khellin profile

Khellin: A vasodilator that also has bronchodilatory action. It has been employed in the treatment of angina pectoris, in the treatment of asthma, and in conjunction with ultraviolet light A, has been tried in the treatment of vitiligo. (From Martindale, The Extra Pharmacopoeia, 30th ed, p1024) [Medical Subject Headings (MeSH), National Library of Medicine, extracted Dec-2023]

khellin : A furanochrome in which the basic tricyclic skeleton is substituted at positions 4 and 9 with methoxy groups and at position 7 with a methyl group. A major constituent of the plant Ammi visnaga it is a herbal folk medicine used for various illnesses, its main effect being as a vasodilator. [Chemical Entities of Biological Interest (ChEBI), Hastings J, Owen G, Dekker A, Ennis M, Kale N, Muthukrishnan V, Turner S, Swainston N, Mendes P, Steinbeck C. (2016). ChEBI in 2016: Improved services and an expanding collection of metabolites. Nucleic Acids Res]

Related Flora

Flora	Rank	Flora Definition	Family	Family Definition
Visnaga	genus	[no description available]	Apiaceae	A large plant family in the order Apiales, also known as Umbelliferae. Most are aromatic herbs with alternate, feather-divided leaves that are sheathed at the base. The flowers often form a conspicuous flat-topped umbel. Each small individual flower is usually bisexual, with five sepals, five petals, and an enlarged disk at the base of the style. The fruits are ridged and are composed of two parts that split open at maturity.[MeSH]
Ammi	genus	A plant genus of the family APIACEAE that is the primary plant source of KHELLIN.[MeSH]	Apiaceae	A large plant family in the order Apiales, also known as Umbelliferae. Most are aromatic herbs with alternate, feather-divided leaves that are sheathed at the base. The flowers often form a conspicuous flat-topped umbel. Each small individual flower is usually bisexual, with five sepals, five petals, and an enlarged disk at the base of the style. The fruits are ridged and are composed of two parts that split open at maturity.[MeSH]

ID Source	ID
PubMed CID	3828
CHEMBL ID	44746
CHEBI ID	6133
SCHEMBL ID	9655
MeSH ID	M0012004

Synonym
MLS001076533
BRD-K80353807-001-06-3
BRD-K80353807-001-05-5
norkel
ammi-khellin
eskel
kelicorin
kellin
khell
cardio-khellin
coronin
kalangin
khellanals
kelicor
khelloyd
bi-kellina
kellosal
khelfren
5,7-furanochromone
amikellin
ammispasmin
4,8-dioxabenz-[f]indene
corafurone
viscardan
lynamine
benecardin
gynokhellan
ammicardine
chellin
khellamine
visammimix
nsc-8519
ammipuran
5h-furo[3, 4,9-dimethoxy-7-methyl-
simeskellina
visammin
kelourin
ammivisnagen
khellinorm
mefurina
kelincor
4,2-g]-1,2-chromene
amiptan
vismagen
khelisem
ammivin
viscardin
medekellin
amicardine
4,2-g][1]benzopyran
vasokellina
5,5'-furano-6,7-chromone
5,5'-furo-6,7-chromone
visnagen
kelamin
chorafurone
interkhellin
interkellin
khelangin
kellina
rykellin
keloid
nsc8519 ,
4,2-g][1]benzopyran-5-one
methafrone
wln: t c566 do jv moj bo1 ho1 l1
visnagalin
nsc-37744
nsc25509
nsc-25509
KBIO1_000046
DIVK1C_000046
SDCCGMLS-0003040.P003
SPECTRUM_000079
IDI1_000046
SPECTRUM5_000154
ACON0_000983
4,9-dimethoxy-7-methyl-5-oxofuro(3,2-g)-1,2-chromene
nsc 25509
brn 0263185
5,8-dimethoxy-2-methyl-4',5'-furo-6,7-chromone
5h-furo(3,2-g)(1)benzopyran-5-one, 4,9-dimethoxy-7-methyl-
5,8-dimethoxy-2-methyl-6,7-furanochromone
khelline [inn-french]
4,9-dimethoxy-7-methyl-5-oxofuro(3,2-g)(1)benzopyran
khelline i
ai3-52114
5,8-dimethoxy-2-methyl-4',5'-furano-6,7-chromone
chellina [italian]
benekardin
khellin [inn:dcf]
4,9-dimethoxy-7-methyl-5-oxo-1,8-dioxabenz-(f)indene
quelina [inn-spanish]
khellinum [inn-latin]
einecs 201-392-8
it-033
4,9-dimethoxy-7-methyl-5h-furo(3,2-g)(1)benzopyran-5-one
nsc 37744
PRESTWICK_287
NCGC00016327-01
cas-82-02-0
PRESTWICK3_000091
ACON1_000350
BSPBIO_002287
BSPBIO_000042
BPBIO1_000048
MEGXP0_000331
4,9-dimethoxy-7-methyl-furo[3,2-g]chromen-5-one
4,9-dimethoxy-7-methyl-5h-furo[3,2-g]-[1]benzopyran-5-one
NSC37744 ,
C09010
khellin
82-02-0
PRESTWICK2_000091
NCGC00023424-04
NCGC00023424-03
smr000058278
MLS000028448 ,
KBIO2_005615
KBIO2_003047
KBIO2_000479
KBIOGR_002054
KBIOSS_000479
KBIO3_001507
NINDS_000046
SPBIO_001981
PRESTWICK1_000091
SPECTRUM4_001557
SPBIO_000466
SPECTRUM2_000593
SPECTRUM3_000654
PRESTWICK0_000091
SPECTRUM210866
NCGC00169160-02
NCGC00169160-01
NCGC00169160-03
NCGC00016327-02
K-3400
LMPK13110001
hsmpdpbyaysobc-uhfffaoysa-
inchi=1/c14h12o5/c1-7-6-9(15)10-11(16-2)8-4-5-18-12(8)14(17-3)13(10)19-7/h4-6h,1-3h3
CHEMBL44746
chebi:6133 ,
HMS500C08
khellinum
5h-furo[3,2-g][1]benzopyran-5-one, 4,9-dimethoxy-7-methyl-
chellina
quelina
khelline
BMSE000751
K0039
4,9-dimethoxy-7-methyl-5h-furo[3,2-g][1]benzopyran-5-one
HMS1923M07
HMS1568C04
4,9-dimethoxy-7-methylfuro[3,2-g]chromen-5-one
AKOS002281934
HMS2095C04
5,9-dimethoxy-2-methylfurano[3,2-g]chromen-4-one
4,9-dimethoxy-7-methylpyrano[3,2-f][1]benzoxol-5-one
nsc755826
nsc-755826
pharmakon1600-00210866
dtxcid7025267
tox21_110374
dtxsid9045267 ,
HMS2230B16
CCG-36453
NCGC00016327-08
NCGC00016327-07
NCGC00016327-03
NCGC00016327-06
NCGC00016327-04
NCGC00016327-05
NCGC00016327-09
5g117t0tjz ,
unii-5g117t0tjz
5-19-06-00320 (beilstein handbook reference)
FT-0627578
S5887
HMS3371C21
4,9-dimethoxy-7-methyl-5h-furo[3,2-g]chromen-5-one
SCHEMBL9655
NCGC00016327-11
tox21_110374_1
khellin [inn]
khellin [mart.]
khellin [mi]
khellin [who-dd]
gynokhellin
4,9-dimethoxy-7-methyl-5h-furo[3,2-g]chromen-5-one #
hkelfren
intercellin
OPERA_ID_372
AB00052134_16
mfcd00005007
sr-01000000072
SR-01000000072-6
khellin, analytical standard
khellin, for microscopy
CS-0013121
HY-B1394
bdbm50480260
SR-01000000072-4
SR-01000000072-3
SR-01000000072-5
SBI-0051567.P002
HMS3712C04
AS-35307
Q2079998
BRD-K80353807-001-16-2
STL561007
khellin (mart.)
4,9-dimethoxy-7-methyl-5h-furo(3,2-g)chromen-5-one
kelina
SY051635

Excerpt	Reference
"Khellin is a furanochromone photosensitizer whose chemical structure is close to psoralens and has previously proven its efficacy in vitiligo in association with ultraviolet A."	( Fenniche, S; Hammami, H; Zaouak, A, 2018)
"Khellin is a naturally occurring furochromone which, when combined with artificial ultraviolet (UV) A or solar irradiation (KUVA), is reported to repigment vitiligo skin as effectively as PUVA photochemotherapy. "	( Carlie, G; Hulley, PA; Kidson, SH; Ntusi, NB, 2003)

Excerpt	Reference
"Khellin has phototherapeutic properties that are similar to those of the psoralens, but with substantially lower phototoxic effects and DNA mutation effects."	( Assen, YJ; Bjerring, P; de Leeuw, J; Martino Neumann, HA; van der Beek, N, 2011)

Role	Description
vasodilator agent	A drug used to cause dilation of the blood vessels.
bronchodilator agent	An agent that causes an increase in the expansion of a bronchus or bronchial tubes.
anti-asthmatic agent	Any compound that has anti-asthmatic effects.
cardiovascular drug	A drug that affects the rate or intensity of cardiac contraction, blood vessel diameter or blood volume.
[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 heterotricyclic compound	An organic tricyclic compound in which at least one of the rings of the tricyclic skeleton contains one or more heteroatoms.
oxacycle	Any organic heterocyclic compound containing at least one ring oxygen atom.
furanochromone	An organic heterotricyclic compound that is chromone which is ortho-fused to a furan ring and its substituted derivatives thereof.
[compound class information is derived from Chemical Entities of Biological Interest (ChEBI), Hastings J, Owen G, Dekker A, Ennis M, Kale N, Muthukrishnan V, Turner S, Swainston N, Mendes P, Steinbeck C. (2016). ChEBI in 2016: Improved services and an expanding collection of metabolites. Nucleic Acids Res]

Protein	Taxonomy	Measurement	Average (µ)	Min (ref.)	Avg (ref.)	Max (ref.)	Bioassay(s)
Chain A, MAJOR APURINIC/APYRIMIDINIC ENDONUCLEASE	Homo sapiens (human)	Potency	0.8913	0.0032	45.4673	12,589.2998	AID2517
glp-1 receptor, partial	Homo sapiens (human)	Potency	11.2202	0.0184	6.8060	14.1254	AID624417
USP1 protein, partial	Homo sapiens (human)	Potency	39.8107	0.0316	37.5844	354.8130	AID504865
GALC protein	Homo sapiens (human)	Potency	0.6310	28.1838	28.1838	28.1838	AID1159614
TDP1 protein	Homo sapiens (human)	Potency	12.1267	0.0008	11.3822	44.6684	AID686978; AID686979
GLI family zinc finger 3	Homo sapiens (human)	Potency	8.1322	0.0007	14.5928	83.7951	AID1259369; AID1259392
aldehyde dehydrogenase 1 family, member A1	Homo sapiens (human)	Potency	0.0089	0.0112	12.4002	100.0000	AID1030
nuclear receptor subfamily 1, group I, member 3	Homo sapiens (human)	Potency	5.4027	0.0010	22.6508	76.6163	AID1224838; AID1224839; AID1224893
cytochrome P450 family 3 subfamily A polypeptide 4	Homo sapiens (human)	Potency	9.7717	0.0123	7.9835	43.2770	AID1645841
G	Vesicular stomatitis virus	Potency	10.9640	0.0123	8.9648	39.8107	AID1645842
cytochrome P450 2D6	Homo sapiens (human)	Potency	15.4871	0.0010	8.3798	61.1304	AID1645840
aryl hydrocarbon receptor	Homo sapiens (human)	Potency	0.0948	0.0007	23.0674	1,258.9301	AID743085; AID743122
cytochrome P450 2D6 isoform 1	Homo sapiens (human)	Potency	10.0000	0.0020	7.5337	39.8107	AID891
cytochrome P450 2C19 precursor	Homo sapiens (human)	Potency	5.0119	0.0025	5.8400	31.6228	AID899
15-hydroxyprostaglandin dehydrogenase [NAD(+)] isoform 1	Homo sapiens (human)	Potency	21.1546	0.0018	15.6638	39.8107	AID894
importin subunit beta-1 isoform 1	Homo sapiens (human)	Potency	20.5962	5.8048	36.1306	65.1308	AID540253
mitogen-activated protein kinase 1	Homo sapiens (human)	Potency	25.1189	0.0398	16.7842	39.8107	AID995
snurportin-1	Homo sapiens (human)	Potency	20.5962	5.8048	36.1306	65.1308	AID540253
GTP-binding nuclear protein Ran isoform 1	Homo sapiens (human)	Potency	20.5962	5.8048	16.9962	25.9290	AID540253
peripheral myelin protein 22	Rattus norvegicus (Norway rat)	Potency	5.4897	0.0056	12.3677	36.1254	AID624032
survival motor neuron protein isoform d	Homo sapiens (human)	Potency	1.2589	0.1259	12.2344	35.4813	AID1458
cytochrome P450 3A4 isoform 1	Homo sapiens (human)	Potency	7.5059	0.0316	10.2792	39.8107	AID884; AID885
histone acetyltransferase KAT2A isoform 1	Homo sapiens (human)	Potency	0.3162	0.2512	15.8432	39.8107	AID504327
Gamma-aminobutyric acid receptor subunit pi	Rattus norvegicus (Norway rat)	Potency	7.5059	1.0000	12.2248	31.6228	AID885
Interferon beta	Homo sapiens (human)	Potency	10.9640	0.0033	9.1582	39.8107	AID1645842
HLA class I histocompatibility antigen, B alpha chain	Homo sapiens (human)	Potency	10.9640	0.0123	8.9648	39.8107	AID1645842
Cellular tumor antigen p53	Homo sapiens (human)	Potency	7.1669	0.0023	19.5956	74.0614	AID651631
Gamma-aminobutyric acid receptor subunit beta-1	Rattus norvegicus (Norway rat)	Potency	7.5059	1.0000	12.2248	31.6228	AID885
Gamma-aminobutyric acid receptor subunit delta	Rattus norvegicus (Norway rat)	Potency	7.5059	1.0000	12.2248	31.6228	AID885
Gamma-aminobutyric acid receptor subunit gamma-2	Rattus norvegicus (Norway rat)	Potency	7.5059	1.0000	12.2248	31.6228	AID885
Gamma-aminobutyric acid receptor subunit alpha-5	Rattus norvegicus (Norway rat)	Potency	7.5059	1.0000	12.2248	31.6228	AID885
Gamma-aminobutyric acid receptor subunit alpha-3	Rattus norvegicus (Norway rat)	Potency	7.5059	1.0000	12.2248	31.6228	AID885
Gamma-aminobutyric acid receptor subunit gamma-1	Rattus norvegicus (Norway rat)	Potency	7.5059	1.0000	12.2248	31.6228	AID885
Gamma-aminobutyric acid receptor subunit alpha-2	Rattus norvegicus (Norway rat)	Potency	7.5059	1.0000	12.2248	31.6228	AID885
Gamma-aminobutyric acid receptor subunit alpha-4	Rattus norvegicus (Norway rat)	Potency	7.5059	1.0000	12.2248	31.6228	AID885
Gamma-aminobutyric acid receptor subunit gamma-3	Rattus norvegicus (Norway rat)	Potency	7.5059	1.0000	12.2248	31.6228	AID885
Gamma-aminobutyric acid receptor subunit alpha-6	Rattus norvegicus (Norway rat)	Potency	7.5059	1.0000	12.2248	31.6228	AID885
Gamma-aminobutyric acid receptor subunit alpha-1	Rattus norvegicus (Norway rat)	Potency	7.5059	1.0000	12.2248	31.6228	AID885
Gamma-aminobutyric acid receptor subunit beta-3	Rattus norvegicus (Norway rat)	Potency	7.5059	1.0000	12.2248	31.6228	AID885
Gamma-aminobutyric acid receptor subunit beta-2	Rattus norvegicus (Norway rat)	Potency	7.5059	1.0000	12.2248	31.6228	AID885
GABA theta subunit	Rattus norvegicus (Norway rat)	Potency	7.5059	1.0000	12.2248	31.6228	AID885
Inositol hexakisphosphate kinase 1	Homo sapiens (human)	Potency	10.9640	0.0123	8.9648	39.8107	AID1645842
Gamma-aminobutyric acid receptor subunit epsilon	Rattus norvegicus (Norway rat)	Potency	7.5059	1.0000	12.2248	31.6228	AID885
cytochrome P450 2C9, partial	Homo sapiens (human)	Potency	10.9640	0.0123	8.9648	39.8107	AID1645842
[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)
Cytochrome P450 1A1	Homo sapiens (human)	IC50 (µMol)	4.0200	0.0079	1.2478	9.9000	AID1411739
Cytochrome P450 1A1	Homo sapiens (human)	Ki	3.8000	0.0120	0.9469	3.8000	AID1411739
Cytochrome P450 1A2	Homo sapiens (human)	IC50 (µMol)	0.0400	0.0001	1.7740	10.0000	AID1411740
Cytochrome P450 1A2	Homo sapiens (human)	Ki	0.0310	0.0056	1.1534	9.0000	AID1411740
Cytochrome P450 3A4	Homo sapiens (human)	IC50 (µMol)	10.0000	0.0001	1.7536	10.0000	AID1411745
Cytochrome P450 2D6	Homo sapiens (human)	IC50 (µMol)	10.0000	0.0000	2.0151	10.0000	AID1411742
Cytochrome P450 2C9	Homo sapiens (human)	IC50 (µMol)	10.0000	0.0000	2.8005	10.0000	AID1411743
Cytochrome P450 2C19	Homo sapiens (human)	IC50 (µMol)	10.0000	0.0000	2.3983	10.0000	AID1411744
Cytochrome P450 1B1	Homo sapiens (human)	IC50 (µMol)	34.6000	0.0013	0.8696	9.9000	AID1411741
[prepared from compound, protein, and bioassay information from National Library of Medicine (NLM), extracted Dec-2023]

Process	via Protein(s)	Taxonomy
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)
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)
cellular response to organic cyclic compound	Cytochrome P450 1A1	Homo sapiens (human)
response to hypoxia	Cytochrome P450 1A1	Homo sapiens (human)
long-chain fatty acid metabolic process	Cytochrome P450 1A1	Homo sapiens (human)
lipid hydroxylation	Cytochrome P450 1A1	Homo sapiens (human)
fatty acid metabolic process	Cytochrome P450 1A1	Homo sapiens (human)
steroid biosynthetic process	Cytochrome P450 1A1	Homo sapiens (human)
porphyrin-containing compound metabolic process	Cytochrome P450 1A1	Homo sapiens (human)
xenobiotic metabolic process	Cytochrome P450 1A1	Homo sapiens (human)
steroid metabolic process	Cytochrome P450 1A1	Homo sapiens (human)
estrogen metabolic process	Cytochrome P450 1A1	Homo sapiens (human)
amine metabolic process	Cytochrome P450 1A1	Homo sapiens (human)
response to nematode	Cytochrome P450 1A1	Homo sapiens (human)
response to herbicide	Cytochrome P450 1A1	Homo sapiens (human)
ethylene metabolic process	Cytochrome P450 1A1	Homo sapiens (human)
coumarin metabolic process	Cytochrome P450 1A1	Homo sapiens (human)
flavonoid metabolic process	Cytochrome P450 1A1	Homo sapiens (human)
response to iron(III) ion	Cytochrome P450 1A1	Homo sapiens (human)
insecticide metabolic process	Cytochrome P450 1A1	Homo sapiens (human)
dibenzo-p-dioxin catabolic process	Cytochrome P450 1A1	Homo sapiens (human)
epoxygenase P450 pathway	Cytochrome P450 1A1	Homo sapiens (human)
response to food	Cytochrome P450 1A1	Homo sapiens (human)
response to lipopolysaccharide	Cytochrome P450 1A1	Homo sapiens (human)
response to vitamin A	Cytochrome P450 1A1	Homo sapiens (human)
response to immobilization stress	Cytochrome P450 1A1	Homo sapiens (human)
vitamin D metabolic process	Cytochrome P450 1A1	Homo sapiens (human)
retinol metabolic process	Cytochrome P450 1A1	Homo sapiens (human)
long-chain fatty acid biosynthetic process	Cytochrome P450 1A1	Homo sapiens (human)
9-cis-retinoic acid biosynthetic process	Cytochrome P450 1A1	Homo sapiens (human)
camera-type eye development	Cytochrome P450 1A1	Homo sapiens (human)
nitric oxide metabolic process	Cytochrome P450 1A1	Homo sapiens (human)
response to arsenic-containing substance	Cytochrome P450 1A1	Homo sapiens (human)
digestive tract development	Cytochrome P450 1A1	Homo sapiens (human)
tissue remodeling	Cytochrome P450 1A1	Homo sapiens (human)
hydrogen peroxide biosynthetic process	Cytochrome P450 1A1	Homo sapiens (human)
response to hyperoxia	Cytochrome P450 1A1	Homo sapiens (human)
maternal process involved in parturition	Cytochrome P450 1A1	Homo sapiens (human)
hepatocyte differentiation	Cytochrome P450 1A1	Homo sapiens (human)
cellular response to copper ion	Cytochrome P450 1A1	Homo sapiens (human)
omega-hydroxylase P450 pathway	Cytochrome P450 1A1	Homo sapiens (human)
positive regulation of G1/S transition of mitotic cell cycle	Cytochrome P450 1A1	Homo sapiens (human)
response to 3-methylcholanthrene	Cytochrome P450 1A1	Homo sapiens (human)
steroid catabolic process	Cytochrome P450 1A2	Homo sapiens (human)
porphyrin-containing compound metabolic process	Cytochrome P450 1A2	Homo sapiens (human)
xenobiotic metabolic process	Cytochrome P450 1A2	Homo sapiens (human)
cholesterol metabolic process	Cytochrome P450 1A2	Homo sapiens (human)
estrogen metabolic process	Cytochrome P450 1A2	Homo sapiens (human)
toxin biosynthetic process	Cytochrome P450 1A2	Homo sapiens (human)
post-embryonic development	Cytochrome P450 1A2	Homo sapiens (human)
alkaloid metabolic process	Cytochrome P450 1A2	Homo sapiens (human)
regulation of gene expression	Cytochrome P450 1A2	Homo sapiens (human)
monoterpenoid metabolic process	Cytochrome P450 1A2	Homo sapiens (human)
dibenzo-p-dioxin metabolic process	Cytochrome P450 1A2	Homo sapiens (human)
epoxygenase P450 pathway	Cytochrome P450 1A2	Homo sapiens (human)
lung development	Cytochrome P450 1A2	Homo sapiens (human)
methylation	Cytochrome P450 1A2	Homo sapiens (human)
monocarboxylic acid metabolic process	Cytochrome P450 1A2	Homo sapiens (human)
xenobiotic catabolic process	Cytochrome P450 1A2	Homo sapiens (human)
retinol metabolic process	Cytochrome P450 1A2	Homo sapiens (human)
long-chain fatty acid biosynthetic process	Cytochrome P450 1A2	Homo sapiens (human)
cellular respiration	Cytochrome P450 1A2	Homo sapiens (human)
aflatoxin metabolic process	Cytochrome P450 1A2	Homo sapiens (human)
hydrogen peroxide biosynthetic process	Cytochrome P450 1A2	Homo sapiens (human)
oxidative demethylation	Cytochrome P450 1A2	Homo sapiens (human)
cellular response to cadmium ion	Cytochrome P450 1A2	Homo sapiens (human)
omega-hydroxylase P450 pathway	Cytochrome P450 1A2	Homo sapiens (human)
lipid hydroxylation	Cytochrome P450 3A4	Homo sapiens (human)
lipid metabolic process	Cytochrome P450 3A4	Homo sapiens (human)
steroid catabolic process	Cytochrome P450 3A4	Homo sapiens (human)
xenobiotic metabolic process	Cytochrome P450 3A4	Homo sapiens (human)
steroid metabolic process	Cytochrome P450 3A4	Homo sapiens (human)
cholesterol metabolic process	Cytochrome P450 3A4	Homo sapiens (human)
androgen metabolic process	Cytochrome P450 3A4	Homo sapiens (human)
estrogen metabolic process	Cytochrome P450 3A4	Homo sapiens (human)
alkaloid catabolic process	Cytochrome P450 3A4	Homo sapiens (human)
monoterpenoid metabolic process	Cytochrome P450 3A4	Homo sapiens (human)
calcitriol biosynthetic process from calciol	Cytochrome P450 3A4	Homo sapiens (human)
xenobiotic catabolic process	Cytochrome P450 3A4	Homo sapiens (human)
vitamin D metabolic process	Cytochrome P450 3A4	Homo sapiens (human)
vitamin D catabolic process	Cytochrome P450 3A4	Homo sapiens (human)
retinol metabolic process	Cytochrome P450 3A4	Homo sapiens (human)
retinoic acid metabolic process	Cytochrome P450 3A4	Homo sapiens (human)
long-chain fatty acid biosynthetic process	Cytochrome P450 3A4	Homo sapiens (human)
aflatoxin metabolic process	Cytochrome P450 3A4	Homo sapiens (human)
oxidative demethylation	Cytochrome P450 3A4	Homo sapiens (human)
xenobiotic metabolic process	Cytochrome P450 2D6	Homo sapiens (human)
steroid metabolic process	Cytochrome P450 2D6	Homo sapiens (human)
cholesterol metabolic process	Cytochrome P450 2D6	Homo sapiens (human)
estrogen metabolic process	Cytochrome P450 2D6	Homo sapiens (human)
coumarin metabolic process	Cytochrome P450 2D6	Homo sapiens (human)
alkaloid metabolic process	Cytochrome P450 2D6	Homo sapiens (human)
alkaloid catabolic process	Cytochrome P450 2D6	Homo sapiens (human)
monoterpenoid metabolic process	Cytochrome P450 2D6	Homo sapiens (human)
isoquinoline alkaloid metabolic process	Cytochrome P450 2D6	Homo sapiens (human)
xenobiotic catabolic process	Cytochrome P450 2D6	Homo sapiens (human)
retinol metabolic process	Cytochrome P450 2D6	Homo sapiens (human)
long-chain fatty acid biosynthetic process	Cytochrome P450 2D6	Homo sapiens (human)
negative regulation of binding	Cytochrome P450 2D6	Homo sapiens (human)
oxidative demethylation	Cytochrome P450 2D6	Homo sapiens (human)
negative regulation of cellular organofluorine metabolic process	Cytochrome P450 2D6	Homo sapiens (human)
arachidonic acid metabolic process	Cytochrome P450 2D6	Homo sapiens (human)
xenobiotic metabolic process	Cytochrome P450 2C9	Homo sapiens (human)
steroid metabolic process	Cytochrome P450 2C9	Homo sapiens (human)
cholesterol metabolic process	Cytochrome P450 2C9	Homo sapiens (human)
estrogen metabolic process	Cytochrome P450 2C9	Homo sapiens (human)
monoterpenoid metabolic process	Cytochrome P450 2C9	Homo sapiens (human)
epoxygenase P450 pathway	Cytochrome P450 2C9	Homo sapiens (human)
urea metabolic process	Cytochrome P450 2C9	Homo sapiens (human)
monocarboxylic acid metabolic process	Cytochrome P450 2C9	Homo sapiens (human)
xenobiotic catabolic process	Cytochrome P450 2C9	Homo sapiens (human)
long-chain fatty acid biosynthetic process	Cytochrome P450 2C9	Homo sapiens (human)
amide metabolic process	Cytochrome P450 2C9	Homo sapiens (human)
icosanoid biosynthetic process	Cytochrome P450 2C9	Homo sapiens (human)
oxidative demethylation	Cytochrome P450 2C9	Homo sapiens (human)
omega-hydroxylase P450 pathway	Cytochrome P450 2C9	Homo sapiens (human)
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)
cellular response to organic cyclic compound	Cytochrome P450 1B1	Homo sapiens (human)
angiogenesis	Cytochrome P450 1B1	Homo sapiens (human)
trabecular meshwork development	Cytochrome P450 1B1	Homo sapiens (human)
DNA modification	Cytochrome P450 1B1	Homo sapiens (human)
xenobiotic metabolic process	Cytochrome P450 1B1	Homo sapiens (human)
nitric oxide biosynthetic process	Cytochrome P450 1B1	Homo sapiens (human)
cell adhesion	Cytochrome P450 1B1	Homo sapiens (human)
response to nutrient	Cytochrome P450 1B1	Homo sapiens (human)
steroid metabolic process	Cytochrome P450 1B1	Homo sapiens (human)
estrogen metabolic process	Cytochrome P450 1B1	Homo sapiens (human)
negative regulation of cell population proliferation	Cytochrome P450 1B1	Homo sapiens (human)
male gonad development	Cytochrome P450 1B1	Homo sapiens (human)
intrinsic apoptotic signaling pathway in response to oxidative stress	Cytochrome P450 1B1	Homo sapiens (human)
toxin metabolic process	Cytochrome P450 1B1	Homo sapiens (human)
positive regulation of vascular endothelial growth factor production	Cytochrome P450 1B1	Homo sapiens (human)
positive regulation of smooth muscle cell migration	Cytochrome P450 1B1	Homo sapiens (human)
sterol metabolic process	Cytochrome P450 1B1	Homo sapiens (human)
arachidonic acid metabolic process	Cytochrome P450 1B1	Homo sapiens (human)
epoxygenase P450 pathway	Cytochrome P450 1B1	Homo sapiens (human)
collagen fibril organization	Cytochrome P450 1B1	Homo sapiens (human)
adrenal gland development	Cytochrome P450 1B1	Homo sapiens (human)
negative regulation of cell migration	Cytochrome P450 1B1	Homo sapiens (human)
negative regulation of NF-kappaB transcription factor activity	Cytochrome P450 1B1	Homo sapiens (human)
response to follicle-stimulating hormone	Cytochrome P450 1B1	Homo sapiens (human)
response to estradiol	Cytochrome P450 1B1	Homo sapiens (human)
negative regulation of cell adhesion mediated by integrin	Cytochrome P450 1B1	Homo sapiens (human)
benzene-containing compound metabolic process	Cytochrome P450 1B1	Homo sapiens (human)
retinol metabolic process	Cytochrome P450 1B1	Homo sapiens (human)
retinal metabolic process	Cytochrome P450 1B1	Homo sapiens (human)
positive regulation of apoptotic process	Cytochrome P450 1B1	Homo sapiens (human)
blood vessel endothelial cell migration	Cytochrome P450 1B1	Homo sapiens (human)
endothelial cell migration	Cytochrome P450 1B1	Homo sapiens (human)
estrous cycle	Cytochrome P450 1B1	Homo sapiens (human)
positive regulation of translation	Cytochrome P450 1B1	Homo sapiens (human)
positive regulation of angiogenesis	Cytochrome P450 1B1	Homo sapiens (human)
positive regulation of receptor signaling pathway via JAK-STAT	Cytochrome P450 1B1	Homo sapiens (human)
membrane lipid catabolic process	Cytochrome P450 1B1	Homo sapiens (human)
response to arsenic-containing substance	Cytochrome P450 1B1	Homo sapiens (human)
blood vessel morphogenesis	Cytochrome P450 1B1	Homo sapiens (human)
retinal blood vessel morphogenesis	Cytochrome P450 1B1	Homo sapiens (human)
ganglion development	Cytochrome P450 1B1	Homo sapiens (human)
cellular response to hydrogen peroxide	Cytochrome P450 1B1	Homo sapiens (human)
cellular response to cAMP	Cytochrome P450 1B1	Homo sapiens (human)
cellular response to tumor necrosis factor	Cytochrome P450 1B1	Homo sapiens (human)
cellular response to luteinizing hormone stimulus	Cytochrome P450 1B1	Homo sapiens (human)
cellular response to cortisol stimulus	Cytochrome P450 1B1	Homo sapiens (human)
cellular response to progesterone stimulus	Cytochrome P450 1B1	Homo sapiens (human)
response to dexamethasone	Cytochrome P450 1B1	Homo sapiens (human)
endothelial cell-cell adhesion	Cytochrome P450 1B1	Homo sapiens (human)
response to indole-3-methanol	Cytochrome P450 1B1	Homo sapiens (human)
cellular response to toxic substance	Cytochrome P450 1B1	Homo sapiens (human)
omega-hydroxylase P450 pathway	Cytochrome P450 1B1	Homo sapiens (human)
response to 3-methylcholanthrene	Cytochrome P450 1B1	Homo sapiens (human)
regulation of reactive oxygen species metabolic process	Cytochrome P450 1B1	Homo sapiens (human)
positive regulation of reactive oxygen species metabolic process	Cytochrome P450 1B1	Homo sapiens (human)
positive regulation of DNA biosynthetic process	Cytochrome P450 1B1	Homo sapiens (human)
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)
[Information is prepared from geneontology information from the June-17-2024 release]

Process	via Protein(s)	Taxonomy
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)
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)
monooxygenase activity	Cytochrome P450 1A1	Homo sapiens (human)
iron ion binding	Cytochrome P450 1A1	Homo sapiens (human)
protein binding	Cytochrome P450 1A1	Homo sapiens (human)
arachidonic acid monooxygenase activity	Cytochrome P450 1A1	Homo sapiens (human)
oxidoreductase activity	Cytochrome P450 1A1	Homo sapiens (human)
oxidoreductase activity, acting on diphenols and related substances as donors	Cytochrome P450 1A1	Homo sapiens (human)
flavonoid 3'-monooxygenase activity	Cytochrome P450 1A1	Homo sapiens (human)
oxygen binding	Cytochrome P450 1A1	Homo sapiens (human)
enzyme binding	Cytochrome P450 1A1	Homo sapiens (human)
heme binding	Cytochrome P450 1A1	Homo sapiens (human)
Hsp70 protein binding	Cytochrome P450 1A1	Homo sapiens (human)
demethylase activity	Cytochrome P450 1A1	Homo sapiens (human)
Hsp90 protein binding	Cytochrome P450 1A1	Homo sapiens (human)
aromatase activity	Cytochrome P450 1A1	Homo sapiens (human)
vitamin D 24-hydroxylase activity	Cytochrome P450 1A1	Homo sapiens (human)
estrogen 16-alpha-hydroxylase activity	Cytochrome P450 1A1	Homo sapiens (human)
estrogen 2-hydroxylase activity	Cytochrome P450 1A1	Homo sapiens (human)
long-chain fatty acid omega-hydroxylase activity	Cytochrome P450 1A1	Homo sapiens (human)
hydroperoxy icosatetraenoate dehydratase activity	Cytochrome P450 1A1	Homo sapiens (human)
long-chain fatty acid omega-1 hydroxylase activity	Cytochrome P450 1A1	Homo sapiens (human)
monooxygenase activity	Cytochrome P450 1A2	Homo sapiens (human)
iron ion binding	Cytochrome P450 1A2	Homo sapiens (human)
protein binding	Cytochrome P450 1A2	Homo sapiens (human)
electron transfer activity	Cytochrome P450 1A2	Homo sapiens (human)
oxidoreductase activity	Cytochrome P450 1A2	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 1A2	Homo sapiens (human)
enzyme binding	Cytochrome P450 1A2	Homo sapiens (human)
heme binding	Cytochrome P450 1A2	Homo sapiens (human)
demethylase activity	Cytochrome P450 1A2	Homo sapiens (human)
caffeine oxidase activity	Cytochrome P450 1A2	Homo sapiens (human)
aromatase activity	Cytochrome P450 1A2	Homo sapiens (human)
estrogen 16-alpha-hydroxylase activity	Cytochrome P450 1A2	Homo sapiens (human)
estrogen 2-hydroxylase activity	Cytochrome P450 1A2	Homo sapiens (human)
hydroperoxy icosatetraenoate dehydratase activity	Cytochrome P450 1A2	Homo sapiens (human)
monooxygenase activity	Cytochrome P450 3A4	Homo sapiens (human)
steroid binding	Cytochrome P450 3A4	Homo sapiens (human)
iron ion binding	Cytochrome P450 3A4	Homo sapiens (human)
protein binding	Cytochrome P450 3A4	Homo sapiens (human)
steroid hydroxylase activity	Cytochrome P450 3A4	Homo sapiens (human)
retinoic acid 4-hydroxylase activity	Cytochrome P450 3A4	Homo sapiens (human)
oxidoreductase activity	Cytochrome P450 3A4	Homo sapiens (human)
oxygen binding	Cytochrome P450 3A4	Homo sapiens (human)
enzyme binding	Cytochrome P450 3A4	Homo sapiens (human)
heme binding	Cytochrome P450 3A4	Homo sapiens (human)
vitamin D3 25-hydroxylase activity	Cytochrome P450 3A4	Homo sapiens (human)
caffeine oxidase activity	Cytochrome P450 3A4	Homo sapiens (human)
quinine 3-monooxygenase activity	Cytochrome P450 3A4	Homo sapiens (human)
testosterone 6-beta-hydroxylase activity	Cytochrome P450 3A4	Homo sapiens (human)
1-alpha,25-dihydroxyvitamin D3 23-hydroxylase activity	Cytochrome P450 3A4	Homo sapiens (human)
anandamide 8,9 epoxidase activity	Cytochrome P450 3A4	Homo sapiens (human)
anandamide 11,12 epoxidase activity	Cytochrome P450 3A4	Homo sapiens (human)
anandamide 14,15 epoxidase activity	Cytochrome P450 3A4	Homo sapiens (human)
aromatase activity	Cytochrome P450 3A4	Homo sapiens (human)
vitamin D 24-hydroxylase activity	Cytochrome P450 3A4	Homo sapiens (human)
estrogen 16-alpha-hydroxylase activity	Cytochrome P450 3A4	Homo sapiens (human)
estrogen 2-hydroxylase activity	Cytochrome P450 3A4	Homo sapiens (human)
1,8-cineole 2-exo-monooxygenase activity	Cytochrome P450 3A4	Homo sapiens (human)
monooxygenase activity	Cytochrome P450 2D6	Homo sapiens (human)
iron ion binding	Cytochrome P450 2D6	Homo sapiens (human)
oxidoreductase activity	Cytochrome P450 2D6	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 2D6	Homo sapiens (human)
heme binding	Cytochrome P450 2D6	Homo sapiens (human)
anandamide 8,9 epoxidase activity	Cytochrome P450 2D6	Homo sapiens (human)
anandamide 11,12 epoxidase activity	Cytochrome P450 2D6	Homo sapiens (human)
anandamide 14,15 epoxidase activity	Cytochrome P450 2D6	Homo sapiens (human)
monooxygenase activity	Cytochrome P450 2C9	Homo sapiens (human)
iron ion binding	Cytochrome P450 2C9	Homo sapiens (human)
arachidonic acid epoxygenase activity	Cytochrome P450 2C9	Homo sapiens (human)
steroid hydroxylase activity	Cytochrome P450 2C9	Homo sapiens (human)
arachidonic acid 14,15-epoxygenase activity	Cytochrome P450 2C9	Homo sapiens (human)
arachidonic acid 11,12-epoxygenase activity	Cytochrome P450 2C9	Homo sapiens (human)
oxidoreductase activity	Cytochrome P450 2C9	Homo sapiens (human)
(S)-limonene 6-monooxygenase activity	Cytochrome P450 2C9	Homo sapiens (human)
(S)-limonene 7-monooxygenase activity	Cytochrome P450 2C9	Homo sapiens (human)
caffeine oxidase activity	Cytochrome P450 2C9	Homo sapiens (human)
(R)-limonene 6-monooxygenase activity	Cytochrome P450 2C9	Homo sapiens (human)
aromatase activity	Cytochrome P450 2C9	Homo sapiens (human)
heme binding	Cytochrome P450 2C9	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 2C9	Homo sapiens (human)
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)
monooxygenase activity	Cytochrome P450 1B1	Homo sapiens (human)
iron ion binding	Cytochrome P450 1B1	Homo sapiens (human)
protein binding	Cytochrome P450 1B1	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 1B1	Homo sapiens (human)
heme binding	Cytochrome P450 1B1	Homo sapiens (human)
aromatase activity	Cytochrome P450 1B1	Homo sapiens (human)
estrogen 16-alpha-hydroxylase activity	Cytochrome P450 1B1	Homo sapiens (human)
hydroperoxy icosatetraenoate dehydratase activity	Cytochrome P450 1B1	Homo sapiens (human)
oxidoreductase activity, acting on paired donors, with incorporation or reduction of molecular oxygen, NAD(P)H as one donor, and incorporation of one atom of oxygen	Cytochrome P450 1B1	Homo sapiens (human)
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)
[Information is prepared from geneontology information from the June-17-2024 release]

Process	via Protein(s)	Taxonomy
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)
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)
mitochondrial inner membrane	Cytochrome P450 1A1	Homo sapiens (human)
endoplasmic reticulum membrane	Cytochrome P450 1A1	Homo sapiens (human)
intracellular membrane-bounded organelle	Cytochrome P450 1A1	Homo sapiens (human)
endoplasmic reticulum membrane	Cytochrome P450 1A2	Homo sapiens (human)
intracellular membrane-bounded organelle	Cytochrome P450 1A2	Homo sapiens (human)
intracellular membrane-bounded organelle	Cytochrome P450 1A2	Homo sapiens (human)
cytoplasm	Cytochrome P450 3A4	Homo sapiens (human)
endoplasmic reticulum membrane	Cytochrome P450 3A4	Homo sapiens (human)
intracellular membrane-bounded organelle	Cytochrome P450 3A4	Homo sapiens (human)
mitochondrion	Cytochrome P450 2D6	Homo sapiens (human)
endoplasmic reticulum	Cytochrome P450 2D6	Homo sapiens (human)
endoplasmic reticulum membrane	Cytochrome P450 2D6	Homo sapiens (human)
cytoplasm	Cytochrome P450 2D6	Homo sapiens (human)
intracellular membrane-bounded organelle	Cytochrome P450 2D6	Homo sapiens (human)
endoplasmic reticulum membrane	Cytochrome P450 2C9	Homo sapiens (human)
plasma membrane	Cytochrome P450 2C9	Homo sapiens (human)
intracellular membrane-bounded organelle	Cytochrome P450 2C9	Homo sapiens (human)
cytoplasm	Cytochrome P450 2C9	Homo sapiens (human)
intracellular membrane-bounded organelle	Cytochrome P450 2C9	Homo sapiens (human)
plasma membrane	Gamma-aminobutyric acid receptor subunit gamma-2	Rattus norvegicus (Norway rat)
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	Gamma-aminobutyric acid receptor subunit alpha-1	Rattus norvegicus (Norway rat)
plasma membrane	Gamma-aminobutyric acid receptor subunit beta-2	Rattus norvegicus (Norway rat)
mitochondrion	Cytochrome P450 1B1	Homo sapiens (human)
endoplasmic reticulum membrane	Cytochrome P450 1B1	Homo sapiens (human)
intracellular membrane-bounded organelle	Cytochrome P450 1B1	Homo sapiens (human)
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)
[Information is prepared from geneontology information from the June-17-2024 release]

Bioassays (117)

Assay ID	Title	Year	Journal	Article
AID588501	High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Lethal Factor Protease, MLPCN compound set	2010	Current protocols in cytometry, Oct, Volume: Chapter 13	Microsphere-based flow cytometry protease assays for use in protease activity detection and high-throughput screening.
AID588501	High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Lethal Factor Protease, MLPCN compound set	2006	Cytometry. Part A : the journal of the International Society for Analytical Cytology, May, Volume: 69, Issue:5	Microsphere-based protease assays and screening application for lethal factor and factor Xa.
AID588501	High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Lethal Factor Protease, MLPCN compound set	2010	Assay and drug development technologies, Feb, Volume: 8, Issue:1	High-throughput multiplex flow cytometry screening for botulinum neurotoxin type a light chain protease inhibitors.
AID651635	Viability Counterscreen for Primary qHTS for Inhibitors of ATXN expression
AID588497	High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Botulinum neurotoxin light chain F protease, MLPCN compound set	2010	Current protocols in cytometry, Oct, Volume: Chapter 13	Microsphere-based flow cytometry protease assays for use in protease activity detection and high-throughput screening.
AID588497	High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Botulinum neurotoxin light chain F protease, MLPCN compound set	2006	Cytometry. Part A : the journal of the International Society for Analytical Cytology, May, Volume: 69, Issue:5	Microsphere-based protease assays and screening application for lethal factor and factor Xa.
AID588497	High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Botulinum neurotoxin light chain F protease, MLPCN compound set	2010	Assay and drug development technologies, Feb, Volume: 8, Issue:1	High-throughput multiplex flow cytometry screening for botulinum neurotoxin type a light chain protease inhibitors.
AID588499	High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Botulinum neurotoxin light chain A protease, MLPCN compound set	2010	Current protocols in cytometry, Oct, Volume: Chapter 13	Microsphere-based flow cytometry protease assays for use in protease activity detection and high-throughput screening.
AID588499	High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Botulinum neurotoxin light chain A protease, MLPCN compound set	2006	Cytometry. Part A : the journal of the International Society for Analytical Cytology, May, Volume: 69, Issue:5	Microsphere-based protease assays and screening application for lethal factor and factor Xa.
AID588499	High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Botulinum neurotoxin light chain A protease, MLPCN compound set	2010	Assay and drug development technologies, Feb, Volume: 8, Issue:1	High-throughput multiplex flow cytometry screening for botulinum neurotoxin type a light chain protease inhibitors.
AID1745845	Primary qHTS for Inhibitors of ATXN expression
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.
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.
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.
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.
AID588461	High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Lethal Factor Protease, Validation compound set	2010	Current protocols in cytometry, Oct, Volume: Chapter 13	Microsphere-based flow cytometry protease assays for use in protease activity detection and high-throughput screening.
AID588461	High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Lethal Factor Protease, Validation compound set	2006	Cytometry. Part A : the journal of the International Society for Analytical Cytology, May, Volume: 69, Issue:5	Microsphere-based protease assays and screening application for lethal factor and factor Xa.
AID588461	High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Lethal Factor Protease, Validation compound set	2010	Assay and drug development technologies, Feb, Volume: 8, Issue:1	High-throughput multiplex flow cytometry screening for botulinum neurotoxin type a light chain protease inhibitors.
AID588460	High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Botulinum neurotoxin light chain A protease, Validation Compound Set	2010	Current protocols in cytometry, Oct, Volume: Chapter 13	Microsphere-based flow cytometry protease assays for use in protease activity detection and high-throughput screening.
AID588460	High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Botulinum neurotoxin light chain A protease, Validation Compound Set	2006	Cytometry. Part A : the journal of the International Society for Analytical Cytology, May, Volume: 69, Issue:5	Microsphere-based protease assays and screening application for lethal factor and factor Xa.
AID588460	High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Botulinum neurotoxin light chain A protease, Validation Compound Set	2010	Assay and drug development technologies, Feb, Volume: 8, Issue:1	High-throughput multiplex flow cytometry screening for botulinum neurotoxin type a light chain protease inhibitors.
AID588459	High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Botulinum neurotoxin light chain F protease, Validation compound set	2010	Current protocols in cytometry, Oct, Volume: Chapter 13	Microsphere-based flow cytometry protease assays for use in protease activity detection and high-throughput screening.
AID588459	High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Botulinum neurotoxin light chain F protease, Validation compound set	2006	Cytometry. Part A : the journal of the International Society for Analytical Cytology, May, Volume: 69, Issue:5	Microsphere-based protease assays and screening application for lethal factor and factor Xa.
AID588459	High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Botulinum neurotoxin light chain F protease, Validation compound set	2010	Assay and drug development technologies, Feb, Volume: 8, Issue:1	High-throughput multiplex flow cytometry screening for botulinum neurotoxin type a light chain protease inhibitors.
AID504810	Antagonists of the Thyroid Stimulating Hormone Receptor: HTS campaign	2010	Endocrinology, Jul, Volume: 151, Issue:7	A small molecule inverse agonist for the human thyroid-stimulating hormone receptor.
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.
AID588519	A screen for compounds that inhibit viral RNA polymerase binding and polymerization activities	2011	Antiviral research, Sep, Volume: 91, Issue:3	High-throughput screening identification of poliovirus RNA-dependent RNA polymerase inhibitors.
AID540299	A screen for compounds that inhibit the MenB enzyme of Mycobacterium tuberculosis	2010	Bioorganic & medicinal chemistry letters, Nov-01, Volume: 20, Issue:21	Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis.
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.
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.
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.
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.
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.
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.
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.
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.
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.
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.
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.
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.
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.
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.
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.
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.
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.
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.
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.
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.
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.
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.
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.
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.
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.
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.
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.
AID588211	Literature-mined compound from Fourches et al multi-species drug-induced liver injury (DILI) dataset, effect in humans	2010	Chemical research in toxicology, Jan, Volume: 23, Issue:1	Cheminformatics analysis of assertions mined from literature that describe drug-induced liver injury in different species.
AID1193500	Thermodynamic equilibrium solubility, log S of the compound	2015	Bioorganic & medicinal chemistry letters, Apr-01, Volume: 25, Issue:7	Thermodynamic equilibrium solubility measurements in simulated fluids by 96-well plate method in early drug discovery.
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.
AID1079932	Highest frequency of moderate liver toxicity observed during clinical trials, expressed as a percentage. [column '% BIOL' in source]
AID1079947	Comments (NB not yet translated). [column 'COMMENTAIRES' in source]
AID1079936	Choleostatic liver toxicity, either proven histopathologically or where the ratio of maximal ALT or AST activity above normal to that of Alkaline Phosphatase is < 2 (see ACUTE). Value is number of references indexed. [column 'CHOLE' in source]
AID1411733	Inhibition of recombinant human CYP1B1 expressed in baker's yeast-derived microsomes (Sacchrosomes) at 10 uM using 7-ethoxyresorufin substrate by EROD assay relative to control	2018	MedChemComm, Feb-01, Volume: 9, Issue:2	Identification of karanjin isolated from the Indian beech tree as a potent CYP1 enzyme inhibitor with cellular efficacy
AID1079942	Steatosis, proven histopathologically. Value is number of references indexed. [column 'STEAT' in source]
AID1079944	Benign tumor, proven histopathologically. Value is number of references indexed. [column 'T.BEN' in source]
AID1193498	Thermodynamic equilibrium solubility, log S of the compound simulated gastric fluid at pH 1.2 at RT after 24 hrs by shake-flask method	2015	Bioorganic & medicinal chemistry letters, Apr-01, Volume: 25, Issue:7	Thermodynamic equilibrium solubility measurements in simulated fluids by 96-well plate method in early drug discovery.
AID203650	Total Serum HDL cholesterol alteration by the compound at 50 mg/kg/day dose in normocholesterolemic Male S.E.A. Japanese quail with 5-7 weeks of age	1983	Journal of medicinal chemistry, Dec, Volume: 26, Issue:12	Khellin analogues. 1. General topological requirements for lipid-altering activity in furochromones.
AID1411734	Inhibition of recombinant human CYP2D6 expressed in baker's yeast-derived microsomes (Sacchrosomes) at 10 uM using 7-ethoxy-methyloxy-3-cyanocoumarin substrate by EROD assay relative to control	2018	MedChemComm, Feb-01, Volume: 9, Issue:2	Identification of karanjin isolated from the Indian beech tree as a potent CYP1 enzyme inhibitor with cellular efficacy
AID1411740	Inhibition of human recombinant CYP1A2 expressed in HEK293 cells using 3-cyano-7-ethoxycoumarin substrate preincubated for 30 mins followed by substrate addition and measured after 60 mins by fluorescence assay relative to control	2018	MedChemComm, Feb-01, Volume: 9, Issue:2	Identification of karanjin isolated from the Indian beech tree as a potent CYP1 enzyme inhibitor with cellular efficacy
AID1079948	Times to onset, minimal and maximal, observed in the indexed observations. [column 'DELAI' in source]
AID1079943	Malignant tumor, proven histopathologically. Value is number of references indexed. [column 'T.MAL' in source]
AID1079934	Highest frequency of acute liver toxicity observed during clinical trials, expressed as a percentage. [column '% AIGUE' in source]
AID1411735	Inhibition of recombinant human CYP3A4 expressed in baker's yeast-derived microsomes (Sacchrosomes) at 10 uM using dibenzylfluorescein substrate by EROD assay relative to control	2018	MedChemComm, Feb-01, Volume: 9, Issue:2	Identification of karanjin isolated from the Indian beech tree as a potent CYP1 enzyme inhibitor with cellular efficacy
AID82013	Serum high density lipoprotein (HDL) cholesterol alteration by the compound at 50 mg/kg/day dose in normocholesterolemic Male S.E.A. Japanese quail with 5-7 weeks of age	1983	Journal of medicinal chemistry, Dec, Volume: 26, Issue:12	Khellin analogues. 1. General topological requirements for lipid-altering activity in furochromones.
AID1193496	Thermodynamic equilibrium solubility, log S of the compound in water at RT after 24 hrs by shake-flask method	2015	Bioorganic & medicinal chemistry letters, Apr-01, Volume: 25, Issue:7	Thermodynamic equilibrium solubility measurements in simulated fluids by 96-well plate method in early drug discovery.
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.
AID1411743	Inhibition of human recombinant CYP2C9 expressed in HEK293 cells using 3-cyano-7-ethoxycoumarin substrate substrate preincubated for 30 mins followed by substrate addition and measured after 60 mins by fluorescence assay relative to control	2018	MedChemComm, Feb-01, Volume: 9, Issue:2	Identification of karanjin isolated from the Indian beech tree as a potent CYP1 enzyme inhibitor with cellular efficacy
AID397122	Inhibition of HIV1 RT
AID1079939	Cirrhosis, proven histopathologically. Value is number of references indexed. [column 'CIRRH' in source]
AID1079937	Severe hepatitis, defined as possibly life-threatening liver failure or through clinical observations. Value is number of references indexed. [column 'MASS' in source]
AID588213	Literature-mined compound from Fourches et al multi-species drug-induced liver injury (DILI) dataset, effect in non-rodents	2010	Chemical research in toxicology, Jan, Volume: 23, Issue:1	Cheminformatics analysis of assertions mined from literature that describe drug-induced liver injury in different species.
AID1079945	Animal toxicity known. [column 'TOXIC' in source]
AID1079938	Chronic liver disease either proven histopathologically, or through a chonic elevation of serum amino-transferase activity after 6 months. Value is number of references indexed. [column 'CHRON' in source]
AID1079946	Presence of at least one case with successful reintroduction. [column 'REINT' in source]
AID1079935	Cytolytic liver toxicity, either proven histopathologically or where the ratio of maximal ALT or AST activity above normal to that of Alkaline Phosphatase is > 5 (see ACUTE). Value is number of references indexed. [column 'CYTOL' in source]
AID1079933	Acute liver toxicity defined via clinical observations and clear clinical-chemistry results: serum ALT or AST activity > 6 N or serum alkaline phosphatases activity > 1.7 N. This category includes cytolytic, choleostatic and mixed liver toxicity. Value is
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.
AID1193492	Thermodynamic equilibrium solubility, log S of the compound in water at RT after 4 hrs by 96 well plate method	2015	Bioorganic & medicinal chemistry letters, Apr-01, Volume: 25, Issue:7	Thermodynamic equilibrium solubility measurements in simulated fluids by 96-well plate method in early drug discovery.
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.
AID1079931	Moderate liver toxicity, defined via clinical-chemistry results: ALT or AST serum activity 6 times the normal upper limit (N) or alkaline phosphatase serum activity of 1.7 N. Value is number of references indexed. [column 'BIOL' in source]
AID179234	Compound was tested for the vasorelaxation in rat aorta rings pre-contracted with KCl 60 mM	2002	Bioorganic & medicinal chemistry letters, Mar-11, Volume: 12, Issue:5	Synthesis and vasorelaxant activity of new coumarin and furocoumarin derivatives.
AID1193499	Thermodynamic equilibrium solubility, log S of the compound simulated intestinal fluid at pH 6.8 at RT after 24 hrs by shake-flask method	2015	Bioorganic & medicinal chemistry letters, Apr-01, Volume: 25, Issue:7	Thermodynamic equilibrium solubility measurements in simulated fluids by 96-well plate method in early drug discovery.
AID588212	Literature-mined compound from Fourches et al multi-species drug-induced liver injury (DILI) dataset, effect in rodents	2010	Chemical research in toxicology, Jan, Volume: 23, Issue:1	Cheminformatics analysis of assertions mined from literature that describe drug-induced liver injury in different species.
AID1411745	Inhibition of human recombinant CYP3A4 expressed in HEK293 cells using dibenzylfluorescein substrate substrate preincubated for 30 mins followed by substrate addition and measured after 60 mins by fluorescence assay relative to control	2018	MedChemComm, Feb-01, Volume: 9, Issue:2	Identification of karanjin isolated from the Indian beech tree as a potent CYP1 enzyme inhibitor with cellular efficacy
AID179235	Compound was tested for the vasorelaxation in rat aorta rings pre-contracted with noradrenaline (NA) 10 uM	2002	Bioorganic & medicinal chemistry letters, Mar-11, Volume: 12, Issue:5	Synthesis and vasorelaxant activity of new coumarin and furocoumarin derivatives.
AID1193494	Thermodynamic equilibrium solubility, log S of the compound in simulated gastric fluid at pH 1.2 at RT after 4 hrs by 96 well plate method	2015	Bioorganic & medicinal chemistry letters, Apr-01, Volume: 25, Issue:7	Thermodynamic equilibrium solubility measurements in simulated fluids by 96-well plate method in early drug discovery.
AID1411739	Inhibition of human recombinant CYP1A1 expressed in HEK293 cells using 7-ethoxyresorufin substrate preincubated for 30 mins followed by substrate addition and measured after 60 mins by fluorescence assay relative to control	2018	MedChemComm, Feb-01, Volume: 9, Issue:2	Identification of karanjin isolated from the Indian beech tree as a potent CYP1 enzyme inhibitor with cellular efficacy
AID1411737	Inhibition of recombinant human CYP2C19 expressed in baker's yeast-derived microsomes (Sacchrosomes) at 10 uM using 3-cyano-7-ethoxycoumarin substrate by EROD assay relative to control	2018	MedChemComm, Feb-01, Volume: 9, Issue:2	Identification of karanjin isolated from the Indian beech tree as a potent CYP1 enzyme inhibitor with cellular efficacy
AID203649	Serum lipoprotein (VLDL+LDL) cholesterol alteration by the compound at 50 mg/kg/day dose in normocholesterolemic Male S.E.A. Japanese quail with 5-7 weeks of age	1983	Journal of medicinal chemistry, Dec, Volume: 26, Issue:12	Khellin analogues. 1. General topological requirements for lipid-altering activity in furochromones.
AID1079940	Granulomatous liver disease, proven histopathologically. Value is number of references indexed. [column 'GRAN' in source]
AID1411736	Inhibition of recombinant human CYP2C9 expressed in baker's yeast-derived microsomes (Sacchrosomes) at 10 uM using 3-cyano-7-ethoxycoumarin substrate by EROD assay relative to control	2018	MedChemComm, Feb-01, Volume: 9, Issue:2	Identification of karanjin isolated from the Indian beech tree as a potent CYP1 enzyme inhibitor with cellular efficacy
AID1411741	Inhibition of human recombinant CYP1B1 expressed in HEK293 cells using 7-ethoxyresorufin substrate substrate preincubated for 30 mins followed by substrate addition and measured after 60 mins by fluorescence assay relative to control	2018	MedChemComm, Feb-01, Volume: 9, Issue:2	Identification of karanjin isolated from the Indian beech tree as a potent CYP1 enzyme inhibitor with cellular efficacy
AID1411744	Inhibition of human recombinant CYP2C19 expressed in HEK293 cells using 3-cyano-7-ethoxycoumarin substrate substrate preincubated for 30 mins followed by substrate addition and measured after 60 mins by fluorescence assay relative to control	2018	MedChemComm, Feb-01, Volume: 9, Issue:2	Identification of karanjin isolated from the Indian beech tree as a potent CYP1 enzyme inhibitor with cellular efficacy
AID1079941	Liver damage due to vascular disease: peliosis hepatitis, hepatic veno-occlusive disease, Budd-Chiari syndrome. Value is number of references indexed. [column 'VASC' in source]
AID1411732	Inhibition of recombinant human CYP1A2 expressed in baker's yeast-derived microsomes (Sacchrosomes) at 10 uM using 3-cyano-7-ethoxycoumarin substrate by EROD assay relative to control	2018	MedChemComm, Feb-01, Volume: 9, Issue:2	Identification of karanjin isolated from the Indian beech tree as a potent CYP1 enzyme inhibitor with cellular efficacy
AID1193495	Thermodynamic equilibrium solubility, log S of the compound in simulated intestinal fluid at pH 6.8 at RT after 4 hrs by 96 well plate method	2015	Bioorganic & medicinal chemistry letters, Apr-01, Volume: 25, Issue:7	Thermodynamic equilibrium solubility measurements in simulated fluids by 96-well plate method in early drug discovery.
AID1193493	Thermodynamic equilibrium solubility, log S of the compound in PBS at pH 7.4 at RT after 4 hrs by 96 well plate method	2015	Bioorganic & medicinal chemistry letters, Apr-01, Volume: 25, Issue:7	Thermodynamic equilibrium solubility measurements in simulated fluids by 96-well plate method in early drug discovery.
AID1193497	Thermodynamic equilibrium solubility, log S of the compound PBS at pH 7.4 at RT after 24 hrs by shake-flask method	2015	Bioorganic & medicinal chemistry letters, Apr-01, Volume: 25, Issue:7	Thermodynamic equilibrium solubility measurements in simulated fluids by 96-well plate method in early drug discovery.
AID1079949	Proposed mechanism(s) of liver damage. [column 'MEC' in source]
AID1411730	Inhibition of recombinant human CYP1A1 expressed in baker's yeast-derived microsomes (Sacchrosomes) at 10 uM using 7-ethoxyresorufin substrate by EROD assay relative to control	2018	MedChemComm, Feb-01, Volume: 9, Issue:2	Identification of karanjin isolated from the Indian beech tree as a potent CYP1 enzyme inhibitor with cellular efficacy
AID1411738	Inhibition of human recombinant CYP1A1 expressed in HEK293 cells at 10 uM using 7-ethoxyresorufin substrate preincubated for 30 mins followed by substrate addition and measured after 60 mins by fluorescence assay relative to control	2018	MedChemComm, Feb-01, Volume: 9, Issue:2	Identification of karanjin isolated from the Indian beech tree as a potent CYP1 enzyme inhibitor with cellular efficacy
AID188640	Antagonist PD'2 which is the negative logarithm of the molar concentration of antagonist required to cause 50% depression of the maximal response of the agonist was determined	2002	Bioorganic & medicinal chemistry letters, Mar-11, Volume: 12, Issue:5	Synthesis and vasorelaxant activity of new coumarin and furocoumarin derivatives.
AID1411742	Inhibition of human recombinant CYP2D6 expressed in HEK293 cells using 7-ethoxy-methyloxy-3-cyanocoumarin substrate substrate preincubated for 30 mins followed by substrate addition and measured after 60 mins by fluorescence assay relative to control	2018	MedChemComm, Feb-01, Volume: 9, Issue:2	Identification of karanjin isolated from the Indian beech tree as a potent CYP1 enzyme inhibitor with cellular efficacy
AID1224864	HCS microscopy assay (F508del-CFTR)	2016	PloS one, , Volume: 11, Issue:10	Increasing the Endoplasmic Reticulum Pool of the F508del Allele of the Cystic Fibrosis Transmembrane Conductance Regulator Leads to Greater Folding Correction by Small Molecule Therapeutics.
AID1224817	Assays to identify small molecules inhibitory for eIF4E expression	2015	Chemistry & biology, Jul-23, Volume: 22, Issue:7	Internal Ribosome Entry Site-Based Bicistronic In Situ Reporter Assays for Discovery of Transcription-Targeted Lead Compounds.
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.
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.
[information is prepared from bioassay data collected from National Library of Medicine (NLM), extracted Dec-2023]

Timeframe	Studies, This Drug (%)	All Drugs %
pre-1990	1302 (29.93)	18.7374
1990's	423 (9.72)	18.2507
2000's	771 (17.72)	29.6817
2010's	1162 (26.71)	24.3611
2020's	692 (15.91)	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	193 (4.06%)	5.53%
Reviews	531 (11.16%)	6.00%
Case Studies	617 (12.97%)	4.05%
Observational	11 (0.23%)	0.25%
Other	3,405 (71.58%)	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
papaverine	[no description available]	high	27	1	benzylisoquinoline alkaloid; dimethoxybenzene; isoquinolines	antispasmodic drug; vasodilator agent
suramin	[no description available]	medium	3	0	naphthalenesulfonic acid; phenylureas; secondary carboxamide	angiogenesis inhibitor; antinematodal drug; antineoplastic agent; apoptosis inhibitor; EC 2.7.11.13 (protein kinase C) inhibitor; GABA antagonist; GABA-gated chloride channel antagonist; purinergic receptor P2 antagonist; ryanodine receptor agonist; trypanocidal drug
vincristine	[no description available]	medium	2	0	acetate ester; formamides; methyl ester; organic heteropentacyclic compound; organic heterotetracyclic compound; tertiary alcohol; tertiary amino compound; vinca alkaloid	antineoplastic agent; drug; microtubule-destabilising agent; plant metabolite; tubulin modulator
phenylephrine	[no description available]	medium	2	0	phenols; phenylethanolamines; secondary amino compound	alpha-adrenergic agonist; cardiotonic drug; mydriatic agent; nasal decongestant; protective agent; sympathomimetic agent; vasoconstrictor agent
androstenedione	[no description available]	medium	2	0	17-oxo steroid; 3-oxo-Delta(4) steroid; androstanoid	androgen; Daphnia magna metabolite; human metabolite; mouse metabolite
colchicine	[no description available]	medium	13	0	alkaloid; colchicine	anti-inflammatory agent; gout suppressant; mutagen
rotenone	[no description available]	medium	3	0	organic heteropentacyclic compound; rotenones	antineoplastic agent; metabolite; mitochondrial NADH:ubiquinone reductase inhibitor; phytogenic insecticide; piscicide; toxin
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	2	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	4	0	organic molecular entity
vinblastine	[no description available]	medium	2	0
thalicarpine	[no description available]	medium	1	0	bisbenzylisoquinoline alkaloid; isoquinolines
camptothecin	[no description available]	medium	5	0	delta-lactone; pyranoindolizinoquinoline; quinoline alkaloid; tertiary alcohol	antineoplastic agent; EC 5.99.1.2 (DNA topoisomerase) inhibitor; genotoxin; plant metabolite
camptothecin	[no description available]	medium	5	1	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]	medium	5	0	aminoglycoside antibiotic; anthracycline; p-quinones; tetracenequinones	antineoplastic agent; bacterial metabolite
canadine	[no description available]	medium	2	0	aromatic ether; berberine alkaloid; organic heteropentacyclic compound; oxacycle
paclitaxel	[no description available]	medium	5	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	1	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	2	0
plumieride	[no description available]	medium	1	0	glycoside
coptisine	[no description available]	medium	1	0
betulin	[no description available]	medium	2	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	3	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	1	0	isoquinolines	metabolite
aspidospermine	[no description available]	medium	2	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]	medium	2	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	3	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	1	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	1	0
hirsutine, (16e,20beta)-isomer	[no description available]	medium	1	0	alkaloid	metabolite
quercetin	[no description available]	medium	10	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	2	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	3	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	1	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	2	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	3	0
visnagin	[no description available]	high	54	0	aromatic ether; furanochromone; polyketide	anti-inflammatory agent; antihypertensive agent; EC 1.1.1.37 (malate dehydrogenase) inhibitor; phytotoxin; plant metabolite; vasodilator agent
timefurone	[no description available]	medium	3	0
chromonar	[no description available]	medium	1	0	coumarins
acetic acid	[no description available]	medium	1	0	monocarboxylic acid	antimicrobial food preservative; Daphnia magna metabolite; food acidity regulator; protic solvent
acetamide	[no description available]	medium	1	0	acetamides; carboximidic acid; monocarboxylic acid amide; N-acylammonia
adenine	[no description available]	medium	1	0	6-aminopurines; purine nucleobase	Daphnia magna metabolite; Escherichia coli metabolite; human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite
allantoin	[no description available]	medium	13	0	imidazolidine-2,4-dione; ureas	Escherichia coli metabolite; human metabolite; Saccharomyces cerevisiae metabolite; vulnerary
allantoin	[no description available]	medium	13	3	imidazolidine-2,4-dione; ureas	Escherichia coli metabolite; human metabolite; Saccharomyces cerevisiae metabolite; vulnerary
quinacrine	[no description available]	medium	1	0	acridines; aromatic ether; organochlorine compound; tertiary amino compound	antimalarial; EC 1.8.1.12 (trypanothione-disulfide reductase) inhibitor
betaine	[no description available]	medium	2	0	amino-acid betaine; glycine derivative	fundamental metabolite
carnitine	[no description available]	medium	1	0	amino-acid betaine	human metabolite; mouse metabolite
citric acid, anhydrous	[no description available]	medium	2	0	tricarboxylic acid	antimicrobial agent; chelator; food acidity regulator; fundamental metabolite
salicylic acid	[no description available]	medium	18	0	monohydroxybenzoic acid	algal metabolite; antifungal agent; antiinfective agent; EC 1.11.1.11 (L-ascorbate peroxidase) inhibitor; keratolytic drug; plant hormone; plant metabolite
bupropion	[no description available]	medium	1	0	aromatic ketone; monochlorobenzenes; secondary amino compound	antidepressant; environmental contaminant; xenobiotic
aminocaproic acid	[no description available]	medium	1	0	amino acid zwitterion; epsilon-amino acid; omega-amino fatty acid	antifibrinolytic drug; hematologic agent; metabolite
creatine	[no description available]	medium	1	0	glycine derivative; guanidines; zwitterion	geroprotector; human metabolite; mouse metabolite; neuroprotective agent; nutraceutical
lactic acid	[no description available]	medium	8	0	2-hydroxy monocarboxylic acid	algal metabolite; Daphnia magna metabolite
dimethyl sulfoxide	[no description available]	medium	7	0	sulfoxide; volatile organic compound	alkylating agent; antidote; Escherichia coli metabolite; geroprotector; MRI contrast agent; non-narcotic analgesic; polar aprotic solvent; radical scavenger
dimethyl sulfoxide	[no description available]	medium	7	1	sulfoxide; volatile organic compound	alkylating agent; antidote; Escherichia coli metabolite; geroprotector; MRI contrast agent; non-narcotic analgesic; polar aprotic solvent; radical scavenger
formaldehyde	[no description available]	medium	2	0	aldehyde; one-carbon compound	allergen; carcinogenic agent; disinfectant; EC 3.5.1.4 (amidase) inhibitor; environmental contaminant; Escherichia coli metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite
glycine	[no description available]	medium	2	0	alpha-amino acid; amino acid zwitterion; proteinogenic amino acid; serine family amino acid	EC 2.1.2.1 (glycine hydroxymethyltransferase) inhibitor; fundamental metabolite; hepatoprotective agent; micronutrient; neurotransmitter; NMDA receptor agonist; nutraceutical
glycerol	[no description available]	medium	3	0	alditol; triol	algal metabolite; detergent; Escherichia coli metabolite; geroprotector; human metabolite; mouse metabolite; osmolyte; Saccharomyces cerevisiae metabolite; solvent
hydroquinone	[no description available]	medium	2	0	benzenediol; hydroquinones	antioxidant; carcinogenic agent; cofactor; Escherichia coli metabolite; human xenobiotic metabolite; mouse metabolite; skin lightening agent
inositol	[no description available]	medium	2	0	cyclitol; hexol
niacinamide	[no description available]	medium	4	0	pyridine alkaloid; pyridinecarboxamide; vitamin B3	anti-inflammatory agent; antioxidant; cofactor; EC 2.4.2.30 (NAD(+) ADP-ribosyltransferase) inhibitor; EC 3.5.1.98 (histone deacetylase) inhibitor; Escherichia coli metabolite; geroprotector; human urinary metabolite; metabolite; mouse metabolite; neuroprotective agent; Saccharomyces cerevisiae metabolite; Sir2 inhibitor
niacin	[no description available]	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
orotic acid	[no description available]	medium	1	0	pyrimidinemonocarboxylic acid	Escherichia coli metabolite; metabolite; mouse metabolite
4-aminobenzoic acid	[no description available]	medium	1	0	aminobenzoic acid; aromatic amino-acid zwitterion	allergen; Escherichia coli metabolite; plant metabolite
phenol	[no description available]	medium	3	0	phenols	antiseptic drug; disinfectant; human xenobiotic metabolite; mouse metabolite
phenylacetic acid	[no description available]	medium	1	0	benzenes; monocarboxylic acid; phenylacetic acids	allergen; Aspergillus metabolite; auxin; EC 6.4.1.1 (pyruvate carboxylase) inhibitor; Escherichia coli metabolite; human metabolite; plant growth retardant; plant metabolite; Saccharomyces cerevisiae metabolite; toxin
pyrazinamide	[no description available]	medium	3	0	monocarboxylic acid amide; N-acylammonia; pyrazines	antitubercular agent; prodrug
pyridoxal phosphate	[no description available]	medium	1	0	methylpyridines; monohydroxypyridine; pyridinecarbaldehyde; vitamin B6 phosphate	coenzyme; cofactor; EC 2.7.7.7 (DNA-directed DNA polymerase) inhibitor; Escherichia coli metabolite; human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite
pyridoxine	[no description available]	medium	2	0	hydroxymethylpyridine; methylpyridines; monohydroxypyridine; vitamin B6	cofactor; Escherichia coli metabolite; human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite
pyridoxine	[no description available]	medium	2	1	hydroxymethylpyridine; methylpyridines; monohydroxypyridine; vitamin B6	cofactor; Escherichia coli metabolite; human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite
thiamine	[no description available]	medium	1	0	primary alcohol; vitamin B1	Escherichia coli metabolite; human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite
uracil	[no description available]	medium	1	0	pyrimidine nucleobase; pyrimidone	allergen; Daphnia magna metabolite; Escherichia coli metabolite; human metabolite; mouse metabolite; prodrug; Saccharomyces cerevisiae metabolite
urea	[no description available]	medium	4	0	isourea; monocarboxylic acid amide; one-carbon compound	Daphnia magna metabolite; Escherichia coli metabolite; fertilizer; flour treatment agent; human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite
catechin	[no description available]	medium	1	0	hydroxyflavan
menthol	[no description available]	medium	1	0	p-menthane monoterpenoid; secondary alcohol	volatile oil component
phenytoin	[no description available]	medium	4	0	imidazolidine-2,4-dione	anticonvulsant; drug allergen; sodium channel blocker; teratogenic agent
acebutolol	[no description available]	medium	1	0	aromatic amide; ethanolamines; ether; monocarboxylic acid amide; propanolamine; secondary amino compound	anti-arrhythmia drug; antihypertensive agent; beta-adrenergic antagonist; sympathomimetic agent
acetaminophen	[no description available]	medium	2	0	acetamides; phenols	antipyretic; cyclooxygenase 1 inhibitor; cyclooxygenase 2 inhibitor; cyclooxygenase 3 inhibitor; environmental contaminant; ferroptosis inducer; geroprotector; hepatotoxic agent; human blood serum metabolite; non-narcotic analgesic; non-steroidal anti-inflammatory drug; xenobiotic
acetazolamide	[no description available]	medium	2	0	monocarboxylic acid amide; sulfonamide; thiadiazoles	anticonvulsant; diuretic; EC 4.2.1.1 (carbonic anhydrase) inhibitor
acetohexamide	[no description available]	medium	1	0	acetophenones; N-sulfonylurea	hypoglycemic agent; insulin secretagogue
acetohydroxamic acid	[no description available]	medium	1	0	acetohydroxamic acids; carbohydroximic acid	algal metabolite; EC 3.5.1.5 (urease) inhibitor
albendazole	[no description available]	medium	2	0	aryl sulfide; benzimidazoles; benzimidazolylcarbamate fungicide; carbamate ester	anthelminthic drug; microtubule-destabilising agent; tubulin modulator
albuterol	[no description available]	medium	1	0	phenols; phenylethanolamines; secondary amino compound	beta-adrenergic agonist; bronchodilator agent; environmental contaminant; xenobiotic
alfuzosin	[no description available]	medium	1	0	monocarboxylic acid amide; quinazolines; tetrahydrofuranol	alpha-adrenergic antagonist; antihypertensive agent; antineoplastic agent
amantadine	[no description available]	medium	1	0	adamantanes; primary aliphatic amine	analgesic; antiparkinson drug; antiviral drug; dopaminergic agent; NMDA receptor antagonist; non-narcotic analgesic
ambroxol	[no description available]	medium	1	0	aromatic amine
aminoglutethimide	[no description available]	medium	1	0	dicarboximide; piperidones; substituted aniline	adrenergic agent; anticonvulsant; antineoplastic agent; EC 1.14.14.14 (aromatase) inhibitor
pimagedine	[no description available]	medium	1	0	guanidines; one-carbon compound	EC 1.14.13.39 (nitric oxide synthase) inhibitor; EC 1.4.3.4 (monoamine oxidase) inhibitor
theophylline	[no description available]	high	30	2	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
theophylline	[no description available]	high	30	0	dimethylxanthine	adenosine receptor antagonist; anti-asthmatic drug; anti-inflammatory agent; bronchodilator agent; drug metabolite; EC 3.1.4.* (phosphoric diester hydrolase) inhibitor; fungal metabolite; human blood serum metabolite; immunomodulator; muscle relaxant; vasodilator agent
amiodarone	[no description available]	medium	1	0	1-benzofurans; aromatic ketone; organoiodine compound; tertiary amino compound	cardiovascular drug
amitriptyline	[no description available]	medium	1	0	carbotricyclic compound; tertiary amine	adrenergic uptake inhibitor; antidepressant; environmental contaminant; tropomyosin-related kinase B receptor agonist; xenobiotic
amlodipine	[no description available]	medium	1	0	dihydropyridine; ethyl ester; methyl ester; monochlorobenzenes; primary amino compound	antihypertensive agent; calcium channel blocker; vasodilator agent
amobarbital	[no description available]	medium	1	0	barbiturates
amsacrine	[no description available]	medium	1	0	acridines; aromatic ether; sulfonamide	antineoplastic agent; EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor
anastrozole	[no description available]	medium	2	0	nitrile; triazoles	antineoplastic agent; EC 1.14.14.14 (aromatase) inhibitor
anethole trithione	[no description available]	medium	1	0	methoxybenzenes
anthralin	[no description available]	medium	1	0	anthracenes	antipsoriatic
aspirin	[no description available]	medium	5	0	benzoic acids; phenyl acetates; salicylates	anticoagulant; antipyretic; cyclooxygenase 1 inhibitor; cyclooxygenase 2 inhibitor; drug allergen; EC 1.1.1.188 (prostaglandin-F synthase) inhibitor; geroprotector; non-narcotic analgesic; non-steroidal anti-inflammatory drug; plant activator; platelet aggregation inhibitor; prostaglandin antagonist; teratogenic agent
atenolol	[no description available]	medium	2	0	ethanolamines; monocarboxylic acid amide; propanolamine	anti-arrhythmia drug; antihypertensive agent; beta-adrenergic antagonist; environmental contaminant; sympatholytic agent; xenobiotic
azathioprine	[no description available]	medium	2	0	aryl sulfide; C-nitro compound; imidazoles; thiopurine	antimetabolite; antineoplastic agent; carcinogenic agent; DNA synthesis inhibitor; hepatotoxic agent; immunosuppressive agent; prodrug
baclofen	[no description available]	medium	1	0	amino acid zwitterion; gamma-amino acid; monocarboxylic acid; monochlorobenzenes; primary amino compound	central nervous system depressant; GABA agonist; muscle relaxant
barbital	[no description available]	medium	1	0	barbiturates	drug allergen
bendazac	[no description available]	medium	1	0	indazoles; monocarboxylic acid	non-steroidal anti-inflammatory drug; radical scavenger
benzbromarone	[no description available]	medium	3	0	1-benzofurans; aromatic ketone	uricosuric drug
bicalutamide	[no description available]	medium	1	0	(trifluoromethyl)benzenes; monocarboxylic acid amide; monofluorobenzenes; nitrile; sulfone; tertiary alcohol
bay h 4502	[no description available]	medium	2	0	biphenyls; imidazoles
bisoprolol	[no description available]	medium	1	0	secondary alcohol; secondary amine	anti-arrhythmia drug; antihypertensive agent; beta-adrenergic antagonist; sympatholytic agent
bromisovalum	[no description available]	medium	1	0	N-acylurea; organobromine compound
brotizolam	[no description available]	medium	1	0	organic molecular entity
bumetanide	[no description available]	medium	2	0	amino acid; benzoic acids; sulfonamide	diuretic; EC 3.6.3.49 (channel-conductance-controlling ATPase) inhibitor
bupivacaine	[no description available]	medium	3	0	aromatic amide; piperidinecarboxamide; tertiary amino compound
buspirone	[no description available]	medium	1	0	azaspiro compound; N-alkylpiperazine; N-arylpiperazine; organic heteropolycyclic compound; piperidones; pyrimidines	anxiolytic drug; EC 3.4.21.26 (prolyl oligopeptidase) inhibitor; sedative; serotonergic agonist
busulfan	[no description available]	medium	2	0	methanesulfonate ester	alkylating agent; antineoplastic agent; carcinogenic agent; insect sterilant; teratogenic agent
butalbital	[no description available]	medium	1	0	barbiturates	analgesic; sedative
caffeine	[no description available]	medium	9	0	purine alkaloid; trimethylxanthine	adenosine A2A receptor antagonist; adenosine receptor antagonist; adjuvant; central nervous system stimulant; diuretic; EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor; EC 3.1.4.* (phosphoric diester hydrolase) inhibitor; environmental contaminant; food additive; fungal metabolite; geroprotector; human blood serum metabolite; mouse metabolite; mutagen; plant metabolite; psychotropic drug; ryanodine receptor agonist; xenobiotic
verapamil	[no description available]	medium	44	0	aromatic ether; nitrile; polyether; tertiary amino compound
verapamil	[no description available]	medium	44	8	aromatic ether; nitrile; polyether; tertiary amino compound
candesartan cilexetil	[no description available]	medium	1	0	biphenyls
carbamazepine	[no description available]	medium	3	0	dibenzoazepine; ureas	analgesic; anticonvulsant; antimanic drug; drug allergen; EC 3.5.1.98 (histone deacetylase) inhibitor; environmental contaminant; glutamate transporter activator; mitogen; non-narcotic analgesic; sodium channel blocker; xenobiotic
carisoprodol	[no description available]	medium	2	0	carbamate ester	muscle relaxant
carmustine	[no description available]	medium	1	0	N-nitrosoureas; organochlorine compound	alkylating agent; antineoplastic agent
carprofen	[no description available]	medium	1	0	carbazoles; organochlorine compound	EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor; non-steroidal anti-inflammatory drug; photosensitizing agent
carvedilol	[no description available]	medium	1	0	carbazoles; secondary alcohol; secondary amino compound	alpha-adrenergic antagonist; antihypertensive agent; beta-adrenergic antagonist; cardiovascular drug; vasodilator agent
celecoxib	[no description available]	medium	2	0	organofluorine compound; pyrazoles; sulfonamide; toluenes	cyclooxygenase 2 inhibitor; geroprotector; non-narcotic analgesic; non-steroidal anti-inflammatory drug
cetirizine	[no description available]	medium	2	0	ether; monocarboxylic acid; monochlorobenzenes; piperazines	anti-allergic agent; environmental contaminant; H1-receptor antagonist; xenobiotic
chloral hydrate	[no description available]	medium	1	0	aldehyde hydrate; ethanediol; organochlorine compound	general anaesthetic; mouse metabolite; sedative; xenobiotic
chlorambucil	[no description available]	medium	2	0	aromatic amine; monocarboxylic acid; nitrogen mustard; organochlorine compound; tertiary amino compound	alkylating agent; antineoplastic agent; carcinogenic agent; drug allergen; immunosuppressive agent
chlordiazepoxide	[no description available]	medium	1	0	benzodiazepine
chlormezanone	[no description available]	medium	1	0	1,3-thiazine; lactam; monochlorobenzenes; sulfone	antipsychotic agent; anxiolytic drug; muscle relaxant
chloroquine	[no description available]	medium	4	0	aminoquinoline; organochlorine compound; secondary amino compound; tertiary amino compound	anticoronaviral agent; antimalarial; antirheumatic drug; autophagy inhibitor; dermatologic drug
chloroxylenol	[no description available]	medium	1	0	monochlorobenzenes; phenols	antiseptic drug; disinfectant; molluscicide
chlorpheniramine	[no description available]	medium	1	0	monochlorobenzenes; pyridines; tertiary amino compound	anti-allergic agent; antidepressant; antipruritic drug; H1-receptor antagonist; histamine antagonist; serotonin uptake inhibitor
chlorpromazine	[no description available]	medium	2	0	organochlorine compound; phenothiazines; tertiary amine	anticoronaviral agent; antiemetic; dopaminergic antagonist; EC 3.4.21.26 (prolyl oligopeptidase) inhibitor; phenothiazine antipsychotic drug
chlorpropamide	[no description available]	medium	2	0	monochlorobenzenes; N-sulfonylurea	hypoglycemic agent; insulin secretagogue
chlorzoxazone	[no description available]	medium	3	0	1,3-benzoxazoles; heteroaryl hydroxy compound; organochlorine compound	muscle relaxant; sedative
cimetidine	[no description available]	medium	2	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
ciprofibrate	[no description available]	medium	1	0	cyclopropanes; monocarboxylic acid; organochlorine compound	antilipemic drug
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
cisapride	[no description available]	medium	1	0	benzamides
citalopram	[no description available]	medium	1	0	2-benzofurans; cyclic ether; nitrile; organofluorine compound; tertiary amino compound
clioquinol	[no description available]	medium	2	0	monohydroxyquinoline; organochlorine compound; organoiodine compound	antibacterial agent; antifungal agent; antimicrobial agent; antineoplastic agent; antiprotozoal drug; chelator; copper chelator
clobazam	[no description available]	medium	1	0	1,4-benzodiazepinone; organochlorine compound	anticonvulsant; anxiolytic drug; GABA modulator
clofazimine	[no description available]	medium	3	0	monochlorobenzenes; phenazines	dye; leprostatic drug; non-steroidal anti-inflammatory drug
clofibrate	[no description available]	medium	1	0	aromatic ether; ethyl ester; monochlorobenzenes	anticholesteremic drug; antilipemic drug; geroprotector; PPARalpha agonist
clomiphene	[no description available]	medium	1	0	tertiary amine	estrogen antagonist; estrogen receptor modulator
clonidine	[no description available]	medium	1	0	clonidine; imidazoline
clotiazepam	[no description available]	medium	1	0	organic molecular entity
clotrimazole	[no description available]	medium	2	0	conazole antifungal drug; imidazole antifungal drug; imidazoles; monochlorobenzenes	antiinfective agent; environmental contaminant; xenobiotic
cyclandelate	[no description available]	medium	1	0	carboxylic ester; secondary alcohol	vasodilator agent
cyproheptadine	[no description available]	medium	1	0	piperidines; tertiary amine	anti-allergic agent; antipruritic drug; gastrointestinal drug; H1-receptor antagonist; serotonergic antagonist
danthron	[no description available]	medium	1	0	dihydroxyanthraquinone	apoptosis inducer; plant metabolite
dapsone	[no description available]	medium	3	0	substituted aniline; sulfone	anti-inflammatory drug; antiinfective agent; antimalarial; leprostatic drug
deferoxamine	[no description available]	medium	3	0	acyclic desferrioxamine	bacterial metabolite; ferroptosis inhibitor; iron chelator; siderophore
amphetamine	[no description available]	medium	1	0	primary amine
eflornithine	[no description available]	medium	2	0	alpha-amino acid; fluoroamino acid	trypanocidal drug
diazepam	[no description available]	medium	1	0	1,4-benzodiazepinone; organochlorine compound	anticonvulsant; anxiolytic drug; environmental contaminant; sedative; xenobiotic
diazoxide	[no description available]	medium	2	0	benzothiadiazine; organochlorine compound; sulfone	antihypertensive agent; beta-adrenergic agonist; bronchodilator agent; cardiotonic drug; diuretic; K-ATP channel agonist; sodium channel blocker; sympathomimetic agent; vasodilator agent
diclofenac	[no description available]	medium	2	0	amino acid; aromatic amine; dichlorobenzene; monocarboxylic acid; secondary amino compound	antipyretic; drug allergen; EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor; environmental contaminant; non-narcotic analgesic; non-steroidal anti-inflammatory drug; xenobiotic
ddt	[no description available]	medium	1	0	benzenoid aromatic compound; chlorophenylethane; monochlorobenzenes; organochlorine insecticide	bridged diphenyl acaricide; carcinogenic agent; endocrine disruptor; persistent organic pollutant
diflunisal	[no description available]	medium	2	0	monohydroxybenzoic acid; organofluorine compound	non-narcotic analgesic; non-steroidal anti-inflammatory drug
diphenhydramine	[no description available]	medium	5	0	ether; tertiary amino compound	anti-allergic agent; antidyskinesia agent; antiemetic; antiparkinson drug; antipruritic drug; antitussive; H1-receptor antagonist; local anaesthetic; muscarinic antagonist; oneirogen; sedative
dipyridamole	[no description available]	high	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	1	0	monocarboxylic acid amide; pyridines; tertiary amino compound	anti-arrhythmia drug
disulfiram	[no description available]	medium	2	0	organic disulfide; organosulfur acaricide	angiogenesis inhibitor; antineoplastic agent; apoptosis inducer; EC 1.2.1.3 [aldehyde dehydrogenase (NAD(+))] inhibitor; EC 3.1.1.1 (carboxylesterase) inhibitor; EC 3.1.1.8 (cholinesterase) inhibitor; EC 5.99.1.2 (DNA topoisomerase) inhibitor; ferroptosis inducer; fungicide; NF-kappaB inhibitor
valproic acid	[no description available]	medium	1	0	branched-chain fatty acid; branched-chain saturated fatty acid	anticonvulsant; antimanic drug; EC 3.5.1.98 (histone deacetylase) inhibitor; GABA agent; neuroprotective agent; psychotropic drug; teratogenic agent
doxepin	[no description available]	medium	1	0	dibenzooxepine; tertiary amino compound	antidepressant
droperidol	[no description available]	medium	2	0	aromatic ketone; benzimidazoles; organofluorine compound	anaesthesia adjuvant; antiemetic; dopaminergic antagonist; first generation antipsychotic
econazole	[no description available]	medium	1	0	dichlorobenzene; ether; imidazoles; monochlorobenzenes
enflurane	[no description available]	medium	1	0	ether; organochlorine compound; organofluorine compound	anaesthetic
enoxacin	[no description available]	medium	1	0	1,8-naphthyridine derivative; amino acid; fluoroquinolone antibiotic; monocarboxylic acid; N-arylpiperazine; quinolone antibiotic	antibacterial drug; DNA synthesis inhibitor
estazolam	[no description available]	medium	1	0	triazoles; triazolobenzodiazepine	anticonvulsant; anxiolytic drug; GABA modulator
ethacrynic acid	[no description available]	medium	2	0	aromatic ether; aromatic ketone; dichlorobenzene; monocarboxylic acid	EC 2.5.1.18 (glutathione transferase) inhibitor; ion transport inhibitor; loop diuretic
ethoxzolamide	[no description available]	medium	2	0	aromatic ether; benzothiazoles; sulfonamide	antiglaucoma drug; diuretic; EC 4.2.1.1 (carbonic anhydrase) inhibitor
etodolac	[no description available]	medium	2	0	monocarboxylic acid; organic heterotricyclic compound	antipyretic; cyclooxygenase 2 inhibitor; non-narcotic analgesic; non-steroidal anti-inflammatory drug
brl 42810	[no description available]	medium	1	0	2-aminopurines; acetate ester	antiviral drug; prodrug
felbamate	[no description available]	medium	2	0	carbamate ester	anticonvulsant; neuroprotective agent
felodipine	[no description available]	medium	2	0	dichlorobenzene; dihydropyridine; ethyl ester; methyl ester	anti-arrhythmia drug; antihypertensive agent; calcium channel blocker; vasodilator agent
fenofibrate	[no description available]	medium	2	0	aromatic ether; chlorobenzophenone; isopropyl ester; monochlorobenzenes	antilipemic drug; environmental contaminant; geroprotector; xenobiotic
fentanyl	[no description available]	medium	1	0	anilide; monocarboxylic acid amide; piperidines	adjuvant; anaesthesia adjuvant; anaesthetic; intravenous anaesthetic; mu-opioid receptor agonist; opioid analgesic
flecainide	[no description available]	medium	1	0	aromatic ether; monocarboxylic acid amide; organofluorine compound; piperidines	anti-arrhythmia drug
fluconazole	[no description available]	medium	2	0	conazole antifungal drug; difluorobenzene; tertiary alcohol; triazole antifungal drug	environmental contaminant; P450 inhibitor; xenobiotic
flucytosine	[no description available]	medium	2	0	aminopyrimidine; nucleoside analogue; organofluorine compound; pyrimidine antifungal drug; pyrimidone	prodrug
flufenamic acid	[no description available]	medium	2	0	aromatic amino acid; organofluorine compound	antipyretic; EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor; non-narcotic analgesic; non-steroidal anti-inflammatory drug
flumazenil	[no description available]	medium	2	0	ethyl ester; imidazobenzodiazepine; organofluorine compound	antidote to benzodiazepine poisoning; GABA antagonist
flunitrazepam	[no description available]	medium	1	0	1,4-benzodiazepinone; C-nitro compound; monofluorobenzenes	anxiolytic drug; GABAA receptor agonist; sedative
fluorouracil	[no description available]	medium	97	0	nucleobase analogue; organofluorine compound	antimetabolite; antineoplastic agent; environmental contaminant; immunosuppressive agent; radiosensitizing agent; xenobiotic
fluorouracil	[no description available]	medium	97	20	nucleobase analogue; organofluorine compound	antimetabolite; antineoplastic agent; environmental contaminant; immunosuppressive agent; radiosensitizing agent; xenobiotic
fluoxetine	[no description available]	medium	1	0	(trifluoromethyl)benzenes; aromatic ether; secondary amino compound
flurbiprofen	[no description available]	medium	2	0	fluorobiphenyl; monocarboxylic acid	antipyretic; EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor; non-narcotic analgesic; non-steroidal anti-inflammatory drug
flutamide	[no description available]	medium	1	0	(trifluoromethyl)benzenes; monocarboxylic acid amide	androgen antagonist; antineoplastic agent
fomepizole	[no description available]	medium	1	0	pyrazoles	antidote; EC 1.1.1.1 (alcohol dehydrogenase) inhibitor; protective agent
furosemide	[no description available]	medium	1	0	chlorobenzoic acid; furans; sulfonamide	environmental contaminant; loop diuretic; xenobiotic
gemfibrozil	[no description available]	medium	2	0	aromatic ether	antilipemic drug
glafenine	[no description available]	medium	1	0	aminoquinoline; carboxylic ester; glycol; organochlorine compound; secondary amino compound	inhibitor; non-narcotic analgesic; non-steroidal anti-inflammatory drug
gliclazide	[no description available]	medium	1	0	N-sulfonylurea	hypoglycemic agent; insulin secretagogue; radical scavenger
glutethimide	[no description available]	medium	1	0	piperidines
glyburide	[no description available]	medium	2	0	monochlorobenzenes; N-sulfonylurea	anti-arrhythmia drug; EC 2.7.1.33 (pantothenate kinase) inhibitor; EC 3.6.3.49 (channel-conductance-controlling ATPase) inhibitor; hypoglycemic agent
gossypol	[no description available]	medium	2	0
guaiazulene	[no description available]	medium	1	0	sesquiterpene
fasudil	[no description available]	medium	1	0	isoquinolines; N-sulfonyldiazepane	antihypertensive agent; calcium channel blocker; EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor; geroprotector; neuroprotective agent; nootropic agent; vasodilator agent
haloperidol	[no description available]	medium	3	0	aromatic ketone; hydroxypiperidine; monochlorobenzenes; organofluorine compound; tertiary alcohol	antidyskinesia agent; antiemetic; dopaminergic antagonist; first generation antipsychotic; serotonergic antagonist
halothane	[no description available]	medium	1	0	haloalkane; organobromine compound; organochlorine compound; organofluorine compound	inhalation anaesthetic
hexachlorophene	[no description available]	medium	2	0	bridged diphenyl fungicide; polyphenol; trichlorobenzene	acaricide; antibacterial agent; antifungal agrochemical; antiseptic drug
miltefosine	[no description available]	medium	2	0	phosphocholines; phospholipid	anti-inflammatory agent; anticoronaviral agent; antifungal agent; antineoplastic agent; antiprotozoal drug; apoptosis inducer; immunomodulator; protein kinase inhibitor
hexestrol	[no description available]	medium	1	0	stilbenoid
hexetidine	[no description available]	medium	1	0	organic heteromonocyclic compound; organonitrogen heterocyclic compound
hexobarbital	[no description available]	medium	1	0	barbiturates
hydralazine	[no description available]	medium	1	0	azaarene; hydrazines; ortho-fused heteroarene; phthalazines	antihypertensive agent; vasodilator agent
hydrochlorothiazide	[no description available]	medium	2	0	benzothiadiazine; organochlorine compound; sulfonamide	antihypertensive agent; diuretic; environmental contaminant; xenobiotic
hydroxyurea	[no description available]	medium	1	0	one-carbon compound; ureas	antimetabolite; antimitotic; antineoplastic agent; DNA synthesis inhibitor; EC 1.17.4.1 (ribonucleoside-diphosphate reductase) inhibitor; genotoxin; immunomodulator; radical scavenger; teratogenic agent
hydroxyzine	[no description available]	medium	1	0	hydroxyether; monochlorobenzenes; N-alkylpiperazine	anticoronaviral agent; antipruritic drug; anxiolytic drug; dermatologic drug; H1-receptor antagonist
ibuprofen	[no description available]	medium	4	0	monocarboxylic acid	antipyretic; cyclooxygenase 1 inhibitor; cyclooxygenase 2 inhibitor; drug allergen; environmental contaminant; geroprotector; non-narcotic analgesic; non-steroidal anti-inflammatory drug; radical scavenger; xenobiotic
phenelzine	[no description available]	medium	1	0	primary amine
lidocaine	[no description available]	medium	14	0	benzenes; monocarboxylic acid amide; tertiary amino compound	anti-arrhythmia drug; drug allergen; environmental contaminant; local anaesthetic; xenobiotic
lidocaine	[no description available]	medium	14	1	benzenes; monocarboxylic acid amide; tertiary amino compound	anti-arrhythmia drug; drug allergen; environmental contaminant; local anaesthetic; xenobiotic
alverine	[no description available]	medium	1	0	tertiary amine	antispasmodic drug
idebenone	[no description available]	medium	1	0	1,4-benzoquinones; primary alcohol	antioxidant; ferroptosis inhibitor
ifosfamide	[no description available]	medium	1	0	ifosfamides	alkylating agent; antineoplastic agent; environmental contaminant; immunosuppressive agent; xenobiotic
imipramine	[no description available]	medium	2	0	dibenzoazepine	adrenergic uptake inhibitor; antidepressant; EC 3.4.21.26 (prolyl oligopeptidase) inhibitor
amrinone	[no description available]	medium	2	0	bipyridines	EC 3.1.4.* (phosphoric diester hydrolase) inhibitor
indapamide	[no description available]	medium	2	0	indoles; organochlorine compound; sulfonamide	antihypertensive agent; diuretic
indomethacin	[no description available]	medium	5	0	aromatic ether; indole-3-acetic acids; monochlorobenzenes; N-acylindole	analgesic; drug metabolite; EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor; environmental contaminant; gout suppressant; non-steroidal anti-inflammatory drug; xenobiotic metabolite; xenobiotic
iohexol	[no description available]	medium	1	0	benzenedicarboxamide; organoiodine compound	environmental contaminant; radioopaque medium; xenobiotic
iodipamide	[no description available]	medium	1	0	benzoic acids; organoiodine compound; secondary carboxamide	radioopaque medium
iproniazid	[no description available]	medium	4	0	carbohydrazide; pyridines
avapro	[no description available]	medium	1	0	azaspiro compound; biphenylyltetrazole	angiotensin receptor antagonist; antihypertensive agent; environmental contaminant; xenobiotic
isoflurane	[no description available]	medium	1	0	organofluorine compound	inhalation anaesthetic
isoniazid	[no description available]	medium	3	0	carbohydrazide	antitubercular agent; drug allergen
2-propanol	[no description available]	medium	3	0	secondary alcohol; secondary fatty alcohol	protic solvent
isoproterenol	[no description available]	high	6	0	catechols; secondary alcohol; secondary amino compound	beta-adrenergic agonist; bronchodilator agent; cardiotonic drug; sympathomimetic agent
isoxsuprine	[no description available]	medium	1	0	alkylbenzene
isradipine	[no description available]	medium	1	0	benzoxadiazole; dihydropyridine; isopropyl ester; methyl ester
itraconazole	[no description available]	medium	2	0	piperazines
ketamine	[no description available]	medium	1	0	cyclohexanones; monochlorobenzenes; secondary amino compound	analgesic; environmental contaminant; intravenous anaesthetic; neurotoxin; NMDA receptor antagonist; xenobiotic
ketanserin	[no description available]	medium	1	0	aromatic ketone; organofluorine compound; piperidines; quinazolines	alpha-adrenergic antagonist; antihypertensive agent; cardiovascular drug; EC 3.4.21.26 (prolyl oligopeptidase) inhibitor; serotonergic antagonist
ketoconazole	[no description available]	medium	2	0	dichlorobenzene; dioxolane; ether; imidazoles; N-acylpiperazine; N-arylpiperazine
ketoprofen	[no description available]	medium	2	0	benzophenones; oxo monocarboxylic acid	antipyretic; drug allergen; EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor; environmental contaminant; non-steroidal anti-inflammatory drug; xenobiotic
labetalol	[no description available]	medium	1	0	benzamides; benzenes; phenols; primary carboxamide; salicylamides; secondary alcohol; secondary amino compound
lamotrigine	[no description available]	medium	2	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	2	0	benzimidazoles; pyridines; sulfoxide	anti-ulcer drug; EC 3.6.3.10 (H(+)/K(+)-exchanging ATPase) inhibitor
beta-lapachone	[no description available]	medium	3	0	benzochromenone; orthoquinones	anti-inflammatory agent; antineoplastic agent; plant metabolite
leflunomide	[no description available]	medium	2	0	(trifluoromethyl)benzenes; isoxazoles; monocarboxylic acid amide	antineoplastic agent; antiparasitic agent; EC 1.3.98.1 [dihydroorotate oxidase (fumarate)] inhibitor; EC 3.1.3.16 (phosphoprotein phosphatase) inhibitor; hepatotoxic agent; immunosuppressive agent; non-steroidal anti-inflammatory drug; prodrug; pyrimidine synthesis inhibitor; tyrosine kinase inhibitor
lofepramine	[no description available]	medium	1	0	aromatic ketone; dibenzoazepine; monochlorobenzenes; tertiary amino compound	antidepressant
lomustine	[no description available]	medium	1	0	N-nitrosoureas; organochlorine compound	alkylating agent; antineoplastic agent
loperamide	[no description available]	medium	1	0	monocarboxylic acid amide; monochlorobenzenes; piperidines; tertiary alcohol	anticoronaviral agent; antidiarrhoeal drug; mu-opioid receptor agonist
losartan	[no description available]	medium	2	0	biphenylyltetrazole; imidazoles	angiotensin receptor antagonist; anti-arrhythmia drug; antihypertensive agent; endothelin receptor antagonist
losartan	[no description available]	medium	2	1	biphenylyltetrazole; imidazoles	angiotensin receptor antagonist; anti-arrhythmia drug; antihypertensive agent; endothelin receptor antagonist
malathion	[no description available]	medium	1	0	diester; ethyl ester; organic thiophosphate
diisopropyl 1,3-dithiol-2-ylidenemalonate	[no description available]	medium	1	0	isopropyl ester
mazindol	[no description available]	medium	1	0	organic molecular entity
mebendazole	[no description available]	medium	1	0	aromatic ketone; benzimidazoles; carbamate ester	antinematodal drug; microtubule-destabilising agent; tubulin modulator
meclizine	[no description available]	medium	1	0	diarylmethane
meclofenoxate	[no description available]	medium	1	0	monocarboxylic acid
mefenamic acid	[no description available]	medium	2	0	aminobenzoic acid; secondary amino compound	analgesic; antipyretic; antirheumatic drug; EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor; environmental contaminant; non-steroidal anti-inflammatory drug; xenobiotic
vitamin k 3	[no description available]	medium	3	0	1,4-naphthoquinones; vitamin K	angiogenesis inhibitor; antineoplastic agent; EC 3.4.22.69 (SARS coronavirus main proteinase) inhibitor; human urinary metabolite; nutraceutical
meperidine	[no description available]	medium	1	0	ethyl ester; piperidinecarboxylate ester; tertiary amino compound	antispasmodic drug; kappa-opioid receptor agonist; mu-opioid receptor agonist; opioid analgesic
mephenytoin	[no description available]	medium	1	0	imidazolidine-2,4-dione	anticonvulsant
mepivacaine	[no description available]	medium	1	0	piperidinecarboxamide	drug allergen; local anaesthetic
meprobamate	[no description available]	medium	1	0	organic molecular entity
mesalamine	[no description available]	medium	1	0	amino acid; aromatic amine; monocarboxylic acid; monohydroxybenzoic acid; phenols	non-steroidal anti-inflammatory drug
metformin	[no description available]	medium	6	0	guanidines	environmental contaminant; geroprotector; hypoglycemic agent; xenobiotic
methadone	[no description available]	medium	1	0	benzenes; diarylmethane; ketone; tertiary amino compound
methoxsalen	[no description available]	medium	28	0	aromatic ether; psoralens	antineoplastic agent; cross-linking reagent; dermatologic drug; photosensitizing agent; plant metabolite
methoxyflurane	[no description available]	medium	1	0	ether; organochlorine compound; organofluorine compound	hepatotoxic agent; inhalation anaesthetic; nephrotoxic agent; non-narcotic analgesic
methyl salicylate	[no description available]	medium	1	0	benzoate ester; methyl ester; salicylates	flavouring agent; insect attractant; metabolite
methylphenidate	[no description available]	medium	1	0	beta-amino acid ester; methyl ester; piperidines
methyprylon	[no description available]	medium	1	0	organic molecular entity
metoclopramide	[no description available]	medium	1	0	benzamides; monochlorobenzenes; substituted aniline; tertiary amino compound	antiemetic; dopaminergic antagonist; environmental contaminant; gastrointestinal drug; xenobiotic
metoprolol	[no description available]	medium	1	0	aromatic ether; propanolamine; secondary alcohol; secondary amino compound	antihypertensive agent; beta-adrenergic antagonist; environmental contaminant; geroprotector; xenobiotic
metronidazole	[no description available]	medium	2	0	C-nitro compound; imidazoles; primary alcohol	antiamoebic agent; antibacterial drug; antimicrobial agent; antiparasitic agent; antitrichomonal drug; environmental contaminant; prodrug; radiosensitizing agent; xenobiotic
metyrapone	[no description available]	medium	1	0	aromatic ketone	antimetabolite; diagnostic agent; EC 1.14.15.4 (steroid 11beta-monooxygenase) inhibitor
mianserin	[no description available]	medium	1	0	dibenzoazepine	adrenergic uptake inhibitor; alpha-adrenergic antagonist; antidepressant; EC 3.4.21.26 (prolyl oligopeptidase) inhibitor; geroprotector; H1-receptor antagonist; histamine agonist; sedative; serotonergic antagonist
miconazole	[no description available]	medium	1	0	dichlorobenzene; ether; imidazoles
midazolam	[no description available]	medium	1	0	imidazobenzodiazepine; monofluorobenzenes; organochlorine compound	anticonvulsant; antineoplastic agent; anxiolytic drug; apoptosis inducer; central nervous system depressant; GABAA receptor agonist; general anaesthetic; muscle relaxant; sedative
minoxidil	[no description available]	medium	3	0	dialkylarylamine; tertiary amino compound
mirtazapine	[no description available]	medium	1	0	benzazepine; tetracyclic antidepressant	alpha-adrenergic antagonist; anxiolytic drug; H1-receptor antagonist; histamine antagonist; oneirogen; serotonergic antagonist
mitotane	[no description available]	medium	1	0	diarylmethane
mitoxantrone	[no description available]	medium	5	0	dihydroxyanthraquinone	analgesic; antineoplastic agent
modafinil	[no description available]	medium	1	0	monocarboxylic acid amide; sulfoxide
moxisylyte	[no description available]	medium	1	0	monoterpenoid
deet	[no description available]	medium	1	0	benzamides; monocarboxylic acid amide	environmental contaminant; insect repellent; xenobiotic
nabumetone	[no description available]	medium	2	0	methoxynaphthalene; methyl ketone	cyclooxygenase 2 inhibitor; non-narcotic analgesic; non-steroidal anti-inflammatory drug; prodrug
nalidixic acid	[no description available]	medium	3	0	1,8-naphthyridine derivative; monocarboxylic acid; quinolone antibiotic	antibacterial drug; antimicrobial agent; DNA synthesis inhibitor
nefazodone	[no description available]	medium	1	0	aromatic ether; monochlorobenzenes; N-alkylpiperazine; N-arylpiperazine; triazoles	alpha-adrenergic antagonist; analgesic; antidepressant; serotonergic antagonist; serotonin uptake inhibitor
nevirapine	[no description available]	medium	2	0	cyclopropanes; dipyridodiazepine	antiviral drug; HIV-1 reverse transcriptase inhibitor
nialamide	[no description available]	medium	2	0	organonitrogen compound; organooxygen compound
niceritrol	[no description available]	medium	1	0	organic molecular entity
nifedipine	[no description available]	medium	3	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	2	0	aromatic ether; C-nitro compound; sulfonamide	cyclooxygenase 2 inhibitor; non-steroidal anti-inflammatory drug
nimodipine	[no description available]	medium	3	0	2-methoxyethyl ester; C-nitro compound; dicarboxylic acids and O-substituted derivatives; diester; dihydropyridine; isopropyl ester	antihypertensive agent; calcium channel blocker; cardiovascular drug; vasodilator agent
nisoldipine	[no description available]	medium	1	0	C-nitro compound; dicarboxylic acids and O-substituted derivatives; diester; dihydropyridine; methyl ester
nitrazepam	[no description available]	medium	1	0	1,4-benzodiazepinone; C-nitro compound	anticonvulsant; antispasmodic drug; drug metabolite; GABA modulator; sedative
nitrendipine	[no description available]	medium	2	0	C-nitro compound; dicarboxylic acids and O-substituted derivatives; diester; dihydropyridine; ethyl ester; methyl ester	antihypertensive agent; calcium channel blocker; geroprotector; vasodilator agent
nitroglycerin	[no description available]	high	5	0	nitroglycerol	explosive; muscle relaxant; nitric oxide donor; prodrug; tocolytic agent; vasodilator agent; xenobiotic
nizatidine	[no description available]	medium	1	0	1,3-thiazoles; C-nitro compound; carboxamidine; organic sulfide; tertiary amino compound	anti-ulcer drug; cholinergic drug; H2-receptor antagonist
masoprocol	[no description available]	medium	1	0	catechols; lignan; tetrol	antioxidant; ferroptosis inhibitor; geroprotector; plant metabolite
norfloxacin	[no description available]	medium	2	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
omeprazole	[no description available]	medium	3	0	aromatic ether; benzimidazoles; pyridines; sulfoxide
ondansetron	[no description available]	medium	1	0	carbazoles
orphenadrine	[no description available]	medium	1	0	ether; tertiary amino compound	antidyskinesia agent; antiparkinson drug; H1-receptor antagonist; muscarinic antagonist; muscle relaxant; NMDA receptor antagonist; parasympatholytic
oxamniquine	[no description available]	medium	1	0	aromatic primary alcohol; C-nitro compound; quinolines; secondary amino compound
oxaprozin	[no description available]	medium	2	0	1,3-oxazoles; monocarboxylic acid	analgesic; non-steroidal anti-inflammatory drug
oxazepam	[no description available]	medium	1	0	1,4-benzodiazepinone; organochlorine compound	anxiolytic drug; environmental contaminant; xenobiotic
oxethazaine	[no description available]	medium	1	0	amino acid amide
oxprenolol	[no description available]	medium	1	0	aromatic ether
oxybenzone	[no description available]	medium	1	0	hydroxybenzophenone; monomethoxybenzene	dermatologic drug; environmental contaminant; protective agent; ultraviolet filter; xenobiotic
oxyphenbutazone	[no description available]	medium	1	0	phenols; pyrazolidines	antimicrobial agent; antineoplastic agent; antipyretic; drug metabolite; gout suppressant; non-narcotic analgesic; non-steroidal anti-inflammatory drug; xenobiotic metabolite
aminosalicylic acid	[no description available]	medium	2	0	aminobenzoic acid; phenols	antitubercular agent
pantoprazole	[no description available]	medium	1	0	aromatic ether; benzimidazoles; organofluorine compound; pyridines; sulfoxide	anti-ulcer drug; EC 3.6.3.10 (H(+)/K(+)-exchanging ATPase) inhibitor; environmental contaminant; xenobiotic
pemoline	[no description available]	medium	1	0	1,3-oxazoles	central nervous system stimulant
pentobarbital	[no description available]	medium	1	0	barbiturates	GABAA receptor agonist
pentoxifylline	[no description available]	medium	8	0	oxopurine
perazine	[no description available]	medium	1	0	N-alkylpiperazine; N-methylpiperazine; phenothiazines	dopaminergic antagonist; phenothiazine antipsychotic drug
perphenazine	[no description available]	medium	2	0	N-(2-hydroxyethyl)piperazine; N-alkylpiperazine; organochlorine compound; phenothiazines	antiemetic; dopaminergic antagonist; phenothiazine antipsychotic drug
phenacetin	[no description available]	medium	1	0	acetamides; aromatic ether	cyclooxygenase 3 inhibitor; non-narcotic analgesic; peripheral nervous system drug
phenobarbital	[no description available]	medium	5	0	barbiturates	anticonvulsant; drug allergen; excitatory amino acid antagonist; sedative
phenolphthalein	[no description available]	medium	2	0	phenols
phenoxybenzamine	[no description available]	medium	1	0	aromatic amine
phenylbutazone	[no description available]	medium	3	0	pyrazolidines	antirheumatic drug; EC 1.1.1.184 [carbonyl reductase (NADPH)] inhibitor; metabolite; non-narcotic analgesic; non-steroidal anti-inflammatory drug; peripheral nervous system drug
moxonidine	[no description available]	medium	1	0	organohalogen compound; pyrimidines
pinacidil	[no description available]	medium	2	0	pyridines
pipemidic acid	[no description available]	medium	2	0	amino acid; monocarboxylic acid; N-arylpiperazine; pyridopyrimidine; quinolone antibiotic	antibacterial drug; DNA synthesis inhibitor
piperazine	[no description available]	medium	1	0	azacycloalkane; piperazines; saturated organic heteromonocyclic parent	anthelminthic drug
praziquantel	[no description available]	medium	2	0	isoquinolines
prazosin	[no description available]	medium	1	0	aromatic ether; furans; monocarboxylic acid amide; piperazines; quinazolines	alpha-adrenergic antagonist; antihypertensive agent; EC 3.4.21.26 (prolyl oligopeptidase) inhibitor
primaquine	[no description available]	medium	1	0	aminoquinoline; aromatic ether; N-substituted diamine	antimalarial
primidone	[no description available]	medium	2	0	pyrimidone	anticonvulsant; environmental contaminant; xenobiotic
probenecid	[no description available]	medium	2	0	benzoic acids; sulfonamide	uricosuric drug
probucol	[no description available]	medium	2	0	dithioketal; polyphenol	anti-inflammatory drug; anticholesteremic drug; antilipemic drug; antioxidant; cardiovascular drug
procainamide	[no description available]	medium	2	0	benzamides	anti-arrhythmia drug; platelet aggregation inhibitor; sodium channel blocker
procarbazine	[no description available]	medium	1	0	benzamides; hydrazines	antineoplastic agent
prochlorperazine	[no description available]	medium	2	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	3	0	phenothiazines; tertiary amine	anti-allergic agent; anticoronaviral agent; antiemetic; antipruritic drug; H1-receptor antagonist; local anaesthetic; sedative
propofol	[no description available]	medium	1	0	phenols	anticonvulsant; antiemetic; intravenous anaesthetic; radical scavenger; sedative
propranolol	[no description available]	high	3	0	naphthalenes; propanolamine; secondary amine	anti-arrhythmia drug; antihypertensive agent; anxiolytic drug; beta-adrenergic antagonist; environmental contaminant; human blood serum metabolite; vasodilator agent; xenobiotic
pyridinolcarbamate	[no description available]	medium	1	0	pyridines
pyrimethamine	[no description available]	medium	2	0	aminopyrimidine; monochlorobenzenes	antimalarial; antiprotozoal drug; EC 1.5.1.3 (dihydrofolate reductase) inhibitor
ranitidine	[no description available]	medium	1	0	aralkylamine
opc 12759	[no description available]	medium	1	0	secondary carboxamide
riluzole	[no description available]	medium	2	0	benzothiazoles
risperidone	[no description available]	medium	1	0	1,2-benzoxazoles; heteroarylpiperidine; organofluorine compound; pyridopyrimidine	alpha-adrenergic antagonist; dopaminergic antagonist; EC 3.4.21.26 (prolyl oligopeptidase) inhibitor; H1-receptor antagonist; psychotropic drug; second generation antipsychotic; serotonergic antagonist
rofecoxib	[no description available]	medium	1	0	butenolide; sulfone	analgesic; cyclooxygenase 2 inhibitor; non-steroidal anti-inflammatory drug
salicylamide	[no description available]	medium	2	0	phenols; salicylamides	antirheumatic drug; non-narcotic analgesic
sevoflurane	[no description available]	medium	2	0	ether; organofluorine compound	central nervous system depressant; inhalation anaesthetic; platelet aggregation inhibitor
sibutramine	[no description available]	medium	1	0	organochlorine compound; tertiary amino compound	anti-obesity agent; serotonin uptake inhibitor
sulfadiazine	[no description available]	medium	1	0	pyrimidines; substituted aniline; sulfonamide antibiotic; sulfonamide	antiinfective agent; antimicrobial agent; antiprotozoal drug; coccidiostat; drug allergen; EC 1.1.1.153 [sepiapterin reductase (L-erythro-7,8-dihydrobiopterin forming)] inhibitor; EC 2.5.1.15 (dihydropteroate synthase) inhibitor; environmental contaminant; xenobiotic
sotalol	[no description available]	medium	1	0	ethanolamines; secondary alcohol; secondary amino compound; sulfonamide	anti-arrhythmia drug; beta-adrenergic antagonist; environmental contaminant; xenobiotic
4-phenylbutyric acid, sodium salt	[no description available]	medium	1	0	organic sodium salt	EC 3.5.1.98 (histone deacetylase) inhibitor; geroprotector; neuroprotective agent; orphan drug; prodrug
vorinostat	[no description available]	medium	1	0	dicarboxylic acid diamide; hydroxamic acid	antineoplastic agent; apoptosis inducer; EC 3.5.1.98 (histone deacetylase) inhibitor
sulfadimethoxine	[no description available]	medium	2	0	aromatic ether; pyrimidines; substituted aniline; sulfonamide antibiotic; sulfonamide	antiinfective agent; antimicrobial agent; drug allergen; environmental contaminant; xenobiotic
sulfamerazine	[no description available]	medium	2	0	pyrimidines; sulfonamide antibiotic; sulfonamide	antiinfective agent; drug allergen
sulfameter	[no description available]	medium	1	0	pyrimidines; sulfonamide antibiotic; sulfonamide	antiinfective agent; leprostatic drug; renal agent
sulfamethazine	[no description available]	medium	2	0	pyrimidines; sulfonamide antibiotic; sulfonamide	antibacterial drug; antiinfective agent; antimicrobial agent; carcinogenic agent; drug allergen; EC 2.5.1.15 (dihydropteroate synthase) inhibitor; environmental contaminant; ligand; xenobiotic
sulfamethizole	[no description available]	medium	2	0	sulfonamide antibiotic; sulfonamide; thiadiazoles	antiinfective agent; antimicrobial agent; drug allergen; EC 2.5.1.15 (dihydropteroate synthase) inhibitor
sulfamethoxazole	[no description available]	medium	2	0	isoxazoles; substituted aniline; sulfonamide antibiotic; sulfonamide	antibacterial agent; antiinfective agent; antimicrobial agent; drug allergen; EC 1.1.1.153 [sepiapterin reductase (L-erythro-7,8-dihydrobiopterin forming)] inhibitor; EC 2.5.1.15 (dihydropteroate synthase) inhibitor; environmental contaminant; epitope; P450 inhibitor; xenobiotic
sulfanilamide	[no description available]	medium	1	0	substituted aniline; sulfonamide antibiotic; sulfonamide	antibacterial agent; drug allergen; EC 4.2.1.1 (carbonic anhydrase) inhibitor
sulfaphenazole	[no description available]	medium	1	0	primary amino compound; pyrazoles; substituted aniline; sulfonamide antibiotic; sulfonamide	antibacterial drug; EC 1.14.13.181 (13-deoxydaunorubicin hydroxylase) inhibitor; EC 1.14.13.67 (quinine 3-monooxygenase) inhibitor; P450 inhibitor
sulfapyridine	[no description available]	medium	1	0	pyridines; substituted aniline; sulfonamide antibiotic; sulfonamide	antiinfective agent; dermatologic drug; drug allergen; environmental contaminant; xenobiotic
sulfasalazine	[no description available]	medium	1	0
sulfinpyrazone	[no description available]	medium	1	0	pyrazolidines; sulfoxide	uricosuric drug
2-(octylamino)-1-[4-(propan-2-ylthio)phenyl]-1-propanol	[no description available]	medium	1	0	alkylbenzene
sulpiride	[no description available]	medium	1	0	benzamides; N-alkylpyrrolidine; sulfonamide	antidepressant; antiemetic; antipsychotic agent; dopaminergic antagonist
suprofen	[no description available]	medium	1	0	aromatic ketone; monocarboxylic acid; thiophenes	antirheumatic drug; drug allergen; EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor; non-narcotic analgesic; non-steroidal anti-inflammatory drug; peripheral nervous system drug
gatifloxacin	[no description available]	medium	1	0	N-arylpiperazine; organofluorine compound; quinolinemonocarboxylic acid; quinolone antibiotic; quinolone	antiinfective agent; antimicrobial agent; EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor
tegafur	[no description available]	medium	2	0	organohalogen compound; pyrimidines
temazepam	[no description available]	medium	1	0	benzodiazepine
temozolomide	[no description available]	medium	1	0	imidazotetrazine; monocarboxylic acid amide; triazene derivative	alkylating agent; antineoplastic agent; prodrug
terbutaline	[no description available]	medium	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
terfenadine	[no description available]	medium	2	0	diarylmethane
tetracaine	[no description available]	medium	1	0	benzoate ester; tertiary amino compound	local anaesthetic
thalidomide	[no description available]	medium	2	0	phthalimides; piperidones
thiabendazole	[no description available]	medium	2	0	1,3-thiazoles; benzimidazole fungicide; benzimidazoles	antifungal agrochemical; antinematodal drug
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
tiaprofenic acid	[no description available]	medium	1	0	aromatic ketone; monocarboxylic acid; thiophenes	drug allergen; non-steroidal anti-inflammatory drug
ticlopidine	[no description available]	medium	1	0	monochlorobenzenes; thienopyridine	anticoagulant; fibrin modulating drug; hematologic agent; P2Y12 receptor antagonist; platelet aggregation inhibitor
tiopronin	[no description available]	medium	1	0	N-acyl-amino acid
tizanidine	[no description available]	medium	1	0	benzothiadiazole; imidazoles	alpha-adrenergic agonist; muscle relaxant
tolazamide	[no description available]	medium	2	0	N-sulfonylurea	hypoglycemic agent; potassium channel blocker
tolbutamide	[no description available]	medium	2	0	N-sulfonylurea	human metabolite; hypoglycemic agent; insulin secretagogue; potassium channel blocker
tolperisone	[no description available]	medium	1	0	aromatic ketone
ultram	[no description available]	medium	1	0	aromatic ether; tertiary alcohol; tertiary amino compound
tranexamic acid	[no description available]	medium	1	0	amino acid
trazodone	[no description available]	medium	1	0	monochlorobenzenes; N-alkylpiperazine; N-arylpiperazine; triazolopyridine	adrenergic antagonist; antidepressant; anxiolytic drug; H1-receptor antagonist; sedative; serotonin uptake inhibitor
triclosan	[no description available]	medium	1	0	aromatic ether; dichlorobenzene; monochlorobenzenes; phenols	antibacterial agent; antimalarial; drug allergen; EC 1.3.1.9 [enoyl-[acyl-carrier-protein] reductase (NADH)] inhibitor; EC 1.5.1.3 (dihydrofolate reductase) inhibitor; fungicide; persistent organic pollutant; xenobiotic
triflupromazine	[no description available]	medium	1	0	organofluorine compound; phenothiazines; tertiary amine	anticoronaviral agent; antiemetic; dopaminergic antagonist; first generation antipsychotic
trimethadione	[no description available]	medium	1	0	oxazolidinone	anticonvulsant; geroprotector
trimethoprim	[no description available]	medium	2	0	aminopyrimidine; methoxybenzenes	antibacterial drug; diuretic; drug allergen; EC 1.5.1.3 (dihydrofolate reductase) inhibitor; environmental contaminant; xenobiotic
troglitazone	[no description available]	medium	2	0	chromanes; thiazolidinone	anticoagulant; anticonvulsant; antineoplastic agent; antioxidant; EC 6.2.1.3 (long-chain-fatty-acid--CoA ligase) inhibitor; ferroptosis inhibitor; hypoglycemic agent; platelet aggregation inhibitor; vasodilator agent
venlafaxine	[no description available]	medium	1	0	cyclohexanols; monomethoxybenzene; tertiary alcohol; tertiary amino compound	adrenergic uptake inhibitor; analgesic; antidepressant; dopamine uptake inhibitor; environmental contaminant; serotonin uptake inhibitor; xenobiotic
vesnarinone	[no description available]	medium	1	0	organic molecular entity
vigabatrin	[no description available]	medium	1	0	gamma-amino acid	anticonvulsant; EC 2.6.1.19 (4-aminobutyrate--2-oxoglutarate transaminase) inhibitor
ici 204,219	[no description available]	medium	1	0	carbamate ester; indoles; N-sulfonylcarboxamide	anti-asthmatic agent; leukotriene antagonist
zolpidem	[no description available]	medium	1	0	imidazopyridine	central nervous system depressant; GABA agonist; sedative
guanidine hydrochloride	[no description available]	medium	1	0	one-carbon compound; organic chloride salt	protein denaturant
hydrocortisone acetate	[no description available]	medium	2	0	cortisol ester; tertiary alpha-hydroxy ketone
cortisone acetate	[no description available]	medium	1	0	corticosteroid hormone
mitomycin	[no description available]	medium	19	0	mitomycin	alkylating agent; antineoplastic agent
mitomycin	[no description available]	medium	19	2	mitomycin	alkylating agent; antineoplastic agent
prednisolone	[no description available]	medium	12	0	11beta-hydroxy steroid; 17alpha-hydroxy steroid; 20-oxo steroid; 21-hydroxy steroid; 3-oxo-Delta(1),Delta(4)-steroid; C21-steroid; glucocorticoid; primary alpha-hydroxy ketone; tertiary alpha-hydroxy ketone	adrenergic agent; anti-inflammatory drug; antineoplastic agent; drug metabolite; environmental contaminant; immunosuppressive agent; xenobiotic
estriol	[no description available]	medium	1	0	16alpha-hydroxy steroid; 17beta-hydroxy steroid; 3-hydroxy steroid	estrogen; human metabolite; human xenobiotic metabolite; mouse metabolite
reserpine	[no description available]	medium	4	0	alkaloid ester; methyl ester; yohimban alkaloid	adrenergic uptake inhibitor; antihypertensive agent; EC 3.4.21.26 (prolyl oligopeptidase) inhibitor; environmental contaminant; first generation antipsychotic; plant metabolite; xenobiotic
cephaloridine	[no description available]	medium	1	0	beta-lactam antibiotic allergen; cephalosporin; semisynthetic derivative	antibacterial drug
phentolamine	[no description available]	medium	2	0	imidazoles; phenols; substituted aniline; tertiary amino compound	alpha-adrenergic antagonist; vasodilator agent
sorbitol	[no description available]	medium	1	0	glucitol	cathartic; Escherichia coli metabolite; food humectant; human metabolite; laxative; metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite; sweetening agent
floxuridine	[no description available]	medium	2	0	nucleoside analogue; organofluorine compound; pyrimidine 2'-deoxyribonucleoside	antimetabolite; antineoplastic agent; antiviral drug; radiosensitizing agent
piperonyl butoxide	[no description available]	medium	1	0	benzodioxoles	pesticide synergist
bromouracil	[no description available]	medium	1	0	nucleobase analogue; pyrimidines	mutagen
3,3',5-triiodothyroacetic acid	[no description available]	medium	1	0
histamine dihydrochloride	[no description available]	medium	1	0
thyroxine	[no description available]	medium	1	0	2-halophenol; iodophenol; L-phenylalanine derivative; non-proteinogenic L-alpha-amino acid; thyroxine zwitterion; thyroxine	antithyroid drug; human metabolite; mouse metabolite; thyroid hormone
dextroamphetamine	[no description available]	medium	1	0	1-phenylpropan-2-amine	adrenergic agent; adrenergic uptake inhibitor; dopamine uptake inhibitor; dopaminergic agent; neurotoxin; sympathomimetic agent
carbachol	[no description available]	medium	1	0	ammonium salt; carbamate ester	cardiotonic drug; miotic; muscarinic agonist; nicotinic acetylcholine receptor agonist; non-narcotic analgesic
norethindrone acetate	[no description available]	medium	1	0	3-oxo-Delta(4) steroid; acetate ester; terminal acetylenic compound	progestin; synthetic oral contraceptive
spironolactone	[no description available]	medium	2	0	3-oxo-Delta(4) steroid; oxaspiro compound; steroid lactone; thioester	aldosterone antagonist; antihypertensive agent; diuretic; environmental contaminant; xenobiotic
cyclobarbital	[no description available]	medium	1	0	barbiturates
allobarbital	[no description available]	medium	1	0	barbiturates
penicillamine	[no description available]	medium	8	0	non-proteinogenic alpha-amino acid; penicillamine	antirheumatic drug; chelator; copper chelator; drug allergen
penicillamine	[no description available]	medium	8	1	non-proteinogenic alpha-amino acid; penicillamine	antirheumatic drug; chelator; copper chelator; drug allergen
trichlorfon	[no description available]	medium	2	0	organic phosphonate; organochlorine compound; phosphonic ester	agrochemical; anthelminthic drug; EC 3.1.1.7 (acetylcholinesterase) inhibitor; EC 3.1.1.8 (cholinesterase) inhibitor; insecticide
prednisone	[no description available]	medium	6	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
prednisone	[no description available]	medium	6	1	11-oxo steroid; 17alpha-hydroxy steroid; 20-oxo steroid; 21-hydroxy steroid; 3-oxo-Delta(1),Delta(4)-steroid; C21-steroid; glucocorticoid; primary alpha-hydroxy ketone; tertiary alpha-hydroxy ketone	adrenergic agent; anti-inflammatory drug; antineoplastic agent; immunosuppressive agent; prodrug
estrone	[no description available]	medium	4	0	17-oxo steroid; 3-hydroxy steroid; phenolic steroid; phenols	antineoplastic agent; bone density conservation agent; estrogen; human metabolite; mouse metabolite
oxandrolone	[no description available]	medium	2	0	17beta-hydroxy steroid; 3-oxo steroid; anabolic androgenic steroid; oxa-steroid	anabolic agent; androgen
dehydroepiandrosterone	[no description available]	medium	1	0	17-oxo steroid; 3beta-hydroxy-Delta(5)-steroid; androstanoid	androgen; human metabolite; mouse metabolite
nad	[no description available]	medium	1	0	NAD	geroprotector
penicillin g	[no description available]	medium	1	0	penicillin allergen; penicillin	antibacterial drug; drug allergen; epitope
pilocarpine	[no description available]	medium	1	0	pilocarpine	antiglaucoma drug
triiodothyronine	[no description available]	medium	1	0	2-halophenol; amino acid zwitterion; iodophenol; iodothyronine	human metabolite; mouse metabolite; thyroid hormone
chloramphenicol	[no description available]	medium	3	0	C-nitro compound; carboxamide; diol; organochlorine compound	antibacterial drug; antimicrobial agent; Escherichia coli metabolite; geroprotector; Mycoplasma genitalium metabolite; protein synthesis inhibitor
glutamine	[no description available]	medium	2	0	amino acid zwitterion; glutamine family amino acid; glutamine; L-alpha-amino acid; polar amino acid zwitterion; proteinogenic amino acid	EC 1.14.13.39 (nitric oxide synthase) inhibitor; Escherichia coli metabolite; human metabolite; metabolite; micronutrient; mouse metabolite; nutraceutical; Saccharomyces cerevisiae metabolite
cetrimonium bromide	[no description available]	medium	1	0	organic bromide salt; quaternary ammonium salt	detergent; surfactant
physostigmine	[no description available]	medium	2	0	carbamate ester; indole alkaloid	antidote to curare poisoning; EC 3.1.1.8 (cholinesterase) inhibitor; miotic
sucrose	[no description available]	medium	4	0	glycosyl glycoside	algal metabolite; Escherichia coli metabolite; human metabolite; mouse metabolite; osmolyte; Saccharomyces cerevisiae metabolite; sweetening agent
ethinyl estradiol	[no description available]	medium	2	0	17-hydroxy steroid; 3-hydroxy steroid; terminal acetylenic compound	xenoestrogen
testosterone propionate	[no description available]	medium	1	0	steroid ester
apomorphine	[no description available]	medium	1	0	aporphine alkaloid	alpha-adrenergic drug; antidyskinesia agent; antiparkinson drug; dopamine agonist; emetic; serotonergic drug
aminopyrine	[no description available]	medium	2	0	pyrazolone; tertiary amino compound	antipyretic; environmental contaminant; non-narcotic analgesic; non-steroidal anti-inflammatory drug; xenobiotic
methyltestosterone	[no description available]	medium	1	0	17beta-hydroxy steroid; 3-oxo-Delta(4) steroid; enone	anabolic agent; androgen; antineoplastic agent
tetrabenazine	[no description available]	medium	1	0	benzoquinolizine; cyclic ketone; tertiary amino compound
cephalothin	[no description available]	medium	1	0	azabicycloalkene; beta-lactam antibiotic allergen; carboxylic acid; cephalosporin; semisynthetic derivative; thiophenes	antibacterial drug; antimicrobial agent
uridine	[no description available]	medium	2	0	uridines	drug metabolite; fundamental metabolite; human metabolite
kanamycin a	[no description available]	medium	2	0	kanamycins	bacterial metabolite
levodopa	[no description available]	medium	1	0	amino acid zwitterion; dopa; L-tyrosine derivative; non-proteinogenic L-alpha-amino acid	allelochemical; antidyskinesia agent; antiparkinson drug; dopaminergic agent; hapten; human metabolite; mouse metabolite; neurotoxin; plant growth retardant; plant metabolite; prodrug
niridazole	[no description available]	medium	1	0	1,3-thiazoles; C-nitro compound
carbaryl	[no description available]	medium	1	0	carbamate ester; naphthalenes	acaricide; agrochemical; carbamate insecticide; EC 3.1.1.7 (acetylcholinesterase) inhibitor; EC 3.1.1.8 (cholinesterase) inhibitor; plant growth retardant
lactose	[no description available]	medium	1	0	lactose
methionine	[no description available]	medium	1	0	aspartate family amino acid; L-alpha-amino acid; methionine zwitterion; methionine; proteinogenic amino acid	antidote to paracetamol poisoning; human metabolite; micronutrient; mouse metabolite; nutraceutical
Mebutamate	[no description available]	medium	1	0	organic molecular entity
norethindrone	[no description available]	medium	1	0	17beta-hydroxy steroid; 3-oxo-Delta(4) steroid; terminal acetylenic compound; tertiary alcohol	progestin; synthetic oral contraceptive
norethynodrel	[no description available]	medium	2	0	oxo steroid
benziodarone	[no description available]	medium	1	0	aromatic ketone
ampicillin	[no description available]	medium	3	0	beta-lactam antibiotic; penicillin allergen; penicillin	antibacterial drug
mannitol	[no description available]	medium	2	0	mannitol	allergen; antiglaucoma drug; compatible osmolytes; Escherichia coli metabolite; food anticaking agent; food bulking agent; food humectant; food stabiliser; food thickening agent; hapten; metabolite; osmotic diuretic; sweetening agent
cytarabine	[no description available]	medium	1	0	beta-D-arabinoside; monosaccharide derivative; pyrimidine nucleoside	antimetabolite; antineoplastic agent; antiviral agent; immunosuppressive agent
medroxyprogesterone acetate	[no description available]	medium	2	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
methaqualone	[no description available]	medium	1	0	quinazolines	GABA agonist; sedative
trypan blue	[no description available]	medium	1	0
cordycepin	[no description available]	medium	1	0	3'-deoxyribonucleoside; adenosines	antimetabolite; nucleoside antibiotic
tryptophan	[no description available]	medium	1	0	erythrose 4-phosphate/phosphoenolpyruvate family amino acid; L-alpha-amino acid zwitterion; L-alpha-amino acid; proteinogenic amino acid; tryptophan zwitterion; tryptophan	antidepressant; Escherichia coli metabolite; human metabolite; micronutrient; mouse metabolite; nutraceutical; plant metabolite; Saccharomyces cerevisiae metabolite
arginine	[no description available]	medium	3	0	arginine; glutamine family amino acid; L-alpha-amino acid; proteinogenic amino acid	biomarker; Escherichia coli metabolite; micronutrient; mouse metabolite; nutraceutical
trichloroacetic acid	[no description available]	medium	1	0	monocarboxylic acid; organochlorine compound	carcinogenic agent; metabolite; mouse metabolite
triamcinolone acetonide	[no description available]	medium	202	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
triamcinolone acetonide	[no description available]	medium	202	35	11beta-hydroxy steroid; 20-oxo steroid; 21-hydroxy steroid; 3-oxo-Delta(4) steroid; cyclic ketal; fluorinated steroid; glucocorticoid; primary alpha-hydroxy ketone	anti-allergic agent; anti-inflammatory drug
allylpropymal	[no description available]	medium	1	0	barbiturates
butobarbital	[no description available]	medium	1	0	barbiturates
trichloroethylene	[no description available]	medium	1	0	chloroethenes	inhalation anaesthetic; mouse metabolite
dehydrocholic acid	[no description available]	medium	2	0	12-oxo steroid; 3-oxo-5beta-steroid; 7-oxo steroid; oxo-5beta-cholanic acid	gastrointestinal drug
methylprednisolone	[no description available]	medium	8	0	6-methylprednisolone; primary alpha-hydroxy ketone; tertiary alpha-hydroxy ketone	adrenergic agent; anti-inflammatory drug; antiemetic; environmental contaminant; neuroprotective agent; xenobiotic
isosorbide dinitrate	[no description available]	medium	1	0	glucitol derivative; nitrate ester	nitric oxide donor; vasodilator agent
synephrine	[no description available]	medium	1	0	ethanolamines; phenethylamine alkaloid; phenols	alpha-adrenergic agonist; plant metabolite
benzoyl peroxide	[no description available]	medium	2	0	carbonyl compound
furan	[no description available]	medium	1	0	furans; mancude organic heteromonocyclic parent; monocyclic heteroarene	carcinogenic agent; hepatotoxic agent; Maillard reaction product
ergotamine	[no description available]	medium	1	0	peptide ergot alkaloid	alpha-adrenergic agonist; mycotoxin; non-narcotic analgesic; oxytocic; serotonergic agonist; vasoconstrictor agent
neostigmine bromide	[no description available]	medium	2	0	bromide salt
phenformin	[no description available]	medium	1	0	biguanides	antineoplastic agent; geroprotector; hypoglycemic agent
mephobarbital	[no description available]	medium	1	0	barbiturates	anticonvulsant
hexachlorobenzene	[no description available]	medium	1	0	aromatic fungicide; chlorobenzenes	antifungal agrochemical; carcinogenic agent; persistent organic pollutant
trinitrotoluene	[no description available]	medium	1	0	trinitrotoluene	explosive
framycetin	[no description available]	medium	5	0	aminoglycoside	allergen; antibacterial drug; Escherichia coli metabolite
pyrazolanthrone	[no description available]	medium	1	0	anthrapyrazole; aromatic ketone; cyclic ketone	antineoplastic agent; c-Jun N-terminal kinase inhibitor; geroprotector
meglumine	[no description available]	medium	1	0	hexosamine; secondary amino compound
cinchophen	[no description available]	medium	2	0	quinolines
yohimbine	[no description available]	medium	1	0	methyl 17-hydroxy-20xi-yohimban-16-carboxylate	alpha-adrenergic antagonist; dopamine receptor D2 antagonist; serotonergic antagonist
mequinol	[no description available]	medium	1	0	methoxybenzenes; phenols	metabolite
quinestrol	[no description available]	medium	2	0	17-hydroxy steroid; terminal acetylenic compound	xenoestrogen
dydrogesterone	[no description available]	medium	1	0	20-oxo steroid; 3-oxo-Delta(4) steroid	progestin
ephedrine	[no description available]	medium	5	0	phenethylamine alkaloid; phenylethanolamines	bacterial metabolite; environmental contaminant; nasal decongestant; plant metabolite; sympathomimetic agent; vasoconstrictor agent; xenobiotic
chlormadinone acetate	[no description available]	medium	2	0	corticosteroid hormone
2,3-dimercaptosuccinic acid	[no description available]	medium	1	0
evans blue	[no description available]	medium	1	0	organic sodium salt	fluorochrome; histological dye; sodium channel blocker; teratogenic agent
testosterone enanthate	[no description available]	medium	1	0	heptanoate ester; sterol ester	androgen
aminophylline	[no description available]	high	6	0	mixture	bronchodilator agent; cardiotonic drug
azacitidine	[no description available]	medium	4	0	N-glycosyl-1,3,5-triazine; nucleoside analogue	antineoplastic agent
phenyramidol	[no description available]	medium	1	0	aminopyridine
carbutamide	[no description available]	medium	1	0	benzenes; sulfonamide
nandrolone decanoate	[no description available]	medium	1	0	steroid ester
bucladesine	[no description available]	medium	1	0	3',5'-cyclic purine nucleotide; butanamides; butyrate ester	agonist; cardiotonic drug; vasodilator agent
betamethasone	[no description available]	medium	11	1	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
betamethasone	[no description available]	medium	11	0	11beta-hydroxy steroid; 17alpha-hydroxy steroid; 20-oxo steroid; 21-hydroxy steroid; 3-oxo-Delta(1),Delta(4)-steroid; fluorinated steroid; glucocorticoid; primary alpha-hydroxy ketone; tertiary alpha-hydroxy ketone	anti-asthmatic agent; anti-inflammatory drug; immunosuppressive agent
perflubron	[no description available]	medium	1	0	haloalkane; organobromine compound; perfluorinated compound	blood substitute; radioopaque medium
cyproterone acetate	[no description available]	medium	1	0	20-oxo steroid; 3-oxo-Delta(4) steroid; acetate ester; chlorinated steroid; steroid ester	androgen antagonist; geroprotector; progestin
dextropropoxyphene	[no description available]	medium	1	0	1-benzyl-3-(dimethylamino)-2-methyl-1-phenylpropyl propanoate	mu-opioid receptor agonist; opioid analgesic
glycyrrhetinic acid	[no description available]	medium	4	0	cyclic terpene ketone; hydroxy monocarboxylic acid; pentacyclic triterpenoid	immunomodulator; plant metabolite
chenodeoxycholic acid	[no description available]	medium	1	0	bile acid; C24-steroid; dihydroxy-5beta-cholanic acid	human metabolite; mouse metabolite
dihydralazine	[no description available]	medium	1	0	phthalazines
phenylpropanolamine	[no description available]	medium	1	0	amphetamines; phenethylamine alkaloid	plant metabolite
dihydroergotamine	[no description available]	medium	1	0	ergot alkaloid; semisynthetic derivative	dopamine agonist; non-narcotic analgesic; serotonergic agonist; sympatholytic agent; vasoconstrictor agent
podophyllotoxin	[no description available]	medium	4	0	furonaphthodioxole; lignan; organic heterotetracyclic compound	antimitotic; antineoplastic agent; keratolytic drug; microtubule-destabilising agent; plant metabolite; tubulin modulator
hesperidin	[no description available]	medium	2	0	3'-hydroxyflavanones; 4'-methoxyflavanones; dihydroxyflavanone; disaccharide derivative; flavanone glycoside; monomethoxyflavanone; rutinoside	mutagen
chlormethiazole	[no description available]	medium	1	0	thiazoles
methamphetamine	[no description available]	medium	1	0	amphetamines; secondary amine	central nervous system stimulant; environmental contaminant; neurotoxin; psychotropic drug; xenobiotic
gentian violet	[no description available]	medium	1	0	organic chloride salt	anthelminthic drug; antibacterial agent; antifungal agent; antiseptic drug; histological dye
hematoporphyrin	[no description available]	medium	6	0
lactulose	[no description available]	medium	1	0	glycosylfructose	gastrointestinal drug; laxative
megestrol acetate	[no description available]	medium	2	0	20-oxo steroid; 3-oxo-Delta(4) steroid; acetate ester; steroid ester	antineoplastic agent; appetite enhancer; contraceptive drug; progestin; synthetic oral contraceptive
acetylcysteine	[no description available]	medium	4	0	acetylcysteine; L-cysteine derivative; N-acetyl-L-amino acid	antidote to paracetamol poisoning; antiinfective agent; antioxidant; antiviral drug; ferroptosis inhibitor; geroprotector; human metabolite; mucolytic; radical scavenger; vulnerary
erythromycin stearate	[no description available]	medium	1	0	aminoglycoside
erythromycin	[no description available]	medium	1	0	cyclic ketone; erythromycin
estradiol valerate	[no description available]	medium	2	0	steroid ester
vancomycin	[no description available]	medium	1	0	glycopeptide	antibacterial drug; antimicrobial agent; bacterial metabolite
d-alpha tocopherol	[no description available]	medium	11	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
d-alpha tocopherol	[no description available]	medium	11	1	alpha-tocopherol	algal metabolite; antiatherogenic agent; anticoagulant; antioxidant; antiviral agent; EC 2.7.11.13 (protein kinase C) inhibitor; immunomodulator; micronutrient; nutraceutical; plant metabolite
d-alpha tocopherol	[no description available]	medium	11	3	alpha-tocopherol	algal metabolite; antiatherogenic agent; anticoagulant; antioxidant; antiviral agent; EC 2.7.11.13 (protein kinase C) inhibitor; immunomodulator; micronutrient; nutraceutical; plant metabolite
dronabinol	[no description available]	medium	1	0	benzochromene; diterpenoid; phytocannabinoid; polyketide	cannabinoid receptor agonist; epitope; hallucinogen; metabolite; non-narcotic analgesic
amiloride	[no description available]	medium	1	0	aromatic amine; guanidines; organochlorine compound; pyrazines	diuretic; sodium channel blocker
pimozide	[no description available]	medium	2	0	benzimidazoles; heteroarylpiperidine; organofluorine compound	antidyskinesia agent; dopaminergic antagonist; first generation antipsychotic; H1-receptor antagonist; serotonergic antagonist
sulfadoxine	[no description available]	medium	1	0	pyrimidines; sulfonamide	antibacterial drug; antimalarial
acadesine	[no description available]	medium	1	0	1-ribosylimidazolecarboxamide; aminoimidazole; nucleoside analogue	antineoplastic agent; platelet aggregation inhibitor
stavudine	[no description available]	medium	2	0	dihydrofuran; nucleoside analogue; organic molecular entity	antimetabolite; antiviral agent; EC 2.7.7.49 (RNA-directed DNA polymerase) inhibitor
doxifluridine	[no description available]	medium	1	0	organofluorine compound; pyrimidine 5'-deoxyribonucleoside	antimetabolite; antineoplastic agent; prodrug
iproclozide	[no description available]	medium	1	0	aromatic ether
streptomycin	[no description available]	medium	2	0	antibiotic antifungal drug; antibiotic fungicide; streptomycins	antibacterial drug; antifungal agrochemical; antimicrobial agent; antimicrobial drug; bacterial metabolite; protein synthesis inhibitor
cladribine	[no description available]	medium	2	0	organochlorine compound; purine 2'-deoxyribonucleoside	antineoplastic agent; immunosuppressive agent
carbenicillin disodium	[no description available]	medium	1	0	organic sodium salt
dehydroemetine	[no description available]	medium	1	0	aromatic ether; isoquinolines; pyridoisoquinoline	antileishmanial agent; antimalarial; antiprotozoal drug
benorilate	[no description available]	medium	1	0	carbonyl compound
trimetazidine	[no description available]	medium	1	0	aromatic amine
floxacillin	[no description available]	medium	1	0	penicillin allergen; penicillin	antibacterial drug
vidarabine	[no description available]	medium	1	0	beta-D-arabinoside; purine nucleoside	antineoplastic agent; bacterial metabolite; nucleoside antibiotic
tiadenol	[no description available]	medium	1	0	aliphatic sulfide
zalcitabine	[no description available]	medium	1	0	pyrimidine 2',3'-dideoxyribonucleoside	antimetabolite; antiviral drug; HIV-1 reverse transcriptase inhibitor
stanozolol	[no description available]	medium	1	0	17beta-hydroxy steroid; anabolic androgenic steroid; organic heteropentacyclic compound; tertiary alcohol	anabolic agent; androgen
clodronic acid	[no description available]	medium	1	0	1,1-bis(phosphonic acid); one-carbon compound; organochlorine compound	antineoplastic agent; bone density conservation agent
xipamide	[no description available]	medium	1	0	benzamides
selegiline	[no description available]	medium	1	0	selegiline; terminal acetylenic compound	geroprotector
levamisole	[no description available]	medium	2	0	6-phenyl-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole	antinematodal drug; antirheumatic drug; EC 3.1.3.1 (alkaline phosphatase) inhibitor; immunological adjuvant; immunomodulator
thiamphenicol	[no description available]	medium	1	0	monocarboxylic acid amide; sulfone	antimicrobial agent; immunosuppressive agent
pizotyline	[no description available]	medium	1	0	benzocycloheptathiophene	histamine antagonist; muscarinic antagonist; serotonergic antagonist
isosorbide-5-mononitrate	[no description available]	medium	1	0	glucitol derivative; nitrate ester	nitric oxide donor; vasodilator agent
danazol	[no description available]	medium	1	0	17beta-hydroxy steroid; terminal acetylenic compound	anti-estrogen; estrogen antagonist; geroprotector
carbimazole	[no description available]	medium	1	0	1,3-dihydroimidazole-2-thiones; carbamate ester	antithyroid drug; prodrug
bromocriptine	[no description available]	medium	1	0	indole alkaloid	antidyskinesia agent; antiparkinson drug; dopamine agonist; hormone antagonist
triamcinolone	[no description available]	medium	112	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
triamcinolone	[no description available]	medium	112	13	11beta-hydroxy steroid; 16alpha-hydroxy steroid; 17alpha-hydroxy steroid; 20-oxo steroid; 21-hydroxy steroid; 3-oxo-Delta(4) steroid; C21-steroid hormone; fluorinated steroid; glucocorticoid; primary alpha-hydroxy ketone; tertiary alpha-hydroxy ketone	anti-allergic agent; anti-inflammatory drug
oxyphenisatin	[no description available]	medium	1	0	indoles
tetrachloroethylene	[no description available]	medium	1	0	chlorocarbon; chloroethenes	nephrotoxic agent
ursodeoxycholic acid	[no description available]	medium	1	0	bile acid; C24-steroid; dihydroxy-5beta-cholanic acid	human metabolite; mouse metabolite
butachlor	[no description available]	medium	1	0	aromatic amide; organochlorine compound; tertiary carboxamide	environmental contaminant; herbicide; xenobiotic
rose bengal b disodium salt	[no description available]	medium	1	0
glutamic acid	[no description available]	medium	1	0	glutamic acid; glutamine family amino acid; L-alpha-amino acid; proteinogenic amino acid	Escherichia coli metabolite; ferroptosis inducer; micronutrient; mouse metabolite; neurotransmitter; nutraceutical
cefazolin	[no description available]	medium	1	0	beta-lactam antibiotic allergen; cephalosporin; tetrazoles; thiadiazoles	antibacterial drug
amoxicillin	[no description available]	medium	1	0	penicillin allergen; penicillin	antibacterial drug
timolol	[no description available]	medium	1	0	timolol	anti-arrhythmia drug; antiglaucoma drug; antihypertensive agent; beta-adrenergic antagonist
nicergoline	[no description available]	medium	1	0	organic heterotetracyclic compound; organonitrogen heterocyclic compound
oxcarbazepine	[no description available]	medium	2	0	cyclic ketone; dibenzoazepine	anticonvulsant; drug allergen
amineptin	[no description available]	medium	1	0	amino acid; carbocyclic fatty acid; carbotricyclic compound; secondary amino compound	antidepressant; dopamine uptake inhibitor
zidovudine	[no description available]	medium	2	0	azide; pyrimidine 2',3'-dideoxyribonucleoside	antimetabolite; antiviral drug; HIV-1 reverse transcriptase inhibitor
pirprofen	[no description available]	medium	1	0	pyrroline
tobramycin	[no description available]	medium	1	0	amino cyclitol glycoside	antibacterial agent; antimicrobial agent; toxin
etoposide	[no description available]	medium	3	0	beta-D-glucoside; furonaphthodioxole; organic heterotetracyclic compound	antineoplastic agent; DNA synthesis inhibitor
dobutamine	[no description available]	medium	1	0	catecholamine; secondary amine	beta-adrenergic agonist; cardiotonic drug; sympathomimetic agent
ribavirin	[no description available]	medium	1	0	1-ribosyltriazole; aromatic amide; monocarboxylic acid amide; primary carboxamide	anticoronaviral agent; antiinfective agent; antimetabolite; antiviral agent; EC 2.7.7.49 (RNA-directed DNA polymerase) inhibitor
amikacin	[no description available]	medium	1	0	alpha-D-glucoside; amino cyclitol glycoside; aminoglycoside; carboxamide	antibacterial drug; antimicrobial agent; nephrotoxin
ticrynafen	[no description available]	medium	1	0	aromatic ether; aromatic ketone; dichlorobenzene; monocarboxylic acid; thiophenes	antihypertensive agent; hepatotoxic agent; loop diuretic
methyldopa	[no description available]	medium	1	0	L-tyrosine derivative; non-proteinogenic L-alpha-amino acid	alpha-adrenergic agonist; antihypertensive agent; hapten; peripheral nervous system drug; sympatholytic agent
bezafibrate	[no description available]	medium	2	0	aromatic ether; monocarboxylic acid amide; monocarboxylic acid; monochlorobenzenes	antilipemic drug; environmental contaminant; geroprotector; xenobiotic
sq-11725	[no description available]	medium	2	0
diltiazem	[no description available]	medium	1	0	5-[2-(dimethylamino)ethyl]-2-(4-methoxyphenyl)-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepin-3-yl acetate	antihypertensive agent; calcium channel blocker; vasodilator agent
benoxaprofen	[no description available]	medium	1	0	1,3-benzoxazoles; monocarboxylic acid; monochlorobenzenes	antipsoriatic; antipyretic; EC 1.13.11.34 (arachidonate 5-lipoxygenase) inhibitor; hepatotoxic agent; nephrotoxin; non-narcotic analgesic; non-steroidal anti-inflammatory drug; protein kinase C agonist
permethrin	[no description available]	medium	1	0	cyclopropanecarboxylate ester; cyclopropanes	agrochemical; ectoparasiticide; pyrethroid ester acaricide; pyrethroid ester insecticide; scabicide
pirfenidone	[no description available]	medium	1	0	pyridone	antipyretic; non-narcotic analgesic; non-steroidal anti-inflammatory drug
desogestrel	[no description available]	medium	1	0	17beta-hydroxy steroid; terminal acetylenic compound	contraceptive drug; progestin; synthetic oral contraceptive
muzolimine	[no description available]	medium	1	0	dichlorobenzene
epirubicin	[no description available]	medium	1	0	aminoglycoside; anthracycline antibiotic; anthracycline; deoxy hexoside; monosaccharide derivative; p-quinones; primary alpha-hydroxy ketone; tertiary alpha-hydroxy ketone	antimicrobial agent; antineoplastic agent; EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor
desflurane	[no description available]	medium	1	0	organofluorine compound	inhalation anaesthetic
piperacillin	[no description available]	medium	1	0	penicillin allergen; penicillin	antibacterial drug
paroxetine	[no description available]	medium	1	0	aromatic ether; benzodioxoles; organofluorine compound; piperidines	antidepressant; anxiolytic drug; hepatotoxic agent; P450 inhibitor; serotonin uptake inhibitor
captopril	[no description available]	medium	4	0	alkanethiol; L-proline derivative; N-acylpyrrolidine; pyrrolidinemonocarboxylic acid	antihypertensive agent; EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor
cefoperazone	[no description available]	medium	1	0	cephalosporin	antibacterial drug
foscarnet sodium	[no description available]	medium	1	0	one-carbon compound; organic sodium salt	antiviral drug
moxalactam	[no description available]	medium	1	0	cephalosporin; oxacephem	antibacterial drug
nicorandil	[no description available]	medium	1	0	nitrate ester; pyridinecarboxamide	potassium channel opener; vasodilator agent
cefadroxil anhydrous	[no description available]	medium	1	0	cephalosporin	antibacterial drug
encainide	[no description available]	medium	1	0	benzamides; piperidines	anti-arrhythmia drug; sodium channel blocker
cefaclor anhydrous	[no description available]	medium	1	0	cephalosporin	antibacterial drug; drug allergen
miglustat	[no description available]	medium	1	0	piperidines; tertiary amino compound	anti-HIV agent; EC 2.4.1.80 (ceramide glucosyltransferase) inhibitor
cefotetan	[no description available]	medium	1	0
lovastatin	[no description available]	medium	2	0	delta-lactone; fatty acid ester; hexahydronaphthalenes; polyketide; statin (naturally occurring)	anticholesteremic drug; antineoplastic agent; Aspergillus metabolite; prodrug
enoximone	[no description available]	medium	1	0	aromatic ketone
piritrexim	[no description available]	medium	1	0
simvastatin	[no description available]	medium	4	0	delta-lactone; fatty acid ester; hexahydronaphthalenes; statin (semi-synthetic)	EC 1.1.1.34/EC 1.1.1.88 (hydroxymethylglutaryl-CoA reductase) inhibitor; EC 3.4.24.83 (anthrax lethal factor endopeptidase) inhibitor; ferroptosis inducer; geroprotector; prodrug
pravastatin	[no description available]	medium	1	0	3-hydroxy carboxylic acid; carbobicyclic compound; carboxylic ester; hydroxy monocarboxylic acid; secondary alcohol; statin (semi-synthetic)	anticholesteremic drug; environmental contaminant; metabolite; xenobiotic
atomoxetine hydrochloride	[no description available]	medium	1	0	hydrochloride	adrenergic uptake inhibitor; antidepressant
quinapril	[no description available]	medium	1	0	dicarboxylic acid monoester; ethyl ester; isoquinolines; tertiary carboxamide	antihypertensive agent; EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor; prodrug
gepirone	[no description available]	medium	1	0	N-arylpiperazine
mifepristone	[no description available]	medium	3	0	3-oxo-Delta(4) steroid; acetylenic compound; tertiary amino compound	abortifacient; contraceptive drug; hormone antagonist; synthetic oral contraceptive
sparfloxacin	[no description available]	medium	1	0	fluoroquinolone antibiotic; N-arylpiperazine; quinolinemonocarboxylic acid; quinolone antibiotic; quinolone
zileuton	[no description available]	medium	1	0	1-benzothiophenes; ureas	anti-asthmatic drug; EC 1.13.11.34 (arachidonate 5-lipoxygenase) inhibitor; ferroptosis inhibitor; leukotriene antagonist; non-steroidal anti-inflammatory drug
clopidogrel	[no description available]	medium	1	0	methyl ester; monochlorobenzenes; thienopyridine	anticoagulant; P2Y12 receptor antagonist; platelet aggregation inhibitor
cidofovir anhydrous	[no description available]	medium	1	0	phosphonic acids; pyrimidone	anti-HIV agent; antineoplastic agent; antiviral drug; photosensitizing agent
bromfenac	[no description available]	medium	1	0	aromatic amino acid; benzophenones; organobromine compound; substituted aniline	non-narcotic analgesic; non-steroidal anti-inflammatory drug
atorvastatin	[no description available]	medium	1	0	aromatic amide; dihydroxy monocarboxylic acid; monofluorobenzenes; pyrroles; statin (synthetic)	environmental contaminant; xenobiotic
lamivudine	[no description available]	medium	1	0	monothioacetal; nucleoside analogue; oxacycle; primary alcohol	allergen; anti-HBV agent; antiviral drug; EC 2.7.7.49 (RNA-directed DNA polymerase) inhibitor; HIV-1 reverse transcriptase inhibitor; prodrug
duloxetine	[no description available]	medium	1	0	duloxetine
irinotecan	[no description available]	medium	1	0	carbamate ester; delta-lactone; N-acylpiperidine; pyranoindolizinoquinoline; ring assembly; tertiary alcohol; tertiary amino compound	antineoplastic agent; apoptosis inducer; EC 5.99.1.2 (DNA topoisomerase) inhibitor; prodrug
valsartan	[no description available]	medium	2	0	biphenylyltetrazole; monocarboxylic acid amide; monocarboxylic acid	angiotensin receptor antagonist; antihypertensive agent; environmental contaminant; xenobiotic
adefovir dipivoxil	[no description available]	medium	1	0	6-aminopurines; carbonate ester; ether; organic phosphonate	antiviral drug; DNA synthesis inhibitor; HIV-1 reverse transcriptase inhibitor; nephrotoxic agent; prodrug
capecitabine	[no description available]	medium	1	0	carbamate ester; cytidines; organofluorine compound	antimetabolite; antineoplastic agent; prodrug
adenosine	[no description available]	medium	1	0	adenosines; purines D-ribonucleoside	analgesic; anti-arrhythmia drug; fundamental metabolite; human metabolite; vasodilator agent
halofuginone	[no description available]	medium	1	0	quinazolines
ortho-cept	[no description available]	medium	1	0
cefprozil	[no description available]	medium	1	0	cephalosporin; semisynthetic derivative	antibacterial drug
4-[1-[4-[2-(dimethylamino)ethoxy]phenyl]-2-phenylbut-1-enyl]phenol	[no description available]	medium	1	0	stilbenoid
efavirenz	[no description available]	medium	1	0	acetylenic compound; benzoxazine; cyclopropanes; organochlorine compound; organofluorine compound	antiviral drug; HIV-1 reverse transcriptase inhibitor
nelfinavir	[no description available]	medium	1	0	aryl sulfide; benzamides; organic heterobicyclic compound; phenols; secondary alcohol; tertiary amino compound	antineoplastic agent; HIV protease inhibitor
doxapram hydrochloride	[no description available]	medium	1	0	hydrochloride	central nervous system stimulant
1,5-anhydroglucitol	[no description available]	medium	1	0	anhydro sugar	human metabolite
betulinic acid	[no description available]	medium	2	0	hydroxy monocarboxylic acid; pentacyclic triterpenoid	anti-HIV agent; anti-inflammatory agent; antimalarial; antineoplastic agent; EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor; plant metabolite
amprenavir	[no description available]	medium	1	0	carbamate ester; sulfonamide; tetrahydrofuryl ester	antiviral drug; HIV protease inhibitor
glutathione disulfide	[no description available]	medium	1	0	glutathione derivative; organic disulfide	Escherichia coli metabolite; mouse metabolite
bendamustine	[no description available]	medium	1	0	benzimidazoles
erdosteine	[no description available]	medium	1	0	N-acyl-amino acid
mizolastine	[no description available]	medium	1	0	benzimidazoles
intoplicine	[no description available]	medium	1	0	pyridoindole
telmisartan	[no description available]	medium	2	0	benzimidazoles; biphenyls; carboxybiphenyl	angiotensin receptor antagonist; antihypertensive agent; EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor; environmental contaminant; xenobiotic
dexfenfluramine	[no description available]	medium	1	0	fenfluramine	appetite depressant; serotonergic agonist; serotonin uptake inhibitor
2-methoxyestradiol	[no description available]	medium	3	0	17beta-hydroxy steroid; 3-hydroxy steroid	angiogenesis modulating agent; antimitotic; antineoplastic agent; human metabolite; metabolite; mouse metabolite
medetomidine	[no description available]	medium	1	0	imidazoles
sertraline	[no description available]	medium	1	0	dichlorobenzene; secondary amino compound; tetralins	antidepressant; serotonin uptake inhibitor
picosulfate sodium	[no description available]	medium	1	0	aryl sulfate; pyridines
dienogest	[no description available]	medium	1	0	17beta-hydroxy steroid; 3-oxo-Delta(4) steroid; aliphatic nitrile; steroid hormone	progesterone receptor agonist; progestin; synthetic oral contraceptive
morphazinamide	[no description available]	medium	1	0	morpholines; pyrazines; secondary carboxamide
dexrazoxane	[no description available]	medium	1	0	razoxane	antineoplastic agent; cardiovascular drug; chelator; immunosuppressive agent
voriconazole	[no description available]	medium	2	0	conazole antifungal drug; difluorobenzene; pyrimidines; tertiary alcohol; triazole antifungal drug	P450 inhibitor
cyclobutyrol	[no description available]	medium	1	0	hydroxy monocarboxylic acid	bile therapy drug
terlipressin	[no description available]	medium	1	0	polypeptide
isoflavone	[no description available]	medium	1	0	isoflavones
clevudine	[no description available]	medium	1	0
tetrandrine	[no description available]	medium	3	0	bisbenzylisoquinoline alkaloid; isoquinolines
rosiglitazone	[no description available]	medium	1	0	aminopyridine; thiazolidinediones	EC 6.2.1.3 (long-chain-fatty-acid--CoA ligase) inhibitor; ferroptosis inhibitor; insulin-sensitizing drug
clarithromycin	[no description available]	medium	3	0	macrolide antibiotic	antibacterial drug; environmental contaminant; protein synthesis inhibitor; xenobiotic
nicotine	[no description available]	medium	2	0	3-(1-methylpyrrolidin-2-yl)pyridine	anxiolytic drug; biomarker; immunomodulator; mitogen; neurotoxin; nicotinic acetylcholine receptor agonist; peripheral nervous system drug; phytogenic insecticide; plant metabolite; psychotropic drug; teratogenic agent; xenobiotic
lopinavir	[no description available]	medium	1	0	amphetamines; dicarboxylic acid diamide	anticoronaviral agent; antiviral drug; HIV protease inhibitor
sr141716	[no description available]	medium	1	0	amidopiperidine; carbohydrazide; dichlorobenzene; monochlorobenzenes; pyrazoles	anti-obesity agent; appetite depressant; CB1 receptor antagonist
bosentan anhydrous	[no description available]	medium	1	0	primary alcohol; pyrimidines; sulfonamide	antihypertensive agent; endothelin receptor antagonist
selenomethionine	[no description available]	medium	1	0	amino acid zwitterion; selenomethionine	plant metabolite
perindopril	[no description available]	medium	1	0	alpha-amino acid ester; dicarboxylic acid monoester; ethyl ester; organic heterobicyclic compound	antihypertensive agent; EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor
fingolimod	[no description available]	medium	1	0	aminodiol; primary amino compound	antineoplastic agent; CB1 receptor antagonist; immunosuppressive agent; prodrug; sphingosine-1-phosphate receptor agonist
ecteinascidin 743	[no description available]	medium	1	0	acetate ester; azaspiro compound; bridged compound; hemiaminal; isoquinoline alkaloid; lactone; organic heteropolycyclic compound; organic sulfide; oxaspiro compound; polyphenol; tertiary amino compound	alkylating agent; angiogenesis modulating agent; anti-inflammatory agent; antineoplastic agent; marine metabolite
nitisinone	[no description available]	medium	1	0	(trifluoromethyl)benzenes; C-nitro compound; cyclohexanones; mesotrione	EC 1.13.11.27 (4-hydroxyphenylpyruvate dioxygenase) inhibitor
marimastat	[no description available]	medium	1	0	hydroxamic acid; secondary carboxamide	antineoplastic agent; matrix metalloproteinase inhibitor
clofarabine	[no description available]	medium	1	0	adenosines; organofluorine compound	antimetabolite; antineoplastic agent
mitiglinide	[no description available]	medium	1	0	benzenes; monocarboxylic acid
imatinib mesylate	[no description available]	medium	2	0	methanesulfonate salt	anticoronaviral agent; antineoplastic agent; apoptosis inducer; tyrosine kinase inhibitor
gefitinib	[no description available]	medium	1	0	aromatic ether; monochlorobenzenes; monofluorobenzenes; morpholines; quinazolines; secondary amino compound; tertiary amino compound	antineoplastic agent; epidermal growth factor receptor antagonist
n(6)-(3-iodobenzyl)-5'-n-methylcarboxamidoadenosine	[no description available]	medium	1	0	adenosines; monocarboxylic acid amide; organoiodine compound	adenosine A3 receptor agonist
methotrexate	[no description available]	medium	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
antiprimod	[no description available]	medium	1	0
sulbactam	[no description available]	medium	1	0	penicillanic acids
olmesartan medoxomil	[no description available]	medium	1	0	biphenyls
ilomastat	[no description available]	medium	1	0	hydroxamic acid; L-tryptophan derivative; N-acyl-amino acid	anti-inflammatory agent; antibacterial agent; antineoplastic agent; EC 3.4.24.24 (gelatinase A) inhibitor; neuroprotective agent
docetaxel	[no description available]	medium	2	0	hydrate; secondary alpha-hydroxy ketone	antineoplastic agent
atazanavir	[no description available]	medium	1	0	carbohydrazide	antiviral drug; HIV protease inhibitor
levofloxacin	[no description available]	medium	1	0	9-fluoro-3-methyl-10-(4-methylpiperazin-1-yl)-7-oxo-2,3-dihydro-7H-[1,4]oxazino[2,3,4-ij]quinoline-6-carboxylic acid; fluoroquinolone antibiotic; quinolone antibiotic	antibacterial drug; DNA synthesis inhibitor; EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor; topoisomerase IV inhibitor
ezetimibe	[no description available]	medium	1	0	azetidines; beta-lactam; organofluorine compound	anticholesteremic drug; antilipemic drug; antimetabolite
cariporide	[no description available]	medium	1	0
tezosentan	[no description available]	medium	1	0
moxifloxacin	[no description available]	medium	1	0	aromatic ether; cyclopropanes; fluoroquinolone antibiotic; pyrrolidinopiperidine; quinolinemonocarboxylic acid; quinolone antibiotic; quinolone	antibacterial drug
jtt 501	[no description available]	medium	1	0
naproxen	[no description available]	medium	1	0	methoxynaphthalene; monocarboxylic acid	antipyretic; cyclooxygenase 1 inhibitor; cyclooxygenase 2 inhibitor; drug allergen; environmental contaminant; gout suppressant; non-narcotic analgesic; non-steroidal anti-inflammatory drug; xenobiotic
cyc 202	[no description available]	medium	2	0	2,6-diaminopurines	antiviral drug; EC 2.7.11.22 (cyclin-dependent kinase) inhibitor
paromomycin	[no description available]	medium	1	0	amino cyclitol glycoside; aminoglycoside antibiotic	anthelminthic drug; antibacterial drug; antiparasitic agent; antiprotozoal drug
avasimibe	[no description available]	medium	1	0	monoterpenoid
biotin	[no description available]	medium	1	0	biotins; vitamin B7	coenzyme; cofactor; Escherichia coli metabolite; fundamental metabolite; human metabolite; mouse metabolite; nutraceutical; prosthetic group; Saccharomyces cerevisiae metabolite
atropine	[no description available]	medium	5	0
troleandomycin	[no description available]	medium	2	0	acetate ester; epoxide; macrolide antibiotic; monosaccharide derivative; polyketide; semisynthetic derivative	EC 1.14.13.97 (taurochenodeoxycholate 6alpha-hydroxylase) inhibitor; xenobiotic
deferasirox	[no description available]	medium	1	0	benzoic acids; monocarboxylic acid; phenols; triazoles	iron chelator
tbc-11251	[no description available]	medium	1	0	benzodioxoles
sitosterol, (3beta)-isomer	[no description available]	medium	3	0	3beta-hydroxy-Delta(5)-steroid; 3beta-sterol; C29-steroid; phytosterols; stigmastane sterol	anticholesteremic drug; antioxidant; mouse metabolite; plant metabolite; sterol methyltransferase inhibitor
benzarone	[no description available]	medium	1	0	1-benzofurans
estramustine	[no description available]	medium	1	0	17beta-hydroxy steroid; carbamate ester; organochlorine compound	alkylating agent; antineoplastic agent; radiation protective agent
noscapine	[no description available]	medium	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
o-(chloroacetylcarbamoyl)fumagillol	[no description available]	medium	1	0	carbamate ester; organochlorine compound; semisynthetic derivative; sesquiterpenoid; spiro-epoxide	angiogenesis inhibitor; antineoplastic agent; EC 1.5.1.3 (dihydrofolate reductase) inhibitor; methionine aminopeptidase 2 inhibitor; retinoic acid receptor alpha antagonist
bortezomib	[no description available]	medium	1	0	amino acid amide; L-phenylalanine derivative; pyrazines	antineoplastic agent; antiprotozoal drug; protease inhibitor; proteasome inhibitor
ritonavir	[no description available]	medium	1	0	1,3-thiazoles; carbamate ester; carboxamide; L-valine derivative; ureas	antiviral drug; environmental contaminant; HIV protease inhibitor; xenobiotic
nexavar	[no description available]	medium	1	0	organosulfonate salt
glucosamine	[no description available]	medium	1	0	D-glucosamine	Escherichia coli metabolite; geroprotector; mouse metabolite
quinidine	[no description available]	medium	4	0	cinchona alkaloid	alpha-adrenergic antagonist; anti-arrhythmia drug; antimalarial; drug allergen; EC 1.14.13.181 (13-deoxydaunorubicin hydroxylase) inhibitor; EC 3.6.3.44 (xenobiotic-transporting ATPase) inhibitor; muscarinic antagonist; P450 inhibitor; potassium channel blocker; sodium channel blocker
meropenem	[no description available]	medium	1	0	alpha,beta-unsaturated monocarboxylic acid; carbapenemcarboxylic acid; organic sulfide; pyrrolidinecarboxamide	antibacterial agent; antibacterial drug; drug allergen
griseofulvin	[no description available]	medium	3	0	1-benzofurans; antibiotic antifungal drug; benzofuran antifungal drug; organochlorine compound; oxaspiro compound	antibacterial agent; Penicillium metabolite
digitoxin	[no description available]	medium	4	0	cardenolide glycoside	EC 3.6.3.9 (Na(+)/K(+)-transporting ATPase) inhibitor
saquinavir	[no description available]	medium	1	0	L-asparagine derivative; quinolines	antiviral drug; HIV protease inhibitor
netilmicin	[no description available]	medium	1	0
trimethaphan camsylate	[no description available]	medium	1	0
erythromycin estolate	[no description available]	medium	1	0	aminoglycoside sulfate salt; erythromycin derivative	enzyme inhibitor
cyclopamine	[no description available]	medium	2	0	piperidines	glioma-associated oncogene inhibitor
devazepide	[no description available]	medium	1	0	1,4-benzodiazepinone; indolecarboxamide	antineoplastic agent; apoptosis inducer; cholecystokinin antagonist; gastrointestinal drug
tolterodine	[no description available]	medium	1	0	tertiary amine	antispasmodic drug; muscarinic antagonist; muscle relaxant
doxorubicin hydrochloride	[no description available]	medium	2	0	anthracycline
erythromycin ethylsuccinate	[no description available]	medium	1	0	cyclic ketone; erythromycin derivative; ethyl ester; succinate ester
ao 128	[no description available]	medium	1	0	organic molecular entity
acarbose	[no description available]	medium	1	0	amino cyclitol; glycoside
tretinoin	[no description available]	medium	18	0	retinoic acid; vitamin A	anti-inflammatory agent; antineoplastic agent; antioxidant; AP-1 antagonist; human metabolite; keratolytic drug; retinoic acid receptor agonist; retinoid X receptor agonist; signalling molecule
retinol	[no description available]	medium	3	0	retinol; vitamin A	human metabolite; mouse metabolite; plant metabolite
alpha-D-fructofuranose 1,6-bisphosphate	[no description available]	medium	1	0	D-fructofuranose 1,6-bisphosphate
docosahexaenoate	[no description available]	medium	1	0	docosahexaenoic acid; omega-3 fatty acid	algal metabolite; antineoplastic agent; Daphnia tenebrosa metabolite; human metabolite; mouse metabolite; nutraceutical
oleic acid	[no description available]	medium	2	0	octadec-9-enoic acid	antioxidant; Daphnia galeata metabolite; EC 3.1.1.1 (carboxylesterase) inhibitor; Escherichia coli metabolite; mouse metabolite; plant metabolite; solvent
tacrolimus	[no description available]	medium	6	0	macrolide lactam	bacterial metabolite; immunosuppressive agent
cerivastatin	[no description available]	medium	1	0	dihydroxy monocarboxylic acid; pyridines; statin (synthetic)
rosuvastatin	[no description available]	medium	1	0	dihydroxy monocarboxylic acid; monofluorobenzenes; pyrimidines; statin (synthetic); sulfonamide	anti-inflammatory agent; antilipemic drug; cardioprotective agent; CETP inhibitor; environmental contaminant; xenobiotic
cocaine	[no description available]	medium	3	0	benzoate ester; methyl ester; tertiary amino compound; tropane alkaloid	adrenergic uptake inhibitor; central nervous system stimulant; dopamine uptake inhibitor; environmental contaminant; local anaesthetic; mouse metabolite; plant metabolite; serotonin uptake inhibitor; sodium channel blocker; sympathomimetic agent; vasoconstrictor agent; xenobiotic
eicosapentaenoic acid	[no description available]	medium	3	0	icosapentaenoic acid; omega-3 fatty acid	anticholesteremic drug; antidepressant; antineoplastic agent; Daphnia galeata metabolite; fungal metabolite; micronutrient; mouse metabolite; nutraceutical
mycophenolic acid	[no description available]	medium	2	0	2-benzofurans; gamma-lactone; monocarboxylic acid; phenols	anticoronaviral agent; antimicrobial agent; antineoplastic agent; EC 1.1.1.205 (IMP dehydrogenase) inhibitor; environmental contaminant; immunosuppressive agent; mycotoxin; Penicillium metabolite; xenobiotic
clindamycin	[no description available]	medium	1	0
fosfomycin	[no description available]	medium	1	0	epoxide; phosphonic acids	antimicrobial agent; EC 2.5.1.7 (UDP-N-acetylglucosamine 1-carboxyvinyltransferase) inhibitor
zithromax	[no description available]	medium	1	0	macrolide antibiotic	antibacterial drug; environmental contaminant; xenobiotic
drf 2725	[no description available]	medium	1	0
diethylstilbestrol	[no description available]	medium	2	0	olefinic compound; polyphenol	antifungal agent; antineoplastic agent; autophagy inducer; calcium channel blocker; carcinogenic agent; EC 1.1.1.146 (11beta-hydroxysteroid dehydrogenase) inhibitor; EC 3.6.3.10 (H(+)/K(+)-exchanging ATPase) inhibitor; endocrine disruptor; xenoestrogen
alitretinoin	[no description available]	medium	2	0	retinoic acid	antineoplastic agent; keratolytic drug; metabolite; retinoid X receptor agonist
decitabine	[no description available]	medium	3	0	2'-deoxyribonucleoside
teniposide	[no description available]	medium	1	0	aromatic ether; beta-D-glucoside; cyclic acetal; furonaphthodioxole; gamma-lactone; monosaccharide derivative; phenols; thiophenes	antineoplastic agent; EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor
dactinomycin	[no description available]	medium	3	0	actinomycin	mutagen
tiazofurin	[no description available]	medium	1	0	1,3-thiazoles; C-glycosyl compound; monocarboxylic acid amide	antineoplastic agent; EC 1.1.1.205 (IMP dehydrogenase) inhibitor; prodrug
melphalan	[no description available]	medium	1	0	L-phenylalanine derivative; nitrogen mustard; non-proteinogenic L-alpha-amino acid; organochlorine compound	alkylating agent; antineoplastic agent; carcinogenic agent; drug allergen; immunosuppressive agent
tenofovir	[no description available]	medium	1	0	nucleoside analogue; phosphonic acids	antiviral drug; drug metabolite; HIV-1 reverse transcriptase inhibitor
rubitecan	[no description available]	medium	1	0	C-nitro compound; delta-lactone; pyranoindolizinoquinoline; semisynthetic derivative; tertiary alcohol	antineoplastic agent; EC 5.99.1.2 (DNA topoisomerase) inhibitor; prodrug
micafungin	[no description available]	medium	1	0	antibiotic antifungal drug; echinocandin	antiinfective agent
riboflavin	[no description available]	medium	5	0	flavin; vitamin B2	anti-inflammatory agent; antioxidant; cofactor; Escherichia coli metabolite; food colouring; fundamental metabolite; human urinary metabolite; mouse metabolite; photosensitizing agent; plant metabolite
sodium bicarbonate	[no description available]	medium	1	0	one-carbon compound; organic sodium salt	antacid; food anticaking agent
sodium acetate, anhydrous	[no description available]	medium	1	0	organic sodium salt	NMR chemical shift reference compound
sodium benzoate	[no description available]	medium	1	0	organic sodium salt	algal metabolite; antimicrobial food preservative; drug allergen; EC 1.13.11.33 (arachidonate 15-lipoxygenase) inhibitor; EC 3.1.1.3 (triacylglycerol lipase) inhibitor; human xenobiotic metabolite; plant metabolite
dipyrone	[no description available]	medium	2	0	organic sodium salt	anti-inflammatory agent; antipyretic; antirheumatic drug; cyclooxygenase 3 inhibitor; non-narcotic analgesic; peripheral nervous system drug; prodrug
ditiocarb sodium	[no description available]	medium	1	0	organic molecular entity
carbenoxolone	[no description available]	medium	1	0
discodermolide	[no description available]	medium	1	0	diterpenoid
cannabidiol	[no description available]	medium	1	0	olefinic compound; phytocannabinoid; resorcinols	antimicrobial agent; plant metabolite
propylthiouracil	[no description available]	medium	2	0	pyrimidinethione	antidote to paracetamol poisoning; antimetabolite; antioxidant; antithyroid drug; carcinogenic agent; EC 1.14.13.39 (nitric oxide synthase) inhibitor; hormone antagonist
prothionamide	[no description available]	medium	2	0	pyridines
etomidate	[no description available]	medium	1	0	ethyl ester; imidazoles	intravenous anaesthetic; sedative
mercaptopurine	[no description available]	medium	1	0	aryl thiol; purines; thiocarbonyl compound	anticoronaviral agent; antimetabolite; antineoplastic agent
methimazole	[no description available]	medium	1	0	1,3-dihydroimidazole-2-thiones	antithyroid drug
sulindac	[no description available]	medium	1	0	monocarboxylic acid; organofluorine compound; sulfoxide	analgesic; antineoplastic agent; antipyretic; apoptosis inducer; EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor; non-narcotic analgesic; non-steroidal anti-inflammatory drug; prodrug; tocolytic agent
capsaicin	[no description available]	medium	2	0	capsaicinoid	non-narcotic analgesic; TRPV1 agonist; voltage-gated sodium channel blocker
terbinafine	[no description available]	medium	1	0	acetylenic compound; allylamine antifungal drug; enyne; naphthalenes; tertiary amine	EC 1.14.13.132 (squalene monooxygenase) inhibitor; P450 inhibitor; sterol biosynthesis inhibitor
thioguanine anhydrous	[no description available]	medium	1	0	2-aminopurines	anticoronaviral agent; antimetabolite; antineoplastic agent
tacrine hydrochloride	[no description available]	medium	2	0
sodium propionate	[no description available]	medium	1	0	organic sodium salt	antifungal drug; food preservative
digoxin	[no description available]	medium	3	0	cardenolide glycoside; steroid saponin	anti-arrhythmia drug; cardiotonic drug; EC 3.6.3.9 (Na(+)/K(+)-transporting ATPase) inhibitor; epitope
streptozocin	[no description available]	medium	1	0
tamoxifen	[no description available]	medium	7	0	stilbenoid; tertiary amino compound	angiogenesis inhibitor; antineoplastic agent; bone density conservation agent; EC 1.2.3.1 (aldehyde oxidase) inhibitor; EC 2.7.11.13 (protein kinase C) inhibitor; estrogen antagonist; estrogen receptor antagonist; estrogen receptor modulator
ethionamide	[no description available]	medium	2	0	pyridines; thiocarboxamide	antilipemic drug; antitubercular agent; fatty acid synthesis inhibitor; leprostatic drug; prodrug
fusidic acid	[no description available]	medium	1	0	11alpha-hydroxy steroid; 3alpha-hydroxy steroid; alpha,beta-unsaturated monocarboxylic acid; steroid acid; steroid antibiotic; sterol ester	EC 2.7.1.33 (pantothenate kinase) inhibitor; Escherichia coli metabolite; protein synthesis inhibitor
estrone sulfate	[no description available]	medium	1	0	17-oxo steroid; steroid sulfate	human metabolite; mouse metabolite
hmr 3647	[no description available]	medium	1	0
toremifene	[no description available]	medium	1	0	aromatic ether; organochlorine compound; tertiary amine	antineoplastic agent; bone density conservation agent; estrogen antagonist; estrogen receptor modulator
telaprevir	[no description available]	medium	1	0	cyclopentapyrrole; cyclopropanes; oligopeptide; pyrazines	antiviral drug; hepatitis C protease inhibitor; peptidomimetic
droloxifene	[no description available]	medium	1	0	stilbenoid
or 1259	[no description available]	medium	1	0	hydrazone; nitrile; pyridazinone	anti-arrhythmia drug; cardiotonic drug; EC 3.1.4.17 (3',5'-cyclic-nucleotide phosphodiesterase) inhibitor; vasodilator agent
gestodene	[no description available]	medium	1	0	steroid	estrogen
orlistat	[no description available]	medium	2	0	beta-lactone; carboxylic ester; formamides; L-leucine derivative	anti-obesity agent; bacterial metabolite; EC 2.3.1.85 (fatty acid synthase) inhibitor; EC 3.1.1.3 (triacylglycerol lipase) inhibitor
idoxifene	[no description available]	medium	1	0	stilbenoid
zd 6474	[no description available]	medium	1	0	aromatic ether; organobromine compound; organofluorine compound; piperidines; quinazolines; secondary amine	antineoplastic agent; tyrosine kinase inhibitor
silybin	[no description available]	medium	2	0
chloramine-t	[no description available]	medium	1	0	organic sodium salt	allergen; antifouling biocide; disinfectant
flosequinan	[no description available]	medium	1	0	quinolines
tolcapone	[no description available]	medium	1	0	2-nitrophenols; benzophenones; catechols	antiparkinson drug; EC 2.1.1.6 (catechol O-methyltransferase) inhibitor
dinoprostone	[no description available]	medium	8	0	prostaglandins E	human metabolite; mouse metabolite; oxytocic
dinoprost	[no description available]	medium	2	0	monocarboxylic acid; prostaglandins Falpha	human metabolite; mouse metabolite
calcitriol	[no description available]	medium	2	0	D3 vitamins; hydroxycalciol; triol	antineoplastic agent; antipsoriatic; bone density conservation agent; calcium channel agonist; calcium channel modulator; hormone; human metabolite; immunomodulator; metabolite; mouse metabolite; nutraceutical
beta carotene	[no description available]	medium	1	0	carotenoid beta-end derivative; cyclic carotene	antioxidant; biological pigment; cofactor; ferroptosis inhibitor; human metabolite; mouse metabolite; plant metabolite; provitamin A
alprostadil	[no description available]	medium	3	0	prostaglandins E	anticoagulant; human metabolite; platelet aggregation inhibitor; vasodilator agent
cholecalciferol	[no description available]	medium	1	0	D3 vitamins; hydroxy seco-steroid; seco-cholestane; secondary alcohol; steroid hormone	geroprotector; human metabolite
amphotericin b	[no description available]	medium	5	0	antibiotic antifungal drug; macrolide antibiotic; polyene antibiotic	antiamoebic agent; antiprotozoal drug; bacterial metabolite
clavulanic acid	[no description available]	medium	1	0	oxapenam	antibacterial drug; anxiolytic drug; bacterial metabolite; EC 3.5.2.6 (beta-lactamase) inhibitor
pulmicort	[no description available]	medium	3	0	11beta-hydroxy steroid; 20-oxo steroid; 21-hydroxy steroid; 3-oxo-Delta(1),Delta(4)-steroid; cyclic acetal; glucocorticoid; primary alpha-hydroxy ketone	anti-inflammatory drug; bronchodilator agent; drug allergen
oxymetholone	[no description available]	medium	1	0
montelukast	[no description available]	medium	1	0	aliphatic sulfide; monocarboxylic acid; quinolines	anti-arrhythmia drug; anti-asthmatic drug; leukotriene antagonist
mycophenolate mofetil	[no description available]	medium	1	0	carboxylic ester; ether; gamma-lactone; phenols; tertiary amino compound	anticoronaviral agent; EC 1.1.1.205 (IMP dehydrogenase) inhibitor; immunosuppressive agent; prodrug
entacapone	[no description available]	medium	1	0	2-nitrophenols; catechols; monocarboxylic acid amide; nitrile	antidyskinesia agent; antiparkinson drug; central nervous system drug; EC 2.1.1.6 (catechol O-methyltransferase) inhibitor
astaxanthine	[no description available]	medium	1	0	carotenol; carotenone	animal metabolite; anticoagulant; antioxidant; food colouring; plant metabolite
diosmin	[no description available]	medium	2	0	dihydroxyflavanone; disaccharide derivative; glycosyloxyflavone; monomethoxyflavone; rutinoside	anti-inflammatory agent; antioxidant
cynarine	[no description available]	medium	1	0	alkyl caffeate ester; quinic acid	plant metabolite
sdz psc 833	[no description available]	medium	1	0	homodetic cyclic peptide
coenzyme q10	[no description available]	medium	1	0	ubiquinones	antioxidant; ferroptosis inhibitor; human metabolite
tranilast	[no description available]	medium	2	0	amidobenzoic acid; cinnamamides; dimethoxybenzene; secondary carboxamide	anti-allergic agent; anti-asthmatic drug; antineoplastic agent; aryl hydrocarbon receptor agonist; calcium channel blocker; hepatoprotective agent; nephroprotective agent
etretinate	[no description available]	medium	1	0	enoate ester; ethyl ester; retinoid	keratolytic drug
isotretinoin	[no description available]	medium	12	0	retinoic acid	antineoplastic agent; keratolytic drug; teratogenic agent
misoprostol	[no description available]	medium	1	0
ozagrel	[no description available]	medium	1	0	cinnamic acids
pitavastatin	[no description available]	medium	1	0	cyclopropanes; dihydroxy monocarboxylic acid; monofluorobenzenes; quinolines; statin (synthetic)	antioxidant
alatrofloxacin mesylate	[no description available]	medium	1	0
codeine	[no description available]	medium	1	0	morphinane alkaloid; organic heteropentacyclic compound	antitussive; drug allergen; environmental contaminant; opioid analgesic; opioid receptor agonist; prodrug; xenobiotic
cyclosporine	[no description available]	medium	2	0	homodetic cyclic peptide	anti-asthmatic drug; anticoronaviral agent; antifungal agent; antirheumatic drug; carcinogenic agent; dermatologic drug; EC 3.1.3.16 (phosphoprotein phosphatase) inhibitor; geroprotector; immunosuppressive agent; metabolite
natamycin	[no description available]	medium	2	0	antibiotic antifungal drug; dicarboxylic acid monoester; epoxide; macrolide antibiotic; monosaccharide derivative; polyene antibiotic	antifungal agrochemical; antimicrobial food preservative; apoptosis inducer; bacterial metabolite; ophthalmology drug
acitretin	[no description available]	medium	1	0	acitretin; alpha,beta-unsaturated monocarboxylic acid; retinoid	keratolytic drug
dothiepin	[no description available]	medium	1	0	dothiepin
levetiracetam	[no description available]	medium	1	0	pyrrolidin-2-ones	anticonvulsant; environmental contaminant; xenobiotic
nalorphine	[no description available]	medium	1	0	morphinane alkaloid
naloxone	[no description available]	medium	1	0	morphinane alkaloid; organic heteropentacyclic compound; tertiary alcohol	antidote to opioid poisoning; central nervous system depressant; mu-opioid receptor antagonist
oxymorphone	[no description available]	medium	1	0	morphinane alkaloid
sirolimus	[no description available]	medium	7	0	antibiotic antifungal drug; cyclic acetal; cyclic ketone; ether; macrolide lactam; organic heterotricyclic compound; secondary alcohol	antibacterial drug; anticoronaviral agent; antineoplastic agent; bacterial metabolite; geroprotector; immunosuppressive agent; mTOR inhibitor
topiramate	[no description available]	medium	1	0	cyclic ketal; ketohexose derivative; sulfamate ester	anticonvulsant; sodium channel blocker
alvocidib	[no description available]	medium	1	0	dihydroxyflavone; hydroxypiperidine; monochlorobenzenes; tertiary amino compound	antineoplastic agent; antirheumatic drug; apoptosis inducer; EC 2.7.11.22 (cyclin-dependent kinase) inhibitor
seocalcitol	[no description available]	medium	1	0
fenretinide	[no description available]	medium	2	0	monocarboxylic acid amide; retinoid	antineoplastic agent; antioxidant
geldanamycin	[no description available]	medium	1	0	1,4-benzoquinones; ansamycin; carbamate ester; organic heterobicyclic compound	antimicrobial agent; antineoplastic agent; antiviral agent; cysteine protease inhibitor; Hsp90 inhibitor
morphine	[no description available]	high	2	0	morphinane alkaloid; organic heteropentacyclic compound; tertiary amino compound	anaesthetic; drug allergen; environmental contaminant; geroprotector; mu-opioid receptor agonist; opioid analgesic; plant metabolite; vasodilator agent; xenobiotic
demycarosylturimycin h	[no description available]	medium	1	0
iloprost	[no description available]	medium	1	0	carbobicyclic compound; monocarboxylic acid; secondary alcohol	platelet aggregation inhibitor; vasodilator agent
vinorelbine	[no description available]	medium	2	0	acetate ester; methyl ester; organic heteropentacyclic compound; organic heterotetracyclic compound; ring assembly; vinca alkaloid	antineoplastic agent; photosensitizing agent
furazolidone	[no description available]	medium	2	0
fluvoxamine	[no description available]	medium	1	0	(trifluoromethyl)benzenes; 5-methoxyvalerophenone O-(2-aminoethyl)oxime	antidepressant; anxiolytic drug; serotonin uptake inhibitor
semaxinib	[no description available]	medium	1	0	olefinic compound; oxindoles; pyrroles	angiogenesis modulating agent; antineoplastic agent; EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor; vascular endothelial growth factor receptor antagonist
orantinib	[no description available]	medium	1	0
(6E)-7-[3-(4-fluorophenyl)-1-(propan-2-yl)-1H-indol-2-yl]-3,5-dihydroxyhept-6-enoic acid	[no description available]	medium	1	0	dihydroxy monocarboxylic acid; indoles; organofluorine compound
molsidomine	[no description available]	medium	2	0	ethyl ester; morpholines; oxadiazole; zwitterion	antioxidant; apoptosis inhibitor; cardioprotective agent; nitric oxide donor; vasodilator agent
naltrexone	[no description available]	medium	1	0	cyclopropanes; morphinane-like compound; organic heteropentacyclic compound	antidote to opioid poisoning; central nervous system depressant; environmental contaminant; mu-opioid receptor antagonist; xenobiotic
dextromethorphan	[no description available]	medium	1	0	6-methoxy-11-methyl-1,3,4,9,10,10a-hexahydro-2H-10,4a-(epiminoethano)phenanthrene	antitussive; environmental contaminant; neurotoxin; NMDA receptor antagonist; oneirogen; prodrug; xenobiotic
cefixime	[no description available]	medium	1	0	cephalosporin	antibacterial drug; drug allergen
lisinopril	[no description available]	medium	1	0	dipeptide	EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor
ramipril	[no description available]	medium	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
indinavir sulfate	[no description available]	medium	1	0	dicarboxylic acid diamide; N-(2-hydroxyethyl)piperazine; piperazinecarboxamide	HIV protease inhibitor
enalapril	[no description available]	medium	4	0	dicarboxylic acid monoester; dipeptide	antihypertensive agent; EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor; geroprotector; prodrug
nitrofurazone	[no description available]	medium	1	0
bleomycin	[no description available]	medium	2	0	bleomycin	antineoplastic agent; metabolite
enalaprilat anhydrous	[no description available]	medium	1	0	dicarboxylic acid; dipeptide	antihypertensive agent; EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor
imidapril	[no description available]	medium	1	0	dicarboxylic acid monoester; dipeptide; ethyl ester; imidazolidines; N-acylurea; secondary amino compound	antihypertensive agent; EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor; prodrug
sulindac sulfone	[no description available]	medium	1	0	monocarboxylic acid; organofluorine compound; sulfone	apoptosis inducer; cyclooxygenase 2 inhibitor; EC 1.13.11.34 (arachidonate 5-lipoxygenase) inhibitor
ximelagatran	[no description available]	medium	1	0	amidoxime; azetidines; carboxamide; ethyl ester; hydroxylamines; secondary amino compound; secondary carboxamide; tertiary carboxamide	anticoagulant; EC 3.4.21.5 (thrombin) inhibitor; prodrug; serine protease inhibitor
ceftriaxone	[no description available]	medium	1	0	1,2,4-triazines; 1,3-thiazoles; cephalosporin; oxime O-ether	antibacterial drug; drug allergen; EC 3.5.2.6 (beta-lactamase) inhibitor
trandolapril	[no description available]	medium	1	0	dicarboxylic acid monoester; dipeptide; ethyl ester; organic heterobicyclic compound; secondary amino compound; tertiary carboxamide	antihypertensive agent; EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor; prodrug
guanabenz acetate	[no description available]	medium	2	0	dichlorobenzene	geroprotector
famotidine	[no description available]	medium	1	0	1,3-thiazoles; guanidines; sulfonamide	anti-ulcer drug; H2-receptor antagonist; P450 inhibitor
cefotaxime	[no description available]	medium	2	0	1,3-thiazoles; cephalosporin; oxime O-ether	antibacterial drug; drug allergen
aztreonam	[no description available]	medium	1	0	beta-lactam antibiotic allergen; monobactam	antibacterial drug; drug allergen; EC 2.4.1.129 (peptidoglycan glycosyltransferase) inhibitor
proguanil	[no description available]	medium	1	0	biguanides; monochlorobenzenes	antimalarial; antiprotozoal drug; EC 1.5.1.3 (dihydrofolate reductase) inhibitor
rifamycin sv	[no description available]	medium	1	0	acetate ester; cyclic ketal; lactam; macrocycle; organic heterotetracyclic compound; polyphenol; rifamycins	antimicrobial agent; antitubercular agent; bacterial metabolite
epoprostenol sodium	[no description available]	medium	1	0	prostanoid
ixabepilone	[no description available]	medium	1	0	1,3-thiazoles; beta-hydroxy ketone; epoxide; lactam; macrocycle	antineoplastic agent; microtubule-destabilising agent
azlocillin	[no description available]	medium	1	0	penicillin allergen; penicillin; semisynthetic derivative	antibacterial drug
dantrolene sodium	[no description available]	medium	1	0
nitrofurantoin	[no description available]	medium	1	0	imidazolidine-2,4-dione; nitrofuran antibiotic; organonitrogen heterocyclic antibiotic; organooxygen heterocyclic antibiotic	antibacterial drug; antiinfective agent; hepatotoxic agent
nifurtimox	[no description available]	medium	1	0	nitrofuran antibiotic
roxithromycin	[no description available]	medium	2	0	roxithromycin	environmental contaminant; xenobiotic
beraprost	[no description available]	high	1	0	enyne; monocarboxylic acid; organic heterotricyclic compound; secondary alcohol; secondary allylic alcohol	anti-inflammatory agent; antihypertensive agent; platelet aggregation inhibitor; prostaglandin receptor agonist; vasodilator agent
lanreotide	[no description available]	medium	1	0
lu 208075	[no description available]	medium	1	0	diarylmethane
acetylcarnitine	[no description available]	medium	1	0	O-acetylcarnitine; saturated fatty acyl-L-carnitine	human metabolite; Saccharomyces cerevisiae metabolite
nifurtoinol	[no description available]	medium	1	0	hydrazone; imidazolidine-2,4-dione; nitrofuran antibiotic; organonitrogen heterocyclic antibiotic	antibacterial drug; antiinfective agent; hepatotoxic agent
fosinopril	[no description available]	medium	1	0
eflucimibe	[no description available]	medium	1	0
etomoxir	[no description available]	medium	1	0	aromatic ether
pentagastrin	[no description available]	medium	1	0	organic molecular entity
gentamicin sulfate	[no description available]	medium	1	0
azd 6244	[no description available]	medium	1	0	benzimidazoles; bromobenzenes; hydroxamic acid ester; monochlorobenzenes; organofluorine compound; secondary amino compound	anticoronaviral agent; antineoplastic agent; EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor
vinflunine	[no description available]	medium	1	0	acetate ester; methyl ester; organic heteropentacyclic compound; organic heterotetracyclic compound; semisynthetic derivative; vinca alkaloid	antineoplastic agent
baci-im	[no description available]	medium	1	0	homodetic cyclic peptide; polypeptide; zwitterion	antibacterial agent; antimicrobial agent
pf 03491390	[no description available]	medium	1	0
amodiaquine hydrochloride	[no description available]	medium	1	0
mesna	[no description available]	medium	1	0	organosulfonic acid
cerivastatin sodium	[no description available]	medium	1	0	organic sodium salt; statin (synthetic)
monensin	[no description available]	medium	2	0
oxacillin sodium	[no description available]	medium	1	0	organic sodium salt
sodium diatrizoate	[no description available]	medium	2	0	organic sodium salt; organoiodine compound	radioopaque medium
ascorbic acid	[no description available]	medium	17	0	ascorbic acid; vitamin C	coenzyme; cofactor; flour treatment agent; food antioxidant; food colour retention agent; geroprotector; plant metabolite; skin lightening agent
novobiocin	[no description available]	medium	1	0	carbamate ester; ether; hexoside; hydroxycoumarin; monocarboxylic acid amide; monosaccharide derivative; phenols	antibacterial agent; antimicrobial agent; EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor; Escherichia coli metabolite; hepatoprotective agent
tetracycline	[no description available]	medium	2	0
chlortetracycline	[no description available]	medium	1	0
oxytetracycline, anhydrous	[no description available]	medium	3	0
minocycline	[no description available]	medium	2	0
dicumarol	[no description available]	medium	2	0	hydroxycoumarin	anticoagulant; EC 1.6.5.2 [NAD(P)H dehydrogenase (quinone)] inhibitor; Hsp90 inhibitor; vitamin K antagonist
piroxicam	[no description available]	medium	2	0	benzothiazine; monocarboxylic acid amide; pyridines	analgesic; antirheumatic drug; cyclooxygenase 1 inhibitor; EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor; non-steroidal anti-inflammatory drug
acenocoumarol	[no description available]	medium	2	0	C-nitro compound; hydroxycoumarin; methyl ketone	anticoagulant; EC 1.6.5.2 [NAD(P)H dehydrogenase (quinone)] inhibitor
mobic	[no description available]	medium	3	0	1,3-thiazoles; benzothiazine; monocarboxylic acid amide	analgesic; antirheumatic drug; cyclooxygenase 2 inhibitor; non-steroidal anti-inflammatory drug
mobiflex	[no description available]	medium	2	0	heteroaryl hydroxy compound; monocarboxylic acid amide; pyridines; thienothiazine	antipyretic; EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor; non-narcotic analgesic; non-steroidal anti-inflammatory drug
warfarin	[no description available]	medium	23	0	benzenes; hydroxycoumarin; methyl ketone
phenprocoumon	[no description available]	medium	1	0	hydroxycoumarin	anticoagulant; EC 1.6.5.2 [NAD(P)H dehydrogenase (quinone)] inhibitor
rolitetracycline	[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
acyclovir	[no description available]	medium	3	0	2-aminopurines; oxopurine	antimetabolite; antiviral drug
inosine	[no description available]	medium	2	0	inosines; purines D-ribonucleoside	Escherichia coli metabolite; human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite
folic acid	[no description available]	medium	5	0	folic acids; N-acyl-amino acid	human metabolite; mouse metabolite; nutrient
folic acid	[no description available]	medium	5	1	folic acids; N-acyl-amino acid	human metabolite; mouse metabolite; nutrient
rifampin	[no description available]	medium	3	0	cyclic ketal; hydrazone; N-iminopiperazine; N-methylpiperazine; rifamycins; semisynthetic derivative; zwitterion	angiogenesis inhibitor; antiamoebic agent; antineoplastic agent; antitubercular agent; DNA synthesis inhibitor; EC 2.7.7.6 (RNA polymerase) inhibitor; Escherichia coli metabolite; geroprotector; leprostatic drug; neuroprotective agent; pregnane X receptor agonist; protein synthesis inhibitor
clozapine	[no description available]	medium	2	0	benzodiazepine; N-arylpiperazine; N-methylpiperazine; organochlorine compound	adrenergic antagonist; dopaminergic antagonist; EC 3.4.21.26 (prolyl oligopeptidase) inhibitor; environmental contaminant; GABA antagonist; histamine antagonist; muscarinic antagonist; second generation antipsychotic; serotonergic antagonist; xenobiotic
dacarbazine	[no description available]	medium	2	0	dacarbazine
didanosine	[no description available]	medium	1	0	purine 2',3'-dideoxyribonucleoside	antimetabolite; antiviral drug; EC 2.4.2.1 (purine-nucleoside phosphorylase) inhibitor; geroprotector; HIV-1 reverse transcriptase inhibitor
ganciclovir	[no description available]	medium	2	0	2-aminopurines; oxopurine	antiinfective agent; antiviral drug
sildenafil	[no description available]	medium	1	0	piperazines; pyrazolopyrimidine; sulfonamide	EC 3.1.4.35 (3',5'-cyclic-GMP phosphodiesterase) inhibitor; vasodilator agent
olanzapine	[no description available]	medium	1	0	benzodiazepine; N-arylpiperazine; N-methylpiperazine	antiemetic; dopaminergic antagonist; histamine antagonist; muscarinic antagonist; second generation antipsychotic; serotonergic antagonist; serotonin uptake inhibitor
penciclovir	[no description available]	medium	1	0	2-aminopurines; propane-1,3-diols	antiviral drug
oxypurinol	[no description available]	medium	1	0	pyrazolopyrimidine	drug metabolite; EC 1.17.3.2 (xanthine oxidase) inhibitor
raltitrexed	[no description available]	medium	1	0	N-acyl-amino acid
allopurinol	[no description available]	medium	3	0	nucleobase analogue; organic heterobicyclic compound	antimetabolite; EC 1.17.3.2 (xanthine oxidase) inhibitor; gout suppressant; radical scavenger
leucovorin	[no description available]	medium	1	0	formyltetrahydrofolic acid	Escherichia coli metabolite; mouse metabolite
alanosine	[no description available]	medium	1	0
tirapazamine	[no description available]	medium	1	0	aromatic amine; benzotriazines; N-oxide	antibacterial agent; antineoplastic agent; apoptosis inducer
rifabutin	[no description available]	medium	1	0
4-aminophenol	[no description available]	medium	1	0	aminophenol	allergen; metabolite
indoleacetic acid	[no description available]	medium	1	0	indole-3-acetic acids; monocarboxylic acid	auxin; human metabolite; mouse metabolite; plant hormone; plant metabolite
melatonin	[no description available]	medium	1	0	acetamides; tryptamines	anticonvulsant; central nervous system depressant; geroprotector; hormone; human metabolite; immunological adjuvant; mouse metabolite; radical scavenger
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]	high	4	0	5-methoxyfurocoumarin; organic heterotricyclic compound; psoralens	hepatoprotective agent; plant metabolite
2,3-dimethoxy-5-methyl-6-decyl-1,4-benzoquinone	[no description available]	medium	1	0	1,4-benzoquinones	cofactor
3,3'-diindolylmethane	[no description available]	medium	1	0	indoles	antineoplastic agent; P450 inhibitor
embelin	[no description available]	medium	2	0	dihydroxy-1,4-benzoquinones	antimicrobial agent; antineoplastic agent; hepatitis C protease inhibitor; plant metabolite
emodin	[no description available]	medium	1	0	trihydroxyanthraquinone	antineoplastic agent; laxative; plant metabolite; tyrosine kinase inhibitor
hypericin	[no description available]	medium	2	0
indole-3-carbinol	[no description available]	medium	1	0	indolyl alcohol	antineoplastic agent; plant metabolite
nsc 664704	[no description available]	medium	2	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
kinetin	[no description available]	medium	1	0	6-aminopurines; furans	cytokinin; geroprotector
lavendustin a	[no description available]	medium	1	0	aromatic amine
lavendustin b	[no description available]	medium	1	0
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
patulin	[no description available]	medium	1	0	furopyran; gamma-lactone; lactol	antimicrobial agent; Aspergillus metabolite; carcinogenic agent; mutagen; mycotoxin; Penicillium metabolite
phloretin	[no description available]	medium	1	0	dihydrochalcones	antineoplastic agent; plant metabolite
sanguinarine	[no description available]	medium	1	0	alkaloid antibiotic; benzophenanthridine alkaloid; botanical anti-fungal agent
streptonigrin	[no description available]	medium	2	0	pyridines; quinolone	antimicrobial agent; antineoplastic agent
tetrahydropapaverine	[no description available]	medium	1	0	aromatic ether; benzylisoquinoline alkaloid; benzyltetrahydroisoquinoline; polyether; secondary amino compound
theobromine	[no description available]	medium	1	0	dimethylxanthine	adenosine receptor antagonist; bronchodilator agent; food component; human blood serum metabolite; mouse metabolite; plant metabolite; vasodilator agent
trioxsalen	[no description available]	medium	4	0	psoralens	dermatologic drug; photosensitizing agent
pilocarpine hydrochloride	[no description available]	medium	3	0	hydrochloride
cantharidin	[no description available]	medium	1	0	cyclic dicarboxylic anhydride; monoterpenoid	EC 3.1.3.16 (phosphoprotein phosphatase) inhibitor; herbicide
veratramine	[no description available]	medium	2	0	piperidine alkaloid
phlorhizin	[no description available]	medium	1	0	aryl beta-D-glucoside; dihydrochalcones; monosaccharide derivative	antioxidant; plant metabolite
papaverine hydrochloride	[no description available]	medium	2	0
yohimbine hydrochloride	[no description available]	medium	1	0
cycloheximide	[no description available]	medium	3	0	antibiotic fungicide; cyclic ketone; dicarboximide; piperidine antibiotic; piperidones; secondary alcohol	anticoronaviral agent; bacterial metabolite; ferroptosis inhibitor; neuroprotective agent; protein synthesis inhibitor
gliotoxin	[no description available]	medium	1	0	dipeptide; organic disulfide; organic heterotetracyclic compound; pyrazinoindole	antifungal agent; EC 2.5.1.58 (protein farnesyltransferase) inhibitor; immunosuppressive agent; mycotoxin; proteasome inhibitor
tubercidin	[no description available]	medium	1	0	antibiotic antifungal agent; N-glycosylpyrrolopyrimidine; ribonucleoside	antimetabolite; antineoplastic agent; bacterial metabolite
veratridine	[no description available]	medium	1	0	steroid	sodium channel modulator
gibberellic acid	[no description available]	medium	2	0	C19-gibberellin; gibberellin monocarboxylic acid; lactone; organic heteropentacyclic compound	mouse metabolite; plant metabolite
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	2	0	piperidines
indirubin	[no description available]	medium	1	0
plumbagin	[no description available]	medium	2	0	hydroxy-1,4-naphthoquinone; phenols	anticoagulant; antineoplastic agent; immunological adjuvant; metabolite
cepharanthine	[no description available]	medium	1	0	bisbenzylisoquinoline alkaloid; isoquinolines
aloe emodin	[no description available]	medium	1	0	aromatic primary alcohol; dihydroxyanthraquinone	antineoplastic agent; plant metabolite
osthol	[no description available]	medium	2	0	botanical anti-fungal agent; coumarins	metabolite
cytisine	[no description available]	medium	1	0	alkaloid; bridged compound; lactam; organic heterotricyclic compound; secondary amino compound	nicotinic acetylcholine receptor agonist; phytotoxin; plant metabolite
bicuculline	[no description available]	medium	2	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	1	0	dicarboxylic acid; L-proline derivative; non-proteinogenic L-alpha-amino acid; pyrrolidinecarboxylic acid	antinematodal drug; excitatory amino acid agonist
thymoquinone	[no description available]	medium	1	0	1,4-benzoquinones	adjuvant; anti-inflammatory agent; antidepressant; antineoplastic agent; antioxidant; cardioprotective agent; plant metabolite
oleanolic acid	[no description available]	medium	2	0	hydroxy monocarboxylic acid; pentacyclic triterpenoid	plant metabolite
azomycin	[no description available]	medium	1	0	C-nitro compound; imidazoles	antitubercular agent
vincamine	[no description available]	medium	1	0	alkaloid ester; hemiaminal; methyl ester; organic heteropentacyclic compound; vinca alkaloid	antihypertensive agent; metabolite; vasodilator agent
muscarine	[no description available]	medium	1	0
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
tetradecanoylphorbol acetate	[no description available]	medium	2	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
2-bromoergocryptine mesylate	[no description available]	medium	1	0	methanesulfonate salt	antiparkinson drug
zingerone	[no description available]	medium	1	0	methyl ketone; monomethoxybenzene; phenols	anti-inflammatory agent; antiemetic; antioxidant; flavouring agent; fragrance; plant metabolite; radiation protective agent
phorbol 12,13-dibutyrate	[no description available]	medium	2	0	butyrate ester; phorbol ester; tertiary alpha-hydroxy ketone
cephradine	[no description available]	medium	1	0	beta-lactam antibiotic allergen; cephalosporin	antibacterial drug
quisqualic acid	[no description available]	medium	1	0	non-proteinogenic alpha-amino acid
colforsin	[no description available]	medium	3	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
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
mevastatin	[no description available]	medium	1	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
ursolic acid	[no description available]	medium	1	0	hydroxy monocarboxylic acid; pentacyclic triterpenoid	geroprotector; plant metabolite
norharman	[no description available]	medium	2	0	beta-carbolines; mancude organic heterotricyclic parent	fungal metabolite; marine metabolite
epigallocatechin gallate	[no description available]	medium	1	0	flavans; gallate ester; polyphenol	antineoplastic agent; antioxidant; apoptosis inducer; geroprotector; Hsp90 inhibitor; neuroprotective agent; plant metabolite
baccatin iii	[no description available]	medium	1	0	acetate ester; benzoate ester; tetracyclic diterpenoid	plant metabolite
taleranol	[no description available]	medium	1	0	macrolide
narasin	[no description available]	medium	1	0	diterpene glycoside
quassin	[no description available]	medium	1	0	triterpenoid
tomatidine	[no description available]	medium	1	0	3beta-hydroxy steroid; azaspiro compound; oxaspiro compound
aloxistatin	[no description available]	medium	2	0	epoxide; ethyl ester; L-leucine derivative; monocarboxylic acid amide	anticoronaviral agent; cathepsin B inhibitor
rutecarpine	[no description available]	medium	1	0	beta-carbolines
bergenin	[no description available]	medium	1	0	trihydroxybenzoic acid	metabolite
pinocembrin	[no description available]	medium	1	0	(2S)-flavan-4-one; dihydroxyflavanone	antineoplastic agent; antioxidant; metabolite; neuroprotective agent; vasodilator agent
isoscopoletin	[no description available]	medium	1	0	aromatic ether; hydroxycoumarin	plant metabolite
vinburnine	[no description available]	medium	2	0	alkaloid
epicatechin	[no description available]	medium	1	0	catechin; polyphenol	antioxidant
hesperetin	[no description available]	medium	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	1	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
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	2	0	beta-carbolines
deguelin	[no description available]	medium	1	0	aromatic ether; diether; organic heteropentacyclic compound; rotenones	angiogenesis inhibitor; anti-inflammatory agent; antineoplastic agent; antiviral agent; apoptosis inducer; EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor; mitochondrial NADH:ubiquinone reductase inhibitor; plant metabolite
catechin	[no description available]	medium	1	0	hydrate	geroprotector
daidzin	[no description available]	medium	1	0	7-hydroxyisoflavones 7-O-beta-D-glucoside; hydroxyisoflavone; monosaccharide derivative	plant metabolite
cafestol	[no description available]	medium	1	0	diterpenoid; furans; organic heteropentacyclic compound; primary alcohol; tertiary alcohol	angiogenesis inhibitor; anti-inflammatory agent; antineoplastic agent; antioxidant; apoptosis inducer; hypoglycemic agent; plant metabolite
parthenolide	[no description available]	medium	1	0	germacranolide
homoorientin	[no description available]	medium	1	0	flavone C-glycoside; tetrahydroxyflavone	antineoplastic agent; radical scavenger
asiatic acid	[no description available]	medium	1	0	monocarboxylic acid; pentacyclic triterpenoid; triol	angiogenesis modulating agent; metabolite
angustmycin a	[no description available]	medium	1	0	6-aminopurines
razadyne	[no description available]	medium	1	0
phytosphingosine	[no description available]	medium	1	0	amino alcohol; sphingoid; triol	mouse metabolite; Saccharomyces cerevisiae metabolite
tetradecanoylphorbol acetate	[no description available]	medium	1	0
celastrol	[no description available]	medium	1	0	monocarboxylic acid; pentacyclic triterpenoid	anti-inflammatory drug; antineoplastic agent; antioxidant; EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor; Hsp90 inhibitor; metabolite
4'-demethylepipodophyllotoxin	[no description available]	medium	1	0	furonaphthodioxole; organic heterotetracyclic compound; phenols	antineoplastic agent
n-(n-(3-carboxyoxirane-2-carbonyl)leucyl)isoamylamine	[no description available]	medium	2	0	leucine derivative
e 64	[no description available]	medium	1	0	dicarboxylic acid monoamide; epoxy monocarboxylic acid; guanidines; L-leucine derivative; zwitterion	antimalarial; antiparasitic agent; protease inhibitor
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]	high	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	2	0	botanical anti-fungal agent; santonin	plant metabolite
vincristine sulfate	[no description available]	medium	1	0	organic sulfate salt	antineoplastic agent; geroprotector
anisomycin	[no description available]	medium	1	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
acivicin	[no description available]	medium	1	0	isoxazoles; non-proteinogenic L-alpha-amino acid; organochlorine compound	antileishmanial agent; antimetabolite; antimicrobial agent; antineoplastic agent; EC 2.3.2.2 (gamma-glutamyltransferase) inhibitor; glutamine antagonist; metabolite
ketopinic acid	[no description available]	medium	1	0
wortmannin	[no description available]	medium	1	0	acetate ester; cyclic ketone; delta-lactone; organic heteropentacyclic compound	anticoronaviral agent; antineoplastic agent; autophagy inhibitor; EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor; geroprotector; Penicillium metabolite; radiosensitizing agent
gitoxigenin	[no description available]	medium	2	0	14beta-hydroxy steroid; 16beta-hydroxy steroid; 3beta-hydroxy steroid
graveoline	[no description available]	medium	1	0	quinolines
4-oxy-6-(4-oxybezoyloxy)dauc-8,9-en	[no description available]	medium	1	0
naringenin	[no description available]	medium	1	0	(2S)-flavan-4-one; naringenin	expectorant; plant metabolite
puromycin	[no description available]	medium	1	0	puromycins	antiinfective agent; antimicrobial agent; antineoplastic agent; EC 3.4.11.14 (cytosol alanyl aminopeptidase) inhibitor; EC 3.4.14.2 (dipeptidyl-peptidase II) inhibitor; nucleoside antibiotic; protein synthesis inhibitor
taxifolin	[no description available]	medium	1	0	taxifolin	metabolite
mimosine	[no description available]	medium	1	0	4-pyridones; amino acid zwitterion; non-proteinogenic L-alpha-amino acid	EC 1.14.18.1 (tyrosinase) inhibitor; plant metabolite
eriodictyol	[no description available]	medium	1	0	3'-hydroxyflavanones; tetrahydroxyflavanone
arbutin	[no description available]	medium	1	0	beta-D-glucoside; monosaccharide derivative	Escherichia coli metabolite; plant metabolite
conessine	[no description available]	medium	1	0	steroid alkaloid; tertiary amino compound	antibacterial agent; antimalarial; H3-receptor antagonist; plant metabolite
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	1	0	(2S)-flavan-4-one; 4'-hydroxyflavanones; dihydroxyflavanone; disaccharide derivative; neohesperidoside	anti-inflammatory agent; antineoplastic agent; metabolite
isonaringin	[no description available]	medium	1	0	(2S)-flavan-4-one; 4'-hydroxyflavanones; dihydroxyflavanone; disaccharide derivative; rutinoside	anti-inflammatory agent; antioxidant; metabolite
ochratoxin a	[no description available]	medium	1	0	isochromanes; monocarboxylic acid amide; N-acyl-L-phenylalanine; organochlorine compound; phenylalanine derivative	Aspergillus metabolite; calcium channel blocker; carcinogenic agent; mycotoxin; nephrotoxin; Penicillium metabolite; teratogenic agent
gingerol	[no description available]	medium	1	0	beta-hydroxy ketone; guaiacols	antineoplastic agent; plant metabolite
securinine	[no description available]	medium	1	0	indolizines
Dubinidine	[no description available]	medium	1	0	organic heterotricyclic compound; organonitrogen heterocyclic compound; oxacycle
vinpocetine	[no description available]	medium	2	0	alkaloid	geroprotector
dihydroergocristine monomesylate	[no description available]	medium	2	0	methanesulfonate salt	alpha-adrenergic antagonist; geroprotector; vasodilator agent
resveratrol	[no description available]	medium	4	0	resveratrol	antioxidant; phytoalexin; plant metabolite; quorum sensing inhibitor; radical scavenger
ferulic acid	[no description available]	medium	1	0	ferulic acids	anti-inflammatory agent; antioxidant; apoptosis inhibitor; cardioprotective agent; MALDI matrix material; plant metabolite
thapsigargin	[no description available]	medium	1	0	butyrate ester; organic heterotricyclic compound; sesquiterpene lactone	calcium channel blocker; EC 3.6.3.8 (Ca(2+)-transporting ATPase) inhibitor
L-cycloserine	[no description available]	medium	1	0	4-amino-1,2-oxazolidin-3-one	anti-HIV agent; anticonvulsant; EC 2.3.1.50 (serine C-palmitoyltransferase) inhibitor
12-deoxyphorbol 13-acetate	[no description available]	medium	1	0	phorbol ester	metabolite
aphidicolin	[no description available]	medium	2	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	3	0	benzodioxoles; N-acylpiperidine; piperidine alkaloid; tertiary carboxamide	food component; human blood serum metabolite; NF-kappaB inhibitor; plant metabolite
rauwolscine	[no description available]	medium	1	0	methyl 17-hydroxy-20xi-yohimban-16-carboxylate
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
3,3',4,5'-tetrahydroxystilbene	[no description available]	medium	1	0	catechols; polyphenol; resorcinols; stilbenol	antineoplastic agent; apoptosis inducer; geroprotector; hypoglycemic agent; plant metabolite; protein kinase inhibitor; tyrosine kinase inhibitor
caffeic acid	[no description available]	medium	2	0	caffeic acid	geroprotector; mouse metabolite
cotinine	[no description available]	medium	1	0	N-alkylpyrrolidine; pyridines; pyrrolidin-2-ones; pyrrolidine alkaloid	antidepressant; biomarker; human xenobiotic metabolite; plant metabolite
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	1	0	coumarins; monoterpenoid	antihypertensive agent; antineoplastic agent; antioxidant; apoptosis inducer; dopaminergic agent; EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor; gamma-secretase modulator; gastrointestinal drug; hepatoprotective agent; matrix metalloproteinase inhibitor; neuroprotective agent; plant metabolite; PPARalpha agonist; vulnerary
chlorogenic acid	[no description available]	medium	1	0	cinnamate ester; tannin	food component; plant metabolite
fumonisin b2	[no description available]	medium	1	0	diester; diol; fumonisin; primary amino compound	Aspergillus metabolite; carcinogenic agent
lincomycin	[no description available]	medium	1	0	carbohydrate-containing antibiotic; L-proline derivative; monocarboxylic acid amide; pyrrolidinecarboxamide; S-glycosyl compound	antimicrobial agent; bacterial metabolite
valinomycin	[no description available]	medium	1	0	cyclodepsipeptide; macrocycle	antimicrobial agent; antiviral agent; bacterial metabolite; potassium ionophore
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
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
biochanin a	[no description available]	medium	2	0	4'-methoxyisoflavones; 7-hydroxyisoflavones	antineoplastic agent; EC 3.5.1.99 (fatty acid amide hydrolase) inhibitor; phytoestrogen; plant metabolite; tyrosine kinase inhibitor
formononetin	[no description available]	medium	1	0	4'-methoxyisoflavones; 7-hydroxyisoflavones	phytoestrogen; plant metabolite
prostaglandin b1	[no description available]	medium	2	0	prostaglandins B	human metabolite
sterigmatocystin	[no description available]	medium	1	0	sterigmatocystins	metabolite
vitexin	[no description available]	medium	2	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
apigenin	[no description available]	medium	3	0	trihydroxyflavone	antineoplastic agent; metabolite
luteolin	[no description available]	medium	2	0	3'-hydroxyflavonoid; tetrahydroxyflavone	angiogenesis inhibitor; anti-inflammatory agent; antineoplastic agent; apoptosis inducer; c-Jun N-terminal kinase inhibitor; EC 2.3.1.85 (fatty acid synthase) inhibitor; immunomodulator; nephroprotective agent; plant metabolite; radical scavenger; vascular endothelial growth factor receptor antagonist
quercitrin	[no description available]	medium	1	0	alpha-L-rhamnoside; monosaccharide derivative; quercetin O-glycoside; tetrahydroxyflavone	antileishmanial agent; antioxidant; EC 1.1.1.184 [carbonyl reductase (NADPH)] inhibitor; EC 1.1.1.21 (aldehyde reductase) inhibitor; EC 1.14.18.1 (tyrosinase) inhibitor; plant metabolite
scopoletin	[no description available]	medium	1	0	hydroxycoumarin	plant growth regulator; plant metabolite
hymecromone	[no description available]	medium	2	0	hydroxycoumarin	antineoplastic agent; hyaluronic acid synthesis inhibitor
quercetin 3-o-glucopyranoside	[no description available]	medium	1	0	beta-D-glucoside; monosaccharide derivative; quercetin O-glucoside; tetrahydroxyflavone	antineoplastic agent; antioxidant; antipruritic drug; bone density conservation agent; geroprotector; histamine antagonist; osteogenesis regulator; plant metabolite
rutin	[no description available]	medium	7	0	disaccharide derivative; quercetin O-glucoside; rutinoside; tetrahydroxyflavone	antioxidant; metabolite
genistein	[no description available]	medium	3	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
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	2	0	macrolide; resorcinols	fungal metabolite; mycoestrogen
baicalein	[no description available]	medium	1	0	trihydroxyflavone	angiogenesis inhibitor; anti-inflammatory agent; antibacterial agent; anticoronaviral agent; antifungal agent; antineoplastic agent; antioxidant; apoptosis inducer; EC 1.13.11.31 (arachidonate 12-lipoxygenase) inhibitor; EC 1.13.11.33 (arachidonate 15-lipoxygenase) inhibitor; EC 3.4.21.26 (prolyl oligopeptidase) inhibitor; EC 3.4.22.69 (SARS coronavirus main proteinase) inhibitor; EC 4.1.1.17 (ornithine decarboxylase) inhibitor; ferroptosis inhibitor; geroprotector; hormone antagonist; plant metabolite; prostaglandin antagonist; radical scavenger
chrysin	[no description available]	medium	1	0	7-hydroxyflavonol; dihydroxyflavone	anti-inflammatory agent; antineoplastic agent; antioxidant; EC 2.7.11.18 (myosin-light-chain kinase) inhibitor; hepatoprotective agent; plant metabolite
datiscetin	[no description available]	medium	1	0	7-hydroxyflavonol; tetrahydroxyflavone
diosmetin	[no description available]	medium	1	0	3'-hydroxyflavonoid; monomethoxyflavone; trihydroxyflavone	angiogenesis inhibitor; anti-inflammatory agent; antineoplastic agent; antioxidant; apoptosis inducer; bone density conservation agent; cardioprotective agent; plant metabolite; tropomyosin-related kinase B receptor agonist; vasodilator agent
fisetin	[no description available]	medium	1	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
morin	[no description available]	medium	1	0	7-hydroxyflavonol; pentahydroxyflavone	angiogenesis modulating agent; anti-inflammatory agent; antibacterial agent; antihypertensive agent; antineoplastic agent; antioxidant; EC 5.99.1.2 (DNA topoisomerase) inhibitor; hepatoprotective agent; metabolite; neuroprotective agent
myricetin	[no description available]	medium	1	0	7-hydroxyflavonol; hexahydroxyflavone	antineoplastic agent; antioxidant; cyclooxygenase 1 inhibitor; food component; geroprotector; hypoglycemic agent; plant 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
daidzein	[no description available]	medium	1	0	7-hydroxyisoflavones	antineoplastic agent; EC 2.7.7.7 (DNA-directed DNA polymerase) inhibitor; EC 3.2.1.20 (alpha-glucosidase) inhibitor; phytoestrogen; plant metabolite
caffeic acid phenethyl ester	[no description available]	medium	1	0	alkyl caffeate ester	anti-inflammatory agent; antibacterial agent; antineoplastic agent; antioxidant; antiviral agent; immunomodulator; metabolite; neuroprotective agent
rosmarinic acid	[no description available]	medium	1	0	rosmarinic acid	geroprotector; plant metabolite
wedelolactone	[no description available]	medium	1	0	aromatic ether; coumestans; delta-lactone; polyphenol	antineoplastic agent; apoptosis inducer; EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor; hepatoprotective agent; metabolite
rottlerin	[no description available]	medium	2	0	aromatic ketone; benzenetriol; chromenol; enone; methyl ketone	anti-allergic agent; antihypertensive agent; antineoplastic agent; apoptosis inducer; K-ATP channel agonist; metabolite
7-hydroxyflavone	[no description available]	medium	1	0	hydroxyflavonoid
prostaglandin a1	[no description available]	medium	1	0	prostaglandins A
cerulenin	[no description available]	medium	1	0	epoxide; monocarboxylic acid amide	antifungal agent; antiinfective agent; antilipemic drug; antimetabolite; antimicrobial agent; fatty acid synthesis inhibitor
rhoifolin	[no description available]	medium	1	0	dihydroxyflavone; glycosyloxyflavone; neohesperidoside	metabolite
vitexin rhamnoside	[no description available]	medium	1	0	C-glycosyl compound; disaccharide derivative; trihydroxyflavone	plant metabolite
domoic acid	[no description available]	medium	1	0	L-proline derivative; non-proteinogenic L-alpha-amino acid; pyrrolidinecarboxylic acid; tricarboxylic acid	algal metabolite; hapten; marine metabolite; neuromuscular agent; neurotoxin
brefeldin a	[no description available]	medium	1	0	macrolide antibiotic	Penicillium metabolite
cytochalasin b	[no description available]	medium	2	0	cytochalasin; lactam; lactone; organic heterotricyclic compound	actin polymerisation inhibitor; metabolite; mycotoxin; platelet aggregation inhibitor
bisdemethoxycurcumin	[no description available]	medium	1	0	beta-diketone; diarylheptanoid; enone; polyphenol	EC 3.2.1.1 (alpha-amylase) inhibitor; metabolite
andrographolide	[no description available]	medium	1	0	carbobicyclic compound; gamma-lactone; labdane diterpenoid; primary alcohol; secondary alcohol	anti-HIV agent; anti-inflammatory drug; antineoplastic agent; metabolite
isorhamnetin 3-o-glucoside	[no description available]	medium	1	0	beta-D-glucoside; glycosyloxyflavone; monomethoxyflavone; monosaccharide derivative; trihydroxyflavone	metabolite
6,7-dihydroxyflavone	[no description available]	medium	1	0
flavokawain a	[no description available]	medium	1	0	chalcones
flavokawain b	[no description available]	medium	1	0	chalcones; dimethoxybenzene; phenols	anti-inflammatory agent; antileishmanial agent; antineoplastic agent; apoptosis inducer; metabolite
kavain	[no description available]	medium	2	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
vinblastine sulfate	[no description available]	medium	2	0
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	1	0	14alpha-hydroxy steroid; 20-hydroxy steroid; 22-hydroxy steroid; 25-hydroxy steroid; 2beta-hydroxy steroid; 3beta-sterol; ecdysteroid; phytoecdysteroid	animal metabolite; plant 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	1	0	N-acylsphingosine
monorden	[no description available]	medium	1	0	cyclic ketone; enone; epoxide; macrolide antibiotic; monochlorobenzenes; phenols	antifungal agent; metabolite; tyrosine kinase inhibitor
ginkgolide b	[no description available]	medium	1	0
homatropine hydrobromide, (endo-(+-)-isomer)	[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
butylscopolammonium bromide	[no description available]	medium	2	0
fumagillin	[no description available]	medium	1	0	antibiotic antifungal drug; carboxylic ester; dicarboxylic acid monoester; meroterpenoid; organooxygen heterocyclic antibiotic; spiro-epoxide	angiogenesis inhibitor; antibacterial drug; antimicrobial agent; antiprotozoal drug; fungal metabolite; methionine aminopeptidase 2 inhibitor
artesunate	[no description available]	medium	1	0	artemisinin derivative; cyclic acetal; dicarboxylic acid monoester; hemisuccinate; semisynthetic derivative; sesquiterpenoid	antimalarial; antineoplastic agent; ferroptosis inducer
anisodamine	[no description available]	medium	1	0
bufalin	[no description available]	medium	1	0	14beta-hydroxy steroid; 3beta-hydroxy steroid	animal metabolite; anti-inflammatory agent; antineoplastic agent; cardiotonic drug
alpha-solanine	[no description available]	medium	1	0	glycoalkaloid; organic heterohexacyclic compound; steroid saponin; trisaccharide derivative	antineoplastic agent; apoptosis inducer; phytotoxin; plant metabolite
apigenin-7-o-rutinoside	[no description available]	medium	1	0
gambogic acid	[no description available]	medium	1	0	pyranoxanthones	metabolite
bn 52020	[no description available]	medium	1	0
carmine	[no description available]	medium	1	0	C-glycosyl compound; monocarboxylic acid; tetrahydroxyanthraquinone	animal metabolite; histological dye
bavachinin	[no description available]	medium	1	0	flavanones
grayanotoxin iii	[no description available]	medium	1	0
Dihydrotanshinone I	[no description available]	medium	1	0	abietane diterpenoid	anticoronaviral agent
calcimycin	[no description available]	medium	2	0	benzoxazole
cinobufagin	[no description available]	medium	1	0	steroid lactone
atropine sulfate	[no description available]	medium	1	0
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
citrinin	[no description available]	medium	1	0
vulpinic acid	[no description available]	medium	1	0	butenolide
alpha-cyclopiazonic acid	[no description available]	medium	1	0	alpha-cyclopiazonic acids
loratadine	[no description available]	medium	2	0	benzocycloheptapyridine; ethyl ester; N-acylpiperidine; organochlorine compound; tertiary carboxamide	anti-allergic agent; cholinergic antagonist; geroprotector; H1-receptor antagonist
tinidazole	[no description available]	medium	2	0	imidazoles	antiamoebic agent; antibacterial drug; antiparasitic agent; antiprotozoal drug
terfenadine	[no description available]	medium	1	0	diarylmethane
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
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
diclofenac sodium	[no description available]	medium	2	0	organic sodium salt
gardenia yellow	[no description available]	medium	1	0	diester; disaccharide derivative; diterpenoid	antioxidant; food colouring; histological dye; plant metabolite
mangiferin	[no description available]	medium	1	0	C-glycosyl compound; xanthones	anti-inflammatory agent; antioxidant; hypoglycemic agent; plant metabolite
terbinafine hydrochloride	[no description available]	medium	1	0	allylamine antifungal drug; hydrochloride	EC 1.14.13.132 (squalene monooxygenase) inhibitor; P450 inhibitor
cambogin	[no description available]	medium	1	0
colistin sulfate	[no description available]	medium	1	0
aplysinopsin	[no description available]	medium	1	0
2-(3-pyridine)acetic acid	[no description available]	medium	1	0	monocarboxylic acid; pyridines	human xenobiotic metabolite
ureidosuccinic acid	[no description available]	medium	1	0	aspartic acid derivative; C4-dicarboxylic acid; N-carbamoyl-amino acid	Escherichia coli metabolite; human metabolite; Saccharomyces cerevisiae metabolite
arabinofuranosylcytosine triphosphate	[no description available]	medium	1	0	pyrimidine ribonucleoside monophosphate
aminoethylphosphonic acid	[no description available]	medium	1	0	phosphonic acids; primary amino compound; zwitterion	human metabolite; metabolite; mouse metabolite
gamma-guanidinobutyric acid	[no description available]	medium	1	0	guanidines; monocarboxylic acid; zwitterion	fungal metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite
pentachlorophenol	[no description available]	medium	2	0	aromatic fungicide; chlorophenol; organochlorine pesticide; pentachlorobenzenes	human xenobiotic metabolite
phenylalanine	[no description available]	medium	1	0	alpha-amino acid; aromatic amino acid	Daphnia magna metabolite
nsc-267703	[no description available]	medium	1	0	anthracycline
n-acetyltryptophan	[no description available]	medium	1	0	N-acetyl-amino acid; tryptophan derivative	metabolite
tyrphostin ag957	[no description available]	medium	1	0	aromatic amine
2-amino-4-phosphonobutyric acid	[no description available]	medium	1	0
benzylhydrochlorothiazide	[no description available]	medium	1	0	benzenes; benzothiadiazine; organochlorine compound; secondary amino compound; sulfonamide
eucalyptol	[no description available]	medium	1	0
amberlite cg 400	[no description available]	medium	1	0	methyl ester; organic heteropentacyclic compound; yohimban alkaloid
stallimycin	[no description available]	medium	1	0
domperidone	[no description available]	medium	2	0	benzimidazoles; heteroarylpiperidine	antiemetic; dopaminergic antagonist
glyphosate	[no description available]	medium	1	0	glycine derivative; phosphonic acid	agrochemical; EC 2.5.1.19 (3-phosphoshikimate 1-carboxyvinyltransferase) inhibitor; herbicide
batyl alcohol	[no description available]	medium	1	0	alkylglycerol
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
benzylsuccinic acid	[no description available]	medium	1	0	dicarboxylic acid	bacterial xenobiotic metabolite
mesoridazine	[no description available]	medium	1	0	phenothiazines; sulfoxide; tertiary amino compound	dopaminergic antagonist; first generation antipsychotic
penicillamine	[no description available]	medium	1	0	non-proteinogenic alpha-amino acid; thiol
phenolsulfonphthalein	[no description available]	medium	2	0	2,1-benzoxathiole; arenesulfonate ester; phenols; sultone	acid-base indicator; diagnostic agent; two-colour indicator
Picrotin, analytical standard	[no description available]	medium	1	0	furopyran
pomiferin	[no description available]	medium	1	0	isoflavanones
pridinol	[no description available]	medium	1	0	piperidines; tertiary alcohol	antiparkinson drug; muscle relaxant
sulfaquinoxaline	[no description available]	medium	1	0	benzenes; sulfonamide
4-methylglutamic acid	[no description available]	medium	1	0	amino dicarboxylic acid; glutamic acid derivative
santowhite powder	[no description available]	medium	1	0
fentichlor	[no description available]	medium	1	0	aryl sulfide; bridged diphenyl antifungal drug; monochlorobenzenes; polyphenol	antiinfective agent; drug allergen
pyrrolidonecarboxylic acid	[no description available]	medium	1	0	5-oxoproline; L-proline derivative; non-proteinogenic L-alpha-amino acid	algal metabolite
hexadecanolide	[no description available]	medium	1	0	macrolide
pamoic acid	[no description available]	medium	1	0	dicarboxylic acid
carzenide	[no description available]	medium	1	0	sulfonamide
estradiol 17 beta-cypionate	[no description available]	medium	1	0	steroid ester
lithocholic acid	[no description available]	medium	1	0	bile acid; C24-steroid; monohydroxy-5beta-cholanic acid	geroprotector; human metabolite; mouse metabolite
salicylurate	[no description available]	medium	1	0	N-acylglycine; secondary carboxamide	human xenobiotic metabolite; uremic toxin
3,5-pyridinedicarboxylic acid	[no description available]	medium	1	0	pyridinedicarboxylic acid
ricinine	[no description available]	medium	1	0	nitrile; pyridine alkaloid; pyridone
carinamide	[no description available]	medium	1	0
3,5-dibromotyrosine	[no description available]	medium	1	0	monocarboxylic acid
1H-indazol-3-amine	[no description available]	medium	1	0	indazoles
1,1'-methylenedi-2-naphthol	[no description available]	medium	1	0
tricarballylic acid	[no description available]	medium	1	0	tricarboxylic acid
popop	[no description available]	medium	1	0	1,3-oxazoles	fluorochrome
2-tert-butylhydroquinone	[no description available]	medium	1	0	hydroquinones	food antioxidant
7-hydroxychlorpromazine	[no description available]	medium	1	0	phenothiazines
cme-carbodiimide	[no description available]	medium	1	0
cyclacillin	[no description available]	medium	1	0	penicillin	antibacterial drug
strombine	[no description available]	medium	1	0
thymolphthalein	[no description available]	medium	2	0	terpene lactone
1,4,5,8-naphthalenetetracarboxylic acid	[no description available]	medium	1	0
(7S,9S)-7-[(4-amino-5-hydroxy-6-methyl-2-oxanyl)oxy]-6,9,11-trihydroxy-9-(2-hydroxy-1-oxoethyl)-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione	[no description available]	medium	1	0	anthracycline
hydroxyphenylazouracil	[no description available]	medium	1	0
pimonidazole	[no description available]	medium	1	0
flavone acetic acid	[no description available]	medium	1	0
trichlorophene	[no description available]	medium	1	0
verapamil hydrochloride	[no description available]	medium	2	0
4-aminomethylbenzoic acid	[no description available]	medium	1	0	benzoic acids
cedrol	[no description available]	medium	1	0	cedrane sesquiterpenoid; tertiary alcohol
propazole	[no description available]	medium	1	0	benzimidazoles
reserpic acid	[no description available]	medium	1	0	yohimban alkaloid
pifexole	[no description available]	medium	1	0
Diphenolic acid	[no description available]	medium	1	0	bisphenol
Melicopidine	[no description available]	medium	1	0	acridines
resorufin	[no description available]	medium	1	0	phenoxazine
pacein	[no description available]	medium	1	0
alantolactone	[no description available]	medium	1	0	naphthofuran; olefinic compound; sesquiterpene lactone	antineoplastic agent; apoptosis inducer; plant metabolite
2-(4'-methylpiperazino-1-methyl)-1,3-diazafluoranthene 1-oxide	[no description available]	medium	1	0
stictic acid	[no description available]	medium	1	0	aromatic ether
gallocyanine	[no description available]	medium	1	0
propylsulfonic acid	[no description available]	medium	1	0
1-cyclohexyl-3-(2-(4-morpholinyl)ethyl)carbodiimide	[no description available]	medium	1	0	carbodiimide; morpholines	cross-linking reagent
6,6'-dithiodinicotinic acid	[no description available]	medium	1	0
va 061	[no description available]	medium	1	0
n-acetyltyrosine, (dl)-isomer	[no description available]	medium	1	0	N-acetyl-amino acid; phenols; tyrosine derivative	human urinary metabolite
n(6)-(delta(2)-isopentenyl)adenine	[no description available]	medium	1	0	6-isopentenylaminopurine	cytokinin
2-Phthalimidoglutaricacid	[no description available]	medium	1	0	glutamic acid derivative
nsc-87877	[no description available]	medium	1	0
methyl lithocholate	[no description available]	medium	1	0
nipecotic acid amide	[no description available]	medium	2	0	piperidinecarboxamide
dimethacrine	[no description available]	medium	1	0	acridines
dehydroabietic acid	[no description available]	medium	1	0	abietane diterpenoid; carbotricyclic compound; monocarboxylic acid	allergen; metabolite
4-deoxypyridoxine 5'-phosphate	[no description available]	medium	1	0
4-(phenylthio)butanoic acid	[no description available]	medium	1	0
bis-a-tda	[no description available]	medium	1	0
1-amino-2-phenylethylphosphonic acid	[no description available]	medium	1	0
4-fluoro-alpha-hydroxybenzeneacetic acid	[no description available]	medium	1	0
Isopteropodin	[no description available]	medium	1	0	indolizines
benzpiperylone	[no description available]	medium	1	0	pyrazoles; ring assembly
carboxyamido-triazole	[no description available]	medium	1	0
nsc 607097	[no description available]	medium	1	0
pacifenol	[no description available]	medium	1	0
n-phenyliminodiacetic acid	[no description available]	medium	1	0
cystamine hydrochloride	[no description available]	medium	1	0
dipiperidinoethane-di-n-oxide	[no description available]	medium	1	0
benzyl-beta-d-xyloside	[no description available]	medium	1	0
2,2'-(3-methylcyclohexane-1,1-diyl)diacetic acid	[no description available]	medium	1	0	dicarboxylic acid
2,4-dinitrophenylacetic acid	[no description available]	medium	1	0
(5-Phenyl-1,2,4-triazol-3-yl)urea	[no description available]	medium	1	0	benzenes
fumagillol	[no description available]	medium	1	0	secondary alcohol; sesquiterpenoid; spiro-epoxide	antimicrobial agent
vacquinol-1	[no description available]	medium	1	0
guaiol	[no description available]	medium	1	0	guaiane sesquiterpenoid
benzatropine methanesulfonate	[no description available]	medium	2	0
pseudoyohimbine	[no description available]	medium	1	0	methyl 17-hydroxy-20xi-yohimban-16-carboxylate
gant58	[no description available]	medium	1	0	pyridines
nsc 88915	[no description available]	medium	1	0
o-acetylsolasodine	[no description available]	medium	1	0
viroallosecurinine	[no description available]	medium	1	0	indolizines
4-methyl-2-quinazolinamine	[no description available]	medium	1	0
1-amino-9,10-dioxo-4-(3-sulfamoylanilino)anthracene-2-sulfonic acid	[no description available]	medium	1	0
adamantoylcytarabine	[no description available]	medium	1	0
6,11-dioxo-12-naphtho[2,3-b]indolizinecarboxylic acid ethyl ester	[no description available]	medium	1	0	naphthalenes
LSM-1290	[no description available]	medium	1	0	benzazepine alkaloid; cyclic acetal
2-glycineamide-5-chlorophenyl-2-pyrryl ketone	[no description available]	medium	1	0
nsc 154020	[no description available]	medium	1	0	N-glycosyl compound
4-[(1-naphthalenylamino)-oxomethyl]benzene-1,3-dicarboxylic acid	[no description available]	medium	1	0	2-hydroxyisophthalic acid
2,2-bis(hydroxymethyl)-1-azabicyclo(2,2,2,)octan-3-one	[no description available]	medium	1	0	cyclic ketone; quinuclidines
5-(1,3-benzodioxol-5-yl)-N-(2,4-dimethylphenyl)-1,3,4-oxadiazol-2-amine	[no description available]	medium	1	0	benzodioxoles
croton factor f1	[no description available]	medium	1	0	phorbol ester; tertiary alpha-hydroxy ketone
medicarpin	[no description available]	medium	1	0	medicarpin	plant metabolite
aromoline	[no description available]	medium	1	0
nsc668394	[no description available]	medium	1	0
gant 61	[no description available]	medium	1	0	aminal; dialkylarylamine; pyridines; substituted aniline; tertiary amino compound	antineoplastic agent; apoptosis inducer; glioma-associated oncogene inhibitor; Hedgehog signaling pathway inhibitor
nortriptyline hydrochloride	[no description available]	medium	2	0	organic tricyclic compound	geroprotector
nsc 45641	[no description available]	medium	1	0
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
aconitic acid	[no description available]	medium	1	0	aconitic acid	fundamental metabolite
amygdalin	[no description available]	medium	1	0
alpha-phenylcinnamate	[no description available]	medium	1	0
curcumin	[no description available]	medium	7	0	aromatic ether; beta-diketone; diarylheptanoid; enone; polyphenol	anti-inflammatory agent; antifungal agent; antineoplastic agent; biological pigment; contraceptive drug; dye; EC 1.1.1.205 (IMP dehydrogenase) inhibitor; EC 1.1.1.21 (aldehyde reductase) inhibitor; EC 1.1.1.25 (shikimate dehydrogenase) inhibitor; EC 1.6.5.2 [NAD(P)H dehydrogenase (quinone)] inhibitor; EC 1.8.1.9 (thioredoxin reductase) inhibitor; EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor; EC 3.5.1.98 (histone deacetylase) inhibitor; flavouring agent; food colouring; geroprotector; hepatoprotective agent; immunomodulator; iron chelator; ligand; lipoxygenase inhibitor; metabolite; neuroprotective agent; nutraceutical; radical scavenger
ethyldimethylaminopropyl carbodiimide	[no description available]	medium	1	0
tamoxifen citrate	[no description available]	medium	1	0	citrate salt	angiogenesis inhibitor; anticoronaviral agent
eskazine	[no description available]	medium	2	0
nsc 336628	[no description available]	medium	1	0
1,3-dimethyl-8-[2-(1-pyrrolidinyl)ethylthio]-6-sulfanylidene-7H-purin-2-one	[no description available]	medium	1	0	oxopurine
cambinol	[no description available]	medium	1	0
nsc 117199	[no description available]	medium	1	0
mangostin	[no description available]	medium	1	0	aromatic ether; phenols; xanthones	antimicrobial agent; antineoplastic agent; antioxidant; plant metabolite
7,8-dimethylalloxazine	[no description available]	medium	1	0	7,8-dimethylbenzo[g]pteridine-2,4-dione	plant metabolite
dihydrothobainone	[no description available]	medium	1	0
piperic acid	[no description available]	medium	1	0	alpha,beta-unsaturated monocarboxylic acid; benzodioxoles	plant metabolite
abscisic acid	[no description available]	medium	1	0	abscisic acids
radicinin	[no description available]	medium	1	0	aromatic ketone
5,6-dichloro-1H-imidazo[4,5-b]pyrazine-2-carboxylic acid	[no description available]	medium	1	0	imidazopyrazine
hispanolone	[no description available]	medium	1	0
veratridine	[no description available]	medium	1	0
zimelidine hydrochloride	[no description available]	medium	1	0
chlortetracycline hydrochloride	[no description available]	medium	1	0
viridicatumtoxin	[no description available]	medium	1	0
hematein	[no description available]	medium	1	0
gamma-aminobutyric acid	[no description available]	medium	1	0	amino acid zwitterion; gamma-amino acid; monocarboxylic acid	human metabolite; neurotransmitter; Saccharomyces cerevisiae metabolite; signalling molecule
9-xylosyladenine	[no description available]	medium	1	0	purine nucleoside
coumarin	[no description available]	medium	4	0	coumarins	fluorescent dye; human metabolite; plant metabolite
malic acid	[no description available]	medium	1	0	2-hydroxydicarboxylic acid; C4-dicarboxylic acid	food acidity regulator; fundamental metabolite
phosphonoacetic acid	[no description available]	medium	1	0	monocarboxylic acid; phosphonic acids	antiviral agent; EC 2.7.7.7 (DNA-directed DNA polymerase) inhibitor
histamine	[no description available]	medium	7	0	aralkylamino compound; imidazoles	human metabolite; mouse metabolite; neurotransmitter
naringenin	[no description available]	medium	1	0	4'-hydroxyflavanones; trihydroxyflavanone
pyrazinoic acid	[no description available]	medium	1	0	pyrazinecarboxylic acid	antitubercular agent; drug metabolite
1,10-phenanthroline	[no description available]	medium	1	0	phenanthroline	EC 2.7.1.1 (hexokinase) inhibitor; EC 3.4.19.3 (pyroglutamyl-peptidase I) inhibitor
1,3-dipropyl-8-cyclopentylxanthine	[no description available]	medium	1	0	oxopurine	adenosine A1 receptor antagonist; EC 3.1.4.* (phosphoric diester hydrolase) inhibitor
2,2'-dipyridyl	[no description available]	medium	1	0	bipyridine	chelator; ferroptosis inhibitor
ro 5-4864	[no description available]	medium	1	0
4-aminopyridine	[no description available]	medium	1	0	aminopyridine; aromatic amine	avicide; orphan drug; potassium channel blocker
5,8,11,14-eicosatetraynoic acid	[no description available]	medium	1	0	long-chain fatty acid
5-fluoroindole-2-carboxylic acid	[no description available]	medium	1	0	indolyl carboxylic acid
etofylline	[no description available]	medium	1	0	oxopurine
7-nitroindazole	[no description available]	medium	1	0
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
acetarsol	[no description available]	medium	1	0	acetamides; anilide
altretamine	[no description available]	medium	1	0	triamino-1,3,5-triazine
amoxapine	[no description available]	medium	1	0	dibenzooxazepine	adrenergic uptake inhibitor; antidepressant; dopaminergic antagonist; geroprotector; serotonin uptake inhibitor
aniracetam	[no description available]	medium	1	0	N-acylpyrrolidine; pyrrolidin-2-ones
anisindione	[no description available]	medium	1	0	aromatic ketone; beta-diketone	anticoagulant; vitamin K antagonist
astemizole	[no description available]	medium	1	0	benzimidazoles; piperidines	anti-allergic agent; anticoronaviral agent; H1-receptor antagonist
azelaic acid	[no description available]	medium	1	0	alpha,omega-dicarboxylic acid; dicarboxylic fatty acid	antibacterial agent; antineoplastic agent; dermatologic drug; plant metabolite
bay-k-8644	[no description available]	medium	1	0	(trifluoromethyl)benzenes; C-nitro compound; dihydropyridine; methyl ester
bendroflumethiazide	[no description available]	medium	1	0	benzothiadiazine; sulfonamide	antihypertensive agent; diuretic
benzothiazide	[no description available]	medium	1	0	benzothiadiazine; sulfonamide	antihypertensive agent; diuretic
bisacodyl	[no description available]	medium	1	0	diarylmethane
brimonidine	[no description available]	medium	1	0	imidazoles; quinoxaline derivative; secondary amine	adrenergic agonist; alpha-adrenergic agonist; antihypertensive agent
bufexamac	[no description available]	medium	1	0	aromatic ether; hydroxamic acid	antipyretic; non-narcotic analgesic; non-steroidal anti-inflammatory drug
butacaine	[no description available]	medium	1	0	benzoate ester
butamben	[no description available]	medium	1	0	amino acid ester; benzoate ester; primary amino compound; substituted aniline	local anaesthetic
chlorthalidone	[no description available]	medium	1	0	isoindoles; monochlorobenzenes; sulfonamide
cilostazol	[no description available]	medium	1	0	lactam; tetrazoles	anticoagulant; bronchodilator agent; EC 3.1.4.17 (3',5'-cyclic-nucleotide phosphodiesterase) inhibitor; fibrin modulating drug; neuroprotective agent; platelet aggregation inhibitor; vasodilator agent
4-chloro-N-(2,6-dimethyl-1-piperidinyl)-3-sulfamoylbenzamide	[no description available]	medium	1	0	sulfonamide
deferiprone	[no description available]	medium	1	0	4-pyridones	iron chelator; protective agent
dibucaine	[no description available]	medium	1	0	aromatic ether; monocarboxylic acid amide; tertiary amino compound	topical anaesthetic
dichlorophen	[no description available]	medium	1	0	bridged diphenyl fungicide; diarylmethane
dipropizine	[no description available]	medium	1	0	piperazines
dyphylline	[no description available]	medium	1	0	oxopurine; propane-1,2-diols	bronchodilator agent; EC 3.1.4.* (phosphoric diester hydrolase) inhibitor; muscle relaxant; vasodilator agent
ebselen	[no description available]	medium	1	0	benzoselenazole	anti-inflammatory drug; antibacterial agent; anticoronaviral agent; antifungal agent; antineoplastic agent; antioxidant; apoptosis inducer; EC 1.13.11.33 (arachidonate 15-lipoxygenase) inhibitor; EC 1.13.11.34 (arachidonate 5-lipoxygenase) inhibitor; EC 1.3.1.8 [acyl-CoA dehydrogenase (NADP(+))] inhibitor; EC 1.8.1.12 (trypanothione-disulfide reductase) inhibitor; EC 2.5.1.7 (UDP-N-acetylglucosamine 1-carboxyvinyltransferase) inhibitor; EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor; EC 3.1.3.25 (inositol-phosphate phosphatase) inhibitor; EC 3.4.22.69 (SARS coronavirus main proteinase) inhibitor; EC 3.5.4.1 (cytosine deaminase) inhibitor; EC 5.1.3.2 (UDP-glucose 4-epimerase) inhibitor; enzyme mimic; ferroptosis inhibitor; genotoxin; hepatoprotective agent; neuroprotective agent; radical scavenger
epirizole	[no description available]	medium	1	0	aromatic ether
myambutol	[no description available]	medium	1	0	amino alcohol
4-biphenylylacetic acid	[no description available]	medium	1	0	biphenyls; monocarboxylic acid	non-steroidal anti-inflammatory drug
fenbufen	[no description available]	medium	1	0	4-oxo monocarboxylic acid; biphenyls	non-steroidal anti-inflammatory drug
flumequine	[no description available]	medium	1	0	3-oxo monocarboxylic acid; organofluorine compound; pyridoquinoline; quinolone antibiotic
glipizide	[no description available]	medium	1	0	aromatic amide; monocarboxylic acid amide; N-sulfonylurea; pyrazines	EC 2.7.1.33 (pantothenate kinase) inhibitor; hypoglycemic agent; insulin secretagogue
fluorometholone	[no description available]	medium	1	0
1-(5-isoquinolinesulfonyl)-2-methylpiperazine	[no description available]	medium	1	0	isoquinolines; N-sulfonylpiperazine	EC 2.7.11.13 (protein kinase C) inhibitor
harmaline	[no description available]	medium	1	0	harmala alkaloid	oneirogen
hexamethylene bisacetamide	[no description available]	medium	1	0	acetamides
hycanthone	[no description available]	medium	1	0	thioxanthenes	mutagen; schistosomicide drug
hydroflumethiazide	[no description available]	medium	1	0	benzothiadiazine; thiazide	antihypertensive agent; diuretic
indoprofen	[no description available]	medium	1	0	gamma-lactam; isoindoles; monocarboxylic acid	EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor; non-narcotic analgesic; non-steroidal anti-inflammatory drug
ipriflavone	[no description available]	medium	1	0	aromatic ether; isoflavones	bone density conservation agent
ly 171883	[no description available]	medium	1	0	acetophenones; aromatic ether; phenols; tetrazoles	anti-asthmatic drug; leukotriene antagonist
edaravone	[no description available]	medium	1	0	pyrazolone	antioxidant; radical scavenger
meclofenamate sodium anhydrous	[no description available]	medium	1	0	organic sodium salt
methazolamide	[no description available]	medium	1	0	sulfonamide; thiadiazoles
methocarbamol	[no description available]	medium	1	0	aromatic ether; carbamate ester; secondary alcohol
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
cm 7116	[no description available]	medium	1	0	benzodiazepine
ofloxacin	[no description available]	medium	1	0	3-oxo monocarboxylic acid; N-arylpiperazine; N-methylpiperazine; organofluorine compound; oxazinoquinoline
phenindione	[no description available]	medium	1	0	aromatic ketone; beta-diketone	anticoagulant
4-phenylbutyric acid	[no description available]	medium	1	0	monocarboxylic acid	antineoplastic agent; apoptosis inducer; EC 3.5.1.98 (histone deacetylase) inhibitor; prodrug
piracetam	[no description available]	medium	1	0	organonitrogen compound; organooxygen compound
pirenperone	[no description available]	medium	1	0	aromatic ketone
proxyphylline	[no description available]	medium	1	0	oxopurine
pf 5901	[no description available]	medium	1	0	quinolines
ritanserin	[no description available]	medium	1	0	organofluorine compound; piperidines; thiazolopyrimidine	antidepressant; antipsychotic agent; anxiolytic drug; dopaminergic antagonist; EC 3.4.21.26 (prolyl oligopeptidase) inhibitor; serotonergic antagonist
rolipram	[no description available]	medium	1	0	pyrrolidin-2-ones	antidepressant; EC 3.1.4.* (phosphoric diester hydrolase) inhibitor
ronidazole	[no description available]	medium	1	0	C-nitro compound; carbamate ester; imidazoles	antiparasitic agent; antiprotozoal drug
spiperone	[no description available]	medium	1	0	aromatic ketone; azaspiro compound; organofluorine compound; piperidines; tertiary amino compound	alpha-adrenergic antagonist; antipsychotic agent; dopaminergic antagonist; psychotropic drug; serotonergic antagonist
aldactazide	[no description available]	medium	1	0	steroid lactone
sulfabenzamide	[no description available]	medium	1	0	benzenes; sulfonamide antibiotic; sulfonamide	antibacterial drug; antimicrobial drug
sulfacetamide	[no description available]	medium	2	0	N-sulfonylcarboxamide; substituted aniline	antibacterial drug; antiinfective agent; antimicrobial agent; EC 2.5.1.15 (dihydropteroate synthase) inhibitor
sulfamethoxypyridazine	[no description available]	medium	2	0	pyridazines; sulfonamide antibiotic; sulfonamide	antiinfective agent; drug allergen; EC 2.5.1.15 (dihydropteroate synthase) inhibitor
terazosin	[no description available]	medium	1	0	furans; piperazines; primary amino compound; quinazolines	alpha-adrenergic antagonist; antihypertensive agent; antineoplastic agent
tolnaftate	[no description available]	medium	1	0	monothiocarbamic ester	antifungal drug
trapidil	[no description available]	medium	1	0	triazolopyrimidines
trichlormethiazide	[no description available]	medium	1	0	benzothiadiazine; sulfonamide antibiotic	antihypertensive agent; diuretic
tyramine	[no description available]	medium	1	0	monoamine molecular messenger; primary amino compound; tyramines	EC 3.1.1.8 (cholinesterase) inhibitor; Escherichia coli metabolite; human metabolite; mouse metabolite; neurotransmitter
vesamicol	[no description available]	medium	1	0	piperidines
xylazine	[no description available]	medium	1	0	1,3-thiazine; methylbenzene; secondary amino compound	alpha-adrenergic agonist; analgesic; emetic; muscle relaxant; sedative
zopiclone	[no description available]	medium	1	0	monochloropyridine; pyrrolopyrazine	central nervous system depressant; sedative
oxyphenonium bromide	[no description available]	medium	1	0
corticosterone	[no description available]	medium	1	0	11beta-hydroxy steroid; 20-oxo steroid; 21-hydroxy steroid; 3-oxo-Delta(4) steroid; C21-steroid; glucocorticoid; primary alpha-hydroxy ketone	human metabolite; mouse metabolite
neostigmine methylsulfate	[no description available]	medium	1	0	arylammonium sulfate salt	EC 3.1.1.8 (cholinesterase) inhibitor
prednisolone acetate	[no description available]	medium	1	0	corticosteroid hormone
androsterone	[no description available]	medium	1	0	17-oxo steroid; 3alpha-hydroxy steroid; androstanoid; C19-steroid	androgen; anticonvulsant; human blood serum metabolite; human metabolite; human urinary metabolite; mouse metabolite; pheromone
promazine hydrochloride	[no description available]	medium	1	0	hydrochloride
azauridine	[no description available]	medium	1	0	N-glycosyl-1,2,4-triazine	antimetabolite; antineoplastic agent; drug metabolite
dimethylphenylpiperazinium iodide	[no description available]	medium	1	0	N-arylpiperazine; organic iodide salt; piperazinium salt; quaternary ammonium salt	nicotinic acetylcholine receptor agonist
desoxycorticosterone acetate	[no description available]	medium	1	0	corticosteroid hormone
benzyltrimethylammonium chloride	[no description available]	medium	1	0
promethazine hydrochloride	[no description available]	medium	1	0	hydrochloride	anti-allergic agent; anticoronaviral agent; antiemetic; antipruritic drug; geroprotector; H1-receptor antagonist; local anaesthetic; sedative
tolazoline hydrochloride	[no description available]	medium	1	0	benzenes
acetylcholine chloride	[no description available]	medium	1	0	quaternary ammonium salt
methoxamine hydrochloride	[no description available]	medium	1	0	dimethoxybenzene
bretylium tosylate	[no description available]	medium	1	0	organosulfonate salt; quaternary ammonium salt	adrenergic antagonist; anti-arrhythmia drug; antihypertensive agent
methacholine chloride	[no description available]	medium	1	0	quaternary ammonium salt
desoxycorticosterone	[no description available]	medium	1	0	20-oxo steroid; 21-hydroxy steroid; 3-oxo-Delta(4) steroid; mineralocorticoid; primary alpha-hydroxy ketone	human metabolite; mouse metabolite
fluocinolone acetonide	[no description available]	medium	9	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
fluocinolone acetonide	[no description available]	medium	9	3	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
17-alpha-hydroxyprogesterone	[no description available]	medium	1	0	17alpha-hydroxy-C21-steroid; 17alpha-hydroxy steroid; tertiary alpha-hydroxy ketone	human metabolite; metabolite; mouse metabolite; progestin
chlorpromazine hydrochloride	[no description available]	medium	1	0	hydrochloride; phenothiazines	anticoronaviral agent; phenothiazine antipsychotic drug
cytarabine hydrochloride	[no description available]	medium	1	0
trifluridine	[no description available]	medium	1	0	nucleoside analogue; organofluorine compound; pyrimidine 2'-deoxyribonucleoside	antimetabolite; antineoplastic agent; antiviral drug; EC 2.1.1.45 (thymidylate synthase) inhibitor
4-hydroxypropiophenone	[no description available]	medium	1	0	acetophenones
isopropamide iodide	[no description available]	medium	1	0	diarylmethane
lidocaine hydrochloride	[no description available]	medium	1	0	hydrochloride	anti-arrhythmia drug; local anaesthetic
9,10-phenanthrenequinone	[no description available]	medium	1	0	phenanthrenes
phenothiazine	[no description available]	medium	3	0	phenothiazine	ferroptosis inhibitor; plant metabolite; radical scavenger
mecoprop	[no description available]	medium	1	0	aromatic ether; monocarboxylic acid; monochlorobenzenes
2-methyl-4-chlorophenoxyacetic acid	[no description available]	medium	1	0	chlorophenoxyacetic acid; monochlorobenzenes	environmental contaminant; phenoxy herbicide; synthetic auxin
arsanilic acid	[no description available]	medium	1	0	organoarsonic acid
3-aminobenzoic acid	[no description available]	medium	1	0	aminobenzoic acid
pyridostigmine bromide	[no description available]	medium	1	0	pyridinium salt
thiodipropionic acid	[no description available]	medium	1	0	dicarboxylic acid
imipramine hydrochloride	[no description available]	medium	1	0	hydrochloride	antidepressant
edrophonium chloride	[no description available]	medium	1	0	chloride salt; quaternary ammonium salt	antidote; diagnostic agent; EC 3.1.1.8 (cholinesterase) inhibitor
maltol	[no description available]	medium	1	0	4-pyranones	metabolite
methapyrilene hydrochloride	[no description available]	medium	1	0	hydrochloride	anti-allergic agent; carcinogenic agent; H1-receptor antagonist; sedative
phenazopyridine hydrochloride	[no description available]	medium	1	0	hydrochloride	carcinogenic agent; local anaesthetic; non-narcotic analgesic
tetrracaine hydrochloride	[no description available]	medium	1	0	benzoate ester
protocatechualdehyde	[no description available]	medium	1	0	dihydroxybenzaldehyde
20-alpha-dihydroprogesterone	[no description available]	medium	1	0	20-hydroxypregn-4-en-3-one	human metabolite; mouse metabolite
2-chloroadenosine	[no description available]	medium	1	0	purine nucleoside
diphenhydramine hydrochloride	[no description available]	medium	1	0	hydrochloride; organoammonium salt	anti-allergic agent; antiemetic; antiparkinson drug; antipruritic drug; H1-receptor antagonist; local anaesthetic; muscarinic antagonist; sedative
tripelennamine hydrochloride	[no description available]	medium	1	0
propantheline bromide	[no description available]	medium	1	0	xanthenes
ethamivan	[no description available]	medium	1	0	methoxybenzenes; phenols
pargyline hydrochloride	[no description available]	medium	1	0
orphenadrine hydrochloride	[no description available]	medium	1	0	hydrochloride	antiparkinson drug; H1-receptor antagonist; muscarinic antagonist; muscle relaxant; NMDA receptor antagonist; parasympatholytic
fluocinonide	[no description available]	medium	1	0	organic molecular entity
fluorometholone	[no description available]	medium	1	0	11beta-hydroxy steroid; 17alpha-hydroxy steroid; 20-oxo steroid; 3-oxo-Delta(1),Delta(4)-steroid; fluorinated steroid; glucocorticoid; tertiary alpha-hydroxy ketone	anti-inflammatory drug
xanthinol niacinate	[no description available]	medium	1	0
medroxyprogesterone	[no description available]	medium	1	0	17alpha-hydroxy steroid; 20-oxo steroid; 3-oxo-Delta(4) steroid; tertiary alpha-hydroxy ketone	contraceptive drug; progestin; synthetic oral contraceptive
tetrahydrozoline hydrochloride	[no description available]	medium	1	0	hydrochloride	nasal decongestant; sympathomimetic agent; vasoconstrictor agent
1,2-naphthoquinone	[no description available]	medium	1	0	1,2-naphthoquinones	aryl hydrocarbon receptor agonist; carcinogenic agent
amitriptyline hydrochloride	[no description available]	medium	1	0	organic tricyclic compound
naphazoline hydrochloride	[no description available]	medium	1	0	organic molecular entity
4,4'-bipyridyl	[no description available]	medium	1	0	bipyridine
doxylamine succinate	[no description available]	medium	1	0	organic molecular entity
monoacetyldapsone	[no description available]	medium	1	0	acetamides; anilide; secondary carboxamide; sulfone
formestane	[no description available]	medium	1	0	17-oxo steroid; 3-oxo-Delta(4) steroid; enol; hydroxy steroid	antineoplastic agent; EC 1.14.14.14 (aromatase) inhibitor
chlorotrianisene	[no description available]	medium	1	0	chloroalkene	antineoplastic agent; estrogen receptor modulator; xenoestrogen
aminacrine	[no description available]	medium	1	0
isoxsuprine hydrochloride	[no description available]	medium	1	0	alkylbenzene
bethanechol chloride	[no description available]	medium	1	0	carbamate ester; chloride salt; quaternary ammonium salt	muscarinic agonist
2-hydroxyacetanilide	[no description available]	medium	1	0	acetamides; phenols	anti-inflammatory agent; antineoplastic agent; antirheumatic drug; apoptosis inducer; platelet aggregation inhibitor; xenobiotic metabolite
clopamide	[no description available]	medium	1	0	sulfonamide
phosmet	[no description available]	medium	1	0	organic thiophosphate; organothiophosphate insecticide; phthalimides	acaricide; agrochemical; EC 3.1.1.7 (acetylcholinesterase) inhibitor
levonorgestrel	[no description available]	medium	2	0	17beta-hydroxy steroid; 3-oxo-Delta(4) steroid; terminal acetylenic compound	contraceptive drug; female contraceptive drug; progestin; synthetic oral contraceptive
malononitrile dimer	[no description available]	medium	1	0
diphenyl disulfide	[no description available]	medium	1	0	benzenes
cyproheptadine hydrochloride (anhydrous)	[no description available]	medium	1	0	hydrochloride
tetramethylpyrazine	[no description available]	medium	1	0	alkaloid; pyrazines	antineoplastic agent; apoptosis inhibitor; bacterial metabolite; neuroprotective agent; platelet aggregation inhibitor; vasodilator agent
2,2'-dipyridylamine	[no description available]	medium	1	0
pregnenolone carbonitrile	[no description available]	medium	1	0	aliphatic nitrile
flurandrenolone	[no description available]	medium	4	0	21-hydroxy steroid
diethylcarbamazine citrate	[no description available]	medium	1	0	piperazinecarboxamide
azacyclonol	[no description available]	medium	1	0	diarylmethane
5 alpha-androstane-3 alpha,17 beta-diol	[no description available]	medium	1	0	androstane-3alpha,17beta-diol	Daphnia magna metabolite; human metabolite
guaiacoxyacetic acid	[no description available]	medium	1	0
methylene diphosphonate	[no description available]	medium	1	0	1,1-bis(phosphonic acid)	bone density conservation agent; chelator
amiloride hydrochloride, anhydrous	[no description available]	medium	1	0	hydrochloride	diuretic; sodium channel blocker
flumethasone	[no description available]	medium	1	0	11beta-hydroxy steroid; 17alpha-hydroxy steroid; 20-oxo steroid; 21-hydroxy steroid; 3-oxo-Delta(1),Delta(4)-steroid; fluorinated steroid; glucocorticoid; primary alpha-hydroxy ketone; tertiary alpha-hydroxy ketone	anti-inflammatory drug
azaribine	[no description available]	medium	1	0	acetate ester; N-glycosyl-1,2,4-triazine	antipsoriatic; prodrug
hydrocortisone hemisuccinate	[no description available]	medium	1	0	dicarboxylic acid monoester; hemisuccinate; tertiary alpha-hydroxy ketone
antazoline hydrochloride	[no description available]	medium	1	0
mebeverine hydrochloride	[no description available]	medium	1	0
clidinium bromide	[no description available]	medium	1	0
diloxanide furoate	[no description available]	medium	1	0	carboxylic ester; furans; organochlorine compound; tertiary carboxamide	antiamoebic agent; prodrug
nitroxoline	[no description available]	medium	1	0	C-nitro compound; monohydroxyquinoline	antifungal agent; antiinfective agent; antimicrobial agent; renal agent
beclomethasone	[no description available]	medium	1	0	11beta-hydroxy steroid; 17alpha-hydroxy steroid; 20-oxo steroid; 21-hydroxy steroid; 3-oxo-Delta(1),Delta(4)-steroid; chlorinated steroid; corticosteroid; glucocorticoid; primary alpha-hydroxy ketone; tertiary alpha-hydroxy ketone	anti-asthmatic drug; anti-inflammatory drug
alverine citrate	[no description available]	medium	1	0	citrate salt; organoammonium salt	antispasmodic drug; cholinergic antagonist
cyclogyl	[no description available]	medium	1	0
metoclopramide hydrochloride	[no description available]	medium	1	0
isoetharine mesylate	[no description available]	medium	1	0
6-nitroindazole	[no description available]	medium	1	0
hydrocortisone-17-butyrate	[no description available]	medium	1	0	butyrate ester; cortisol ester; primary alpha-hydroxy ketone	dermatologic drug; drug allergen
benserazide hydrochloride	[no description available]	medium	1	0	hydrochloride	antiparkinson drug; dopaminergic agent; EC 4.1.1.28 (aromatic-L-amino-acid decarboxylase) inhibitor
pentamethylmelamine	[no description available]	medium	1	0
eedq	[no description available]	medium	1	0
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
tetridamin	[no description available]	medium	1	0
metergoline	[no description available]	medium	1	0	carbamate ester; ergoline alkaloid	dopamine agonist; geroprotector; serotonergic antagonist
capobenic acid	[no description available]	medium	1	0	benzamides
clobetasol propionate	[no description available]	medium	1	0	11beta-hydroxy steroid; 20-oxo steroid; 3-oxo-Delta(1),Delta(4)-steroid; chlorinated steroid; fluorinated steroid; glucocorticoid	anti-inflammatory drug
frentizole	[no description available]	medium	1	0
eterobarb	[no description available]	medium	1	0	barbiturates
moricizine hydrochloride	[no description available]	medium	1	0	hydrochloride	anti-arrhythmia drug
proroxan hydrochloride	[no description available]	medium	1	0
etomidate	[no description available]	medium	1	0	imidazoles
buspirone hydrochloride	[no description available]	medium	1	0	hydrochloride	anxiolytic drug; EC 3.4.21.26 (prolyl oligopeptidase) inhibitor; sedative; serotonergic agonist
propafenone hydrochloride	[no description available]	medium	1	0	hydrochloride	anti-arrhythmia drug
picobenzide	[no description available]	medium	1	0
flecainide acetate	[no description available]	medium	1	0	acetate salt	anti-arrhythmia drug
nicardipine hydrochloride	[no description available]	medium	1	0	dihydropyridine	geroprotector
triadimenol	[no description available]	medium	1	0	aromatic ether; conazole fungicide; hemiaminal ether; monochlorobenzenes; secondary alcohol; triazole fungicide	antifungal agrochemical; EC 1.14.13.70 (sterol 14alpha-demethylase) inhibitor; xenobiotic metabolite
terazosin hydrochloride anhydrous	[no description available]	medium	1	0
pergolide mesylate	[no description available]	medium	1	0	methanesulfonate salt	antiparkinson drug; dopamine agonist; geroprotector
cerm-1978	[no description available]	medium	1	0	hydrochloride
dazoxiben hydrochloride	[no description available]	medium	1	0
tobramycin sulfate	[no description available]	medium	1	0
benzylaminopurine	[no description available]	medium	1	0	6-aminopurines	cytokinin; plant metabolite
fluoxetine hydrochloride	[no description available]	medium	1	0	hydrochloride; N-methyl-3-phenyl-3-[4-(trifluoromethyl)phenoxy]propan-1-amine
diltiazem hydrochloride	[no description available]	medium	1	0	hydrochloride	antihypertensive agent; calcium channel blocker; vasodilator agent
trazodone hydrochloride	[no description available]	medium	1	0	hydrochloride	adrenergic antagonist; antidepressant; H1-receptor antagonist; sedative; serotonin uptake inhibitor
doxazosin mesylate	[no description available]	medium	1	0	methanesulfonate salt	geroprotector
amantadine hydrochloride	[no description available]	medium	1	0	hydrochloride	antiviral agent; dopamine agonist; NMDA receptor antagonist
desipramine hydrochloride	[no description available]	medium	1	0	hydrochloride	drug allergen
ticlopidine hydrochloride	[no description available]	medium	1	0	hydrochloride
dopamine hydrochloride	[no description available]	medium	1	0	catecholamine
sulconazole, mononitrate, (+-)-isomer	[no description available]	medium	1	0	conazole antifungal drug; imidazole antifungal drug; organic nitrate salt
acetylcholine bromide	[no description available]	medium	1	0	bromide salt; quaternary ammonium salt
tryptamide	[no description available]	medium	1	0
trihexyphenidyl hydrochloride	[no description available]	medium	1	0	aralkylamine
oxyphencyclimine hydrochloride	[no description available]	medium	1	0	pyrimidines
thioridazine hydrochloride	[no description available]	medium	1	0	hydrochloride	first generation antipsychotic; geroprotector
diphenylpyraline hydrochloride	[no description available]	medium	1	0	hydrochloride	cholinergic antagonist; H1-receptor antagonist
procainamide hydrochloride	[no description available]	medium	1	0	hydrochloride	anti-arrhythmia drug
siquil	[no description available]	medium	1	0	hydrochloride	anticoronaviral agent
mepivacaine hydrochloride	[no description available]	medium	1	0	hydrochloride; piperidinecarboxamide	local anaesthetic
oxymetazoline hydrochloride	[no description available]	medium	1	0	hydrochloride	alpha-adrenergic agonist; nasal decongestant; sympathomimetic agent; vasoconstrictor agent
diphenidol hydrochloride	[no description available]	medium	1	0	diarylmethane
alprenolol hydrochloride	[no description available]	medium	1	0	hydrochloride
edoxudin	[no description available]	medium	1	0	pyrimidine 2'-deoxyribonucleoside
6-ketoestradiol	[no description available]	medium	1	0
17 beta-estradiol hemisuccinate	[no description available]	medium	1	0
amizyl	[no description available]	medium	1	0
salicylhydroxamic acid	[no description available]	medium	1	0	hydroxamic acid; phenols	antibacterial drug; EC 1.11.2.2 (myeloperoxidase) inhibitor; EC 3.5.1.5 (urease) inhibitor; trypanocidal drug
1,7-phenanthroline	[no description available]	medium	1	0	phenanthroline
3-fluoro-4-hydroxyphenylacetic acid	[no description available]	medium	1	0
dyclonine hydrochloride	[no description available]	medium	1	0	hydrochloride	topical anaesthetic
clomipramine hydrochloride	[no description available]	medium	1	0	hydrochloride	anticoronaviral agent; antidepressant; serotonergic antagonist; serotonergic drug
prazosin hydrochloride	[no description available]	medium	1	0	hydrochloride
mianserin hydrochloride	[no description available]	medium	1	0	hydrochloride	geroprotector
miconazole nitrate	[no description available]	medium	1	0
econazole nitrate	[no description available]	medium	1	0
2,4-dimethoxybenzaldehyde	[no description available]	medium	1	0
enrofloxacin	[no description available]	medium	1	0	cyclopropanes; N-alkylpiperazine; N-arylpiperazine; organofluorine compound; quinolinemonocarboxylic acid; quinolone	antibacterial agent; antimicrobial agent; antineoplastic agent
clobetasone butyrate	[no description available]	medium	1	0	organic molecular entity
loxapine succinate	[no description available]	medium	1	0	succinate salt	geroprotector
guanfacine hydrochloride	[no description available]	medium	1	0	acetamides	geroprotector
labetalol hydrochloride	[no description available]	medium	1	0	salicylamides
diflorasone diacetate	[no description available]	medium	1	0	11beta-hydroxy steroid; 20-oxo steroid; 3-oxo-Delta(1),Delta(4)-steroid; acetate ester; fluorinated steroid; glucocorticoid	anti-inflammatory drug; antipruritic drug
acecainide hydrochloride	[no description available]	medium	1	0
loperamide hydrochloride	[no description available]	medium	1	0	hydrochloride	anticoronaviral agent; antidiarrhoeal drug; mu-opioid receptor agonist
maprotiline hydrochloride	[no description available]	medium	1	0	anthracenes
hydroxyzine dihydrochloride	[no description available]	medium	1	0
betamipron	[no description available]	medium	1	0	organonitrogen compound; organooxygen compound
secnidazole	[no description available]	medium	1	0	C-nitro compound; imidazoles; secondary alcohol	epitope
ergocornine	[no description available]	medium	1	0	ergot alkaloid
pramoxine hydrochloride	[no description available]	medium	1	0	aromatic ether
butyrylcholine chloride	[no description available]	medium	1	0
1-benzylimidazole	[no description available]	medium	1	0
chloropyramine hydrochloride	[no description available]	medium	1	0
6-aminoindazole	[no description available]	medium	1	0	indazoles
5-aminoindazole	[no description available]	medium	1	0
phentolamine mesylate	[no description available]	medium	1	0
oxybutynin hydrochloride	[no description available]	medium	1	0	hydrochloride
2-methylhippuric acid	[no description available]	medium	1	0	N-acylglycine	metabolite
prilocaine hydrochloride	[no description available]	medium	1	0	hydrochloride	local anaesthetic
meclizine hydrochloride	[no description available]	medium	1	0
11-hydroxyprogesterone, (11alpha)-isomer	[no description available]	medium	1	0	11alpha-hydroxy steroid; 20-oxo steroid; 3-oxo-Delta(4) steroid
malic acid, (r)-isomer	[no description available]	medium	1	0	malic acid
21-deoxycortisol	[no description available]	medium	1	0	11beta-hydroxy steroid; 17alpha-hydroxy-C21-steroid; deoxycortisol; tertiary alpha-hydroxy ketone	human blood serum metabolite; mouse metabolite
estrone 3-methyl ether	[no description available]	medium	1	0
e-250	[no description available]	medium	1	0
rac-glycerol 1-monodecanoate	[no description available]	medium	1	0	rac-1-monoacylglycerol
levcromakalim	[no description available]	medium	1	0	1-benzopyran
tachistin	[no description available]	medium	1	0
cortisol octanoate	[no description available]	medium	1	0	corticosteroid hormone
armepavine	[no description available]	medium	1	0
n(6)-phenyladenosine	[no description available]	medium	1	0	purine nucleoside
mizoribine	[no description available]	medium	1	0	imidazoles	anticoronaviral agent
alphaxalone	[no description available]	medium	1	0	corticosteroid hormone
bicuculline methiodide	[no description available]	medium	1	0
beta-carboline-3-carboxylic acid ethyl ester	[no description available]	medium	1	0	beta-carbolines
gamma-fagarine	[no description available]	medium	1	0	organic heterotricyclic compound; organonitrogen heterocyclic compound; oxacycle
betaxolol hydrochloride	[no description available]	medium	1	0	hydrochloride	antihypertensive agent; beta-adrenergic antagonist
Zearalanone	[no description available]	medium	1	0	macrolide; resorcinols
butethamate citrate	[no description available]	medium	1	0
4-(4-(4-chlorophenyl)-4-hydroxy-1-piperidinyl)-1-(4-fluorophenyl)-1-butanol	[no description available]	medium	1	0	piperidines
gallopamil hydrochloride	[no description available]	medium	1	0
1,3-dimethylbenzimidazoline-2-thione	[no description available]	medium	1	0
desloratadine	[no description available]	medium	1	0	benzocycloheptapyridine	anti-allergic agent; cholinergic antagonist; drug metabolite; H1-receptor antagonist
3,4-dichloro-n-methyl-n-(2-(1-pyrrolidinyl)cyclohexyl)-benzeneacetamide, (trans)-(+-)-isomer	[no description available]	medium	1	0
dichloro-1,2-diaminocyclohexane platinum complex	[no description available]	medium	1	0
1,4-di(2'-thienyl)-1,4-butadione	[no description available]	medium	1	0
idazoxan hydrochloride	[no description available]	medium	1	0
methyl 5-aminolevulinate hydrochloride	[no description available]	medium	1	0	hydrochloride	antineoplastic agent; dermatologic drug; photosensitizing agent; prodrug
antazoline phosphate	[no description available]	medium	1	0
pridinol mesylate	[no description available]	medium	1	0
17 alpha-hydroxyprogesterone caproate	[no description available]	medium	1	0	corticosteroid hormone
5-fluorotryptamine monohydrochloride	[no description available]	medium	1	0
piribedil mesylate	[no description available]	medium	1	0
serc	[no description available]	medium	1	0
procyclidine hydrochloride	[no description available]	medium	1	0	hydrochloride
(7R)-7,15,17-trihydroxy-11-methyl-12-oxabicyclo[12.4.0]octadeca-1(14),15,17-trien-13-one	[no description available]	medium	1	0	macrolide
cortisone	[no description available]	medium	17	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
equilin	[no description available]	medium	1	0	17-oxo steroid; 3-hydroxy steroid
adrenosterone	[no description available]	medium	1	0	11-oxo steroid; 17-oxo steroid; 3-oxo-Delta(4) steroid; androstanoid	androgen; EC 1.1.1.146 (11beta-hydroxysteroid dehydrogenase) inhibitor; human urinary metabolite; marine metabolite
gossypol acetic acid	[no description available]	medium	1	0
epinastine	[no description available]	medium	1	0	corticosteroid hormone
4',6-dihydroxy-5,7-dimethoxyflavone	[no description available]	medium	1	0	dihydroxyflavone; dimethoxyflavone
2-hydroxyestradiol	[no description available]	medium	1	0	17beta-hydroxy steroid; 2-hydroxy steroid	carcinogenic agent; human metabolite; metabolite; mouse metabolite; prodrug
medrysone	[no description available]	medium	1	0	corticosteroid hormone
artisone acetate	[no description available]	medium	1	0	corticosteroid hormone
chondocurine (1beta)-(+-)-isomer	[no description available]	medium	1	0	aromatic ether
4-methoxyxanthone	[no description available]	medium	1	0
2-methyl-N-[4-(propan-2-ylamino)phenyl]-2-propenamide	[no description available]	medium	1	0	amine
mandelic acid, (s)-isomer	[no description available]	medium	1	0	(2S)-2-hydroxy monocarboxylic acid; mandelic acid
tosylphenylalanyl chloromethyl ketone	[no description available]	medium	1	0	alpha-chloroketone; sulfonamide	alkylating agent; serine proteinase inhibitor
cortodoxone	[no description available]	medium	1	0	deoxycortisol; glucocorticoid; primary alpha-hydroxy ketone; tertiary alpha-hydroxy ketone	human metabolite; mouse metabolite
acebutolol hydrochloride	[no description available]	medium	1	0	hydrochloride	anti-arrhythmia drug; antihypertensive agent; beta-adrenergic antagonist; sympathomimetic agent
amiodarone hydrochloride	[no description available]	medium	1	0	aromatic ketone
dicyclomine hydrochloride	[no description available]	medium	1	0	hydrochloride	antispasmodic drug; muscarinic antagonist
difluprednate	[no description available]	medium	1	0	butyrate ester; corticosteroid hormone
dironyl	[no description available]	medium	1	0	organic molecular entity
amcinonide	[no description available]	medium	1	0	11beta-hydroxy steroid; 20-oxo steroid; 3-oxo-Delta(1),Delta(4)-steroid; acetate ester; corticosteroid; fluorinated steroid; spiroketal	anti-inflammatory drug
flumethasone pivalate	[no description available]	medium	1	0	11beta-hydroxy steroid; 17alpha-hydroxy steroid; 20-oxo steroid; 3-oxo-Delta(1),Delta(4)-steroid; fluorinated steroid; glucocorticoid; pivalate ester; tertiary alpha-hydroxy ketone	anti-inflammatory drug; antipruritic drug
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
histidyl-proline diketopiperazine	[no description available]	medium	1	0	dipeptide; homodetic cyclic peptide; imidazoles; pyrrolopyrazine	anti-inflammatory agent; dopamine uptake inhibitor; human blood serum metabolite
afimoxifene	[no description available]	medium	1	0	phenols; tertiary amino compound	antineoplastic agent; estrogen receptor antagonist; metabolite
ketoconazole	[no description available]	medium	1	0	cis-1-acetyl-4-(4-{[2-(2,4-dichlorophenyl)-2-(1H-imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy}phenyl)piperazine
azaserine	[no description available]	medium	1	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
maltitol	[no description available]	medium	1	0	alpha-D-glucoside; glycosyl alditol	laxative; metabolite; sweetening agent
chalcone	[no description available]	medium	1	0	chalcone	EC 3.2.1.1 (alpha-amylase) inhibitor
thermospine	[no description available]	medium	1	0
dibenzylidene acetone	[no description available]	medium	1	0
4-methoxy-1,3-dimethyl-6-thiophen-2-yl-8-cyclohepta[c]furanone	[no description available]	medium	1	0	cycloheptafuran
5-[(5-methoxycarbonyl-2-methyl-3-furanyl)methoxy]-2-methyl-3-benzofurancarboxylic acid 2-methoxyethyl ester	[no description available]	medium	1	0	2-methoxyethyl ester; benzofurans
5,6,7-trimethoxy-1-methyl-2-indolecarboxylic acid	[no description available]	medium	1	0	indolyl carboxylic acid
haplamine	[no description available]	medium	1	0	organic heterotricyclic compound; organonitrogen heterocyclic compound; oxacycle
octotropine methylbromide	[no description available]	medium	1	0
diethylstilbestrol dipropionate	[no description available]	medium	1	0
(1S,2R)-2-(octylamino)-1-[4-(propan-2-ylthio)phenyl]-1-propanol	[no description available]	medium	1	0	alkylbenzene
glycerylphosphorylcholine	[no description available]	medium	1	0	phosphocholines; sn-glycerol 3-phosphates	Escherichia coli metabolite; human metabolite; mouse metabolite; neuroprotective agent; parasympatholytic; Saccharomyces cerevisiae metabolite
n-methylscopolamine nitrate	[no description available]	medium	1	0
phenytoin sodium	[no description available]	medium	1	0
nsc 4347	[no description available]	medium	1	0
ipratropium bromide anhydrous	[no description available]	medium	1	0
4-methoxy-N1,N3-bis(3-pyridinyl)benzene-1,3-dicarboxamide	[no description available]	medium	1	0	benzamides
methamilane methiodide	[no description available]	medium	1	0
physostigmine salicylate	[no description available]	medium	1	0	azaheterocycle salicylate salt; salicylates
pilocarpine nitrate	[no description available]	medium	1	0
n(6)-cyclopentyladenosine	[no description available]	medium	1	0
methylatropine nitrate	[no description available]	medium	1	0
1-[1-oxo-2-[(4-oxo-2,3-dihydro-1H-cyclopenta[c][1]benzopyran-7-yl)oxy]ethyl]-4-piperidinecarboxylic acid	[no description available]	medium	1	0	coumarins
2-(2,3,4-trimethoxyphenyl)-2,3-dihydro-1,3-benzoxazin-4-one	[no description available]	medium	1	0	benzoxazine
dienestrol	[no description available]	medium	1	0
methylthiouracil	[no description available]	medium	1	0	pyrimidone
4-methoxy-N-(3-pyridinylmethyl)benzamide	[no description available]	medium	1	0	benzamides
5-methyl-4-[(2-oxo-1-benzopyran-7-yl)oxymethyl]-2-furancarboxylic acid methyl ester	[no description available]	medium	1	0	coumarins
2-(1,3-dioxo-2-isoindolyl)-N-(3-nitrophenyl)acetamide	[no description available]	medium	1	0	phthalimides
urocanic acid	[no description available]	medium	1	0	urocanic acid	human metabolite
2-(3,4-dimethoxyphenyl)-1-(2,4,6-trihydroxyphenyl)ethanone	[no description available]	medium	1	0	stilbenoid
3-(4-methoxyphenyl)-5-(2-phenylethyl)-1,2,4-oxadiazole	[no description available]	medium	1	0	oxadiazole; ring assembly
3-(3,5-dimethyl-7-oxo-6-furo[3,2-g][1]benzopyranyl)propanoic acid	[no description available]	medium	1	0	psoralens
1,6-dimethyl-3-(2-pyridinyl)pyrimido[5,4-e][1,2,4]triazine-5,7-dione	[no description available]	medium	1	0	pyrimidotriazine
thiothixene	[no description available]	medium	1	0	N-methylpiperazine	anticoronaviral agent
9-hydroxy-4-[1-oxo-2-[4-(phenylmethyl)-1-piperazinyl]ethyl]-2,3-dihydro-1H-[1]benzopyrano[3,4-b]pyridin-5-one	[no description available]	medium	1	0	pyridochromene
5-bromo-3-pyridinecarboxylic acid [3-(3-methylphenoxy)-4-oxo-1-benzopyran-7-yl] ester	[no description available]	medium	1	0	chromones
5-methyl-4-[(3-methyl-6-oxo-7,8,9,10-tetrahydrobenzo[c][1]benzopyran-1-yl)oxymethyl]-2-furancarboxylic acid	[no description available]	medium	1	0	coumarins
4-methyl-3-(phenylmethyl)-7-[(3,4,5-trimethoxyphenyl)methoxy]-1-benzopyran-2-one	[no description available]	medium	1	0	coumarins
[2-(4-methoxyphenyl)-6-methyl-4-quinolinyl]-(4-morpholinyl)methanone	[no description available]	medium	1	0	quinolines
5-(3,3-dimethyl-2-oxobutoxy)-3,4,7-trimethyl-1-benzopyran-2-one	[no description available]	medium	1	0	coumarins
N-[4-(4-morpholinyl)phenyl]-5-(2-nitrophenyl)-2-furancarboxamide	[no description available]	medium	1	0	aromatic amide; furans
2-(8-methoxy-2-methyl-4-oxo-1-quinolinyl)-N-(2-methoxyphenyl)acetamide	[no description available]	medium	1	0	quinolines
N-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-N-propan-2-yl-2-furancarboxamide	[no description available]	medium	1	0	quinolines
cinnarizine	[no description available]	medium	1	0	diarylmethane; N-alkylpiperazine; olefinic compound	anti-allergic agent; antiemetic; calcium channel blocker; geroprotector; H1-receptor antagonist; histamine antagonist; muscarinic antagonist
2-(4-bromophenyl)-1-(2,4-dihydroxyphenyl)ethanone	[no description available]	medium	1	0	stilbenoid
1-cyclohexyl-3-(6-ethoxy-1,3-benzothiazol-2-yl)urea	[no description available]	medium	1	0	benzothiazoles
N-[(3,5-dimethoxyphenyl)methyl]-1-(2,3,4-trimethoxyphenyl)methanamine	[no description available]	medium	1	0	dimethoxybenzene
2-[[5-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]-4-oxo-2-phenyl-1-benzopyran-7-yl]oxy]acetic acid tert-butyl ester	[no description available]	medium	1	0	flavones; tert-butyl ester
ethylenethiourea	[no description available]	medium	1	0	imidazolidines
p-aminosalicylic acid monosodium salt	[no description available]	medium	1	0	organic molecular entity
mecysteine hydrochloride	[no description available]	medium	1	0	alpha-amino acid ester
2-(2-furanyl)-4-thiazolidinecarboxylic acid	[no description available]	medium	1	0	organonitrogen compound; organooxygen compound
dihydrosamidine	[no description available]	medium	1	0
N-(2-methoxycyclohexyl)-3,4-dimethylaniline	[no description available]	medium	1	0	methylbenzene
2-(3,4-dimethylphenyl)-5-ethyl-5-phenyl-1,2,4-triazolidine-3-thione	[no description available]	medium	1	0	methylbenzene
2-[3-oxo-1-[[[oxo(thiophen-2-yl)methyl]amino]-sulfanylidenemethyl]-2-piperazinyl]acetic acid propan-2-yl ester	[no description available]	medium	1	0	isopropyl ester; piperazines
zeranol	[no description available]	medium	1	0	macrolide
monooctanoin	[no description available]	medium	1	0	1-monoglyceride; octanoate ester; rac-1-monoacylglycerol
trimethoprim	[no description available]	medium	1	0
4-hydroxy-1-[1-oxo-2-(phenylmethoxycarbonylamino)propyl]-2-pyrrolidinecarboxylic acid	[no description available]	medium	1	0	peptide
N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2-(2,3-dimethoxyphenyl)acetamide	[no description available]	medium	1	0	dimethoxybenzene
3-acetyl-6-methyl-1H-quinolin-4-one	[no description available]	medium	1	0	quinolines
3-(phenylthio)-1-(1-pyrrolidinyl)-1-propanone	[no description available]	medium	1	0	aryl sulfide
N-(3-chlorophenyl)-5-oxo-9b-phenyl-2,3-dihydroimidazo[2,1-a]isoindole-1-carboxamide	[no description available]	medium	1	0	imidazolidines
Anthraniloyllycoctonine	[no description available]	medium	1	0	diterpene alkaloid
N-[4-[(cyclohexylamino)-oxomethyl]phenyl]-3-pyridinecarboxamide	[no description available]	medium	1	0	aromatic amide
1-[3-[[4-(4-fluorophenyl)-1-piperazinyl]methyl]-4-methoxyphenyl]-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylic acid	[no description available]	medium	1	0	harmala alkaloid
prostaglandin f1	[no description available]	medium	1	0	prostaglandins Falpha	human metabolite
timolol maleate	[no description available]	medium	1	0	maleate salt	anti-arrhythmia drug; antiglaucoma drug; antihypertensive agent; beta-adrenergic antagonist
brompheniramine maleate	[no description available]	medium	1	0	maleate salt	anti-allergic agent
estriol 17-glucuronide	[no description available]	medium	1	0	steroid saponin
4-hydroxyestradiol	[no description available]	medium	1	0	4-hydroxy steroid	metabolite
menatetrenone	[no description available]	medium	1	0	menaquinone	anti-inflammatory agent; antioxidant; bone density conservation agent; human metabolite; neuroprotective agent
xylometazoline hydrochloride	[no description available]	medium	1	0
ketotifen fumarate	[no description available]	medium	1	0	organoammonium salt	anti-asthmatic drug; H1-receptor antagonist
dinoprost tromethamine	[no description available]	medium	1	0	organic molecular entity
hydrocortisone valerate	[no description available]	medium	1	0	cortisol ester; glucocorticoid; primary alpha-hydroxy ketone; valerate ester
prostaglandin f2 methyl ester	[no description available]	medium	1	0	prostanoid
2-bromoergocryptine mesylate	[no description available]	medium	1	0
perhexiline maleate	[no description available]	medium	1	0
phenoxybenzamine hydrochloride	[no description available]	medium	1	0	organic molecular entity
phenylephrine hydrochloride	[no description available]	medium	9	0	hydrochloride
phenylephrine hydrochloride	[no description available]	medium	9	1	hydrochloride
mepyramine maleate	[no description available]	medium	1	0
ethisterone	[no description available]	medium	1	0	17beta-hydroxy steroid; 3-oxo-Delta(4) steroid; terminal acetylenic compound; tertiary alcohol	drug metabolite; progestin
nalmefene	[no description available]	medium	1	0	morphinane alkaloid
6alpha-hydroxy-17beta-estradiol	[no description available]	medium	1	0	6alpha-hydroxy steroid
desoximetasone	[no description available]	medium	1	0	11beta-hydroxy steroid; 20-oxo steroid; 21-hydroxy steroid; 3-oxo-Delta(1),Delta(4)-steroid; fluorinated steroid; glucocorticoid; primary alpha-hydroxy ketone	anti-inflammatory drug; antipruritic drug
u-44619	[no description available]	medium	1	0
tyrphostin ag 555	[no description available]	medium	1	0
nifuroxazide	[no description available]	medium	1	0	benzoic acids
rg 13022	[no description available]	medium	1	0
styrylquinoline	[no description available]	medium	1	0	2-styrylquinoline
enalapril maleate	[no description available]	medium	1	0	maleate salt	antihypertensive agent; EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor; prodrug
trimebutine maleate salt	[no description available]	medium	1	0	trihydroxybenzoic acid
vincristine sulfate	[no description available]	medium	1	0
3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-5,7-dihydroxy-2-methyl-1-benzopyran-4-one	[no description available]	medium	1	0	isoflavones
(2R)-2-[[(2R,3R,4R)-2-amino-4-hydroxy-4-(5-hydroxy-2-pyridinyl)-3-methyl-1-oxobutyl]amino]-2-[(2S,3R,4S,5S)-5-(2,4-dioxo-1-pyrimidinyl)-3,4-dihydroxy-2-oxolanyl]acetic acid	[no description available]	medium	1	0	peptide
n-methylscopolamine bromide	[no description available]	medium	1	0
naltrexone hydrochloride	[no description available]	medium	1	0	hydrochloride	antidote to opioid poisoning; central nervous system depressant; mu-opioid receptor antagonist
nylidrin hydrochloride	[no description available]	medium	1	0	alkylbenzene
triprolidine hydrochloride anhydrous	[no description available]	medium	1	0	hydrochloride	H1-receptor antagonist
phentolamine	[no description available]	medium	1	0
fendiline hydrochloride	[no description available]	medium	1	0
tiapridex	[no description available]	medium	1	0	benzamides
nab-365	[no description available]	medium	1	0	hydrochloride	beta-adrenergic agonist; bronchodilator agent; sympathomimetic agent
dithiazanine iodide	[no description available]	medium	1	0	benzothiazoles; organic iodide salt	anthelminthic drug; fluorochrome
sinequan	[no description available]	medium	1	0	dibenzooxazepine
buflomedil hydrochloride	[no description available]	medium	1	0	aromatic ketone
moxisylyte hydrochloride	[no description available]	medium	1	0	monoterpenoid
dirithromycin	[no description available]	medium	1	0	macrolide antibiotic	prodrug
fluphenazine	[no description available]	medium	1	0
homochlorocyclizine monohydrochloride	[no description available]	medium	1	0
butoxamine hydrochloride	[no description available]	medium	1	0
scopolamine hydrobromide	[no description available]	medium	1	0
protriptyline hydrochloride	[no description available]	medium	1	0	hydrochloride	antidepressant
epinephrine bitartrate	[no description available]	medium	1	0
bicuculline methobromide	[no description available]	medium	1	0
6 beta-hydroxycortisol	[no description available]	medium	1	0	11beta-hydroxy steroid; 17alpha-hydroxy steroid; 20-oxo steroid; 21-hydroxy steroid; 3-oxo-Delta(4) steroid; 6beta-hydroxy steroid; C21-steroid; primary alpha-hydroxy ketone; tertiary alpha-hydroxy ketone	human metabolite; mammalian metabolite; probe
androst-16-en-3-one	[no description available]	medium	1	0	3-oxo steroid; androstanoid	mammalian metabolite; pheromone
butaclamol hydrochloride	[no description available]	medium	1	0
dihydroouabain	[no description available]	medium	1	0	cardenolide glycoside	EC 3.6.3.9 (Na(+)/K(+)-transporting ATPase) inhibitor; radiosensitizing agent
LSM-6455	[no description available]	medium	1	0	peptide ergot alkaloid
estradiol 17-acetate	[no description available]	medium	1	0	steroid ester
(3aR,6aR)-5-(3-methoxyphenyl)-3-[oxo(2-pyrazinyl)methyl]-3a,6a-dihydro-1H-pyrrolo[3,4-c]pyrazole-4,6-dione	[no description available]	medium	1	0	pyrrolidines
3-morpholino-sydnonimine monohydrochloride	[no description available]	medium	1	0
cefotaxime sodium	[no description available]	medium	1	0	organic sodium salt
N-[[3-(2-chlorophenyl)-1-(4-fluorophenyl)-4-pyrazolyl]methyl]-2-(2-pyridinyl)ethanamine	[no description available]	medium	1	0	pyrazoles; ring assembly
bucladesine	[no description available]	medium	1	0	3',5'-cyclic purine nucleotide
ampicillin sodium	[no description available]	medium	1	0	organic sodium salt
penicillin g potassium	[no description available]	medium	1	0	organic potassium salt
piperacillin sodium	[no description available]	medium	1	0	organic sodium salt
cefoxitin sodium	[no description available]	medium	1	0	organic molecular entity
nafcillin sodium	[no description available]	medium	1	0	organic sodium salt
cefamandole nafate	[no description available]	medium	1	0	organic sodium salt	antibacterial drug
estrone sulfate, potassium salt	[no description available]	medium	1	0
cefazolin sodium	[no description available]	medium	1	0	organic sodium salt
naproxen sodium	[no description available]	medium	1	0	organic sodium salt	antipyretic; cyclooxygenase 1 inhibitor; cyclooxygenase 2 inhibitor; non-narcotic analgesic; non-steroidal anti-inflammatory drug
demeclocycline hydrochloride	[no description available]	medium	1	0
kf38789	[no description available]	medium	1	0
pralidoxime iodide	[no description available]	medium	1	0	organic iodide salt; pyridinium salt	cholinergic drug; cholinesterase reactivator
pralidoxime chloride	[no description available]	medium	1	0	organic chloride salt; pyridinium salt	cholinergic drug; cholinesterase reactivator
ficusin	[no description available]	medium	5	0	psoralens	plant metabolite
naphthazarin	[no description available]	medium	1	0	hydroxy-1,4-naphthoquinone	acaricide; antibacterial agent; antineoplastic agent; apoptosis inducer; geroprotector; plant metabolite
imperatorin	[no description available]	medium	3	0	psoralens	EC 3.1.1.7 (acetylcholinesterase) inhibitor; metabolite
angelicin	[no description available]	medium	5	0	furanocoumarin
alpha-naphthoflavone	[no description available]	medium	2	0	extended flavonoid; naphtho-gamma-pyrone; organic heterotricyclic compound	aryl hydrocarbon receptor agonist; aryl hydrocarbon receptor antagonist; EC 1.14.14.14 (aromatase) inhibitor
oxypeucadanin, (s)-(-)-isomer	[no description available]	medium	1	0	epoxide; furanocoumarin; lactone	plant metabolite
isopimpinellin	[no description available]	medium	1	0	psoralens
phellopterin	[no description available]	medium	1	0	psoralens
sphondin	[no description available]	medium	1	0	furanocoumarin
5-hydroxy-3',4',6,7-tetramethoxyflavone	[no description available]	medium	1	0
withaferin a	[no description available]	medium	1	0	27-hydroxy steroid; 4-hydroxy steroid; delta-lactone; enone; epoxy steroid; ergostanoid; primary alcohol; secondary alcohol; withanolide	antineoplastic agent; apoptosis inducer
pongamol	[no description available]	medium	1	0
hispidulin	[no description available]	medium	1	0	monomethoxyflavone; trihydroxyflavone	anti-inflammatory agent; anticonvulsant; antineoplastic agent; antioxidant; apoptosis inducer; plant metabolite
4-butyrolactone	[no description available]	medium	54	0	butan-4-olide	metabolite; neurotoxin
adenosine diphosphate	[no description available]	medium	1	0	adenosine 5'-phosphate; purine ribonucleoside 5'-diphosphate	fundamental metabolite; human metabolite
jasplakinolide	[no description available]	medium	1	0	cyclodepsipeptide; phenols	actin polymerisation inducer; animal metabolite; antifungal agent; antineoplastic agent; apoptosis inducer; marine metabolite; neuroprotective agent
thiazolidines	[no description available]	medium	3	0	thiazolidine
guanosine triphosphate	[no description available]	medium	1	0	guanosine 5'-phosphate; purine ribonucleoside 5'-triphosphate	Escherichia coli metabolite; mouse metabolite; uncoupling protein inhibitor
latrunculin b	[no description available]	medium	1	0	cyclic hemiketal; macrolide; oxabicycloalkane; thiazolidinone	actin polymerisation inhibitor; metabolite; toxin
rhizoxin	[no description available]	medium	1	0	1,3-oxazoles; epoxide; macrolide antibiotic	antimitotic; antineoplastic agent; metabolite
latrunculin a	[no description available]	medium	1	0	cyclic hemiketal; macrolide; oxabicycloalkane; thiazolidinone	actin polymerisation inhibitor; metabolite; toxin
dihydrotestosterone	[no description available]	medium	2	0	17beta-hydroxy steroid; 17beta-hydroxyandrostan-3-one; 3-oxo-5alpha-steroid	androgen; Daphnia magna metabolite; human metabolite; mouse metabolite
serine	[no description available]	medium	1	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
okadaic acid	[no description available]	medium	1	0	ketal
glucose, (beta-d)-isomer	[no description available]	medium	4	0	D-glucopyranose	epitope; mouse metabolite
texas red	[no description available]	medium	1	0	organic heteroheptacyclic compound	fluorochrome
xanthenes	[no description available]	medium	1	0	xanthene
isomurisolenin	[no description available]	medium	1	0
stearic acid	[no description available]	medium	1	0	long-chain fatty acid; saturated fatty acid; straight-chain saturated fatty acid	algal metabolite; Daphnia magna metabolite; human metabolite; plant metabolite
lead	[no description available]	medium	1	0	carbon group element atom; elemental lead; metal atom	neurotoxin
cellulose	[no description available]	medium	1	0	glycoside
hydroxyethylcellulose	[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
5h-furo(3,2-g)(1)benzopyran-5-one	[no description available]	medium	3	0	furanochromone
1-anilino-8-naphthalenesulfonate	[no description available]	medium	1	0	aminonaphthalene; naphthalenesulfonic acid	fluorescent probe
ceruletide	[no description available]	medium	1	0	oligopeptide	diagnostic agent; gastrointestinal drug
benzofurans	[no description available]	medium	4	0
thiazoles	[no description available]	medium	5	0	1,3-thiazoles; mancude organic heteromonocyclic parent; monocyclic heteroarene
khellinone	[no description available]	medium	1	0
khelloside	[no description available]	medium	5	0	organic heterotricyclic compound; oxacycle
thymine	[no description available]	medium	2	0	pyrimidine nucleobase; pyrimidone	Escherichia coli metabolite; human metabolite; mouse metabolite
calcium oxalate	[no description available]	medium	2	0	organic calcium salt
oxalic acid	[no description available]	medium	1	0	alpha,omega-dicarboxylic acid	algal metabolite; human metabolite; plant metabolite
oxalates	[no description available]	medium	2	1
mannich bases	[no description available]	medium	1	0
betadex	[no description available]	medium	1	0	cyclodextrin
methanol	[no description available]	medium	2	0	alkyl alcohol; one-carbon compound; primary alcohol; volatile organic compound	amphiprotic solvent; Escherichia coli metabolite; fuel; human metabolite; mouse metabolite; Mycoplasma genitalium metabolite
methylene chloride	[no description available]	medium	1	0	chloromethanes; volatile organic compound	carcinogenic agent; polar aprotic solvent; refrigerant
oxazoles	[no description available]	medium	1	0	1,3-oxazoles; mancude organic heteromonocyclic parent; monocyclic heteroarene
glycosides	[no description available]	medium	12	0
glycosides	[no description available]	medium	12	1
purine	[no description available]	medium	1	0	purine
nitrites	[no description available]	medium	10	0	monovalent inorganic anion; nitrogen oxoanion; reactive nitrogen species	human metabolite
flavone	[no description available]	medium	2	0	flavones	metabolite; nematicide
cardiovascular agents	[no description available]	medium	7	0
magnesium sulfate	[no description available]	medium	1	0	magnesium salt; metal sulfate; organic magnesium salt	anaesthetic; analgesic; anti-arrhythmia drug; anticonvulsant; calcium channel blocker; cardiovascular drug; fertilizer; tocolytic agent
guanidine	[no description available]	medium	2	0	carboxamidine; guanidines; one-carbon compound
hydrazine	[no description available]	medium	1	0	azane; hydrazines	EC 4.3.1.10 (serine-sulfate ammonia-lyase) inhibitor
camphor, (+-)-isomer	[no description available]	medium	1	0	bornane monoterpenoid; cyclic monoterpene ketone	plant metabolite
chloralose	[no description available]	medium	1	0
D-fructopyranose	[no description available]	medium	2	0	cyclic hemiketal; D-fructose; fructopyranose	sweetening agent
carbonic acid	[no description available]	medium	1	0	carbon oxoacid; chalcocarbonic acid	mouse metabolite
efloxate	[no description available]	medium	1	0	organic molecular entity
erythrityl tetranitrate	[no description available]	medium	1	0	nitrate ester	explosive; vasodilator agent
isoxazoles	[no description available]	medium	2	0	isoxazoles; mancude organic heteromonocyclic parent; monocyclic heteroarene
phytosterols	[no description available]	medium	1	0
alloxan	[no description available]	medium	1	0	pyrimidone	hyperglycemic agent; metabolite
sodium salicylate	[no description available]	medium	3	0	organic molecular entity
visnadin	[no description available]	medium	5	0	coumarins
prenylamine	[no description available]	medium	5	0	diarylmethane
procaine	[no description available]	medium	3	0	benzoate ester; substituted aniline; tertiary amino compound	central nervous system depressant; drug allergen; local anaesthetic; peripheral nervous system drug
bismuth	[no description available]	medium	4	0	metal atom; pnictogen
hydrogen carbonate	[no description available]	medium	2	0	carbon oxoanion	cofactor; Escherichia coli metabolite; human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite
carbonates	[no description available]	medium	2	0	carbon oxoanion
thiouracil	[no description available]	medium	1	0	nucleobase analogue; thiocarbonyl compound	antithyroid drug; metabolite
asparagine	[no description available]	medium	1	0	amino acid zwitterion; asparagine; aspartate family amino acid; L-alpha-amino acid; proteinogenic amino acid	Escherichia coli metabolite; human metabolite; micronutrient; mouse metabolite; nutraceutical; plant metabolite; Saccharomyces cerevisiae metabolite
tolazoline	[no description available]	medium	1	0	imidazoles	alpha-adrenergic antagonist; antihypertensive agent; vasodilator agent
sulfaguanidine	[no description available]	medium	1	0	sulfonamide antibiotic	antiinfective agent
adiphenine	[no description available]	medium	2	0	diarylmethane
bromide	[no description available]	medium	2	0	halide anion; monoatomic bromine
vitamin k semiquinone radical	[no description available]	medium	2	0
dibenzylchlorethamine	[no description available]	medium	1	0
guanethidine	[no description available]	medium	1	0	azocanes; guanidines	adrenergic antagonist; antihypertensive agent; sympatholytic agent
iodine	[no description available]	medium	1	0	halide anion; monoatomic iodine	human metabolite
tetronic acid	[no description available]	medium	1	0
thiotepa	[no description available]	medium	2	0	aziridines
pentaerythritol tetranitrate	[no description available]	medium	1	0	pentaerythritol nitrate	explosive; vasodilator agent
seselin	[no description available]	medium	1	0	coumarins	metabolite
phosphatidylcholines	[no description available]	medium	2	0	1,2-diacyl-sn-glycero-3-phosphocholine
dimoxyline	[no description available]	medium	1	0	isoquinolines
cymarine	[no description available]	medium	1	0
hellebrin	[no description available]	medium	1	0	alpha-L-rhamnoside; disaccharide derivative
adenosine diphosphate ribose	[no description available]	medium	1	0	ADP-sugar	Escherichia coli metabolite; mouse metabolite
sodium fluoride	[no description available]	medium	1	0	fluoride salt	mutagen
pentylenetetrazole	[no description available]	medium	1	0	organic heterobicyclic compound; organonitrogen heterocyclic compound
benzo(a)pyrene	[no description available]	medium	1	0	ortho- and peri-fused polycyclic arene	carcinogenic agent; mouse metabolite
2-aminofluorene	[no description available]	medium	1	0
2-anthramine	[no description available]	medium	1	0	anthracenamine
beta-naphthoflavone	[no description available]	medium	1	0	extended flavonoid; naphtho-gamma-pyrone; organic heterotricyclic compound	aryl hydrocarbon receptor agonist
nad	[no description available]	medium	2	0	organophosphate oxoanion	cofactor; human metabolite; hydrogen acceptor; Saccharomyces cerevisiae metabolite
zeolites	[no description available]	medium	1	0
clay	[no description available]	medium	1	0
cromolyn sodium	[no description available]	medium	1	0	organic sodium salt	anti-asthmatic drug; drug allergen
potassium chloride	[no description available]	medium	1	0	inorganic chloride; inorganic potassium salt; potassium salt	fertilizer
valerates	[no description available]	medium	1	0	short-chain fatty acid anion; straight-chain saturated fatty acid anion	plant metabolite
n-vinyl-2-pyrrolidinone	[no description available]	medium	2	0	pyrrolidin-2-ones
sodium dodecyl sulfate	[no description available]	medium	1	0	organic sodium salt	detergent; protein denaturant
propylparaben	[no description available]	medium	1	0	benzoate ester; paraben; phenols	antifungal agent; antimicrobial agent
dictamnine	[no description available]	medium	2	0	alkaloid antibiotic; organic heterotricyclic compound; organonitrogen heterocyclic compound; oxacycle
thiophenes	[no description available]	medium	1	0	mancude organic heteromonocyclic parent; monocyclic heteroarene; thiophenes; volatile organic compound	non-polar solvent
vanadium	[no description available]	medium	1	0	elemental vanadium; vanadium group element atom	micronutrient
zoxazolamine	[no description available]	medium	1	0	benzoxazole
ethylmorphine	[no description available]	medium	1	0	morphinane alkaloid
thymidine	[no description available]	medium	4	0	pyrimidine 2'-deoxyribonucleoside	Escherichia coli metabolite; human metabolite; metabolite; mouse metabolite
hydrogen	[no description available]	medium	1	0	elemental hydrogen; elemental molecule; gas molecular entity	antioxidant; electron donor; food packaging gas; fuel; human metabolite
lidoflazine	[no description available]	medium	3	0	diarylmethane
triazoles	[no description available]	medium	1	0	1,2,3-triazole
ethidium	[no description available]	medium	2	0	phenanthridines	fluorochrome; intercalator
piperidines	[no description available]	medium	4	0
propantheline	[no description available]	medium	1	0	xanthenes
oxyphenonium	[no description available]	medium	1	0	acylcholine
chlorine	[no description available]	medium	1	0	halide anion; monoatomic chlorine	cofactor; Escherichia coli metabolite; human metabolite
cyanides	[no description available]	medium	1	0	pseudohalide anion	EC 1.9.3.1 (cytochrome c oxidase) inhibitor
diethylcarbamazine	[no description available]	medium	1	0	N-carbamoylpiperazine; N-methylpiperazine
quinine	[no description available]	medium	1	0	cinchona alkaloid	antimalarial; muscle relaxant; non-narcotic analgesic
morphinans	[no description available]	medium	1	0	isoquinoline alkaloid fundamental parent; morphinane alkaloid
potassium iodide	[no description available]	medium	1	0	potassium salt	expectorant; radical scavenger
phenyl acetate	[no description available]	medium	3	0	benzenes; phenyl acetates
selenium	[no description available]	medium	2	0	chalcogen; nonmetal atom	micronutrient
sodium hydroxide	[no description available]	medium	1	0	alkali metal hydroxide
aspartic acid	[no description available]	medium	1	0	aspartate family amino acid; aspartic acid; L-alpha-amino acid; proteinogenic amino acid	Escherichia coli metabolite; mouse metabolite; neurotransmitter
lanatosides	[no description available]	medium	1	0
transforming growth factor beta	[no description available]	medium	143	2
taurochenodeoxycholic acid	[no description available]	medium	1	0	bile acid taurine conjugate	human metabolite; mouse metabolite
aluminum	[no description available]	medium	2	0	boron group element atom; elemental aluminium; metal atom
neodymium	[no description available]	medium	6	1	f-block element atom; lanthanoid atom
yttrium	[no description available]	medium	6	1	d-block element atom; rare earth metal atom; scandium group element atom
yttrium radioisotopes	[no description available]	medium	4	0
indocyanine green	[no description available]	medium	2	0	1,1-diunsubstituted alkanesulfonate; benzoindole; cyanine dye
cyclin d1	[no description available]	medium	6	0
su 11248	[no description available]	medium	1	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
helium	[no description available]	medium	2	0	monoatomic helium; noble gas atom; s-block element atom	food packaging gas
erbium	[no description available]	medium	2	0	f-block element atom; lanthanoid atom
neon	[no description available]	medium	2	0	monoatomic neon; noble gas atom; p-block element atom
palmitoylcarnitine	[no description available]	medium	1	0	O-palmitoylcarnitine; saturated fatty acyl-L-carnitine	EC 3.6.3.9 (Na(+)/K(+)-transporting ATPase) inhibitor; human metabolite; mouse metabolite
phosphorylcholine	[no description available]	medium	2	0	phosphocholines	allergen; epitope; hapten; human metabolite; mouse metabolite
sphingosine	[no description available]	medium	4	0	sphing-4-enine	human metabolite; mouse metabolite
tungsten	[no description available]	medium	2	0	chromium group element atom	micronutrient
isoprene	[no description available]	medium	2	0	alkadiene; hemiterpene; volatile organic compound	plant metabolite
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
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
angiotensin ii	[no description available]	medium	4	0	amino acid zwitterion; angiotensin II	human metabolite
nadp	[no description available]	medium	1	0
ropivacaine	[no description available]	medium	1	0	piperidinecarboxamide; ropivacaine	local anaesthetic
prilocaine	[no description available]	medium	2	0	amino acid amide; monocarboxylic acid amide	anticonvulsant; local anaesthetic
aminolevulinic acid	[no description available]	medium	10	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
strontium radioisotopes	[no description available]	medium	9	1
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
niclosamide	[no description available]	medium	1	0	benzamides; C-nitro compound; monochlorobenzenes; salicylanilides; secondary carboxamide	anthelminthic drug; anticoronaviral agent; antiparasitic agent; apoptosis inducer; molluscicide; piscicide; STAT3 inhibitor
imiquimod	[no description available]	medium	31	3	imidazoquinoline	antineoplastic agent; interferon inducer
cathepsin g	[no description available]	medium	1	0
hypochlorous acid	[no description available]	medium	1	0	chlorine oxoacid; reactive oxygen species	EC 2.5.1.18 (glutathione transferase) inhibitor; EC 3.1.1.7 (acetylcholinesterase) inhibitor; human metabolite
chondroitin sulfates	[no description available]	medium	9	0
chitosan	[no description available]	medium	5	0
interleukin-8	[no description available]	medium	5	0
propiconazole	[no description available]	medium	3	0	conazole fungicide; cyclic ketal; dichlorobenzene; triazole fungicide; triazoles	antifungal agrochemical; EC 1.14.13.70 (sterol 14alpha-demethylase) inhibitor; environmental contaminant; xenobiotic
hyaluronoglucosaminidase	[no description available]	medium	23	2
naphthoquinones	[no description available]	medium	3	0
elastin	[no description available]	medium	14	0	oligopeptide
methylene blue	[no description available]	medium	1	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
perylene	[no description available]	medium	2	0	ortho- and peri-fused polycyclic arene; perylenes
epidermal growth factor	[no description available]	medium	8	0
sesquiterpenes	[no description available]	medium	1	0
pyrroles	[no description available]	medium	2	0	pyrrole; secondary amine
fluorodeoxyglucose f18	[no description available]	medium	3	1	2-deoxy-2-((18)F)fluoro-D-glucose; 2-deoxy-2-fluoro-aldehydo-D-glucose
rhenium	[no description available]	medium	1	0	manganese group element atom
oxybutynin	[no description available]	medium	4	1	acetylenic compound; carboxylic ester; racemate; tertiary alcohol; tertiary amino compound	antispasmodic drug; calcium channel blocker; local anaesthetic; muscarinic antagonist; muscle relaxant; parasympatholytic
iridium radioisotopes	[no description available]	medium	11	0
ginsenosides	[no description available]	medium	2	0
deoxyglucose	[no description available]	medium	1	0
itraconazole	[no description available]	medium	3	0	aromatic ether; conazole antifungal drug; cyclic ketal; dichlorobenzene; dioxolane; N-arylpiperazine; triazole antifungal drug; triazoles	EC 3.6.3.44 (xenobiotic-transporting ATPase) inhibitor; Hedgehog signaling pathway inhibitor; P450 inhibitor
bromodeoxyuridine	[no description available]	medium	1	0	pyrimidine 2'-deoxyribonucleoside	antimetabolite; antineoplastic agent
gallic acid	[no description available]	medium	1	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
hydroxyproline	[no description available]	medium	16	0	4-hydroxyproline; L-alpha-amino acid zwitterion	human metabolite; mouse metabolite; plant metabolite
cyclic gmp	[no description available]	medium	3	0	3',5'-cyclic purine nucleotide; guanyl ribonucleotide	Escherichia coli metabolite; human metabolite; mouse metabolite; plant metabolite; Saccharomyces cerevisiae metabolite
organophosphonates	[no description available]	medium	2	0	divalent inorganic anion; phosphite ion
stilbenes	[no description available]	medium	1	0	stilbene
catechin	[no description available]	medium	3	0	catechin	antioxidant; plant metabolite
artesunic acid	[no description available]	medium	1	0
oligonucleotides	[no description available]	medium	1	0
bromochloroacetic acid	[no description available]	medium	8	1	2-bromocarboxylic acid; monocarboxylic acid; organochlorine compound
dalteparin	[no description available]	medium	1	0
radium	[no description available]	medium	9	0	alkaline earth metal atom
tannins	[no description available]	medium	2	0
inositol 3-phosphate	[no description available]	medium	6	1
chlorophyll a	[no description available]	medium	1	0	chlorophyll; methyl ester	cofactor
argon	[no description available]	medium	7	2	monoatomic argon; noble gas atom; p-block element atom	food packaging gas; neuroprotective agent
phytoestrogens	[no description available]	medium	1	0
carbostyril	[no description available]	medium	1	0	monohydroxyquinoline; quinolone	bacterial xenobiotic metabolite
phloroglucinol	[no description available]	medium	1	0	benzenetriol; phenolic donor	algal metabolite
tiletamine hydrochloride	[no description available]	medium	2	0
leptin	[no description available]	medium	1	0
prostaglandin d2	[no description available]	medium	1	0	prostaglandins D	human metabolite; mouse metabolite
1,2-dihydroxybenzene-3,5-disulfonic acid disodium salt	[no description available]	medium	1	0	organic molecular entity
fibrin	[no description available]	medium	4	0	peptide
tomatine	[no description available]	medium	1	0
diosgenin	[no description available]	medium	1	0	3beta-sterol; hexacyclic triterpenoid; sapogenin; spiroketal	antineoplastic agent; antiviral agent; apoptosis inducer; metabolite
enkephalin, leucine	[no description available]	medium	1	0	pentapeptide; peptide zwitterion	analgesic; delta-opioid receptor agonist; human metabolite; mu-opioid receptor agonist; neurotransmitter; rat metabolite
alpha-aminopyridine	[no description available]	medium	1	0
sincalide	[no description available]	medium	1	0	oligopeptide
sorafenib	[no description available]	medium	1	0	(trifluoromethyl)benzenes; aromatic ether; monochlorobenzenes; phenylureas; pyridinecarboxamide	angiogenesis inhibitor; anticoronaviral agent; antineoplastic agent; EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor; ferroptosis inducer; tyrosine kinase inhibitor
clobetasol	[no description available]	medium	1	1	11beta-hydroxy steroid; 17alpha-hydroxy steroid; 20-oxo steroid; 3-oxo-Delta(1),Delta(4)-steroid; chlorinated steroid; fluorinated steroid; glucocorticoid; tertiary alpha-hydroxy ketone	anti-inflammatory drug; SMO receptor agonist
endothelin-1	[no description available]	medium	1	0
pyrimidinones	[no description available]	medium	1	0
hydrogen cyanide	[no description available]	medium	1	0	hydracid; one-carbon compound	Escherichia coli metabolite; human metabolite; poison
malondialdehyde	[no description available]	medium	3	0	dialdehyde	biomarker
enbucrilate	[no description available]	medium	1	0	alpha,beta-unsaturated monocarboxylic acid; nitrile
silicon	[no description available]	medium	2	0	carbon group element atom; metalloid atom; nonmetal atom
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
psd 502	[no description available]	medium	1	0
tocopherols	[no description available]	medium	2	0
durapatite	[no description available]	medium	1	1
substance p	[no description available]	medium	1	0	peptide	neurokinin-1 receptor agonist; neurotransmitter; vasodilator agent
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
aldosterone	[no description available]	medium	1	0	11beta-hydroxy steroid; 18-oxo steroid; 20-oxo steroid; 21-hydroxy steroid; 3-oxo-Delta(4) steroid; C21-steroid hormone; mineralocorticoid; primary alpha-hydroxy ketone; steroid aldehyde	human metabolite; mouse metabolite
metallothionein	[no description available]	medium	2	0
methylmethacrylate	[no description available]	medium	1	0	enoate ester; methyl ester	allergen; polymerisation monomer
selenocysteine	[no description available]	medium	1	0
exudates	[no description available]	medium	3	0
ammonium hydroxide	[no description available]	medium	1	0	azane; gas molecular entity; mononuclear parent hydride	EC 3.5.1.4 (amidase) inhibitor; metabolite; mouse metabolite; neurotoxin; NMR chemical shift reference compound; nucleophilic reagent; refrigerant
hydrochloric acid	[no description available]	medium	1	0	chlorine molecular entity; gas molecular entity; hydrogen halide; mononuclear parent hydride	mouse metabolite
silver	[no description available]	medium	1	0	copper group element atom; elemental silver	Escherichia coli metabolite
phosphorus radioisotopes	[no description available]	medium	2	0
nickel	[no description available]	medium	4	1	metal allergen; nickel group element atom	epitope; micronutrient
(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
3-hydroxyflavone	[no description available]	medium	1	0	flavonols; monohydroxyflavone
ethyl chloride	[no description available]	medium	1	0	chloroethanes	antipruritic drug; inhalation anaesthetic; local anaesthetic
ethane	[no description available]	medium	1	0	alkane; gas molecular entity	plant metabolite; refrigerant
thiourea	[no description available]	medium	1	0	one-carbon compound; thioureas; ureas	antioxidant; chromophore
mechlorethamine	[no description available]	medium	1	0	nitrogen mustard; organochlorine compound	alkylating agent
strontium	[no description available]	medium	2	0	alkaline earth metal atom
2,3,4,6-tetrachlorophenol	[no description available]	medium	1	0	tetrachlorophenol	xenobiotic metabolite
kaolinite	[no description available]	medium	2	0	aluminosilicate mineral; mixture	antidiarrhoeal drug; excipient
hirudin	[no description available]	medium	1	0
podophyllin	[no description available]	medium	1	0
trolamine salicylate	[no description available]	medium	2	0
biguanides	[no description available]	medium	1	0	guanidines
proline	[no description available]	medium	11	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
edetic acid	[no description available]	medium	2	0	ethylenediamine derivative; polyamino carboxylic acid; tetracarboxylic acid	anticoagulant; antidote; chelator; copper chelator; geroprotector
galactose	[no description available]	medium	4	0
calpain	[no description available]	medium	1	0
staurosporine	[no description available]	medium	2	0	ammonium ion derivative
gold	[no description available]	medium	2	1	copper group element atom; elemental gold
thymosin	[no description available]	medium	1	0
cytochrome c-t	[no description available]	medium	1	0
activins	[no description available]	medium	1	0
1-methyl-3-isobutylxanthine	[no description available]	medium	1	0	3-isobutyl-1-methylxanthine
arachidonic acid	[no description available]	medium	4	0	icosa-5,8,11,14-tetraenoic acid; long-chain fatty acid; omega-6 fatty acid	Daphnia galeata metabolite; EC 3.1.1.1 (carboxylesterase) inhibitor; human metabolite; mouse metabolite
cyclosporine	[no description available]	medium	2	0
cerium	[no description available]	medium	1	0	f-block element atom; lanthanoid atom
oxadiazoles	[no description available]	medium	1	0
cobalt	[no description available]	medium	1	0	cobalt group element atom; metal allergen	micronutrient
digitonin	[no description available]	medium	1	0
oligomycins	[no description available]	medium	1	0
squalene	[no description available]	medium	1	0	triterpene	human metabolite; mouse metabolite; plant metabolite; Saccharomyces cerevisiae metabolite
nicardipine	[no description available]	medium	1	0	benzenes; C-nitro compound; diester; dihydropyridine; methyl ester; tertiary amino compound
promegestone	[no description available]	medium	1	0	20-oxo steroid; 3-oxo-Delta(4) steroid	antineoplastic agent; progesterone receptor agonist; progestin
aminopropionitrile	[no description available]	medium	2	0	aminopropionitrile	antineoplastic agent; antirheumatic drug; collagen cross-linking inhibitor; plant metabolite
zinc sulfate	[no description available]	medium	1	0	metal sulfate; zinc molecular entity	fertilizer
potassium dichromate	[no description available]	medium	1	0	potassium salt	allergen; oxidising agent; sensitiser
alcian blue	[no description available]	medium	1	0
silver nitrate	[no description available]	medium	3	0	inorganic nitrate salt; silver salt	astringent
putrescine	[no description available]	medium	1	1	alkane-alpha,omega-diamine	antioxidant; fundamental metabolite
aluminum oxide	[no description available]	medium	1	0
manganese	[no description available]	medium	1	0	elemental manganese; manganese group element atom	Escherichia coli metabolite; micronutrient
titanium	[no description available]	medium	1	0	titanium group element atom
acridine orange	[no description available]	medium	1	0	aminoacridines; aromatic amine; tertiary amino compound	fluorochrome; histological dye
trifluoperazine	[no description available]	medium	1	0	N-alkylpiperazine; N-methylpiperazine; organofluorine compound; phenothiazines	antiemetic; calmodulin antagonist; dopaminergic antagonist; EC 1.8.1.12 (trypanothione-disulfide reductase) inhibitor; EC 5.3.3.5 (cholestenol Delta-isomerase) inhibitor; phenothiazine antipsychotic drug
linoleic acid	[no description available]	medium	4	0	octadecadienoic acid; omega-6 fatty acid	algal metabolite; Daphnia galeata metabolite; plant metabolite
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
desmosine	[no description available]	medium	1	0	aromatic amino acid
histidine	[no description available]	medium	1	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
hydroxylysine	[no description available]	medium	1	0	5-hydroxylysine; hydroxy-L-lysine	human metabolite
pheniramine	[no description available]	medium	1	0	pyridines; tertiary amino compound
chlorpyrifos	[no description available]	medium	1	0	chloropyridine; organic thiophosphate	acaricide; agrochemical; EC 3.1.1.7 (acetylcholinesterase) inhibitor; EC 3.1.1.8 (cholinesterase) inhibitor; environmental contaminant; insecticide; xenobiotic
eye	[no description available]	medium	1	0
isomethyleugenol	[no description available]	medium	1	0	isomethyleugenol
phosphotyrosine	[no description available]	medium	1	0	L-tyrosine derivative; non-proteinogenic L-alpha-amino acid; O(4)-phosphotyrosine	Escherichia coli metabolite; immunogen
methylprednisolone acetate	[no description available]	medium	1	0	11beta-hydroxy steroid; 17alpha-hydroxy steroid; 20-oxo steroid; 3-oxo-Delta(1),Delta(4)-steroid; acetate ester; glucocorticoid; steroid ester; tertiary alpha-hydroxy ketone	anti-inflammatory drug
n-acetylneuraminic acid	[no description available]	medium	1	0	N-acetylneuraminic acids	antioxidant; bacterial metabolite; EC 3.2.1.18 (exo-alpha-sialidase) inhibitor; human metabolite; mouse metabolite
clove	[no description available]	medium	1	0
dinitrochlorobenzene	[no description available]	medium	2	0	C-nitro compound; monochlorobenzenes	allergen; epitope; sensitiser
vitamin b 12	[no description available]	medium	1	0
acid phosphatase	[no description available]	medium	3	0
iridium	[no description available]	medium	3	0	cobalt group element atom; platinum group metal atom
gallium	[no description available]	medium	1	0	boron group element atom
glucuronic acid	[no description available]	medium	1	0	D-glucuronic acid	algal metabolite
iduronate	[no description available]	medium	1	0	idopyranuronic acid; L-iduronic acid
cyanogen bromide	[no description available]	medium	1	0
mannose	[no description available]	medium	2	0	D-aldohexose; D-mannose; mannopyranose	metabolite
nystatin a1	[no description available]	medium	1	0	nystatins
zinc oxide	[no description available]	medium	1	0
cystine	[no description available]	medium	1	0
sabinene	[no description available]	medium	1	0	thujene	plant metabolite
dithiothreitol	[no description available]	medium	1	0	1,4-dimercaptobutane-2,3-diol; butanediols; dithiol; glycol; thiol	chelator; human metabolite; reducing agent
xylose	[no description available]	medium	1	0	D-xylose
galactose	[no description available]	medium	1	0	D-galactose; galactopyranose	Escherichia coli metabolite; mouse metabolite
17-ketosteroids	[no description available]	medium	1	0
alpha-chymotrypsin	[no description available]	medium	1	0
salicylates	[no description available]	medium	1	0	monohydroxybenzoate	plant metabolite
thymol	[no description available]	medium	1	0	monoterpenoid; phenols	volatile oil component
humulene	[no description available]	medium	1	0	alpha-humulene
fusarium	[no description available]	medium	1	0
carbon monoxide	[no description available]	low	0	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
hydrogen sulfide	[no description available]	low	0	0	gas molecular entity; hydracid; mononuclear parent hydride; sulfur hydride	Escherichia coli metabolite; genotoxin; metabolite; signalling molecule; toxin; vasodilator agent
nitrous oxide	[no description available]	low	0	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
4-phenyl-3-furoxancarbonitrile	[no description available]	low	0	0	1,2,5-oxadiazole; benzenes; N-oxide; nitrile	geroprotector; nitric oxide donor; platelet aggregation inhibitor; soluble guanylate cyclase activator; vasodilator agent
methacholine	[no description available]	low	0	0	acetate ester; quaternary ammonium ion	bronchoconstrictor agent; cholinergic agonist; epitope; muscarinic agonist; vasodilator agent
bepridil	[no description available]	low	0	0	pyrrolidines; tertiary amine	anti-arrhythmia drug; antihypertensive agent; calcium channel blocker; vasodilator agent
betahistine	[no description available]	low	0	0	aminoalkylpyridine; secondary amino compound	H1-receptor agonist; vasodilator agent
dilazep	[no description available]	low	0	0	benzoate ester; diazepane; diester; methoxybenzenes	cardioprotective agent; platelet aggregation inhibitor; vasodilator agent
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
fenoldopam	[no description available]	low	0	0	benzazepine	alpha-adrenergic agonist; antihypertensive agent; dopamine agonist; dopaminergic antagonist; vasodilator agent
milrinone	[no description available]	low	0	0	bipyridines; nitrile; pyridone	cardiotonic drug; EC 3.1.4.17 (3',5'-cyclic-nucleotide phosphodiesterase) inhibitor; platelet aggregation inhibitor; vasodilator agent
molsidomine	[no description available]	low	0	0	ethyl ester; morpholines; oxadiazole; zwitterion	antioxidant; apoptosis inhibitor; cardioprotective agent; nitric oxide donor; vasodilator agent
pimobendan	[no description available]	low	0	0	benzimidazoles; pyridazinone	cardiotonic drug; EC 3.1.4.* (phosphoric diester hydrolase) inhibitor; vasodilator agent
pindolol	[no description available]	low	0	0	indoles; secondary amine	antiglaucoma drug; antihypertensive agent; beta-adrenergic antagonist; serotonergic antagonist; vasodilator agent
3-(5'-hydroxymethyl-2'-furyl)-1-benzylindazole	[no description available]	low	0	0	aromatic primary alcohol; furans; indazoles	antineoplastic agent; apoptosis inducer; platelet aggregation inhibitor; soluble guanylate cyclase activator; vasodilator agent
nicotinic acid benzyl ester	[no description available]	low	0	0	benzyl ester	vasodilator agent
nicotinyl alcohol	[no description available]	low	0	0	aromatic primary alcohol; pyridines	antilipemic drug; vasodilator agent
isoamyl nitrite	[no description available]	low	0	0	nitrite esters	antihypertensive agent; vasodilator agent
hydralazine hydrochloride	[no description available]	low	0	0	hydrochloride	antihypertensive agent; vasodilator agent
n-pentyl nitrite	[no description available]	low	0	0	nitrite esters	vasodilator agent
pentamethonium	[no description available]	low	0	0	quaternary ammonium ion	antihypertensive agent; vasodilator agent
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
trimethaphan	[no description available]	low	0	0	sulfonium compound	anaesthesia adjuvant; antihypertensive agent; nicotinic antagonist; vasodilator agent
clonixin	[no description available]	low	0	0	aminopyridine; organochlorine compound; pyridinemonocarboxylic acid	antipyretic; EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor; lipoxygenase inhibitor; non-narcotic analgesic; non-steroidal anti-inflammatory drug; platelet aggregation inhibitor; vasodilator agent
dotarizine	[no description available]	low	0	0	cyclic ketal; dioxolane; N-alkylpiperazine	calcium channel blocker; serotonergic antagonist; vasodilator agent
amlodipine besylate	[no description available]	low	0	0	organosulfonate salt	antihypertensive agent; calcium channel blocker; vasodilator agent
d 888	[no description available]	low	0	0	aromatic ether; nitrile; tertiary amino compound	anti-arrhythmia drug; calcium channel blocker; vasodilator agent
spathulenol	[no description available]	low	0	0	carbotricyclic compound; olefinic compound; sesquiterpenoid; tertiary alcohol	anaesthetic; plant metabolite; vasodilator agent; volatile oil component
zofenopril	[no description available]	low	0	0	aryl sulfide; L-proline derivative; N-acyl-L-amino acid; thioester	anticonvulsant; apoptosis inhibitor; cardioprotective agent; EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor; prodrug; vasodilator agent
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
dihydroergocristine	[no description available]	low	0	0	ergot alkaloid	adrenergic antagonist; vasodilator agent
quinaprilat	[no description available]	low	0	0	dicarboxylic acid; isoquinolines; tertiary carboxamide	antihypertensive agent; EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor; vasodilator agent
1-hexadecyl-2-acetyl-glycero-3-phosphocholine	[no description available]	low	0	0	2-acetyl-1-alkyl-sn-glycero-3-phosphocholine	antihypertensive agent; beta-adrenergic antagonist; bronchoconstrictor agent; hematologic agent; vasodilator agent
tadalafil	[no description available]	low	0	0	benzodioxoles; pyrazinopyridoindole	EC 3.1.4.35 (3',5'-cyclic-GMP phosphodiesterase) inhibitor; vasodilator agent
nitroflurbiprofen	[no description available]	low	0	0	biphenyls; carboxylic ester; nitrate ester; organofluorine compound	cyclooxygenase 1 inhibitor; cyclooxygenase 2 inhibitor; EC 1.14.13.39 (nitric oxide synthase) inhibitor; geroprotector; non-steroidal anti-inflammatory drug; vasodilator agent
cgp 42112a	[no description available]	low	0	0	benzyl ester; oligopeptide; pyridinecarboxamide	angiotensin receptor agonist; anti-inflammatory agent; antineoplastic agent; neuroprotective agent; vasodilator agent
angiotensin ii, des-phe(8)-	[no description available]	low	0	0	amino acid zwitterion; angiotensin	vasodilator agent
fasudil hydrochloride	[no description available]	low	0	0	hydrochloride	antihypertensive agent; calcium channel blocker; EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor; neuroprotective agent; nootropic agent; vasodilator agent
bradykinin	[no description available]	low	0	0	oligopeptide	human blood serum metabolite; vasodilator agent
oxytocin	[no description available]	low	0	0	heterodetic cyclic peptide; peptide hormone	oxytocic; vasodilator agent
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
colforsin daropate	[no description available]	medium	0	0	acetate ester; carboxylic ester; cyclic ketone; diol; organic heterotricyclic compound; tertiary amino compound	adenylate cyclase agonist; antihypertensive agent; cardiotonic drug; vasodilator agent
cinnamaldehyde	[no description available]	low	0	0	3-phenylprop-2-enal; cinnamaldehydes	antifungal agent; EC 4.3.1.24 (phenylalanine ammonia-lyase) inhibitor; flavouring agent; hypoglycemic agent; plant metabolite; sensitiser; vasodilator agent
1-0-octadecyl 2-0-acetyl sn-glycero-3-phosphorylcholine	[no description available]	low	0	0	2-acetyl-1-alkyl-sn-glycero-3-phosphocholine	antihypertensive agent; beta-adrenergic antagonist; bronchoconstrictor agent; hematologic agent; vasodilator agent
zofenoprilate	[no description available]	low	0	0	aryl sulfide; L-proline derivative; N-acyl-L-amino acid; thiol	anticonvulsant; apoptosis inhibitor; cardioprotective agent; drug metabolite; EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor; vasodilator agent
lysine clonixinate	[no description available]	low	0	0	organoammonium salt	antipyretic; EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor; lipoxygenase inhibitor; non-narcotic analgesic; non-steroidal anti-inflammatory drug; platelet aggregation inhibitor; vasodilator agent
petasin	[no description available]	low	0	0	alicyclic ketone; enoate ester; enone; sesquiterpenoid	anti-allergic agent; EC 2.7.11.31 {[hydroxymethylglutaryl-CoA reductase (NADPH)] kinase} activator; plant metabolite; vasodilator agent
anandamide	[no description available]	low	0	0	endocannabinoid; N-acylethanolamine 20:4	human blood serum metabolite; neurotransmitter; vasodilator agent
sphingosine 1-phosphate	[no description available]	low	0	0	sphingoid 1-phosphate	mouse metabolite; signalling molecule; sphingosine-1-phosphate receptor agonist; T-cell proliferation inhibitor; vasodilator agent
methyl brevifolincarboxylate	[no description available]	medium	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
ro 42-5892	[no description available]	low	0	0	cyclopropanes; diol; L-histidine derivative; secondary carboxamide; sulfone	antihypertensive agent; EC 3.4.23.15 (renin) inhibitor; peptidomimetic; vasodilator agent
s-nitroso-n-acetylpenicillamine	[no description available]	low	0	0	nitroso compound; nitrosothio compound	nitric oxide donor; vasodilator agent
u 62840	[no description available]	low	0	0	carbotricyclic compound; carboxylic acid	antihypertensive agent; cardiovascular drug; human blood serum metabolite; platelet aggregation inhibitor; vasodilator agent; vitamin K antagonist
jwh-133	[no description available]	medium	0	0	benzochromene; dibenzopyran; organic heterotricyclic compound	analgesic; anti-inflammatory agent; antineoplastic agent; apoptosis inhibitor; CB2 receptor agonist; opioid analgesic; vasodilator agent
triacsin c	[no description available]	low	0	0	hydrazone; nitroso compound; olefinic compound	antimalarial; apoptosis inhibitor; bacterial metabolite; EC 3.1.1.64 (retinoid isomerohydrolase) inhibitor; EC 6.2.1.3 (long-chain-fatty-acid--CoA ligase) inhibitor; vasodilator agent
s-nitrosocysteine	[no description available]	low	0	0	L-cysteine derivative; nitrosothio compound	hematologic agent; platelet aggregation inhibitor; vasodilator agent
bay 58-2667	[no description available]	low	0	0	aromatic ether; benzoic acids; dicarboxylic acid; tertiary amino compound	antihypertensive agent; soluble guanylate cyclase activator; vasodilator agent
avanafil	[no description available]	low	0	0	aromatic amide; monocarboxylic acid amide; organochlorine compound; prolinols; pyrimidines	EC 3.1.4.* (phosphoric diester hydrolase) inhibitor; vasodilator agent
selexipag	[no description available]	low	0	0	aromatic amine; ether; monocarboxylic acid amide; N-sulfonylcarboxamide; pyrazines; tertiary amino compound	orphan drug; platelet aggregation inhibitor; prodrug; prostacyclin receptor agonist; vasodilator agent
mre 269	[no description available]	low	0	0	aromatic amine; ether; monocarboxylic acid; pyrazines; sulfonamide; tertiary amino compound	drug metabolite; orphan drug; platelet aggregation inhibitor; prostacyclin receptor agonist; vasodilator agent
n-arachidonoyl l-serine	[no description available]	low	0	0	N-(fatty acyl)-L-alpha-amino acid	cannabinoid receptor agonist; mammalian metabolite; neuroprotective agent; pro-angiogenic agent; vasodilator agent
bay 60-4552	[no description available]	low	0	0	aminopyrimidine; carbamate ester; monofluorobenzenes; pyrazolopyridine	antihypertensive agent; drug metabolite; soluble guanylate cyclase activator; vasodilator agent
beraprost sodium	[no description available]	low	0	0	organic sodium salt	anti-inflammatory agent; antihypertensive agent; platelet aggregation inhibitor; prostaglandin receptor agonist; vasodilator agent
vericiguat	[no description available]	low	0	0	aminopyrimidine; carbamate ester; organofluorine compound; pyrazolopyridine	antihypertensive agent; soluble guanylate cyclase activator; vasodilator agent
praliciguat	[no description available]	low	0	0	aminopyrimidine; isoxazoles; monofluorobenzenes; organofluorine compound; pyrazoles; secondary amino compound; tertiary alcohol	anti-inflammatory agent; antihypertensive agent; soluble guanylate cyclase activator; vasodilator agent
vardenafil	[no description available]	low	0	0	imidazotriazine; N-alkylpiperazine; N-sulfonylpiperazine	EC 3.1.4.* (phosphoric diester hydrolase) inhibitor; vasodilator agent
sildenafil citrate	[no description available]	low	0	0	citrate salt	EC 3.1.4.35 (3',5'-cyclic-GMP phosphodiesterase) inhibitor; vasodilator agent
mirodenafil	[no description available]	low	0	0	aromatic ether; N-alkylpiperazine; primary alcohol; pyrrolopyrimidine; sulfonamide	EC 3.1.4.35 (3',5'-cyclic-GMP phosphodiesterase) inhibitor; vasodilator agent
enprofylline	[no description available]	low	0	0	oxopurine	anti-arrhythmia drug; anti-asthmatic drug; bronchodilator agent; non-steroidal anti-inflammatory drug
azelastine	[no description available]	low	0	0	monochlorobenzenes; phthalazines; tertiary amino compound	anti-allergic agent; anti-asthmatic drug; bronchodilator agent; EC 1.13.11.34 (arachidonate 5-lipoxygenase) inhibitor; H1-receptor antagonist; platelet aggregation inhibitor
clenbuterol	[no description available]	low	0	0	amino alcohol; dichlorobenzene; ethanolamines; primary arylamine; secondary amino compound; substituted aniline	beta-adrenergic agonist; bronchodilator agent; sympathomimetic agent
berotek	[no description available]	low	0	0	resorcinols; secondary alcohol; secondary amino compound	beta-adrenergic agonist; bronchodilator agent; sympathomimetic agent; tocolytic agent
methoxyphenamine	[no description available]	low	0	0	amphetamines	beta-adrenergic agonist; bronchodilator agent
zardaverine	[no description available]	low	0	0	organofluorine compound; pyridazinone	anti-asthmatic drug; bronchodilator agent; EC 3.1.4.* (phosphoric diester hydrolase) inhibitor; peripheral nervous system drug
diphemanil methylsulfate	[no description available]	low	0	0	piperidines; quaternary ammonium salt	bronchodilator agent; muscarinic antagonist; parasympatholytic
pseudoephedrine	[no description available]	low	0	0	phenylethanolamines; secondary alcohol; secondary amino compound	anti-asthmatic drug; bronchodilator agent; central nervous system drug; nasal decongestant; plant metabolite; sympathomimetic agent; vasoconstrictor agent; xenobiotic
colterol	[no description available]	low	0	0	catechols; ethanolamines; secondary alcohol; secondary amino compound; triol	anti-asthmatic drug; beta-adrenergic agonist; bronchodilator agent
bitolterol	[no description available]	low	0	0	carboxylic ester; diester; ethanolamines; secondary alcohol; secondary amino compound	anti-asthmatic drug; beta-adrenergic agonist; bronchodilator agent; prodrug
doxofylline	[no description available]	low	0	0	oxopurine	anti-asthmatic drug; antitussive; bronchodilator agent
azelastine hydrochloride	[no description available]	low	0	0	hydrochloride	anti-allergic agent; anti-asthmatic drug; bronchodilator agent; EC 1.13.11.34 (arachidonate 5-lipoxygenase) inhibitor; H1-receptor antagonist; platelet aggregation inhibitor
bambuterol hydrochloride	[no description available]	low	0	0	carbamate ester; hydrochloride; phenylethanolamines	anti-asthmatic drug; beta-adrenergic agonist; bronchodilator agent; EC 3.1.1.7 (acetylcholinesterase) inhibitor; prodrug; sympathomimetic agent
bambuterol	[no description available]	low	0	0	carbamate ester; phenylethanolamines	anti-asthmatic drug; beta-adrenergic agonist; bronchodilator agent; EC 3.1.1.7 (acetylcholinesterase) inhibitor; prodrug; sympathomimetic agent; tocolytic agent
s-nitrosoglutathione	[no description available]	low	0	0	glutathione derivative; nitrosothio compound	bronchodilator agent; nitric oxide donor; platelet aggregation inhibitor; signalling molecule
rp 73401	[no description available]	low	0	0	aromatic ether; benzamides; chloropyridine; monocarboxylic acid amide	anti-asthmatic drug; anti-inflammatory agent; bronchodilator agent; phosphodiesterase IV inhibitor
arformoterol	[no description available]	low	0	0	N-[2-hydroxy-5-(1-hydroxy-2-{[1-(4-methoxyphenyl)propan-2-yl]amino}ethyl)phenyl]formamide	anti-asthmatic drug; beta-adrenergic agonist; bronchodilator agent
fenoterol	[no description available]	low	0	0	hydrobromide	beta-adrenergic agonist; bronchodilator agent; sympathomimetic agent
indacaterol	[no description available]	low	0	0	indanes; monohydroxyquinoline; quinolone; secondary alcohol; secondary amino compound	beta-adrenergic agonist; bronchodilator agent
vilanterol	[no description available]	low	0	0	benzyl alcohols; dichlorobenzene; ether; phenols; secondary amino compound	beta-adrenergic agonist; bronchodilator agent
olodaterol	[no description available]	low	0	0	aromatic ether; benzoxazine; phenols; secondary alcohol; secondary amino compound	beta-adrenergic agonist; bronchodilator agent
aclidinium bromide	[no description available]	low	0	0	organic bromide salt; quaternary ammonium salt	bronchodilator agent; muscarinic antagonist
matairesinol	[no description available]	low	0	0	gamma-lactone; lignan; polyphenol	angiogenesis inhibitor; anti-asthmatic agent; phytoestrogen; plant metabolite
davidigenin	[no description available]	low	0	0	dihydrochalcones; polyphenol	anti-allergic agent; anti-asthmatic agent; antioxidant; metabolite
oridonin	[no description available]	low	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
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
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
perhexiline	[no description available]	low	0	0	piperidines	cardiovascular drug
zomepirac	[no description available]	low	0	0	aromatic ketone; monocarboxylic acid; monochlorobenzenes; pyrroles	cardiovascular drug; non-steroidal anti-inflammatory drug
4-hydroxyphenylethanol	[no description available]	low	0	0	phenols	anti-arrhythmia drug; antioxidant; cardiovascular drug; fungal metabolite; geroprotector; plant metabolite; protective agent
aica ribonucleotide	[no description available]	low	0	0	1-(phosphoribosyl)imidazolecarboxamide; aminoimidazole	cardiovascular drug; Escherichia coli metabolite; human metabolite; mouse metabolite; plant metabolite; Saccharomyces cerevisiae metabolite
carpaine	[no description available]	low	0	0	alkaloid; macrodiolide	cardiovascular drug; plant metabolite
arginine vasopressin	[no description available]	low	0	0	vasopressin	cardiovascular drug; hematologic agent; mitogen
cilnidipine	[no description available]	low	0	0	2-methoxyethyl ester; C-nitro compound; dihydropyridine	antihypertensive agent; calcium channel blocker; cardiovascular drug
vorapaxar	[no description available]	low	0	0	carbamate ester; lactone; naphthofuran; organofluorine compound; pyridines	cardiovascular drug; platelet aggregation inhibitor; protease-activated receptor-1 antagonist
bl 4162a	[no description available]	low	0	0	imidazoquinazoline	anticoagulant; antifibrinolytic drug; cardiovascular drug; platelet aggregation inhibitor
fluorescite	[no description available]	low	0	0	benzoic acids; cyclic ketone; hydroxy monocarboxylic acid; organic heterotricyclic compound; phenols; xanthene dye	fluorescent dye; radioopaque medium
ketotifen	[no description available]	low	0	0	cyclic ketone; olefinic compound; organic heterotricyclic compound; organosulfur heterocyclic compound; piperidines; tertiary amino compound	anti-asthmatic drug; H1-receptor antagonist
oxolinic acid	[no description available]	low	0	0	aromatic carboxylic acid; organic heterotricyclic compound; oxacycle; quinolinemonocarboxylic acid; quinolone antibiotic	antibacterial drug; antifungal agent; antiinfective agent; antimicrobial agent; enzyme inhibitor
ro 15-4513	[no description available]	low	0	0	organic heterotricyclic compound; organonitrogen heterocyclic compound
benzo(b)naphtho(2,1-d)thiophene	[no description available]	low	0	0	organic heterotricyclic compound; organosulfur heterocyclic compound
kokusaginine	[no description available]	low	0	0	organic heterotricyclic compound; organonitrogen heterocyclic compound; oxacycle
naftalofos	[no description available]	low	0	0	organic heterotricyclic compound	anthelminthic drug
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
ancitabine	[no description available]	low	0	0	diol; organic heterotricyclic compound	antimetabolite; antineoplastic agent; prodrug
1-(3-chloro-5-benzo[b][1]benzoxepinyl)-4-methylpiperazine	[no description available]	low	0	0	N-alkylpiperazine; organic heterotricyclic compound
nedocromil	[no description available]	low	0	0	dicarboxylic acid; organic heterotricyclic compound	anti-allergic agent; anti-asthmatic drug; non-steroidal anti-inflammatory drug
naxagolide	[no description available]	low	0	0	organic heterotricyclic compound; phenols; tertiary amino compound	anticonvulsant; antiparkinson drug; dopamine agonist
depsidone	[no description available]	low	0	0	depsidones; organic heterotricyclic compound
droxicam	[no description available]	low	0	0	organic heterotricyclic compound; pyridines	cyclooxygenase 1 inhibitor; hepatotoxic agent; non-narcotic analgesic; non-steroidal anti-inflammatory drug; platelet aggregation inhibitor; prodrug
flindersiamine	[no description available]	low	0	0	organic heterotricyclic compound; organonitrogen heterocyclic compound; oxacycle
flindersine	[no description available]	low	0	0	organic heterotricyclic compound; organonitrogen heterocyclic compound; oxacycle
maculine	[no description available]	low	0	0	organic heterotricyclic compound; organonitrogen heterocyclic compound; oxacycle
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
alpha-lapachone	[no description available]	low	0	0	organic heterotricyclic compound; organooxygen compound
Evoxine	[no description available]	low	0	0	organic heterotricyclic compound; organonitrogen heterocyclic compound; oxacycle
galaxolide	[no description available]	low	0	0	isochromenes; organic heterotricyclic compound	fragrance
aurofusarin	[no description available]	low	0	0	organic heterotricyclic compound; organooxygen compound
geographutoxin i	[no description available]	low	0	0	organic heterotricyclic compound	marine metabolite
1,9-dideoxyforskolin	[no description available]	low	0	0	acetate ester; labdane diterpenoid; organic heterotricyclic compound	plant metabolite
paspaline	[no description available]	low	0	0	organic heterotricyclic compound; organooxygen compound
salvinorin a	[no description available]	low	0	0	organic heterotricyclic compound; organooxygen compound	metabolite; oneirogen
sch 45752	[no description available]	low	0	0	organic heterotricyclic compound; organooxygen compound
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
mirestrol	[no description available]	low	0	0	organic heterotricyclic compound; organooxygen compound
confertin	[no description available]	low	0	0	cyclic ketone; gamma-lactone; organic heterotricyclic compound; pseudoguaianolide	anti-inflammatory agent; metabolite; plant metabolite
inuviscolide	[no description available]	low	0	0	gamma-lactone; organic heterotricyclic compound; sesquiterpene lactone; tertiary alcohol	anti-inflammatory agent; plant 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
fk 1052	[no description available]	low	0	0	imidazoles; organic heterotricyclic compound	antiemetic; serotonergic antagonist
aromaticin	[no description available]	low	0	0	cyclic ketone; gamma-lactone; organic heterotricyclic compound; sesquiterpene lactone	anti-inflammatory agent; metabolite; plant metabolite
rocaglamide	[no description available]	low	0	0	monocarboxylic acid amide; monomethoxybenzene; organic heterotricyclic compound	antileishmanial agent; antineoplastic agent; metabolite
aglafoline	[no description available]	low	0	0	methyl ester; organic heterotricyclic compound	metabolite; platelet aggregation inhibitor
cimifugin	[no description available]	low	0	0	organic heterotricyclic compound; oxacycle
columbin	[no description available]	low	0	0	organic heterotricyclic compound; organooxygen compound
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
cleomiscosin a	[no description available]	low	0	0	aromatic ether; delta-lactone; organic heterotricyclic compound; phenols; primary alcohol	anti-inflammatory agent; metabolite
reynosin	[no description available]	low	0	0	organic heterotricyclic compound; sesquiterpene lactone	metabolite
5',7'-dimethylspiro[cyclohexane-1,3'-pyrimido[5,4-c][1,2,5]oxadiazine]-6',8'-dione	[no description available]	low	0	0	organic heterotricyclic compound; spiro compound
vedelianin	[no description available]	low	0	0	cyclic ether; organic heterotricyclic compound; resorcinols; stilbenoid	antineoplastic agent; plant metabolite
(2R)-1-[(4,8-dimethoxy-7-furo[2,3-b]quinolinyl)oxy]-3-methylbutane-2,3-diol	[no description available]	low	0	0	organic heterotricyclic compound; organonitrogen heterocyclic compound; oxacycle
acetic acid (11-oxo-6H-benzo[c][1]benzoxepin-2-yl) ester	[no description available]	low	0	0	organic heterotricyclic compound
2-oxo-3-benzo[h][1]benzopyrancarboxylic acid ethyl ester	[no description available]	low	0	0	organic heterotricyclic compound; organooxygen compound
huperzine a	[no description available]	low	0	0	organic heterotricyclic compound; primary amino compound; pyridone; sesquiterpene alkaloid	EC 3.1.1.7 (acetylcholinesterase) inhibitor; neuroprotective agent; nootropic agent; plant metabolite
CHIC-35	[no description available]	low	0	0	aromatic compound; organic heterotricyclic compound; organochlorine compound; primary carboxamide	EC 3.5.1.98 (histone deacetylase) inhibitor
3-imino-2-benzo[f][1]benzopyrancarbothioamide	[no description available]	low	0	0	organic heterotricyclic compound; organooxygen compound
2-benzamido-4,5-dihydrobenzo[g][1]benzothiole-3-carboxamide	[no description available]	low	0	0	organic heterotricyclic compound; organosulfur heterocyclic compound
3-(3-oxo-2-benzo[f][1]benzopyranyl)-1-phenyl-4-pyrazolecarboxaldehyde	[no description available]	low	0	0	organic heterotricyclic compound; organooxygen compound
2-benzo[b][1]benzoxepinamine	[no description available]	low	0	0	organic heterotricyclic compound
LSM-33589	[no description available]	low	0	0	organic heterotricyclic compound; organosulfur heterocyclic compound
2-(difluoromethyl)-4-benzo[h][1]benzopyranone	[no description available]	low	0	0	organic heterotricyclic compound; organooxygen compound
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
momilactone b	[no description available]	low	0	0	organic heterotricyclic compound; organooxygen compound
quinagolide	[no description available]	low	0	0	organic heterotricyclic compound; organonitrogen heterocyclic compound
6,8-difluoro-4-(pyridin-3-yl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline	[no description available]	low	0	0	organic heterotricyclic compound; organofluorine compound; pyridines; secondary amino compound
uccf-029	[no description available]	low	0	0	organic heterotricyclic compound; organooxygen compound
4-[oxo-(4-oxo-5H-thieno[3,2-c]quinolin-2-yl)methyl]-1-piperazinecarboxylic acid ethyl ester	[no description available]	low	0	0	organic heterotricyclic compound; organonitrogen heterocyclic compound; organosulfur heterocyclic compound
[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-(7-methoxy-2-furo[2,3-b]quinolinyl)methanone	[no description available]	low	0	0	organic heterotricyclic compound; organonitrogen heterocyclic compound; oxacycle
1-[(6-methoxy-2-furo[2,3-b]quinolinyl)-oxomethyl]-4-piperidinecarboxylic acid ethyl ester	[no description available]	low	0	0	organic heterotricyclic compound; organonitrogen heterocyclic compound; oxacycle
N-[2-(dipropylamino)ethyl]-4-methyl-2-furo[3,2-c]quinolinecarboxamide	[no description available]	low	0	0	organic heterotricyclic compound; organonitrogen heterocyclic compound; oxacycle
6-methoxy-N-(thiophen-2-ylmethyl)-2-furo[2,3-b]quinolinecarboxamide	[no description available]	low	0	0	organic heterotricyclic compound; organonitrogen heterocyclic compound; oxacycle
LSM-1924	[no description available]	low	0	0	organic heterotricyclic compound; organooxygen compound
LSM-22738	[no description available]	low	0	0	organic heterotricyclic compound; organooxygen compound
7-methoxy-N-(3-pyridinylmethyl)-2-furo[2,3-b]quinolinecarboxamide	[no description available]	low	0	0	organic heterotricyclic compound; organonitrogen heterocyclic compound; oxacycle
LSM-26445	[no description available]	low	0	0	organic heterotricyclic compound; organooxygen compound
LSM-1925	[no description available]	low	0	0	organic heterotricyclic compound; organooxygen compound
acetic acid [1-[(4,8-dimethoxy-7-furo[2,3-b]quinolinyl)oxy]-3-hydroxy-3-methylbutan-2-yl] ester	[no description available]	low	0	0	organic heterotricyclic compound; organonitrogen heterocyclic compound; oxacycle
LSM-25964	[no description available]	low	0	0	organic heterotricyclic compound; organooxygen compound
N-(3-oxo-2-benzo[f][1]benzopyranyl)acetamide	[no description available]	low	0	0	organic heterotricyclic compound; organooxygen compound
chanoclavine	[no description available]	low	0	0	benzoindole; ergot alkaloid; organic heterotricyclic compound; primary alcohol; secondary amino compound
riddelliine	[no description available]	low	0	0	macrodiolide; olefinic compound; organic heterotricyclic compound; pyrrolizine alkaloid	carcinogenic agent; genotoxin; mutagen
irilone	[no description available]	low	0	0	hydroxyisoflavone; organic heterotricyclic compound; oxacycle	antineoplastic agent; immunomodulator; metabolite
5-ethyl-4-oxo-N-(thiophen-2-ylmethyl)-2-thieno[3,2-c]quinolinecarboxamide	[no description available]	low	0	0	organic heterotricyclic compound; organonitrogen heterocyclic compound; organosulfur heterocyclic compound
8-methyl-1-[2-(2-methyl-1-piperidinyl)-2-oxoethyl]-4-[1]benzopyrano[4,3-c]pyrazolone	[no description available]	low	0	0	organic heterotricyclic compound
(3r)-((2,3-dihydro-5-methyl-3-((4-morpholinyl)methyl)pyrrolo-(1,2,3-de)-1,4-benzoxazin-6-yl)(1-naphthalenyl))methanone	[no description available]	low	0	0	morpholines; naphthyl ketone; organic heterotricyclic compound; synthetic cannabinoid	analgesic; apoptosis inhibitor; neuroprotective agent
palonosetron	[no description available]	low	0	0	azabicycloalkane; delta-lactam; organic heterotricyclic compound	antiemetic; serotonergic antagonist
riddelliine n-oxide	[no description available]	low	0	0	diol; macrocyclic lactone; olefinic compound; organic heterotricyclic compound; primary alcohol; pyrrolizine alkaloid; tertiary alcohol; tertiary amine oxide	carcinogenic agent; genotoxin; human xenobiotic metabolite; Jacobaea metabolite; mutagen; rat metabolite
chaetoviridin a	[no description available]	low	0	0	azaphilone; beta-hydroxy ketone; enone; gamma-lactone; organic heterotricyclic compound; organochlorine compound; secondary alcohol	antifungal agent; Chaetomium metabolite
tremortin a	[no description available]	low	0	0	organic heterotricyclic compound; organooxygen compound
4-methyl-N-[(4-methylphenyl)methyl]-2-furo[3,2-c]quinolinecarboxamide	[no description available]	low	0	0	organic heterotricyclic compound; organonitrogen heterocyclic compound; oxacycle
nu 7026	[no description available]	low	0	0	organic heterotricyclic compound; organooxygen compound
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
terpendole e	[no description available]	low	0	0	organic heterotricyclic compound; organooxygen compound
epicocconone	[no description available]	low	0	0	organic heterotricyclic compound	fluorochrome
pentalenolactone f	[no description available]	low	0	0	alpha,beta-unsaturated monocarboxylic acid; organic heterotricyclic compound; sesquiterpene lactone; spiro-epoxide	bacterial metabolite
jnj16259685	[no description available]	low	0	0	organic heterotricyclic compound; organonitrogen heterocyclic compound; oxacycle
episilvestrol	[no description available]	low	0	0	dioxanes; ether; methyl ester; organic heterotricyclic compound	antineoplastic agent; metabolite
silvestrol	[no description available]	low	0	0	dioxanes; ether; methyl ester; organic heterotricyclic compound	antineoplastic agent; metabolite
4-chloro-N-(3,4-dimethoxyphenyl)-2-thieno[3,2-c]quinolinecarboxamide	[no description available]	low	0	0	organic heterotricyclic compound; organonitrogen heterocyclic compound; organosulfur heterocyclic compound
monascin	[no description available]	low	0	0	alpha,beta-unsaturated ketone; gamma-lactone; organic heterotricyclic compound; polyketide	antilipemic drug; antineoplastic agent; fungal metabolite; PPARgamma agonist
batzelladine a	[no description available]	low	0	0	alkaloid; carboxylic ester; guanidines; organic heterotricyclic compound; pyrrolopyrimidine; triazaacenaphthylene	anti-HIV-1 agent; metabolite
prim-o-glucosylcimifugin	[no description available]	low	0	0	organic heterotricyclic compound; oxacycle
4-chloro-N-[3-(3-methyl-1-piperidinyl)propyl]-2-thieno[3,2-c]quinolinecarboxamide	[no description available]	low	0	0	organic heterotricyclic compound; organonitrogen heterocyclic compound; organosulfur heterocyclic compound
schweinfurthin g	[no description available]	low	0	0	cyclic ether; organic heterotricyclic compound; resorcinols; stilbenoid	antineoplastic agent; metabolite
8-methyl-4-oxo-N-[3-(4-propyl-1-piperazinyl)propyl]-5H-thieno[3,2-c]quinoline-2-carboxamide	[no description available]	low	0	0	organic heterotricyclic compound; organonitrogen heterocyclic compound; organosulfur heterocyclic compound
N,8-dimethyl-N-(3-methylphenyl)-4-oxo-5H-thieno[3,2-c]quinoline-2-carboxamide	[no description available]	low	0	0	organic heterotricyclic compound; organonitrogen heterocyclic compound; organosulfur heterocyclic compound
N-[2-(dipropylamino)ethyl]-5-ethyl-4-oxo-2-thieno[3,2-c]quinolinecarboxamide	[no description available]	low	0	0	organic heterotricyclic compound; organonitrogen heterocyclic compound; organosulfur heterocyclic compound
schweinfurthin f	[no description available]	low	0	0	cyclic ether; organic heterotricyclic compound; resorcinols; stilbenoid	metabolite
thallusin	[no description available]	low	0	0	organic heterotricyclic compound; organooxygen compound
aflatrem	[no description available]	low	0	0	organic heterotricyclic compound; organooxygen compound
dihydroagarofuran	[no description available]	low	0	0	bridged compound; cyclic ether; eudesmane sesquiterpenoid; organic heterotricyclic compound	metabolite
4'-epichaetoviridin A	[no description available]	low	0	0	azaphilone; beta-hydroxy ketone; enone; gamma-lactone; organic heterotricyclic compound; organochlorine compound; secondary alcohol	Chaetomium metabolite
arenaemycin e	[no description available]	low	0	0	alpha,beta-unsaturated monocarboxylic acid; organic heterotricyclic compound; sesquiterpene lactone; spiro-epoxide	antimicrobial agent; bacterial metabolite; EC 1.2.1.12 [glyceraldehyde-3-phosphate dehydrogenase (phosphorylating)] inhibitor
mk 2206	[no description available]	low	0	0	organic heterotricyclic compound	EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor
chaetoviridin E	[no description available]	low	0	0	azaphilone; enone; gamma-lactone; organic heterotricyclic compound; organochlorine compound	Chaetomium metabolite
LSM-1873	[no description available]	low	0	0	organic heterotricyclic compound; organooxygen compound
LSM-1834	[no description available]	low	0	0	organic heterotricyclic compound; organooxygen compound
LSM-1287	[no description available]	low	0	0	organic heterotricyclic compound; organooxygen compound
LSM-1675	[no description available]	low	0	0	organic heterotricyclic compound; organooxygen compound
LSM-1312	[no description available]	low	0	0	organic heterotricyclic compound; organooxygen compound
LSM-1315	[no description available]	low	0	0	organic heterotricyclic compound; organooxygen compound
debromoaplysiatoxin	[no description available]	low	0	0	aplysiatoxins; cyclic hemiketal; ether; organic heterotricyclic compound; phenols; secondary alcohol; spiroketal	algal metabolite; carcinogenic agent; cyanotoxin; marine metabolite; protein kinase C agonist
aplysiatoxin	[no description available]	low	0	0	aplysiatoxins; bromophenol; cyclic hemiketal; ether; organic heterotricyclic compound; secondary alcohol; spiroketal	algal metabolite; carcinogenic agent; cyanotoxin; marine metabolite; protein kinase C agonist
gonyautoxin v	[no description available]	low	0	0	organic heterotricyclic compound; paralytic shellfish toxin	marine metabolite
4-hydroxy-6-propan-2-ylpyrano[3,2-c]quinoline-2,5-dione	[no description available]	low	0	0	organic heterotricyclic compound; organonitrogen heterocyclic compound; oxacycle
gsk1265744	[no description available]	low	0	0	difluorobenzene; monocarboxylic acid amide; organic heterotricyclic compound; secondary carboxamide	HIV-1 integrase inhibitor
dolutegravir	[no description available]	low	0	0	difluorobenzene; monocarboxylic acid amide; organic heterotricyclic compound; secondary carboxamide	HIV-1 integrase inhibitor
pelabresib	[no description available]	low	0	0	monochlorobenzenes; organic heterotricyclic compound; primary carboxamide	antineoplastic agent; bromodomain-containing protein 4 inhibitor
gonyautoxin ii	[no description available]	low	0	0	organic heterotricyclic compound; paralytic shellfish toxin	marine metabolite
8-epidiosbulbin e acetate	[no description available]	low	0	0	organic heterotricyclic compound; organooxygen compound
conocurvone	[no description available]	low	0	0	organic heterotricyclic compound; organooxygen compound
scytonemin	[no description available]	low	0	0	enone; organic heterotricyclic compound; organonitrogen heterocyclic compound; polyphenol; ring assembly	bacterial metabolite; biological pigment; ultraviolet filter
liproxstatin-1	[no description available]	low	0	0	azaspiro compound; monochlorobenzenes; organic heterotricyclic compound; secondary amino compound	antioxidant; cardioprotective agent; ferroptosis inhibitor; radical scavenger
ethylene oxide	[no description available]	low	0	0	gas molecular entity; oxacycle; saturated organic heteromonocyclic parent	allergen; mouse metabolite; mutagen
dibenzo(1,4)dioxin	[no description available]	low	0	0	dibenzodioxine; heteranthrene; mancude organic heterotricyclic parent; oxacycle; polycyclic heteroarene
liriodenine	[no description available]	low	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
hematoxylin	[no description available]	low	0	0	organic heterotetracyclic compound; oxacycle; polyphenol; tertiary alcohol	histological dye; plant metabolite
bulbocapnine	[no description available]	low	0	0	aporphine alkaloid; aromatic ether; oxacycle; phenols	EC 1.14.16.2 (tyrosine 3-monooxygenase) inhibitor; EC 1.4.3.22 (diamine oxidase) inhibitor; plant metabolite
carboxin	[no description available]	low	0	0	anilide fungicide; anilide; enamide; organosulfur heterocyclic compound; oxacycle; secondary carboxamide	antifungal agrochemical; EC 1.3.5.1 [succinate dehydrogenase (quinone)] inhibitor
oxycarboxin	[no description available]	low	0	0	anilide fungicide; anilide; organosulfur heterocyclic compound; oxacycle; sulfone	antifungal agrochemical; EC 1.3.5.1 [succinate dehydrogenase (quinone)] inhibitor
acetosulfame	[no description available]	low	0	0	organic heteromonocyclic compound; organonitrogen heterocyclic compound; oxacycle; sulfamate ester	environmental contaminant; sweetening agent; xenobiotic
oxetorone	[no description available]	low	0	0	oxacycle
ep 201	[no description available]	low	0	0	oxacycle
1,4-dioxin	[no description available]	low	0	0	oxacycle
6,6'-bieckol	[no description available]	low	0	0	aromatic ether; oxacycle; phlorotannin	anti-HIV-1 agent; metabolite; radical scavenger
oxirene	[no description available]	low	0	0	mancude organic heteromonocyclic parent; monocyclic heteroarene; oxacycle
anonaine	[no description available]	low	0	0	aporphine alkaloid; organic heteropentacyclic compound; oxacycle	antineoplastic agent; antiplasmodial drug; trypanocidal drug
tripdiolide	[no description available]	low	0	0	oxacycle
pr toxin	[no description available]	low	0	0	oxacycle
rotundifolone	[no description available]	low	0	0	oxacycle
2-methyl-2,3,4,5-tetrahydro-1,5-benzoxazepin-4-one	[no description available]	low	0	0	organonitrogen heterocyclic compound; oxacycle
7-amino-5-(4-ethoxy-3-methoxyphenyl)-4-oxo-3,5-dihydropyrano[2,3-d]pyrimidine-6-carbonitrile	[no description available]	low	0	0	organic heterobicyclic compound; organonitrogen heterocyclic compound; oxacycle
1-[2-(diethylamino)ethyl]-7,7-dimethyl-2-(4-methylphenyl)-5,8-dihydropyrano[4,3-d]pyrimidine-4-thione	[no description available]	low	0	0	organic heterobicyclic compound; organonitrogen heterocyclic compound; oxacycle
3-methyl-6-thiophen-2-yl-4-isoxazolo[5,4-b]pyridinecarboxylic acid ethyl ester	[no description available]	low	0	0	organic heterobicyclic compound; organonitrogen heterocyclic compound; oxacycle
2,3-dihydro-1,4-dioxin-5-carboxylic acid [2-oxo-2-(4-phenylbutan-2-ylamino)ethyl] ester	[no description available]	low	0	0	oxacycle
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
LSM-31277	[no description available]	low	0	0	oxacycle
LSM-31434	[no description available]	low	0	0	oxacycle
pinolidoxin	[no description available]	low	0	0	oxacycle
hemibrevetoxin b	[no description available]	low	0	0	oxacycle
decarestrictine d	[no description available]	low	0	0	oxacycle
muromonab-cd3	[no description available]	low	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
eckstolonol	[no description available]	low	0	0	organic heteropentacyclic compound; oxacycle; phlorotannin	metabolite; radical scavenger
interiotherin b	[no description available]	low	0	0	aromatic ether; fatty acid ester; lignan; organic heteropentacyclic compound; oxacycle	anti-HIV agent; metabolite
mycalamide b	[no description available]	low	0	0	organic heterobicyclic compound; oxacycle
tirandamycin a	[no description available]	low	0	0	oxacycle

Article	Year
Safety and efficacy of intralesional injection of enalapril versus triamcinolone acetonide in the treatment of keloids. Acta dermatovenerologica Alpina, Pannonica, et Adriatica, Volume: 32, Issue: 3	2023
Efficacy and safety of needle-free jet injector-assisted intralesional treatments in dermatology-a systematic review. Drug delivery and translational research, Volume: 13, Issue: 6	2023
Efficacy and Safety of Verapamil Versus Triamcinolone Acetonide in Treating Keloids and Hypertrophic Scars: A Systematic Review and Meta-Analysis. Aesthetic plastic surgery, Volume: 47, Issue: 1	2023
Efficacy and safety of the innovative cold atmospheric-pressure plasma technology in the treatment of keloid: A randomized controlled trial. Journal of cosmetic dermatology, Volume: 21, Issue: 12	2022
Efficacy and safety of thermomechanical fractional injury-assisted corticosteroid delivery versus intralesional corticosteroid injection for the treatment of hypertrophic scars: A randomized split-scar trial. Lasers in surgery and medicine, Volume: 54, Issue: 4	2022
Efficacy and Safety of Contact Cryosurgery in the Treatment of Earlobe Keloids. Skinmed, Volume: 19, Issue: 5	2021
Efficacy and safety of laser combination therapy and laser alone therapy for keloid: a systematic review and meta-analysis. Lasers in medical science, Volume: 37, Issue: 2	2022
Comparative efficacy and safety of verapamil and triamcinolone in keloid and hypertrophic scar treatment: a meta-analysis. Journal of cosmetic and laser therapy : official publication of the European Society for Laser Dermatology, Feb-17, Volume: 23, Issue: 1-2	2021
The safety and efficacy of intralesional triamcinolone acetonide for keloids and hypertrophic scars: A systematic review and meta-analysis. Burns : journal of the International Society for Burn Injuries, Volume: 47, Issue: 5	2021
Hydroxyethyl cellulose hydrogel for skin delivery of khellin loaded in ascosomes: Characterization, in vitro/in vivo performance and acute toxicity. International journal of biological macromolecules, May-15, Volume: 179	2021
Safety assessment of the prophylactic use of silicone gel sheets (Lady Care Journal of obstetrics and gynaecology : the journal of the Institute of Obstetrics and Gynaecology, Volume: 41, Issue: 3	2021
Comparing the Efficacy and Safety of Intralesional Verapamil With Intralesional Triamcinolone Acetonide in Treatment of Hypertrophic Scars and Keloids: A Meta-Analysis of Randomized Controlled Trials. Aesthetic surgery journal, 05-18, Volume: 41, Issue: 6	2021
Comparative evaluation of therapeutic efficacy and safety of intralesional triamcinolone acetonide injection vs intralesional radiofrequency with intralesional triamcinolone acetonide in treatment of keloids. Dermatologic therapy, Volume: 33, Issue: 6	2020
Efficacy and safety of verapamil vs triamcinolone acetonide for keloids and hypertrophic scars: A systematic review and meta-analysis. Dermatologic therapy, Volume: 33, Issue: 4	2020
Efficacy and Safety of Intralesional Triamcinolone Versus Combination of Triamcinolone with 5-Fluorouracil in the Treatment of Keloids and Hypertrophic Scars: A Systematic Review and Meta-analysis. Aesthetic plastic surgery, Volume: 44, Issue: 5	2020
The Safety and Efficacy of Intralesional Verapamil Versus Intralesional Triamcinolone Acetonide for Keloids and Hypertrophic Scars: A Systematic Review and Meta-analysis. Advances in skin & wound care, Volume: 33, Issue: 4	2020
Comparative Efficacy and Safety of Common Therapies in Keloids and Hypertrophic Scars: A Systematic Review and Meta-analysis. Aesthetic plastic surgery, Volume: 44, Issue: 1	2020
Comparison of efficacy and safety of intralesional triamcinolone and combination of triamcinolone with 5-fluorouracil in the treatment of keloids and hypertrophic scars: Randomised control trial. Burns : journal of the International Society for Burn Injuries, Volume: 45, Issue: 1	2019
Highly potent visnagin derivatives inhibit Cyp1 and prevent doxorubicin cardiotoxicity. JCI insight, 01-11, Volume: 3, Issue: 1	2018
Safety and Patient Satisfaction of AbobotulinumtoxinA for Aesthetic Use: A Systematic Review. Aesthetic surgery journal, 05-01, Volume: 37, Issue: suppl_1	2017
Adverse Effects and Surgical Complications in Pediatric Patients Undergoing Vagal Nerve Stimulation for Drug-Resistant Epilepsy. Acta neurochirurgica. Supplement, Volume: 124	2017
Efficacy and safety of triamcinolone acetonide alone and in combination with 5-fluorouracil for treating hypertrophic scars and keloids: a systematic review and meta-analysis. International wound journal, Volume: 14, Issue: 3	2017
Mechanism of Action, Efficacy, and Adverse Events of Calcium Antagonists in Hypertrophic Scars and Keloids: A Systematic Review. Dermatologic surgery : official publication for American Society for Dermatologic Surgery [et al.], Volume: 41, Issue: 12	2015
Adjuvant single-fraction radiotherapy is safe and effective for intractable keloids. Journal of radiation research, Volume: 55, Issue: 5	2014
Addition of novel degenerate electrical waveform stimulation with photodynamic therapy significantly enhances its cytotoxic effect in keloid fibroblasts: first report of a potential combination therapy. Journal of dermatological science, Volume: 64, Issue: 3	2011
Six-month safety results of calcium hydroxylapatite for treatment of nasolabial folds in Fitzpatrick skin types IV to VI. Dermatologic surgery : official publication for American Society for Dermatologic Surgery [et al.], Volume: 35 Suppl 2	2009
[Efficiency and application safety of Cepan cream. Observation of a new indication]. Przeglad lekarski, Volume: 65, Issue: 5	2008
A review of the biologic effects, clinical efficacy, and safety of silicone elastomer sheeting for hypertrophic and keloid scar treatment and management. Dermatologic surgery : official publication for American Society for Dermatologic Surgery [et al.], Volume: 33, Issue: 11	2007
Sphingosine may have cytotoxic effects via apoptosis on the growth of keloid fibroblasts. The Journal of dermatology, Volume: 31, Issue: 1	2004
Efficacy and safety of intralesional 5-fluorouracil in the treatment of keloids. Dermatology (Basel, Switzerland), Volume: 204, Issue: 2	2002
Transtracheal delivery of oxygen: efficacy and safety for long-term continuous therapy. The Annals of otology, rhinology, and laryngology, Volume: 100, Issue: 2	1991
[information is derived through text-mining from research data collected from National Library of Medicine (NLM), extracted Dec-2023]

Article	Year
Efficacy and safety of intralesional 5-fluorouracil in the treatment of keloids. Dermatology (Basel, Switzerland), Volume: 204, Issue: 2	2002
Effect of corticosteroids on collagen synthesis. Surgery, Volume: 82, Issue: 1	1977
[information is derived through text-mining from research data collected from National Library of Medicine (NLM), extracted Dec-2023]

Article	Year
A three-dimensional scar assessment tool for keloid scars: Volume, erythema and melanin quantified. Skin research and technology : official journal of International Society for Bioengineering and the Skin (ISBS) [and] International Society for Digital Imaging of Skin (ISDIS) [and] International Society for Skin Imaging (ISSI), Volume: 27, Issue: 6	2021
Novel Stereoscopic Optical System for Objectively Measuring Above-Surface Scar Volume-First-Time Quantification of Responses to Various Treatment Modalities. Dermatologic surgery : official publication for American Society for Dermatologic Surgery [et al.], Volume: 44, Issue: 6	2018
Three-dimensional imaging for volume measurement of hypertrophic and keloid scars, reliability of a previously validated simplified technique in clinical setting. Skin research and technology : official journal of International Society for Bioengineering and the Skin (ISBS) [and] International Society for Digital Imaging of Skin (ISDIS) [and] International Society for Skin Imaging (ISSI), Volume: 22, Issue: 4	2016
Objective Assessment of the Precision, Accuracy, and Reliability of a Measurement Method for Keloid Scar Volume (PARKS Study). Dermatologic surgery : official publication for American Society for Dermatologic Surgery [et al.], Volume: 41, Issue: 11	2015
A simplified three-dimensional volume measurement technique in keloid scars: Validity and reliability. Journal of plastic, reconstructive & aesthetic surgery : JPRAS, Volume: 68, Issue: 11	2015
Pharmacokinetic evaluation of visnagin and Ammi visnaga aqueous extract after oral administration in rats. Planta medica, Volume: 78, Issue: 17	2012
Nonlinear pharmacokinetics of visnagin in rats after intravenous bolus administration. European journal of pharmaceutical sciences : official journal of the European Federation for Pharmaceutical Sciences, Jan-23, Volume: 45, Issue: 1-2	2012
Radiofrequency tissue volume reduction for treatment of auricle keloids. The Laryngoscope, Volume: 121, Issue: 6	2011
Determination of visnagin in rat plasma by liquid chromatography with tandem mass spectrometry and its application to in vivo pharmacokinetic studies. Journal of chromatography. B, Analytical technologies in the biomedical and life sciences, Mar-01, Volume: 877, Issue: 7	2009
Use of a non-contact 3D digitiser to measure the volume of keloid scars: a useful tool for scar assessment. Journal of plastic, reconstructive & aesthetic surgery : JPRAS, Volume: 60, Issue: 1	2007
[information is derived through text-mining from research data collected from National Library of Medicine (NLM), extracted Dec-2023]

Article	Year
Intralesional Corticosteroid Administration in the Treatment of Keloids: A Scoping Review on Injection Methods. Dermatology (Basel, Switzerland), Volume: 239, Issue: 3	2023
Intralesional corticosteroid administration in the treatment of keloids: a survey among Dutch dermatologists and plastic surgeons. The Journal of dermatological treatment, Volume: 34, Issue: 1	2023
Efficacy of a triamcinolone acetonide-loaded dissolving microneedle patch for the treatment of hypertrophic scars and keloids: a randomized, double-blinded, placebo-controlled split-scar study. Archives of dermatological research, Volume: 315, Issue: 4	2023
Optimizing surgical outcome of auricular keloid with a novel multimodal approach. Scientific reports, 03-03, Volume: 12, Issue: 1	2022
STAT3 signalling pathway is implicated in keloid pathogenesis by preliminary transcriptome and open chromatin analyses. Experimental dermatology, Volume: 28, Issue: 4	2019
[Different effects of simvastatin on keloid fibroblasts under hypoxia and TGF-β1 treatment]. Zhonghua zheng xing wai ke za zhi = Zhonghua zhengxing waike zazhi = Chinese journal of plastic surgery, Volume: 32, Issue: 2	2016
The Cellular Response of Keloids and Hypertrophic Scars to Botulinum Toxin A: A Comprehensive Literature Review. Dermatologic surgery : official publication for American Society for Dermatologic Surgery [et al.], Volume: 44, Issue: 2	2018
Advancing Keloid Treatment: A Novel Multimodal Approach to Ear Keloids. Dermatologic surgery : official publication for American Society for Dermatologic Surgery [et al.], Volume: 43, Issue: 9	2017
High-dose-rate brachytherapy for the treatment of recalcitrant keloids: a unique, effective treatment protocol. Plastic and reconstructive surgery, Volume: 134, Issue: 3	2014
A study of the combination of triamcinolone and 5-fluorouracil in modulating keloid fibroblasts in vitro. Journal of plastic, reconstructive & aesthetic surgery : JPRAS, Volume: 66, Issue: 9	2013
Cellular viability, collagen deposition, and transforming growth factor β1 production among ultraviolet B-irradiated keloid fibroblasts. Aesthetic plastic surgery, Volume: 35, Issue: 6	2011
Dose-effect relationships for recurrence of keloid and pterygium after surgery and radiotherapy. International journal of radiation oncology, biology, physics, May-01, Volume: 74, Issue: 1	2009
Dose-response relationship and dose optimization in radiotherapy of postoperative keloids. Radiotherapy and oncology : journal of the European Society for Therapeutic Radiology and Oncology, Volume: 91, Issue: 2	2009
Flashlamp pulsed-dye laser suppressed TGF-beta1 expression and proliferation in cultured keloid fibroblasts is mediated by MAPK pathway. Lasers in surgery and medicine, Volume: 39, Issue: 4	2007
Prolonged childhood Cushing's syndrome secondary to intralesional triamcinolone acetonide. Annals of tropical paediatrics, Volume: 22, Issue: 1	2002
The effects of a single dose of 5-fluorouracil on keloid scars: a clinical trial of timed wound irrigation after extralesional excision. Plastic and reconstructive surgery, Volume: 108, Issue: 5	2001
Effect of TGF-beta2 on proliferative scar fibroblast cell kinetics. Annals of plastic surgery, Volume: 43, Issue: 2	1999
Regulation of elastin synthesis in pathological states. Ciba Foundation symposium, Volume: 192	1995
Effects of x-irradiation on survival and extracellular matrix gene expression of cultured keloid fibroblasts. Journal of dermatological science, Volume: 8, Issue: 1	1994
HDL-cholesterol increase in normolipaemic subjects on khellin: a pilot study. International journal of clinical pharmacology research, Volume: 3, Issue: 5	1983
[Radiation treatment of benign diseases--indications, results and technic]. Rontgen-Blatter; Zeitschrift fur Rontgen-Technik und medizinisch-wissenschaftliche Photographie, Volume: 39, Issue: 1	1986
Intralesional interferon gamma treatment for keloids and hypertrophic scars. Archives of otolaryngology--head & neck surgery, Volume: 116, Issue: 10	1990
Fibronectin gene transcription is enhanced in abnormal wound healing. The Journal of investigative dermatology, Volume: 99, Issue: 5	1992
Improved high-performance liquid chromatographic determination of khellin and visnagin in Ammi visnaga fruits and pharmaceutical formulations. Journal of pharmaceutical sciences, Volume: 81, Issue: 5	1992
Spectrophotometric determinations of 3-dimethylaminomethylkhellin hydrochloride and khellin. Journal of pharmaceutical sciences, Volume: 67, Issue: 5	1978
[information is derived through text-mining from research data collected from National Library of Medicine (NLM), extracted Dec-2023]

Article	Year
Recurrence rates in the treatment of keloids and hypertrophic scars with intralesional triamcinolone combined with other intralesional agents. Archives of dermatological research, Volume: 315, Issue: 10	2023
Deciphering the single-cell transcriptome network in keloids with intra-lesional injection of triamcinolone acetonide combined with 5-fluorouracil. Frontiers in immunology, Volume: 14	2023
Rare Complication of Massive Depigmentation After Postoperative Treatment of Giant Keloid Combined With Strontium-90. The Journal of craniofacial surgery, Sep-01, Volume: 34, Issue: 6	2023
The Clinical Efficacy of Punch Excision Combined With Intralesional Steroid Injection for Keloid Treatment. Dermatologic surgery : official publication for American Society for Dermatologic Surgery [et al.], 05-01, Volume: 49, Issue: 5S	2023
Laser Combined with Radiotherapy for Keloid Treatment: A Novel and Efficient Comprehensive Therapy with a Lower Recurrence Rate. Plastic and reconstructive surgery, 12-01, Volume: 152, Issue: 6	2023
Surgical excision and skin grafting combined with intralesional injection of triamcinolone for the treatment of keloids after syndactyly release. The Journal of hand surgery, European volume, Volume: 48, Issue: 4	2023
Observation of the clinical efficacy of isotope phosphorus-32 dressing combined with diprospan and mucopolysaccharide polysulphate cream in the treatment of keloids. Journal of cosmetic dermatology, Volume: 21, Issue: 12	2022
The effectiveness of long Pulsed Nd:YAG Laser alone for treatment of keloids and hypertrophic scars versus its combination with bleomycin. Journal of cosmetic dermatology, Volume: 20, Issue: 12	2021
Evaluation of Efficacy of Corticosteroid and Corticosteroid Combined with Botulinum Toxin Type A in the Treatment of Keloid and Hypertrophic Scars: A Meta-Analysis. Aesthetic plastic surgery, Volume: 45, Issue: 6	2021
Individualized surgery combined with radiotherapy and triamcinolone acetonide injection for the treatment of auricular keloids. BMC surgery, May-22, Volume: 21, Issue: 1	2021
Evaluating outcomes of pulsed dye laser therapy combined with intralesional triamcinolone injection after surgical removal of hypertrophic cesarean section scars. Journal of cosmetic dermatology, Volume: 21, Issue: 4	2022
Antiﬁbrotic effects of Hypocrellin A combined with LED red light irradiation on keloid fibroblasts by counteracting the TGF-β/Smad/autophagy/apoptosis signalling pathway. Photodiagnosis and photodynamic therapy, Volume: 34	2021
Cryosurgery as a Single Agent and in Combination with Intralesional Corticosteroids Is Effective on Young, Small Keloids and Induces Characteristic Histological and Immunohistological Changes: A Prospective Randomized Trial. Dermatology (Basel, Switzerland), Volume: 237, Issue: 3	2021
Treatment of keloids using 5-fluorouracil in combination with crystalline triamcinolone acetonide suspension: evaluating therapeutic effects by using non-invasive objective measures. Journal of the European Academy of Dermatology and Venereology : JEADV, Volume: 34, Issue: 10	2020
Multi-stage surgery combined with radiotherapy for treatment of giant anterior chest wall keloid: A case report. Medicine, Volume: 99, Issue: 4	2020
Intralesional triamcinolone alone or in combination with botulinium toxin A is ineffective for the treatment of formed keloid scar: A double blind controlled pilot study. Dermatologic therapy, Volume: 32, Issue: 2	2019
[Effectiveness of internal mammary artery perforator propeller flap repair combined with radiotherapy for chest keloid in female patients]. Zhongguo xiu fu chong jian wai ke za zhi = Zhongguo xiufu chongjian waike zazhi = Chinese journal of reparative and reconstructive surgery, 09-15, Volume: 32, Issue: 9	2018
Efficacy of lentivirus‑mediated Drosophila melanogaster deoxyribonucleoside kinase combined with (E)‑5‑(2‑bromovinyl)‑2'‑deoxyuridine or 1‑β‑D‑arabinofuranosylthymine therapy in human keloid fibroblasts. Molecular medicine reports, Volume: 18, Issue: 2	2018
Lipid nano-bubble combined with ultrasound for anti-keloids therapy. Journal of liposome research, Volume: 28, Issue: 1	2018
Efficacy and safety of triamcinolone acetonide alone and in combination with 5-fluorouracil for treating hypertrophic scars and keloids: a systematic review and meta-analysis. International wound journal, Volume: 14, Issue: 3	2017
Intralesional triamcinolone alone and in combination with 5-fluorouracil for the treatment of keloid and hypertrophic scars. JPMA. The Journal of the Pakistan Medical Association, Volume: 64, Issue: 9	2014
Forty-five cases of chest keloids treated with subcutaneous super-tension-reduction suture combined with postoperative electron-beam irradiation. Dermatologic surgery : official publication for American Society for Dermatologic Surgery [et al.], Volume: 40, Issue: 12	2014
Intralesional cryosurgery combined with topical silicone gel sheeting for the treatment of refractory keloids. Dermatologic surgery : official publication for American Society for Dermatologic Surgery [et al.], Volume: 40, Issue: 9	2014
Early postoperative magnet application combined with hydrocolloid dressing for the treatment of earlobe keloids. Aesthetic plastic surgery, Volume: 37, Issue: 2	2013
[Efficacy of CO2 laser combined with 32P-patch contact brachyradiotherapy for the treatment of keloids]. Zhonghua zheng xing wai ke za zhi = Zhonghua zhengxing waike zazhi = Chinese journal of plastic surgery, Volume: 28, Issue: 4	2012
[information is derived through text-mining from research data collected from National Library of Medicine (NLM), extracted Dec-2023]

khellin

Description

Cross-References

Synonyms (215)

Research Excerpts

Overview

Effects

Roles (4)

Drug Classes (3)

Protein Targets (51)

Potency Measurements

Inhibition Measurements

Biological Processes (281)

Molecular Functions (89)

Ceullar Components (39)

Bioassays (117)

Research

Studies (4,350)

Study Types

Research Highlights

Safety/Toxicity (32)

Long-term Use (2)

Pharmacokinetics (11)

Bioavailability (6)

Dosage (26)

Interactions (28)

Article	Year
Nanostructured Lipid Carriers Can Enhance Oral Absorption of Khellin, a Natural Pleiotropic Molecule. Molecules (Basel, Switzerland), Dec-17, Volume: 26, Issue: 24	2021
Enhancing Biopharmaceutical Attributes of Khellin by Amorphous Binary Solid Dispersions. AAPS PharmSciTech, Oct-27, Volume: 22, Issue: 8	2021
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
Thermodynamic equilibrium solubility measurements in simulated fluids by 96-well plate method in early drug discovery. Bioorganic & medicinal chemistry letters, Apr-01, Volume: 25, Issue: 7	2015
Role of IGF system of mitogens in the induction of fibroblast proliferation by keloid-derived keratinocytes in vitro. American journal of physiology. Cell physiology, Volume: 284, Issue: 4	2003
[information is derived through text-mining from research data collected from National Library of Medicine (NLM), extracted Dec-2023]

khellin

Description

Related Flora

Cross-References

Synonyms (215)

Research Excerpts

Overview

Effects

Roles (4)

Drug Classes (3)

Protein Targets (51)

Potency Measurements

Inhibition Measurements

Biological Processes (281)

Molecular Functions (89)

Ceullar Components (39)

Bioassays (117)

Research

Studies (4,350)

Study Types

Related Drugs (2,483)

Related Conditions (3,906)

Research Highlights

Safety/Toxicity (32)

Long-term Use (2)

Pharmacokinetics (11)

Bioavailability (6)

Dosage (26)

Interactions (28)