f1 class example
0 1.000
chalcogen
selenium-82 atom
1 1.000
cardiolipin
tetrahexadecanoyl cardiolipin
2 1.000
triglyceride
1-tetradecanoyl-2,3-dihexadecanoyl-sn-glycerol
3 1.000
gas molecular entity
perflubutane
4 1.000
polonium atom
polonium-210 atom
5 0.989
triradylglycerol
1-tetradecanoyl-2,3-dihexadecanoyl-sn-glycerol
6 0.984
glycerophosphoinositol
1-linoleoyl-sn-glycero-3-phospho-D-myo-inositol
7 0.982
alkane
2,2,4,4,6,8,8-heptamethylnonane
8 0.981
1,2-diacyl-sn-glycero-3-phosphocholine
1-hexadecanoyl-2-[(5Z,8Z,10E,12S,14Z)-12-hydroxyicosatetraenoyl]-sn-glycero-3-phosphocholine
9 0.977
phosphatidylcholine
1-hexadecanoyl-2-[(5Z,8Z,10E,12S,14Z)-12-hydroxyicosatetraenoyl]-sn-glycero-3-phosphocholine
10 0.974
glycerophosphocholine
1-hexadecanoyl-2-[(5Z,8Z,10E,12S,14Z)-12-hydroxyicosatetraenoyl]-sn-glycero-3-phosphocholine
11 0.962
phosphatidyl-L-serine
1,2-di-(9E-octadecenoyl)-sn-glycero-3-phosphoserine
12 0.958
aliphatic aldoxime
(1E)-2,3,4,5,6-pentahydroxyhexanal oxime
13 0.956
myo-inositol phosphate
1L-myo-inositol 1,2,3,4,6-pentakisphosphate
14 0.952
phosphatidylglycerol
tetrahexadecanoyl cardiolipin
15 0.951
cyanohydrin
glycolonitrile
16 0.948
diglyceride
1,2-didecanoylglycerol
17 0.943
diterpenoid
[(1R,4aS)-1,4a-dimethyl-7-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthren-1-yl]methanamine
18 0.942
wax ester
tetradecyl tetradecanoate
19 0.941
metal atom
calcium-43 atom
20 0.939
phosphatidylinositol
PI(16:0/16:2(9ZZ,12Z))
21 0.933
phosphatidic acid
1,2-dihexanoyl-sn-glycero-3-phosphate
22 0.930
inositol phosphoceramide
N-(2-hydroxyhexacosanoyl)phytosphingosine-1-phospho-(1D-myo-inositol)
23 0.927
phosphatidylethanolamine
eicosanoic acid [(2R)-1-[2-aminoethoxy(hydroxy)phosphoryl]oxy-3-(1-oxopentadecoxy)propan-2-yl] ester
24 0.923
glycerophospholipid
1,2-ditetradecanoyl-sn-glycero-3-cytidine 5'-diphosphate
25 0.914
polyprenol phosphate
2-cis,6-trans,10-trans-geranylgeranyl diphosphate
26 0.909
CDP-diacylglycerol
1,2-ditetradecanoyl-sn-glycero-3-cytidine 5'-diphosphate
27 0.905
carbapenems
tebipenem pivoxil
28 0.904
flavones
wogonin
29 0.902
polychlorinated dibenzodioxines and related compounds
2,2',4,4',5,5'-hexabromobiphenyl
30 0.901
1-monoglyceride
15-methyl-9-hexadecenoic acid 2,3-dihydroxypropyl ester
31 0.887
lipid hydroperoxide
(5S,15S)-5-hydroperoxy-15-HETE
32 0.877
para-terphenyl
Protoleucomelone
33 0.872
aldopentose
alpha-D-arabinofuranose
34 0.865
hopanoid
bacteriohopanetetrol glucosamine
35 0.864
diradylglycerol
1,2-didecanoylglycerol
36 0.859
quaternary ammonium ion
N-oleoyl-(4E,14Z)-sphingadienine-1-phosphocholine
37 0.857
tocol
tocopherol succinate
38 0.856
very long-chain fatty acyl-CoA
2-hydroxyhexacosanoyl-CoA
39 0.854
diol
XV638
40 0.853
polychlorobiphenyl
niclofolan
41 0.850
cholesteryl ester
cholesteryl nonadecanoate
42 0.842
unsaturated fatty acyl-CoA
trans-dec-2-enoyl-CoA
43 0.841
aldose
D-glucose-(13)C6
44 0.840
fatty aldehyde
10-undecenal
45 0.840
2-monoglyceride
2-[(9E,12E,15E)-octadecatrienoyl]glycerol
46 0.830
vitamin D
(3R,6R)-6-[(1R,3aS,7aR)-4-[2-[(5S)-5-hydroxy-2-methylenecyclohexylidene]ethylidene]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]-2-methylheptane-2,3-diol
47 0.829
icosanoid
7-[(1R,2R,3R,5S)-2-[(3R)-4-(3-chlorophenoxy)-3-hydroxybut-1-enyl]-3,5-dihydroxycyclopentyl]-5-heptenoic acid
48 0.821
3-oxo-fatty acyl-CoA(4-)
3-oxoisohexanoyl-CoA(4-)
49 0.820
monoacylglycerol
15-methyl-9-hexadecenoic acid 2,3-dihydroxypropyl ester
50 0.818
monoacyl-sn-glycerol 3-phosphate
1-[(1Z)-octadecenyl]-2-oleoyl-sn-glycero-3-phosphate
51 0.818
tetrachlorobenzene
2,3,4,5-tetrachlorophenol
52 0.818
chlorophyll
8,12-diethyl-3-vinylbacteriochlorophyllide d
53 0.816
2-hydroxy fatty acid
cis-2-hydroxypenta-2,4-dienoic acid
54 0.816
monoradylglycerol
15-methyl-9-hexadecenoic acid 2,3-dihydroxypropyl ester
55 0.812
lysophosphatidic acids
(S,S)-bis-(3-oleoylglycero)-1-phosphate
56 0.810
penicillin
clometocillin
57 0.807
fatty alcohol
10-undecen-1-ol
58 0.805
monocarboxylic acid anion
(R)-3-[(R)-3-hydroxybutanoyloxy]butanoate
59 0.805
sphingomyelin
N-oleoyl-(4E,14Z)-sphingadienine-1-phosphocholine
60 0.800
carotenoid
alpha-cryptoxanthin
61 0.794
phosphatidylinositol phosphate
D-myo-Ins(1,4,5)P3 hexakis(butyryloxymethyl) ester
62 0.781
tetraterpenoid
alpha-cryptoxanthin
63 0.779
long-chain fatty acid
(9Z,11E,13E)-octadeca-9,11,13-trienoic acid
64 0.777
wax
tetradecyl tetradecanoate
65 0.777
chalcones
1-(5-chloro-2-hydroxyphenyl)-3-[4-(dimethylamino)phenyl]-2-propen-1-one
66 0.774
aldoxime
8,8-dimethyl-2,9-dioxo-10H-pyrano[2,3-f][1]benzopyran-10-carboxaldehyde oxime
67 0.772
N-hydroxy-alpha-amino-acid
N,N-dihydroxy-L-tyrosine
68 0.772
cation
Ro 48-8071(1+)
69 0.771
1-O-acylglycerophosphoethanolamine
1-icosanoyl-sn-glycero-3-phosphoethanolamine
70 0.767
2-oxo monocarboxylic acid anion
2,5-didehydro-D-gluconate
71 0.767
epoxy fatty acid
(13S,14S)-epoxy-(4Z,7Z,9E,11E,16Z,19Z)-docosahexaenoic acid
72 0.766
O-acyl-L-carnitine
(5E)-tetradecenoyl-L-carnitine
73 0.765
phosphoinositide
D-myo-Ins(1,4,5)P3 hexakis(butyryloxymethyl) ester
74 0.763
3-hydroxy fatty acyl-CoA(4-)
(R)-3-hydroxypentanoyl-CoA(4-)
75 0.759
macrolide
zearalenone
76 0.750
beta-lactam
3-(carbamoyloxymethyl)-7-[[2-(2-furanyl)-2-methoxyimino-1-oxoethyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
77 0.738
mononitrophenol
2-nitrophenol
78 0.735
alkene
8-methyl-1-undecene
79 0.735
quinic acid
1-O-caffeoylquinic acid
80 0.735
omega-hydroxy fatty acid
12,18-dihydroxyoctadecanoic acid
81 0.730
polysaccharide
beta-D-Glc-(1->3)-beta-D-Glc-(1->3)-beta-D-Glc-(1->3)-beta-D-Glc-(1->3)-[beta-D-Glc-(1->6)-beta-D-Glc-(1->6)-beta-D-Glc-(1->6)-beta-D-Glc-(1->6)-beta-D-Glc-(1->6)]-beta-D-Glc-(1->3)-beta-D-Glc-(1->3)-beta-D-Glc-(1->3)-beta-D-Glc-(1->3)-beta-D-Glc
82 0.728
anthocyanidin cation
pelargonin
83 0.727
ubiquinones
Coenzyme Q4
84 0.725
beta-lactam antibiotic
3-(carbamoyloxymethyl)-7-[[2-(2-furanyl)-2-methoxyimino-1-oxoethyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
85 0.725
sulfolipid
3-O-hydroxyphthioceranoyl-2-O-stearoyl-2'-O-sulfo-alpha,alpha-trehalose
86 0.725
straight-chain saturated fatty acid
1-hexadecanoyl-2-methyl-sn-glycero-3-phosphocholine
87 0.721
fatty acid
Wyerone
88 0.721
glucosinolate
3-benzoyloxypropyl glucosinolate
89 0.719
sphingomyelin d18:1
N-pentacosanoylsphingosine-1-phosphocholine
90 0.718
nucleoside phosphate
XDP
91 0.709
polyunsaturated fatty acid
(9Z,11E,13E)-octadeca-9,11,13-trienoic acid
92 0.707
3-oxo-fatty acyl-CoA
acetoacetyl-CoA
93 0.707
bisbenzylisoquinoline alkaloid
(+)-Atherospermoline
94 0.703
nucleoside
zalcitabine
95 0.702
trichlorobenzene
4-hydroxychlorothalonil
96 0.700
steroid
withanolide D
97 0.699
germacranolide
epi-tulipinolide
98 0.699
polycyclic arene
naphthalene
99 0.697
cephalosporin
3-(carbamoyloxymethyl)-7-[[2-(2-furanyl)-2-methoxyimino-1-oxoethyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
100 0.689
isothiocyanate
2-isothiocyanatoethyl phosphate
101 0.687
fatty acid anion
(R)-3-hydroxybutyrate
102 0.682
ultra-long-chain fatty acid
(2R)-2-[(1R)-1-hydroxy-16-{(1R,2S)-2-[(17R,18R)-17-methoxy-18-methylhexatriacontyl]cyclopropyl}hexadecyl]hexacosanoic acid
103 0.679
cardiac glycoside
alpha-Antiarin
104 0.667
flavanones
3-[(4-methoxyphenyl)methylidene]-2-phenyl-3,4-dihydro-2H-1-benzopyran-4-one
105 0.667
short-chain fatty acid
2-hydroxy-3-methylpentanoic acid
106 0.667
prenols
all-trans-octaprenol
107 0.666
quinone
beta-lapachone
108 0.652
flavin
10H-phenanthro[9,10-g]pteridine-11,13-dione
109 0.650
alkanethiol
3-methyl-3-sulfanylbutan-1-ol
110 0.647
trienoic fatty acid
(9Z,11E,13E)-octadeca-9,11,13-trienoic acid
111 0.647
hexose
alpha-L-sorbopyranose
112 0.645
catechin
(2R,3S)-2-(3,4-dimethoxyphenyl)-8-iodo-5,7-dimethoxy-3,4-dihydro-2H-1-benzopyran-3-ol
113 0.641
2-oxo monocarboxylic acid
2-dehydro-3-deoxy-D-arabinonic acid
114 0.640
tricarboxylic acid
1,1,1-propanetricarboxylic acid
115 0.640
flavonoids
(-)-medicarpin
116 0.636
fatty acid methyl ester
5-[10-(5-methoxy-1,5-dioxopentyl)-1,7-dioxa-4,10-diazacyclododec-4-yl]-5-oxopentanoic acid methyl ester
117 0.623
branched-chain fatty acyl-CoA
4-methylpentanoyl-CoA
118 0.617
beta-D-glucosiduronate
acetaminophen O-beta-D-glucosiduronate
119 0.602
acyl-CoA
trans-dec-2-enoyl-CoA
120 0.600
N-sulfonylurea
3-[(2-adamantylamino)-oxomethyl]-1-methylsulfonyl-1-pentylurea
121 0.597
monosaccharide
alpha-L-sorbopyranose
122 0.596
pyrimidine deoxyribonucleoside
zalcitabine
123 0.594
corrinoid
cob(II)inamide
124 0.592
2-acyl-1-alkyl-sn-glycero-3-phosphocholine
1-[(9Z)-hexadecenyl]-2-acetyl-sn-glycero-3-phosphocholine
125 0.592
limonoid
Zapoterin
126 0.590
2-hydroxydicarboxylic acid
phosphinomethylisomalic acid
127 0.587
organometalloidal compound
2-Aminoethylarsonate
128 0.579
tertiary amine oxide
3-(2-chloro-10-oxido-10-phenothiazin-10-iumyl)-N,N-dimethyl-1-propanamine
129 0.577
steroid sulfate
2-methoxy-17beta-estradiol 3-sulfate
130 0.572
very long-chain fatty acid
tricosanedioic acid
131 0.571
unsaturated fatty acid
(9Z,11E,13E)-octadeca-9,11,13-trienoic acid
132 0.569
thiosugar
glucoibarin
133 0.565
sulfonamide
N-[(1S,3S,4aS,9aR)-1-(hydroxymethyl)-3-[2-oxo-2-(1-piperidinyl)ethyl]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-3-methoxybenzenesulfonamide
134 0.560
N-acylphytosphingosine
1-O-(6-thio-alpha-D-galactopyranosyl)-N-hexacosanylphytosphingosine
135 0.554
galactosylceramide
beta-D-galactosyl-(1<->1')-N-(docosanoyl)hexadecasphingosine
136 0.553
D-hexose
D-glucose-(13)C6
137 0.552
glycolipid
beta-D-galactosyl-(1->4)-beta-D-glucosyl-(1<->1)-N-oleoylsphingosine
138 0.551
organoiodine compound
3,3',5'-triiodo-L-thyronine
139 0.549
triterpenoid saponin
Yiamoloside B
140 0.540
phenyl acetates
acetylsalicylic acid
141 0.538
dipeptide
N-[(benzyloxy)carbonyl]-L-tyrosyl-N-hydroxy-L-leucinamide
142 0.530
monounsaturated fatty acyl-CoA
trans-dec-2-enoyl-CoA
143 0.524
nitrohydrocarbon
3-(5,8-dinitro-1,3-dioxo-2-benzo[de]isoquinolinyl)benzoic acid
144 0.522
long-chain fatty acyl-CoA(4-)
(5E)-tetradecenoyl-CoA(4-)
145 0.518
octadecadienoic acid
Linoleic acid(d4)
146 0.518
leukotriene
omega-Carboxy-N-acetyl-LTE4
147 0.517
1,2,4-triazines
6-azathymidine 5'-monophosphate
148 0.516
polypeptide
beta-endorphin
149 0.510
aldehyde
2-(2-methyl-4-oxo-3-pyranyl)acetaldehyde
150 0.509
furanocoumarin
3-(3,5-dimethyl-7-oxo-6-furo[3,2-g][1]benzopyranyl)propanoic acid
151 0.507
porphyrins
8,12-diethyl-3-vinylbacteriochlorophyllide d
152 0.507
alpha-amino acid
Vulgaxanthin-I
153 0.504
xanthophyll
alpha-cryptoxanthin
154 0.502
non-proteinogenic amino acid
Vulgaxanthin-I
155 0.495
aliphatic nitrile
volkenin
156 0.490
polyprenol
all-trans-octaprenol
157 0.485
anthoxanthin
wogonin
158 0.485
N-acylsphinganine
1-O-[6-O-(3-phenylpropanoyl)-alpha-D-galactopyranosyl]-N-hexacosanoylsphinganine
159 0.480
amino sugar
N-[(2S,3R,4R,5R,6R)-2-[[(2S,3R,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]-6-[2-[(2R,3S,4R,5R)-5-(2,4-dioxo-1-pyrimidinyl)-3,4-dihydroxy-2-oxolanyl]-2-hydroxyethyl]-4,5-dihydroxy-3-oxanyl]-13-methyltetradecanamide
160 0.478
medium-chain fatty acyl-CoA(4-)
(2E,4Z)-deca-2,4-dienoyl-CoA(4-)
161 0.475
butenolide
alpha-Antiarin
162 0.471
long-chain fatty acyl-CoA
(5E)-tetradecenoyl-CoA
163 0.468
proanthocyanidin
Cinnamtannin A4
164 0.467
macromolecule
beta-endorphin
165 0.466
ceramide
N-henicosanoyl-14-methylhexadecasphingosine
166 0.458
fatty acyl-CoA
trans-dec-2-enoyl-CoA
167 0.456
6-aminopurines
N(6)-carbamoylmethyladenine
168 0.455
carbonate ester
(Z)-hex-3-en-1-yl methyl carbonate
169 0.454
sterol ester
cholesteryl nonadecanoate
170 0.453
4'-hydroxyflavanones
naringenin 7-O-beta-D-glucuronide
171 0.452
steroid saponin
alpha-Chaconine
172 0.450
tetrapeptide
Ac-Tyr-Val-Ala-Asp-7-amino-4-trifluoromethylcoumarin
173 0.450
clavulone
clavirin I
174 0.446
thiol
2-methoxy-4-(methylthio)-N-pyridin-4-ylbenzamide
175 0.444
mineral nutrient
iron(3+) phosphate
176 0.444
triterpenoid
Yamogenin
177 0.442
long-chain fatty alcohol
13-tetradecen-2,4-diyn-1-ol
178 0.441
butyrate ester
2-methylbutyl butanoate
179 0.437
oligosaccharide
sophorose
180 0.435
amino acid
Vulgaxanthin-I
181 0.433
hydroxy fatty acid
cis-2-hydroxypenta-2,4-dienoic acid
182 0.428
organochlorine compound
N-[(4-chlorophenyl)methyl]-2-[(2S,3R,6R)-2-(hydroxymethyl)-3-[(2-methoxy-1-oxoethyl)amino]-3,6-dihydro-2H-pyran-6-yl]acetamide
183 0.422
oligopeptide
N-[(benzyloxy)carbonyl]-L-tyrosyl-N-hydroxy-L-leucinamide
184 0.421
alditol
volemitol
185 0.418
monounsaturated fatty acid
(9E)-tetradecenoic acid
186 0.417
alkanesulfonate oxoanion
N-dodecanoyltaurine(1-)
187 0.417
gamma-lactone
zaluzanin C
188 0.417
alpha-amino-acid zwitterion
isonocardicin C dizwitterion
189 0.414
3-hydroxy fatty acyl-CoA
3-hydroxy-3-methylglutaryl-CoA
190 0.414
ganglioside
ganglioside GM2 (20:0)
191 0.412
flavonols
quercetin 7,4'-di-O-beta-D-glucoside
192 0.408
sesquiterpenoid
deoxynivalenol
193 0.408
cyclohexenones
2-methyl-5-oxo-4-thiophen-2-yl-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylic acid propyl ester
194 0.399
alpha-amino acid ester
(2R,3R,3aS,9bS)-7-(2-fluorophenyl)-3-(hydroxymethyl)-6-oxo-1-(pyridin-4-ylmethyl)-3,3a,4,9b-tetrahydro-2H-pyrrolo[2,3-a]indolizine-2-carboxylic acid methyl ester
195 0.399
withanolide
withanolide D
196 0.397
11,12-saturated fatty acyl-CoA(4-)
2-hydroxyhexacosanoyl-CoA(4-)
197 0.396
octanoate ester
all-trans-retinyl octanoate
198 0.391
disaccharide
sophorose
199 0.388
isoflavonoid
wighteone
200 0.387
prenylquinone
8-methylmenaquinone-6
201 0.386
3'-hydroxyflavanones
2,3-dihydrogossypetin
202 0.384
saturated fatty acid
12-methylpentadecanoic acid
203 0.383
carbamate ester
zafirlukast
204 0.383
epoxide
deoxynivalenol
205 0.381
nitrile
(3R)-2-[(R)-tert-butylsulfinyl]-4-[3-(4-cyanophenyl)phenyl]-3-(2-hydroxyethyl)-N-[2-(1-pyrrolidinyl)ethyl]-1,3-dihydropyrrolo[3,4-c]pyridine-6-carboxamide
206 0.380
dicarboxylic acid
(3S)-3-hydroxy-L-aspartic acid
207 0.373
N-acetyl-amino acid
N-acetyl-L-phosphinothricin
208 0.373
azole
LSM-11492
209 0.369
dodecanoate ester
lipid A (E. coli)
210 0.364
dihydroflavonols
(2S,3S)-3,5,7-Trihydroxy-2-(4-hydroxyphenyl)-2,3-dihydro-4H-chromen-4-one
211 0.356
B vitamin
5,10-methylenetetrahydrofolate(2-)
212 0.355
organohalogen compound
2-[(3R,6aR,8R,10aR)-1-[(4-fluorophenyl)-oxomethyl]-3-hydroxy-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-1-(1-piperidinyl)ethanone
213 0.350
flavonoid
wogonin
214 0.349
L-alpha-amino acid
LSM-11903
215 0.347
organofluorine compound
2-[(3R,6aS,8R,10aS)-3-hydroxy-1-(1-oxopropyl)-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-[(3,5-difluorophenyl)methyl]acetamide
216 0.346
medium-chain fatty acyl-CoA
trans-dec-2-enoyl-CoA
217 0.344
polypyrrole
8,12-diethyl-3-vinylbacteriochlorophyllide d
218 0.343
UDP-sugar
UDP-alpha-D-glucosamine
219 0.341
glycosphingolipid
beta-D-galactosyl-(1->4)-beta-D-glucosyl-(1<->1)-N-oleoylsphingosine
220 0.340
secondary ammonium ion
diethylammonium
221 0.338
oxo fatty acid
18-oxoresolvin E1
222 0.338
olefinic fatty acid
(9Z,11E,13E)-octadeca-9,11,13-trienoic acid
223 0.336
pterocarpans
(-)-medicarpin
224 0.336
organobromine compound
Ro 48-8071
225 0.335
beta-carbolines
LSM-16248
226 0.335
sphingoid
heptadecasphinganine
227 0.328
arenecarbaldehyde
demethylzeylasteral
228 0.326
pyrroline
2-(4-fluorophenyl)-4-(4-methoxyanilino)-1-(4-methoxyphenyl)-2H-pyrrol-5-one
229 0.301
hydroxynaphthoquinone
rifamycin SV ortho-naphthoquinone carboxamide(2-)
230 0.300
decanoate ester
1,2-didecanoylglycerol
231 0.299
3-oxo steroid
androsta-1,4,6-triene-3,17-dione
232 0.297
essential fatty acid
arachidonic acid
233 0.295
catecholamine
(-)-alpha-Methylnoradrenaline
234 0.295
bile acid
muricholic acids
235 0.289
17alpha-hydroxy steroid
prednisolone succinate
236 0.283
nucleoside 5'-phosphate
XDP
237 0.279
ribonucleoside
5'-deoxy-5'-fluoroadenosine
238 0.272
spiroketal
nocamycin I
239 0.267
ether lipid
(S)-1,2-di-O-dodecanylglycero-3-glutaric acid 6'-methylresorufin ester
240 0.267
organic sulfide
N,N-dimethyl-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)thio]ethanamine
241 0.264
N-acylglycine
p-aminohippuric acid
242 0.263
polyamine
1-[[4-anilino-6-(1-piperidinyl)-1,3,5-triazin-2-yl]amino]-3-cyclohexylthiourea
243 0.258
monoterpenoid
alpha-santalol
244 0.257
tannin
Wuweizisu C
245 0.255
short-chain fatty acyl-CoA
4-methylpentanoyl-CoA
246 0.254
3-substituted propionyl-CoA(4-)
(2E)-2-methylhexenoyl-CoA(4-)
247 0.252
neoflavonoid
6-hydroxy-7,8-dimethoxy-4-phenyl-1-benzopyran-2-one
248 0.250
nonclassic icosanoid
18-oxoresolvin E1
249 0.249
3-hydroxy fatty acid
3-hydroxyheptanoic acid
250 0.246
2-enoyl-CoA
trans-dec-2-enoyl-CoA
251 0.240
acetate ester
diltiazem
252 0.239
monoterpenoid indole alkaloid
vobtusine
253 0.238
primary alcohol
deoxynivalenol
254 0.228
catechols
(-)-alpha-Methylnoradrenaline
255 0.223
secondary alpha-hydroxy ketone
deoxynivalenol
256 0.221
alpha-hydroxy ketone
deoxynivalenol
257 0.216
2'-deoxyribonucleoside 5'-monophosphate
6-azathymidine 5'-monophosphate
258 0.211
mineral
disodium tetraborate decahydrate
259 0.210
fatty amide
LSM-11493
260 0.210
prostaglandin
prostaglandin G1
261 0.208
methyl sulfide
2-methylthio-1,3-benzothiazole
262 0.205
tetradecanoate ester
lipid A (E. coli)
263 0.205
N-acylsphingosine
N-pentacosanoylsphingosine
264 0.205
3-oxo-Delta(4) steroid
androsta-1,4,6-triene-3,17-dione
265 0.201
saccharolipid
3-O-hydroxyphthioceranoyl-2-O-stearoyl-2'-O-sulfo-alpha,alpha-trehalose
266 0.200
enone
deoxynivalenol
267 0.198
secondary alcohol
deoxynivalenol
268 0.198
trans-2-enoyl-CoA
trans-dec-2-enoyl-CoA
269 0.197
nucleotide
XDP
270 0.194
methyl-branched fatty acid
2-propyl-2-pentenoic acid
271 0.189
alkaloid
(+)-Atherospermoline
272 0.184
beta-D-glucosiduronic acid
quercetin-3'-glucuronide
273 0.184
phospho sugar
XDP
274 0.182
hemiaminal
vobtusine
275 0.182
aliphatic alcohol
5,20-diHEPE
276 0.182
iridoid monoterpenoid
secoxyloganin
277 0.180
rotenoid
LSM-21590
278 0.179
tetrahydrofuranone
hexahydrophthalic anhydride
279 0.170
isoflavones
wighteone
280 0.167
1-acyl-sn-glycero-3-phosphoethanolamine
1-icosanoyl-sn-glycero-3-phosphoethanolamine
281 0.164
1-phosphatidyl-1D-myo-inositol
PI(16:0/16:2(9ZZ,12Z))
282 0.158
phenylpropanoid
Visnadin
283 0.156
diketone
[6]-Gingerdione
284 0.156
biflavonoid
theaflavin
285 0.146
polyphenol
wedelolactone
286 0.145
7-hydroxyisoflavones
wighteone
287 0.143
glucosylceramide
beta-D-glucosyl-(1<->1')-N-(docosanoyl)hexadecasphingosine
288 0.143
indole alkaloid
vobasine
289 0.138
3-sn-phosphatidyl-L-serine
1,2-di-(9E-octadecenoyl)-sn-glycero-3-phosphoserine
290 0.135
carboxamidine
A-230 nerve agent
291 0.128
1-acyl-sn-glycero-3-phosphoserine
PS(20:5(5Z,8Z,11Z,14Z,17Z)/0:0)
292 0.128
3beta-hydroxy steroid
(20R,22R)-20,22-dihydroxycholesterol
293 0.124
monoamine
(-)-alpha-Methylnoradrenaline
294 0.123
17beta-hydroxy steroid
1alpha-hydroxytestosterone
295 0.116
tetrasaccharide
alpha-D-Xyl-(1->3)-beta-D-GlcA-(1->3)-alpha-D-Xyl-(1->3)-beta-D-GlcA
296 0.115
2,5-diketopiperazines
desferricoprogen B
297 0.100
nucleobase analogue
6-azathymine
298 0.095
D-glucoside
volkenin
299 0.092
aromatic amino acid
4-(dimethylamino)-N-[1-(3-methoxyphenyl)ethylideneamino]benzamide
300 0.090
lipopeptide
pneumocandin B0
301 0.089
cyclic fatty acid
Wyerone
302 0.086
branched-chain fatty acid
2-propyl-2-pentenoic acid
303 0.086
endocannabinoid
eicosa-5,8,11,14-tetraenoic acid 1,3-dihydroxypropan-2-yl ester
304 0.081
aromatic primary alcohol
triptohypol A
305 0.079
phytosterols
clionasterol
306 0.078
3beta-hydroxy-Delta(5)-steroid
(20R,22R)-20,22-dihydroxycholesterol
307 0.078
volatile organic compound
(E)-2-undecenal
308 0.076
3alpha-hydroxy steroid
3alpha,7alpha-dihydroxy-5beta-cholane-24-sulfonic acid
309 0.070
beta-D-glucoside
volkenin
310 0.068
cucurbitacin
22-Deoxoisocucurbitacin D
311 0.063
3-oxo-Delta(1) steroid
androsta-1,4,6-triene-3,17-dione
312 0.061
amine
2-[(3R,6aR,8S,10aR)-3-hydroxy-1-(pyridin-4-ylmethyl)-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-ethylacetamide
313 0.061
guaiacols
gingerol
314 0.061
sterol
(20R,22R)-20,22-dihydroxycholesterol
315 0.060
anilide
2-[(2S,3S,6R)-2-(hydroxymethyl)-3-[[1-oxo-2-(3-pyridinyl)ethyl]amino]-3,6-dihydro-2H-pyran-6-yl]-N-phenylacetamide
316 0.059
peptide antibiotic
PR-39
317 0.058
proteinogenic amino acid
glycine-d5
318 0.054
polymer
2-hexaprenylphenol
319 0.053
sesterterpenoid
terretonin
320 0.051
lipopolysaccharide
LSM-36656
321 0.042
3-oxo-5alpha-steroid
mesterolone
322 0.042
tripeptide
Z-Val-Ala-Asp(OMe)-CH2F
323 0.041
polar amino acid
cysteine
324 0.033
mucopolysaccharide
N-Demethylansamitocin P-3
325 0.030
N-acyl-L-alpha-amino acid
N-[(4Z,7Z,10Z,13Z,16Z,19Z)-docosahexaenoyl]-L-glutamic acid
326 0.029
11beta-hydroxy steroid
prednisolone succinate
327 0.028
16beta-hydroxy steroid
Batrachotoxinin A
328 0.028
secondary amine
5-(methylamino)-3H-1,3,4-thiadiazole-2-thione
329 0.027
11-oxo steroid
6beta-hydroxycortisone
330 0.027
primary amine
LSM-12804
331 0.025
bile acid conjugate
tauro-beta-muricholic acid
332 0.024
3-oxo-5beta-steroid
7beta-hydroxy-3,12-dioxo-5beta-cholanic acid
333 0.019
lactol
dehydroascorbic acid dimer
334 0.018
glycosaminoglycan
N-Demethylansamitocin P-3
335 0.017
tertiary amine
3-quinuclidinol
336 0.015
aralkylamine
2-[(3R,6aR,8S,10aR)-3-hydroxy-1-(pyridin-4-ylmethyl)-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-ethylacetamide
337 0.011
bioconjugate
(2R)-2-amino-3-[[5-(2-hydroperoxyethyl)-2,3-dihydroxyphenyl]thio]propanoic acid
338 0.009
dihydroagarofuran sesquiterpenoid
wilforine
339 0.007
beta-D-galactoside
methyl 4,6-di-O-acetyl-beta-D-galactoside
340 0.003
cannabinoid
eicosa-5,8,11,14-tetraenoic acid 1,3-dihydroxypropan-2-yl ester
341 0.003
acrovestone
5-hydroxy-7,3',4'-trimethoxy-8-methylisoflavone 5-O-neohesperidoside
342 0.001
semisynthetic derivative
cefalotin