Metabolomics Workbench : NIH Data Repository

Clustering data with hclust algorithm for (Study ST002405)

(Analysis AN003919)

Metabolite	Structure	F1	F2	F3	F4
METOLACHLOR	ME568867	0.05	15.21	0.06	0.05
Ser-Ile-OH	ME569301	0.02	0.03	0.02	9.83
Stavudine	ME569323	0.09	NA	0.12	8.20
17-Trifluoromethylphenyl trinor prostaglandin F2alpha	ME567475	0.32	6.79	0.20	0.19
trans-Resveratrol-d4	ME569423	0.06	7.55	0.06	0.54
Asp Asn Phe Lys Ala	ME568055	4.98	0.00	NA	0.01
Thr Asn Leu Arg	ME569384	5.45	0.01	0.02	0.01
Phe Thr Pro Thr Glu	ME569120	7.90	0.01	NA	0.02
Trimethylamine N-oxide	ME569443	8.82	0.02	0.02	0.02
Gibberellic acid	ME568490	0.07	0.02	3.79	0.02
2-Pyridylacetic acid	ME567627	0.11	0.05	3.82	0.02
Anthranilic acid	ME568004	0.11	0.05	3.82	0.02
3-Pyridylacetic acid	ME567706	0.11	0.05	3.81	0.03
3-Acetoxypyridine	ME567653	0.11	0.05	3.80	0.03
Benzoic acid, 3-amino-	ME568090	0.11	0.06	3.80	0.03
1,2-Di(2-pyridyl)ethylene	ME567431	0.18	NA	4.29	0.17
Leu Leu Asp Leu Leu	ME568717	NA	0.01	4.40	0.03
Flusilazole	ME568466	1.11	0.30	4.58	0.36
Butanoic acid, 3-hydroxy-3-methyl-	ME568130	NA	0.07	5.19	0.22
Lariciresinol	ME568700	0.21	0.44	5.20	0.24
Bezafibrate	ME568107	0.03	0.11	0.03	5.70
Ferimzone	ME568451	0.01	0.13	0.00	4.17
Salidroside	ME569280	0.02	0.01	0.02	4.44
Tribenzylamine N-oxide	ME569430	0.03	NA	0.04	4.38
Ricinoleic acid methyl ester	ME569266	0.34	0.11	0.04	3.52
Leu Ser Leu Glu Glu	ME568722	0.16	0.16	0.08	3.50
L-Serine, O-(phenylmethyl)-	ME568777	0.18	0.21	0.18	3.44
O-Benzyl-D-serine	ME569049	0.20	0.24	0.19	3.37
Diphenhydramine	ME568331	0.17	0.12	0.23	3.67
Phenyltoloxamine	ME569142	0.16	0.11	0.20	3.79
Nadolol	ME568959	0.10	0.27	0.03	3.71
cis-12-Octadecenoic Acid methyl ester	ME568189	0.05	0.11	0.03	3.80
(E)-9-Octadecenoic acid methyl ester	ME567385	0.05	0.11	0.03	3.80
4-Methoxy-4^-(methylthio)chalcone	ME567767	0.06	0.60	0.01	4.10
6-Benzylaminopurine	ME567849	0.23	0.29	0.21	4.19
1,2-Dibenzoylbenzene	ME567434	0.18	0.36	0.32	3.93
N-Monodesmethyldiltiazem	ME569016	0.30	0.26	0.50	3.88
Phe-Glu-Lys	ME569126	1.45	0.17	3.02	0.11
Wortmannin	ME569533	1.76	0.89	2.65	0.32
Lys Lys Lys Gln Tyr	ME568796	0.39	1.22	2.29	0.13
Pro Glu Arg Val Lys	ME569189	0.53	0.98	2.27	0.13
SIMAZINE	ME569311	0.52	0.81	2.38	0.17
4-Amino-2-methylpyrimidine-5-carbonitrile	ME567728	0.30	0.75	2.44	1.00
Cys-Glu-Lys	ME568246	NA	0.67	2.05	0.52
DL-Lysine, 5-hydroxy-	ME568356	0.31	0.67	2.17	0.85
1,5-Pentanediamine	ME567445	0.33	0.81	2.18	0.67
capsidiol	ME568146	0.47	0.80	2.07	0.77
15-Deoxy-DELTA12,14-prostaglandin J2	ME567466	0.44	0.86	2.20	0.44
1-Methylhistamine	ME567498	0.23	0.97	2.22	0.47
pyro-Glu-His-Pro-NH2	ME569247	0.58	0.84	3.12	0.94
4-Hydroxy-4^-methyldiphenylamine	ME567754	1.00	0.93	2.52	0.55
JWH 250 N-(5-carboxyxypentyl) metabolite	ME568676	0.86	0.78	2.60	0.75
Thr-Ala-Arg	ME569395	0.88	0.85	2.62	0.87
CYTISINE	ME568252	NA	0.25	1.75	NA
Trp Phe Tyr	ME569462	NA	0.50	1.99	NA
Tyr-Glu-Lys	ME569481	0.31	0.23	2.02	0.41
Podophyllotoxin	ME569173	0.36	0.41	2.00	0.30
Thr Ile Asp Phe Glu	ME569388	0.52	0.34	1.91	0.21
Fluconazole	ME568457	0.03	0.03	2.29	0.03
Dicumyl peroxide	ME568306	0.32	0.23	2.40	0.19
Bifemelane	ME568108	0.26	0.20	2.24	0.15
Orphenadrine	ME569063	0.27	0.27	2.24	0.12
Morantel	ME568890	0.70	NA	2.00	0.80
N-n-Butylpropionamide	ME569017	0.78	NA	1.98	0.58
1,2-Diphenylhydrazine	ME567436	0.73	0.17	1.98	0.42
Metformin	ME568842	0.64	NA	2.07	0.42
PIROMIDIC ACID	ME569171	0.79	NA	1.66	0.48
Pyrazinamide	ME569231	0.51	NA	1.68	0.42
Arg-Tyr-Arg	ME568036	0.62	0.28	1.83	0.43
PPHP	ME569176	0.76	0.25	1.69	0.21
Methysticin	ME568863	0.63	0.40	1.49	NA
Pinocembrin	ME569165	0.63	0.40	1.49	NA
Lys Lys Thr	ME568797	0.55	NA	1.56	NA
Nap-Lys-OH	ME568965	0.20	0.13	1.68	0.07
9,12-Octadecadiynoic Acid	ME567906	0.35	NA	1.77	0.15
Asn Asp Gly Val Glu	ME568041	0.41	NA	1.67	0.08
Carbendazim	ME568149	0.10	0.02	2.87	NA
4-formyl Indole	ME567747	0.62	0.15	3.16	0.07
Levallorphan	ME568732	0.31	0.25	2.95	0.12
His Ala Val Asp	ME568574	0.23	0.03	3.05	0.29
N-Phenylacetylphenylalanine	ME569037	0.38	0.17	3.14	0.24
ETHOPROPAZINE	ME568424	0.25	0.15	3.30	0.13
Gln Glu	ME568494	0.32	0.14	3.29	0.25
L-Theanine	ME568779	0.45	0.18	2.32	0.78
Indoleacetaldehyde	ME568645	0.59	0.23	2.57	1.02
(3-hydroxy-8-methyl-8-azabicyclo[321]octan-2-yl)methyl benzoate	ME567379	0.33	0.39	2.72	0.91
4-Methylumbelliferyl heptanoate	ME567782	0.32	0.23	2.51	0.94
Diphenylmethylphosphine	ME568333	0.79	0.61	2.38	0.61
Ozagrel	ME569075	0.58	0.56	2.44	0.42
Indole-3-butyric acid	ME568644	0.96	0.44	2.32	0.45
Pyridoxal	ME569238	0.95	0.42	2.20	0.43
Licochalcone A	ME568744	0.96	0.40	2.33	0.26
Fenbufen	ME568447	0.94	0.24	2.32	0.29
Minoxidil	ME568882	1.03	0.25	2.43	0.29
DL-beta-Homoleucine	ME568342	0.90	0.22	2.46	0.42
Stearoylethanolamide	ME569326	0.89	0.32	2.38	0.41
Dihydralazine	ME568315	0.82	0.41	2.43	0.35
Spectinomycin	ME569319	0.78	0.38	2.51	0.33
Ala Gly Glu	ME567955	0.85	0.30	2.45	0.24
DL-Malic acid	ME568357	0.89	0.39	2.47	0.25
Tyr-Thr-Lys	ME569488	0.69	0.23	2.35	0.38
Gln-Met-Lys	ME568506	0.78	0.43	2.26	0.18
Ile-Tyr	ME568637	0.76	0.40	2.32	0.33
(+)-Fluprostenol methyl ester	ME567372	0.81	0.30	2.44	0.07
Latrunculin A	ME568703	0.81	0.23	2.56	0.12
2-Hydroxy-3-methoxychalcone	ME567588	0.96	0.13	2.27	0.13
(+)-Muscarine cation	ME567373	0.77	0.19	2.28	0.19
Butoxyacetic acid	ME568132	0.56	0.18	2.24	0.08
Zidovudine	ME569543	0.65	NA	2.21	0.20
Montelukast (sodium salt)	ME568889	0.75	NA	2.56	0.21
Enterodiol	ME568409	0.49	0.04	2.45	0.05
Kynurenic acid	ME568682	0.45	0.10	2.46	0.07
Promazine	ME569206	0.63	0.06	2.63	0.08
2-Nitrobenzaldehyde semicarbazone	ME567614	0.50	0.11	2.64	0.06
p-Acetaminobenzoic acid	ME569077	0.54	0.13	2.54	0.08
Bergamotin	ME568101	0.88	0.15	2.69	0.11
His Asp His	ME568575	1.03	0.06	2.86	0.05
Niacinamide	ME568989	1.00	0.11	2.79	0.10
Cys-Ser-Lys	ME568250	0.81	0.50	2.71	0.10
5-(Galactosylhydroxy)-L-lysine	ME567801	0.59	0.20	2.82	0.23
Asp Val His	ME568061	0.59	0.31	2.69	0.27
Estrone	ME568419	0.50	0.33	2.72	0.26
Methylprednisolone succinate	ME568862	0.73	0.08	2.72	0.34
Ala Gln Thr	ME567953	0.84	0.19	2.62	0.26
N-(tert-Butyl)benzenesulfonamide	ME568912	0.77	0.23	2.68	0.24
Diphenylphosphine isopropyl ester	ME568336	0.75	0.27	2.62	0.29
Pregabalin	ME569180	0.73	0.30	2.67	0.30
L-Homocitrulline	ME568742	1.44	0.65	1.83	0.08
Dimepiperate	ME568323	1.24	0.81	1.74	0.21
L-Carnitine	ME568706	1.30	0.80	1.70	0.20
Leu Lys Tyr Lys	ME568720	1.75	0.46	1.87	0.27
2-(N-Morpholino)ethanesulfonic acid	ME567522	1.48	0.60	1.56	0.26
Duloxetine	ME568395	1.50	0.62	1.50	0.23
1H-Purin-6-amine, N,N-dimethyl-	ME567489	1.69	0.56	1.54	0.21
DL-Norleucine methyl ester	ME568363	1.61	0.55	1.66	0.18
Oleoyl Ethanolamide	ME569057	1.32	0.32	1.73	0.70
1-Deoxynojirimycin	ME567486	1.26	0.29	1.82	0.63
Palmitoyl ethanolamide	ME569083	1.18	0.38	1.81	0.63
Deoxygalactonojirimycin	ME568281	1.23	0.38	1.78	0.62
CRINAMINE	ME568226	1.22	0.41	1.80	0.58
Uracil	ME569496	1.21	0.42	1.78	0.60
Gln Asp	ME568493	1.26	0.42	1.59	0.54
LY364947	ME568788	1.28	0.52	1.67	0.55
DL-2-Aminocaprylic acid	ME568347	1.15	0.51	1.66	0.67
2(5H)-Furanone	ME567520	1.12	0.57	1.82	0.54
(5-Chloro-1H-indol-2-yl)(4-methyl-1-piperazinyl)methanone	ME567384	1.14	0.52	1.76	0.61
Pralidoxime cation	ME569178	1.10	0.31	1.52	0.74
2-Phenylaminoadenosine	ME567617	0.95	0.35	1.70	0.60
Lys-Val-Lys	ME568814	1.13	0.26	1.68	0.60
Nicotinamide N-oxide	ME568991	1.21	0.67	1.79	0.53
10-methyl-9-(phenoxycarbonyl) Acridinium fluorosulfonate	ME567448	1.12	0.57	1.75	0.39
N-Butyryl-L-homoserine lactone	ME568974	1.23	0.56	1.81	0.40
DL-Methionine sulfoxide	ME568360	1.20	0.56	1.77	0.47
L-Methionine S-oxide	ME568760	1.20	0.56	1.77	0.47
Gly-Glu	ME568535	1.19	0.74	1.69	0.39
N-Benzoylaminopurine	ME568969	1.26	0.63	1.66	0.45
YC-1	ME569540	1.30	0.64	1.65	0.31
Ethosuximide	ME568425	1.33	0.36	1.84	0.48
Met-Pro-Arg	ME568868	1.36	0.41	1.79	0.38
5-Methyl-2-furaldehyde	ME567830	1.29	0.44	1.91	0.36
Ritalinic acid	ME569267	1.31	0.38	1.86	0.35
11-Deoxyprostaglandin E1	ME567450	1.20	0.46	1.92	0.42
20-Hydroxy-(5Z,8Z,11Z,14Z)-eicosatetraenoic acid	ME567553	1.20	0.46	1.92	0.42
2-methyl-3-Pyrimidin-2-yl-Propionic Acid	ME567608	1.18	0.39	2.00	0.44
L-Histidine, 3-methyl-	ME568740	1.15	0.33	2.02	0.49
2^-Hydroxy-4-methylchalcone	ME567590	1.44	0.35	1.61	0.39
DL-beta-Leucine	ME568344	1.63	0.37	1.60	0.41
Oxycodone	ME569073	1.64	0.20	1.79	0.31
4-(2-Hydroxyethyl)piperazine-1-ethanesulfonic acid	ME567710	1.47	0.28	1.61	0.25
Desomorphine	ME568286	1.51	0.22	1.74	0.22
Furfural	ME568478	1.42	0.26	1.71	0.22
2-Aminobenzamide	ME567563	1.38	0.14	1.52	0.45
MIDODRINE	ME568878	1.54	0.19	1.63	0.63
Adipic acid	ME567941	1.09	0.04	1.67	0.03
13(S),14(S)-epoxy Fluprostenol isopropyl ester	ME567457	1.00	0.01	1.59	0.02
Leu Ser Glu Lys Tyr	ME568721	1.05	0.08	1.57	0.07
Phe Asp Ala Glu	ME569114	0.91	0.23	1.58	0.07
Acetyl Podocarpic Acid Anhydride	ME567923	0.94	0.08	1.75	0.07
Asn Asp Glu Arg	ME568040	0.79	0.12	1.68	0.06
3-(2-(methylamino)ethyl)-1H-indol-5-ol	ME567632	0.88	0.01	1.95	0.04
Carbenoxolone	ME568150	0.90	0.15	1.90	0.30
Lys Leu His Val Asp	ME568794	1.11	0.09	1.79	0.11
2^-Hydroxy-3-methoxychalcone	ME567587	1.02	0.11	2.01	0.20
Trp Arg Asp	ME569460	1.07	0.14	1.92	0.13
Ser His Val Lys	ME569297	1.35	0.12	1.71	0.12
12S-Hydroxy-5Z,8E,10E-heptadecatrienoic acid	ME567456	1.33	0.22	1.85	0.15
Metamitron	ME568840	1.25	0.26	1.80	0.22
N-Methyltyramine	ME569015	1.22	0.18	1.75	0.22
O-Methyltyramine	ME569062	1.16	0.20	1.80	0.22
3-Methoxytyramine	ME567687	1.02	0.39	1.82	0.30
Methyldopamine	ME568857	1.04	0.39	1.80	0.30
BRUCINE	ME568118	1.14	0.28	1.81	0.40
Theobromine	ME569368	1.10	0.14	1.78	0.34
Betaine aldehyde cation	ME568103	1.32	0.03	2.55	0.10
12-Ketodeoxycholic acid	ME567454	1.19	0.04	2.48	0.29
(R)-Butaprost	ME567389	1.16	0.04	2.51	0.29
Citalopram	ME568196	1.28	0.12	2.32	0.10
Resorufin	ME569263	1.23	0.24	2.41	0.12
QUINAMIDE ISOPROPYLIDENE	ME569255	1.20	0.27	2.29	0.25
L-Lysine	ME568757	1.17	0.14	2.34	0.35
AMIPRILOSE	ME567993	1.22	0.11	2.31	0.26
JWH031	ME568677	1.23	0.09	2.33	0.25
dimethyl (R)-pyrrolidine-1,2-dicarboxylate	ME568324	1.20	0.42	2.09	0.30
N,N-Bis(2-hydroxyethyl)glycine	ME568914	1.22	0.39	2.14	0.25
N-(1,1-Dimethyl-2-hydroxyethyl)-3-amino-2-hydroxypropanesulfonic acid	ME568899	1.16	0.17	2.14	0.20
SINOMENINE	ME569312	1.26	0.20	1.99	0.19
CYCLOCREATINE	ME568234	1.26	0.23	2.09	0.28
Thiolanilide	ME569377	1.22	0.20	2.10	0.27
5-Aminosalicylic acid	ME567812	1.31	0.21	2.12	0.37
beta-Cyano-L-alanine	ME567402	1.30	0.19	2.03	0.34
Dihydrouracil	ME568319	1.30	0.19	2.03	0.34
Norepinephrine (noradrenaline)	ME569029	1.49	0.14	2.02	0.28
Thr Lys Gly	ME569391	1.48	0.06	2.08	0.28
Ala Ser Lys	ME567962	1.48	0.06	2.08	0.28
Gly-Thr-Lys	ME568543	1.48	0.06	2.08	0.28
2-Deoxy-D-ribose	ME567575	1.52	0.30	1.92	0.27
6-Hydroxydopamine	ME567856	1.56	0.22	2.02	0.20
2-keto valeric acid	ME567600	1.51	0.30	2.04	0.26
Phenazopyridine	ME569128	1.42	0.29	1.97	0.24
Stearamide	ME569324	1.45	0.26	2.07	0.32
6-Methyluracil	ME567865	1.40	0.28	2.05	0.27
Thymine	ME569404	1.40	0.27	2.06	0.27
Pterostilbene	ME569224	1.45	0.27	2.07	0.14
Zaprinast	ME569542	1.45	0.26	2.04	0.10
5-Hydroxy-2-methylpyridine	ME567819	1.41	0.31	2.12	0.20
Pymetrozin	ME569227	1.33	0.35	2.12	0.19
2-Ethyl-4-hydroxy-5-methyl-3(2H)-furanone	ME567578	1.69	0.05	1.83	0.13
Dimetridazole	ME568328	1.57	0.05	1.84	0.11
Ureidosuccinic acid	ME569499	1.57	0.03	1.92	0.11
3-Acetyl-7-diethylaminocoumarin	ME567655	1.45	0.01	1.88	0.02
Thr-Gly-Lys	ME569397	1.40	0.07	2.00	0.10
Ethyl imidazole-2-carboxylate	ME568429	1.74	0.07	2.08	0.12
HEPTAMINOL	ME568565	1.48	0.14	2.21	0.17
Phenacetin	ME569127	1.52	0.10	2.28	0.10
Eseroline	ME568418	1.02	0.85	1.13	NA
Tyr-Val-Lys	ME569490	1.02	1.02	0.98	NA
Arg Glu Ser Leu Glu	ME568018	0.86	1.00	1.10	NA
DL-Homocysteine, S-ethyl-	ME568352	0.86	1.09	1.07	NA
Flumioxazin	ME568461	0.80	0.71	1.25	NA
17-Trifluoromethylphenyl trinor prostaglandin F2alpha methyl ester	ME567476	0.84	0.97	1.35	NA
7-chlorothieno[2,3-c]Pyridine	ME567878	0.79	0.98	1.22	NA
2,5-Dimethyl-1-phenyl-1H-pyrrole-3-carbaldehyde	ME567547	0.99	0.42	1.20	NA
p,p^-Ditolylamine	ME569076	1.20	0.67	1.13	NA
2-Hydroxy-5-methoxybenzoic acid	ME567592	1.48	0.08	1.20	0.03
3-Hydroxymandelic acid	ME567680	1.48	0.08	1.20	0.03
Azatadine	ME568070	1.48	0.08	1.36	0.07
Tyr Leu Ala Lys	ME569476	1.49	0.12	1.45	0.10
Arg Asp Val Glu	ME568016	1.02	NA	1.35	0.25
Tyr Thr Ala Glu	ME569477	1.07	0.12	1.51	0.21
Asn-Tyr-Arg	ME568050	1.22	NA	1.13	0.08
Hexamethylphosphoramide	ME568568	1.07	NA	1.33	0.04
Dihydro Isorescinnamine	ME568316	1.18	0.12	1.45	0.07
Abu-His-OH	ME567915	1.18	0.11	1.27	0.07
Asp Tyr Asn Leu Leu	ME568060	1.25	0.09	1.36	0.06
Flucytosine	ME568458	1.00	NA	1.00	NA
2,3-Dihydroxy-3-methylbutyric acid	ME567530	1.02	NA	0.96	NA
Linustatin	ME568753	1.04	NA	0.94	NA
carbinoxamine	ME568152	1.13	NA	0.81	NA
NG,NG-Dimethyl-L-arginine	ME568983	1.05	NA	0.83	NA
Exemestane	ME568440	1.34	0.04	0.87	0.03
2,3-Naphthalenedicarboxylic acid	ME567534	1.14	NA	0.66	NA
Alprenolol	ME567985	1.20	NA	0.75	NA
Nizatidine	ME569003	1.26	NA	0.69	NA
4-Amidinophenylmethanesulfonyl fluoride	ME567726	0.92	NA	1.08	NA
N-[Tris(hydroxymethyl)methyl]-3-amino-2-hydroxypropanesulfonic acid	ME568929	0.85	NA	1.07	NA
5-Methoxytryptophol	ME567829	0.90	NA	1.25	NA
Mebendazole metabolite (2-Amino-5-benzoylbenzimidazole)	ME568827	0.83	NA	1.19	NA
Picrotoxinin	ME569158	0.86	NA	1.14	NA
Asn His Phe Asp	ME568042	0.53	NA	1.24	0.03
Ergonovine	ME568415	0.70	NA	1.30	NA
Dehydronifedipine	ME568273	0.65	NA	1.17	NA
Fenofibrate	ME568449	0.62	NA	1.25	NA
O-Arachidonoyl Glycidol	ME569048	3.77	0.19	0.04	0.08
Thr Thr Gly Leu Ile	ME569393	3.98	0.09	0.10	0.10
5(Z),8(Z),11(Z)-Eicosatrienoic acid methyl ester	ME567803	2.78	0.80	0.03	0.02
Hippuric acid	ME568572	2.51	0.08	0.02	0.13
Didox	ME568308	2.71	0.15	0.14	0.44
N-(2-Furoyl)glycine	ME568902	2.91	0.11	0.06	0.50
Metalaxyl	ME568839	2.71	0.06	0.09	0.08
Viloxazine	ME569531	2.82	0.04	0.12	0.07
D-Xylo-pentitol, 1,4,5-trideoxy-1,4-imino-5-(4-methoxyphenyl)-, 3-acetate	ME568396	2.97	0.04	0.14	0.10
CAY10567	ME568162	2.96	0.17	0.18	0.17
1-Methyl-3-(9H-thioxanthen-9-ylmethyl)piperidine	ME567494	2.91	0.14	0.23	0.18
Tolnaftate	ME569412	2.92	0.20	0.25	0.14
9-Octadecenamide, (Z)-	ME567909	3.24	0.04	0.63	0.05
Asp Gly Val	ME568057	3.34	0.03	0.58	0.05
Demethylcitalopram	ME568277	3.17	0.07	0.44	0.06
Suberoylanilide hydroxamic acid	ME569330	3.19	0.02	0.25	0.01
Fexofenadine	ME568452	3.64	0.00	0.02	0.00
Dicyclomine	ME568307	3.41	0.15	0.08	0.10
N-lactoyl-phenylalanine	ME569004	3.40	0.02	0.15	0.04
MG(18:1(9Z)/0:0/0:0)[rac]	ME568876	3.24	0.22	0.23	0.31
MG(18:2(9Z,12Z)/0:0/0:0)[rac]	ME568877	3.18	0.44	0.15	0.15
Arachidonic acid methyl ester	ME568009	3.26	0.33	0.08	0.05
U-51605	ME569491	3.36	0.35	NA	0.14
Formamide, N,N-dimethyl-	ME568469	2.72	0.13	1.07	0.08
Stearidonic acid ethyl ester	ME569325	2.65	0.09	1.33	0.13
Purine	ME569225	2.50	0.10	1.24	0.55
5S-Hydroxy-6E,8Z,11Z-eicosatrienoic acid	ME567839	2.45	0.09	1.36	0.14
N-(furan-2-ylmethyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine	ME568910	2.36	0.13	1.39	0.12
N-Heptanoyl-L-homoserine lactone	ME568985	2.27	0.16	1.26	0.17
Oxindole	ME569070	2.24	0.04	1.36	0.08
Abacavir	ME567914	2.35	0.16	1.02	0.12
4-Hydroxypropranolol	ME567762	2.44	0.19	1.04	0.24
N-butyryl-L-Homoserine lactone-d5	ME568975	2.44	0.14	1.00	0.34
Ala-His	ME567969	2.39	0.27	1.14	0.20
DL-2-Methylglutamic acid	ME568348	2.44	0.31	1.04	0.21
D-Mannosamine	ME568376	2.44	0.31	1.04	0.21
delta-Hexalactone	ME567413	2.12	0.16	1.18	0.40
Coumarin-suberoylanilide hydroxamic acid	ME568218	2.11	0.18	1.16	0.27
Methapyrilene	ME568845	2.11	0.17	1.08	0.20
Carnosine	ME568154	2.23	0.38	1.02	0.37
Trp Trp	ME569465	2.22	0.38	1.02	0.31
9-OxoOTrE	ME567911	2.22	0.29	1.19	0.34
Gly-Leu-Lys	ME568538	2.28	0.28	1.12	0.25
Tropinone	ME569458	2.27	0.29	1.13	0.15
L-Leucine	ME568755	1.78	0.60	1.16	0.47
Guanidinosuccinic acid	ME568551	1.69	0.36	1.02	0.36
Mefenamic acid	ME568830	1.84	0.39	1.19	0.39
Pyriproxyfen	ME569242	1.74	0.44	1.14	0.40
Clemastine	ME568200	2.00	0.48	0.94	0.57
Glycerol 1-myristate	ME568526	1.97	0.64	0.94	0.45
L-Alanyl-beta-alanine	ME568696	1.90	0.36	1.20	0.55
Tripropyl phosphate	ME569453	2.09	0.38	1.12	0.42
Hexanedioic acid, bis(2-ethylhexyl) ester	ME568570	2.04	0.34	1.06	0.56
Sedoheptulose	ME569290	1.99	0.40	1.07	0.49
ethyl-2,4-dimethyl-Thiazole-5-Carboxylate	ME568431	1.79	0.57	1.53	0.62
Hexanedioic acid, 2-amino-	ME568569	1.61	0.50	1.42	0.47
Pyrazine-2-carboxylic acid	ME569232	1.67	0.58	1.32	0.50
13Z-Docosenamide	ME567461	1.80	0.33	1.35	0.52
Oleoyl ethylamide	ME569058	1.85	0.30	1.46	0.43
Biotin	ME568112	1.86	0.42	1.33	0.34
(-)-Epinephrine	ME567358	1.92	0.41	1.33	0.34
(-)-(alpha)-Kainic acid	ME567355	1.82	0.43	1.45	0.30
Triethanolamine	ME569432	1.77	0.36	1.50	0.37
2^-Hydroxychalcone	ME567595	1.78	0.18	1.49	0.33
4-(1-piperazinyl)-1H-Indole (hydrochloride)	ME567708	1.68	0.19	1.44	0.21
2-(2-Aminoethyl)pyridine	ME567515	1.60	0.18	1.30	0.33
Nandrolone	ME568963	1.68	0.27	1.33	0.38
p-Coumaric acid	ME569091	1.73	0.38	1.28	0.36
4,6-Dioxoheptanoic acid	ME567724	1.83	0.67	1.30	0.20
COTARNINE	ME568216	2.04	0.55	1.55	0.36
1,6-Anhydro-2,3-O-isopropylidene-beta-D-mannopyranose	ME567446	1.81	0.18	1.07	0.22
Phenyl glucuronide	ME569135	1.70	0.22	1.00	0.18
Benztropine	ME568094	1.83	0.01	1.14	0.02
3,3-Dimethylglutaric acid	ME567638	1.95	0.16	1.33	0.14
Mitragynine	ME568884	2.03	0.04	1.33	0.08
Eicosapentaenoic Acid	ME568405	2.13	0.13	1.47	0.43
15-HETE	ME567467	2.10	0.15	1.48	0.43
9(Z),11(E)-Conjugated Linoleic Acid	ME567904	2.11	0.14	1.48	0.43
RCS-4 3-methoxy isomer	ME569261	1.98	0.12	1.52	0.22
N-Methyl-D-glucamine	ME569009	2.02	0.26	1.46	0.26
1-Deoxy-1-(methylamino)-D-galactitol	ME567485	2.04	0.24	1.37	0.27
N-Methyl-1-deoxynojirimycin	ME569006	2.04	0.24	1.37	0.27
Arg Phe	ME568026	1.79	0.06	1.42	0.07
2-Hydroxyestradiol	ME567597	1.78	0.07	1.55	0.06
L-Histidinol	ME568741	1.85	0.02	1.61	0.03
Nitrotyrosine	ME569001	2.01	0.15	1.67	0.09
Scopolamine	ME569285	2.13	0.11	1.58	0.09
CAY10498	ME568160	2.02	0.02	1.74	0.02
N,N-Dimethyl-L-valine	ME568919	2.05	0.03	1.71	0.20
(+/-)-Myristoylcarnitine	ME567367	2.49	0.81	0.23	0.24
Nicotinuric acid	ME568993	2.43	0.60	0.30	0.50
Isoquinoline N-oxide	ME568664	2.41	0.78	0.67	0.66
Lenacil	ME568711	2.59	0.41	0.67	0.64
L-Asparagine	ME568701	2.15	0.43	0.64	0.78
Isoprothiolane	ME568663	2.18	0.53	0.60	0.60
Curlone	ME568230	2.33	0.52	0.50	0.60
(R)-ar-Turmerone	ME567388	2.32	0.46	0.51	0.45
5-Methyl-5-phenylhydantoin	ME567832	2.17	0.41	0.64	0.43
Allopurinol riboside	ME567982	2.31	0.56	0.66	0.40
Inosine	ME568647	2.32	0.56	0.66	0.40
9-Oxo-prosta-10,12Z,14E-trienoic acid	ME567912	2.28	0.42	0.74	0.54
Azelaic acid	ME568071	2.31	0.51	0.61	0.53
Primaquine	ME569182	2.38	0.48	0.68	0.51
Gln Ile Glu	ME568495	2.34	0.04	0.29	0.03
Labetalol	ME568690	2.43	0.09	0.37	0.11
Lys Asn Gly Ser Leu	ME568790	2.20	0.16	0.30	0.24
(S)-Desoxy-D2PM	ME567393	2.22	NA	0.48	0.30
Gly Gly Ile	ME568521	2.27	0.38	0.70	0.31
Ac-Tyr-OEt	ME567934	2.27	0.33	0.83	0.29
Alfuzosin	ME567980	2.38	0.28	0.79	0.24
Gestrinone	ME568489	2.17	0.19	0.70	0.09
Clomiphene	ME568203	2.16	0.17	0.63	0.16
Loxistatin	ME568767	2.13	0.21	0.55	0.19
Famciclovir	ME568442	2.14	0.27	0.68	0.31
Tolazamide	ME569409	2.07	0.23	0.80	0.35
Equilin	ME568413	2.53	0.03	0.89	0.07
Pizotyline	ME569172	2.34	0.15	0.80	0.15
Dothiepin	ME568384	2.40	0.20	0.70	0.06
Paroxetine	ME569089	2.40	0.19	0.76	0.11
Arg Glu Ser	ME568017	2.29	0.09	0.54	0.09
Vanillic acid diethyl amide	ME569527	2.39	0.07	0.65	0.04
Camptothecin	ME568143	2.57	NA	0.63	0.17
Benzyl butyl phthalate	ME568096	2.54	0.10	0.72	0.10
Olomoucine	ME569059	2.58	0.05	0.64	0.07
7-Keto-8-aminopelargonic acid	ME567887	2.49	0.07	0.50	0.05
Met-Ser-Arg	ME568870	2.63	0.14	0.43	0.08
4-(tert-Butylamino)-6-ethylamino-5H-1,3,5-triazin-2-one	ME567715	2.65	0.55	0.63	0.18
Ser-Thr-Lys	ME569308	2.71	0.26	0.62	0.17
trans-Zeatin	ME569425	2.80	0.21	0.82	0.17
DL-Metanephrine	ME568358	2.86	0.07	0.46	0.05
alpha-Methyl-L-tyrosine	ME567398	2.95	0.11	0.74	0.02
PROPOXUR	ME569209	2.79	0.01	0.69	0.01
4-Nitro-1,3-benzenediamine	ME567784	2.05	0.08	NA	1.13
CAY10591	ME568166	2.12	0.01	0.01	0.54
4-Cyanoindole	ME567741	1.61	0.39	NA	NA
Metoclopramide	ME568866	1.93	0.09	0.46	0.09
Pro Gln Val	ME569188	1.76	0.03	0.42	0.10
Benzamide	ME568078	1.97	0.01	NA	0.05
EXALAMIDE	ME568439	1.99	0.03	0.24	0.03
4,2^,5^-Trihydroxychalcone	ME567717	1.48	0.18	0.22	NA
2-(1-Piperidyl)propan-2-ol	ME567514	1.41	NA	0.18	NA
3-Aminoquinoline	ME567664	1.36	NA	0.29	NA
Phenyl-p-tolyl-amine	ME569141	1.30	NA	0.53	0.26
Confertifoline	ME568208	1.52	NA	0.48	NA
His Phe Arg	ME568582	1.51	0.06	0.75	0.11
PD-160725 2-hydroxyethanesulfonate	ME569093	1.57	0.02	0.72	0.02
5S,12R-Dihydroxy-6Z,8E,10E,14Z-eicosatetraene-1,20-dioic acid	ME567838	0.51	1.22	0.61	3.28
Benzamidine	ME568079	0.34	1.11	0.59	2.45
Val Thr Val	ME569512	0.28	0.73	0.61	2.54
Hydromorphone	ME568601	0.42	0.70	0.41	2.68
PyroGlu-Asn-Lys	ME569245	0.26	0.83	0.36	2.73
2-Hydroxy-2^,4^,6^-trimethoxychalcone	ME567583	0.38	0.84	0.15	2.44
W146	ME569532	0.42	0.84	0.16	2.31
7,8,4^-Trihydroxyisoflavone	ME567870	0.21	1.14	0.31	2.56
Diltiazem	ME568322	0.28	0.95	0.27	2.53
Trp-Gln-Arg	ME569468	0.03	0.82	0.03	2.60
Val His Phe Glu	ME569505	0.04	0.68	0.06	2.58
3-(2-Hydroxyethyl)indole	ME567633	0.02	0.98	0.15	3.06
4-Piperidinemethanol, a,a-diphenyl-	ME567792	0.02	1.23	0.03	3.18
3-Ethylethcathinone	ME567670	0.10	1.19	0.10	2.89
Diethylpropion	ME568312	0.10	1.19	0.10	2.89
Ala Ser Phe Glu	ME567963	0.00	1.14	0.00	2.76
Tryptamine	ME569471	0.02	1.04	0.14	2.79
Ala-Thr	ME567975	0.10	0.85	0.11	2.94
Glycerophosphocholine	ME568527	0.20	0.83	0.06	2.91
Dyphylline	ME568398	0.19	0.96	0.15	2.89
Indirubin-3^-monoxime	ME568641	0.23	1.06	0.15	2.96
His Gln Gly	ME568576	0.19	1.03	0.16	2.73
Dolasetron	ME568381	0.28	0.80	0.14	2.77
Met Ala Lys Lys Asp	ME568836	0.16	0.87	0.13	2.74
3-Guanidinopropanoate	ME567674	0.62	0.17	0.01	3.19
GALANTHAMINE	ME568483	0.81	0.05	0.09	3.14
Glycitein	ME568531	0.05	0.20	0.04	2.85
Phe-Tyr-OH	ME569148	0.10	0.17	0.09	2.99
Leu Tyr Phe Lys	ME568723	0.30	0.13	0.17	2.69
Ala Arg Asp Pro Val	ME567949	0.05	0.15	0.07	2.50
Gln Ala Gln Ile Glu	ME568492	0.16	0.17	0.09	2.55
Tyr Ile Tyr	ME569474	0.13	0.41	0.08	3.33
2-(2-Butoxyethoxy)acetic acid	ME567516	0.07	0.53	0.06	3.35
trans-4-(Aminomethyl)cyclohexanecarboxylic acid	ME569418	0.07	0.51	0.06	3.37
N,N-diisopropyl-3-nitrobenzamide	ME568916	0.21	0.50	0.16	3.25
Nordihydroguaiaretic acid	ME569027	0.25	0.49	0.26	3.40
beta-PHENYL-gamma-Aminobutyric Acid	ME567410	0.33	0.18	0.36	3.13
Camylofine	ME568144	0.25	0.23	0.16	2.97
Myriocin	ME568894	0.28	0.31	0.20	3.15
Synephrine	ME569347	0.32	0.29	0.53	2.97
Dopamine	ME568382	0.26	0.42	0.32	3.01
Gln-Ile-Lys	ME568505	0.16	0.42	0.37	3.04
PIOGLITAZONE	ME569167	0.21	0.49	0.38	3.07
Ala Gly Leu Val Ser	ME567956	0.21	0.34	0.44	3.01
Ala Thr Ile Lys	ME567964	0.15	0.30	0.42	3.13
Leu Ala Thr Lys	ME568713	0.15	0.30	0.42	3.13
CAY10554	ME568161	0.36	0.54	0.29	2.94
Chloridazon	ME568177	0.16	0.45	0.10	2.76
Maltitol	ME568818	0.13	0.54	0.14	2.84
2-Hydroxybenzyl alcohol	ME567594	1.25	0.15	0.61	1.93
DL-2,4-Diaminobutyric acid	ME568346	1.28	0.37	0.29	2.06
Linoleoyl ethanolamide	ME568752	1.48	0.21	0.31	1.94
Aspartame	ME568063	0.93	NA	0.34	2.40
Tetramethylthiourea	ME569365	1.08	0.27	0.01	2.64
PTAEROXYLIN	ME569222	1.06	0.56	0.17	2.12
Uridine, 5-methyl-	ME569500	1.07	0.40	0.18	2.35
His Phe	ME568581	0.72	1.28	0.84	2.15
Cyclocytidine	ME568235	0.06	0.95	0.19	2.08
Lys Tyr Phe	ME568798	0.11	1.00	0.26	2.13
Thr Glu Leu Lys	ME569385	0.58	1.21	0.23	1.98
d-Dethiobiotin	ME568269	0.32	1.19	0.39	2.20
6-Benzyloxycarbonylaminohexanoic acid	ME567850	0.35	1.12	0.45	2.02
Met Phe His	ME568837	0.30	1.21	0.47	2.03
(-)-Neplanocin A	ME567361	0.32	1.25	0.38	2.05
acetophenone	ME567922	0.50	1.10	0.38	2.21
alpha-CMBHC	ME567395	0.42	1.04	0.37	2.10
Ile Tyr Val Arg	ME568616	0.36	1.01	0.34	2.03
ANABASAMINE	ME567999	0.75	1.05	0.28	2.17
D-(+)-Arabitol	ME568259	0.82	1.01	0.23	2.29
1-Kestose	ME567493	0.63	0.77	0.38	2.22
3alpha,6alpha-Mannotriose	ME567649	0.64	0.82	0.41	2.12
Arg Thr Leu Ser Asp	ME568028	0.56	0.96	0.29	2.20
Maltotriose	ME568820	0.57	0.92	0.38	2.13
6-Methoxychromanone	ME567860	0.77	1.11	0.56	1.92
Pro Gln	ME569187	0.69	1.07	0.42	1.83
PE(17:1(9Z)/0:0)	ME569095	0.65	0.93	0.73	1.92
4-(4-Aminophenoxy)aniline	ME567711	0.49	0.96	0.67	2.09
Kavain, DL-	ME568679	0.50	0.99	0.64	1.97
Leucine Enkephalin	ME568726	0.02	0.68	NA	1.64
Pyocyanin	ME569228	NA	0.62	NA	1.75
4^,5-Dihydroxy-7-methoxyflavanone	ME567720	NA	0.70	0.33	2.05
Prostaglandin D2 ethanolamide	ME569214	0.18	0.51	0.17	1.94
Penicillamine disulfide	ME569096	0.13	0.64	NA	1.88
Glycerol	ME568525	NA	0.61	0.07	1.97
Betamethasone dipropionate	ME568105	0.12	0.68	0.10	2.06
N-1-Desalkylflurazepam	ME568934	0.13	0.67	0.15	1.99
Sulfadimidine	ME569338	NA	0.55	0.62	1.57
Cymoxanil	ME568244	0.41	0.51	0.27	1.66
Crimidine	ME568225	0.52	0.73	0.55	1.51
Ala Arg Glu Arg	ME567950	0.31	0.55	0.52	1.86
Fenazaquin	ME568445	0.25	0.76	0.70	1.77
17-Trifluoromethylphenyl-13,14-dihydro trinor prostaglandin F2alpha	ME567477	0.34	0.68	0.54	1.68
His Val Phe Gly Glu	ME568593	0.45	0.67	0.64	1.81
N,N-DIMETHYLAMILORIDE	ME568917	0.56	0.83	0.93	2.10
Ala Phe Ile Arg	ME567959	0.62	0.63	0.84	2.27
thio-m-Toluthioamide	ME569379	0.57	0.70	0.79	2.05
(3,4-Dihydroxyphenyl)ethanol	ME567377	0.68	0.71	0.74	2.10
Cycloate	ME568233	0.65	0.66	0.72	2.12
1-(2-Methoxyethoxy)-2-methyl-2-propanol	ME567421	0.53	0.60	0.28	2.19
Spirotetramat	ME569321	0.42	0.66	0.59	2.31
7,8-dihydro-L-Biopterin	ME567872	0.48	0.62	0.49	2.41
D-Glucosamine	ME568293	0.53	0.61	0.54	2.32
Pifithrin-alpha	ME569159	0.59	0.53	0.58	2.07
Lys-Ala-Arg	ME568799	0.50	0.69	0.43	2.17
Phenol, o-amino-	ME569134	0.56	0.72	0.56	2.15
3-Pyridinemethanol	ME567705	0.56	0.72	0.56	2.15
Phenol, 4-amino-	ME569133	0.56	0.72	0.56	2.15
[6]-Gingerol	ME567419	0.38	0.38	0.72	2.24
Oleic acid ethyl ester	ME569055	0.41	0.37	0.73	2.04
2-Methylbutyroylcarnitine	ME567610	0.61	0.49	0.92	1.99
Arg-Ala-Lys	ME568033	0.49	0.52	1.07	1.91
Sotalol	ME569318	0.58	0.19	0.94	2.51
CAY10449	ME568159	0.83	NA	0.76	2.13
HET0016	ME568566	0.87	NA	0.72	2.14
Gentian Violet	ME568488	0.86	0.32	0.59	2.12
DL-alpha-Phenylglycine	ME568341	0.65	0.37	0.87	2.17
cis-11,14-Eicosadienoic acid	ME568188	0.71	0.29	0.78	2.20
Linoleic acid ethyl ester	ME568751	0.77	0.32	0.76	2.12
3-Isopropylmalic acid	ME567686	0.71	0.72	0.58	2.72
Syringaldehyde	ME569348	0.86	0.83	0.67	2.42
3-Pyridinecarboxamide, 1,6-dihydro-1-methyl-6-oxo-	ME567703	0.72	0.45	0.18	2.65
4-Nitrobenzylamine	ME567785	0.79	0.58	0.24	2.39
5-Nitro-2-toluidine	ME567836	0.65	0.54	0.59	2.47
13-epi-12-oxo Phytodienoic Acid	ME567459	0.68	0.45	0.40	2.40
trans-EKODE-(E)-Ib	ME569422	0.68	0.45	0.40	2.40
Val Pro Val	ME569511	0.37	0.46	0.72	2.55
4-Dimethylamino-2^,4^,6^-trimethoxychalcone	ME567742	0.40	0.42	0.72	2.46
Naltrexone	ME568962	0.39	0.43	0.71	2.41
Leu Val Leu Gly Phe	ME568725	0.47	0.42	0.68	2.38
S-Methyl-L-cysteine	ME569314	0.47	0.39	0.71	2.43
DL-Norepinephrine	ME568362	0.35	0.50	0.51	2.64
L-Tyrosinamide	ME568783	0.49	0.51	0.35	2.61
4-Aminobenzoic acid	ME567733	0.47	0.39	0.50	2.64
N-Methylnicotinic acid cation	ME569011	0.53	0.42	0.51	2.54
Trigonelline	ME569438	0.53	0.45	0.51	2.51
Phosphoric acid, trimethyl ester	ME569152	0.55	NA	0.65	2.61
Arg Ile Gln	ME568022	0.44	0.19	0.34	2.89
Creatine	ME568222	0.53	0.25	0.43	2.67
HEPC	ME568564	0.45	0.23	0.54	2.73
L-Proline, N-[(1,1-dimethylethoxy)carbonyl]-	ME568774	0.37	0.16	0.60	2.64
Thr Lys Gln Lys	ME569390	0.30	0.24	0.59	2.76
1-(p-Methoxyphenyl)-5-piperidino-1-penten-3-one	ME567426	NA	0.23	0.50	2.07
Cyclizine	ME568232	0.19	0.34	0.35	2.10
Casticin	ME568157	NA	NA	0.69	1.93
Thioperamide	ME569380	NA	NA	0.57	2.30
Val Tyr Lys Val Leu	ME569514	0.17	0.23	0.97	1.80
2,2^-Dihydroxy-4^,6^-dimethoxychalcone	ME567527	0.64	NA	1.04	1.64
antipyrine	ME568005	0.51	NA	0.94	2.04
guanabenz	ME568548	1.33	NA	NA	0.67
Met-Val-OH	ME568873	1.34	NA	NA	0.66
AM1235	ME567988	1.16	NA	NA	0.52
CHLORPROTHIXENE	ME568182	1.24	NA	NA	0.52
6-Mercaptopurine	ME567859	0.87	NA	NA	1.13
Pyridine-3,4-dicarboxylic acid	ME569237	0.80	NA	NA	1.10
6-Hydroxy-2^-methoxyflavone	ME567855	0.99	NA	NA	1.01
Tetramisole	ME569366	0.99	NA	NA	1.01
7-piperazin-1-yl-Isoquinoline (hydrochloride)	ME567892	1.06	NA	NA	0.87
2-AI	ME567557	1.11	NA	NA	0.89
Norephedrine	ME569028	1.11	NA	NA	0.89
2-(1-Naphthyl)acetic acid	ME567513	1.15	0.49	NA	1.10
cis-Aconitic acid	ME568195	1.10	0.44	NA	1.36
N-Hydroxymethylphthalimide	ME568988	1.01	0.24	0.48	1.42
trans-2-Hydroxycinnamic acid	ME569416	1.20	NA	0.38	1.11
guanfacine	ME568549	NA	1.08	0.45	1.09
Tyr-Ser-OH	ME569487	NA	1.07	0.42	1.26
Trp-Glu	ME569469	0.31	0.81	NA	1.22
L-Cysteine	ME568709	NA	0.53	NA	1.08
Furegrelate	ME568477	NA	0.77	NA	1.08
His Phe Cys	ME568583	NA	0.80	NA	1.10
Methylergonovine	ME568858	NA	0.64	NA	1.36
Niflumic acid	ME568995	NA	0.74	NA	1.26
Phe-Ser-Lys	ME569146	NA	0.77	NA	1.23
8-Allyloxypsoralen	ME567895	NA	0.66	NA	1.17
Dextrorphan	ME568291	NA	0.66	NA	1.23
Trp Glu Ile	ME569461	0.11	1.08	0.05	1.51
Gly Glu Val Leu Ala	ME568520	0.48	1.03	0.15	1.64
Tyr Thr Arg Arg	ME569479	0.34	0.77	0.08	1.53
6-Methylthiochromanone	ME567864	NA	NA	0.22	1.78
5-Hydroxymaltol	ME567822	NA	0.24	NA	1.76
FAPy-adenine	ME568444	0.05	0.13	NA	1.74
Met Trp His	ME568838	0.10	0.13	0.08	1.71
Asp Gly His Ser Thr	ME568056	0.12	0.14	NA	1.87
Tyr Ala Phe Arg	ME569473	0.15	0.10	0.04	1.91
Tyr-Trp-OH	ME569489	NA	0.10	NA	1.90
Azithromycin	ME568072	0.02	0.00	0.01	1.99
Piperazine-N,N^-bis(2-hydroxypropanesulfonic acid)	ME569169	0.01	0.00	0.00	2.00
Urea	ME569497	0.00	NA	NA	2.00
Delphinidin 3-(6^^-p-coumarylglucoside)	ME568275	NA	0.07	NA	1.31
Asn-Nap-OH	ME568048	0.04	NA	0.05	1.48
Melphalan	ME568832	NA	0.04	NA	1.48
Xanthopterin	ME569536	NA	0.07	NA	1.47
2-Acetylamino-3-mercapto-3-methylbutyric acid	ME567556	0.40	0.33	NA	1.47
3^-Hydroxy-5,6,7,4^-tetramethoxyflavone	ME567675	0.40	0.43	NA	1.39
Nodinitib-1	ME569023	NA	0.31	NA	1.34
trans,trans-Muconic acid	ME569414	0.14	0.45	NA	1.35
Cholic acid	ME568183	0.70	0.40	NA	1.90
5-(4,4,6-trimethyl-2-thioxo-3,4-dihydropyrimidin-1(2H)-yl)naphthalene-2-sulfonic acid	ME567800	0.39	NA	0.37	1.62
cis-9-Hexadecenoic acid	ME568193	0.53	NA	NA	1.47
Monoacetyldapsone(MADDS)	ME568887	0.80	NA	NA	1.40
5-iPF2alpha-VI	ME567824	0.23	2.08	1.63	0.13
His Leu Thr Lys	ME568579	0.21	2.13	1.67	0.11
Arg Val Phe	ME568031	0.17	2.28	1.48	0.07
Arg Asn Ile Val Ala	ME568015	0.13	2.37	1.42	0.20
Asn Leu Pro Ala Lys	ME568045	0.11	2.40	1.45	0.09
Methcathinone	ME568847	NA	0.56	1.44	NA
Glu Pro Gly Tyr Ser	ME568510	NA	0.91	1.09	NA
Formetanate	ME568471	NA	0.73	1.13	NA
Phe Phe	ME569119	NA	0.84	1.32	NA
1,3,4,6-Tetra-O-acetyl-beta-D-mannopyranose	ME567437	NA	0.70	1.30	NA
(S)-HDAC-42	ME567394	NA	0.75	1.25	NA
Dimethyl sulfone	ME568326	NA	1.36	0.64	NA
Pyruvic acid	ME569253	NA	1.54	0.46	NA
Thiobenzoic acid S-n-butyl ester	ME569373	NA	1.30	0.73	0.33
2-Butenedioic acid, 2-methyl-, (Z)-	ME567569	NA	1.13	0.75	NA
FRAXIDIN METHYL ETHER	ME568472	NA	1.12	0.88	NA
Aminoguanidine	ME567992	NA	1.18	0.82	NA
S-ethyl N-[4-(trifluoromethyl)phenyl] Isothiourea	ME569310	NA	1.22	0.89	NA
CAY10654	ME568168	0.27	1.48	0.24	2.53
1-Methylnicotinamide cation	ME567499	0.29	1.25	0.14	2.33
Taurine	ME569352	0.15	1.30	0.24	2.32
2,2-Bis[hydroxymethyl]-2,2^,2^^-nitrilotriethanol	ME567525	0.18	1.94	0.18	1.90
ROSOLIC ACID	ME569270	0.23	1.83	0.15	1.94
Pilocarpine	ME569160	0.10	2.02	0.09	1.90
Secobarbital	ME569289	0.07	1.87	0.08	1.98
3-Ureidopropionic acid	ME567707	0.27	1.71	0.11	1.91
PPOH	ME569177	0.12	1.66	0.26	1.96
5-Hydroxy-L-tryptophan	ME567821	0.06	1.97	0.08	2.09
7-Hydroxy-4-methylcoumarin-3-acetic acid	ME567883	0.05	1.98	0.05	2.14
(S)-(-)-alpha-Methylbenzylamine	ME567392	0.01	1.72	0.05	2.23
4-Methylbenzylamine	ME567777	0.01	1.83	0.05	2.24
His-Pro	ME568594	0.00	1.79	0.01	2.20
Benzeneethanamine	ME568082	0.01	1.86	0.07	2.17
Carbidopa	ME568151	0.01	1.84	0.01	2.15
PyroGlu-Pro	ME569248	0.02	1.83	0.01	2.14
Caffeine	ME568141	0.09	1.68	0.11	2.07
L-NAME	ME568764	0.14	1.71	0.11	2.16
PIPENZOLATE	ME569168	0.16	1.66	0.17	2.34
Clenbuterol	ME568201	0.10	1.49	0.11	2.30
8-METHYLCAFFEINE	ME567899	0.11	1.57	0.17	2.16
Bilirubin	ME568110	0.19	1.58	0.08	2.22
SU 5416	ME569329	0.13	2.86	0.21	1.43
Ser Gln	ME569295	0.38	2.18	0.45	1.98
5-Methyl-5,6-Dihydrouracil	ME567831	0.25	2.23	0.04	1.31
D-Sorbitol	ME568390	0.42	2.18	0.07	1.32
L-alpha-Amino-gamma-butyrolactone	ME568686	0.29	2.21	0.27	1.23
2-Phenylbutyramide	ME567618	0.22	2.04	0.23	1.18
6-Aminopyridine-3-carboxamide	ME567847	0.28	2.02	0.37	1.27
Methaqualone	ME568846	0.06	2.37	0.05	1.88
Nefopam	ME568978	0.04	2.25	0.05	2.13
Val Phe Pro Phe Gln	ME569510	0.08	2.48	0.07	1.38
Pro Ile	ME569191	0.06	2.26	0.04	1.63
HUPERZINE A	ME568597	0.07	2.38	0.12	1.71
6,7-Dimethyltetrahydropterin	ME567843	0.12	2.41	0.12	1.55
Isocarbamid	ME568654	0.06	2.41	0.09	1.58
2-Methoxybenzylamine	ME567604	0.03	2.11	0.19	1.68
Benzyl alcohol	ME568095	0.05	2.08	0.15	1.72
1-Methyladenosine	ME567497	0.12	1.97	0.19	1.73
Phenol, 4-(2-aminoethyl)-	ME569132	0.05	2.02	0.21	1.72
thio-Miltefosine	ME569378	0.22	2.22	0.01	1.55
Tiapride	ME569406	0.10	2.21	0.16	1.53
Acetyl-DL-carnitine	ME567924	0.14	2.13	0.11	1.63
Acetyl-L-carnitine	ME567927	0.16	2.11	0.12	1.61
7-Diethylamino-3-(3,4-dimethoxyphenyl)coumarin	ME567879	0.32	2.19	0.39	1.52
Pimonidazole	ME569162	0.24	2.18	0.25	1.59
N5-(1-Imino-3-butenyl)-L-ornithine	ME568937	0.29	2.25	0.21	1.79
Pimelic acid	ME569161	0.17	2.23	0.43	1.75
DICTAMNINE	ME568304	0.77	1.49	0.86	1.36
N- (3-TRIFLUOROMETHYLPHENYL)PIPERAZINE (TFMPP)	ME568897	0.76	1.49	0.79	1.26
4-Hydroxynonenal	ME567761	0.67	1.42	0.57	1.22
Codeine	ME568206	0.75	1.50	0.56	1.19
butamben	ME568124	0.75	1.48	0.60	1.17
Metaproterenol	ME568841	0.75	1.48	0.60	1.17
alpha-Pyrrolidinopentiophenone	ME567984	0.61	1.48	0.61	1.27
UNDEC-2-ENE-8,10-DIYNOIC ACID ISOBUTYLAMIDE	ME569494	0.61	1.48	0.61	1.27
11-Deoxy-16,16-dimethylprostaglandin E2	ME567449	0.59	1.49	0.66	1.26
Dextromethorphan	ME568290	0.59	1.45	0.68	1.24
Pro Asn	ME569185	0.76	1.36	0.57	1.31
13-Keto-9Z,11E-octadecadienoic acid	ME567460	0.67	1.42	0.57	1.34
9-Oxo-10E,12Z-octadecadienoic acid	ME567910	0.67	1.42	0.57	1.34
Ala-Ala-Lys	ME567966	0.61	1.67	0.63	1.21
Phenylbutazone	ME569137	0.51	1.65	0.70	1.24
1-Oleoyl-L-alpha-lysophosphatidic acid	ME567505	0.57	1.55	0.60	1.04
Gln Ile Phe	ME568496	0.58	1.59	0.71	1.11
Glycine, N-acetyl-	ME568530	0.63	1.53	0.63	1.15
Pyruvaldehyde	ME569252	0.60	1.58	0.60	1.15
N-(3-Hydroxypropyl)phthalimide	ME568903	0.50	1.56	0.60	1.45
D-Glucosaminic acid	ME568294	0.37	1.58	0.57	1.48
D-Ornithine	ME568383	0.37	1.65	0.53	1.46
Ipecac (Emetine)	ME568649	0.38	1.36	0.55	1.42
Limaprost	ME568747	0.37	1.51	0.56	1.35
Ile-Ile-Lys	ME568627	0.38	1.37	0.68	1.57
Ile-Leu-Lys	ME568629	0.38	1.37	0.68	1.57
Thr Gly	ME569386	0.45	1.39	0.65	1.51
Propamocarb	ME569208	0.49	1.34	0.70	1.47
2-Phenylethanol	ME567619	0.45	1.39	0.72	1.47
Benzenemethanol, alpha-methyl-	ME568083	0.45	1.39	0.72	1.47
Arg-Ser	ME568034	0.41	1.45	0.79	1.35
N-Acetyl-L-alanine	ME568950	0.51	1.47	0.65	1.35
Naloxone	ME568961	0.49	1.51	0.73	1.32
3-Hydroxykynurenine	ME567679	0.43	1.32	0.89	1.36
Mundulone	ME568892	0.55	1.36	0.80	1.42
beta-Alanine	ME567400	0.54	1.29	0.81	1.36
Gly-Gly-Arg	ME568536	0.54	1.36	0.78	1.31
Pro Tyr Phe	ME569197	0.47	1.32	0.59	1.13
Apomorphine	ME568007	0.31	1.35	0.76	1.18
Asp His Ala	ME568058	0.41	1.46	0.93	1.21
4-(Dimethylamino)cinnamaldehyde	ME567714	0.78	0.90	0.48	1.42
D-Threitol	ME568391	0.61	1.10	0.43	1.25
L-phenylalanyl-L-proline	ME568771	0.79	1.52	0.36	1.34
Tri(propylene glycol) methyl ether	ME569426	0.82	1.31	0.30	1.57
Acebutolol	ME567916	0.60	1.15	0.71	1.59
Janex 1	ME568668	0.56	1.08	0.63	1.48
Theophylline	ME569369	0.57	1.10	0.51	1.54
2^-Hydroxy-2,3,4^,6^-tetramethoxychalcone	ME567582	0.76	1.06	0.57	1.68
3alpha,7alpha,12alpha-Trihydroxycholestanoic acid	ME567650	0.66	0.98	0.78	1.58
Tyr Leu	ME569475	0.70	0.99	0.68	1.63
L-Alloisoleucine	ME568698	0.75	1.26	0.56	1.43
L-Isoleucine	ME568754	0.75	1.26	0.56	1.43
Rabenzazole	ME569258	0.60	1.24	0.45	1.45
Ala Pro Ala	ME567960	0.68	1.37	0.49	1.45
L-Alanine, N-acetyl-	ME568695	0.65	1.33	0.52	1.49
Lycorine	ME568789	0.59	1.35	0.45	1.61
Anabasine	ME568000	0.53	1.35	0.46	1.56
O-Succinyl-L-homoserine	ME569064	0.48	1.35	0.46	1.52
(3-Carboxypropyl)trimethylammonium cation	ME567378	0.54	1.40	0.50	1.56
Prostaglandin A2 methyl ester	ME569213	0.50	1.40	0.52	1.51
cis-4-Hydroxy-D-proline	ME568191	0.62	1.20	0.56	1.62
trans-4-Hydroxy-L-proline	ME569419	0.62	1.20	0.56	1.62
1-Piperidinecarboxaldehyde	ME567509	0.71	1.23	0.41	1.65
19-Norandrosterone	ME567478	0.67	1.26	0.44	1.62
cis-9-palmitoleic acid	ME568194	0.62	1.29	0.45	1.64
F-Amidine	ME568443	0.46	1.24	0.28	1.60
CARBACHOL	ME568148	0.51	1.25	0.49	1.76
Isocytosine	ME568655	0.50	1.26	0.38	1.76
Ala Pro Ala Pro Lys	ME567961	0.12	1.96	0.16	1.34
Glu Ile Phe Lys	ME568508	0.04	1.85	0.08	1.55
5-Aminolevulinic acid	ME567811	0.51	1.86	0.22	1.41
L-Fucitol	ME568735	0.50	1.73	0.19	1.56
3-Oxo-1,8-octanedicarboxylic acid	ME567700	0.35	1.82	0.37	1.54
N-Nitrosopiperidine	ME569020	0.26	1.84	0.46	1.44
Linoelaidic Acid	ME568749	0.24	1.80	0.40	1.50
Linoleic acid	ME568750	0.24	1.80	0.39	1.51
2-Pyrrolidinone, 1-methyl-	ME567629	0.23	1.93	0.25	1.75
FK-866	ME568453	0.24	1.71	0.34	1.70
DMPO	ME568377	0.26	1.79	0.26	1.69
N-Acetylpyrrolidine	ME568957	0.28	1.74	0.26	1.72
Harmane	ME568560	0.29	1.67	0.79	1.69
NBD-FTY720 phenoxy	ME568967	0.20	1.27	0.18	1.99
2,2-Bis(hydroxymethyl)-3-quinuclidinone	ME567524	0.29	1.47	0.34	1.90
Phe Ala	ME569110	0.28	1.49	0.34	1.89
4-Quinolone-3-Carboxamide Furan CB2 Agonist	ME567798	0.30	1.36	0.31	1.91
Pro-Val	ME569219	0.35	1.35	0.35	1.94
Pro Pro Val	ME569194	0.47	1.57	0.64	1.72
Dibucaine	ME568301	0.39	1.28	0.55	1.78
Methyl-L-NIO	ME568859	0.38	1.40	0.64	1.82
N6-(1-Iminoethyl)-L-lysine	ME568939	0.38	1.40	0.64	1.82
Conjugated linoleic Acid (10E,12Z)	ME568209	0.26	1.64	0.45	1.60
Conjugated linoleic acid (9E,11E)	ME568210	0.26	1.54	0.44	1.71
1-Propanol, 3-amino-	ME567511	0.33	1.53	0.53	1.61
Choline cation	ME568184	0.40	1.57	0.43	1.59
delta-Valerolactam	ME567414	0.46	1.54	0.43	1.56
Ile Ser	ME568615	0.56	1.52	0.27	1.65
Ile-Ser	ME568633	0.56	1.52	0.27	1.65
N-Acetyl-DL-tryptophan	ME568947	0.38	1.58	0.33	1.71
Nalpha-Acetyl-L-glutamine	ME568923	0.35	1.49	0.37	1.80
4^-Methoxyflavanone	ME567769	0.42	1.49	0.38	1.75
5-Methoxyflavanone	ME567826	0.42	1.51	0.35	1.76
N-Acetyl-L-Histidine	ME568953	0.42	1.39	0.44	1.76
3-Methyl-gamma-butyrolactone	ME567688	0.54	1.44	0.38	1.71
cis-3-Hydroxy-DL-proline	ME568190	0.49	1.40	0.43	1.68
4^-METHOXYFLAVONE	ME567770	0.39	0.85	1.17	1.93
Ile-Gly	ME568624	0.27	0.78	1.07	1.88
Ile Gly Lys Ile Phe	ME568612	0.15	0.46	0.94	1.99
2-Fluoromethamphetamine	ME567579	0.17	0.59	1.10	2.13
Phe Val Lys Lys	ME569123	0.25	0.67	0.97	2.11
N-Methyl-alpha-aminoisobutyric acid	ME569005	0.15	1.34	0.69	1.82
Eflornithine	ME568404	0.25	1.09	0.81	1.93
N-Nitrosodi-n-butylamine	ME569018	0.16	1.12	0.83	1.89
Tropine	ME569457	0.23	1.13	1.32	1.32
Levoglucosan	ME568733	0.43	1.34	1.17	1.59
N-Acetylcadaverine	ME568943	0.23	1.12	1.07	1.57
6,7-Dimethoxy-2-phenylquinoxaline	ME567842	NA	1.49	NA	0.18
Fenbuconazole	ME568446	NA	1.46	0.08	NA
Triflumizole	ME569436	NA	1.48	0.03	NA
Phe-Thr-Lys	ME569147	0.23	1.77	NA	NA
beta-Nicotinamide mononucleotide	ME567409	0.31	1.69	NA	NA
CACODYLIC ACID	ME568139	0.37	1.63	NA	NA
Flumazenil	ME568459	0.26	1.30	NA	0.27
Lacto-N-fucopentaose III	ME568692	0.37	1.51	NA	0.17
3-Formylchromone	ME567673	0.75	1.50	NA	1.00
Asp Thr Gly Thr Ile	ME568059	0.59	1.80	NA	0.74
Fluvastatin	ME568468	0.10	1.34	0.18	1.09
Tyr-Pro-Lys	ME569485	0.10	1.34	0.11	1.27
1-Palmitoyl Lysophosphatidic Acid	ME567506	0.02	1.62	0.01	1.03
Ala Ala Ala Arg Phe	ME567947	0.02	1.58	0.01	1.11
Arg His His	ME568021	0.08	1.79	0.07	1.12
Thr-Trp-Lys	ME569401	0.07	1.68	0.09	1.21
N-Oleoyltaurine	ME569025	0.44	1.38	0.29	1.30
Chloramphenicol palmitate	ME568176	0.23	1.47	0.08	1.45
Propranolol	ME569210	0.13	1.58	0.08	1.58
Palmitic acid ethyl ester	ME569080	0.38	1.28	NA	1.05
Inabenfide	ME568640	0.36	1.35	NA	0.72
Phe Val Ser Glu Ala	ME569124	0.42	1.18	NA	0.85
NOMIFENSIN	ME569026	NA	1.15	NA	0.40
3^-Hydroxy-D-sepiapterin	ME567677	NA	1.22	NA	0.57
Fluorescein	ME568463	NA	1.26	NA	0.49
Succinic acid semialdehyde	ME569332	NA	1.35	NA	0.65
7-Piperazin-1-yl-thieno[2,3-c] Pyridine (hydrochloride)	ME567893	NA	1.50	NA	0.50
Lavendustin C	ME568704	NA	1.45	NA	0.55
2,6-Dimethylnaphthalene	ME567550	NA	1.36	NA	0.52
3,7-Dimethyluric acid	ME567648	NA	1.37	NA	0.44
LY294002	ME568787	NA	1.36	NA	0.82
Norharmane	ME569033	NA	1.28	NA	0.86
1-AMINO-3,3-DIETHOXYPROPANE	ME567481	NA	1.11	NA	0.89
4-Hydroxy-L-glutamic acid	ME567759	NA	1.12	NA	0.86
Cladribine	ME568198	NA	1.15	NA	0.85
4-Formylbenzonitrile	ME567748	NA	1.10	NA	0.95
Cyanazine	ME568231	NA	1.05	NA	0.95
Triphenyl phosphate	ME569447	NA	1.06	NA	0.98
CHELIDONINE (+)	ME568174	0.30	1.51	0.48	0.73
4-Chloro-3,5-dimethylphenol	ME567736	0.15	1.78	0.36	0.60
Gly Ala Asp Ile Lys	ME568515	0.12	1.51	0.24	0.63
Leu Gly Asn Val Thr	ME568715	0.12	1.51	0.24	0.63
5-Methylcytosine	ME567835	0.40	1.86	0.26	0.94
Palmitoyl 3-carbacyclic Phosphatidic Acid	ME569082	0.22	1.77	0.28	0.86
(+)-Cloprostenol methyl amide	ME567371	0.05	1.89	0.07	0.69
Met-Val-Arg	ME568872	0.04	1.91	0.07	0.63
Asn Lys Phe	ME568047	0.07	1.63	0.14	0.81
Thymophthalein	ME569405	0.10	1.70	0.16	0.77
Asn Ile Lys Asp	ME568043	0.05	1.79	0.04	0.85
Asp-Abu-OH	ME568062	NA	1.65	NA	0.78
Griseofulvin	ME568547	NA	1.66	0.34	0.32
Prostaglandin E2 p-benzamidophenyl ester	ME569215	NA	1.59	0.66	0.72
3-Methyluridine	ME567697	0.80	2.52	0.18	0.12
DHEA ENANTHATE	ME568296	0.59	2.36	0.18	0.51
2-Chloroadenosine	ME567572	0.59	2.05	NA	0.53
L-Homoserine	ME568743	0.84	2.02	0.18	0.45
Benzenethiol, 2-amino-	ME568085	0.50	2.01	0.50	NA
Itraconazole	ME568666	0.52	2.04	0.02	0.14
Ala Ala His	ME567948	0.64	2.15	0.24	0.17
Ala His Ala	ME567957	0.64	2.15	0.24	0.17
Methyl reserpate	ME568855	0.29	2.11	0.33	0.38
Phe Asn Ile Glu	ME569113	0.15	2.06	0.23	0.74
1-NA-PP1	ME567502	0.19	2.32	0.31	0.68
3-Methylglutaric acid	ME567695	0.21	2.24	0.23	0.82
a-L-Rhamnose	ME567986	0.20	2.20	0.08	0.51
NVP-AEW541	ME569042	0.13	2.27	0.19	0.52
O-Desmethylcarvedilol	ME569052	0.03	2.20	0.05	0.70
Pro Ile His Asp Arg	ME569192	0.02	2.40	0.01	0.58
4-Fluoromethcathinone	ME567746	NA	2.57	0.22	NA
Formestane	ME568470	0.06	2.57	0.07	0.17
Isopropylidene Azastreptonigrin	ME568662	0.03	2.37	0.04	0.16
Gln Thr Phe Asp	ME568500	NA	2.40	0.07	0.07
m-Fluoro-DL-phenylalanine	ME568875	0.05	2.44	0.04	0.03
7-Aminonitrazepam	ME567875	0.13	2.44	0.11	0.19
Galb1-3[Neu5Aca2,6]GalNAca-Thr	ME568484	0.16	2.39	NA	0.18
Thr Tyr Phe	ME569394	0.18	2.36	NA	0.19
Methiocarb sulfoxide	ME568849	0.03	2.18	0.03	0.09
Pyrazophos	ME569233	NA	1.97	0.03	NA
Gly Glu Tyr Ser Val	ME568519	0.02	2.02	NA	0.45
Aucubin	ME568067	NA	2.06	0.05	0.27
Xanthine	ME569534	0.08	2.05	0.20	0.23
3-Methyl-2-oxopentanoic acid	ME567691	0.84	2.67	0.85	0.80
RCS-4-C4 homolog	ME569262	0.78	2.86	0.50	0.76
2-Acetyl-5-tetrahydroxybutyl Imidazole	ME567555	0.16	2.49	0.15	1.19
HC Toxin	ME568563	0.16	2.39	0.23	1.05
2-Pyrrolidinone	ME567628	0.24	2.46	0.23	1.07
Deoxycytidine	ME568280	0.30	2.43	0.21	1.06
1-Octadecyl lysophosphatidic acid	ME567504	0.17	2.38	0.04	0.94
Leukotriene D4 methyl ester	ME568728	0.10	2.50	0.14	0.80
2-methyl-4-phenyl Thiazole	ME567609	0.18	2.49	0.35	0.88
Cordycepin	ME568213	0.19	2.63	0.33	0.84
Hydrocinnamic acid	ME568599	0.18	2.69	0.32	0.81
1,1,3-Trimethylurea	ME567428	0.15	2.73	0.42	0.69
Muramic acid	ME568893	0.23	2.62	0.41	0.73
N,N-HEXAMETHYLENEAMILORIDE	ME568920	0.33	2.86	0.34	0.77
Bisindolylmaleimide I	ME568113	0.21	2.73	0.17	0.72
3,4-Dimethylbenzoic acid	ME567642	0.23	2.62	0.18	0.64
Leu-Trp-OH	ME568730	0.15	2.63	0.25	0.63
Ile-Asp-Lys	ME568621	0.43	2.73	0.07	0.78
Anastrozole	ME568001	0.35	2.67	0.19	0.70
N-Octanoyl-L-homoserine lactone	ME569022	0.39	2.71	0.23	0.69
Asn Leu Pro Ile Asn	ME568046	0.04	2.84	0.05	0.74
Asn-Pro	ME568049	0.04	2.98	0.02	0.84
Gln-Asn	ME568503	0.16	2.73	0.19	1.09
Acridine Orange	ME567932	0.04	2.72	0.19	0.96
N-Acetyl-DL-serine	ME568946	0.14	2.82	0.09	0.95
2^-Hydroxy-beta-naphthoflavone	ME567581	0.81	2.13	0.94	0.73
2-carbazol-9-ylbenzoic acid	ME567571	0.65	2.24	0.85	0.74
4-Hydroxybenzaldehyde	ME567756	0.63	2.18	0.97	0.62
4-Hydroxyisoleucine	ME567758	0.45	2.23	0.79	0.53
Met-Ser-Lys	ME568871	0.40	2.33	0.74	0.63
Ile-Asn	ME568619	0.49	2.16	0.63	0.55
Tamsulosin	ME569351	0.38	2.09	0.77	0.50
Dibutyl phthalate	ME568303	0.51	2.36	0.78	0.41
Senecionine	ME569291	0.58	2.32	0.71	0.69
(4-Aminobutyl)phosphonic acid	ME567380	0.61	2.33	0.68	0.48
Adrenochrome	ME567942	0.63	2.42	0.64	0.59
Val Glu Val	ME569503	0.36	2.50	0.61	0.67
16,16-Dimethylprostaglandin F2alpha	ME567471	0.47	2.36	0.55	0.63
Adenine, N6-methyl	ME567937	0.48	2.40	0.53	0.53
Acetohexamide	ME567920	0.71	2.49	0.35	0.63
Inosine, 2^-deoxy-	ME568648	0.58	2.48	0.43	0.65
Dibutyl adipate	ME568302	0.47	2.56	0.48	0.54
Sarcosine	ME569281	0.48	2.52	0.43	0.57
2-Methylglutaric acid	ME567611	0.33	2.51	0.33	0.70
2-Butenoic acid, 3-methyl-	ME567570	0.45	2.46	0.38	0.66
D-Pyroglutamic acid	ME568387	0.47	2.56	0.32	0.65
Mebendazole	ME568826	0.47	2.57	0.34	0.68
Adenosine, 2^-deoxy-	ME567939	0.41	2.24	0.32	1.03
17,20-Dimethyl Prostaglandin F1alpha	ME567473	0.45	2.43	0.19	0.93
2^,3^-Dideoxycytidine	ME567529	0.30	2.38	0.51	0.80
Adenosine	ME567938	0.36	2.43	0.43	0.78
HYDROCOTARNINE	ME568600	0.40	2.45	0.42	0.73
DL-Dopa	ME568351	0.33	2.47	0.39	0.96
Coproporphyrin III	ME568211	0.41	2.35	0.44	0.93
L-N5-(1-Imino-3-pentenyl) ornithine	ME568763	0.36	2.37	0.37	0.84
Guanosine, 2^-deoxy-	ME568555	0.40	2.37	0.31	0.86
O-Acetyl-L-serine	ME569046	0.44	2.40	0.30	0.86
6H-Purin-6-one, 2-(dimethylamino)-1,7-dihydro-	ME567854	0.25	2.23	0.69	0.84
Galactosamine	ME568481	0.18	2.34	0.63	0.85
Asp Arg Val	ME568054	0.55	2.15	0.68	0.91
alpha-Methyl cinnamic acid	ME567397	0.47	1.97	0.61	0.87
Ser-Thr	ME569307	0.49	2.08	0.61	0.82
DL-3-amino-isobutanoic acid	ME568349	0.67	2.12	0.46	0.74
Ile Ile Met	ME568613	0.56	2.15	0.55	0.73
Leu Leu Met	ME568718	0.56	2.15	0.55	0.73
GUVACINE	ME568556	0.39	2.22	0.59	0.80
Adenine	ME567936	0.47	2.33	0.41	0.79
Phthalazinone pyrazole	ME569153	0.48	2.35	0.42	0.75
Isopentenyladenine	ME568661	0.50	2.21	0.49	0.80
Tebuconazole	ME569355	0.45	2.22	0.42	0.77
5-Amino-2-p-toluidinobenzenesulfonic acid	ME567808	0.76	2.30	0.79	NA
Pyridaben	ME569234	0.75	2.01	0.86	NA
Hydroquinone	ME568602	0.59	2.10	0.96	0.28
Ritodrine	ME569268	0.58	2.13	0.87	0.48
Ile-Glu	ME568622	0.78	1.90	0.90	0.42
CORALYNE	ME568212	0.82	2.11	0.72	0.26
S-(2-Boronoethyl)-L-cysteine	ME569273	0.85	2.05	0.81	0.29
(R)-Roscovitine	ME567391	0.22	2.07	1.02	0.20
ethyl 6,7-dimethoxy-4-oxo-2,3-dihydro-1H-naphthalene-2-carboxylate	ME568427	0.71	1.89	1.23	0.17
Tyr Val	ME569480	0.59	1.80	1.28	0.40
5-L-Glutamyl-L-alanine	ME567825	0.48	1.98	1.23	0.24
Val-Asp	ME569521	0.49	1.98	1.10	0.43
Methyl acetoacetate	ME568853	0.66	1.93	0.93	0.70
1-AMINOCYCLOBUTANE CARBOXYLIC ACID	ME567482	0.63	1.87	1.04	0.46
Equol	ME568414	0.66	1.82	1.06	0.56
2,2^-Dihydroxy-4,4^-dimethoxybenzophenone	ME567526	0.77	1.76	1.07	0.64
Gallacetophenone	ME568485	0.62	1.80	1.00	0.63
Tyr-Ile-Lys	ME569482	0.66	1.79	1.00	0.68
5,5-Dimethylimidazolidine-2,4-dione	ME567804	0.91	1.78	0.76	0.62
Difloxacin	ME568314	0.93	1.84	0.86	0.72
ISOEUGENITOL	ME568656	0.63	1.61	0.83	0.59
3-Cyano-7-hydroxycoumarin	ME567668	0.81	1.66	0.73	0.59
Chalcone	ME568172	0.76	1.79	0.81	0.51
DL-Norvaline	ME568364	0.77	1.73	0.91	0.59
9S,11R,15S-Trihydroxy-13E-prostaenoic acid	ME567913	0.74	1.63	0.87	0.74
PENTETRAZOLE	ME569101	0.78	1.64	0.84	0.74
Glycine, N-(2-hydroxybenzoyl)-	ME568529	0.70	1.63	0.89	0.79
O-Acetylsalicylhydroxamic Acid	ME569047	0.70	1.63	0.89	0.79
L-Phenylalanine, N-acetyl-	ME568770	0.69	1.66	0.84	0.81
p-Hydroxytriamterene	ME569156	0.73	1.65	0.82	0.80
Thr-Met-Lys	ME569400	0.60	1.48	1.06	0.65
Benzylamine	ME568097	0.70	1.44	0.92	0.68
15(R)-17-Phenyl trinor prostaglandin F2alpha	ME567463	0.71	1.57	1.01	0.61
Trimeprazine	ME569441	0.74	1.57	1.00	0.65
9-Ethyl-9H-carbazol-3-ylamine	ME567908	0.75	1.56	0.95	0.73
Entinostat	ME568410	0.69	1.56	0.97	0.76
2^,6^-Dihydroxy-4^-methoxyacetophenone	ME567549	0.80	1.39	0.85	0.53
(2E,6E)-2,6-bis(2-phenylhydrazono)cyclohex-4-ene-1,3-dione	ME567375	0.86	1.51	0.90	0.69
sec-Butyltriphenylphosphonium cation	ME569288	0.92	1.47	0.92	0.69
Gly Asp His	ME568518	0.94	1.57	0.99	0.51
N-Acetyl-L-glutamic acid	ME568952	0.87	1.58	0.98	0.58
p-Hydroxyphenyllactic acid	ME569155	0.86	1.58	0.97	0.63
Leu Arg Val Glu	ME568714	0.43	1.53	1.13	0.50
12-OPDA	ME567455	0.70	1.55	1.24	0.21
Flumequine	ME568460	0.71	1.63	1.22	0.56
Procarbazine	ME569202	0.67	1.64	1.12	0.43
gamma-L-Glu-epsilon-L-Lys	ME567418	0.80	1.63	1.11	0.47
Methyldopa	ME568856	0.78	1.55	1.12	0.42
HYMECROMONE METHYL ETHER	ME568604	0.64	1.34	0.62	0.75
1a,1b-Dihomo-9S,11R,15S-trihydroxy-5Z,13E-prostadienoic acid	ME567479	0.66	1.59	0.81	0.93
2,3-Naphthalenedicarboxaldehyde	ME567533	0.62	1.59	0.87	0.85
Butylated hydroxytoluene	ME568136	0.68	1.73	0.77	0.90
N-Isovaleroylglycine	ME568998	0.70	1.65	0.76	0.89
Ethylmethylmaleimide	ME568433	0.56	1.66	0.81	0.98
IPRIFLAVONE	ME568651	0.62	1.73	0.76	0.98
Ala-Gly-Arg	ME567968	0.56	1.56	0.82	1.06
Bisindolylmaleimide IV	ME568114	0.58	1.58	0.70	0.95
Arg Ala Thr	ME568014	0.59	1.55	0.58	0.82
Artemetin	ME568037	0.66	1.57	0.60	0.83
4-Pyrimidine Methanamine (hydrochloride)	ME567797	0.73	1.61	0.64	0.98
Harmine	ME568561	0.78	1.61	0.61	1.01
(+/-)-Propionylcarnitine	ME567368	0.80	1.73	0.50	0.91
Triamifos	ME569428	0.74	1.64	0.48	0.84
2,3-Methylenedioxy Pyrovalerone	ME567532	0.58	1.70	0.60	0.57
CITROPTEN	ME568197	0.54	1.77	0.72	0.55
Berberine cation	ME568100	0.83	1.62	0.53	0.47
Ampicillin	ME567997	0.70	1.49	0.69	0.49
Triphenylmethyl cation	ME569449	0.68	1.55	0.58	0.63
TODRALAZINE	ME569408	0.76	2.20	0.73	0.61
4-Aminopyridine	ME567735	0.79	2.00	0.67	0.54
AICAR	ME567945	0.61	1.99	0.73	0.55
beta-D-Glucopyranose, 1,6-anhydro-	ME567403	0.74	2.01	0.44	0.65
Nialamide	ME568990	0.78	1.87	0.61	0.70
S-(5^-Adenosyl)-L-methionine cation	ME569274	0.80	1.90	0.50	0.79
S107	ME569276	0.63	1.85	0.68	0.84
Procaterol	ME569203	0.71	1.96	0.68	0.74
Corynoline	ME568215	0.68	1.89	0.70	0.72
DL-Mevalonic acid lactone	ME568361	0.64	1.90	0.74	0.72
4-Amino-6,7-dimethoxy-2-(1-piperazinyl)quinazoline	ME567730	0.65	2.15	0.76	1.40
4^-Methyl-alpha-pyrrolidinobutiophenone	ME567772	0.14	1.88	0.79	1.21
butalbital	ME568123	0.24	1.89	0.74	1.13
Ile-Arg	ME568618	0.34	1.76	0.76	1.13
Val-Arg	ME569518	0.31	1.88	0.82	0.98
4,6-Dihydroxypyrimidine	ME567722	0.43	1.92	0.79	0.71
2^-Hydroxy-2,5,6^-trimethoxychalcone	ME567584	0.38	1.73	0.97	0.89
Succinamide	ME569331	0.40	1.75	0.99	0.86
DAN-1 EE	ME568266	0.56	1.79	0.99	0.91
Tyr-Lys-OH	ME569483	0.49	1.74	0.85	0.91
9(S)-HODE-d4	ME567903	0.77	2.11	0.33	1.13
Met-Glu-Arg	ME568843	0.72	1.75	0.60	1.45
D-Proline	ME568386	0.65	1.66	0.40	1.28
Pro Asp	ME569186	0.71	1.68	0.44	1.17
8,11-eicosadiynoic acid	ME567894	0.54	1.80	0.40	1.23
Cinchonine	ME568187	0.59	1.74	0.52	1.13
Bupirimate	ME568120	0.49	1.96	0.50	1.29
4-Chloromethandienone	ME567739	0.43	1.56	0.49	1.22
Val-Val-Arg	ME569526	0.51	1.68	0.36	1.39
Methyl 1-aminocyclopropanecarboxylate	ME568852	0.44	1.77	0.44	1.35
Oxaprozin	ME569068	0.37	1.78	0.50	1.39
D-Ala-D-Ala	ME568265	0.48	1.71	0.54	1.27
Diacetyl	ME568297	0.39	1.73	0.56	1.32
gamma-Aminobutyric acid	ME567416	0.36	1.81	0.55	1.27
Val Val Gly Asp Val	ME569516	0.66	1.69	0.30	0.96
3-Methylxanthine	ME567698	0.44	1.91	0.52	1.09
alpha-Cyano-4-hydroxycinnamic acid	ME567396	0.40	1.90	0.62	1.07
Cyclohexylaminopropanesulfonic acid	ME568238	0.50	1.98	0.54	0.98
Trinexapac-ethyl	ME569445	0.47	1.88	0.63	0.98
Chloropyramine	ME568178	0.53	1.87	0.60	1.01
3,4-Dihydrocoumarin	ME567639	0.52	1.91	0.57	1.02
4-Chromanone	ME567740	0.51	1.91	0.57	1.02
Ser His	ME569296	0.71	1.89	0.49	0.98
Lys-Trp	ME568812	0.63	1.86	0.47	1.01
Tyr-Pro	ME569484	0.65	1.85	0.42	1.08
Acipimox	ME567931	0.60	1.82	0.57	0.93
Ala-Val-Lys	ME567977	0.70	1.78	0.52	1.00
Mitoxantrone	ME568883	0.72	1.78	0.59	0.92
2-Mercaptobenzothiazole	ME567602	0.56	2.03	0.39	0.98
Calpain Inhibitor I	ME568142	0.51	1.90	0.48	0.75
DMABA-d4 NHS ester	ME568374	0.38	2.00	0.40	0.85
2-Methoxynaphthalene	ME567605	NA	NA	1.10	0.98
Butocarboxim sulfoxide	ME568131	NA	NA	0.71	1.15
15-Ketoprostaglandin E2	ME567468	NA	NA	0.82	1.09
1-Naphthaldehyde	ME567500	NA	NA	0.93	1.14
albendazole	ME567978	0.51	NA	1.47	1.03
Eriodictyol	ME568417	NA	NA	1.59	0.41
trans-trismethoxy Resveratrol-d4	ME569424	NA	NA	1.46	0.77
Ethyl hydrogen malonate	ME568428	NA	NA	1.30	0.70
Phenylpiperazine	ME569139	NA	NA	1.27	0.73
AM1220	ME567987	1.22	2.04	0.52	0.64
Cytosine	ME568254	1.24	1.93	0.13	0.40
Cytarabine	ME568251	1.28	1.88	0.40	0.37
Pentanedioic acid, monomethyl ester	ME569098	1.40	1.76	0.42	0.42
9,10-Dihydroxy-12Z-octadecenoic acid	ME567905	1.42	1.73	0.42	0.44
9(10)-EpOME	ME567901	1.43	1.74	0.40	0.43
2-Fluoropalmitic acid	ME567580	1.79	1.38	0.05	0.03
Guanine	ME568552	2.02	1.27	0.47	0.24
L-(-)-Fucose	ME568683	1.96	1.08	0.67	0.29
o-Methylbenzhydrol	ME569060	0.59	1.14	NA	NA
3-Hydroxy-7,2^,3^-trimethoxyflavone	ME567676	0.91	1.18	NA	NA
6-Azauridine	ME567848	0.85	1.15	NA	NA
Pro Tyr Gly	ME569196	0.84	1.16	NA	NA
2-Amino-4-chloro-6-methylpyrimidine	ME567560	1.18	0.82	NA	NA
Benzylphosphonic acid	ME568099	1.21	0.79	NA	NA
Dexamethasone phosphate	ME568288	1.07	0.87	NA	NA
Butamifos	ME568125	1.12	0.88	NA	NA
Lenalidomide	ME568712	1.15	0.85	NA	NA
Acetamiprid	ME567917	1.29	0.71	NA	NA
Tulobuterol	ME569472	1.41	0.59	NA	NA
4-Chlorobenzene-1,2-diamine	ME567737	1.71	0.71	NA	0.58
Thiofanox sulfoxide	ME569375	1.50	1.08	NA	0.69
N-(1,3-Dihydroxypropan-2-yl)-9-oxo-11R,15S-dihydroxy-5Z,13E-prostadienoyl amine	ME568900	1.23	1.57	0.36	0.92
Trp Thr Tyr	ME569464	1.38	1.55	0.72	0.97
Flurenol butyl ester	ME568464	1.57	1.45	0.04	0.98
N-Acetyl-D-glucosamine	ME568945	1.37	1.25	0.30	1.08
N-Acetyl-D-mannosamine	ME568948	1.50	1.11	0.29	1.10
1-Octadecanoyl-2-(4Z,7Z,10Z,13Z,16Z,19Z-docosahexaenoyl)-sn-glycero-3-phosphocholine	ME567503	0.68	0.73	NA	1.44
Derrusnin	ME568282	0.68	1.11	NA	1.11
2^,4^-Dihydroxyacetophenone	ME567542	0.71	1.02	NA	1.23
JWH 073 2^-naphthyl-N-(1-methylpropyl) isomer	ME568672	0.74	0.95	NA	1.22
JWH 073 4-hydroxyindole metabolite	ME568673	0.96	0.79	NA	1.28
Tinidazole	ME569407	0.93	0.97	NA	1.23
Creatinine	ME568223	1.12	1.31	0.03	1.54
HoPhe-TyrMe-OH	ME568596	1.19	0.93	0.06	1.49
His Tyr Ser	ME568590	1.14	1.10	NA	0.60
Methotrimeprazine	ME568850	1.26	0.99	NA	0.75
Splitomicin	ME569322	1.17	0.99	NA	0.77
Lys-Ser	ME568809	1.10	1.18	NA	0.84
1-Hydroxypyrene	ME567492	0.93	1.24	NA	0.71
N,N-Dimethylbenzylamine	ME568918	0.96	1.16	NA	0.91
4-Amino-7-chloroquinoline	ME567731	0.95	1.20	NA	0.83
His Ala Gln	ME568573	0.90	1.23	NA	0.82
Cyclotrisiloxane, hexamethyl-	ME568241	0.89	1.09	NA	1.04
L-Cysteinesulfinic acid	ME568710	1.01	1.04	NA	0.93
Phe Gln His	ME569115	1.11	1.00	NA	0.91
RETUSIN DIMETHYL ETHER	ME569264	1.07	0.99	NA	0.93
fenoldopam	ME568450	1.01	1.20	0.45	0.54
Pterine	ME569223	1.29	1.38	0.31	0.56
Fluroxypyr 1-methylheptyl ester	ME568465	1.65	NA	0.66	0.72
Ile-Thr-Lys	ME568636	1.92	NA	0.86	0.49
3-O-Methyl-L-DOPA	ME567699	1.37	NA	0.80	0.39
DIAZINON	ME568299	1.34	NA	1.07	0.59
Harmalol	ME568559	1.27	NA	0.92	0.53
1-Naphthoic acid	ME567501	1.26	0.28	1.01	0.75
Isoliquiritigenin	ME568657	1.33	NA	0.61	0.73
Hydroxybupropion	ME568603	1.14	NA	0.92	0.73
Maltol	ME568819	1.26	NA	0.83	0.72
Ajmalicine	ME567946	1.39	NA	0.90	0.81
Phe Ala Asn Lys	ME569111	1.37	NA	0.73	0.86
p-Chloroaniline	ME569090	1.31	0.20	0.80	0.94
Acetic acid, ethoxy-, ethyl ester	ME567918	1.15	NA	0.74	0.90
YM-53601	ME569541	1.15	NA	0.80	1.09
Acetonitrile	ME567921	1.01	NA	1.06	0.58
2^-Hydroxyflavanone	ME567598	0.76	NA	1.31	0.50
L-Histidine	ME568738	0.96	NA	1.27	0.56
Gliclazide	ME568491	1.16	NA	1.34	0.78
N-Fluorenylacetamide	ME568981	1.07	0.18	1.34	0.55
2,4(3H,5H)-Furandione	ME567537	0.54	NA	1.02	1.21
Glu Thr His	ME568511	0.78	NA	0.95	1.29
1,2,3,4-Tetrahydro-1-naphthylamine	ME567429	0.95	NA	0.87	1.30
ACETOCHLOR	ME567919	1.01	NA	0.87	1.36
Quinone	ME569257	0.93	NA	1.10	0.89
Dimethyl methylphosphonate	ME568325	0.99	NA	1.09	0.92
Propylphosphonic acid	ME569211	0.99	NA	1.09	0.92
Triphenylphosphine	ME569450	0.86	NA	1.07	1.15
Gln Phe Glu	ME568498	1.00	NA	0.99	1.02
Ser-Ile-Lys	ME569300	0.94	NA	0.92	1.14
3-Aminocoumarin	ME567661	1.61	0.50	0.90	0.45
CAY10397	ME568158	1.55	0.60	0.93	0.34
Nifedipine	ME568994	1.52	0.59	0.96	0.33
Trp Ala Glu	ME569459	1.35	0.75	0.72	0.37
7,8-DIHYDROXYFLAVONE	ME567874	1.39	0.67	0.89	0.49
Difenzoquat cation	ME568313	1.36	0.68	0.91	0.34
Uniconazole P	ME569495	1.28	0.48	0.82	0.60
IM-54	ME568639	1.46	0.51	1.00	0.61
3,7,3^-Trimethoxyflavone	ME567646	1.40	0.63	0.91	0.71
Salicylaldehyde	ME569278	1.44	0.60	0.98	0.73
2,3^,4,5^-Tetramethoxystilbene	ME567528	1.61	0.78	0.79	0.73
Lignocaine	ME568746	1.58	0.81	0.73	0.88
n-Propyl gallate	ME569038	1.33	0.95	0.84	0.67
Trioxsalen	ME569446	1.47	0.72	1.08	0.67
1-(3-Chlorophenyl)piperazine	ME567422	1.50	0.82	0.95	0.60
Triphenylphosphine oxide	ME569451	1.46	0.89	0.96	0.67
Butanoic acid	ME568126	1.44	0.88	0.89	0.91
Triphenylamine	ME569448	1.36	0.94	0.99	0.88
Karanjin	ME568678	1.36	0.72	1.02	0.81
Ile-Asp	ME568620	1.43	0.70	0.84	0.84
3^,4^-Methylenedioxy-alpha-pyrrolidinopropiophenone	ME567643	1.51	0.73	0.96	0.81
Normorphine	ME569034	1.45	0.80	0.93	0.78
2-Oxazolidinone, 3-amino-5-(4-morpholinylmethyl)-	ME567616	1.67	0.36	1.19	0.92
N-Oleoyl Glycine	ME569024	1.58	0.52	1.07	0.84
Buprenorphine	ME568121	1.81	0.50	0.90	0.76
Ser Arg Ile Lys	ME569293	1.73	0.50	0.94	0.69
4-Methyl-N-((4-methyl-1-piperazinyl)carbonyl)benzenesulfonamide	ME567781	1.65	0.63	0.77	0.54
Diphenylphosphine Acid	ME568335	1.74	0.55	0.78	0.66
Pentanol, 5-amino-	ME569099	1.79	0.71	0.96	0.54
Ergothioneine	ME568416	1.63	0.80	0.97	0.62
Phenytoin	ME569144	1.63	0.68	1.02	0.55
5-ethyl-2-nitro-9h-carbazole	ME567817	1.70	0.69	1.12	0.79
Bifenazate	ME568109	1.75	0.53	1.09	0.63
4-Amino-5-hydroxymethyl-2-methylpyrimidine	ME567729	1.64	0.59	1.11	0.66
(+/-)7-epi Jasmonic Acid	ME567364	1.58	0.59	1.21	0.62
6-Methylchromanone	ME567862	1.52	0.76	0.37	0.79
2-Methoxybenzoic acid	ME567603	1.49	0.84	0.41	0.78
4-(Aminomethyl)benzoic acid	ME567713	1.49	0.84	0.41	0.78
Ipratropium cation	ME568650	1.71	0.89	0.49	0.86
His Thr Tyr	ME568589	1.79	0.89	0.44	0.66
His Tyr Thr	ME568591	1.79	0.89	0.44	0.66
12-HYDROXY-4,4-BISNOR-4,8,11,13-PODOCARPATETRAEN-3-ONE	ME567453	1.67	1.14	0.68	0.45
Guanosine	ME568553	1.77	1.08	0.65	0.59
Palmatine	ME569078	1.58	0.95	0.64	0.80
1H-Indole-3-propanoic acid	ME567488	1.43	1.08	0.66	0.83
Piracetam	ME569170	1.45	1.08	0.63	0.84
Angelicin	ME568002	1.56	1.38	0.48	0.77
Triphenylpropargylphosphonium	ME569452	1.59	1.18	0.47	0.64
L-(+)-Gulose	ME568684	2.02	0.72	0.68	0.49
Trihexyphenidyl	ME569439	2.01	0.68	0.68	0.54
2-Imino-4-methylpiperidine	ME567599	1.82	0.81	0.70	0.67
TCEP	ME569354	2.01	0.85	0.80	0.75
Sulfadimethoxine	ME569337	1.67	0.80	0.52	0.35
CPX	ME568221	1.71	0.37	0.57	0.63
FLAVANONE	ME568455	1.78	0.48	0.55	0.51
1,2-Di-(9Z-octadecenoyl)-sn-glycero-3-phosphocholine	ME567432	2.24	0.31	0.54	1.36
Deoxycholic acid	ME568279	1.90	0.30	0.56	1.46
3beta-Hydroxy-5-cholenoic acid	ME567651	1.52	0.42	0.58	1.53
1,2-Dioctanoyl-sn-glycerol	ME567435	1.79	0.50	0.29	1.35
S-isopropyl Isothiourea	ME569313	1.72	0.43	0.46	1.30
D-(-)-Tagatose	ME568258	1.62	0.56	0.37	1.45
Prostaglandin F2alpha diethylamide	ME569216	1.65	0.63	0.18	1.54
Cytochalasin B	ME568253	2.00	0.58	0.78	1.14
Isomaltose	ME568658	1.83	0.38	0.68	1.11
cis-7-Hexadecenoic acid methyl ester	ME568192	1.89	0.71	0.43	1.01
D-(+)-Mannose	ME568262	1.66	0.68	0.57	1.10
PyroGlu-Glu-Lys	ME569246	1.68	0.54	0.65	0.98
5-Nitrosopyrimidine-2,4,6-triamine	ME567837	1.74	0.68	0.72	1.01
Ala-His-OH	ME567970	1.70	0.66	0.66	0.98
6-Maleimidocaproic acid	ME567858	1.49	0.64	0.92	1.10
Ethyl beta-carboline-3-carboxylate	ME568426	1.60	0.65	0.97	1.37
Lys Lys Gly	ME568795	1.50	0.73	0.51	1.30
U-83836E	ME569493	1.21	0.77	0.78	1.20
6-Ethoxy-4-methylcoumarin	ME567851	1.34	0.66	0.65	1.19
beta-Hydroxyethyltheophylline	ME567407	1.25	0.67	0.64	1.29
Pyridine-2-azo-p-dimethylaniline	ME569236	1.43	0.80	0.63	1.14
TEBUTHIURON	ME569356	1.31	0.96	0.65	1.21
Lactose	ME568693	1.31	1.01	0.55	1.14
Sucrose	ME569334	1.35	0.94	0.55	1.16
N- (2-AMINOETHYL)-4-CHLOROBENZAMIDE (RO-16-6491)	ME568896	1.10	1.08	0.45	1.89
2-(Cyclohexylamino)ethanesulfonic acid	ME567521	0.72	0.71	0.55	1.87
N-Methyl-D-aspartic acid	ME569008	0.74	0.77	0.60	1.88
Fumitremorgin C	ME568474	0.72	0.77	0.72	1.64
U-73122	ME569492	0.78	0.63	0.61	1.61
ALPHA,BETA-TREHALOSE	ME567983	0.99	0.65	0.50	1.86
Guanidineacetic acid	ME568550	1.08	0.77	0.49	1.66
Norfenfluramine	ME569031	1.19	0.76	0.53	1.52
m-Coumaric acid	ME568824	0.87	0.95	0.68	1.81
4-(Trifluoromethyl)benzylamine	ME567716	0.98	0.93	0.52	1.57
Butyryl-L-carnitine	ME568138	0.89	0.93	0.58	1.59
3-Methyladenine	ME567693	0.95	0.75	0.53	1.75
MDAI	ME568825	0.92	0.84	0.62	1.67
7(S),17(S)-Dihydroxy-8(E),10(Z),13(Z),15(E),19(Z)-docosapentaenoic Acid	ME567868	1.06	0.74	0.76	1.42
p-Phenetidine	ME569175	1.12	0.74	0.64	1.36
(+/-)-Furaneol	ME567366	1.03	0.89	0.68	1.43
4-Imidazoleacetic acid	ME567764	1.03	1.02	0.65	1.31
Hexaethylene glycol	ME568567	0.95	0.99	0.69	1.36
Evodiamine	ME568437	0.93	0.78	0.83	1.44
Methyl myristoleate	ME568854	0.92	0.90	0.79	1.33
Scytalone	ME569286	0.75	0.64	0.86	1.63
2,4-dichloro-N-propylbenzamide	ME567540	0.93	0.73	0.97	1.64
16-Phenoxy tetranor prostaglandin F2alpha methyl amide	ME567472	0.93	0.62	0.93	1.57
Dihydrokavain	ME568318	0.87	0.66	0.86	1.56
Lys-Leu	ME568804	1.12	0.66	1.06	1.16
2-methyl-1,3-Cyclohexanedione	ME567606	1.04	0.73	1.01	1.28
D-Turanose	ME568393	1.06	0.66	1.04	1.23
Thioguanine	ME569376	1.01	0.66	0.98	1.25
Decanoyl-L-carnitine	ME568272	0.90	0.73	0.92	1.32
Pro Ser Asn	ME569195	1.02	0.67	0.92	1.39
Ser Pro Asn	ME569298	1.02	0.67	0.92	1.39
(-)-N6-(2-Phenylisopropyl)adenosine	ME567359	0.90	0.67	1.08	1.07
CAY10622	ME568167	0.74	0.63	1.03	1.31
Arg Gly Leu	ME568020	0.87	0.73	1.11	1.27
Ser-Lys-OH	ME569303	0.86	0.66	1.06	1.23
5-Methoxytryptamine	ME567828	0.49	0.99	0.89	1.19
N17-Dimethylindole-3-carboxaldehyde	ME568932	0.49	0.99	0.89	1.19
Cyprodinil	ME568245	0.54	1.07	1.17	1.41
His Leu	ME568578	0.68	0.90	1.19	1.23
Ile-His	ME568625	0.68	0.90	1.20	1.22
DL-Methionine	ME568359	0.64	0.91	1.13	1.36
Tetraethylene glycol	ME569361	0.60	0.98	1.14	1.28
His Pro Ser	ME568585	0.88	1.13	0.93	1.49
Nepsilon-Acetyl-L-lysine	ME568926	0.66	1.12	0.81	1.41
N6-Carbamoyl-DL-Lysine	ME568940	0.61	1.08	0.89	1.41
Arg-Ala	ME568032	0.59	1.13	0.87	1.40
L-Alanyl-L-norleucine	ME568697	0.58	1.14	0.90	1.39
Enrofloxacin	ME568408	0.74	1.09	1.04	1.30
Lys-Ser-OH	ME568810	0.68	1.11	1.02	1.37
2-Phenylethynesulfonamide	ME567620	0.74	1.02	0.92	1.26
Arg Ile Thr	ME568024	0.70	1.12	0.91	1.30
Leu Leu Ser Pro Tyr	ME568719	0.67	1.09	0.97	1.28
5-APB	ME567815	0.81	0.89	0.88	1.54
Combrestatin A4	ME568207	0.70	0.91	0.96	1.51
Val-Asn-OH	ME569520	0.75	0.82	1.06	1.27
Thr Pro Gly	ME569392	0.76	0.94	1.00	1.34
Lys Leu Gly Gln Ser	ME568793	0.64	0.88	0.98	1.38
4-Guanidinobutanoic acid	ME567749	0.76	0.86	1.00	1.38
O-11	ME569044	0.72	0.84	1.00	1.39
trans-DELTA2-11-Methyldodecenoic Acid	ME569415	0.72	0.84	1.00	1.39
Mangostine	ME568822	0.74	0.85	0.82	1.33
Phe-Pro	ME569145	0.81	0.93	0.85	1.38
Pro Val Ala	ME569198	0.77	1.00	0.93	1.39
Pyrovalerone	ME569250	0.76	1.03	0.84	1.35
OXOLINIC ACID	ME569071	0.76	1.01	1.08	1.89
2-Amino-2-methyl-1,3-propanediol	ME567559	0.48	0.81	1.11	1.61
Leu Tyr Val Lys	ME568724	0.56	0.74	0.89	1.60
Pindolol	ME569164	0.54	0.87	0.88	1.71
Cys-Pro-Arg	ME568248	0.85	0.55	1.06	1.97
17alpha,20beta-Hydroxyprogesterone sulfate	ME567474	0.97	0.37	0.84	1.70
Salicylic acid	ME569279	0.95	0.34	0.92	1.93
Benzoic acid, 3-hydroxy-	ME568092	0.95	0.34	0.92	1.93
Benzoic acid, 4-hydroxy-	ME568093	0.95	0.34	0.92	1.93
Triethylenetetramine	ME569435	1.17	0.48	0.79	1.51
Atenolol	ME568065	0.92	0.37	1.06	1.63
Gly Arg Ala	ME568517	1.08	0.29	1.08	1.53
Diethyl phthalate	ME568309	0.69	0.49	1.17	1.66
Ile-Val	ME568638	0.68	0.51	1.36	1.46
S-Methyl-L-thiocitrulline	ME569315	0.70	0.51	1.25	1.42
5-benzyl-5-(pyridin-3-yl)imidazolidine-2,4-dione	ME567816	0.75	0.66	1.20	1.47
L-Histidine, 1-methyl-	ME568739	0.82	0.55	1.24	1.38
1,3,5-Triazine-2,4-diamine, N-cyclopropyl-N^-(1,1-dimethylethyl)-6-(methylthio)-	ME567438	1.19	0.46	1.00	0.99
dl-Isocitric acid lactone	ME568355	1.13	0.41	0.90	1.05
2,3-dinor Prostaglandin E1	ME567531	1.23	0.47	1.00	1.25
Arg Tyr Gln Lys	ME568029	1.25	0.43	1.11	1.17
Dipicolinic acid	ME568337	0.81	0.44	1.24	0.95
Benoxinate	ME568076	0.83	0.40	1.17	1.21
Lactitol	ME568691	0.87	0.44	1.04	1.12
Lys-Val	ME568813	0.82	0.54	1.40	1.24
15(S)-15-Methylprostaglandin F2alpha isopropyl ester	ME567464	0.93	0.44	1.26	1.32
DL-beta-Homophenylalanine	ME568343	0.99	0.44	1.33	1.24
N-Acetyltyramine	ME568958	0.99	0.44	1.33	1.24
2-Acetyl-5-(tetrahydroxybutyl)imidazole	ME567554	0.96	0.64	1.33	1.07
L-Ngamma-Monomethylarginine	ME568762	1.14	0.58	1.27	1.01
Proflavine	ME569205	1.11	0.46	1.24	1.07
4-Hydrazinobenzenesulfonic acid	ME567751	1.09	0.40	1.12	0.59
Achillin	ME567930	1.04	0.59	1.33	0.69
4-Methylmethcathinone	ME567780	1.06	0.47	1.25	0.70
JWH 081 5-methoxynaphthyl isomer	ME568674	1.11	0.57	1.23	0.64
Thr-Ala-Lys	ME569396	0.90	0.52	1.31	0.47
Bethanechol cation	ME568106	1.01	0.46	1.44	0.62
1,3,7-Trimethyluric Acid - 13C4,15N3 (2,4,5,6-13C4, 1,3,9-15N3)	ME567439	1.14	0.37	1.46	0.52
PARGYLINE	ME569088	1.09	0.45	1.37	0.52
Pentamidine	ME569097	1.43	0.52	1.19	0.86
Serotonin	ME569304	1.38	0.53	1.21	0.88
Acetylvalerenolic acid	ME567928	1.41	0.54	1.30	0.75
NERYL ACETATE	ME568980	1.31	0.61	1.24	0.78
Quinaldic acid	ME569254	1.28	0.48	1.23	0.96
Arg-Thr-Lys	ME568035	1.18	0.64	1.27	0.87
S,S^-1,4-Phenylenebis(1,2-ethanediyl)bisisothiourea	ME569275	1.17	0.69	1.20	0.89
L-Canavanine	ME568705	1.29	0.58	1.16	0.88
L-Citrulline	ME568708	1.24	0.62	1.21	0.92
N-alpha-(tert-Butoxycarbonyl)-L-Glutamic acid	ME568921	1.36	0.29	1.38	0.97
Ala Arg Gly	ME567951	1.34	0.36	1.35	0.87
Lactulose	ME568694	1.33	0.37	1.34	0.96
Ectoine	ME568403	1.20	0.47	1.48	0.84
LysoPE(16:1(9Z)/0:0)	ME568808	1.11	0.49	1.48	0.89
3-Acetyl-3-methyldihydrofuran-2-one	ME567654	1.26	0.52	1.36	0.79
11-Keto-beta-boswellic acid	ME567451	1.21	0.59	1.46	0.74
Arg Ala Leu Lys	ME568013	1.22	0.53	1.45	0.78
Butoxycarboxim	ME568133	0.98	0.83	1.61	0.86
Methylphenidate	ME568861	0.93	0.94	1.59	1.02
N-Methylephedrine	ME569010	0.83	0.96	1.42	0.79
ALANYL-dl-LEUCINE	ME567973	0.74	0.89	1.44	0.92
Pyracarbolid	ME569229	0.80	0.84	1.40	0.98
Glycyl-L-norleucine	ME568534	0.81	0.80	1.49	0.89
Val Glu	ME569502	0.88	0.86	1.46	0.81
Ile Ala	ME568610	0.89	0.85	1.39	0.87
Nalpha-Acetyl-L-lysine	ME568924	0.84	0.85	1.44	0.87
2,4-Dimethylacetanilide	ME567545	0.85	0.69	1.41	0.91
alpha-Phenylcyclohexylglycolic acid	ME567399	1.03	0.72	1.27	0.87
Desmetryn	ME568285	0.92	0.70	1.23	0.90
Y-27632	ME569539	0.98	0.83	1.46	0.90
3-(Cyclohexylamino)-2-hydroxy-1-propanesulfonic acid	ME567635	1.00	0.77	1.37	0.80
ACEXAMIC ACID	ME567929	0.99	0.75	1.40	0.86
2-Methyl-1-Pyrroline	ME567607	0.96	0.83	1.34	0.88
Isoxsuprine	ME568665	0.96	0.78	1.35	0.95
3^,4^-Dimethoxy-2^-hydroxychalcone	ME567641	0.94	0.97	1.27	0.72
DL-Phenylalanine	ME568368	1.00	1.02	1.24	0.73
NIPECOTIC ACID	ME568997	0.99	1.08	1.22	0.71
Butanoic acid, 3-hydroxy-	ME568129	1.12	0.84	1.26	0.73
Pyridoxamine	ME569239	1.07	0.93	1.23	0.78
N-Tris(hydroxymethyl)methyl-4-aminobutanesulfonic acid	ME569041	1.03	0.96	1.25	0.65
Isonicotinamide	ME568659	1.08	0.96	1.28	0.69
Succinic acid-2,2,3,3-d4	ME569333	1.08	0.96	1.28	0.69
1,2-Diamino-2-methylpropane	ME567433	0.98	0.94	1.36	0.72
L-Valine	ME568786	1.00	0.95	1.35	0.70
OXIBENDAZOLE	ME569069	1.01	0.84	1.34	0.74
4-Pyridinecarboxylic acid, 3-hydroxy-5-(hydroxymethyl)-2-methyl-	ME567795	1.03	0.92	1.31	0.74
Lys-Cys	ME568801	1.01	0.89	1.28	0.77
Dimethylformamide	ME568327	0.87	1.13	1.33	0.67
L-Threonine	ME568780	0.93	1.08	1.30	0.70
2-Ketobutyric acid	ME567601	0.79	1.10	1.40	0.74
3-(2-Pyridyl)propan-1-ol	ME567634	0.88	1.03	1.41	0.68
(4R)-4-Hydroxy-L-glutamic acid	ME567383	0.85	1.07	1.38	0.71
Di-tert-butyl peroxide	ME568338	0.99	0.94	1.45	0.62
L-Phenylalanine	ME568769	1.03	0.94	1.43	0.60
Gly-Val	ME568544	0.94	0.99	1.42	0.66
2-Amino-1-phenylethanol	ME567558	0.98	1.01	1.33	0.68
Dapsone	ME568267	0.95	1.04	1.36	0.66
Picrotin	ME569157	1.04	0.73	1.34	0.58
Pro-Tyr	ME569218	1.04	0.76	1.32	0.61
Swainsonine	ME569346	1.10	0.69	1.42	0.79
Aminoglutethimide	ME567991	1.03	0.74	1.44	0.72
Nalidixic acid	ME568960	1.06	0.69	1.39	0.67
TG003	ME569367	1.03	0.71	1.36	0.71
L-Pipecolic acid	ME568772	1.00	0.82	1.60	0.58
beta-Homoproline	ME567406	0.99	0.83	1.56	0.62
CYCLOLEUCINE	ME568239	0.98	0.84	1.58	0.60
Harmaline	ME568558	0.97	0.76	1.48	0.62
4-Penten-2-ol	ME567788	1.05	0.76	1.53	0.65
3-Buten-2-ol, 2-methyl-	ME567665	1.05	0.76	1.53	0.65
3-Methyl-2-buten-1-ol	ME567689	1.05	0.76	1.53	0.65
2,3-Pyridinedicarboxylic anhydride	ME567536	1.11	0.94	1.45	0.72
beta-Methylphenethylamine	ME567408	1.05	0.87	1.46	0.63
N-2-Hydroxyethylpiperazine-N-3-propanesulfonic acid	ME568936	1.00	0.84	1.47	0.67
L-Tyrosine	ME568784	1.05	0.82	1.42	0.71
DL-Octopamine	ME568365	0.98	0.83	1.45	0.75
L-Norleucine	ME568765	1.00	0.88	1.41	0.71
Molsidomine	ME568886	0.87	0.79	1.18	0.61
Ethyl vanillate	ME568430	0.84	0.67	1.42	0.59
N-Benzylaniline	ME568972	0.86	0.82	1.43	0.68
10-Acetyl-3,7-dihydroxyphenoxazine	ME567447	0.90	0.86	1.37	0.61
Acyclovir	ME567935	0.93	0.88	1.31	0.53
Glycine	ME568528	1.16	0.78	1.56	0.51
Atrazine	ME568066	1.25	0.72	1.57	0.46
L-(+)-Threose	ME568685	1.26	0.70	1.48	0.48
Ser-Pro	ME569305	1.41	0.67	1.37	0.55
Xanthurenic acid	ME569537	1.41	0.69	1.43	0.60
Benzoic acid, 2,6-dihydroxy-	ME568088	1.33	0.60	1.54	0.66
Phosphocholine	ME569151	1.33	0.62	1.50	0.64
DL-o-Tyrosine	ME568367	1.22	0.63	1.54	0.60
Pyrrolidine	ME569251	1.28	0.64	1.53	0.55
Jasmonic acid	ME568670	1.30	0.59	1.46	0.57
beta-D-Glucose	ME567404	1.31	0.62	1.51	0.56
Furafylline	ME568475	1.30	0.62	1.48	0.56
Iso-Olomoucine	ME568660	1.39	0.50	1.34	0.51
3-Methyladipic acid	ME567694	1.35	0.69	1.21	0.60
Jasmine lactone	ME568669	1.37	0.66	1.25	0.61
His Ser Lys Lys	ME568587	1.25	0.51	1.27	0.60
(+/-)Fenfluramine	ME567365	1.23	0.64	1.24	0.64
Thr-Ile-OH	ME569398	1.24	0.56	1.24	0.69
Cyclopropanecarboxylic acid, 1-amino-	ME568240	1.22	0.83	1.49	0.46
2-Butenedioic acid, 2-methyl-, (E)-	ME567568	1.14	0.87	1.44	0.49
3-Hydroxypyridine	ME567682	1.21	0.89	1.44	0.46
4-Hydroxypyridine	ME567763	1.21	0.89	1.44	0.46
L-beta-Homoserine	ME568687	1.19	0.96	1.46	0.39
(+-)-2-cis-4-trans-Abscisic acid	ME567369	1.23	1.02	1.37	0.38
L-Glutamic acid	ME568736	1.18	1.04	1.44	0.34
Glu Glu	ME568507	1.28	0.90	1.36	0.33
trans-Cinnamic acid	ME569421	1.25	0.93	1.38	0.43
Sumaresinolic acid	ME569344	1.24	0.78	1.33	0.68
Vidarabine	ME569530	1.23	0.74	1.46	0.58
JNJ-10198409	ME568671	1.18	0.82	1.34	0.53
Ile-Glu-Lys	ME568623	1.25	0.77	1.41	0.60
(-)-Verbenone	ME567363	1.24	0.81	1.38	0.57
1-Methyl-3-phenylpropylamine	ME567496	1.25	0.81	1.37	0.58
L-Carvone	ME568707	1.25	0.81	1.37	0.57
Ser-Pro-Lys	ME569306	1.20	1.00	1.35	0.57
Hypoxanthine	ME568606	1.26	0.87	1.27	0.60
N-(4-sec-Butylphenyl)-2-(2-pyrimidinylthio)acetamide	ME568908	1.17	0.89	1.29	0.63
Meconine	ME568829	1.24	0.68	1.27	0.36
TRIM	ME569440	1.33	0.81	1.36	0.26
AMRINONE	ME567998	1.22	0.58	1.48	0.30
MONOCROTALINE	ME568888	1.14	0.78	1.42	0.34
Tenovin-6	ME569359	1.05	0.73	1.41	0.36
2^,4^,6^-Trimethoxychalcone	ME567539	0.73	0.52	2.05	0.53
L-Leucyl-L- Alanine	ME568756	0.88	0.59	2.06	0.47
7-Diethylamino-3-formylcoumarin	ME567881	1.01	0.63	1.87	0.48
L-Thyronine	ME568781	0.82	0.59	1.77	0.54
His Ser Ser	ME568588	0.54	0.98	2.00	0.48
L-Lysine, N-[(1,1-dimethylethoxy)carbonyl]-	ME568758	0.67	0.85	2.09	0.39
Papaverine	ME569085	0.70	0.80	1.70	0.30
N,N-Diethylisonicotinamide	ME568915	0.78	0.84	1.90	0.47
Thr Ile His	ME569389	0.73	0.95	1.80	0.46
His Lys Gln Lys	ME568580	0.78	0.70	2.18	0.26
Sequiterpene Lactone 326	ME569292	0.62	0.72	2.01	0.19
ALBIZZIINE	ME567979	0.85	0.95	1.99	0.21
N-[Tris(hydroxymethyl)methyl]-3-aminopropanesulfonic acid	ME568930	1.00	0.78	1.92	0.29
p-FLUOROPHENYLALANINE	ME569109	0.45	0.39	1.67	0.65
4-Amino-1-butanol	ME567727	0.62	0.71	1.87	0.79
4-Methyl-5-thiazoleethanol	ME567774	0.69	0.64	1.89	0.72
3-Acetylcoumarin	ME567657	0.85	0.68	1.64	0.66
Cycloguanil	ME568236	0.75	0.63	1.64	0.70
6-Hydroxymelatonin	ME567857	0.74	0.75	1.73	0.78
raclopride	ME569259	0.80	0.74	1.76	0.67
Descarboethoxyloratadine	ME568283	0.66	0.63	1.68	0.80
Val Val	ME569515	0.83	0.59	1.75	0.83
Diaminopimelic acid	ME568298	0.93	0.82	1.75	0.51
ACRIFLAVINIUM	ME567933	0.88	0.92	1.61	0.65
S-(2-Aminoethyl)isothiourea	ME569272	0.91	0.93	1.62	0.67
Chelerythrine cation	ME568173	0.52	0.85	1.69	0.85
L-Sorbose	ME568778	0.65	0.98	1.59	0.73
Lys-Asn	ME568800	0.63	1.02	1.58	0.77
D-Pipecolinic acid	ME568385	0.68	0.90	1.70	0.72
2-Ethyl-2-(p-tolyl)malonamide	ME567577	0.72	0.81	1.57	0.74
2-Hydroxychalcone	ME567596	0.66	0.86	1.58	0.65
Xanthone	ME569535	0.85	0.30	1.52	0.97
MIGLITOL	ME568879	1.08	0.29	1.77	0.85
4^-Methyl-alpha-pyrrolidinopropiophenone	ME567776	0.89	0.44	1.69	0.85
Cumylamine	ME568228	0.86	0.38	1.81	0.76
Vaccenic acid	ME569501	0.91	0.44	1.84	0.80
Palmitoleic Acid ethyl ester	ME569081	0.91	0.44	1.84	0.80
3-Hydroxyoctadecanoic Acid	ME567681	0.91	0.44	1.84	0.80
Oleic Acid	ME569054	0.91	0.44	1.84	0.80
Mafenide	ME568815	0.85	0.34	1.57	0.48
Thiamine cation	ME569372	0.98	0.64	1.69	0.69
3-methyl-N-2-naphthylbutanamide	ME567696	0.86	0.54	1.58	0.71
Olanzapine	ME569053	0.87	0.49	1.53	0.59
1-(4-Hydroxyphenyl)ethanone	ME567423	1.03	1.28	0.93	0.79
FENDILINE	ME568448	1.04	1.21	0.95	0.79
DMABA NHS ester	ME568373	1.08	1.30	0.96	0.66
Licofelone	ME568745	1.03	1.36	0.90	0.67
Bufalin	ME568119	0.90	1.22	0.96	0.93
Procainamide	ME569201	0.90	1.17	0.98	0.83
Arg Thr Glu	ME568027	0.97	1.23	0.82	0.98
Pramoxine	ME569179	1.00	1.17	0.82	1.01
Urea, N,N^-dimethyl-	ME569498	1.03	1.20	0.82	0.96
Ethanol, 2-(2-ethoxyethoxy)-	ME568421	0.98	1.18	0.89	0.95
2-(4-Pyridinyl)malonaldehyde	ME567519	0.98	1.20	0.91	0.90
Arachidonoyl amide	ME568010	0.99	1.16	0.93	0.92
Indole-3-acetonitrile	ME568643	0.99	1.23	0.86	0.92
4-Hexylresorcinol	ME567750	1.01	1.21	0.89	0.88
N1-Acetylspermidine	ME568933	1.04	1.22	0.87	0.87
2-Phenylpropionaldehyde	ME567621	0.83	1.44	0.86	0.79
3-Phenoxy-1-propanol	ME567701	0.79	1.46	0.87	0.80
DODECAHYDRO-8^^-HYDROXY-1^^,2^(5^H)-FURAN-5^,5^^-[5H-1,4A](METHANOXYMETHANO)NAPHTHALEN]-2,9^^-DIONE	ME568379	0.78	1.48	0.89	0.86
Thymidine	ME569403	0.76	1.53	0.90	0.81
2,4-Di-tert-butyl-6-(5-chloro-2H-benzotriazol-2-yl)phenol	ME567546	0.84	1.40	0.94	0.86
9-Aminoacridine	ME567907	0.90	1.43	0.92	0.90
Caffeic Acid	ME568140	0.93	1.37	0.95	0.90
Ala-Pro	ME567974	0.92	1.35	0.83	0.89
DL-Arginine	ME568350	0.88	1.31	0.90	0.91
2,2^-Bipyridylamine	ME567523	0.83	1.45	1.16	0.81
Pantothenic acid	ME569084	0.69	1.41	1.02	0.87
1-ACETYLPIPERIDINE	ME567480	0.72	1.40	1.10	0.79
Benzoic acid, 3-amino-, methyl ester	ME568091	0.69	1.37	1.10	0.84
Phe Arg Thr Glu	ME569112	0.80	1.24	1.02	0.68
2-Amino-5-methyl-4-phenylthiazole	ME567562	0.92	1.34	0.99	0.65
Levulinic acid	ME568734	0.93	1.33	1.01	0.76
(4-Chlorophenyl)biguanide	ME567381	0.84	1.29	1.03	0.83
Gln Lys Lys	ME568497	0.86	1.40	1.04	0.81
N-Nitrosopyrrolidine	ME569021	0.94	1.26	0.62	1.35
Paraxanthine	ME569087	0.88	1.09	0.66	1.27
3,4-Dihydroxyphenyl ethanol	ME567640	0.94	1.14	0.63	1.29
Xylometazoline	ME569538	0.92	1.19	0.60	1.24
SB 431542	ME569282	0.95	1.20	0.90	1.26
Sumatriptan	ME569345	0.96	1.31	0.85	1.21
(-)-11-nor-9-carboxy-delta-9-THC	ME567356	0.69	1.19	0.85	1.27
5-Aminovaleric acid	ME567814	0.65	1.23	0.90	1.23
N-Tigloylglycine	ME569039	0.61	1.22	0.89	1.28
1,2-Benzenedicarboxylic acid	ME567430	0.82	1.17	0.87	1.16
L-Tryptophan	ME568782	0.76	1.18	0.86	1.20
Pro Ala Leu	ME569184	0.79	1.19	0.84	1.18
Indoleacrylic acid	ME568646	0.73	1.23	0.90	1.15
DL-Indole-3-lactic acid	ME568354	0.72	1.25	0.82	1.20
N-Methylpropionamide	ME569013	0.76	1.25	0.82	1.16
2-Pyrrolidone-5-carboxylic acid, methyl ester	ME567630	0.88	1.18	0.75	1.19
N5-(1-Iminoethyl)-L-ornithine	ME568938	0.86	1.22	0.74	1.22
Protopine	ME569217	0.85	1.23	0.75	1.21
N8-Acetylspermidine	ME568941	0.87	1.30	0.69	1.15
Strychnine	ME569327	0.94	1.28	0.73	1.11
N-Carboxyethyl-gamma-aminobutyric acid	ME568976	0.78	1.34	0.69	1.19
Pro Leu	ME569193	0.77	1.36	0.63	1.24
Ile-Pro	ME568632	0.68	1.31	0.75	1.26
Val-Arg-Arg	ME569519	0.77	1.28	0.74	1.27
Asp-Pro	ME568064	1.03	1.48	0.57	0.92
D-(+)-Galactose	ME568260	1.10	1.39	0.56	0.94
6,9-Diamino-2-ethoxyacridine	ME567844	1.15	1.32	0.56	0.79
Lys-Ile-OH	ME568803	1.09	1.27	0.50	0.92
IU1	ME568667	1.14	1.13	0.64	0.92
Sulfolane	ME569343	1.14	1.19	0.66	0.87
Propylpyrazole Triol	ME569212	1.15	1.15	0.74	1.17
Dihydroartemisinin	ME568317	1.00	1.23	0.69	1.04
7-Diethylamino-3-(4-ethoxyphenyl)coumarin	ME567880	1.06	1.17	0.71	1.09
N-(9S,11R,15S-Trihydroxy-5Z,13E-prostadienoyl)ethanolamine	ME568909	1.01	1.16	0.73	1.08
beta-Lapachone	ME568104	0.70	1.53	0.74	1.04
Triamcinolone	ME569427	0.81	1.52	0.77	1.09
(+)-Chlorpheniramine	ME567370	0.75	1.37	0.78	1.10
4-Pyridylamidoxime	ME567796	0.81	1.43	0.73	1.05
Venlafaxine	ME569528	0.81	1.44	0.69	0.99
4,2^-Dihydroxy-3-methoxychalcone	ME567718	1.01	1.44	0.78	0.95
1,3-Dicyclohexylurea	ME567440	0.95	1.40	0.73	0.92
1-(p-Tolyl)butan-1-one	ME567427	0.93	1.45	0.69	0.87
Pro Ala	ME569183	1.03	1.31	0.72	0.94
S(-)-Cathinone	ME569271	0.93	1.34	0.75	1.02
2,5-Di-tert-butyl-1,4-benzoquinone	ME567548	0.93	1.60	0.42	1.05
3-Aminobutanoic acid	ME567660	0.91	1.46	0.45	1.18
9(S)-HODE	ME567902	0.91	1.45	0.57	1.07
Pinolenic acid	ME569166	0.91	1.45	0.57	1.07
Isobutyryl carnitine	ME568653	0.80	1.55	0.62	1.09
Tripropylene glycol	ME569454	0.85	1.55	0.54	1.11
Sulfisoxazole	ME569342	1.05	1.44	0.33	1.17
2alpha-Mannobiose	ME567551	1.00	1.28	0.51	1.21
Nigerose	ME568996	1.00	1.28	0.51	1.21
Diphenylmethylphosphine oxide	ME568334	1.03	1.26	0.38	1.06
O-2545 (hydrochloride)	ME569045	0.85	1.28	0.44	1.10
Val Ile Val	ME569507	0.73	1.13	1.05	1.11
Val Val Leu	ME569517	0.73	1.13	1.05	1.11
1H-Imidazole	ME567487	0.76	1.20	0.94	1.10
D-Tryptophan	ME568392	0.77	1.17	0.98	1.09
Tetramethylammonium cation	ME569363	0.80	1.13	1.04	1.03
N-(naphthalen-1-yl)benzamide	ME568911	0.79	1.23	1.06	1.02
Triethyl phosphate	ME569433	0.82	1.18	1.07	0.96
Gln Ser	ME568499	0.74	1.21	1.12	0.94
Leu-Val	ME568731	0.68	1.17	1.09	1.06
Val-Leu	ME569523	0.68	1.17	1.09	1.06
Ala-Val	ME567976	0.72	1.16	1.11	1.01
Leu-Gly	ME568727	0.72	1.17	1.12	0.99
Cardiogenol C	ME568153	0.84	1.35	0.90	1.12
Lyso-PC(16:0)	ME568806	0.71	1.36	1.00	0.96
4,4^-dimethyl[1,1^-biphenyl]-2,2^,5,5^-tetrol	ME567719	0.73	1.31	0.99	1.06
(R)-Lisofylline	ME567390	0.74	1.29	0.96	0.99
Ile Gln	ME568611	0.52	1.21	0.95	1.33
Phe Leu	ME569118	0.54	1.19	1.02	1.25
Ile-Phe	ME568631	0.54	1.19	1.02	1.25
Phe Ile	ME569117	0.54	1.19	1.02	1.25
5-METHYL-7-METHOXYISOFLAVONE	ME567833	0.53	1.37	1.00	1.10
DL-alpha-Lipoamide	ME568340	0.56	1.28	1.05	1.11
4-phenyl-5-methyl-1,2,3-Thiadiazole	ME567790	0.53	1.22	0.94	1.13
Nylidrin	ME569043	0.58	1.31	0.91	1.18
Leu-Leu	ME568729	0.63	1.28	0.94	1.15
Leu Ile	ME568716	0.63	1.28	0.94	1.15
Ile-Leu	ME568628	0.63	1.28	0.94	1.15
Ile-Ile	ME568626	0.63	1.28	0.94	1.15
Ile Leu	ME568614	0.63	1.28	0.94	1.15
Melatonin	ME568831	0.41	1.35	1.07	1.17
Val Gly	ME569504	0.45	1.32	1.12	1.11
L-902,688	ME568689	0.53	1.25	1.18	1.10
Lys-Thr	ME568811	0.42	1.20	1.22	1.15
Val-Gly	ME569522	0.44	1.25	1.17	1.14
Pro Val Ala Glu Val	ME569199	0.49	1.07	1.08	1.06
N2-Acetyl-L-ornithine	ME568935	0.62	1.06	1.13	1.18
N-alpha-Acetyl-L-ornithine	ME568925	0.62	1.06	1.13	1.18
7-Methylguanine	ME567890	0.48	1.15	1.13	1.24
Apocynin	ME568006	0.56	1.17	1.13	1.16
2^-Hydroxy-6^-methoxyacetophenone	ME567593	0.56	1.17	1.13	1.16
2^-Hydroxy-4^-methoxyacetophenone	ME567589	0.56	1.17	1.13	1.16
2^-Hydroxy-5^-methoxyacetophenone	ME567591	0.56	1.17	1.13	1.16
L-Arginine	ME568699	0.53	1.47	0.91	1.09
Ser-Val	ME569309	0.52	1.47	0.97	1.04
Val Tyr	ME569513	0.55	1.46	0.98	1.00
Cycluron	ME568242	0.63	1.46	0.91	0.99
Ile-Ala	ME568617	0.63	1.36	0.96	1.04
DL-Pyroglutamic acid	ME568370	0.54	1.56	1.05	0.90
Ser-Leu	ME569302	0.53	1.49	1.11	0.87
Cys-Gly-Arg	ME568247	0.47	1.55	1.16	1.00
Thr-Leu	ME569399	0.42	1.42	1.16	1.00
Tramadol	ME569413	0.39	1.50	0.84	0.78
7-Diethylamino-3-phenylcoumarin	ME567882	0.44	1.27	0.87	0.87
Asp Arg Phe	ME568052	0.53	1.37	0.77	0.97
trans-2-Phenylcyclopropylamine	ME569417	0.85	0.93	1.33	0.89
4-Imidazoleacrylic acid	ME567765	0.78	1.02	1.29	0.91
Gabapentin	ME568479	0.81	1.04	1.36	1.02
Methabenzthiazuron	ME568844	0.82	0.98	1.32	0.98
8-piperazin-1-yl-Isoquinoline (hydrochloride)	ME567900	0.69	1.10	1.19	1.06
N-Nitrosonornicotine	ME569019	0.68	1.05	1.27	0.97
His Val	ME568592	0.78	1.12	1.14	0.96
Flavone	ME568456	0.81	1.05	1.11	1.03
Gaboxadol	ME568480	0.84	1.06	1.13	0.97
Ala Leu Leu	ME567958	0.81	0.98	1.17	1.04
Gly-Asp-Lys	ME568524	0.84	1.00	1.20	1.05
Benzoic acid, 2-fluoro-	ME568089	0.78	1.01	1.20	1.02
Val Ile Ile	ME569506	0.75	1.04	1.18	1.03
1-(4-Methoxyphenyl)-2-propanone	ME567424	0.77	0.93	1.23	1.05
LysoPE(15:0/0:0)	ME568807	0.76	1.01	1.15	1.09
Gly-Leu	ME568537	0.72	0.97	1.19	1.11
Val-Ser-Lys	ME569524	0.75	0.94	1.17	1.09
4-Acetyl-1-methylcyclohexene	ME567725	0.64	0.65	1.14	1.00
Arg Ile Glu Asp	ME568023	0.74	0.66	1.20	1.02
4-hydroxy Nonenal Mercapturic Acid	ME567752	0.71	0.80	1.34	1.14
(-)-Riboflavin	ME567362	0.75	0.88	1.24	1.13
Ala Asp His	ME567952	0.72	0.87	1.27	1.14
Asp Ala His	ME568051	0.70	0.86	1.30	1.14
Ala-Ile	ME567971	0.88	0.73	1.25	1.14
3,5-Dihydroxybenzyl alcohol	ME567645	0.76	0.76	1.22	1.15
Hydralazine	ME568598	0.78	0.77	1.14	1.18
3-Aminopyrazine-2-carboxylic acid	ME567662	0.65	1.16	1.52	0.88
Nepsilon-Methyl-L-lysine	ME568927	0.70	0.98	1.48	0.84
Glu Leu	ME568509	0.67	1.07	1.37	0.89
Ile-Thr	ME568635	0.66	0.99	1.40	0.96
Cuneatin methyl ether	ME568229	0.56	0.97	1.19	0.80
DL-threo-PDMP	ME568372	0.51	0.97	1.31	0.96
His Gly Val	ME568577	0.50	1.07	1.40	0.82
3-Pyridinecarboxylic acid, 1,6-dihydro-6-oxo-	ME567704	0.69	1.28	1.17	0.87
Gly-Pro	ME568540	0.64	1.26	1.25	0.85
F16 cation	ME568441	0.79	1.20	1.23	0.90
(2-Aminothiazol-4-yl)acetic acid	ME567374	0.77	1.22	1.18	0.82
Thr Asn	ME569383	0.75	1.22	1.18	0.86
PF-750	ME569107	0.75	1.30	1.20	0.78
SC-66	ME569284	0.76	1.27	1.12	0.82
Acetyl-DL-Leucine	ME567925	0.80	1.31	1.10	0.79
N-Acetyl-D-norleucine	ME568949	0.82	1.28	1.13	0.77
Cymiazole	ME568243	0.88	1.22	1.21	0.68
Phe Gly	ME569116	0.83	1.21	1.19	0.77
Phenylacetaldehyde	ME569136	0.85	1.19	1.23	0.73
4-Ethoxy-7-methoxycoumarin	ME567743	0.81	1.12	1.26	0.87
Butanoic acid, 2-amino-, (R)-	ME568127	0.83	1.10	1.25	0.82
Butanoic acid, 2-amino-, (S)-	ME568128	0.83	1.10	1.25	0.82
Amiloride	ME567989	0.89	1.08	1.20	0.85
DL-Propargylglycine	ME568369	0.83	1.12	1.17	0.88
Agomelatine	ME567944	0.46	1.39	1.24	0.82
Phe Val	ME569122	0.51	1.31	1.28	0.89
Val Phe	ME569509	0.51	1.31	1.28	0.89
1-Piperazinecarboxamide, N,N-diethyl-4-methyl-	ME567508	0.56	1.17	1.13	0.96
Val-Val	ME569525	0.64	1.18	1.23	0.95
D-Fructose	ME568292	1.32	0.94	0.75	1.01
Diisopropylethylamine	ME568321	1.25	1.02	0.79	0.94
3-(N-Morpholino)-2-hydroxypropane sulfonic acid	ME567637	1.18	0.99	0.82	1.12
CAY10572	ME568164	1.06	1.02	0.80	1.06
4-Methylcinnamic acid	ME567779	1.07	0.67	0.86	1.13
Butylphosphonic acid	ME568137	1.22	0.74	0.96	1.05
Oxprenolol	ME569072	1.04	0.83	0.93	1.15
L-Glutamine	ME568737	1.12	0.81	0.98	1.09
Norethindrone	ME569030	1.10	0.82	0.90	1.10
Syringic acid	ME569349	1.11	0.75	0.93	1.08
6,6^-(1,2-phenylene)bis(1,3,5-triazine-2,4-diamine)	ME567841	1.20	0.83	0.91	0.86
DEA	ME568270	1.20	0.95	0.94	0.91
Trietazine	ME569431	1.26	0.88	0.95	0.90
15-Deoxy-DELTA12,14-prostaglandin D2	ME567465	1.15	0.89	0.85	1.05
Artemisinin	ME568038	1.13	0.88	0.95	1.02
Phenylpropiolic acid	ME569140	1.16	0.89	0.91	1.04
7-Methoxyflavanone	ME567888	1.05	0.91	1.01	0.97
1-Propanol, 2-amino-2-methyl-	ME567510	1.10	0.93	0.96	1.01
4-Methyl-1H-pyrazole	ME567773	1.09	0.98	0.96	0.97
4-Hydroxybutanoic acid lactone	ME567757	1.00	1.01	0.80	1.19
Chloroquine	ME568179	0.91	0.97	0.85	1.17
Thiocarlide	ME569374	1.00	0.93	0.86	1.16
Putrescine	ME569226	0.94	0.91	0.90	1.25
Pyrantel	ME569230	0.97	0.91	0.95	1.28
Pentosidine	ME569102	0.92	0.88	1.05	1.20
Benzoic acid	ME568087	0.90	0.96	1.03	1.17
Diphenylamine	ME568332	0.93	0.92	0.97	1.19
Thiamet G	ME569371	1.03	0.99	1.01	0.96
2-Aminoisobutyric acid	ME567565	1.02	1.03	0.99	0.96
Tris(hydroxymethyl)aminomethane	ME569455	1.02	1.03	1.00	0.96
4-Ethoxycoumarin	ME567744	0.99	1.09	1.01	0.93
Crotamiton	ME568227	1.02	1.10	0.96	0.92
JWH 081 N-(5-hydroxypentyl)	ME568675	0.97	0.98	1.01	1.04
Dinor-12-oxophytodienoic Acid	ME568330	0.98	1.05	0.95	1.01
Decanoyl m-Nitroaniline	ME568271	0.91	1.07	0.99	1.01
4^-Methoxy-alpha-pyrrolidinopropiophenone	ME567768	0.94	1.03	0.95	1.06
6-Aminocaproic acid	ME567846	0.93	1.05	0.97	1.05
3-Pyridinecarboxaldehyde	ME567702	1.00	0.97	1.12	0.91
Metronidazole	ME568869	1.01	0.94	1.08	0.96
N,N-Bis(2-hydroxyethyl)-2-aminoethanesulfonic acid	ME568913	0.96	1.03	1.14	0.87
Gln-Arg-Arg	ME568502	0.90	1.04	1.12	0.93
4-Methylcatechol	ME567778	0.95	1.07	1.03	0.94
Benzaldehyde	ME568077	0.94	1.06	1.06	0.93
Benzenemethanol, 4-hydroxy-	ME568084	0.94	1.06	1.06	0.93
Diethyl pyridine-2,4-dicarboxylate	ME568310	0.80	1.05	1.05	1.15
N-Methylbenzamide	ME569007	0.84	1.03	1.00	1.14
2^-Hydroxy-3,4,6^-trimethoxychalcone	ME567586	0.92	1.10	0.89	1.18
4-Nitrosodiphenylamine	ME567786	0.88	1.08	0.85	1.12
Meperidine	ME568834	0.93	1.10	0.89	1.00
CAY10574	ME568165	0.86	1.11	0.94	1.09
Indole-3-acetamide	ME568642	0.87	1.17	1.01	1.04
Cyclohexylamine	ME568237	0.89	1.14	0.95	1.02
Phthalic anhydride	ME569154	0.91	1.14	0.96	1.03
epsilon-Caprolactam	ME567415	1.13	0.81	1.08	0.97
13,14-Dihydro-15-keto-tetranor prostaglandin F1beta	ME567458	1.21	0.68	1.11	0.97
beta-Chloro-D-alanine	ME567401	1.23	0.78	1.09	0.92
4-(2-Hydroxyethyl)piperazine-1-(2-hydroxypropanesulfonic acid)	ME567709	1.06	0.72	1.03	0.80
Trimethoprim	ME569442	1.08	0.60	1.01	0.94
Mesoporphyrin IX	ME568835	1.13	0.94	1.09	0.86
Oxymatrine	ME569074	1.12	0.93	1.10	0.84
1,4,6-Trimethylnaphthalene	ME567442	1.11	0.94	1.06	0.88
8-Methoxycoumarin	ME567897	1.10	0.98	1.04	0.88
4-Pyridinecarboxylic acid	ME567794	1.10	0.87	1.15	0.87
7,8-Dihydroneopterin	ME567873	1.10	0.91	1.14	0.80
Sulfamethoxazole	ME569340	0.87	0.82	1.19	0.82
L-Methionine	ME568759	0.97	0.90	1.29	0.84
N-(3-Oxooctanoyl)-L-homoserine lactone	ME568905	1.00	0.90	1.19	0.87
5-Hydroxyisovanillic acid	ME567820	0.96	0.88	1.20	0.91
L-Ornithine	ME568766	0.97	0.91	1.20	0.92
Dulcin	ME568394	0.94	0.91	1.07	1.08
3-Methyl-4-pentenoic acid	ME567692	0.97	0.91	1.11	1.03
Pinacidil	ME569163	0.93	0.87	1.14	1.04
Avobenzone	ME568068	0.84	0.92	1.15	1.04
2,4-Dihydroxybenzophenone	ME567543	0.91	0.94	1.14	0.97
N-Desmethylclozapine	ME568977	0.92	0.96	1.12	1.04
Terbutaline	ME569360	0.87	1.01	1.11	1.02
4-Morpholinopropanesulfonic acid	ME567783	0.99	0.80	1.07	1.12
Gly Val Arg	ME568523	0.98	0.78	1.08	1.04
Ethylmorphine	ME568434	1.00	0.79	1.17	1.04
Acetyl-DL-Valine	ME567926	1.02	0.85	1.17	0.96
Gly Ala His	ME568516	1.07	0.79	1.16	0.96
Tyr Thr Arg	ME569478	1.19	0.74	1.33	0.81
L-Saccharopine	ME568775	1.15	0.72	1.22	0.71
2-Octenoic acid, (E)-	ME567615	1.23	0.82	1.20	0.77
2-Propyl-2-pentenoic acid	ME567625	1.23	0.82	1.20	0.77
2^,4^-Dihydroxy-4-methoxychalcone	ME567541	1.22	0.82	1.10	0.55
N-Acetyl-L-tyrosine	ME568954	1.30	0.94	1.01	0.75
2,4,6-Triallyloxy-1,3,5-triazine	ME567538	1.22	0.96	1.06	0.64
Perillaldehyde	ME569105	1.17	0.90	1.03	0.67
delta2-trans-Hexadecenoic Acid	ME567412	1.27	0.97	1.11	0.71
N-benzyl-1-methyl-1H-pyrazolo[3,4-d]pyrimidin-4-amine	ME568970	1.24	0.88	1.16	0.67
Clomazone	ME568202	1.42	1.13	1.09	0.72
delta2-cis-Hexadecenoic Acid	ME567411	1.28	1.10	1.00	0.67
Ala-Gly	ME567967	1.18	1.10	0.97	0.75
Glycyl-L-4-Hydroxyproline	ME568533	1.18	1.13	0.97	0.73
DMABA-d6 NHS ester	ME568375	1.16	1.09	1.08	0.76
(2-Mercaptopropionylamino)acetic acid	ME567376	1.10	1.12	1.06	0.71
Glu-Pro	ME568514	1.11	1.13	1.01	0.75
L-Serine	ME568776	0.99	1.18	1.14	0.70
N-Hexanoyl-L-homoserine lactone	ME568986	1.00	1.13	1.12	0.72
L-Proline	ME568773	1.04	1.08	1.19	0.69
4-Ethynylaniline	ME567745	1.04	1.12	1.15	0.69
DL-Ornithine	ME568366	1.05	1.12	1.14	0.69
7-Methyladenine	ME567889	0.98	1.14	1.06	0.82
Ethanol, 2-(2-butoxyethoxy)-	ME568420	1.01	1.09	1.08	0.76
His Ser	ME568586	0.97	1.10	1.06	0.61
2,3-Pentylone isomer	ME567535	1.01	0.97	1.15	0.62
Lys-Gly-OH	ME568802	1.06	1.03	1.11	0.64
Pro-Ala-Arg	ME569200	1.21	1.01	1.10	0.27
1-Aminocyclohexanecarboxylic acid	ME567483	1.27	1.15	1.08	0.49
D-Aspartic acid	ME568268	1.29	1.09	1.16	0.47
L-Aspartic acid	ME568702	1.29	1.09	1.16	0.47
DL-2,3-Diaminopropionic acid	ME568345	1.15	1.21	1.14	0.50
Norfloxacin	ME569032	1.12	1.21	1.06	0.61
2,4-Dimethoxyaniline	ME567544	1.13	1.26	1.36	0.25
Naphazoline	ME568964	1.08	1.04	1.50	0.39
O-BENZYL-l-SERINE	ME569050	1.10	1.14	1.36	0.40
Ethenodeoxyadenosine	ME568422	1.05	1.04	1.33	0.54
Pyridoxine	ME569240	1.05	1.11	1.33	0.52
Clozapine	ME568205	0.84	1.41	1.10	0.62
Pentylone	ME569104	0.90	1.38	1.17	0.61
Alanap	ME567972	0.86	1.33	1.31	0.45
3-Indoleacetic acid	ME567684	0.83	1.46	1.22	0.48
MCI-186	ME568823	0.84	1.35	1.21	0.53
Tolmetin	ME569411	0.84	1.37	1.23	0.48
Aminodiphenylmethane	ME567990	0.84	1.25	1.42	0.57
Benzhydrol	ME568086	0.84	1.25	1.42	0.57
DL-Homoserine	ME568353	0.92	1.15	1.36	0.58
O-Methyl-DL-serine	ME569061	0.92	1.15	1.36	0.58
7-Hydroxyflavanone	ME567885	0.73	1.25	1.19	0.51
Bromopride	ME568117	0.80	1.15	1.28	0.46
Beclomethasone	ME568075	0.72	1.39	1.44	0.60
Fluoranthene	ME568462	0.56	1.56	1.46	0.45
Ellipticine	ME568406	0.52	1.07	1.30	0.45
3-[N,N-Bis(2-hydroxyethyl)amino]-2-hydroxypropanesulfonic acid	ME567652	0.57	1.33	1.64	0.50
gamma-D-Glutamylglycine	ME567417	0.71	1.23	1.62	0.44
3-Fluoromethcathinone	ME567672	0.59	1.14	1.80	0.47
Dodecyl sulfate	ME568380	0.68	1.06	1.61	0.61
Thr His Ile	ME569387	0.68	1.02	1.70	0.51
Pyridine, 4-methyl-	ME569235	0.97	1.53	0.75	NA
D-(-)-Ribose	ME568257	1.23	1.33	0.92	0.29
N-Acetyl-L-aspartic acid	ME568951	1.45	1.32	0.91	0.31
Mepanipyrim	ME568833	1.00	1.14	1.01	0.24
D-Xylose	ME568397	1.02	1.43	1.08	0.16
D-Ribulose	ME568388	1.08	1.41	1.06	0.31
Phenylephrine	ME569138	1.06	1.30	1.07	0.39
TEGASEROD	ME569357	1.01	1.28	1.03	0.31
Aniline	ME568003	1.10	1.72	0.84	0.50
Gln Val Ile Asp	ME568501	1.17	1.56	0.93	0.39
Methoxamine	ME568851	1.23	1.63	0.97	0.23
4-Imidazolecarboxaldehyde	ME567766	1.31	1.24	0.77	0.68
N-Tris(hydroxymethyl)methyl-2-aminoethanesulfonic acid	ME569040	1.26	1.16	0.88	0.50
Ammeline	ME567995	1.08	1.33	0.82	0.49
4^-Methylacetophenone	ME567775	1.11	1.36	1.00	0.53
5-Methylcytidine	ME567834	1.15	1.36	0.95	0.53
Phencyclidine	ME569129	0.99	1.56	0.73	0.64
EUGENITOL	ME568436	1.18	1.44	0.65	0.55
Castanospermine	ME568156	1.12	1.48	0.82	0.58
Gly-Phe-Arg	ME568539	1.12	1.48	0.82	0.58
Diethylene glycol hexyl ether	ME568311	0.07	0.34	1.80	1.52
Trp Ser His	ME569463	NA	0.75	1.61	1.65
3-Amino-4-hydroxybiphenyl	ME567658	0.55	0.91	2.08	1.23
Pentoxifylline	ME569103	0.69	1.00	1.94	1.00
Chloroxuron	ME568180	0.51	1.16	1.77	0.92
Pro Gly Phe	ME569190	0.39	1.09	1.72	0.81
Sophoraflavanone B	ME569317	0.41	0.89	1.75	1.02
Trp-Met(O)	ME569470	0.27	0.79	1.66	1.00
N-Methyltryptamine	ME569014	0.70	0.86	1.65	1.03
3,7,8,4^-Tetramethoxyflavone	ME567647	0.73	0.65	1.43	1.04
15-Keto-protaglandin F2alpha	ME567469	0.69	0.71	1.52	0.98
L-Methionine, N-acetyl-	ME568761	0.64	0.76	1.53	1.07
1,5-Diaminonaphthalene	ME567444	0.31	0.75	1.38	1.13
Dinitramine	ME568329	0.34	0.87	1.42	1.18
2-Phenylpropionic acid	ME567622	0.44	0.69	1.41	1.41
Pyroquilon	ME569249	0.45	0.91	1.25	1.22
N1-(3-Aminopropyl)-N1-methylpropane-1,3-diamine	ME568931	0.60	0.71	1.36	1.29
Betaine	ME568102	0.59	0.83	1.32	1.26
Ile-Lys	ME568630	0.54	0.83	1.40	1.23
Arctigenin	ME568012	0.55	0.64	1.79	1.61
Adiphenine	ME567940	0.44	0.44	1.59	1.41
Gly-Pro-Lys	ME568541	0.47	0.59	1.71	1.24
Triethylene glycol	ME569434	0.47	0.59	1.70	1.24
Sodium lauryl sulfate	ME569316	0.47	0.53	1.85	1.12
Tacrine	ME569350	0.65	0.55	1.92	1.11
Epoxiconazole	ME568412	NA	0.87	1.34	0.46
Benzeneacetic acid, 2-hydroxy-	ME568081	NA	0.73	1.38	0.52
Chicoric acid	ME568175	NA	0.73	1.38	0.52
PDM 11	ME569094	NA	0.77	1.47	1.00
KOPARIN 2^-METHYL ETHER	ME568681	NA	1.08	1.49	0.68
Pentazocine	ME569100	NA	1.09	1.61	0.80
CARAPIN-8 (9)-ENE	ME568147	NA	0.92	1.05	1.34
NG-Amino-L-arginine	ME568984	NA	0.50	1.09	1.21
5-(3-Indolylmethylene)barbituric acid	ME567799	NA	0.66	1.17	1.00
4-Aminomethylindole	ME567734	NA	0.76	1.00	1.08
6-tert-Butyl-3-methylsulfanyl-2H-1,2,4-triazin-5-one	ME567867	NA	0.87	1.04	1.11
5-Allyloxypsoralen	ME567807	NA	1.22	0.73	0.81
2-DPMP	ME567576	NA	1.11	0.80	0.99
Arg Tyr Met	ME568030	NA	1.10	0.74	1.01
2-Amino-m-cresol	ME567566	NA	1.24	0.84	0.68
2-Benzoylbenzoic acid	ME567567	NA	1.28	0.99	0.73
Fuberidazole	ME568473	NA	1.28	0.99	0.74
DESOXYPEGANINE	ME568287	NA	1.16	1.20	0.75
Glu Val Gln Glu	ME568512	NA	1.12	1.03	0.71
7-Hydroxyisoflavone	ME567886	NA	1.11	1.00	0.90
Ala-Ala-Arg	ME567965	NA	1.07	1.00	0.94
2^-Hydroxy-3,4,5-trimethoxychalcone	ME567585	NA	1.01	1.09	0.80
D 4476	ME568255	NA	0.95	1.11	0.84
Lys Leu Arg Val Asp	ME568792	0.12	1.40	1.85	0.29
16,16-Dimethyl-6-ketoprostaglandin E1	ME567470	0.26	1.75	1.41	0.58
N-Acetyl-D-galactosaminitol	ME568944	0.21	1.59	1.27	0.94
Gln-Asp-Arg	ME568504	0.49	1.49	1.48	0.96
Ser Asn Val	ME569294	0.27	1.46	1.48	0.78
Chrysophanol	ME568186	0.18	2.60	0.04	2.63
Daidzein	ME568264	0.23	2.69	0.03	2.48
PROMETRYN	ME569207	0.48	3.51	0.63	1.02
Tauroursodeoxycholic acid	ME569353	0.42	3.81	0.43	0.88
Thiotepa	ME569382	0.63	2.84	0.82	NA
Gamma-Glu-Leu	ME568486	0.39	2.76	0.61	0.23
Buturon	ME568134	0.38	2.58	0.60	0.21
Phe-Val-Lys	ME569149	0.36	2.63	0.61	0.34
Asp Arg Tyr	ME568053	0.47	2.48	0.48	0.35
L-gamma-Glutamyl-L-glutamic Acid	ME568688	0.53	2.65	0.50	0.31
Clasto-lactacystin beta-lactone	ME568199	0.67	2.73	0.68	0.40
5-Hydroxymethyl-2-furaldehyde	ME567823	0.66	2.52	0.56	0.35
D-(-)-Citramalic acid	ME568256	0.65	2.47	0.67	0.21
Loxistatin acid	ME568768	0.61	3.18	0.04	0.17
Tetraethylene glycol monomethyl ether	ME569362	0.65	2.93	0.07	0.49
beta-Estradiol 3-(beta-D-glucuronide)	ME567405	0.22	2.69	0.39	NA
(4-Methyl-1-naphthalenyl)(1-pentyl-1H-indol-3-yl)methanone	ME567382	0.10	2.75	0.12	0.20
Amoxapine	ME567996	NA	2.76	NA	0.12
Go-6983	ME568546	0.07	2.97	0.04	0.26
CORYNANTHINE	ME568214	0.23	2.97	0.27	0.10
3-Hydroxyquinidine	ME567683	0.16	2.94	0.15	0.11
5-Aminoimidazole-4-carboxamide	ME567809	0.13	3.04	0.16	0.16
4-Amino-9-methoxypsoralen	ME567732	0.26	3.21	0.50	0.43
7,8-Diallyloxy-4-methylcoumarin	ME567871	0.19	3.11	0.38	0.43
5-Methoxyindoleacetate	ME567827	0.27	3.01	0.41	0.39
Nomega-Acetylhistamine	ME568928	0.28	3.05	0.29	0.38
PP2	ME569174	0.45	2.78	0.33	0.26
Demethylclomipramine	ME568278	0.32	2.82	0.41	0.27
DROPROPIZINE	ME568389	0.35	2.93	0.45	0.26
12,13-DiHOME	ME567452	0.42	2.88	0.22	0.41
Pyrimethamine	ME569241	0.43	2.87	0.48	0.48
Ceranib-2	ME568170	0.31	2.87	0.38	0.48
N-benzylideneaniline n-oxide	ME568973	0.28	2.81	0.33	0.55
1-Methyl-3-i+A511sobutylxanthine	ME567495	0.44	3.18	0.41	0.82
Lys Ile Asp	ME568791	0.35	3.10	0.05	0.62
Val Lys Glu	ME569508	0.35	3.10	0.05	0.62
MRE-269	ME568891	0.35	3.19	0.24	0.55
Trp(Dioxidation)-Asn	ME569466	0.24	3.05	0.27	0.64
Neostigmine	ME568979	0.09	3.27	0.75	0.27
butabarbital	ME568122	0.30	3.20	0.10	0.39
Hexylglutathione	ME568571	0.40	3.25	0.17	0.27
3-Aminopyridine	ME567663	0.31	3.16	0.33	0.20
Ascochitin	ME568039	0.23	3.19	0.22	0.21
Histamine	ME568595	0.27	3.33	0.28	0.12
PyroGlu-Ala	ME569244	0.33	3.33	0.32	0.26
Oleoyl 3-carbacyclic phosphatidic acid	ME569056	0.02	3.29	0.03	0.07
N-Acetylaspartylglutamic acid	ME568942	0.10	3.46	0.33	0.12
EAM2201	ME568400	0.18	3.30	0.15	0.23
4-O-beta-Galactopyranosyl-D-mannopyranose	ME567787	0.07	3.39	0.16	0.11
Octopine	ME569051	0.14	3.37	0.23	0.18
CGP 57380	ME568171	0.35	3.73	0.23	0.38
Arg Gly Asp	ME568019	0.31	3.65	0.17	0.16
EVOXINE	ME568438	0.33	3.69	0.18	0.02
N-Acetylneuraminic Acid, 2,3-Dehydro-2-deoxy-	ME568955	0.08	3.82	0.06	0.04
Tyr-Ser-Lys	ME569486	0.17	3.73	0.05	0.03
3-Deaza-2^-deoxyadenosine	ME567669	0.08	3.68	0.10	0.03
N-(3-Indolylacetyl)-L-isoleucine	ME568904	0.09	3.69	0.10	0.12
(-)-N-Acetylneuraminic acid	ME567360	0.18	3.62	0.03	0.17
6beta-Hydroxytestosterone	ME567845	0.13	3.55	0.16	0.25
Boldione	ME568115	0.09	3.57	0.13	0.23
strychnine N-oxide	ME569328	0.20	3.28	0.17	1.03
2-[(4-Aminobenzoyl)amino]acetic acid	ME567552	0.08	3.17	0.04	0.71
Perindopril	ME569106	0.03	3.35	0.04	0.70
Phe Tyr Leu Glu	ME569121	0.02	3.42	NA	0.77
Asn Leu Lys Asp	ME568044	0.07	3.41	0.10	0.36
N-Acetylputrescine	ME568956	0.03	3.43	0.03	0.52
Ala Glu Phe His Phe	ME567954	0.10	3.59	0.24	0.59
Arg Met Ala	ME568025	0.10	3.44	0.19	0.48
Phenol, 2-methoxy-5-nitro-	ME569131	0.17	3.41	0.22	0.60
Dexpanthenol	ME568289	0.00	5.72	0.00	0.41
Prilocaine	ME569181	0.02	5.33	0.05	0.16
LIMONIN	ME568748	0.19	4.10	0.11	0.05
Biocytin	ME568111	0.06	4.27	0.04	0.69
Nalpha-Acetyl-L-arginine	ME568922	0.35	4.80	0.19	0.50
N-Palmitoylglycine	ME569036	0.06	4.55	0.05	0.32

Factors:

F1	Allergic infant:Allergic 8 yrs
F2	Allergic infant:Allergic infant
F3	Allergic infant:Tolerant 8 yrs
F4	Allergic infant:Tolerant infant

Data matrix