Metabolomics Workbench : NIH Data Repository

Clustering data with hclust algorithm for (Study ST003565)

HILIC NEGATIVE ION MODE (Analysis AN005858)

Metabolite	Structure	F1	F2	F3	F4
2-C-Methyl-D-erythritol 4-phosphate	ME928710	0.03	2.03	0.38	1.89
xi-7-Hydroxyhexadecanedioic acid	ME928985	NA	1.51	0.80	0.70
"2-amino-4-({1-[(carboxymethyl)-C-hydroxycarbonimidoyl]-2-[(2,3-dihydroxy-2-pentyl-1-phenylpropyl)sulfanyl]ethyl}-C-hydroxycarbonimidoyl)butanoic acid"	ME929017	NA	0.89	0.03	1.44
LysoPC(20:3)	ME928600	NA	1.01	0.48	1.16
Phosphoenolpyruvic acid	ME928508	NA	1.16	0.61	1.10
Cys/Cys/Cys/Leu/Trp	ME928837	NA	1.37	0.36	1.27
Cys/Cys/Leu/Met/Trp	ME928899	NA	1.47	0.26	1.27
7-Hydroxymethyl-12-methylbenz[a]anthracene sulfate	ME929092	NA	1.49	0.14	1.09
malyl alpha-D-glucosaminide	ME929115	NA	1.58	0.14	1.28
nhatrangin B	ME928937	1.72	0.29	0.28	NA
2^-Deoxy-5-hydroxymethylcytidine-5^-diphosphate	ME928727	1.34	0.59	0.69	NA
Reduced coenzyme F420	ME928711	1.40	0.58	0.60	NA
Ascorbate	ME928501	1.42	0.59	0.37	NA
Glyceraldehyde 3-phosphate	ME928502	1.33	0.55	0.13	NA
5^-dehydrouridine	ME928934	1.22	NA	0.13	NA
Ureidosuccinic acid	ME928728	1.24	NA	0.04	NA
Ala/Cys/Glu/Met/Met	ME928748	1.33	NA	0.83	0.19
Glu/Lys/Met/Met/Pro	ME928753	1.38	NA	0.73	0.28
Cys/Gly/Lys/Ser/Tyr	ME928763	1.31	NA	0.58	NA
Ile/Trp	ME928764	1.29	NA	0.61	NA
"2-[4-(4-chloro-1,2-diphenylbut-1-en-1-yl)phenoxy]acetaldehyde"	ME928970	1.29	NA	0.61	NA
Asn/Val/Ser/Ser	ME928752	1.29	NA	0.61	NA
Candimine	ME928940	1.26	NA	0.66	NA
Thr/Thr/Ala	ME928760	1.26	NA	0.65	NA
6^^-O-Malonylwistin	ME928573	1.22	NA	0.71	NA
Ala/Lys/Asp/Pro	ME928758	1.23	NA	0.69	NA
"3^-(2^^,3^^-Digalloylglucosyl)-phloroacetophenone"	ME928938	1.32	NA	0.36	NA
Met/Val	ME928761	1.31	NA	0.39	NA
Asp/Asp/Glu/Glu/Pro	ME928751	1.33	NA	0.55	NA
Ala/Ile/Arg/Thr/Tyr	ME928757	1.35	NA	0.53	NA
3-Amino-2-piperidone	ME928935	1.34	NA	0.54	NA
Ala/Asp/Glu/Lys/Tyr	ME928754	1.34	NA	0.54	NA
3-Methylbutyl glucosinolate	ME928939	1.38	NA	0.49	NA
Glu/Ala/Ile	ME928755	1.38	NA	0.50	NA
2-amino-4-({1-[(carboxymethyl)-C-hydroxycarbonimidoyl]-2-{[2-hydroxy-2-methoxy-1-(7-methyl-2-oxo-2H-chromen-6-yl)ethyl]sulfanyl}ethyl}-C-hydroxycarbonimidoyl)butanoic acid	ME928941	1.40	NA	0.47	NA
Ala/Lys/Ser/Ser/Trp	ME928756	1.39	NA	0.48	NA
Asn/Leu/Ser/Tyr	ME928750	1.37	0.16	0.78	NA
Ala/Cys/Asp/Lys/Ser	ME928762	1.14	NA	0.81	NA
Cys/His/Pro/Arg/Thr	ME928759	1.16	NA	0.79	NA
cysteine-adenylate	ME928936	1.16	NA	0.79	NA
Asp/Glu/Ile/Gln/Gln	ME928770	1.60	0.13	1.07	0.13
Leu/Ala/Ala	ME928766	1.70	NA	0.69	0.06
Lys/Gly	ME928844	1.79	0.22	0.73	NA
Ala/Leu/Asn/Gly	ME928768	2.10	0.07	0.78	0.07
Thr/Ala/Pro	ME928749	2.23	0.12	0.85	0.09
glycyl-L-hydroxyproline	ME928864	2.15	0.20	1.06	0.20
Ala/Ala/Asp/Tyr	ME928890	2.13	0.26	0.99	0.25
Ala/Ser	ME928858	2.17	0.22	1.01	0.22
Ureidoisobutyric acid	ME928730	2.16	0.23	0.98	0.24
Asp/Gly/Asn/Asn/Trp	ME928794	2.16	0.32	0.83	0.31
Ala/Gly	ME928773	2.09	0.30	0.93	0.31
"2-C-methyl-D-erythritol-2,4-cyclodiphosphate"	ME929091	2.13	0.31	0.89	0.29
Asp/Thr/Ser/Ser	ME928845	2.15	0.26	0.89	0.31
Val/Thr	ME928901	2.29	0.16	0.95	0.16
Asp/Leu/Ser	ME928875	2.27	0.13	1.04	0.13
Cys/Gln/Gln/Arg/Arg	ME928776	2.34	0.10	1.05	0.08
"(2-hydroxy-2-{9-hydroxy-7-oxo-2H,3H,7H-furo[3,2-g]chromen-2-yl}propoxy)sulfonic acid"	ME928951	2.16	0.17	1.14	0.15
Asp/Lys/Met/Gln/Thr	ME928797	2.24	0.07	1.18	0.08
Thr/Asp	ME928804	2.15	0.42	0.68	0.37
"4,5-Dihydroorotic acid"	ME928731	2.30	0.30	0.59	0.38
Ala/Cys/Cys/Asp/His	ME928779	2.26	0.30	0.74	0.28
"3,5-Di-O-galloyl-1,4-galactarolactone"	ME929030	2.41	0.40	0.43	0.30
Uridine 5^-monophosphate	ME928742	2.56	0.19	0.56	0.17
Asp/Ile/Arg/Thr/Tyr	ME928786	1.60	0.32	1.51	0.36
Asp/Phe/Phe/Met/Tyr	ME928879	1.36	0.35	1.24	0.36
Imidazoleacetic acid ribotide	ME928462	1.73	0.29	0.95	0.32
Fucose 1-phosphate	ME928506	1.99	0.31	0.97	0.40
Val/Ser	ME928872	1.93	0.37	0.98	0.42
Phe/Asp	ME928853	1.97	0.36	0.99	0.36
Thr/Thr	ME928859	1.96	0.36	0.98	0.39
Asp/Glu/Glu/Thr	ME928919	2.02	0.28	1.08	0.29
"3-(3,4-dimethoxyphenyl)-N-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]prop-2-enimidic acid"	ME928944	2.04	0.30	1.01	0.30
Glu/Leu	ME928893	2.01	0.29	1.02	0.34
Cys/Asp/Phe/His/Arg	ME928817	1.92	0.34	1.10	0.34
Narceine	ME928943	1.98	0.36	1.06	0.28
Ala/Leu/Asp/Gly	ME928774	1.85	0.33	1.18	0.36
deoxypumiloside	ME929042	1.82	0.45	0.99	0.47
Glu/Thr	ME928927	1.84	0.46	0.95	0.46
Arg/Asn/Asp/Cys	ME928795	1.80	0.50	1.02	0.42
Chlorotrianisene	ME928945	1.85	0.49	0.98	0.40
Thr/Ser	ME928910	1.86	0.36	1.12	0.37
Asp/Pro/Ser	ME928907	1.86	0.39	1.08	0.39
Cholic acid	ME928702	1.87	0.39	1.07	0.38
Ala/Cys/Asp/His/Arg	ME928787	1.85	0.37	1.10	0.40
Ile/Ala/Ser	ME928810	1.83	0.39	1.09	0.41
Ala/Glu/Ile/Thr	ME928803	1.87	0.39	1.04	0.41
formyl-isoglutamine	ME928454	1.85	0.41	1.02	0.44
Asp/Asp/Asn/Asn/Asn	ME928771	1.91	0.37	1.03	0.38
Asp/Ser	ME928781	1.90	0.40	1.01	0.39
Pyruvic acid	ME928528	1.89	0.40	1.00	0.41
Thr/Asn	ME928883	1.79	0.41	1.15	0.39
Gly/Ser	ME928789	1.78	0.42	1.07	0.47
Hydantoin-5-propionic acid	ME928456	1.78	0.45	1.05	0.46
Ile/Asp/Gly	ME928792	1.82	0.39	1.07	0.45
Trp/Pro/Tyr	ME928788	1.81	0.43	1.08	0.41
methyl-5^-thioinosine	ME929020	1.48	0.54	1.23	0.59
Ala/Val/Asp/Asp	ME928918	1.46	0.52	1.27	0.60
N-Formimino-L-glutamate	ME928460	1.45	0.54	1.24	0.62
Dihydroclavaminic acid	ME928494	1.51	0.52	1.32	0.49
N-(butyryl)-L-homoserine	ME929059	1.44	0.58	1.32	0.51
alpha-glutamyl-L-hydroxyproline	ME928995	1.42	0.64	1.14	0.66
Chenodeoxyglycocholate	ME928654	1.43	0.66	1.14	0.63
4-O-beta-D-glucosyl-indol-3-yl formamide	ME929089	1.44	0.68	1.13	0.60
Erythronic acid	ME928539	1.46	0.67	1.15	0.57
Ala/Cys/Asp/Glu	ME928800	1.47	0.60	1.12	0.65
Asp/Tyr	ME928807	1.50	0.56	1.13	0.64
Cys/Asp/Gly/Pro/Ser	ME928780	1.48	0.57	1.15	0.64
Ala/Val/Asp/Ser	ME928880	1.52	0.57	1.15	0.59
Glutamic gamma-semialdehyde	ME928465	1.49	0.59	1.19	0.57
Ala/Cys/Cys/Asn/Tyr	ME928843	1.50	0.65	1.01	0.66
Glu/Val/Val	ME928877	1.45	0.68	1.06	0.67
Clavulanate	ME928497	1.54	0.73	1.04	0.51
Ser/Ser/Ser/Thr/Thr	ME928777	1.52	0.69	1.02	0.59
Ala/Asp/Gly	ME928784	1.75	0.51	0.97	0.51
Sedoheptulose 7-phosphate(2-)	ME928525	1.74	0.50	0.98	0.53
Glu/Ala/Ser	ME928923	1.76	0.46	1.00	0.53
PG(34:2)	ME928701	1.74	0.48	1.01	0.52
"a-Amino-2,5-dihydro-5-oxo-4-isoxazolepropanoic acid N2-glucoside"	ME928978	1.68	0.57	1.01	0.52
Glu/Asp/Pro	ME928793	1.72	0.53	1.04	0.46
"3alpha,7alpha-Dihydroxy-12-oxo-5beta-cholanate"	ME929001	1.65	0.52	1.11	0.50
Ala/Gly/Tyr	ME928925	1.66	0.51	1.12	0.49
Ala/Cys/Asp/Met/Met	ME928902	1.70	0.47	1.12	0.48
Bile salt	ME929132	1.67	0.50	1.15	0.46
Orotic acid	ME928734	1.67	0.49	1.15	0.47
Ala/Thr/Val/Ser	ME928791	1.63	0.47	1.25	0.45
Ala/Glu/Ala/Glu	ME928813	1.68	0.45	1.18	0.46
Asp/Glu/Ile/Lys/Pro	ME928895	1.62	0.49	1.19	0.49
gamma-Glutamyl-S-(1-propenyl)cysteine sulfoxide	ME928976	1.63	0.46	1.19	0.51
"2-amino-4-[(2-{[1-carboxy-2-(6,7-dimethoxy-2H-1,3-benzodioxol-5-yl)-2-hydroxyethyl]sulfanyl}-1-[(carboxymethyl)-C-hydroxycarbonimidoyl]ethyl)-C-hydroxycarbonimidoyl]butanoic acid"	ME928958	1.60	0.51	1.05	0.47
"3a,7a-Dihydroxycholanoic acid"	ME928591	1.61	0.57	1.10	0.52
Asn/Gly	ME928862	1.57	0.53	1.16	0.55
Ponatinib	ME928947	1.71	0.50	0.87	0.68
Lys/Arg/Arg/Arg/Arg	ME928929	1.55	0.63	0.94	0.69
NAD stem group	ME928946	1.56	0.58	0.97	0.70
Hymexazol O-glucoside	ME928950	1.55	0.69	0.93	0.65
nicotinamide guanine dinucleotide	ME928956	1.59	0.64	0.90	0.67
PG(35:3)	ME928642	1.61	0.62	0.92	0.65
Asp/Gly	ME928830	1.58	0.58	1.06	0.59
PG(33:1)	ME928676	1.61	0.57	1.01	0.60
PG(35:2)	ME928680	1.67	0.57	0.92	0.62
Asp/Leu	ME928888	1.65	0.61	0.97	0.56
Asn/Asp	ME928783	1.63	0.59	0.96	0.61
N-(4-oxoglutaryl)-L-cysteinylglycine	ME929163	1.63	0.60	0.95	0.61
PG(35:1)	ME928675	1.88	0.47	0.79	0.58
1-Deoxy-D-altro-heptulose 7-phosphate	ME929079	1.67	0.68	0.79	0.65
PA(32:1)	ME928612	1.70	0.72	0.74	0.61
PA(33:1)	ME928592	1.74	0.67	0.74	0.61
Ala/Glu/Glu/Tyr	ME928802	1.77	0.56	0.82	0.58
Sulforhodamine B	ME928964	1.80	0.61	0.74	0.59
Cys/Cys/Cys/Gly/Ser	ME928886	1.86	0.79	0.49	0.57
4^-Phosphopantothenate	ME928726	1.99	0.53	0.65	0.50
LysoPA(16:0)	ME928575	1.96	0.58	0.54	0.60
Oxoglutaric acid	ME928543	1.97	0.60	0.58	0.53
4-Methoxyglucobrassicin	ME928948	1.68	0.27	0.54	0.36
Asp/Ile/Ile/Thr/Thr	ME928765	1.47	0.33	0.81	0.37
Cys/Cys/Met/Met/Met	ME928747	1.59	0.48	0.74	0.44
Citric acid	ME928533	1.39	1.09	0.09	1.30
8-Amino-7-oxononanoate	ME928725	1.07	0.52	1.98	0.41
N-Nonanoylglycine	ME929145	1.19	0.79	1.55	0.40
Acetohydroxamic Acid	ME929128	0.85	0.41	1.46	1.33
3-carboxy-6-(methylsulfanyl)-2-oxohexanoate	ME928993	0.46	0.92	1.83	0.96
Chaetoglobosin A	ME928582	0.67	0.88	1.74	0.82
Nonate	ME929097	0.98	0.72	1.31	1.00
Dimethyl adipate	ME929107	1.03	0.81	1.28	0.87
Ketoleucine	ME928477	0.98	0.84	1.31	0.89
dTDP	ME928740	0.82	0.86	1.48	0.90
Ala/Cys/Asp/Asp/Tyr	ME928909	1.00	0.80	1.46	0.75
Cys/Cys/Cys/His/Thr	ME928885	0.94	0.82	1.42	0.84
Pantetheine 4^-phosphate	ME928713	0.91	0.83	1.50	0.79
Thymidine	ME928741	0.64	1.09	1.28	1.11
"5-(2^-Formylethyl)-4,6-dihydroxypicolinate"	ME928471	0.77	1.05	1.38	0.88
Thymine	ME928735	0.67	0.94	1.54	0.95
Cer(d40:2)	ME928932	1.40	1.09	0.54	0.83
Deoxyribose 5-phosphate	ME928520	1.26	1.08	0.63	0.93
TG(36:0)	ME928655	1.19	1.10	0.61	1.04
"1,2-dibutyrin"	ME928994	1.00	0.86	0.90	1.25
ethyl-(2R)-methyl-(3S)-hydroxybutanoate	ME928980	0.95	0.93	0.93	1.21
"11,12,13-TriHOME"	ME928557	1.01	0.92	0.92	1.15
"5-hydroxy-3-[(3aS,4S,5R,7aS)-7a-methyl-1,5-dioxo-octahydro-1H-inden-4-yl]propanoate"	ME929140	0.98	0.92	0.93	1.18
PS(36:2)	ME928699	0.99	0.94	0.90	1.18
Diethyl adipate	ME929053	1.09	0.94	0.88	1.05
(2-hydroxyethoxy)sulfonic acid	ME929136	1.09	0.98	0.90	1.00
apo-14^-zeta-carotenal	ME929069	1.06	1.01	0.90	0.99
p-aminobenzoyl glutamate	ME929161	1.01	1.08	0.85	1.05
cyclopentanehexanoic acid	ME928585	1.02	1.02	0.87	1.09
Reticuline	ME928496	1.02	1.03	0.93	1.01
Cer(d33:1)	ME928641	1.03	1.01	0.90	1.05
MG(14:1)	ME928574	1.03	1.03	0.89	1.04
DG(11D3/11M3/0:0)	ME929124	1.03	0.88	0.97	1.11
2-Dehydro-3-deoxy-D-glucarate	ME928530	1.07	0.92	0.91	1.08
"N3-fumaramoyl-L-2,3-diaminopropanoate"	ME928952	1.07	0.90	0.92	1.13
xi-3-Hydroxy-5-phenylpentanoic acid O-beta-D-Glucopyranoside	ME929012	1.05	0.91	0.92	1.11
2-Hydroxystearic acid	ME928563	1.03	0.96	0.96	1.04
PC(33:2)	ME928682	1.05	0.95	0.94	1.04
13-cis-Retinal	ME928722	1.01	0.97	0.95	1.07
LacCer(d32:1)	ME928698	1.02	0.99	0.93	1.06
4-hydroxy-tridecanoic acid	ME928669	0.97	0.96	0.94	1.14
Diethyl tartrate	ME929008	0.95	0.98	0.96	1.13
glucosylglycerate	ME929087	0.97	1.00	0.94	1.11
Tetranor-PGF1alpha	ME928583	0.97	1.00	0.97	1.08
Pyrimidine 5^-deoxynucleotide	ME928987	0.93	0.90	1.06	1.13
Thr/Ser/Ser	ME928867	0.92	0.91	1.08	1.12
1-(2-methoxy-eicosanyl)-sn-glycero-3-phosphoserine	ME928981	0.92	0.94	1.07	1.09
Ethylene brassylate	ME928960	0.93	0.95	1.04	1.11
"2,3,6-Trihydroxypyridine"	ME928717	0.92	0.95	0.99	1.16
4-Hydroxyhexan-3-one	ME929148	0.92	0.90	1.02	1.18
2-chloro-2-iodoacetamide	ME928688	0.95	0.94	1.10	1.04
FA (19:1)	ME928657	0.94	0.98	1.09	1.00
"(1R,3R,3^S*)-1,2,3,4-Tetrahydro-1-(2-thio-3-pyrrolidinyl)-beta-carboline-3-carboxylic acid"	ME929095	0.89	0.97	1.11	1.07
"2,3-Diaminosalicylic acid"	ME929021	0.93	0.98	1.06	1.05
Fluocinolone	ME928990	0.90	0.99	1.06	1.08
Asn/Met/Asp/Gln	ME928868	1.02	0.91	1.02	1.04
hexafluorophosphate	ME929002	1.02	0.89	1.05	1.03
Galacto-2-heptulose	ME928554	0.95	0.96	1.03	1.07
Hydrogen phosphate	ME928556	0.97	0.97	1.03	1.03
3-Isopropenyl-6-oxoheptanoate	ME928498	0.97	0.92	1.02	1.10
Ile/Lys/Lys/Ser/Val	ME928860	0.98	0.92	1.06	1.05
Inosine	ME928739	0.98	0.91	1.05	1.07
Cys/Gly/Trp/Trp/Trp	ME928921	0.93	1.01	0.99	1.09
hydroxy-3-(tetradecenoyloxy)-propanoic acid	ME928999	0.93	1.01	1.02	1.06
"2-Deoxy-2,3-dehydro-N-acetylneuraminic acid"	ME929150	0.91	1.04	1.01	1.06
Quinic acid	ME928482	0.90	1.07	1.00	1.06
Lynestrenol	ME929088	0.90	1.04	0.99	1.11
14^-apo-beta-Carotenal	ME929082	0.93	1.05	0.96	1.08
Acetoacetic acid	ME928667	0.90	1.06	0.98	1.09
nocardicin G	ME929123	0.91	1.06	0.97	1.08
TG(49:6)	ME928587	0.87	1.08	1.03	1.06
Ala/Cys/Asp/Asn/Trp	ME928878	0.87	1.06	1.05	1.06
Drotaverine	ME929047	0.88	1.05	1.04	1.07
Proacacipetalin	ME929103	0.89	1.07	1.05	1.02
Asp/Glu/Lys/Lys/Lys	ME928826	0.90	1.05	1.04	1.04
cytidine 5^-{[hydroxy(2-hydroxyethyl)phosphonoyl]phosphate}	ME929096	0.91	1.06	1.03	1.04
Asp/Glu/Arg/Thr/Tyr	ME928851	0.85	1.13	1.06	1.01
glycero-L-galacto-Octulose	ME929130	0.86	1.08	1.06	1.04
PS(O-36:2)	ME928619	0.86	1.10	1.07	1.02
PS(P-34:0)	ME928663	0.92	1.08	0.90	1.11
N-Acetylglutamic acid	ME928491	0.95	1.08	0.90	1.09
Vitamin A	ME928724	0.94	1.09	0.91	1.09
Melatonin glucuronide	ME928988	0.97	1.10	0.91	1.03
N-Acetyl-D-glucosaminate	ME929121	0.97	1.06	0.94	1.05
9-Oxo-nonanoic acid	ME928685	0.95	1.11	1.00	0.96
"2alpha-(3-Hydroxypropyl)-1alpha,25-dihydroxy-19-norvitamin D3"	ME928628	0.93	1.08	1.04	0.97
Tyrosine	ME928489	0.91	1.10	1.03	0.99
Anisatin	ME929010	0.91	1.15	0.98	1.00
Adrenochrome	ME929162	0.92	1.11	0.99	1.00
Ala/Met/Gln/Ser	ME928814	0.91	1.13	0.99	1.00
"11,14,17-Eicosatrienoic acid"	ME928687	0.94	1.11	0.94	1.02
Sarcinic acid	ME928697	0.92	1.14	0.94	1.03
2-Aceto-2-hydroxybutanoic acid	ME928475	0.94	1.14	0.93	1.01
Phe/Lys/Met/Arg/Arg	ME928874	0.93	1.14	0.95	1.01
2-amino-2-deoxy-isochorismate	ME929116	0.96	1.03	0.97	1.06
"2-amino-3,7-dideoxy-D-threo-hept-6-ulosonate"	ME929054	0.97	1.02	0.98	1.03
"Gulono-1,4-lactone"	ME928546	0.96	1.04	0.98	1.03
Secobarbital	ME929156	0.97	1.05	0.99	1.00
"2,7-Anhydro-alpha-N-acetylneuraminic acid"	ME929157	0.95	1.05	0.99	1.02
Adrenic acid	ME928643	0.96	1.06	0.98	1.01
cis-(homo)3aconitate	ME928719	0.93	1.08	1.00	1.01
PS(O-42:2)	ME928689	0.94	1.07	0.98	1.03
Brassicanal B	ME929065	0.96	1.01	1.04	1.02
PE(P-36:4)	ME928629	0.97	1.02	1.01	1.01
2-Octenedioic acid	ME929151	0.98	1.01	1.00	1.02
Apiole	ME929129	0.97	1.00	1.01	1.02
N-Acetyl-S-(N-methylcarbamoyl)cysteine	ME929070	1.00	1.01	0.97	1.02
PE(36:5)	ME928659	0.99	1.02	0.96	1.04
"(2S,4S,6S)-2-[2-(4-Hydroxy-3-meyhoxyphenyl)ethyl]tetrahydro-6-(4,5-dihydroxy-3-methoxyphenyl)-2H-pyran-4-yl 4-acetate"	ME929035	1.02	1.00	0.97	1.00
His/Arg/Arg/Val/Trp	ME928894	1.01	1.02	0.97	1.00
Ala/Ser/Ser/Ser/Thr	ME928846	0.99	1.03	0.98	1.01
Malonic semialdehyde	ME928541	0.99	1.04	0.98	0.99
UDP-glucose	ME928538	1.00	1.03	0.98	0.99
Cer(d41:2)	ME928650	1.00	1.09	0.91	0.99
Myristic acid	ME928566	0.98	1.11	0.94	0.97
Xylose	ME928516	0.98	1.12	0.94	0.96
2-Hydroxymyristic acid	ME928596	1.02	1.07	0.95	0.96
PI(34:1)	ME928638	1.03	1.07	0.96	0.93
Fructose	ME928548	0.97	1.08	0.98	0.98
3-Ethylmalate	ME928531	0.98	1.05	1.00	0.98
LysoPE(18:2)	ME928616	1.00	1.06	0.98	0.97
Ala/Asp/Glu/Lys/Thr	ME928873	0.76	1.07	1.06	1.19
Asn/Met/Cys/Gly	ME928836	0.83	1.03	1.02	1.16
Asn/Ser	ME928855	0.81	1.05	1.08	1.13
Ala/Gln/Tyr/Tyr/Tyr	ME928884	0.70	1.10	1.16	1.14
Ala/Cys/Asp/Ser/Trp	ME928822	0.73	1.13	1.13	1.11
"3,4,5-trihydroxy-6-[(3-methoxy-3-oxopropanoyl)oxy]oxane-2-carboxylic acid"	ME929067	0.74	1.08	1.11	1.16
Ala/Asp/Phe/Ile/Arg	ME928900	0.75	1.11	1.10	1.13
Arg/Ile/Ile/Phe	ME928904	0.79	1.00	1.15	1.14
Asn/Arg/Thr/Thr/Tyr	ME928898	0.73	1.03	1.16	1.17
Succinic acid	ME928550	0.84	1.08	0.95	1.19
Fumarycarnitine	ME929056	0.85	1.04	0.97	1.20
Glycerol tripropanoate	ME928984	0.84	1.06	0.96	1.20
PE(P-36:3)	ME928613	0.86	0.99	0.94	1.26
Plaunol D	ME929118	0.80	1.04	0.99	1.24
5-Hexyltetrahydro-2-oxo-3-furancarboxylic acid	ME929110	0.83	1.00	0.99	1.24
Cys/Asp/Asp/Gly/Pro	ME928847	0.81	0.99	1.01	1.25
Ferruginol	ME929106	0.82	1.11	0.92	1.20
Glutamic acid	ME928493	0.81	1.16	0.90	1.19
Cer(d38:2)	ME928930	0.88	1.11	0.88	1.17
FA dioxo(10:0)	ME928640	0.89	1.07	0.91	1.16
Oxamate	ME929117	0.87	1.11	0.92	1.14
Ethyladipic acid	ME929105	0.91	1.05	0.88	1.19
PS(P-42:1)	ME928690	0.90	1.03	0.94	1.16
Pyruvate oxime	ME929085	0.83	1.20	0.93	1.10
Uridine diphosphate glucuronic acid	ME928504	0.79	1.23	0.98	1.07
Asp/Gly/Tyr/Tyr/Tyr	ME928838	0.83	1.22	0.95	1.06
Docosahexaenoic acid	ME928564	0.81	1.24	0.94	1.06
Ala/Glu/Glu/Gln/Gln	ME928891	0.82	1.22	1.01	1.00
Glu/Phe/Asp/Asp	ME928772	0.91	1.20	0.94	0.99
5-methyl-tetradecanedioic acid	ME928588	0.86	1.20	0.97	1.01
Cys/Cys/His/Gln/Gln	ME928916	0.87	1.20	0.95	1.02
Tricosanoic acid	ME928634	0.82	1.14	0.88	1.10
Arabinonate	ME928529	0.88	1.17	0.94	1.06
Galactinoldihydrate	ME929029	0.86	1.17	0.91	1.10
Ala/Phe/Met/Pro/Arg	ME928842	0.87	1.15	0.93	1.09
Deoxyribose	ME928512	0.88	1.13	0.92	1.10
"8,13-Abietadien-18-oic acid"	ME928683	0.88	1.11	0.99	1.07
Aspartate-semialdehyde	ME928479	0.87	1.10	0.99	1.09
Phyllospadine	ME929127	0.89	1.11	0.95	1.08
Trifluoroacetic acid	ME929135	0.88	1.09	0.95	1.12
4-toluenecarboxylate-adenylate	ME928955	0.89	1.09	0.95	1.10
Methyl jasmonate	ME928627	0.90	1.09	0.94	1.10
Docosapentaenoic acid (22n-3)	ME928694	0.86	1.14	1.01	1.04
Arachidonic acid	ME928568	0.84	1.17	0.97	1.07
1-Stearoylglycerophosphoserine	ME928661	0.85	1.14	0.99	1.07
Flavaprin	ME928598	0.84	1.14	0.98	1.10
Tetracosanoic acid	ME928559	0.78	1.15	1.03	1.10
Ala/Ile/Ile/Gln/Val	ME928825	0.83	1.13	1.05	1.05
Eicosenoic acid	ME928660	0.80	1.13	1.06	1.08
"2-(2-Thienylmethylene)-1,6-dioxaspiro[4.4]non-3-ene"	ME928977	0.82	1.09	1.01	1.09
Galactose	ME928544	0.85	1.09	0.98	1.13
Uplandicine	ME929119	0.82	1.10	1.02	1.13
"3-Glucosyl-2,3^,4,4^,6-pentahydroxybenzophenone"	ME929098	0.82	1.09	0.99	1.15
Asp/Met/Phe/Phe	ME928915	0.80	1.10	1.01	1.15
Mannitol	ME928549	0.83	1.14	0.95	1.14
"Gossypetin 7,4^-dimethyl ether 8-acetate"	ME928608	0.78	1.14	0.97	1.18
"5-O-Methyl-2,3,5/4,6-pentahydroxycyclohexanone"	ME929108	0.80	1.13	1.00	1.14
Cys/Phe/Gly/Asn/Trp	ME928818	0.78	1.15	0.99	1.15
Asp/Asp/Ile/Trp/Tyr	ME928823	0.87	0.92	1.25	1.00
Pseudouridine	ME928733	0.95	0.88	1.21	0.97
Phosphodimethylethanolamine	ME928707	0.94	0.89	1.24	0.95
PI(18:3)	ME928611	0.92	0.91	1.25	0.94
1-(2-methoxy-octadecanyl)-sn-glycero-3-phosphoserine	ME929086	0.84	0.95	1.19	1.07
PI(20:5)	ME928606	0.91	0.99	1.14	0.99
Cys/Cys/Asp/Met/Thr	ME928906	0.88	0.97	1.17	1.03
PS(O-34:1)	ME928693	0.89	0.98	1.15	1.01
peroxysulfate	ME929009	0.86	1.02	1.20	0.97
Cladinose	ME929049	0.89	0.97	1.22	0.95
sinapoyltyramine	ME929080	0.91	0.99	1.19	0.95
potassium dihydrogen phosphate	ME928975	0.99	1.17	1.13	0.72
"2,3-Dihydroxycyclopentaneundecanoic acid"	ME929050	0.92	1.07	1.13	0.91
2-Hydroxydecanoate	ME928602	0.93	1.05	1.10	0.93
Azelaic acid	ME929131	0.87	1.12	1.11	0.95
Undecanedioic acid	ME928625	0.88	1.08	1.15	0.94
Euchrenone b3	ME928609	0.99	1.10	1.02	0.90
1-Oleylglycerol	ME929014	0.94	1.16	1.06	0.85
Ala/Cys/Asp/Glu/Pro	ME928866	0.97	1.14	1.04	0.85
PC(31:3)	ME928674	1.00	0.92	1.17	0.91
Glu/Glu/Glu/Phe/Pro	ME928876	0.99	0.96	1.15	0.90
trans-Aconitic acid	ME928510	0.99	0.96	1.14	0.91
Talbutal	ME928963	1.03	0.95	1.11	0.90
3-Mercaptolactic acid	ME928467	0.99	0.99	1.14	0.88
Glutamate methylester	ME929112	1.01	0.98	1.12	0.88
Arecoline	ME929025	1.03	0.99	1.10	0.88
Botrydial	ME928671	1.01	0.99	1.10	0.90
LysoPG(18:1)	ME928653	1.00	0.99	1.10	0.91
Diethyl oxalpropionate	ME929104	1.01	0.89	1.12	0.97
"3,4,5-trihydroxy-6-(2-{5-hydroxy-8,8-dimethyl-2-oxo-2H,8H-pyrano[2,3-f]chromen-4-yl}phenoxy)oxane-2-carboxylic acid"	ME929033	1.02	0.87	1.16	0.94
Ala/Asp/Asp/Asn/Pro	ME928856	1.04	0.88	1.13	0.93
Asn/Cys/Ser	ME928924	1.03	0.89	1.15	0.93
"(S,E)-Zearalenone"	ME928605	1.05	0.94	1.15	0.85
Asp/Glu/Lys/Thr/Thr	ME928832	1.03	0.90	1.18	0.88
Lactosylceramide (d18:1/12:0)	ME928706	1.04	0.91	1.16	0.86
Nitroethane	ME929113	1.07	0.87	1.16	0.87
Ala/Cys/Thr/Thr/Thr	ME928829	1.10	0.89	1.15	0.82
Ile/Tyr	ME928865	1.09	0.87	1.17	0.84
2-Hydroxyethanesulfonate	ME928469	0.96	1.04	1.05	0.96
Arachidic acid	ME928565	1.04	1.00	1.06	0.90
Pyrophosphate	ME928553	1.04	1.01	1.03	0.90
Xylobiose	ME929003	1.00	0.99	1.06	0.95
4-Heptyloxyphenol	ME929022	1.00	1.02	1.07	0.92
Acetone cyanohydrin	ME928968	0.99	1.04	1.07	0.90
monic acid	ME929045	1.01	1.06	1.01	0.92
3-Propylmalate	ME928521	1.01	1.04	1.02	0.93
2-Keto-glutaramic acid	ME928484	1.00	1.03	1.04	0.93
5beta-Cyprinolsulfate	ME928590	1.00	1.03	1.04	0.93
PC(31:1)	ME928572	1.07	1.07	0.97	0.88
Tridecanoic acid	ME928677	1.09	1.03	0.95	0.90
Cys/Asn/Gln/Arg/Arg	ME928920	1.06	1.04	0.98	0.90
Cer(d34:2)	ME928931	1.05	1.03	0.97	0.94
Metazocine	ME929031	1.06	1.02	0.97	0.92
Glycine	ME928485	1.05	1.03	1.00	0.91
3-Oxotetradecanoic acid	ME928599	1.05	1.02	0.99	0.93
Cer(d36:1)	ME928630	1.04	1.02	1.00	0.93
"2-{[hydroxy(4-hydroxy-3,5-dimethoxyphenyl)methylidene]amino}acetic acid"	ME929139	1.06	0.99	0.95	0.98
4-Octylphenol	ME929077	1.06	0.98	0.98	0.97
2-Hydroxyhexadecanoic acid	ME928647	1.03	1.01	0.98	0.96
erucamide	ME929058	1.02	1.03	0.98	0.96
"2,5-Dioxopentanoate"	ME928540	1.05	0.99	1.00	0.93
nicotinic acid N-oxide	ME929072	1.04	0.99	0.99	0.96
Rishitin	ME929147	1.03	0.99	1.01	0.96
trans-Dodec-2-enoic acid	ME928558	1.03	0.98	1.01	0.97
Trigonelline	ME928721	1.14	0.90	1.11	0.80
2-Aminomuconic acid	ME928464	1.17	0.92	1.05	0.80
Ribose	ME928524	1.16	0.94	1.05	0.80
Asp/His/Met/Pro/Arg	ME928928	1.14	0.90	1.07	0.84
Pyroglutamic acid	ME928488	1.15	0.91	1.07	0.82
5-Methyldeoxycytidine diphosphate	ME929078	1.16	0.90	1.02	0.87
Ala/Thr/Thr/Ala	ME928798	1.15	0.85	1.10	0.85
1-Stearoylglycerophosphoglycerol	ME928700	1.15	0.87	1.07	0.87
Cys/Ile/Ile/Met/Met	ME928824	1.13	0.88	1.06	0.88
Glycerol tributanoate	ME929016	1.16	0.83	1.05	0.90
Ile/Ser/Thr	ME928852	1.17	0.85	1.05	0.88
Indoleacrylic acid	ME929034	1.04	0.94	1.04	0.97
Ethyl 3-oxohexanoate	ME929094	1.06	0.94	1.04	0.94
"3-carboxy-2,3-dihydroxypropanoate"	ME928513	1.06	0.95	1.01	0.97
1-(4-Hydroxy-3-methoxyphenyl)-3-decanone	ME929044	1.07	0.95	1.01	0.95
Amidosulfonic acid	ME929126	1.07	0.93	1.02	0.95
Galactonic acid	ME928552	1.12	0.93	0.99	0.93
Ala/Cys/Gln/Tyr	ME928839	1.11	0.92	1.01	0.92
Orotidine	ME929159	1.13	0.91	1.01	0.91
4-Amino-4-deoxychorismate	ME928723	1.09	0.98	0.96	0.94
3-Oxododecanoic acid	ME928607	1.11	0.96	0.97	0.92
2-amino-4-methylphenol	ME929028	1.08	0.97	0.99	0.93
Gentisyl alcohol	ME929036	1.09	0.97	0.98	0.92
"2,5,6-Trihydroxy-5,6-dihydroquinoline"	ME929041	1.11	0.98	0.98	0.89
2^-hydroxypyridoxol	ME929075	1.14	0.96	0.98	0.87
Alpha-Linolenic acid	ME928695	1.12	0.95	0.99	0.89
Dictyoquinazol C	ME929019	1.07	0.92	1.08	0.90
Cys/Cys/Gly/His/Arg	ME928850	1.09	0.89	1.08	0.92
Uridine triphosphate	ME928729	1.08	0.89	1.09	0.90
"3,7-Dimethyl-8,11-dioxo-dodecatrienal"	ME928617	1.11	0.92	1.11	0.83
N-methylmaleimide	ME929024	1.11	0.94	1.08	0.83
LysoPG(18:2)	ME928636	1.09	0.89	1.12	0.87
Asn/Ile/Ile/Ser	ME928908	1.11	0.91	1.08	0.87
LysoPG(16:0)	ME928691	1.09	0.92	1.10	0.86
Dodecanedioic acid	ME928618	1.09	0.98	1.06	0.84
Sphingosine 1-phosphate	ME928604	1.09	0.97	1.10	0.82
Hydroxypropionic acid	ME928486	1.08	0.98	1.03	0.88
Albomaculine	ME929125	1.09	0.98	1.01	0.89
N-Benzyloxycarbonylglycine	ME929165	1.08	0.99	1.01	0.90
LysoPE(18:3)	ME928580	1.06	0.96	1.06	0.89
4-methylumbelliferyl-beta-D-cellobioside	ME928962	1.09	0.94	1.07	0.87
glutathione sulfinate	ME929134	1.09	0.95	1.05	0.89
N-Acetylanthranilate	ME929122	1.10	0.95	1.04	0.89
2-hydroxytridecanoate	ME928708	1.25	0.79	0.90	0.98
Asp/Met/Asp/Gly	ME928782	1.22	0.80	0.93	0.97
2-Hydroxyundecanoate	ME928656	1.26	0.83	0.87	0.94
Ala/Met/Met/Met	ME928854	1.23	0.87	0.87	0.95
Inositol cyclic phosphate	ME929037	1.16	0.86	0.98	0.93
Asp/Ile/Ile/Met/Trp	ME928905	1.14	0.86	0.99	0.97
hydroxylauric acid	ME928597	1.16	0.86	0.96	0.97
Dopaquinone	ME928473	1.19	0.78	1.05	0.92
"2-{[hydroxy(2,3,4-trimethoxyphenyl)methylidene]amino}acetic acid"	ME929066	1.18	0.81	1.02	0.93
Vitisin B	ME928989	1.16	0.84	1.02	0.92
ancymidol	ME929111	1.06	0.91	0.97	1.04
Dodecanoic acid	ME928567	1.09	0.91	0.96	1.02
2-oxopropane sulfonate	ME929015	1.09	0.92	0.98	0.97
5-Dehydro-4-deoxy-D-glucarate	ME928532	1.12	0.88	0.96	1.00
Sulfoacetaldehyde	ME928481	1.16	0.92	0.93	0.93
"2,5-Dimethyl-1H-pyrrole"	ME929090	1.14	0.93	0.94	0.95
PE(34:3)	ME928639	1.13	0.91	0.95	0.96
N-Acetyl-D-Glucosamine 6-Phosphate	ME928519	1.14	0.95	0.89	0.98
Uridine diphosphate-N-acetylglucosamine	ME928547	1.14	0.98	0.90	0.92
Maleic acid homopolymer	ME928720	0.96	0.72	1.15	1.18
Xanthoxin	ME928500	0.89	0.79	1.14	1.22
FA methyl(8:0)	ME928705	1.09	0.75	1.02	1.11
2-Ethylhexanoic acid	ME928678	1.04	0.76	1.04	1.14
2-Methylhexanoic acid	ME928664	1.00	0.77	1.07	1.15
monolinuron	ME928949	1.07	0.77	1.12	1.01
"(2xi,6xi)-7-Methyl-3-methylene-1,2,6,7-octanetetrol"	ME928961	1.02	0.83	1.13	1.02
Cys/Met/Gly/Pro	ME928767	1.04	0.82	1.09	1.03
3-Succinoylpyridine	ME929023	1.07	0.85	1.06	1.00
PE(38:3)	ME928648	1.09	0.84	1.06	0.99
Capric acid	ME928681	1.12	0.75	1.05	1.03
Linoleic acid	ME928570	1.09	0.78	1.06	1.05
Undecanoic acid	ME928651	1.09	0.80	1.05	1.03
N-23-dihydroxybenzoyl-L-serine	ME928942	1.02	1.31	0.78	0.83
DG(11D3/11M5/0:0)	ME929051	0.97	1.20	0.86	0.97
mandeloylglutathione	ME929076	0.92	1.21	0.87	1.03
PG(40:10)	ME928673	0.88	1.39	0.82	0.95
Ala/Cys/Cys/Met/Met	ME928896	0.78	1.30	0.89	1.10
PI(38:4)	ME928644	0.82	1.33	0.86	1.05
4-Hydroxybenzoic acid	ME928718	1.20	0.90	0.72	1.12
Diketogulonic acid	ME928527	1.17	0.93	0.76	1.08
erythro-L-galacto-Nonulose	ME929004	1.09	1.10	0.86	0.92
1-(sn-Glycero-3-phospho)-myo-inositol	ME929093	1.08	1.10	0.83	0.96
Fructose 6-phosphate	ME928534	1.11	1.07	0.82	0.97
Inosinic acid	ME928745	1.06	1.14	0.68	1.09
Sulfate	ME928743	1.07	1.11	0.71	1.09
6-Phosphogluconic acid	ME928503	1.02	1.13	0.75	1.10
PI(36:2)	ME928684	1.02	1.15	0.78	1.05
Chelirubine	ME928499	1.10	0.99	0.75	1.12
3-hydroxypalmitic acid methyl ester	ME928966	1.04	1.05	0.79	1.10
Formylglutathione	ME928555	1.08	1.05	0.80	1.05
N-Palmitoylsphingosine	ME928933	1.09	1.01	0.80	1.06
Cys/Met/Met/Phe	ME928833	0.97	0.98	0.81	1.25
"Polyethylene, oxidized"	ME928982	1.03	0.98	0.74	1.23
2-Acetolactate	ME928535	0.79	1.12	0.88	1.28
Chlorate	ME929143	0.81	1.17	0.82	1.27
3-Phosphoglyceric acid	ME928507	0.90	1.17	0.70	1.27
Glucuronic acid	ME928517	0.87	1.21	0.74	1.22
Cys/His/Asn/Ser/Ser	ME928863	0.89	1.16	0.81	1.18
acetylglutathione	ME928986	0.94	1.13	0.75	1.20
PS(40:6)	ME928686	0.95	1.16	0.75	1.16
Cys/Ser/His	ME928811	1.23	0.60	1.43	0.66
N-Decanoylglycine	ME929074	1.18	0.74	1.38	0.64
N-Acetyl-L-methionine	ME929166	1.15	0.83	1.31	0.66
Vinylacetylglycine	ME929120	1.11	0.86	1.31	0.68
Ala/Ile/Met/Asn/Arg	ME928785	1.37	0.71	1.25	0.54
Cys/Gly	ME928835	1.33	0.70	1.22	0.64
Taurohyocholate	ME929052	1.29	0.70	1.25	0.66
"2,6-Dihydroxy-N-methylmyosmine"	ME928712	1.21	0.78	1.28	0.66
Ala/Asp/Gly/Tyr	ME928914	1.25	0.75	1.24	0.67
Uridine	ME928737	1.59	0.61	0.82	0.79
P-DPD	ME929142	1.52	0.75	0.77	0.79
Acetylphosphate	ME928461	1.59	0.73	0.75	0.74
CDP-N-dimethylethanolamine	ME928576	1.55	0.80	0.73	0.74
PG(33:2)	ME928620	1.40	0.67	0.90	0.90
Glu/Asp/Phe	ME928775	1.40	0.71	0.93	0.83
"Glyceric acid 1,3-biphosphate"	ME928505	1.42	0.74	0.88	0.83
Muricatenol	ME929013	1.38	0.77	0.88	0.85
LysoPA(18:1)	ME928589	1.44	0.81	0.78	0.81
1-[18-hydroxyoeoyl]-2-[18-hydroxy-linoleoyl]-sn-glycerol	ME929055	1.38	0.81	0.84	0.84
N-Acetylasparagine	ME928972	1.34	0.82	0.86	0.86
PA(38:6)	ME928594	1.48	0.85	0.80	0.71
cis-Aconitic acid	ME928518	1.41	0.80	0.89	0.77
Glu/Ala/Gly	ME928820	1.45	0.82	0.86	0.72
trans-Tetra-dec-2-enoic acid	ME928614	1.45	0.80	0.87	0.74
Cer(d40:1)	ME928626	1.44	0.78	0.94	0.69
1-thio-beta-D-glucose	ME929152	1.45	0.73	0.96	0.71
Asp/Phe/Cys/Gly	ME928831	1.43	0.72	0.96	0.75
PG(37:5)	ME928623	1.45	0.72	0.93	0.75
"cyclopropane phosphatidylglycerol (dihexadec-9,10-cyclo-anoyl, n-C16:0 cyclo)"	ME928996	1.49	0.70	0.96	0.69
Phosphoserine	ME928455	1.46	0.70	0.90	0.69
CDP-Ethanolamine	ME928703	1.47	0.75	0.91	0.71
Formylpyruvate	ME929099	1.48	0.73	0.93	0.70
Asp/Asp/Gly/His/Trp	ME928769	1.52	0.66	0.83	0.70
Malic acid	ME928536	1.52	0.77	0.86	0.67
4-Hydroxyphenylacetaldehyde-oxime	ME928466	1.36	0.88	1.07	0.56
Cys/Cys/His/Asn/Gln	ME928778	1.20	0.86	1.04	0.51
Tridecanoylglycine	ME929039	1.16	0.91	1.14	0.54
Glyceric acid	ME928522	1.22	0.93	0.85	0.93
Mannitol 1-phosphate	ME928542	1.23	0.97	0.83	0.89
Ala/Asp/Asp/Pro	ME928790	1.31	0.93	0.77	0.80
Ribose 5-phosphate	ME928515	1.29	0.98	0.74	0.89
"PC(DiMe(11,3)/MonoMe(11,3))"	ME929071	1.40	0.93	0.88	0.65
Asn/Asp/Cys/Pro	ME928816	1.27	1.02	0.92	0.70
Cidofovir	ME928971	1.30	0.91	0.92	0.76
N-Lignoceroylsphingosine	ME928595	1.31	0.94	0.90	0.75
"{3-[6-(3,4-dihydroxy-6-methyl-5-oxooxan-2-yl)-5,7-dihydroxy-4-oxo-4H-chromen-2-yl]phenyl}oxidanesulfonic acid"	ME929006	1.18	1.06	0.90	0.80
3-Hydroxyanthranilic acid	ME928472	1.22	1.03	0.91	0.76
2-hydroxynonanoic acid	ME928631	1.16	1.02	0.92	0.85
"4-[6,11-dihydroxy-7-(4-hydroxy-3,5-dimethoxyphenyl)-2,8-dioxatricyclo[7.3.1.0,]trideca-1(13),4,6,9,11-pentaen-3-ylidene]cyclohexa-2,5-dien-1-ylidene hydrogen sulfuric acidium"	ME929007	1.22	1.01	0.86	0.84
ferric dicitrate	ME928969	1.21	0.97	0.97	0.79
Ala/Arg/Arg/Tyr/Tyr	ME928870	1.20	0.92	1.04	0.77
Bendiocarb	ME929005	1.19	0.96	1.03	0.76
Longifolonine	ME929149	1.16	0.99	1.07	0.73
PE(30:4)	ME928646	1.14	1.03	0.99	0.80
aldehydo-octose 8-phosphate	ME928954	1.13	1.05	1.03	0.75
Asp/Gly/Pro	ME928841	1.12	1.02	1.05	0.78
Asp/Arg/Ser/Ser/Tyr	ME928857	1.04	0.92	1.24	0.78
Arg/Phe/Phe/His	ME928815	0.99	0.94	1.27	0.80
Miraxanthin-III	ME928974	1.01	0.94	1.23	0.81
Epinephrine sulfate	ME928983	1.15	0.91	1.17	0.72
"8-chloro-6-O-(6""-O-malonyl)-beta-D-glucoside-2-(2-phenylethyl)chromone"	ME929048	1.12	0.92	1.18	0.75
O-Acetylserine	ME928490	1.11	0.90	1.18	0.77
iodovulone I	ME928577	1.15	0.84	1.21	0.75
PI(16:1)	ME928586	1.10	0.86	1.25	0.74
demethyl-phosphinothricin	ME929062	1.14	0.69	1.19	0.93
Adlupone	ME928979	1.14	0.76	1.12	0.94
Alpha-Ketooctanoic acid	ME928666	1.15	0.79	1.12	0.89
Asn/Met/Thr/Gln	ME928821	1.20	0.77	1.19	0.78
Asn/Leu/Gln/Ser	ME928801	1.22	0.77	1.19	0.75
PG(17:0)	ME928621	1.21	0.80	1.18	0.74
Genipin	ME929102	1.19	0.70	1.20	0.84
2-oxobut-3-enanoate	ME929060	1.16	0.75	1.22	0.82
1-Palmitoylglycerophosphoinositol	ME928670	1.14	0.81	1.19	0.81
Asn/Leu/Asn/Asp	ME928806	1.15	0.79	1.19	0.82
FA oxo(7:0)	ME928665	1.13	0.75	1.20	0.88
lesquerolate	ME928581	1.10	0.78	1.25	0.88
Oleoyl-CoA	ME928579	1.41	0.75	1.14	0.56
(+/-)-6-Acetonyldihydrochelerythrine	ME928957	1.38	0.76	1.06	0.59
PG(34:3)	ME928652	1.41	0.75	1.07	0.62
5-Thymidylic acid	ME928744	1.33	0.72	1.12	0.72
2-Amino-4-methylenepentanedioic acid	ME928511	1.33	0.70	1.12	0.74
Ala/Glu/Pro	ME928808	1.33	0.71	1.11	0.74
Ala/Leu/Thr/Ser	ME928913	1.37	0.69	1.13	0.68
"3a,7b,12a-Trihydroxyoxocholanyl-Glycine"	ME929155	1.39	0.71	1.10	0.67
Ile/Met/Met	ME928828	1.39	0.69	1.11	0.68
"alpha,alpha^-Diethyl-4,4^-bis(2-propynyloxy)stilbene"	ME929068	1.33	0.78	1.13	0.65
alpha-Irone	ME929141	1.35	0.76	1.15	0.62
2-Amino-3-carboxymuconic acid semialdehyde	ME928457	1.37	0.80	1.06	0.65
Glu/Thr/Val/Gly	ME928805	1.34	0.79	1.08	0.67
PA(34:1)	ME928610	1.35	0.80	1.07	0.66
Fumaric acid	ME928523	1.36	0.76	1.07	0.69
Phenolsulfonphthalein	ME929171	1.37	0.74	1.08	0.70
Dopamine	ME928487	1.32	0.80	1.07	0.71
Gly/Ser/Tyr	ME928926	1.32	0.76	1.09	0.72
N-Succinyl-L-glutamate	ME928492	1.34	0.77	1.07	0.71
Ala/Asp/Phe/Lys/Lys	ME928848	1.26	0.75	1.14	0.77
Lactic acid	ME928551	1.29	0.79	1.12	0.71
N3-hydroxyethylcytosine	ME929138	1.28	0.77	1.10	0.75
Asn/Met/Pro/Ser	ME928889	1.28	0.83	1.02	0.77
Hericenone C	ME928953	1.28	0.82	1.06	0.75
"GDP-3,6-dideoxy-D-galactose"	ME929144	1.26	0.83	1.05	0.77
Tauro-b-muricholic acid	ME928992	1.27	0.84	1.04	0.75
Asn/Pro/Pro	ME928869	1.25	0.80	1.06	0.80
a polyisoprenyl-major wall teichoic acid (B. subtilis 168)	ME929032	1.28	0.78	1.06	0.78
Asp/Asp/Asp/Arg/Thr	ME928796	1.28	0.79	1.05	0.79
Adenosine diphosphate ribose	ME928738	1.21	0.84	1.06	0.82
Asp/Pro/Ser/Tyr	ME928892	1.19	0.84	1.09	0.81
coptisine	ME929158	1.24	0.83	1.07	0.78
kifunensine	ME929169	1.22	0.81	1.08	0.81
N-Nitrosoproline	ME928998	1.22	0.82	1.09	0.80
Ala/Asp/Ser/Ser/Thr	ME928881	1.20	0.80	1.15	0.79
Ala/Asp/Met/Arg/Thr	ME928911	1.23	0.82	1.11	0.76
"3,3^-Thiobispropanoic acid"	ME929081	1.23	0.80	1.11	0.78
"N,N-Dihydroxy-L-tyrosine"	ME928470	1.21	0.81	1.12	0.78
heptaprenylphospho-beta-D-mannose	ME929000	1.24	0.89	1.09	0.69
"2-{[(3,5-dimethoxyphenyl)(hydroxy)methylidene]amino}acetic acid"	ME929153	1.29	0.76	1.18	0.68
Iminodiacetic acid	ME929170	1.24	0.84	1.15	0.69
5-Acetamidovalerate	ME928468	1.29	0.82	1.14	0.66
Cys/Asp/Asp/Ser/Thr	ME928861	1.27	0.81	1.19	0.64
PE(P-38:5)	ME928633	1.20	0.92	0.99	0.83
"2,3,5-Trihydroxytoluene"	ME929061	1.21	0.90	0.97	0.85
Cys/Ile/Arg/Trp/Trp	ME928887	1.18	0.93	0.97	0.86
xi-gamma-Undecalactone	ME928959	1.19	0.92	0.97	0.85
Glycerophosphoglycerol	ME929167	1.21	0.91	0.92	0.89
FA methyl(16:1)	ME928679	1.18	0.93	0.94	0.88
Guanosine diphosphate mannose	ME928509	1.18	0.95	0.93	0.87
N-Acetylaspartylglutamic acid	ME928997	1.28	0.89	0.90	0.83
Neodulin	ME928615	1.25	0.89	0.92	0.85
2-amino-3-(4-hydroxy-3-methoxyphenyl)-2-methylpropanoic acid	ME929114	1.27	0.81	0.97	0.85
Monomethyl sulfate	ME929109	1.28	0.82	0.95	0.86
"Glycerol 1,3-didodecanoate 2-decanoate"	ME929100	1.27	0.84	0.92	0.87
Methylmalonic acid	ME928746	1.28	0.85	0.93	0.84
LysoPI(17:0)	ME928578	1.27	0.86	0.99	0.78
1-Stearoylglycerophosphoinositol	ME928696	1.27	0.87	0.99	0.78
3-Dehydro-L-threonate	ME928545	1.27	0.87	1.00	0.78
4-Pyridoxic acid	ME928715	1.26	0.88	0.97	0.82
mycosporine glycine	ME928991	1.23	0.88	0.99	0.83
"3,4-Dihydroxybenzylamine"	ME929164	1.20	0.89	1.02	0.83
Flucythrinate	ME929018	1.21	0.87	1.04	0.81
P-IsoPGF2-PC	ME929046	1.24	0.83	1.00	0.85
Sulfinpyrazone sulfide	ME929101	1.23	0.81	1.02	0.86
3-ketothreonate	ME928537	1.23	0.85	1.02	0.82
Cyclic ADP-ribose	ME929168	1.21	0.84	1.03	0.85
Ala/Asp/Glu/Met/Gln	ME928809	1.24	0.69	1.09	0.90
DG(11M3/9D3/0:0)	ME929038	1.26	0.78	1.03	0.85
2-Decarboxyphyllocactin	ME929011	1.28	0.75	1.00	0.88
2-(Hydroxymethyl)-3-(acetamidomethylene)succinate	ME928714	1.26	0.75	1.00	0.89
Hydroxymethylphosphonate	ME928483	1.34	0.76	0.97	0.82
Asp/Asn/Thr/Thr/Thr	ME928799	1.33	0.76	0.98	0.82
Succinyladenosine	ME929154	1.34	0.76	0.98	0.81
Glu/Gly/Val	ME928812	1.37	0.76	0.97	0.78
N4-acetyl-N4-hydroxy-1-aminopropane	ME929133	1.35	0.75	1.00	0.78
Gln/Val/Pro/Pro	ME928849	1.32	0.82	1.01	0.74
N-Acetyl-L-aspartic acid	ME928478	1.32	0.81	1.00	0.77
Cys/Cys/Asp/Met/Pro	ME928827	1.34	0.82	0.94	0.78
Palmitoleic acid	ME928692	1.32	0.85	0.95	0.78
Asp/Cys/Gly	ME928840	1.40	0.69	1.02	0.76
"2-trans,6-trans-Farnesal"	ME928584	1.35	0.67	1.04	0.82
Ala/Asn/Pro/Arg/Trp	ME928903	1.31	0.72	1.02	0.84
Dihydroxyacetone phosphate	ME928514	0.31	1.55	0.27	1.87
N2-Succinyl-L-glutamic acid 5-semialdehyde	ME928458	0.40	1.46	0.41	1.94
Xanthosine	ME928736	0.37	1.60	0.59	1.65
Pyruvaldehyde	ME928476	0.61	1.38	0.56	1.59
Leucodopachrome	ME928459	0.52	1.44	0.52	1.68
PHODiA-PE	ME929073	0.53	1.37	0.50	1.76
4-Coumaryl alcohol	ME928495	0.87	0.86	0.88	1.43
Ala/Cys/His/Ser/Trp	ME928871	0.72	0.96	0.84	1.57
PHHdiA-PE	ME929040	0.63	1.15	0.38	1.18
Rugosal	ME928965	0.51	1.12	0.60	1.34
unstable precolibactin intermediate	ME929043	0.63	1.41	1.03	1.06
LysoPS(16:0)	ME928603	0.57	1.19	1.18	1.20
Phe/His/His/His/Pro	ME928882	0.64	1.17	1.09	1.22
"N,N-Dimethylsphingosine"	ME928649	0.59	1.26	1.07	1.22
N-Oleoylethanolamine	ME928560	0.64	1.23	1.09	1.16
Phe/Pro/Pro/Thr/Trp	ME928897	0.62	1.23	1.08	1.20
Heptadecanoic acid	ME928569	0.68	1.18	0.96	1.28
threo-1-(p-Hydroxyphenyl)propylene glycol 4^-glucoside	ME929064	0.73	1.15	0.93	1.28
N-acetyldemethylphosphinothricyl-L-alanyl-L-leucine	ME929083	0.71	1.24	0.93	1.22
Cys/Ile/Ile/Lys/Trp	ME928834	0.72	1.21	0.97	1.19
Palmitoylethanolamide	ME928561	0.68	1.23	0.98	1.22
Ala/Ala/Cys	ME928819	0.63	1.28	0.97	1.25
Asp/Glu/Phe/Phe/Trp	ME928922	0.65	1.24	0.94	1.28
FA (23:1)	ME928624	0.67	1.29	1.03	1.12
1-Arachidonoylglycerophosphoinositol	ME928672	0.68	1.31	0.97	1.15
LysoPI(20:3)	ME928622	0.69	1.29	0.97	1.15
5-Aminolevulinic acid	ME928480	0.76	1.19	1.00	1.13
PI(18:2)	ME928658	0.69	1.18	1.08	1.14
Tuberculostearic acid	ME928662	0.71	1.18	1.03	1.17
Hydroxypyruvic acid	ME928474	0.84	1.23	0.53	1.46
"3,7-Dimethyl-decadien-1,10-dioic acid"	ME928601	0.73	1.11	0.80	1.45
Hymenoflorin	ME928967	0.61	1.19	0.80	1.39
Glucosamine 6-phosphate	ME928526	0.68	1.31	0.86	1.26
Cys/Met/Gln/Pro	ME928917	0.67	1.33	0.79	1.31
Nervonic acid	ME928593	0.66	1.28	0.83	1.34
6-formylpterin	ME929137	0.72	1.24	0.68	1.46
Phenethylamine glucuronide	ME929057	0.77	1.25	0.75	1.31
N-Hydroxy-L-tyrosine	ME928463	0.70	1.27	0.76	1.37
3-Carboxy-4-methyl-5-propyl-2-furanpropionic acid	ME928635	0.73	1.22	0.76	1.38
LysoPE(20:4)	ME928645	0.74	1.22	0.74	1.38
PS(18:3)	ME928637	0.45	1.34	1.08	1.31
Behenic acid	ME928562	0.44	1.40	0.98	1.35
Stearic acid	ME928571	0.51	1.35	0.99	1.32
LysoPS(20:5)	ME928632	0.40	1.50	0.93	1.36
Thymidine 5^-triphosphate	ME928732	0.34	1.51	0.90	1.25
1-Oleoylglycerophosphoserine	ME928704	0.32	1.44	1.05	1.43
LysoPS(20:4)	ME928668	0.33	1.48	0.93	1.48
"1,1^-(Tetrahydro-6a-hydroxy-2,3a,5-trimethylfuro[2,3-d]-1,3-dioxole-2,5-diyl)bis-ethanone"	ME929084	0.52	1.34	0.82	1.49
"3-Hydroxy-2-methylpyridine-4,5-dicarboxylate"	ME928716	0.55	1.35	0.79	1.45
Hymenoxon	ME929026	0.58	1.42	0.72	1.43
Glu/Met/Ser	ME928912	0.52	1.50	0.69	1.45
Glycerol 3-phosphate	ME928709	0.58	1.48	0.67	1.41
"2-[(6-carboxy-3,4,5-trihydroxyoxan-2-yl)oxy]-3-hydroxybutanedioic acid"	ME928973	0.51	1.58	0.55	1.19
"3,4,5-trihydroxy-6-{4-[-3-oxo-3-[(3,4,5,6-tetrahydroxyoxan-2-yl)methoxy]prop-1-en-1-yl]phenoxy}oxane-2-carboxylic acid"	ME929063	0.54	1.59	0.72	1.31
Norepinephrine sulfate	ME929160	0.45	1.62	0.73	1.39
N-Gluconyl ethanolamine phosphate	ME929146	0.64	1.55	0.60	1.33
nocardicin E	ME929027	0.63	1.53	0.72	1.24

Factors:

F1	Treatment:DMSO
F2	Treatment:KAE609_20x_IC50
F3	Treatment:KAE609_5x_IC50
F4	Treatment:WEHI-1888504

Data matrix