenic molecular entity; inorganic sodium salt	antibacterial agent; antifungal agent; antineoplastic agent; carcinogenic agent; herbicide; insecticide; rodenticide
kerriamycin b	[no description available]	low	0	0	angucycline antibiotic	antineoplastic agent
carubicin	[no description available]	low	0	0	aminoglycoside antibiotic; anthracycline antibiotic; p-quinones; tertiary alpha-hydroxy ketone; tetracenequinones	antineoplastic agent; apoptosis inducer
docosahexaenoate	[no description available]	low	0	0	docosahexaenoic acid; omega-3 fatty acid	algal metabolite; antineoplastic agent; Daphnia tenebrosa metabolite; human metabolite; mouse metabolite; nutraceutical
eicosapentaenoic acid	[no description available]	low	0	0	icosapentaenoic acid; omega-3 fatty acid	anticholesteremic drug; antidepressant; antineoplastic agent; Daphnia galeata metabolite; fungal metabolite; micronutrient; mouse metabolite; nutraceutical
formycin	[no description available]	low	0	0	formycin	antineoplastic agent
neocarzinostatin chromophore	[no description available]	low	0	0	cyclopentacyclononaoxirene; D-galactosaminide; dioxolane; monosaccharide derivative; naphthoate ester	antineoplastic agent
n(1)-guanyl-1,7-diaminoheptane	[no description available]	low	0	0	guanidines; primary amino compound	antineoplastic agent; EC 2.5.1.46 (deoxyhypusine synthase) inhibitor
bms 214662	[no description available]	low	0	0	benzenes; benzodiazepine; imidazoles; nitrile; sulfonamide; thiophenes	antineoplastic agent; apoptosis inducer; EC 2.5.1.58 (protein farnesyltransferase) inhibitor
8-(2-chloro-3,4,5-trimethoxybenzyl)-2-fluoro-9-pent-4-yn-1-yl-9H-purin-6-amine	[no description available]	low	0	0	6-aminopurines; acetylenic compound; methoxybenzenes; monochlorobenzenes; organofluorine compound	antineoplastic agent; Hsp90 inhibitor
aclarubicin	[no description available]	low	0	0	aminoglycoside; anthracycline; methyl ester; phenols; polyketide; tetracenequinones; trisaccharide derivative; zwitterion	antimicrobial agent; antineoplastic agent; apoptosis inducer; bacterial metabolite; EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor
tiazofurin	[no description available]	low	0	0	1,3-thiazoles; C-glycosyl compound; monocarboxylic acid amide	antineoplastic agent; EC 1.1.1.205 (IMP dehydrogenase) inhibitor; prodrug
prinomastat	[no description available]	low	0	0	aromatic ether; hydroxamic acid; pyridines; sulfonamide; thiomorpholines	antineoplastic agent; EC 3.4.24.35 (gelatinase B) inhibitor; matrix metalloproteinase inhibitor
antofine	[no description available]	medium	0	0	alkaloid antibiotic; alkaloid; aromatic ether; organic heteropentacyclic compound	angiogenesis inhibitor; anti-inflammatory agent; antimicrobial agent; antineoplastic agent; antiviral agent; phytotoxin; plant metabolite
vedelianin	[no description available]	low	0	0	cyclic ether; organic heterotricyclic compound; resorcinols; stilbenoid	antineoplastic agent; plant metabolite
s 1033	[no description available]	low	0	0	(trifluoromethyl)benzenes; imidazoles; pyridines; pyrimidines; secondary amino compound; secondary carboxamide	anticoronaviral agent; antineoplastic agent; tyrosine kinase inhibitor
leuprolide	[no description available]	low	0	0	oligopeptide	anti-estrogen; antineoplastic agent; gonadotropin releasing hormone agonist
iFSP1	[no description available]	low	0	0	aromatic amine; nitrile; primary amino compound; pyridobenzimidazole; toluenes	antineoplastic agent; ferroptosis inducer; ferroptosis suppressor protein 1 inhibitor
4-iodo-6-phenylpyrimidine	[no description available]	low	0	0	biaryl; organoiodine compound; pyrimidines	antineoplastic agent; apoptosis inducer; macrophage migration inhibitory factor inhibitor
oncrasin-1	[no description available]	low	0	0	arenecarbaldehyde; indoles; monochlorobenzenes	antineoplastic agent; apoptosis inducer
cct018159	[no description available]	low	0	0	benzodioxine; pyrazoles; resorcinols	antineoplastic agent; apoptosis inducer; Hsp90 inhibitor
xl147	[no description available]	low	0	0	aromatic amine; benzothiadiazole; quinoxaline derivative; sulfonamide	antineoplastic agent; EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor
mcb-613	[no description available]	low	0	0	cyclic ketone; enone; pyridines	antineoplastic agent; steroid receptor coactivator stimulator
stattic	[no description available]	low	0	0	1-benzothiophenes; C-nitro compound; sulfone	antineoplastic agent; radiosensitizing agent; STAT3 inhibitor
krn 7000	[no description available]	low	0	0	glycophytoceramide; N-acyl-beta-D-galactosylphytosphingosine	allergen; antigen; antineoplastic agent; epitope; immunological adjuvant
10058-F4	[no description available]	low	0	0	olefinic compound; thiazolidinone	antineoplastic agent; apoptosis inducer
beauvericin	[no description available]	low	0	0	cyclodepsipeptide	antibiotic insecticide; antifungal agent; antineoplastic agent; apoptosis inhibitor; fungal metabolite; ionophore; mycotoxin; P450 inhibitor
bms 387032	[no description available]	low	0	0	1,3-oxazoles; 1,3-thiazoles; organic sulfide; piperidinecarboxamide; secondary carboxamide	angiogenesis inhibitor; antineoplastic agent; apoptosis inducer; EC 2.7.11.22 (cyclin-dependent kinase) inhibitor
manool	[no description available]	low	0	0	labdane diterpenoid; tertiary alcohol	antibacterial agent; antineoplastic agent; plant metabolite
amrubicin	[no description available]	low	0	0	anthracycline antibiotic; methyl ketone; primary amino compound; quinone; tetracenes	antineoplastic agent; prodrug; topoisomerase II inhibitor
ospemifene	[no description available]	low	0	0	aromatic ether; organochlorine compound; primary alcohol	anti-inflammatory agent; antineoplastic agent; estrogen receptor modulator
tandutinib	[no description available]	low	0	0	aromatic ether; N-arylpiperazine; N-carbamoylpiperazine; phenylureas; piperidines; quinazolines; tertiary amino compound	antineoplastic agent; EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor
bigelovin	[no description available]	low	0	0	acetate ester; cyclic ketone; gamma-lactone; organic heterotricyclic compound; sesquiterpene lactone	antineoplastic agent; apoptosis inducer; immunomodulator; plant metabolite
zd 6474	[no description available]	low	0	0	aromatic ether; organobromine compound; organofluorine compound; piperidines; quinazolines; secondary amine	antineoplastic agent; tyrosine kinase inhibitor
4-benzyl-2-methyl-1,2,4-thiadiazolidine-3,5-dione	[no description available]	low	0	0	benzenes; thiadiazolidine	anti-inflammatory agent; antineoplastic agent; apoptosis inducer; EC 2.7.11.26 (tau-protein kinase) inhibitor; neuroprotective agent
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
herbacetin	[no description available]	low	0	0	7-hydroxyflavonol; pentahydroxyflavone	angiogenesis inhibitor; anti-inflammatory agent; antilipemic drug; antineoplastic agent; apoptosis inducer; EC 3.4.22.69 (SARS coronavirus main proteinase) inhibitor; EC 4.1.1.17 (ornithine decarboxylase) inhibitor; plant metabolite
bryostatin 1	[no description available]	low	0	0	acetate ester; bryostatins; cyclic hemiketal; enoate ester; methyl ester; organic heterotetracyclic compound; secondary alcohol	alpha-secretase activator; anti-HIV-1 agent; antineoplastic agent; marine metabolite; protein kinase C agonist
9-deoxy-9,10-didehydro-12,13-didehydro-13,14-dihydroprostaglandin d2	[no description available]	low	0	0	prostaglandins J; secondary alcohol	antineoplastic agent; antiviral agent
pyrvinium	[no description available]	low	0	0	quinolinium ion	anthelminthic drug; antineoplastic agent
cyclobenzaprine	[no description available]	low	0	0	9,11,13-octadecatrienoic acid	antineoplastic agent; plant metabolite
cucurbitacin i	[no description available]	low	0	0	cucurbitacin; tertiary alpha-hydroxy ketone	antineoplastic agent; plant metabolite
eupatolide	[no description available]	low	0	0	gamma-lactone; germacranolide; homoallylic alcohol; secondary alcohol	antineoplastic agent; plant metabolite
hispidulin	[no description available]	low	0	0	monomethoxyflavone; trihydroxyflavone	anti-inflammatory agent; anticonvulsant; antineoplastic agent; antioxidant; apoptosis inducer; plant metabolite
gartanin	[no description available]	low	0	0	polyphenol; xanthones	antineoplastic agent; plant metabolite
norathyriol	[no description available]	low	0	0	polyphenol; xanthones	antineoplastic agent; EC 2.7.11.13 (protein kinase C) inhibitor; plant metabolite
morusin	[no description available]	low	0	0	extended flavonoid; trihydroxyflavone	antineoplastic agent; plant metabolite
tectochrysin	[no description available]	low	0	0	monohydroxyflavone; monomethoxyflavone	antidiarrhoeal drug; antineoplastic agent; plant metabolite
plaunotol	[no description available]	low	0	0	diterpenoid; primary alcohol	anti-ulcer drug; antibacterial agent; antineoplastic agent; apoptosis inducer; nephroprotective agent; plant metabolite; vulnerary
tocotrienol, beta	[no description available]	low	0	0	tocotrienol; vitamin E	antineoplastic agent; apoptosis inducer; plant metabolite
gamma-tocotrienol	[no description available]	low	0	0	tocotrienol; vitamin E	antineoplastic agent; antioxidant; apoptosis inducer; hepatoprotective agent; plant metabolite; radiation protective agent
tocotrienol, delta	[no description available]	low	0	0	tocotrienol; vitamin E	anti-inflammatory agent; antineoplastic agent; apoptosis inducer; bone density conservation agent; NF-kappaB inhibitor; plant metabolite; radiation protective agent; Saccharomyces cerevisiae metabolite
4'-hydroxychalcone	[no description available]	low	0	0	chalcones; phenols	anti-inflammatory agent; antineoplastic agent
9,11-linoleic acid	[no description available]	low	0	0	octadeca-9,11-dienoic acid	anti-inflammatory agent; antiatherogenic agent; antineoplastic agent; apoptosis inducer; bacterial xenobiotic metabolite; human metabolite
camostat mesylate	[no description available]	low	0	0	methanesulfonate salt	anti-inflammatory agent; anticoronaviral agent; antifibrinolytic drug; antihypertensive agent; antineoplastic agent; antiviral agent; serine protease inhibitor
alvocidib	[no description available]	low	0	0	dihydroxyflavone; hydroxypiperidine; monochlorobenzenes; tertiary amino compound	antineoplastic agent; antirheumatic drug; apoptosis inducer; EC 2.7.11.22 (cyclin-dependent kinase) inhibitor
4-oxoretinol	[no description available]	low	0	0	cyclic ketone; enone; primary allylic alcohol; retinoid	antineoplastic agent
centaureidin	[no description available]	low	0	0	trihydroxyflavone; trimethoxyflavone	antineoplastic agent; cyclooxygenase 1 inhibitor; cyclooxygenase 2 inhibitor; plant metabolite
3,3'-di-o-methylquercetin	[no description available]	low	0	0	3'-methoxyflavones; dimethoxyflavone; trihydroxyflavone	antibacterial agent; antineoplastic agent; apoptosis inducer; plant metabolite
isoginkgetin	[no description available]	low	0	0	aromatic ether; biflavonoid	antineoplastic agent; EC 3.4.24.35 (gelatinase B) inhibitor; plant metabolite
cudraflavone c	[no description available]	low	0	0	tetrahydroxyflavone	antibacterial agent; antineoplastic agent; plant metabolite
neobavaisoflavone	[no description available]	low	0	0	7-hydroxyisoflavones	antineoplastic agent; EC 2.7.7.7 (DNA-directed DNA polymerase) inhibitor; plant metabolite; platelet aggregation inhibitor
neoglycyrol	[no description available]	low	0	0	aromatic ether; coumestans; delta-lactone; polyphenol	antineoplastic agent; plant metabolite
5,7-dihydroxy-6-methoxy-2-phenylchromen-4-one	[no description available]	low	0	0	dihydroxyflavone; monomethoxyflavone	antineoplastic agent; EC 1.14.13.39 (nitric oxide synthase) inhibitor
spiraeoside	[no description available]	low	0	0	beta-D-glucoside; flavonols; monosaccharide derivative; quercetin O-glucoside; tetrahydroxyflavone	antineoplastic agent; antioxidant; plant metabolite
rhamnazin	[no description available]	low	0	0	aromatic ether; dimethoxyflavone; phenols; trihydroxyflavone	antineoplastic agent; plant metabolite
oridonin	[no description available]	medium	0	0	cyclic hemiketal; enone; ent-kaurane diterpenoid; organic heteropentacyclic compound; secondary alcohol	angiogenesis inhibitor; anti-asthmatic agent; antibacterial agent; antineoplastic agent; apoptosis inducer; plant metabolite
pd 166866	[no description available]	low	0	0	biaryl; dimethoxybenzene; primary arylamine; pyridopyrimidine; ureas	angiogenesis inhibitor; antineoplastic agent; apoptosis inducer; EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor
bosutinib	[no description available]	low	0	0	aminoquinoline; aromatic ether; dichlorobenzene; N-methylpiperazine; nitrile; tertiary amino compound	antineoplastic agent; tyrosine kinase inhibitor
su 11248	[no description available]	low	0	0	monocarboxylic acid amide; pyrroles	angiogenesis inhibitor; antineoplastic agent; EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor; immunomodulator; neuroprotective agent; vascular endothelial growth factor receptor antagonist
palbociclib	[no description available]	low	0	0	aminopyridine; aromatic ketone; cyclopentanes; piperidines; pyridopyrimidine; secondary amino compound; tertiary amino compound	antineoplastic agent; EC 2.7.11.22 (cyclin-dependent kinase) inhibitor
mitoguazone	[no description available]	low	0	0	guanidines; hydrazone	antineoplastic agent; apoptosis inducer; EC 4.1.1.50 (adenosylmethionine decarboxylase) inhibitor
reumycin	[no description available]	low	0	0	carbonyl compound; pyrimidotriazine	antimicrobial agent; antineoplastic agent; bacterial metabolite
ermanin	[no description available]	low	0	0	dihydroxyflavone; dimethoxyflavone	anti-inflammatory agent; antimycobacterial drug; antineoplastic agent; apoptosis inducer; plant metabolite
romidepsin	[no description available]	low	0	0	cyclodepsipeptide; heterocyclic antibiotic; organic disulfide	antineoplastic agent; EC 3.5.1.98 (histone deacetylase) inhibitor
sulindac sulfide	[no description available]	low	0	0	aryl sulfide; monocarboxylic acid; organofluorine compound	antineoplastic agent; apoptosis inducer; non-steroidal anti-inflammatory drug
tamsulosin hydrochloride	[no description available]	low	0	0	hydrochloride	alpha-adrenergic antagonist; antineoplastic agent
batimastat	[no description available]	low	0	0	hydroxamic acid; L-phenylalanine derivative; organic sulfide; secondary carboxamide; thiophenes; triamide	angiogenesis inhibitor; antineoplastic agent; matrix metalloproteinase inhibitor
glyceryl behenate	[no description available]	low	0	0	1-monoglyceride; fatty acid ester	antineoplastic agent; plant metabolite
pederin	[no description available]	low	0	0	cyclic ketal; diol; oxanes; polyketide; secondary alcohol; secondary carboxamide	antimitotic; antineoplastic agent; bacterial metabolite; vesicant
cisplatin	[no description available]	low	0	0	diamminedichloroplatinum	antineoplastic agent; apoptosis inducer; cross-linking reagent; ferroptosis inducer; genotoxin; mutagen; nephrotoxin; photosensitizing agent
beta-aminopropionitrile fumarate (2:1)	[no description available]	low	0	0	fumarate salt	antineoplastic agent; antirheumatic drug; collagen cross-linking inhibitor; plant metabolite
gamma-mangostin	[no description available]	low	0	0	phenols; xanthones	antineoplastic agent; plant metabolite; protein kinase inhibitor
cystothiazole a	[no description available]	low	0	0	1,3-thiazoles; biaryl; enoate ester; enol ether; methyl ester; organonitrogen heterocyclic antibiotic	antifungal agent; antineoplastic agent; bacterial metabolite
lespenefril	[no description available]	low	0	0	alpha-L-rhamnoside; dihydroxyflavone; glycosyloxyflavone; monosaccharide derivative; polyphenol	anti-inflammatory agent; antidepressant; antineoplastic agent; apoptosis inducer; bone density conservation agent; hypoglycemic agent; immunomodulator; plant metabolite
baohuoside i	[no description available]	low	0	0	glycosyloxyflavone	anti-inflammatory agent; antineoplastic agent; apoptosis inducer; plant metabolite
3-(3-pyridinyl)-1-(4-pyridinyl)-2-propen-1-one	[no description available]	low	0	0	enone; pyridines	angiogenesis inhibitor; antineoplastic agent; apoptosis inducer; autophagy inducer; EC 2.7.1.105 (6-phosphofructo-2-kinase) inhibitor
ma-1	[no description available]	low	0	0	carboxamidine; organochlorine compound; pyrimidone; pyrrolidines	antineoplastic agent; EC 2.4.2.4 (thymidine phosphorylase) inhibitor
coronardine	[no description available]	medium	0	0	alkaloid ester; methyl ester; monoterpenoid indole alkaloid; organic heteropentacyclic compound	antileishmanial agent; antineoplastic agent; apoptosis inducer; plant metabolite
ascofuranone	[no description available]	low	0	0	dihydroxybenzaldehyde; meroterpenoid; monochlorobenzenes; olefinic compound; resorcinols; sesquiterpenoid; tetrahydrofuranone	angiogenesis inhibitor; antilipemic drug; antineoplastic agent; antiprotozoal drug; fungal metabolite
columbianadin	[no description available]	low	0	0	alpha,beta-unsaturated carboxylic ester; furanocoumarin	anti-inflammatory agent; antineoplastic agent; apoptosis inducer; hepatoprotective agent; plant metabolite; rat metabolite
germacrone	[no description available]	low	0	0	germacrane sesquiterpenoid; olefinic compound	androgen antagonist; anti-inflammatory agent; antifeedant; antifungal agent; antimicrobial agent; antineoplastic agent; antioxidant; antitussive; antiviral agent; apoptosis inducer; autophagy inducer; hepatoprotective agent; insecticide; neuroprotective agent; plant metabolite; volatile oil component
sibiromycin	[no description available]	low	0	0	aminoglycoside antibiotic; hemiaminal; phenols; pyrrolobenzodiazepine	antineoplastic agent; bacterial metabolite
bryostatin 2	[no description available]	low	0	0	bryostatins; cyclic hemiketal; enoate ester; methyl ester; organic heterotetracyclic compound; secondary alcohol	antineoplastic agent; marine metabolite; protein kinase C agonist
manumycin	[no description available]	low	0	0	enamide; epoxide; organic heterobicyclic compound; polyketide; secondary carboxamide; tertiary alcohol	antiatherosclerotic agent; antimicrobial agent; antineoplastic agent; apoptosis inducer; bacterial metabolite; EC 1.8.1.9 (thioredoxin reductase) inhibitor; EC 2.5.1.58 (protein farnesyltransferase) inhibitor; marine metabolite
asukamycin	[no description available]	low	0	0	enamide; epoxide; organic heterobicyclic compound; polyketide; secondary carboxamide; tertiary alcohol	antibacterial agent; antifungal agent; antimicrobial agent; antineoplastic agent; bacterial metabolite
13(S)-HODE	[no description available]	low	0	0	HODE	antineoplastic agent; human xenobiotic metabolite; mouse metabolite
ixabepilone	[no description available]	low	0	0	1,3-thiazoles; beta-hydroxy ketone; epoxide; lactam; macrocycle	antineoplastic agent; microtubule-destabilising agent
axitinib	[no description available]	low	0	0	aryl sulfide; benzamides; indazoles; pyridines	antineoplastic agent; tyrosine kinase inhibitor; vascular endothelial growth factor receptor antagonist
salvianolic acid B	[no description available]	low	0	0	1-benzofurans; catechols; dicarboxylic acid; enoate ester; polyphenol	anti-inflammatory agent; antidepressant; antineoplastic agent; antioxidant; apoptosis inducer; autophagy inhibitor; cardioprotective agent; hepatoprotective agent; hypoglycemic agent; neuroprotective agent; osteogenesis regulator; plant metabolite
l 744832	[no description available]	low	0	0	benzenes; ether; isopropyl ester; secondary carboxamide; sulfone; thiol	antineoplastic agent; EC 2.5.1.58 (protein farnesyltransferase) inhibitor; geroprotector
manzamine a	[no description available]	low	0	0	alkaloid; beta-carbolines; isoquinolines	animal metabolite; anti-HSV-1 agent; antimalarial; antineoplastic agent; EC 2.7.11.26 (tau-protein kinase) inhibitor; marine metabolite
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
fostriecin	[no description available]	low	0	0	2-pyranones; olefinic compound; phosphate monoester; polyketide; primary allylic alcohol; secondary allylic alcohol; triol	antineoplastic agent; apoptosis inhibitor; bacterial metabolite; EC 3.1.3.16 (phosphoprotein phosphatase) inhibitor; topoisomerase II inhibitor
ru 58668	[no description available]	low	0	0	17beta-hydroxy steroid; 3-hydroxy steroid; aromatic ether; organofluorine compound; sulfone	anti-estrogen; antineoplastic agent; estrogen receptor antagonist
soblidotin	[no description available]	low	0	0	tetrapeptide	antineoplastic agent; apoptosis inducer; microtubule-destabilising agent
beta-elemene	[no description available]	low	0	0	beta-elemene	antineoplastic agent
laulimalide	[no description available]	low	0	0	carboxylic ester; epoxide; macrolide; secondary alcohol; secondary allylic alcohol	animal metabolite; antimitotic; antineoplastic agent; marine metabolite; microtubule-stabilising agent
jwh-133	[no description available]	low	0	0	benzochromene; dibenzopyran; organic heterotricyclic compound	analgesic; anti-inflammatory agent; antineoplastic agent; apoptosis inhibitor; CB2 receptor agonist; opioid analgesic; vasodilator agent
belinostat	[no description available]	low	0	0	hydroxamic acid; olefinic compound; sulfonamide	antineoplastic agent; EC 3.5.1.98 (histone deacetylase) inhibitor
on 01910	[no description available]	low	0	0	N-[2-methoxy-5-({[2-(2,4,6-trimethoxyphenyl)ethenyl]sulfonyl}methyl)phenyl]glycine	antineoplastic agent; apoptosis inducer; EC 2.7.11.21 (polo kinase) inhibitor; microtubule-destabilising agent
panobinostat	[no description available]	low	0	0	cinnamamides; hydroxamic acid; methylindole; secondary amino compound	angiogenesis modulating agent; antineoplastic agent; EC 3.5.1.98 (histone deacetylase) inhibitor
bml 210	[no description available]	low	0	0	dicarboxylic acid diamide	antineoplastic agent; EC 3.5.1.98 (histone deacetylase) inhibitor
rhosin	[no description available]	low	0	0	D-tryptophan derivative; hydrazone; quinoxaline derivative	antineoplastic agent; RhoA inhibitor; RhoC inhibitor
2-hydroxy-9-cis-octadecenoic acid	[no description available]	low	0	0	2-hydroxy fatty acid; hydroxy monounsaturated fatty acid; long-chain fatty acid	antihypertensive agent; antineoplastic agent; apoptosis inducer
dolastatin 10	[no description available]	low	0	0	1,3-thiazoles; tetrapeptide	animal metabolite; antineoplastic agent; apoptosis inducer; marine metabolite; microtubule-destabilising agent
plitidepsin	[no description available]	low	0	0	didemnin	anticoronaviral agent; antineoplastic agent; marine metabolite
abiraterone acetate	[no description available]	low	0	0	pyridines; sterol ester	antineoplastic agent; EC 1.14.99.9 (steroid 17alpha-monooxygenase) inhibitor; prodrug
lenvatinib	[no description available]	low	0	0	aromatic amide; aromatic ether; cyclopropanes; monocarboxylic acid amide; monochlorobenzenes; phenylureas; quinolines	antineoplastic agent; EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor; fibroblast growth factor receptor antagonist; orphan drug; vascular endothelial growth factor receptor antagonist
nsc 716970	[no description available]	low	0	0	aromatic amine; aromatic ether; indolecarboxamide; organochlorine compound	antineoplastic agent
midostaurin	[no description available]	low	0	0	benzamides; gamma-lactam; indolocarbazole; organic heterooctacyclic compound	antineoplastic agent; EC 2.7.11.13 (protein kinase C) inhibitor
jasplakinolide	[no description available]	low	0	0	cyclodepsipeptide; phenols	actin polymerisation inducer; animal metabolite; antifungal agent; antineoplastic agent; apoptosis inducer; marine metabolite; neuroprotective agent
muromonab-cd3	[no description available]	medium	0	0	alkaloid; macrocycle; organic heteropentacyclic compound; organonitrogen heterocyclic compound; oxacycle; tertiary amino compound	antineoplastic agent; EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor; IP3 receptor antagonist; marine metabolite
ginsenoside m1	[no description available]	low	0	0	12beta-hydroxy steroid; 3beta-hydroxy-4,4-dimethylsteroid; 3beta-hydroxy steroid; beta-D-glucoside; ginsenoside; tetracyclic triterpenoid	anti-allergic agent; anti-inflammatory agent; antineoplastic agent; hepatoprotective agent; plant metabolite
cabazitaxel	[no description available]	low	0	0	tetracyclic diterpenoid	antineoplastic agent; microtubule-stabilising agent
elisidepsin	[no description available]	low	0	0	cyclodepsipeptide	antineoplastic agent
tln 4601	[no description available]	low	0	0	dibenzodiazepine; farnesane sesquiterpenoid; olefinic compound; secondary amine; triol	antineoplastic agent; antioxidant; cathepsin L (EC 3.4.22.15) 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
tmc-95a	[no description available]	low	0	0	indoles; lactam; macrocycle; phenols; secondary alcohol; tertiary alcohol	antimicrobial agent; antineoplastic agent; bacterial metabolite; fungal metabolite; proteasome inhibitor
cp 724714	[no description available]	low	0	0	2-methoxy-N-[3-[4-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]anilino]-6-quinazolinyl]prop-2-enyl]acetamide	antineoplastic agent; apoptosis inducer; EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor; hepatotoxic agent
topopyrone c	[no description available]	low	0	0	naphthochromene; p-quinones; phenols	antimicrobial agent; antineoplastic agent; antiviral agent; EC 5.99.1.2 (DNA topoisomerase) inhibitor; Penicillium metabolite
pi103	[no description available]	low	0	0	aromatic amine; morpholines; organic heterotricyclic compound; phenols; tertiary amino compound	antineoplastic agent; EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor; mTOR inhibitor
5-chloro-6-(1-(2-iminopyrrolidinyl) methyl)uracil hydrochloride	[no description available]	low	0	0	hydrochloride; iminium salt	antineoplastic agent; EC 2.4.2.4 (thymidine phosphorylase) inhibitor
fty 720p	[no description available]	low	0	0	monoalkyl phosphate; primary alcohol; primary amino compound	antineoplastic agent; immunosuppressive agent; sphingosine-1-phosphate receptor agonist
hmr 1275	[no description available]	low	0	0	hydrochloride	antineoplastic agent; antirheumatic drug; apoptosis inducer; EC 2.7.11.22 (cyclin-dependent kinase) inhibitor
zm 447439	[no description available]	low	0	0	aromatic ether; benzamides; morpholines; polyether; quinazolines; secondary amino compound; tertiary amino compound	antineoplastic agent; apoptosis inducer; Aurora kinase inhibitor
ginsenoside f2	[no description available]	low	0	0	12beta-hydroxy steroid; beta-D-glucoside; ginsenoside; tetracyclic triterpenoid	antineoplastic agent; apoptosis inducer; plant metabolite
es-285	[no description available]	low	0	0	amino alcohol; sphingoid	antineoplastic agent
nidulalin a	[no description available]	low	0	0	methyl ester; phenols; xanthones	antimicrobial agent; antineoplastic agent; Penicillium metabolite
hypothemycin	[no description available]	low	0	0	aromatic ether; diol; enone; epoxide; macrolide; phenols; polyketide; secondary alpha-hydroxy ketone	antifungal agent; antineoplastic agent; EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor; fungal metabolite
rucaparib	[no description available]	low	0	0	azepinoindole; caprolactams; organofluorine compound; secondary amino compound	antineoplastic agent; EC 2.4.2.30 (NAD(+) ADP-ribosyltransferase) inhibitor
jte 607	[no description available]	low	0	0	hydrochloride	anti-inflammatory agent; antineoplastic agent; apoptosis inducer; cardioprotective agent; CPSF3 inhibitor; prodrug
pasireotide	[no description available]	low	0	0	homodetic cyclic peptide; peptide hormone	antineoplastic agent
npi 2358	[no description available]	low	0	0	2,5-diketopiperazines; benzenes; imidazoles; olefinic compound	angiogenesis inhibitor; antineoplastic agent; apoptosis inducer; microtubule-destabilising agent
NNC 55-0396 (free base)	[no description available]	low	0	0	benzimidazoles; cyclopropanecarboxylate ester; organofluorine compound; tertiary amino compound; tetralins	angiogenesis inhibitor; antineoplastic agent; apoptosis inducer; neuroprotective agent; potassium channel blocker; T-type calcium channel blocker
sr 11302	[no description available]	low	0	0	alpha,beta-unsaturated monocarboxylic acid; retinoid; toluenes	antineoplastic agent; AP-1 antagonist
sch 51344	[no description available]	low	0	0	aromatic amine; aromatic ether; primary alcohol; pyrazoloquinoline; secondary amino compound	antineoplastic agent
4alpha-methylergosta-8,24(28)-dien-3,7,11-trione-26-oic acid	[no description available]	low	0	0	11-oxo steroid; 3-oxo steroid; 7-oxo steroid; ergostanoid; monocarboxylic acid; steroid acid	anti-inflammatory agent; antineoplastic agent; plant metabolite
osu 03012	[no description available]	low	0	0	antibiotic antifungal drug; aromatic amide; glycine derivative; organofluorine compound; phenanthrenes; pyrazoles	antineoplastic agent; apoptosis inducer; EC 2.7.11.1 (non-specific serine/threonine 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
pateamine a	[no description available]	low	0	0	1,3-thiazoles; macrodiolide; olefinic compound; primary amino compound; tertiary amino compound	antineoplastic agent; antiviral agent; eukaryotic initiation factor 4F inhibitor; marine metabolite
6-hydroxytaxol	[no description available]	low	0	0	taxane diterpenoid; tetracyclic diterpenoid	antineoplastic agent
masitinib	[no description available]	low	0	0	1,3-thiazoles; benzamides; N-alkylpiperazine; pyridines	antineoplastic agent; antirheumatic drug; tyrosine kinase inhibitor
avenanthramide b	[no description available]	low	0	0	amidobenzoic acid; cinnamamides; monohydroxybenzoic acid; monomethoxybenzene; phenols; secondary carboxamide	antineoplastic agent; apoptosis inducer; phytoalexin
ly-2157299	[no description available]	low	0	0	aromatic amide; methylpyridines; monocarboxylic acid amide; pyrrolopyrazole; quinolines	antineoplastic agent; TGFbeta receptor antagonist
azd 6244	[no description available]	low	0	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
azd2858	[no description available]	low	0	0	aromatic amine; N-methylpiperazine; pyrazines; pyridines; secondary carboxamide; sulfonamide	antineoplastic agent; bone density conservation agent; EC 2.7.11.26 (tau-protein kinase) inhibitor; Wnt signalling activator
bibw 2992	[no description available]	low	0	0	aromatic ether; enamide; furans; monochlorobenzenes; organofluorine compound; quinazolines; secondary carboxamide; tertiary amino compound	antineoplastic agent; tyrosine kinase inhibitor
bl1521	[no description available]	low	0	0	enamide; hydroxamic acid; monocarboxylic acid amide	antineoplastic agent; apoptosis inducer; EC 3.5.1.98 (histone deacetylase) inhibitor
jte 013	[no description available]	low	0	0	chloropyridine; pyrazolopyridine	anti-asthmatic agent; anti-inflammatory agent; antineoplastic agent; osteogenesis regulator; pro-angiogenic agent; sphingosine-1-phosphate receptor 2 antagonist
holomycin	[no description available]	low	0	0	acetamides; dithiolopyrrolone antibiotic	antibacterial agent; antineoplastic agent; bacterial metabolite; chelator; EC 2.7.7.6 (RNA polymerase) inhibitor; marine metabolite
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
aee 788	[no description available]	low	0	0	6-{4-[(4-ethylpiperazin-1-yl)methyl]phenyl}-N-(1-phenylethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine	angiogenesis inhibitor; antineoplastic agent; apoptosis inducer; EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor; epidermal growth factor receptor antagonist; trypanocidal drug
saracatinib	[no description available]	low	0	0	aromatic ether; benzodioxoles; diether; N-methylpiperazine; organochlorine compound; oxanes; quinazolines; secondary amino compound	anticoronaviral agent; antineoplastic agent; apoptosis inducer; autophagy inducer; EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor; radiosensitizing agent
crenolanib	[no description available]	low	0	0	aminopiperidine; aromatic ether; benzimidazoles; oxetanes; quinolines; tertiary amino compound	angiogenesis inhibitor; antineoplastic agent; apoptosis inducer; EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor
trilobacin	[no description available]	low	0	0	butenolide; polyketide; triol	antineoplastic agent; plant metabolite
pha 665752	[no description available]	low	0	0	dichlorobenzene; enamide; indolones; N-acylpyrrolidine; pyrrolecarboxamide; secondary carboxamide; sulfone; tertiary carboxamide	antineoplastic agent; c-Met tyrosine kinase inhibitor
PB28	[no description available]	low	0	0	aromatic ether; piperazines; tetralins	anticoronaviral agent; antineoplastic agent; apoptosis inducer; sigma-2 receptor agonist
tmc-95b	[no description available]	low	0	0	indoles; lactam; macrocycle; phenols; secondary alcohol; tertiary alcohol	antimicrobial agent; antineoplastic agent; fungal metabolite; proteasome inhibitor
fr 901464	[no description available]	low	0	0	acetate ester; cyclic hemiketal; monocarboxylic acid amide; pyrans; spiro-epoxide	antimicrobial agent; antineoplastic agent; bacterial metabolite
vinflunine	[no description available]	medium	0	0	acetate ester; methyl ester; organic heteropentacyclic compound; organic heterotetracyclic compound; semisynthetic derivative; vinca alkaloid	antineoplastic agent
homocamptothecin	[no description available]	medium	0	0	epsilon-lactone; organic heteropentacyclic compound; organonitrogen heterocyclic compound; tertiary alcohol	antineoplastic agent; EC 5.99.1.2 (DNA topoisomerase) inhibitor
jaspamide b	[no description available]	low	0	0	cyclodepsipeptide; organobromine compound	animal metabolite; antineoplastic agent; marine metabolite
ossamycin	[no description available]	low	0	0	cyclic hemiketal; macrolide antibiotic; organic heterotetracyclic compound; secondary alcohol; spiroketal; tertiary alcohol	antineoplastic agent; bacterial metabolite
azadirone	[no description available]	low	0	0	acetate ester; cyclic terpene ketone; furans; limonoid; tetracyclic triterpenoid	antineoplastic agent; antiplasmodial drug; plant metabolite
iejimalide b	[no description available]	low	0	0	ether; formamides; macrolide	antineoplastic agent; marine metabolite
cembra-2,7,11-triene-4,6-diol	[no description available]	low	0	0	cembrane diterpenoid	antineoplastic agent
regorafenib	[no description available]	low	0	0	(trifluoromethyl)benzenes; aromatic ether; monochlorobenzenes; monofluorobenzenes; phenylureas; pyridinecarboxamide	antineoplastic agent; hepatotoxic agent; tyrosine kinase inhibitor
at 7867	[no description available]	low	0	0	monochlorobenzenes; piperidines; pyrazoles	antineoplastic agent; EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor
ym 155	[no description available]	low	0	0	organic bromide salt	antineoplastic agent; apoptosis inducer; survivin suppressant
erastin	[no description available]	low	0	0	aromatic ether; diether; monochlorobenzenes; N-acylpiperazine; N-alkylpiperazine; quinazolines; tertiary carboxamide	antineoplastic agent; ferroptosis inducer; voltage-dependent anion channel inhibitor
brivanib	[no description available]	low	0	0	aromatic ether; diether; fluoroindole; pyrrolotriazine; secondary alcohol	angiogenesis inhibitor; antineoplastic agent; apoptosis inducer; drug metabolite; EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor; fibroblast growth factor receptor antagonist
rx-3117	[no description available]	low	0	0	organofluorine compound; primary allylic alcohol; triol	antimetabolite; antineoplastic agent; apoptosis inducer; DNA synthesis inhibitor; prodrug
ascochlorin	[no description available]	low	0	0	cyclohexanones; dihydroxybenzaldehyde; meroterpenoid; monochlorobenzenes; olefinic compound; resorcinols; sesquiterpenoid	angiogenesis inhibitor; antifungal agent; antineoplastic agent; antiprotozoal drug; fungal metabolite
N(2)-([biphenyl]-4-ylsulfonyl)-N-hydroxy-N(2)-isopropoxy-D-valinamide	[no description available]	low	0	0	D-valine derivative; hydroxamic acid	antineoplastic agent; autophagy inducer; EC 3.4.24.24 (gelatinase A) inhibitor; melanin synthesis inhibitor
at 7519	[no description available]	low	0	0	dichlorobenzene; piperidines; pyrazoles; secondary carboxamide	antineoplastic agent; EC 2.7.11.22 (cyclin-dependent kinase) inhibitor
ym 216391	[no description available]	low	0	0	1,3-oxazoles; 1,3-thiazoles; azamacrocycle; benzenes; heterodetic cyclic peptide	antineoplastic agent; bacterial metabolite
marizomib	[no description available]	low	0	0	beta-lactone; gamma-lactam; organic heterobicyclic compound; organochlorine compound; salinosporamide	antineoplastic agent; proteasome inhibitor
er-086526	[no description available]	low	0	0	cyclic ketal; cyclic ketone; macrocycle; polycyclic ether; polyether; primary amino compound	antineoplastic agent; microtubule-destabilising agent
obolactone	[no description available]	low	0	0	2-pyranones; 4-pyranones	antineoplastic agent; plant metabolite
abt 869	[no description available]	low	0	0	aromatic amine; indazoles; phenylureas	angiogenesis inhibitor; antineoplastic agent; EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor
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
ki11502	[no description available]	low	0	0	aromatic ether; benzamides; quinolines; thioureas	antineoplastic agent; apoptosis inducer; EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor
carfilzomib	[no description available]	low	0	0	epoxide; morpholines; tetrapeptide	antineoplastic agent; proteasome inhibitor
3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-[1-(piperidin-4-yl)pyrazol-4-yl]pyridin-2-amine	[no description available]	low	0	0	aminopyridine; aromatic ether; dichlorobenzene; organofluorine compound; pyrazolylpiperidine; racemate	antineoplastic agent; biomarker; EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor
idelalisib	[no description available]	low	0	0	aromatic amine; organofluorine compound; purines; quinazolines; secondary amino compound	antineoplastic agent; apoptosis inducer; EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor
crizotinib	[no description available]	low	0	0	3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-[1-(piperidin-4-yl)pyrazol-4-yl]pyridin-2-amine	antineoplastic agent; biomarker; EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor
zstk474	[no description available]	low	0	0	benzimidazoles; morpholines; organofluorine compound; triamino-1,3,5-triazine	antineoplastic agent; EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor
trametinib	[no description available]	low	0	0	acetamides; aromatic amine; cyclopropanes; organofluorine compound; organoiodine compound; pyridopyrimidine; ring assembly	anticoronaviral agent; antineoplastic agent; EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor; geroprotector
GDC-0879	[no description available]	low	0	0	indanes; ketoxime; primary alcohol; pyrazoles; pyridines	antineoplastic agent; B-Raf inhibitor
physalin b	[no description available]	low	0	0	enone; lactone; organic heteroheptacyclic compound; physalin	antimalarial; antimicrobial agent; antineoplastic agent
amrubicinol	[no description available]	low	0	0	diastereoisomeric mixture; quinone; secondary alcohol; tetracenes	antineoplastic agent; apoptosis inducer; topoisomerase II inhibitor
at 13387	[no description available]	low	0	0	benzamides; isoindoles; N-alkylpiperazine; resorcinols; tertiary carboxamide	antineoplastic agent; Hsp90 inhibitor
bgt226	[no description available]	low	0	0	aromatic ether; imidazoquinoline; N-arylpiperazine; organofluorine compound; pyridines	antineoplastic agent; EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor; mTOR inhibitor
gedunin	[no description available]	medium	0	0	acetate ester; enone; epoxide; furans; lactone; limonoid; organic heteropentacyclic compound; pentacyclic triterpenoid	antimalarial; antineoplastic agent; Hsp90 inhibitor; plant metabolite
monascorubrin	[no description available]	low	0	0	azaphilone; enone; gamma-lactone; polyketide; triketone	anti-inflammatory agent; antineoplastic agent; biological pigment; food colouring; fungal metabolite; Hsp90 inhibitor
5,7-dihydroxy-2-methyl-8-(4-(3-hydroxy-1-methyl)-piperidinyl)-4h-1-benzopyran-4-one	[no description available]	low	0	0	alkaloid; chromones; hydroxypiperidine; resorcinols; tertiary amino compound	anti-inflammatory agent; anti-ulcer drug; anticholesteremic drug; antileishmanial agent; antineoplastic agent; EC 2.7.11.22 (cyclin-dependent kinase) inhibitor; fungal metabolite; plant metabolite
SYC-435	[no description available]	low	0	0	benzenes; cyclic hydroxamic acid; pyridone	antineoplastic agent; EC 1.1.1.42 (isocitrate dehydrogenase) inhibitor
ligstroside	[no description available]	low	0	0	beta-D-glucoside; diester; methyl ester; phenols; pyrans; secoiridoid glycoside	antineoplastic agent; plant metabolite
mogrol	[no description available]	low	0	0	hydroxy seco-steroid; tetracyclic triterpenoid	antineoplastic agent
4-methyl-5-pentylbenzene-1,3-diol	[no description available]	low	0	0	resorcinols	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
adonixanthin	[no description available]	low	0	0	carotenone; cyclic ketone; secondary alcohol	algal metabolite; animal metabolite; antineoplastic agent; bacterial metabolite; marine metabolite; plant metabolite
abarelix	[no description available]	low	0	0	polypeptide	antineoplastic agent; hormone antagonist
forapin	[no description available]	low	0	0	peptidyl amide; polypeptide	animal metabolite; antineoplastic agent; apoptosis inducer; EC 2.7.11.13 (protein kinase C) inhibitor; hepatoprotective agent; neuroprotective agent; venom
gastrin 17	[no description available]	low	0	0	gastrin	antineoplastic agent
gdc-0973	[no description available]	low	0	0	aromatic amine; difluorobenzene; N-acylazetidine; organoiodine compound; piperidines; secondary amino compound; tertiary alcohol	antineoplastic agent; EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor
buparlisib	[no description available]	low	0	0	aminopyridine; aminopyrimidine; morpholines; organofluorine compound	antineoplastic agent; EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor
tubocapsanolide a	[no description available]	low	0	0	4-hydroxy steroid; delta-lactone; enone; epoxy steroid; ergostanoid; secondary alcohol; withanolide	antineoplastic agent; NF-kappaB inhibitor
ro5126766	[no description available]	low	0	0	aryloxypyrimidine; coumarins; organofluorine compound; pyridines; sulfamides	antineoplastic agent; EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor
pevonedistat	[no description available]	low	0	0	cyclopentanols; indanes; pyrrolopyrimidine; secondary amino compound; sulfamidate	antineoplastic agent; apoptosis inducer
tg101209	[no description available]	low	0	0	N-alkylpiperazine; N-arylpiperazine; pyrimidines; secondary amino compound; sulfonamide	antineoplastic agent; apoptosis inducer; EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor
gsk690693	[no description available]	low	0	0	1,2,5-oxadiazole; acetylenic compound; aromatic amine; aromatic ether; imidazopyridine; piperidines; primary amino compound; tertiary alcohol	antineoplastic agent; EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor
cnf 2024	[no description available]	low	0	0	2-aminopurines; aromatic ether; organochlorine compound; pyridines	antineoplastic agent; Hsp90 inhibitor
ku 0063794	[no description available]	low	0	0	benzyl alcohols; monomethoxybenzene; morpholines; pyridopyrimidine; tertiary amino compound	antineoplastic agent; mTOR inhibitor
sm 164	[no description available]	low	0	0	benzenes; organic heterobicyclic compound; secondary carboxamide; triazoles	antineoplastic agent; apoptosis inducer; radiosensitizing agent
berkeleydione	[no description available]	low	0	0	beta-diketone; cyclic terpene ketone; meroterpenoid; methyl ester; organic heterotetracyclic compound; terpene lactone; tertiary alcohol; tertiary alpha-hydroxy ketone	antineoplastic agent; cysteine protease inhibitor; Penicillium metabolite
nnc 55-0396	[no description available]	low	0	0	hydrochloride	angiogenesis inhibitor; antineoplastic agent; apoptosis inducer; neuroprotective agent; potassium channel blocker; T-type calcium channel blocker
meclofenamate sodium anhydrous	[no description available]	low	0	0	hydrate	analgesic; anticonvulsant; antineoplastic agent; antipyretic; antirheumatic drug; EC 1.13.11.34 (arachidonate 5-lipoxygenase) inhibitor; EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor; non-steroidal anti-inflammatory drug
brequinar sodium	[no description available]	low	0	0	organic sodium salt	anticoronaviral agent; antimetabolite; antineoplastic agent; antiviral agent; EC 1.3.5.2 [dihydroorotate dehydrogenase (quinone)] inhibitor; immunosuppressive agent; pyrimidine synthesis inhibitor
borrelidin	[no description available]	low	0	0	aliphatic nitrile; diol; macrolide; monocarboxylic acid; secondary alcohol	antifungal agent; antimalarial; antimicrobial agent; antineoplastic agent; apoptosis inducer; bacterial metabolite
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
plx 4720	[no description available]	low	0	0	aromatic ketone; difluorobenzene; organochlorine compound; pyrrolopyridine; sulfonamide	antineoplastic agent; B-Raf inhibitor
lcl161	[no description available]	low	0	0	1,3-thiazoles; aromatic ketone; L-alanine derivative; monofluorobenzenes; N-acylpyrrolidine	antineoplastic agent; apoptosis inducer
aspergillide b	[no description available]	low	0	0	bridged compound; cyclic ether; macrolide; secondary alcohol	antineoplastic agent; Aspergillus metabolite
tenovin-6	[no description available]	low	0	0	monocarboxylic acid amide; tertiary amino compound; thioureas	antineoplastic agent; p53 activator; Sir2 inhibitor
lde225	[no description available]	low	0	0	aminopyridine; aromatic ether; benzamides; biphenyls; morpholines; organofluorine compound; tertiary amino compound	antineoplastic agent; Hedgehog signaling pathway inhibitor; SMO receptor antagonist
gdc 0449	[no description available]	low	0	0	benzamides; monochlorobenzenes; pyridines; sulfone	antineoplastic agent; Hedgehog signaling pathway inhibitor; SMO receptor antagonist; teratogenic agent
bms 754807	[no description available]	low	0	0	pyrazoles; pyridines; pyrrolidines; pyrrolotriazine	antineoplastic agent; EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor
marinopyrrole a	[no description available]	low	0	0	aromatic ketone; organochlorine compound; phenols; pyrroles	antibacterial agent; antimicrobial agent; antineoplastic agent; bacterial metabolite; marine metabolite
delanzomib	[no description available]	low	0	0	C-terminal boronic acid peptide; phenylpyridine; secondary alcohol; threonine derivative	antineoplastic agent; apoptosis inducer; proteasome inhibitor
pci 32765	[no description available]	low	0	0	acrylamides; aromatic amine; aromatic ether; N-acylpiperidine; pyrazolopyrimidine; tertiary carboxamide	antineoplastic agent; EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor
ponatinib	[no description available]	low	0	0	(trifluoromethyl)benzenes; acetylenic compound; benzamides; imidazopyridazine; N-methylpiperazine	antineoplastic agent; tyrosine kinase inhibitor
spiruchostatin b	[no description available]	low	0	0	macrocyclic lactone; organic disulfide; organic heterobicyclic compound; spiruchostatin	antineoplastic agent; bacterial metabolite; EC 3.5.1.98 (histone deacetylase) inhibitor
AMG-208	[no description available]	low	0	0	aromatic ether; quinolines; triazolopyridazine	antineoplastic agent; c-Met tyrosine kinase inhibitor
sch772984	[no description available]	low	0	0	biaryl; indazoles; N-acylpiperazine; N-alkylpyrrolidine; N-arylpiperazine; pyridines; pyrimidines; pyrrolidinecarboxamide; secondary carboxamide; tertiary amino compound; tertiary carboxamide	analgesic; antineoplastic agent; apoptosis inducer; EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor
papuamide b	[no description available]	low	0	0	cyclodepsipeptide; olefinic compound; secondary alcohol; tertiary alcohol	anti-HIV-1 agent; antineoplastic agent; marine metabolite
antroquinonol d	[no description available]	low	0	0	enol ether; enone; secondary alcohol	antineoplastic agent; fungal metabolite
quizartinib	[no description available]	low	0	0	benzoimidazothiazole; isoxazoles; morpholines; phenylureas	antineoplastic agent; EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor; necroptosis inhibitor
6-methoxyspirotryprostatin b	[no description available]	low	0	0	aromatic ether; azaspiro compound; indole alkaloid; indolones	antineoplastic agent; Aspergillus metabolite
PP121	[no description available]	low	0	0	aromatic amine; cyclopentanes; pyrazolopyrimidine; pyrrolopyridine	antineoplastic agent; EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor; tyrosine kinase inhibitor
niraparib	[no description available]	low	0	0	benzenes; indazoles; piperidines; primary carboxamide	antineoplastic agent; EC 2.4.2.30 (NAD(+) ADP-ribosyltransferase) inhibitor
niraparib	[no description available]	low	0	0	2-[4-(piperidin-3-yl)phenyl]-2H-indazole-7-carboxamide	antineoplastic agent; apoptosis inducer; EC 2.4.2.30 (NAD(+) ADP-ribosyltransferase) inhibitor; radiosensitizing agent
navitoclax	[no description available]	low	0	0	aryl sulfide; monochlorobenzenes; morpholines; N-sulfonylcarboxamide; organofluorine compound; piperazines; secondary amino compound; sulfone; tertiary amino compound	antineoplastic agent; apoptosis inducer; B-cell lymphoma 2 inhibitor
lucitanib	[no description available]	low	0	0	aromatic ether; cyclopropanes; naphthalenecarboxamide; primary amino compound; quinolines	antineoplastic agent; fibroblast growth factor receptor antagonist; vascular endothelial growth factor receptor antagonist
chondramide c	[no description available]	low	0	0	chondramide; indoles; phenols	antineoplastic agent; bacterial metabolite
n-(cyanomethyl)-4-(2-((4-(4-morpholinyl)phenyl)amino)-4-pyrimidinyl)benzamide	[no description available]	low	0	0	aminopyrimidine; benzamides; morpholines; nitrile; secondary amino compound; tertiary amino compound	anti-anaemic agent; antineoplastic agent; apoptosis inducer; EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor
cetrorelix	[no description available]	low	0	0	oligopeptide	antineoplastic agent; GnRH antagonist
histrelin	[no description available]	low	0	0	oligopeptide	antineoplastic agent; gonadotropin releasing hormone agonist
cabozantinib	[no description available]	low	0	0	aromatic ether; dicarboxylic acid diamide; organofluorine compound; quinolines	antineoplastic agent; tyrosine kinase inhibitor
incb-018424	[no description available]	low	0	0	nitrile; pyrazoles; pyrrolopyrimidine	antineoplastic agent; EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor
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
asp3026	[no description available]	low	0	0	aromatic amine; diamino-1,3,5-triazine; monomethoxybenzene; N-methylpiperazine; piperidines; secondary amino compound; sulfone	antimalarial; antineoplastic agent; apoptosis inducer; EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor; EC 6.1.1.6 (lysine--tRNA ligase) inhibitor
entrectinib	[no description available]	low	0	0	benzamides; difluorobenzene; indazoles; N-methylpiperazine; oxanes; secondary amino compound; secondary carboxamide	antibacterial agent; antineoplastic agent; apoptosis inducer; EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor
TAK-580	[no description available]	low	0	0	1,3-thiazolecarboxamide; aminopyrimidine; chloropyridine; organofluorine compound; pyrimidinecarboxamide; secondary carboxamide	antineoplastic agent; apoptosis inducer; B-Raf inhibitor
glasdegib	[no description available]	low	0	0	benzimidazoles; nitrile; phenylureas; piperidines	antineoplastic agent; Hedgehog signaling pathway inhibitor; SMO receptor antagonist
gsk 2126458	[no description available]	low	0	0	aromatic ether; difluorobenzene; pyridazines; pyridines; quinolines; sulfonamide	anticoronaviral agent; antineoplastic agent; autophagy inducer; EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor; mTOR inhibitor; radiosensitizing agent
ixazomib	[no description available]	low	0	0	benzamides; boronic acids; dichlorobenzene; glycine derivative	antineoplastic agent; apoptosis inducer; drug metabolite; orphan drug; proteasome inhibitor
cx 5461	[no description available]	low	0	0	diazepine; naphthyridine derivative; organic heterotetracyclic compound; pyrazines; secondary carboxamide	antineoplastic agent; apoptosis inducer; EC 2.7.7.6 (RNA polymerase) inhibitor
(5-(2,4-bis((3s)-3-methylmorpholin-4-yl)pyrido(2,3-d)pyrimidin-7-yl)-2-methoxyphenyl)methanol	[no description available]	low	0	0	benzyl alcohols; morpholines; pyridopyrimidine; tertiary amino compound	antineoplastic agent; apoptosis inducer; mTOR inhibitor
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
INDY	[no description available]	low	0	0	benzothiazoles; enone; organic hydroxy compound	antineoplastic agent; drug metabolite; EC 2.7.12.1 (dual-specificity kinase) inhibitor
dabrafenib	[no description available]	low	0	0	1,3-thiazoles; aminopyrimidine; organofluorine compound; sulfonamide	anticoronaviral agent; antineoplastic agent; B-Raf inhibitor
cblc137	[no description available]	low	0	0	aromatic ketone; carbazoles; methyl ketone; secondary amino compound; tertiary amino compound	antineoplastic agent; apoptosis inducer; NF-kappaB inhibitor; p53 activator
thiopental sodium	[no description available]	low	0	0	organochlorine compound; piperazines; pyrimidines	antineoplastic agent; tyrosine kinase inhibitor
EG00229	[no description available]	low	0	0	benzothiadiazole; dicarboxylic acid monoamide; L-arginine derivative; secondary carboxamide; sulfonamide; thiophenes	angiogenesis inhibitor; antineoplastic agent; neuropilin receptor antagonist
jadomycin b	[no description available]	medium	0	0	glycoside; jadomycin; organic heteropentacyclic compound	antibacterial agent; antineoplastic agent; apoptosis inducer; Aurora kinase inhibitor; bacterial metabolite
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
chondramide a	[no description available]	low	0	0	chondramide; indoles; phenols	antineoplastic agent; bacterial metabolite
lrrk2-in1	[no description available]	low	0	0	aromatic amine; aromatic ether; N-acylpiperidine; N-alkylpiperazine; pyrimidobenzodiazepine; secondary amino compound; tertiary amino compound	antineoplastic agent; EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor
jq1 compound	[no description available]	low	0	0	carboxylic ester; organochlorine compound; tert-butyl ester; thienotriazolodiazepine	angiogenesis inhibitor; anti-inflammatory agent; antineoplastic agent; apoptosis inducer; bromodomain-containing protein 4 inhibitor; cardioprotective agent; ferroptosis inducer
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
gilteritinib	[no description available]	low	0	0	aromatic amine; monomethoxybenzene; N-methylpiperazine; oxanes; piperidines; primary carboxamide; pyrazines; secondary amino compound	antineoplastic agent; apoptosis inducer; EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor
alectinib	[no description available]	low	0	0	aromatic ketone; morpholines; nitrile; organic heterotetracyclic compound; piperidines	antineoplastic agent; EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor
ML240	[no description available]	low	0	0	aromatic amine; aromatic ether; benzimidazoles; primary amino compound; quinazolines; secondary amino compound	antineoplastic agent
torin 1	[no description available]	low	0	0	N-acylpiperazine; N-arylpiperazine; organofluorine compound; pyridoquinoline; quinolines	antineoplastic agent; mTOR inhibitor
pracinostat	[no description available]	low	0	0	benzimidazole; hydroxamic acid; olefinic compound; tertiary amino compound	antimalarial; antineoplastic agent; apoptosis inducer; EC 3.5.1.98 (histone deacetylase) inhibitor
physalin f	[no description available]	low	0	0	enone; epoxy steroid; lactone; physalin	antileishmanial agent; antimalarial; antineoplastic agent; apoptosis inducer; immunosuppressive agent
xl765	[no description available]	low	0	0	aromatic amine; aromatic ether; benzamides; quinoxaline derivative; sulfonamide	antineoplastic agent; EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor; mTOR inhibitor
DMH1	[no description available]	low	0	0	aromatic ether; pyrazolopyrimidine; quinolines	antineoplastic agent; bone morphogenetic protein receptor antagonist; protein kinase inhibitor
torin 2	[no description available]	low	0	0	aminopyridine; organofluorine compound; primary amino compound; pyridoquinoline	antineoplastic agent; mTOR inhibitor
3-(2,6-dichloro-3,5-dimethoxyphenyl)-1-(6-(4-(4-ethylpiperazin-1-yl)-phenylamino)pyrimidin-4-yl)-1-methylurea	[no description available]	low	0	0	aminopyrimidine; dichlorobenzene; N-alkylpiperazine; N-arylpiperazine; phenylureas	antineoplastic agent; fibroblast growth factor receptor antagonist
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
gsk2656157	[no description available]	low	0	0	biaryl; indoles; methylpyridines; organofluorine compound; pyrrolopyrimidine; tertiary carboxamide	antineoplastic agent; EC 3.1.3.48 (protein-tyrosine-phosphatase) inhibitor; PERK inhibitor
n-(2-(5-methoxy-2-oxo-2,3-dihydro-1h-indol-3-yl)ethyl)acetamide	[no description available]	low	0	0	acetamides; hydroxyindoles; tryptamines	antineoplastic agent; apoptosis inducer; plant metabolite
coumermycin	[no description available]	low	0	0	aromatic amide; coumarins; glycoside; heteroarenecarboxylate ester; pyrroles	antimicrobial agent; antineoplastic agent; bacterial metabolite; DNA synthesis inhibitor; Hsp90 inhibitor; topoisomerase IV inhibitor
AZD3463	[no description available]	low	0	0	aminopiperidine; aminopyrimidine; indoles; monomethoxybenzene; organochlorine compound; secondary amino compound; tertiary amino compound	antineoplastic agent; apoptosis inducer; autophagy inducer; EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor
asperfuranone	[no description available]	low	0	0	2-benzofurans; cyclic ketone; diol; polyketide; secondary alcohol; tertiary alcohol; tertiary alpha-hydroxy ketone	antineoplastic agent; fungal metabolite
ceritinib	[no description available]	low	0	0	aminopyrimidine; aromatic ether; organochlorine compound; piperidines; secondary amino compound; sulfone	antineoplastic agent; EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor
pelabresib	[no description available]	low	0	0	monochlorobenzenes; organic heterotricyclic compound; primary carboxamide	antineoplastic agent; bromodomain-containing protein 4 inhibitor
MK-8353	[no description available]	low	0	0	aromatic ether; dihydropyridine; indazoles; methyl sulfide; N-alkylpyrrolidine; pyridines; pyrrolidinecarboxamide; secondary carboxamide; tertiary carboxamide; triazoles	antineoplastic agent; apoptosis inducer; EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor
gsk2879552	[no description available]	low	0	0	benzenes; benzoic acids; cyclopropanes; monocarboxylic acid; piperidines; secondary amino compound; tertiary amino compound	antineoplastic agent; EC 1.14.99.66 (lysine-specific histone demethylase 1A) inhibitor
ssr128129e	[no description available]	low	0	0	organic sodium salt	antineoplastic agent; fibroblast growth factor receptor antagonist
aspergillide a	[no description available]	low	0	0	bridged compound; cyclic ether; macrolide; secondary alcohol	antineoplastic agent; Aspergillus metabolite
capilliposide b	[no description available]	low	0	0	alpha-L-arabinopyranoside; bridged compound; cyclic ether; diol; hexacyclic triterpenoid; hexanoate ester; lactol; secondary alcohol; tetrasaccharide derivative; triterpenoid saponin	antineoplastic agent; plant metabolite
brasilicardin a	[no description available]	low	0	0	benzoate ester; carbotricyclic compound; diterpenoid; N-acetyl-D-glucosaminide; non-proteinogenic alpha-amino acid; phenols	antimicrobial agent; antineoplastic agent; bacterial metabolite; immunosuppressive agent
acp-196	[no description available]	low	0	0	aromatic amine; benzamides; imidazopyrazine; pyridines; pyrrolidinecarboxamide; secondary carboxamide; tertiary carboxamide; ynone	antineoplastic agent; apoptosis inducer; EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor
gsk343	[no description available]	low	0	0	aminopyridine; indazoles; N-alkylpiperazine; N-arylpiperazine; pyridone; secondary carboxamide	antineoplastic agent; apoptosis inducer; EC 2.1.1.43 (enhancer of zeste homolog 2) inhibitor
GSK1059615	[no description available]	low	0	0	pyridines; quinolines; thiazolidinone	antineoplastic agent; EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor
osimertinib	[no description available]	low	0	0	acrylamides; aminopyrimidine; biaryl; indoles; monomethoxybenzene; secondary amino compound; secondary carboxamide; substituted aniline; tertiary amino compound	antineoplastic agent; epidermal growth factor receptor antagonist
ivosidenib	[no description available]	low	0	0	cyanopyridine; monochlorobenzenes; organofluorine compound; pyrrolidin-2-ones; secondary carboxamide; tertiary carboxamide	antineoplastic agent; EC 1.1.1.42 (isocitrate dehydrogenase) inhibitor
phleomycin d1	[no description available]	low	0	0	bi-1,3-thiazole; chelate-forming peptide; disaccharide derivative; glycopeptide; guanidines	antibacterial agent; antifungal agent; antimicrobial agent; antineoplastic agent; bacterial metabolite
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
as 1842856	[no description available]	low	0	0	organofluorine compound; primary amino compound; quinolinemonocarboxylic acid; quinolone; secondary amino compound; tertiary amino compound	anti-obesity agent; antineoplastic agent; apoptosis inducer; autophagy inhibitor; forkhead box protein O1 inhibitor; hypoglycemic agent
physalin d	[no description available]	low	0	0	5alpha-hydroxy steroid; 6beta-hydroxy steroid; cyclic ether; enone; lactone; organic heteroheptacyclic compound; physalin	antimalarial; antimycobacterial drug; antineoplastic agent
acarbose	[no description available]	low	0	0	chondramide; indoles; organochlorine compound; phenols	antineoplastic agent; bacterial metabolite
sr9243	[no description available]	low	0	0	bromobenzenes; sulfonamide; sulfone	antineoplastic agent; apoptosis inducer; liver X receptor inverse agonist
CCT251545	[no description available]	low	0	0	azaspiro compound; chloropyridine; pyrazoles	antineoplastic agent; EC 2.7.11.22 (cyclin-dependent kinase) inhibitor; Wnt signalling inhibitor
ldc4297	[no description available]	low	0	0	aromatic ether; piperidines; pyrazoles; pyrazolotriazine; secondary amino compound	antineoplastic agent; antiviral agent; apoptosis inducer; EC 2.7.11.22 (cyclin-dependent kinase) inhibitor
hg-9-91-01	[no description available]	low	0	0	aminopyrimidine; dimethoxybenzene; N-alkylpiperazine; N-arylpiperazine; phenylureas; secondary amino compound	antineoplastic agent; salt-inducible kinase 2 inhibitor
cigb-300	[no description available]	low	0	0	heterodetic cyclic peptide; polypeptide	angiogenesis modulating agent; antineoplastic agent; apoptosis inducer; EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor
chondramide d	[no description available]	low	0	0	chondramide; indoles; phenols	antineoplastic agent; bacterial metabolite
bassianolide	[no description available]	low	0	0	cyclodepsipeptide; cyclooctadepsipeptide	antineoplastic agent; fungal metabolite; insecticide
enasidenib	[no description available]	low	0	0	1,3,5-triazines; aminopyridine; aromatic amine; organofluorine compound; secondary amino compound; tertiary alcohol	antineoplastic agent; EC 1.1.1.42 (isocitrate dehydrogenase) inhibitor
BDA-366	[no description available]	low	0	0	anthraquinone; epoxide; secondary alcohol; secondary amino compound; tertiary amino compound	antineoplastic agent; apoptosis inducer
ebc-46	[no description available]	medium	0	0	diester; diterpenoid; organic heteropentacyclic compound; phorbol ester	antineoplastic agent; plant metabolite; protein kinase C agonist
THZ531	[no description available]	low	0	0	aminopyrimidine; enamide; indoles; N-acylpiperidine; organochlorine compound; secondary amino compound; secondary carboxamide	antineoplastic agent; apoptosis inducer; EC 2.7.11.22 (cyclin-dependent kinase) inhibitor
can 508	[no description available]	low	0	0	aromatic amine; monoazo compound; phenols; pyrazoles	angiogenesis inhibitor; antineoplastic agent; apoptosis inducer; EC 2.7.11.22 (cyclin-dependent kinase) inhibitor
azaguanine	[no description available]	low	0	0	nucleobase analogue; triazolopyrimidines	antimetabolite; antineoplastic agent; EC 2.4.2.1 (purine-nucleoside phosphorylase) inhibitor
pemetrexed	[no description available]	low	0	0	N-acyl-L-glutamic acid; pyrrolopyrimidine	antimetabolite; antineoplastic agent; EC 1.5.1.3 (dihydrofolate reductase) inhibitor; EC 2.1.1.45 (thymidylate synthase) inhibitor; EC 2.1.2.2 (phosphoribosylglycinamide formyltransferase) inhibitor
tirapazamine	[no description available]	low	0	0	aromatic amine; benzotriazines; N-oxide	antibacterial agent; antineoplastic agent; apoptosis inducer
pyrazofurin	[no description available]	low	0	0	C-glycosyl compound; pyrazoles	antimetabolite; antimicrobial agent; antineoplastic agent; EC 4.1.1.23 (orotidine-5'-phosphate decarboxylase) inhibitor
MMP-9-IN-1	[no description available]	low	0	0	aromatic compound; organic sulfide; organofluorine compound; pyrimidone; secondary carboxamide	antineoplastic agent; EC 3.4.24.35 (gelatinase B) inhibitor
hydrazinocurcumin	[no description available]	low	0	0	aromatic ether; olefinic compound; polyphenol; pyrazoles	angiogenesis modulating agent; antineoplastic agent; EC 2.3.1.48 (histone acetyltransferase) inhibitor; EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor
9-arabinofuranosylguanine	[no description available]	low	0	0	beta-D-arabinoside; purine nucleoside	antineoplastic agent; DNA synthesis inhibitor
cerulomycin	[no description available]	low	0	0	aldoxime; aromatic ether; bipyridines; pyridine alkaloid	antineoplastic agent; bacterial metabolite; marine metabolite
undecylprodigiosin	[no description available]	low	0	0	alkaloid; aromatic ether; tripyrrole	antibacterial agent; antineoplastic agent; apoptosis inducer; bacterial metabolite; biological pigment; immunosuppressive agent; radiosensitizing agent
ver 52296	[no description available]	low	0	0	aromatic amide; isoxazoles; monocarboxylic acid amide; morpholines; resorcinols	angiogenesis inhibitor; antineoplastic agent; Hsp90 inhibitor
2-hydroxy-3-(5-((morpholin-4-yl)methyl)pyridin-2-yl)-1h-indole-5-carbonitrile	[no description available]	low	0	0	hydroxyindoles; morpholines; nitrile; pyridines; tertiary amino compound	antineoplastic agent; apoptosis inducer; EC 2.7.11.26 (tau-protein kinase) inhibitor; tau aggregation inhibitor
XL413	[no description available]	low	0	0	benzofuropyrimidine; organochlorine compound; pyrrolidines	antineoplastic agent; EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor
pp242	[no description available]	low	0	0	aromatic amine; biaryl; hydroxyindoles; phenols; primary amino compound; pyrazolopyrimidine	antineoplastic agent; mTOR inhibitor
ARS-1620	[no description available]	low	0	0	quinazolines	antineoplastic agent; antiviral agent; inhibitor
sotorasib	[no description available]	low	0	0	acrylamides; methylpyridines; monofluorobenzenes; N-acylpiperazine; phenols; pyridopyrimidine; tertiary amino compound; tertiary carboxamide	antineoplastic agent
phenylacetic acid	[no description available]	low	0	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
nereistoxin	[no description available]	low	0	0	dithiolanes	insecticide; toxin
solanidine	[no description available]	low	0	0	3beta-hydroxy-Delta(5)-steroid; solanid-5-en-3-ol; steroid alkaloid fundamental parent	plant metabolite; toxin
djenkolic acid	[no description available]	low	0	0	dithioacetal; L-cysteine derivative; non-proteinogenic L-alpha-amino acid	plant metabolite; toxin
tabtoxin	[no description available]	low	0	0	dipeptide; L-threonine derivative; monobactam; secondary alcohol	bacterial metabolite; toxin
tilivalline	[no description available]	low	0	0	indole alkaloid; indoles; phenols; pyrrolobenzodiazepine	bacterial metabolite; microtubule-stabilising agent; toxin
3-octanone	[no description available]	low	0	0	dialkyl ketone	antifeedant; biomarker; fungal metabolite; human urinary metabolite; insect attractant; plant metabolite; toxin
neriifolin	[no description available]	low	0	0	cardenolide glycoside	cardiotonic drug; neuroprotective agent; toxin
ergonovine	[no description available]	low	0	0	ergot alkaloid; monocarboxylic acid amide; organic heterotetracyclic compound; primary alcohol; secondary amino compound; tertiary amino compound	diagnostic agent; fungal metabolite; oxytocic; toxin
dysidenin	[no description available]	low	0	0	1,3-thiazoles; organochlorine compound; secondary carboxamide; tertiary carboxamide	animal metabolite; marine metabolite; toxin
palytoxin	[no description available]	low	0	0	polyol	toxin
dinophysistoxin 1	[no description available]	low	0	0	ketal	animal metabolite; EC 3.1.3.16 (phosphoprotein phosphatase) inhibitor; marine metabolite; toxin
decarbamylsaxitoxin	[no description available]	low	0	0	alkaloid; guanidines; ketone hydrate; paralytic shellfish toxin; primary alcohol; pyrrolopurine	bacterial metabolite; marine metabolite; neurotoxin; toxin; xenobiotic
tropodithietic acid	[no description available]	low	0	0	cyclic ketone; monocarboxylic acid; organic disulfide; organic heterobicyclic compound; organosulfur heterocyclic compound	antibacterial agent; bacterial metabolite; marine metabolite; signalling molecule; toxin
saxitoxin	[no description available]	low	0	0	alkaloid; carbamate ester; guanidines; ketone hydrate; paralytic shellfish toxin; pyrrolopurine	cyanotoxin; marine metabolite; neurotoxin; sodium channel blocker; toxin
dinophysistoxin 2	[no description available]	low	0	0	ketal	EC 3.1.3.16 (phosphoprotein phosphatase) inhibitor; toxin
biliatresone	[no description available]	low	0	0	aromatic ether; aromatic ketone; benzodioxoles; enone; phenols	plant metabolite; toxin
tilimycin	[no description available]	low	0	0	phenols; pyrrolobenzodiazepine	alkylating agent; apoptosis inducer; bacterial metabolite; toxin
chetomin	[no description available]	low	0	0	indoles; organic disulfide; organic heteropentacyclic compound	Chaetomium metabolite; immunosuppressive agent
amberlite cg 400	[no description available]	low	0	0	methyl ester; organic heteropentacyclic compound; yohimban alkaloid
fluocinolone acetonide	[no description available]	low	0	0	11beta-hydroxy steroid; 20-oxo steroid; 21-hydroxy steroid; 3-oxo-Delta(1),Delta(4)-steroid; cyclic ketal; fluorinated steroid; glucocorticoid; organic heteropentacyclic compound; primary alpha-hydroxy ketone	anti-inflammatory drug; antipruritic drug
stanozolol	[no description available]	low	0	0	17beta-hydroxy steroid; anabolic androgenic steroid; organic heteropentacyclic compound; tertiary alcohol	anabolic agent; androgen
butaclamol	[no description available]	low	0	0	organic heteropentacyclic compound
cephalotaxine	[no description available]	low	0	0	benzazepine alkaloid fundamental parent; benzazepine alkaloid; cyclic acetal; enol ether; organic heteropentacyclic compound; secondary alcohol; tertiary amino compound
siccanin	[no description available]	low	0	0	organic heteropentacyclic compound	antifungal drug; fungal metabolite
gallein	[no description available]	low	0	0	2-benzofurans; gamma-lactone; organic heteropentacyclic compound; oxaspiro compound; polyphenol; xanthene dye	fluorochrome; G-protein-coupled receptor antagonist; histological dye
tylophorine	[no description available]	low	0	0	organic heteropentacyclic compound; organonitrogen heterocyclic compound
sporidesmin	[no description available]	low	0	0	aromatic ether; cyclic ketone; diketone; organic disulfide; organic heteropentacyclic compound; organochlorine compound; secondary alcohol; tertiary alcohol; tertiary amino compound	mycotoxin; Wnt signalling activator
fumitremorgin b	[no description available]	low	0	0	indole alkaloid; organic heteropentacyclic compound	mycotoxin
versicolorin c	[no description available]	low	0	0	cyclic acetal; organic heteropentacyclic compound; p-quinones; polyphenol	Aspergillus metabolite
glyceollin	[no description available]	low	0	0	organic heteropentacyclic compound
tryptoquivaline	[no description available]	low	0	0	aromatic ether; indole alkaloid; organic heteropentacyclic compound	breast cancer resistance protein inhibitor; mycotoxin
averufin	[no description available]	low	0	0	cyclic ketal; organic heteropentacyclic compound; polyketide; polyphenol	fungal metabolite
versicolorin a	[no description available]	low	0	0	cyclic acetal; organic heteropentacyclic compound; p-quinones; polyphenol	Aspergillus metabolite; carcinogenic agent
noribogaine	[no description available]	low	0	0	monoterpenoid indole alkaloid; organic heteropentacyclic compound; secondary amino compound; tertiary amino compound	kappa-opioid receptor agonist; NMDA receptor antagonist; psychotropic drug; serotonin uptake inhibitor
rescinnamine	[no description available]	low	0	0	indole alkaloid; methyl ester; organic heteropentacyclic compound	antihypertensive agent
geissospermine	[no description available]	low	0	0	indole alkaloid; methyl ester; organic heteropentacyclic compound; organic heterotetracyclic compound	EC 3.1.1.7 (acetylcholinesterase) inhibitor
codeine	[no description available]	low	0	0	morphinane alkaloid; organic heteropentacyclic compound	antitussive; drug allergen; environmental contaminant; opioid analgesic; opioid receptor agonist; prodrug; xenobiotic
hydrocodone	[no description available]	low	0	0	morphinane-like compound; organic heteropentacyclic compound	antitussive; mu-opioid receptor agonist; opioid analgesic
hydromorphone	[no description available]	low	0	0	morphinane alkaloid; organic heteropentacyclic compound	mu-opioid receptor agonist; opioid analgesic
oxycodone	[no description available]	low	0	0	organic heteropentacyclic compound; semisynthetic derivative	antitussive; mu-opioid receptor agonist; opioid analgesic
nalbuphine	[no description available]	low	0	0	organic heteropentacyclic compound	mu-opioid receptor antagonist; opioid analgesic
pholcodine	[no description available]	low	0	0	morphinane alkaloid; organic heteropentacyclic compound	antitussive; drug allergen; mu-opioid receptor agonist; opioid analgesic
thebaine	[no description available]	low	0	0	morphinane alkaloid; organic heteropentacyclic compound
oripavine	[no description available]	low	0	0	ether; morphinane alkaloid; organic heteropentacyclic compound; organic hydroxy compound; tertiary amino compound	bacterial xenobiotic metabolite; opioid analgesic
neopine	[no description available]	low	0	0	morphinane alkaloid; organic heteropentacyclic compound
akuammicine	[no description available]	low	0	0	methyl ester; monoterpenoid indole alkaloid; organic heteropentacyclic compound; tertiary amino compound	plant metabolite
demethoxyfumitremorgin c	[no description available]	low	0	0	indole alkaloid; organic heteropentacyclic compound	mycotoxin
triphosphate	[no description available]	low	0	0	aldehyde; indole alkaloid; organic heteropentacyclic compound	plant metabolite
vindolinine	[no description available]	low	0	0	methyl ester; monoterpenoid indole alkaloid; organic heteropentacyclic compound; tertiary amino compound	plant metabolite
alexa fluor 546	[no description available]	low	0	0	organic heteropentacyclic compound	fluorochrome
picrinine	[no description available]	low	0	0	alkaloid ester; indole alkaloid; methyl ester; organic heteropentacyclic compound; polycyclic ether	analgesic; anti-asthmatic agent; anti-inflammatory agent; antitussive; plant metabolite
crambescidin 800	[no description available]	low	0	0	alkaloid; carboxylic ester; guanidines; monocarboxylic acid amide; organic heteropentacyclic compound; primary amino compound; secondary alcohol; spiro compound	anti-HIV-1 agent; anti-HSV-1 agent; antimalarial; marine metabolite
naloxegol	[no description available]	low	0	0	aromatic ether; organic heteropentacyclic compound; phenols; polyether; tertiary alcohol	cathartic; mu-opioid receptor antagonist
gs-5816	[no description available]	low	0	0	carbamate ester; ether; imidazoles; L-valine derivative; N-acylpyrrolidine; organic heteropentacyclic compound; ring assembly	antiviral drug; hepatitis C virus nonstructural protein 5A inhibitor
chrodrimanin b	[no description available]	low	0	0	organic heteropentacyclic compound
wilforgine	[no description available]	low	0	0	acetate ester; dihydroagarofuran sesquiterpenoid; furans; macrocyclic lactone; organic heteropentacyclic compound; pyridine alkaloid	plant metabolite

Article	Year
AMPK-dependent autophagy activation and alpha-Synuclein clearance: a putative mechanism behind alpha-mangostin's neuroprotection in a rotenone-induced mouse model of Parkinson's disease. Metabolic brain disease, Volume: 37, Issue: 8	2022
Ursolic acid enhances autophagic clearance and ameliorates motor and non-motor symptoms in Parkinson's disease mice model. Acta pharmacologica Sinica, Volume: 44, Issue: 4	2023
Using Rotenone to Model Parkinson's Disease in Mice: A Review of the Role of Pharmacokinetics. Chemical research in toxicology, 05-17, Volume: 34, Issue: 5	2021
Hydroxysafflor yellow A promotes α-synuclein clearance via regulating autophagy in rotenone-induced Parkinson's disease mice. Folia neuropathologica, Volume: 56, Issue: 2	2018
Channels for water efflux and influx involved in volume regulation of murine spermatozoa. Reproduction (Cambridge, England), Volume: 136, Issue: 4	2008
Mode of mitochondrial Ca2+ clearance and its influence on secretory responses in stimulated chromaffin cells. Cell calcium, Volume: 39, Issue: 1	2006
Clearance of alpha-synuclein oligomeric intermediates via the lysosomal degradation pathway. The Journal of neuroscience : the official journal of the Society for Neuroscience, Feb-25, Volume: 24, Issue: 8	2004
Pharmacokinetics of deguelin, a cancer chemopreventive agent in rats. Cancer chemotherapy and pharmacology, Volume: 47, Issue: 3	2001
Impaired glutamate clearance as a consequence of energy failure caused by MPP(+) in astrocytic cultures. Toxicology and applied pharmacology, Aug-01, Volume: 158, Issue: 3	1999
Ultrastructural, optical and volume changes in brain mitochondria during gramicidin-induced ion uptake. Acta biochimica et biophysica; Academiae Scientiarum Hungaricae, Volume: 12, Issue: 1	1977
[information is derived through text-mining from research data collected from National Library of Medicine (NLM), extracted Dec-2023]

Article	Year
Polysorbate 80 surface modified SLNs of formoterol suppress SNCA gene and mitochondrial oxidative stress in mice model of Parkinson's disease. Scientific reports, 11-15, Volume: 13, Issue: 1	2023
β-carotene-loaded nanoparticles protect against neuromotor damage, oxidative stress, and dopamine deficits in a model of Parkinson's disease in Drosophila melanogaster. Comparative biochemistry and physiology. Toxicology & pharmacology : CBP, Volume: 268	2023
Non-Reproducibility of Oral Rotenone as a Model for Parkinson's Disease in Mice. International journal of molecular sciences, Oct-21, Volume: 23, Issue: 20	2022
Nanostructure lipid carriers enhance alpha-mangostin neuroprotective efficacy in mice with rotenone-induced neurodegeneration. Metabolic brain disease, Volume: 37, Issue: 5	2022
Improved neuroprotective activity of Fisetin through SNEDDS in ameliorating the behavioral alterations produced in rotenone-induced Parkinson's model. Environmental science and pollution research international, Volume: 29, Issue: 33	2022
Microemulsion-based gel for the transdermal delivery of rasagiline mesylate: In vitro and in vivo assessment for Parkinson's therapy. European journal of pharmaceutics and biopharmaceutics : official journal of Arbeitsgemeinschaft fur Pharmazeutische Verfahrenstechnik e.V, Volume: 165	2021
Nanoemulsion Improves the Neuroprotective Effects of Curcumin in an Experimental Model of Parkinson's Disease. Neurotoxicity research, Volume: 39, Issue: 3	2021
Enhanced oral bioavailability and neuroprotective effect of fisetin through its SNEDDS against rotenone-induced Parkinson's disease rat model. Food and chemical toxicology : an international journal published for the British Industrial Biological Research Association, Volume: 144	2020
Chitosan-Ellagic Acid Nanohybrid for Mitigating Rotenone-induced Oxidative Stress. ACS applied materials & interfaces, Apr-22, Volume: 12, Issue: 16	2020
Deferoxamine and Curcumin Loaded Nanocarriers Protect Against Rotenone-Induced Neurotoxicity. Journal of Parkinson's disease, Volume: 10, Issue: 1	2020
Neuroprotective Effect of Quercetin in Combination with Piperine Against Rotenone- and Iron Supplement-Induced Parkinson's Disease in Experimental Rats. Neurotoxicity research, Volume: 37, Issue: 1	2020
A High-Throughput Screen of a Library of Therapeutics Identifies Cytotoxic Substrates of P-glycoprotein. Molecular pharmacology, Volume: 96, Issue: 5	2019
Physiologically relevant orthogonal assays for the discovery of small-molecule modulators of WIP1 phosphatase in high-throughput screens. The Journal of biological chemistry, 11-15, Volume: 294, Issue: 46	2019
Synthesis, characterization and efficacy of mitochondrial targeted delivery of TPP-curcumin in rotenone-induced toxicity. Daru : journal of Faculty of Pharmacy, Tehran University of Medical Sciences, Volume: 27, Issue: 2	2019
Brain targeted delivery of mucoadhesive thermosensitive nasal gel of selegiline hydrochloride for treatment of Parkinson's disease. Journal of drug targeting, Volume: 26, Issue: 2	2018
Delivery of Dual Drug Loaded Lipid Based Nanoparticles across the Blood-Brain Barrier Impart Enhanced Neuroprotection in a Rotenone Induced Mouse Model of Parkinson's Disease. ACS chemical neuroscience, 12-21, Volume: 7, Issue: 12	2016
Curcumin Monoglucoside Shows Improved Bioavailability and Mitigates Rotenone Induced Neurotoxicity in Cell and Drosophila Models of Parkinson's Disease. Neurochemical research, Volume: 41, Issue: 11	2016
Biguanides sensitize leukemia cells to ABT-737-induced apoptosis by inhibiting mitochondrial electron transport. Oncotarget, Aug-09, Volume: 7, Issue: 32	2016
Mitochondria and NMDA receptor-dependent toxicity of berberine sensitizes neurons to glutamate and rotenone injury. PloS one, Volume: 9, Issue: 9	2014
Anle138b: a novel oligomer modulator for disease-modifying therapy of neurodegenerative diseases such as prion and Parkinson's disease. Acta neuropathologica, Volume: 125, Issue: 6	2013
A water soluble CoQ10 formulation improves intracellular distribution and promotes mitochondrial respiration in cultured cells. PloS one, Volume: 7, Issue: 3	2012
Oral administration of rotenone using a gavage and image analysis of alpha-synuclein inclusions in the enteric nervous system. Journal of visualized experiments : JoVE, Oct-26, Issue: 44	2010
Acute and sublethal toxicities of rotenone in juvenile rainbow trout (Oncorhynchus mykiss): swimming performance and oxygen consumption. Archives of environmental contamination and toxicology, Volume: 52, Issue: 3	2007
Race-specific differences in endothelial function: predisposition of African Americans to vascular diseases. Circulation, Jun-01, Volume: 109, Issue: 21	2004
Metabolic inhibitors: effects on metabolism and transport in the proximal tubule. The American journal of physiology, Volume: 243, Issue: 2	1982
[information is derived through text-mining from research data collected from National Library of Medicine (NLM), extracted Dec-2023]

Article	Year
Effects of ozone treatment to the levels of neurodegeneration biomarkers after rotenone induced rat model of Parkinson's disease. Neuroscience letters, 09-25, Volume: 814	2023
The Anxiolytic Drug Buspirone Prevents Rotenone-Induced Toxicity in a Mouse Model of Parkinson's Disease. International journal of molecular sciences, Feb-06, Volume: 23, Issue: 3	2022
Mechanistic insights into the protective effect of paracetamol against rotenone-induced Parkinson's disease in rats: Possible role of endocannabinoid system modulation. International immunopharmacology, Volume: 94	2021
Changes in COX histochemistry in the brain of mice and rats exposed to chronic subcutaneous rotenone. Journal of chemical neuroanatomy, Volume: 110	2020
Neuroprotection of Rotenone-Induced Parkinsonism by Ursolic Acid in PD Mouse Model. CNS & neurological disorders drug targets, Volume: 19, Issue: 7	2020
Troxerutin downregulates C/EBP-β gene expression via modulating the IFNγ-ERK1/2 signaling pathway to ameliorate rotenone-induced retinal neurodegeneration. Journal of biochemical and molecular toxicology, Volume: 34, Issue: 6	2020
Dose-Response Metabolomics To Understand Biochemical Mechanisms and Off-Target Drug Effects with the TOXcms Software. Analytical chemistry, 01-21, Volume: 92, Issue: 2	2020
Involvement of Akt/mTOR in the Neurotoxicity of Rotenone-Induced Parkinson's Disease Models. International journal of environmental research and public health, 10-10, Volume: 16, Issue: 20	2019
The effects of rotenone on TH, BDNF and BDNF-related proteins in the brain and periphery: Relevance to early Parkinson's disease. Journal of chemical neuroanatomy, Volume: 97	2019
Tetramethylpyrazine Ameliorates Rotenone-Induced Parkinson's Disease in Rats: Involvement of Its Anti-Inflammatory and Anti-Apoptotic Actions. Molecular neurobiology, Volume: 54, Issue: 7	2017
Adaptive aneuploidy protects against thiol peroxidase deficiency by increasing respiration via key mitochondrial proteins. Proceedings of the National Academy of Sciences of the United States of America, Aug-25, Volume: 112, Issue: 34	2015
Potential efficacy of dopamine loaded-PVP/PAA nanogel in experimental models of Parkinsonism: possible disease modifying activity. Journal of biomedical materials research. Part A, Volume: 103, Issue: 5	2015
Effect of two formulations on the decline curves and residue levels of rotenone in cabbage and soil under field conditions. Ecotoxicology and environmental safety, Volume: 104	2014
Toxicological evaluation of a rotenone derivative in rodents for clinical myocardial perfusion imaging. Cardiovascular toxicology, Volume: 14, Issue: 2	2014
An approach to investigate intracellular protein network responses. Chemical research in toxicology, Jan-21, Volume: 27, Issue: 1	2014
Neuroprotection by genipin against reactive oxygen and reactive nitrogen species-mediated injury in organotypic hippocampal slice cultures. Brain research, Jan-16, Volume: 1543	2014
Amelioration of an undesired action of deguelin. Toxicon : official journal of the International Society on Toxinology, Volume: 74	2013
A mode-of-action approach for the identification of genotoxic carcinogens. PloS one, Volume: 8, Issue: 5	2013
Using human pluripotent stem cell-derived dopaminergic neurons to evaluate candidate Parkinson's disease therapeutic agents in MPP+ and rotenone models. Journal of biomolecular screening, Volume: 18, Issue: 5	2013
Idebenone protects against retinal damage and loss of vision in a mouse model of Leber's hereditary optic neuropathy. PloS one, Volume: 7, Issue: 9	2012
Opposite and tissue-specific effects of coenzyme Q2 on mPTP opening and ROS production between heart and liver mitochondria: role of complex I. Journal of molecular and cellular cardiology, Volume: 52, Issue: 5	2012
Protective effect of Bu-7, a flavonoid extracted from Clausena lansium, against rotenone injury in PC12 cells. Acta pharmacologica Sinica, Volume: 32, Issue: 11	2011
Exploring the boundaries of additivity: mixtures of NADH: quinone oxidoreductase inhibitors. Chemical research in toxicology, Aug-15, Volume: 24, Issue: 8	2011
Dose-dependent loss of motor function after unilateral medial forebrain bundle rotenone lesion in rats: a cautionary note. Behavioural brain research, Sep-12, Volume: 222, Issue: 1	2011
Dual effects of alpha-synuclein on neurotoxicity induced by low dosage of rotenone are dependent on exposure time in dopaminergic neuroblastoma cells. Science China. Life sciences, Volume: 53, Issue: 5	2010
Gene therapy using lactoferrin-modified nanoparticles in a rotenone-induced chronic Parkinson model. Journal of the neurological sciences, Mar-15, Volume: 290, Issue: 1-2	2010
Antifeedant activity of ethanolic extract from Flourensia oolepis and isolation of pinocembrin as its active principle compound. Bioresource technology, Volume: 100, Issue: 14	2009
Effects of aerobic and anaerobic metabolic inhibitors on avian intrapulmonary chemoreceptors. American journal of physiology. Regulatory, integrative and comparative physiology, Volume: 296, Issue: 5	2009
Vascular pathology in male Lewis rats following short-term, low-dose rotenone administration. Veterinary pathology, Volume: 46, Issue: 4	2009
Studies on cellular resilience and adaptation following acute and repetitive exposure to ozone in cultured human epithelial (HeLa) cells. Redox report : communications in free radical research, Volume: 13, Issue: 2	2008
24-well plate spectrophotometric assay for preliminary screening of metabolic activity. Assay and drug development technologies, Volume: 1, Issue: 3	2003
Interval estimation of inverse dose-response. Biometrics, Volume: 51, Issue: 2	1995
Measurement of sublethal metabolic stress in rainbow trout (Salmo gairdneri) using automated respirometry. Journal of environmental science and health. Part. B, Pesticides, food contaminants, and agricultural wastes, Volume: 15, Issue: 2	1980
Factors affecting the efflux of paraquat from rat lung slices. Toxicology, Volume: 19, Issue: 3	1981
Further observations of aldosterone response in barnacle muscle fibers. The American journal of physiology, Volume: 245, Issue: 3	1983
Statistical modeling of the effects of drug combinations. Journal of pharmacological methods, Volume: 23, Issue: 4	1990
[information is derived through text-mining from research data collected from National Library of Medicine (NLM), extracted Dec-2023]

rotenone

Description

Cross-References

Synonyms (204)

Research Excerpts

Overview

Effects

Actions

Treatment

Roles (6)

Drug Classes (2)

Pathways (6)

Protein Targets (112)

Potency Measurements

Inhibition Measurements

Biological Processes (231)

Molecular Functions (98)

Ceullar Components (58)

Bioassays (366)

Research

Studies (4,282)

Study Types

Research Highlights

Safety/Toxicity (243)

Long-term Use (24)

Pharmacokinetics (10)

Bioavailability (26)

Dosage (38)

Interactions (4)

Natural Sources (6)

Article	Year
Tannic Acid Mitigates Rotenone-Induced Dopaminergic Neurodegeneration by Inhibiting Inflammation, Oxidative Stress, Apoptosis, and Glutamate Toxicity in Rats. International journal of molecular sciences, Jun-08, Volume: 24, Issue: 12	2023
Enhancing the neuroprotective effect of squid outer skin astaxanthin against rotenone-induced neurotoxicity in in-vitro model for Parkinson's disease. Food and chemical toxicology : an international journal published for the British Industrial Biological Research Association, Volume: 178	2023
The sensitivity of the zebrafish embryo coiling assay for the detection of neurotoxicity by compounds with diverse modes of action. Environmental science and pollution research international, Volume: 30, Issue: 30	2023
Evaluation of mRNA markers in differentiating human SH-SY5Y cells for estimation of developmental neurotoxicity. Neurotoxicology, Volume: 97	2023
BDNF mimetic 7,8-dihydroxyflavone rescues rotenone-induced cytotoxicity in cardiomyocytes by ameliorating mitochondrial dysfunction. Free radical biology & medicine, Volume: 198	2023
Rotenone encapsulated in pH-responsive alginate-based microspheres reduces toxicity to zebrafish. Environmental research, 01-01, Volume: 216, Issue: Pt 2	2023
Cytotoxicity Models in Chromaffin Cells to Evaluate Neuroprotective Compounds. Methods in molecular biology (Clifton, N.J.), Volume: 2565	2023
1α,25-Dihydroxyvitamin D3 (VD3) Shows a Neuroprotective Action Against Rotenone Toxicity on PC12 Cells: An In Vitro Model of Parkinson's Disease. Neurochemical research, Volume: 48, Issue: 1	2023
Methanolic Extract of Boswellia serrata Gum Protects the Nigral Dopaminergic Neurons from Rotenone-Induced Neurotoxicity. Molecular neurobiology, Volume: 59, Issue: 9	2022
Rotenone mediated developmental toxicity in Drosophila melanogaster. Environmental toxicology and pharmacology, Volume: 93	2022
PIASA, A Novel Peptide, Prevents SH-SY5Y Neuroblastoma Cells against Rotenone-induced Toxicity. Current molecular pharmacology, Volume: 16, Issue: 3	2023
Autophagy Signaling by Neural-Induced Human Adipose Tissue-Derived Stem Cell-Conditioned Medium during Rotenone-Induced Toxicity in SH-SY5Y Cells. International journal of molecular sciences, Apr-10, Volume: 23, Issue: 8	2022
Evaluation of 6-Hydroxydopamine and Rotenone In Vitro Neurotoxicity on Differentiated SH-SY5Y Cells Using Applied Computational Statistics. International journal of molecular sciences, Mar-10, Volume: 23, Issue: 6	2022
Protective capacity of carotenoid trans-astaxanthin in rotenone-induced toxicity in Drosophila melanogaster. Scientific reports, 03-17, Volume: 12, Issue: 1	2022
Rotenone induces hepatotoxicity in rats by activating the mitochondrial pathway of apoptosis. Toxicology mechanisms and methods, Volume: 32, Issue: 7	2022
The Anxiolytic Drug Buspirone Prevents Rotenone-Induced Toxicity in a Mouse Model of Parkinson's Disease. International journal of molecular sciences, Feb-06, Volume: 23, Issue: 3	2022
Neuroinflammation and Behavioral Deficit in Rotenone-Induced Neurotoxicity in Rats and the Possible Effects of Butanolic Extract of Recent advances in inflammation & allergy drug discovery, Volume: 15, Issue: 1	2022
Sodium butyrate attenuates rotenone-induced toxicity by activation of autophagy through epigenetically regulating PGC-1α expression in PC12 cells. Brain research, 02-01, Volume: 1776	2022
Improvement of cytotoxicity of mitoxantrone and daunorubicin by candidone, tephrosin, and bavachinin. Molecular biology reports, Volume: 48, Issue: 11	2021
Parkinson Disease-Modification Encompassing Rotenone and 6-Hydroxydopamine Neurotoxicity by the Microtubule-Protecting Drug Candidate SKIP. Journal of molecular neuroscience : MN, Volume: 71, Issue: 8	2021
The Reassessed Impact of Nicotine against Neurotoxicity in Mesencephalic Dopaminergic Cell Cultures and Neuroblastoma N18TG2 Cells. Planta medica, Volume: 88, Issue: 7	2022
FBXO22, ubiquitination degradation of PHLPP1, ameliorates rotenone induced neurotoxicity by activating AKT pathway. Toxicology letters, Oct-10, Volume: 350	2021
Developmental Neurotoxicity of Fipronil and Rotenone on a Human Neuronal In Vitro Test System. Neurotoxicity research, Volume: 39, Issue: 4	2021
Can Cranberry Juice Protect against Rotenone-Induced Toxicity in Rats? Nutrients, Mar-24, Volume: 13, Issue: 4	2021
Neural-Induced Human Adipose Tissue-Derived Stem Cells Conditioned Medium Ameliorates Rotenone-Induced Toxicity in SH-SY5Y Cells. International journal of molecular sciences, Feb-26, Volume: 22, Issue: 5	2021
PGC-1ɑ Mediated-EXOG, a Specific Repair Enzyme for Mitochondrial DNA, Plays an Essential Role in the Rotenone-Induced Neurotoxicity of PC12 Cells. Journal of molecular neuroscience : MN, Volume: 71, Issue: 11	2021
SAHA attenuates rotenone-induced toxicity in primary microglia and HT-22 cells. Toxicology and industrial health, Volume: 37, Issue: 1	2021
Pesticide interactions induce alterations in secondary structure of malate dehydrogenase to cause destability and cytotoxicity. Chemosphere, Volume: 263	2021
Evaluation of Toxicity in Four Extract Types of Tuba Root against Dengue Vector, Pakistan journal of biological sciences : PJBS, Volume: 23, Issue: 12	2020
Apelin-13 Protects Dopaminergic Neurons against Rotenone-Induced Neurotoxicity through the AMPK/mTOR/ULK-1 Mediated Autophagy Activation. International journal of molecular sciences, Nov-08, Volume: 21, Issue: 21	2020
Adiponectin protects HL-1 cardiomyocytes against rotenone-induced cytotoxicity through AMPK activation. Toxicology letters, Dec-15, Volume: 335	2020
Fast kinetics of environmentally induced α-synuclein aggregation mediated by structural alteration in NAC region and result in structure dependent cytotoxicity. Scientific reports, 10-27, Volume: 10, Issue: 1	2020
Atypical Antipsychotic Drug Ziprasidone Protects against Rotenone-Induced Neurotoxicity: An In Vitro Study. Molecules (Basel, Switzerland), Sep-14, Volume: 25, Issue: 18	2020
The protective effect of natural compounds against rotenone-induced neurotoxicity. Journal of biochemical and molecular toxicology, Volume: 34, Issue: 12	2020
Ellagic acid protects dopamine neurons from rotenone-induced neurotoxicity via activation of Nrf2 signalling. Journal of cellular and molecular medicine, Volume: 24, Issue: 16	2020
Neuroprotective Role of Quercetin on Rotenone-Induced Toxicity in SH-SY5Y Cell Line Through Modulation of Apoptotic and Autophagic Pathways. Neurochemical research, Volume: 45, Issue: 8	2020
Propionic Acid and Fasudil as Treatment Against Rotenone Toxicity in an In Vitro Model of Parkinson's Disease. Molecules (Basel, Switzerland), May-28, Volume: 25, Issue: 11	2020
An Automated Differential Nuclear Staining Assay for Accurate Determination of Mitocan Cytotoxicity. Journal of visualized experiments : JoVE, 05-12, Issue: 159	2020
Isolation of the Tephrosia vogelii extract and rotenoids and their toxicity in the RTgill-W1 trout cell line and in zebrafish embryos. Toxicon : official journal of the International Society on Toxinology, Volume: 183	2020
Human Induced Pluripotent Stem Cell-Derived 3D-Neurospheres are Suitable for Neurotoxicity Screening. Cells, 05-01, Volume: 9, Issue: 5	2020
Dopamine, a key factor of mitochondrial damage and neuronal toxicity on rotenone exposure and also parkinsonic motor dysfunction-Impact of asiaticoside with a probable vesicular involvement. Journal of chemical neuroanatomy, Volume: 106	2020
Neuroprotective effects of olanzapine against rotenone-induced toxicity in PC12 cells. Acta pharmacologica Sinica, Volume: 41, Issue: 4	2020
High-content imaging of 3D-cultured neural stem cells on a 384-pillar plate for the assessment of cytotoxicity. Toxicology in vitro : an international journal published in association with BIBRA, Volume: 65	2020
Naringin Exhibits Neuroprotection Against Rotenone-Induced Neurotoxicity in Experimental Rodents. Neuromolecular medicine, Volume: 22, Issue: 2	2020
Berberine alleviates rotenone-induced cytotoxicity by antioxidation and activation of PI3K/Akt signaling pathway in SH-SY5Y cells. Neuroreport, 01-08, Volume: 31, Issue: 1	2020
Involvement of Akt/mTOR in the Neurotoxicity of Rotenone-Induced Parkinson's Disease Models. International journal of environmental research and public health, 10-10, Volume: 16, Issue: 20	2019
Protective role of cinnabar and realgar in Hua-Feng-Dan against LPS plus rotenone-induced neurotoxicity and disturbance of gut microbiota in rats. Journal of ethnopharmacology, Jan-30, Volume: 247	2020
Rotenone and 3-bromopyruvate toxicity impacts electrical and structural cardiac remodeling in rats. Toxicology letters, Volume: 318	2020
Analysis on safety assessment of Tephrosia vogelii Hook to Apis cerana cerana. Ecotoxicology and environmental safety, Nov-15, Volume: 183	2019
Chlorogenic acid-rich Solanum melongena extract has protective potential against rotenone-induced neurotoxicity in PC-12 cells. Journal of food biochemistry, Volume: 43, Issue: 11	2019
Synthesis, characterization and efficacy of mitochondrial targeted delivery of TPP-curcumin in rotenone-induced toxicity. Daru : journal of Faculty of Pharmacy, Tehran University of Medical Sciences, Volume: 27, Issue: 2	2019
Icariin protects rotenone-induced neurotoxicity through induction of SIRT3. Toxicology and applied pharmacology, 09-15, Volume: 379	2019
Rotenone Increases Isoniazid Toxicity but Does Not Cause Significant Liver Injury: Implications for the Hypothesis that Inhibition of the Mitochondrial Electron Transport Chain Is a Common Mechanism of Idiosyncratic Drug-Induced Liver Injury. Chemical research in toxicology, 07-15, Volume: 32, Issue: 7	2019
Prophylactic neuroprotective propensity of Crocin, a carotenoid against rotenone induced neurotoxicity in mice: behavioural and biochemical evidence. Metabolic brain disease, Volume: 34, Issue: 5	2019
Metformin protects red blood cells against rotenone induced oxidative stress and cytotoxicity. Archives of physiology and biochemistry, Volume: 127, Issue: 2	2021
Probiotics mixture increases butyrate, and subsequently rescues the nigral dopaminergic neurons from MPTP and rotenone-induced neurotoxicity. The Journal of nutritional biochemistry, Volume: 69	2019
Minocycline Protects against Rotenone-Induced Neurotoxicity Correlating with Upregulation of Nurr1 in a Parkinson's Disease Rat Model. BioMed research international, Volume: 2019	2019
Activation of the immunoproteasome protects SH-SY5Y cells from the toxicity of rotenone. Neurotoxicology, Volume: 73	2019
Amyloid Precursor Protein Mediates Neuronal Protection from Rotenone Toxicity. Molecular neurobiology, Volume: 56, Issue: 8	2019
Mechanistic comparison between MPTP and rotenone neurotoxicity in mice. Neurotoxicology, Volume: 71	2019
Fisetin protects against rotenone-induced neurotoxicity through signaling pathway. Frontiers in bioscience (Elite edition), 01-01, Volume: 11, Issue: 1	2019
Low-Grade Inflammation Aggravates Rotenone Neurotoxicity and Disrupts Circadian Clock Gene Expression in Rats. Neurotoxicity research, Volume: 35, Issue: 2	2019
JM-20, a novel hybrid molecule, protects against rotenone-induced neurotoxicity in experimental model of Parkinson's disease. Neuroscience letters, 01-18, Volume: 690	2019
Enteric Neurodegeneration is Mediated Through Independent Neuritic and Somal Mechanisms in Rotenone and MPP+ Toxicity. Neurochemical research, Volume: 43, Issue: 12	2018
Mutual Antagonism of PINK1/Parkin and PGC-1α Contributes to Maintenance of Mitochondrial Homeostasis in Rotenone-Induced Neurotoxicity. Neurotoxicity research, Volume: 35, Issue: 2	2019
Mitochondrial regulation by pyrroloquinoline quinone prevents rotenone-induced neurotoxicity in Parkinson's disease models. Neuroscience letters, 11-20, Volume: 687	2018
Luteolin protects microglia against rotenone-induced toxicity in a hormetic manner through targeting oxidative stress response, genes associated with Parkinson's disease and inflammatory pathways. Drug and chemical toxicology, Volume: 43, Issue: 1	2020
Mutation of hop-1 and pink-1 attenuates vulnerability of neurotoxicity in C. elegans: the role of mitochondria-associated membrane proteins in Parkinsonism. Experimental neurology, Volume: 309	2018
Toxicity, recovery, and resilience in a 3D dopaminergic neuronal in vitro model exposed to rotenone. Archives of toxicology, Volume: 92, Issue: 8	2018
(E)-Nicotinaldehyde O-Cinnamyloxime, a Nicotine Analog, Attenuates Neuronal Cells Death Against Rotenone-Induced Neurotoxicity. Molecular neurobiology, Volume: 56, Issue: 2	2019
Oral supplements of inulin during gestation offsets rotenone-induced oxidative impairments and neurotoxicity in maternal and prenatal rat brain. Biomedicine & pharmacotherapy = Biomedecine & pharmacotherapie, Volume: 104	2018
Garcinia kola seed biflavonoid fraction (Kolaviron), increases longevity and attenuates rotenone-induced toxicity in Drosophila melanogaster. Pesticide biochemistry and physiology, Volume: 145	2018
Rotenone exerts developmental neurotoxicity in a human brain spheroid model. Toxicology and applied pharmacology, 09-01, Volume: 354	2018
Minocycline diminishes the rotenone induced neurotoxicity and glial activation via suppression of apoptosis, nitrite levels and oxidative stress. Neurotoxicology, Volume: 65	2018
Resveratrol Suppresses Rotenone-induced Neurotoxicity Through Activation of SIRT1/Akt1 Signaling Pathway. Anatomical record (Hoboken, N.J. : 2007), Volume: 301, Issue: 6	2018
Metformin ameliorates arsenic trioxide hepatotoxicity via inhibiting mitochondrial complex I. Cell death & disease, 11-02, Volume: 8, Issue: 11	2017
Protective effect of (-)-α-bisabolol on rotenone-induced toxicity in Drosophila melanogaster. Canadian journal of physiology and pharmacology, Volume: 96, Issue: 4	2018
Baicalein Protects against Rotenone-Induced Neurotoxicity through Induction of Autophagy. Biological & pharmaceutical bulletin, Sep-01, Volume: 40, Issue: 9	2017
Protocol for the Differentiation of Human Induced Pluripotent Stem Cells into Mixed Cultures of Neurons and Glia for Neurotoxicity Testing. Journal of visualized experiments : JoVE, 06-09, Issue: 124	2017
Complex I inhibition augments dichloroacetate cytotoxicity through enhancing oxidative stress in VM-M3 glioblastoma cells. PloS one, Volume: 12, Issue: 6	2017
Rotenone induces nephrotoxicity in rats: oxidative damage and apoptosis. Toxicology mechanisms and methods, Volume: 27, Issue: 7	2017
Neuroprotective effect of Demethoxycurcumin, a natural derivative of Curcumin on rotenone induced neurotoxicity in SH-SY 5Y Neuroblastoma cells. BMC complementary and alternative medicine, Apr-18, Volume: 17, Issue: 1	2017
Neuroprotective effects of phloretin and its glycosylated derivative on rotenone-induced toxicity in human SH-SY5Y neuronal-like cells. BioFactors (Oxford, England), Jul-08, Volume: 43, Issue: 4	2017
Mechanistic Investigations of the Mitochondrial Complex I Inhibitor Rotenone in the Context of Pharmacological and Safety Evaluation. Scientific reports, 04-04, Volume: 7	2017
Neuroprotective Effects of Protein Tyrosine Phosphatase 1B Inhibition against ER Stress-Induced Toxicity. Molecules and cells, Volume: 40, Issue: 4	2017
Human, Tissue-Engineered, Skeletal Muscle Myobundles to Measure Oxygen Uptake and Assess Mitochondrial Toxicity. Tissue engineering. Part C, Methods, Volume: 23, Issue: 4	2017
Type-I interferons in Parkinson's disease: innate inflammatory response drives fate of neurons in model of degenerative brain disorder: An editorial comment on 'Type-I interferons mediate the neuroinflammatory response and neurotoxicity induced by rotenon Journal of neurochemistry, Volume: 141, Issue: 1	2017
Autophagic modulation by rosuvastatin prevents rotenone-induced neurotoxicity in an in vitro model of Parkinson's disease. Neuroscience letters, 03-06, Volume: 642	2017
Rifampicin pre-treatment inhibits the toxicity of rotenone-induced PC12 cells by enhancing sumoylation modification of α-synuclein. Biochemical and biophysical research communications, 03-25, Volume: 485, Issue: 1	2017
The effects of rotenone-induced toxicity via the NF-κB-iNOS pathway in rat liver. Toxicology mechanisms and methods, Volume: 27, Issue: 4	2017
Synergistic protective effect of paeoniflorin and β-ecdysterone against rotenone-induced neurotoxicity in PC12 cells. Apoptosis : an international journal on programmed cell death, Volume: 21, Issue: 12	2016
Efficacy and safety of Derris scandens (Roxb.) Benth. for musculoskeletal pain treatment: A systematic review and meta-analysis of randomized controlled trials. Journal of ethnopharmacology, Dec-24, Volume: 194	2016
Sulforaphane protects against rotenone-induced neurotoxicity in vivo: Involvement of the mTOR, Nrf2, and autophagy pathways. Scientific reports, 08-24, Volume: 6	2016
Curcumin Monoglucoside Shows Improved Bioavailability and Mitigates Rotenone Induced Neurotoxicity in Cell and Drosophila Models of Parkinson's Disease. Neurochemical research, Volume: 41, Issue: 11	2016
The Interaction of Mitochondrial Biogenesis and Fission/Fusion Mediated by PGC-1α Regulates Rotenone-Induced Dopaminergic Neurotoxicity. Molecular neurobiology, Volume: 54, Issue: 5	2017
Assessment of mitochondrial dysfunction-related, drug-induced hepatotoxicity in primary rat hepatocytes. Toxicology and applied pharmacology, 07-01, Volume: 302	2016
Enhancing Beta-Catenin Activity via GSK3beta Inhibition Protects PC12 Cells against Rotenone Toxicity through Nurr1 Induction. PloS one, Volume: 11, Issue: 4	2016
Downregulation of miR-384-5p attenuates rotenone-induced neurotoxicity in dopaminergic SH-SY5Y cells through inhibiting endoplasmic reticulum stress. American journal of physiology. Cell physiology, 05-01, Volume: 310, Issue: 9	2016
Neuroprotective effect of curcumin-loaded lactoferrin nano particles against rotenone induced neurotoxicity. Neurochemistry international, Volume: 95	2016
Resveratrol Regulates Mitochondrial Biogenesis and Fission/Fusion to Attenuate Rotenone-Induced Neurotoxicity. Oxidative medicine and cellular longevity, Volume: 2016	2016
[information is derived through text-mining from research data collected from National Library of Medicine (NLM), extracted Dec-2023]

Article	Year
Anethole attenuates motor dysfunctions, striatal neuronal activity deficiency and blood brain barrier permeability by decreasing striatal α-synuclein and oxidative stress in rotenone-induced Parkinson's disease of male rats. PloS one, Volume: 18, Issue: 11	2023
Caffeine alleviates anxiety-like behavior and brainstem lesions in a rotenone-induced rat model of Parkinson's disease. Journal of chemical neuroanatomy, Volume: 132	2023
Does treatment with autophagy-enhancers and/or ROS-scavengers alleviate behavioral and neurochemical consequences of low-dose rotenone-induced mild mitochondrial dysfunction in mice? Molecular psychiatry, Volume: 28, Issue: 4	2023
Agmatine-mediated inhibition of NMDA receptor expression and amelioration of dyskinesia via activation of Nrf2 and suppression of HMGB1/RAGE/TLR4/MYD88/NF-κB signaling cascade in rotenone lesioned rats. Life sciences, Dec-15, Volume: 311, Issue: Pt A	2022
Neuroprotective effect of anethole against rotenone induced non-motor deficits and oxidative stress in rat model of Parkinson's disease. Behavioural brain research, 02-02, Volume: 437	2023
Isolongifolene mitigates rotenone-induced dopamine depletion and motor deficits through anti-oxidative and anti-apoptotic effects in a rat model of Parkinson's disease. Journal of chemical neuroanatomy, Volume: 112	2021
Edaravone-caffeine combination for the effective management of rotenone induced Parkinson's disease in rats: An evidence based affirmative from a comparative analysis of behavior and biomarker expression. Neuroscience letters, 10-15, Volume: 711	2019
Neuroprotective effect of resveratrol on rotenone-treated C57BL/6 mice. Neuroreport, Jun-14, Volume: 28, Issue: 9	2017
Glycyrrhizic acid Attenuates Neuroinflammation and Oxidative Stress in Rotenone Model of Parkinson's Disease. Neurotoxicity research, Volume: 29, Issue: 2	2016
Neuroprotective potential of ferulic acid in the rotenone model of Parkinson's disease. Drug design, development and therapy, Volume: 9	2015
Potential efficacy of dopamine loaded-PVP/PAA nanogel in experimental models of Parkinsonism: possible disease modifying activity. Journal of biomedical materials research. Part A, Volume: 103, Issue: 5	2015
Neuroprotective Properties of Standardized Extracts of Hypericum perforatum on Rotenone Model of Parkinson's Disease. CNS & neurological disorders drug targets, Volume: 12, Issue: 5	2013
Parkinsonian rotenone mouse model: reevaluation of long-term administration of rotenone in C57BL/6 mice. Biological & pharmaceutical bulletin, Volume: 34, Issue: 1	2011
Chronic administration with rotenone does not enhance MPTP neurotoxicity in C57BL/6 mice. Journal of molecular neuroscience : MN, Volume: 41, Issue: 1	2010
Valproic acid is neuroprotective in the rotenone rat model of Parkinson's disease: involvement of alpha-synuclein. Neurotoxicity research, Volume: 17, Issue: 2	2010
Effect of centrophenoxine against rotenone-induced oxidative stress in an animal model of Parkinson's disease. Neurochemistry international, Volume: 55, Issue: 6	2009
Vascular pathology in male Lewis rats following short-term, low-dose rotenone administration. Veterinary pathology, Volume: 46, Issue: 4	2009
Activation of mitochondrial ATP-sensitive potassium channels improves rotenone-related motor and neurochemical alterations in rats. The international journal of neuropsychopharmacology, Volume: 9, Issue: 1	2006
Sleep disturbances in the rotenone animal model of Parkinson disease. Brain research, May-03, Volume: 1042, Issue: 2	2005
Systematic administration of iptakalim, an ATP-sensitive potassium channel opener, prevents rotenone-induced motor and neurochemical alterations in rats. Journal of neuroscience research, May-01, Volume: 80, Issue: 3	2005
Behavioral and immunohistochemical effects of chronic intravenous and subcutaneous infusions of varying doses of rotenone. Experimental neurology, Volume: 187, Issue: 2	2004
Chronic administration of rotenone increases levels of nitric oxide and lipid peroxidation products in rat brain. Experimental neurology, Volume: 186, Issue: 2	2004
Increased striatal dopamine turnover following acute administration of rotenone to mice. Brain research, Dec-08, Volume: 885, Issue: 2	2000
[information is derived through text-mining from research data collected from National Library of Medicine (NLM), extracted Dec-2023]

Article	Year
Neuroprotective Effect of Quercetin in Combination with Piperine Against Rotenone- and Iron Supplement-Induced Parkinson's Disease in Experimental Rats. Neurotoxicity research, Volume: 37, Issue: 1	2020
[Synergistic Antitumor Effect of Amorphigenin Combined with Cisplatin in Human Lung Adenocarcinoma A549/DDP Cells]. Zhongguo fei ai za zhi = Chinese journal of lung cancer, Dec-20, Volume: 19, Issue: 12	2016
Prediction and identification of drug interactions with the human ATP-binding cassette transporter multidrug-resistance associated protein 2 (MRP2; ABCC2). Journal of medicinal chemistry, Jun-12, Volume: 51, Issue: 11	2008
Non-synaptic release of [3H]noradrenaline in response to oxidative stress combined with mitochondrial dysfunction in rat hippocampal slices. Neuroscience, Volume: 120, Issue: 3	2003
[information is derived through text-mining from research data collected from National Library of Medicine (NLM), extracted Dec-2023]

Article	Year
Limonene, a Monoterpene, Mitigates Rotenone-Induced Dopaminergic Neurodegeneration by Modulating Neuroinflammation, Hippo Signaling and Apoptosis in Rats. International journal of molecular sciences, Mar-09, Volume: 24, Issue: 6	2023
Rotenone: from modelling to implication in Parkinson's disease. Folia neuropathologica, Volume: 57, Issue: 4	2019
Chitosan-Ellagic Acid Nanohybrid for Mitigating Rotenone-induced Oxidative Stress. ACS applied materials & interfaces, Apr-22, Volume: 12, Issue: 16	2020
A novel look into estrogen receptor-negative breast cancer prevention with the natural, multifunctional signal transduction inhibitor deguelin. Cancer prevention research (Philadelphia, Pa.), Volume: 2, Issue: 11	2009
Fatality after deliberate ingestion of the pesticide rotenone: a case report. Critical care (London, England), Volume: 9, Issue: 3	2005
Rotenone-induced apoptosis is mediated by p38 and JNK MAP kinases in human dopaminergic SH-SY5Y cells. Toxicological sciences : an official journal of the Society of Toxicology, Volume: 79, Issue: 1	2004
[information is derived through text-mining from research data collected from National Library of Medicine (NLM), extracted Dec-2023]

rotenone

Description

Related Flora

Cross-References

Synonyms (204)

Research Excerpts

Overview

Effects

Actions

Treatment

Roles (6)

Drug Classes (2)

Pathways (6)

Protein Targets (112)

Potency Measurements

Inhibition Measurements

Biological Processes (231)

Molecular Functions (98)

Ceullar Components (58)

Bioassays (366)

Research

Studies (4,282)

Study Types

Related Drugs (4,757)

Related Conditions (2,490)

Research Highlights

Safety/Toxicity (243)

Long-term Use (24)

Pharmacokinetics (10)

Bioavailability (26)

Dosage (38)

Interactions (4)

Natural Sources (6)