Metabolomics Workbench : NIH Data Repository

Clustering data with hclust algorithm for (Study ST002016)

(Analysis AN003284)

Metabolite	Structure	F1	F2	F3	F4	F5	F6	F7	F8
Methadone	ME465256	0.13	0.21	0.20	0.19	27.69	0.21	0.33	0.81
Linezolid	ME465231	0.09	0.16	0.14	0.17	30.05	0.13	0.17	0.99
Talampanel	ME465399	0.10	0.18	0.16	0.14	30.75	0.18	0.17	0.80
Cetirizine	ME465074	0.19	0.08	0.06	0.97	17.92	0.07	0.43	0.90
Mirtazapine	ME465270	0.03	0.05	8.38	0.18	17.20	0.26	0.49	0.92
3-METHOXYTYROSINE	ME464948	0.00	0.37	22.68	0.35	0.52	0.25	0.42	1.11
Ferulate	ME465147	0.01	0.37	22.83	0.34	0.51	0.24	0.42	1.11
2-hydroxyphenylacetic acid	ME464908	0.12	0.97	14.03	0.54	0.55	0.35	0.79	1.08
Lidocaine	ME465228	0.00	0.22	10.04	0.98	0.17	0.35	0.86	0.95
N-(6-Aminohexanoyl)-6-aminohexanoate	ME465277	0.04	0.59	7.70	0.84	0.81	1.81	0.38	0.87
Acetochlor ESA	ME465017	0.15	13.09	0.25	0.25	0.19	0.24	0.57	1.05
cis-Tramadol	ME465081	0.02	9.73	0.03	0.07	0.02	0.21	1.19	1.22
p-dimethylinamyl benzoate	ME465345	0.20	9.25	0.26	0.25	0.21	0.30	1.15	0.70
(Carbamoylamino)(4-hydroxyphenyl)acetic acid	ME464850	0.04	5.67	0.07	0.80	0.08	0.12	1.17	0.94
Sulfafurazole	ME465395	0.19	6.29	0.23	1.16	0.43	0.28	0.74	0.58
Ondansetron	ME465333	0.02	0.84	1.07	0.75	10.42	0.70	0.69	1.05
Talampicillin	ME465400	0.04	0.10	0.06	0.08	7.11	4.09	0.35	0.19
Morphine-3-glucuronide	ME465273	0.02	0.03	0.03	0.02	8.21	4.00	0.34	0.32
(R)-Coclaurine	ME464853	0.06	0.12	0.08	0.09	8.02	3.86	0.32	0.43
2-Methylnicotinamide	ME464915	0.06	0.40	1.59	0.78	7.91	1.48	0.62	0.63
Piperidine	ME465362	0.02	0.41	0.44	0.53	8.42	1.66	0.79	0.68
(Z)-Thiamethoxam	ME464855	0.13	0.26	0.15	0.19	8.08	2.29	0.85	0.75
2-Isopropylmaleate	ME464911	0.04	0.74	3.37	1.00	0.93	2.66	0.29	0.34
arg-leu	ME465040	0.12	1.37	3.52	0.70	0.48	3.01	0.29	0.49
5-Acetylamino-6-amino-3-methyluracil	ME464990	0.09	0.65	4.09	1.33	0.23	0.24	0.92	1.14
Baclofen	ME465045	0.05	0.10	3.90	1.55	0.06	0.07	1.13	0.37
Cycloheptene	ME465092	0.24	0.45	3.38	0.46	0.35	1.93	1.15	0.54
Oxycodone	ME465340	0.04	0.12	2.99	0.32	0.20	0.89	1.77	0.92
Dopamine3-O-sulfate	ME465131	0.12	0.37	3.28	1.19	3.31	0.50	0.86	0.92
N-Butyryl-L-homoserinelactone	ME465307	0.07	1.13	1.21	0.71	4.94	1.15	0.89	1.01
Oxepanone	ME465337	0.70	1.26	0.64	0.67	5.42	1.20	0.91	0.85
3-Oxo-N-(2-oxotetrahydro-3-furanyl)decanamide	ME464953	0.05	0.64	0.42	1.00	4.99	0.16	1.23	0.98
4-Hydroxycinnamoylmethane	ME464973	0.38	0.50	0.15	1.82	3.98	0.16	0.56	1.05
4-METHYLCATECHOL	ME464982	0.32	0.55	0.30	1.79	4.07	0.25	0.61	0.75
Hydroxyhexanoycarnitine	ME465183	0.04	0.74	1.99	0.76	2.48	1.73	0.80	0.84
(R)-3-hydroxybutyrylcarnitine	ME464852	0.01	0.89	2.23	0.67	2.26	1.60	0.92	0.85
trimethadione	ME465416	0.04	0.73	1.40	0.84	3.75	2.25	0.52	0.53
HYDROQUINONE	ME465181	0.41	1.65	0.58	0.73	3.24	1.56	0.80	0.90
Imidazol-5-yl-pyruvate	ME465188	0.12	1.02	0.97	0.57	3.09	1.86	0.91	0.83
4-Methyl-2-phenyl-1,3-thiazole	ME464980	0.02	1.82	0.70	0.65	2.63	1.93	0.78	0.71
O-3-methylglutarylcarnitine	ME465327	0.01	1.37	1.16	0.81	2.62	2.07	0.59	0.72
Aripiprazole	ME465041	0.15	0.22	0.22	2.36	2.77	0.26	0.35	0.34
DL-Atenolol	ME465127	0.14	0.29	0.97	1.90	2.18	0.95	0.37	0.56
Etodolac	ME465145	0.13	0.34	0.15	0.21	2.40	1.80	1.52	0.69
Adaprolol	ME465023	0.17	0.45	0.23	0.75	2.91	0.64	1.44	0.93
Butabarbital	ME465060	0.01	0.34	0.53	0.77	3.27	0.79	1.23	1.24
Glycocholic acid	ME465163	0.04	0.56	0.26	0.69	3.51	0.80	1.34	0.99
Carvedilol	ME465071	0.04	0.06	0.06	1.33	2.75	0.12	1.34	0.56
Maltitol	ME465247	0.27	0.23	0.76	1.50	2.84	0.18	1.12	0.37
11-Aminoundecanoic acid	ME464864	0.05	3.18	2.31	1.18	0.45	1.69	0.26	0.76
Sphingosine	ME465392	0.04	3.02	2.34	0.89	0.51	0.98	0.78	1.12
N-palmitoylserinol	ME465322	0.25	3.34	1.73	0.81	0.14	0.66	1.05	1.03
Amides, C12-18, N-(hydroxyethyl)	ME465032	0.02	3.24	2.41	0.71	0.01	0.61	1.07	1.34
N-(2-Hydroxyethyl)heptadecanamide	ME465276	0.04	3.80	2.13	0.81	0.03	0.72	0.87	1.29
Myristamide	ME465275	1.57	3.11	1.17	1.03	0.81	1.13	0.65	0.84
N-Propyldodecanamide	ME465323	1.73	2.69	1.25	1.01	0.79	1.28	0.66	0.77
Brassylic acid	ME465057	0.88	3.03	1.62	0.79	0.41	1.22	0.88	0.78
Lauramide	ME465212	0.75	2.27	1.41	1.10	0.53	1.51	0.60	0.70
3-hydroxydodecanoylcarnitine	ME464945	0.09	3.54	1.40	0.43	1.14	1.28	1.13	0.71
Homogentisic acid	ME465177	0.03	2.73	0.71	0.81	0.62	1.36	0.91	0.82
N-Methylanhalonine	ME465318	0.05	2.74	0.32	0.84	0.71	1.24	0.95	0.85
3-Hydroxyanthranilic acid	ME464942	0.12	4.41	0.31	0.75	2.00	0.59	1.02	0.86
Alprenolol	ME465031	0.10	3.08	0.12	0.13	0.11	0.37	2.03	0.89
Metformin	ME465255	0.01	4.19	0.23	0.61	0.01	0.10	1.40	1.46
Iohexol	ME465200	0.05	0.11	1.32	0.29	0.08	0.79	1.47	2.66
1-Stearoylglycerol	ME464885	0.03	0.40	0.46	1.77	0.19	0.51	0.26	2.68
(2Z)-4-(Octadecyloxy)-4-oxo-2-butenoic acid	ME464845	0.23	0.47	0.38	1.29	0.22	0.51	0.40	3.71
8-Hydroxyhexadecanedioic acid	ME465010	0.24	0.25	0.19	1.51	0.15	0.23	0.35	3.80
(24R_24^R)-Fucosterolepoxide	ME464842	0.15	0.15	0.11	2.34	0.14	0.11	0.25	1.76
Carbamazepine 10,11-epoxide	ME465068	0.13	0.24	0.22	2.46	0.20	0.20	0.24	1.21
4-Acetamidoantipyrine	ME464959	0.02	0.04	0.03	2.69	0.02	0.03	0.03	1.65
4-Formylaminoantipyrine	ME464968	0.03	0.24	0.05	2.71	0.04	0.05	0.08	1.30
Dihydroxycarbamazepine	ME465121	0.03	0.06	0.05	2.72	0.05	0.05	0.06	1.41
quinidinone	ME465378	0.24	0.14	0.14	2.58	0.14	0.14	0.13	1.36
Trimethylsilyl N,O-bis(trimethylsilyl)serinate	ME465419	0.17	0.10	0.10	2.59	0.12	0.10	0.10	1.55
Carbamazepine	ME465067	0.04	0.01	0.01	3.15	0.01	0.01	0.01	0.35
Escitalopram	ME465140	0.06	0.11	0.10	2.84	0.09	0.09	0.11	0.75
1-palmitoylglycerol;MAG(16:0)	ME464881	0.11	0.67	0.73	1.82	0.40	0.76	0.37	1.47
2-trans-Hexadecenal	ME464924	0.58	0.68	0.73	1.82	0.32	0.81	0.39	1.27
Phenazone	ME465351	0.21	0.38	0.32	2.17	0.24	0.30	0.35	1.46
Piperine	ME465363	0.48	0.31	0.27	1.99	0.28	0.38	0.54	1.25
Fluorene	ME465149	0.29	0.38	0.70	1.89	0.20	0.35	0.64	1.17
γ-Linolenic acid ethyl ester	ME465439	0.14	0.51	0.54	2.14	0.28	0.61	0.30	1.08
Anthranilate	ME465037	0.22	0.51	0.29	1.70	0.39	0.34	1.02	0.49
Isoamyl cyanide	ME465201	0.18	0.61	0.35	2.05	0.27	0.32	0.72	0.39
2-Ethyl-4,5-dimethylthiazole	ME464905	0.00	0.30	0.01	2.43	0.01	0.02	0.64	0.29
Hordenine	ME465179	0.04	0.08	0.05	2.29	0.60	0.16	0.50	0.89
10-Hydroxycarbazepine	ME464863	0.21	0.35	0.33	2.33	0.47	0.37	0.35	0.80
Tazobactam	ME465402	0.08	0.22	0.23	2.31	0.21	0.45	0.41	0.66
Doxylamine	ME465132	0.06	3.47	0.08	2.12	0.07	0.17	0.37	0.46
Omeprazole sulphone	ME465332	0.09	2.70	0.13	1.77	0.14	0.12	0.69	0.85
Dextromethorphan	ME465107	0.05	1.80	0.07	1.94	0.07	1.37	0.10	0.73
N2-Acetyl-L-aminoadipate	ME465286	0.06	1.04	0.05	2.66	0.06	0.06	0.35	0.10
Ala-Pro	ME465026	0.02	2.03	0.03	2.22	0.03	0.03	0.61	0.21
Noradrenaline	ME465320	0.03	1.56	0.05	2.41	0.06	0.05	0.49	0.20
Levetiracetam	ME465218	0.00	0.76	0.01	0.77	0.00	0.01	1.55	2.25
5-Amino-4-imidazolecarboxylate	ME464991	0.01	0.02	0.02	0.87	0.02	0.02	1.66	1.87
Metronidazole	ME465267	0.00	0.00	0.00	0.84	0.00	0.00	1.63	2.13
Promethazine sulfoxide	ME465369	0.06	0.13	1.35	0.10	0.09	0.46	2.38	0.68
Didecyldimethylammonium	ME465114	0.03	0.09	0.15	0.93	0.05	0.09	2.07	0.09
Metronidazole-OH	ME465268	0.00	0.18	0.00	0.49	0.11	0.05	2.08	1.48
Dopamine	ME465130	0.00	0.51	0.00	0.84	0.00	0.01	1.73	1.52
Gabapentin	ME465153	0.00	0.73	0.01	0.43	0.00	0.26	1.95	1.55
Methylimidazoleacetic acid	ME465265	0.02	0.09	0.18	0.88	0.49	0.36	1.58	1.32
Moxisylyte	ME465274	0.16	0.39	0.19	0.36	0.22	0.23	2.25	0.81
Coniferylaldehyde	ME465086	0.15	0.34	0.30	0.46	0.22	0.27	2.06	1.10
Uramil	ME465425	0.14	0.37	0.27	0.53	0.36	0.30	1.99	1.00
7-Methylxanthosine	ME465005	0.06	0.10	0.08	0.72	0.07	0.52	1.80	0.95
Eperisone	ME465138	0.12	0.18	0.16	0.72	0.17	0.15	2.04	0.68
Venlafaxine	ME465431	0.01	0.02	0.02	0.84	0.02	0.02	1.94	1.03
Diphenhydramine	ME465126	0.05	0.11	0.08	0.59	0.06	0.17	2.06	1.06
INDOLEACETALDEHYDE	ME465195	0.01	0.29	0.27	0.68	0.06	0.16	1.96	1.02
2,3-DIMETHYL-5-NITROINDOLE	ME464893	0.11	0.21	0.13	0.16	0.16	0.80	2.17	0.93
2-(tert-butylamino)-1-(3-chlorophenyl)propan-1-ol	ME464889	0.06	0.10	0.10	0.10	0.08	0.10	2.61	0.83
3-(4-Hydroxy-1,3-benzothiazol-6-yl)alanine	ME464926	0.08	0.15	0.12	0.16	0.12	0.17	2.54	0.76
Anhydroecgonine	ME465033	0.02	0.02	0.03	0.03	0.02	0.02	2.73	0.83
Aceclidine	ME465015	0.02	0.07	0.03	0.07	0.03	0.04	2.60	1.11
Ropivacaine	ME465381	0.03	0.05	0.04	0.04	0.03	0.04	2.66	1.02
SEROTONIN	ME465385	0.02	0.05	0.04	0.05	0.05	0.05	2.66	0.97
3-Hydroxycotinine	ME464944	0.03	0.08	0.07	0.07	0.08	0.08	2.60	0.99
Hydroxy bupropion	ME465182	0.03	0.10	0.08	0.08	0.05	0.13	2.56	1.05
Clindamycin	ME465082	0.00	0.00	0.00	0.00	0.00	0.00	2.59	1.47
N-Desmethylvenlafaxine	ME465309	0.07	0.12	0.11	0.22	0.09	0.10	2.37	1.27
Isoniazid pyruvate	ME465203	0.10	0.85	0.15	0.16	0.14	0.36	2.36	0.68
Dubinidine	ME465133	0.16	0.32	0.26	0.25	0.18	0.29	2.44	0.47
3,6-Diacetyl-9-isoamylcarbazole	ME464931	0.17	0.21	0.19	0.19	0.19	0.18	2.52	0.59
5_10-Methenyltetrahydrofolate	ME464989	0.16	0.24	0.22	0.19	0.15	0.19	2.51	0.61
4-Methylene-2-oxoglutarate	ME464983	0.06	0.33	0.45	0.33	0.37	0.33	2.28	0.58
N-ACETYL ZONISAMIDE	ME465296	0.20	0.35	0.46	0.30	0.24	0.34	2.34	0.46
Lamotrigine	ME465208	0.01	0.01	0.01	1.14	0.01	3.68	0.01	0.62
4-Hydroxyphenylacetaldehyde	ME464975	0.21	0.22	0.57	1.03	0.15	3.03	0.37	0.51
Metamiton	ME465253	0.04	0.05	0.05	1.17	0.05	3.14	0.30	0.42
N-Acetyl-L-glutamicacid	ME465301	0.09	0.13	0.19	0.87	0.16	2.79	0.64	0.64
7,8-dihydro-8-oxoguanine	ME465002	0.08	0.16	0.25	0.94	0.29	2.69	0.57	0.75
Oxohongdenafil	ME465339	0.01	0.07	0.22	0.94	0.31	2.82	0.53	0.76
S-(5-histidyl)cysteine sulfoxide	ME465382	0.05	0.12	0.33	1.02	0.42	2.48	0.58	0.79
5-Fluoro-3,5-AB-PFUPPYCA	ME464994	0.01	0.07	0.29	1.03	0.31	2.44	0.54	1.05
Flurandrenolide	ME465150	0.01	0.06	0.23	0.99	0.31	2.58	0.55	0.91
(4E)-1,7-Bis(4-hydroxyphenyl)-4-hepten-3-one	ME464846	0.00	0.05	0.32	0.61	0.23	3.28	0.57	0.90
7-Oxobenz[de]anthracene	ME465006	0.02	0.12	0.48	0.56	0.42	2.93	0.74	0.92
Dambonitol	ME465100	0.02	0.13	0.47	0.59	0.44	2.84	0.77	0.90
Ethyl3-oxohexanoate	ME465144	0.34	0.32	0.28	0.39	0.29	2.79	1.10	0.40
tyramine sulfate	ME465423	0.10	0.73	0.26	0.34	0.23	3.44	0.76	0.51
dADP	ME465098	0.06	0.12	0.08	1.49	0.30	1.33	0.89	0.22
hydralazine	ME465180	0.06	0.12	0.11	2.06	0.10	1.10	0.45	0.35
fenamidone	ME465146	0.15	0.25	0.32	0.41	0.22	1.79	1.51	0.69
Trimethoprim	ME465417	0.00	0.00	0.00	1.06	0.00	2.20	0.67	1.09
N4-Acetylsulfamethoxazole	ME465291	0.00	0.01	0.01	0.81	0.01	2.01	1.01	1.03
Sulfamethoxazole	ME465396	0.00	0.00	0.00	0.78	0.00	2.16	0.88	1.30
PEG n8	ME465349	0.01	0.06	0.29	1.21	0.29	2.18	0.52	0.98
Diisopropylphosphate	ME465123	0.03	0.10	0.29	1.42	0.35	1.58	0.56	1.11
PEG n7	ME465348	0.01	0.11	0.34	1.25	0.37	1.85	0.57	1.18
4-HQN	ME464970	0.15	0.29	0.24	1.02	0.21	1.76	0.98	0.60
Phenylglyoxylic acid	ME465354	0.08	0.18	0.34	1.15	0.11	1.70	0.90	0.64
1-Methylpyrrolinium	ME464876	0.01	0.58	0.23	1.30	0.70	1.85	0.58	0.70
12-Hydroxydihydrochelirubine	ME464867	0.16	0.29	0.26	1.53	0.37	1.57	0.54	0.75
4-Pyridoxic acid	ME464985	0.03	0.71	0.29	1.32	0.27	1.44	0.71	0.92
2-Butoxy-2-oxoethyl butyl phthalate	ME464902	0.27	0.17	0.28	0.10	1.80	4.34	0.56	0.29
Zearalenone	ME465437	0.17	0.19	0.32	0.10	1.90	4.39	0.53	0.28
Indole-3-acetamide	ME465191	0.05	0.06	0.06	0.05	1.11	2.90	1.35	0.47
Carnidazole	ME465070	0.00	0.42	0.70	0.29	1.60	3.36	0.79	0.38
OPHTHALMATE	ME465334	0.02	0.20	0.21	0.40	1.41	2.94	0.92	0.59
Nicotianamine	ME465312	0.04	0.41	0.46	0.61	1.32	2.79	0.74	0.65
n-Ribosylhistidine	ME465324	0.03	0.49	0.61	0.58	1.70	2.64	0.79	0.63
3-NITRO-L-TYROSINE	ME464951	0.09	3.04	0.35	1.78	2.13	0.65	0.24	0.77
N-Acetylleucylleucine	ME465299	0.00	1.95	0.36	1.57	2.54	0.25	0.65	1.09
Atenolol acid	ME465044	0.00	1.29	0.77	1.28	1.54	0.05	1.02	1.54
DL-Stachydrine	ME465128	0.00	1.63	0.35	1.40	1.57	0.50	0.73	1.35
Octadecanoic acid	ME465328	1.26	0.48	0.36	1.82	0.46	0.44	0.37	2.01
Erucamide	ME465139	1.30	0.47	0.56	1.49	1.45	0.56	0.76	1.21
1-Hexadecanoylpyrrolidine	ME464872	1.55	0.42	0.36	1.82	0.78	0.44	0.63	1.01
Pyrrolidine, 1-oleoyl-	ME465376	1.65	0.66	0.64	1.58	0.74	0.83	0.62	0.97
2-Methylpropanamine	ME464916	1.22	0.97	1.16	1.18	0.69	0.85	0.99	0.74
3,5-ditert-butyl-4-hydroxybenzaldehyde	ME464929	1.47	1.08	0.86	1.10	0.76	1.01	0.92	0.95
Triphenylphosphine oxide	ME465420	1.21	0.93	0.86	1.09	0.99	0.92	0.99	0.92
4-Coumarylalcohol(4-Hydroxycoumarin)	ME464966	2.26	1.01	0.87	1.21	0.83	1.01	0.76	1.04
Cafestol	ME465063	1.66	0.91	1.04	1.25	0.69	1.11	0.71	1.04
Maraniol	ME465249	1.74	0.99	0.86	1.23	0.84	1.02	0.75	1.10
Diisobutylphthalate	ME465122	1.91	1.05	1.03	1.11	0.81	1.04	0.83	1.07
Phthalic anhydride	ME465357	1.88	0.95	1.02	1.16	0.87	1.02	0.82	1.00
Ethyl palmitoleate	ME465143	2.05	1.05	0.93	1.07	1.13	0.95	0.92	0.96
Methyl 6-isopropyl-2-oxooctahydro-2H-cyclohepta[b]furan-3-carboxylate	ME465260	1.88	0.87	0.87	1.04	0.94	1.18	0.94	0.80
Benzyl butyl phthalate	ME465048	2.71	0.87	0.74	1.31	0.82	0.76	0.70	1.43
DICHLORODIFLUOROMETHANE	ME465111	2.37	0.82	0.74	1.16	0.93	0.60	1.08	0.86
Spiroxamine	ME465393	0.22	0.82	2.52	0.85	0.62	2.36	0.56	0.63
alanyl-poly(glycerolphosphate)	ME465025	0.05	1.36	1.87	1.08	0.43	2.50	0.35	0.39
L-Rhamnose	ME465242	0.04	1.33	1.76	1.04	0.62	2.21	0.49	0.49
8^-Hydroxyabscisate	ME465009	0.20	1.60	2.52	1.17	0.33	2.33	0.29	0.28
Cuminaldehyde	ME465090	0.01	1.72	2.19	1.06	0.31	2.35	0.38	0.38
Indane	ME465189	0.07	1.75	2.25	1.02	0.31	2.20	0.46	0.44
intercept	ME465199	0.15	1.56	2.33	1.25	0.40	1.98	0.38	0.37
BIM-1	ME465053	0.16	1.77	2.11	1.23	0.32	2.16	0.31	0.36
Cinnamaldehyde	ME465078	0.29	1.57	2.19	1.20	0.42	2.18	0.35	0.32
Oleamide	ME465329	0.99	1.06	1.09	1.65	0.87	1.41	0.33	0.53
OLEOYL-GLYCEROL	ME465330	1.18	1.08	1.43	1.39	0.62	1.32	0.53	0.77
Indole-5_6-quinone	ME465194	0.11	1.18	0.78	1.07	0.46	1.78	0.65	0.96
Olomoucine	ME465331	0.33	1.45	1.24	1.29	0.53	1.42	0.60	0.69
2-Arachidonoyl glycerol	ME464901	0.21	1.31	1.34	1.63	0.49	1.27	0.33	0.86
Monoolein	ME465271	0.22	1.29	1.35	1.65	0.49	1.25	0.33	0.83
Pimilprost	ME465359	0.24	1.41	1.67	1.19	0.63	1.75	0.53	0.61
chavicol	ME465075	0.12	1.57	1.39	1.18	0.40	2.04	0.46	0.47
Precocene II	ME465367	0.15	1.41	1.27	1.41	0.35	1.93	0.33	0.50
2-Oxovaleric acid	ME464920	0.03	0.54	0.58	0.54	1.64	0.62	1.67	1.07
6-Hydroxypseudooxynicotine	ME465000	0.15	0.33	0.34	0.65	1.84	0.46	1.83	0.51
2_2^-Iminodipropanoate	ME464894	0.04	1.25	0.81	1.05	1.78	0.27	1.43	0.41
Metazachlor OXA	ME465254	0.13	1.34	0.25	0.62	2.01	0.68	1.55	0.74
1-Methylxanthine	ME464878	0.02	1.33	1.84	1.55	0.13	0.09	0.93	1.01
Hexylamine	ME465173	0.00	0.69	1.86	1.32	0.63	1.06	0.69	1.08
15-Crown-5	ME464868	0.00	0.44	1.99	1.49	0.68	1.01	0.59	1.06
Limonene-1_2-diol	ME465229	0.24	0.50	1.93	1.50	0.63	0.96	0.62	0.97
2S-Amino-tridecanoic acid	ME464923	0.04	0.39	2.34	1.43	0.52	0.97	0.65	1.05
3-(3,4,5-trimethoxyphenyl)propanoic acid	ME464925	0.10	0.25	2.20	1.38	0.63	0.90	0.82	0.82
Coniferylalcohol	ME465085	0.16	0.26	2.17	1.35	0.73	0.89	0.83	0.88
Clopidol	ME465084	0.21	0.37	1.34	1.59	0.24	0.38	1.01	0.62
2-(4-Hydroxyphenyl)ethanol(Tyrosol)	ME464888	0.10	0.43	1.25	1.63	0.14	0.83	0.72	0.75
ARECOLINE	ME465039	0.13	0.54	1.31	1.57	0.16	0.84	0.76	0.76
2-Mercaptoethanol	ME464913	0.01	0.61	1.64	1.44	0.72	0.69	0.73	1.26
Sulforaphane	ME465398	0.05	0.57	1.30	1.39	0.75	0.87	0.76	1.10
meso-Tartaric acid	ME465251	0.06	0.86	1.28	1.13	0.40	0.75	1.07	1.03
hypaphorine	ME465184	0.01	0.41	1.55	0.87	0.31	0.94	1.26	1.08
Zalcitabine	ME465436	0.01	0.59	1.55	1.14	0.49	1.09	0.96	0.83
Sulfonylbismethane	ME465397	0.00	0.77	2.37	0.76	0.69	0.47	1.40	1.20
DL-α-Aminocaprylic acid	ME465129	0.02	0.46	1.39	0.82	0.62	0.41	1.51	1.17
Retinol	ME465380	0.10	0.29	1.25	0.72	0.33	0.43	1.51	1.62
(-)-Medicarpin	ME464837	0.02	1.98	1.38	0.76	1.21	1.76	0.79	0.72
1,3-Dicyclohexylurea	ME464859	0.54	1.47	1.10	0.67	1.63	0.77	1.29	1.06
4,4^-Thiobis(butan-2-one)	ME464957	0.02	2.08	1.16	0.61	1.56	1.09	1.14	1.02
4-Sulfanyldihydro-3(2H)-furanone	ME464987	0.10	1.89	1.36	0.66	1.67	1.02	1.14	1.01
homomethionine	ME465178	0.01	2.00	1.38	0.65	1.61	0.95	1.16	1.03
THTA	ME465407	0.01	1.88	1.41	0.66	1.61	0.96	1.15	1.08
2_6-Dihydroxypseudooxynicotine	ME464898	0.03	0.31	0.61	0.39	1.19	1.98	1.32	0.72
L-Homocitrulline	ME465224	0.03	0.58	1.33	0.88	1.37	1.93	0.75	0.82
4-Amino-3-hydroxybenzoic acid	ME464961	0.01	0.72	1.29	0.81	1.43	1.88	0.83	0.83
N1-Methyl-2-pyridone-5-carboxamide	ME465284	0.00	0.71	1.16	0.81	1.47	1.84	0.84	0.87
Methyl N-(tert-butoxycarbonyl)-L-leucinate	ME465263	0.00	0.74	0.85	0.89	1.50	1.97	0.75	0.76
Atagabalin	ME465043	0.11	0.63	1.12	0.94	1.69	1.94	0.69	0.78
Prolylleucine	ME465368	0.00	0.88	1.06	0.83	1.71	1.94	0.76	0.79
pronetalol	ME465370	0.01	0.73	1.03	0.85	1.65	2.17	0.68	0.73
L-Hypoglycin	ME465227	0.01	0.77	0.76	0.67	1.42	1.89	0.97	0.87
α-Aspartylphenylalanine	ME465438	0.06	0.74	0.96	0.71	1.41	1.87	0.96	0.78
9-Decenoylcarnitine	ME465014	0.01	0.58	1.04	0.65	1.16	2.04	1.00	0.68
N6,N6,N6-Trimethyl-L-lysine	ME465293	0.01	0.70	0.95	0.76	1.13	1.87	0.92	0.87
Dihydrouridine	ME465120	0.02	0.54	0.94	1.03	1.33	1.65	0.85	0.62
3-Amino-2-methylpropanoate	ME464934	0.00	0.81	0.96	0.92	1.29	1.73	0.79	0.93
N6-Acetyl-L-lysine	ME465294	0.01	0.79	0.94	0.97	1.18	1.50	0.89	0.85
Cytidine	ME465095	0.04	0.83	1.27	1.01	0.82	2.01	0.69	0.53
N-Nitrosoguvacoline	ME465319	0.02	0.31	1.37	0.73	0.94	1.72	1.07	0.80
3-Hydroxy-3-[(3-methylbutanoyl)oxy]-4-(trimethylammonio)butanoate	ME464941	0.01	0.62	1.18	0.81	0.94	2.14	0.74	0.88
2-linoleoyl-sn-glycero-3-phosphoethanolamine	ME464912	0.03	0.43	1.11	0.92	0.79	1.78	0.87	0.83
2-PCB	ME464921	0.01	0.51	1.33	0.84	0.75	1.91	0.84	0.88
8-Amino-7-oxononanoate	ME465007	0.01	0.43	1.35	0.63	0.95	2.48	0.85	0.56
Biotin	ME465055	0.05	0.49	0.97	0.84	0.65	2.41	0.66	0.80
Butyryl-L-carnitine	ME465062	0.00	0.72	0.89	0.88	0.85	2.56	0.58	0.55
2-Oxindole	ME464919	0.24	0.58	0.68	0.68	0.47	2.34	0.84	0.86
Deoxyguanidinoproclavaminic acid	ME465105	0.04	0.59	0.42	0.88	0.60	1.95	0.84	0.91
N-ACETYLASPARAGINE	ME465297	0.03	0.35	0.50	0.96	1.44	2.07	0.74	0.71
asp-leu	ME465042	0.07	0.36	0.53	0.71	0.93	2.32	0.87	0.73
gamma-Glutamyl-gamma-aminobutyraye	ME465156	0.06	0.57	0.69	0.73	1.22	2.09	0.89	0.78
L-Threonine	ME465243	0.01	0.70	0.54	0.82	0.92	2.01	0.88	0.73
N-D-Glucosylarylamine	ME465310	0.05	0.58	0.75	0.78	0.93	2.22	0.83	0.67
Morphine	ME465272	0.10	0.42	1.27	0.70	1.76	1.23	1.29	0.68
Tetraacetylethylenediamine	ME465403	0.00	0.30	0.93	0.53	1.83	1.77	1.20	0.78
Lotaustralin	ME465238	0.01	0.81	0.93	0.94	2.58	1.51	0.76	0.99
N-alpha-Acetylarginine	ME465305	0.00	0.80	0.92	0.96	2.56	1.46	0.78	0.97
Ecgonine methyl ester	ME465135	0.04	0.64	1.18	0.85	1.83	1.64	0.87	0.86
Hexanoylcarnitine	ME465170	0.00	0.81	1.37	0.78	1.77	1.48	0.99	0.88
Cytosine	ME465096	0.03	1.09	1.06	0.99	1.92	1.43	0.80	0.84
8-hydroxy-7-methylguanine	ME465008	0.03	1.01	1.20	0.93	2.29	1.40	0.84	0.86
N4-Acetylcytidine	ME465290	0.02	0.81	1.18	0.78	2.10	1.56	0.93	0.90
(2S)-2-Amino-8-hydroxyoctanoic acid	ME464844	0.03	0.45	1.23	0.75	2.19	1.95	0.88	0.65
Methyl N-acetylglycylglycylglycinate	ME465264	0.01	0.54	0.89	1.05	2.08	1.81	0.66	0.75
3,4-DIHYDROXYPHENYLGLYCOL	ME464928	0.08	1.34	0.66	0.66	2.09	1.61	1.04	0.69
4-Hydroxymandelicacid	ME464974	0.04	1.04	0.73	0.81	2.24	1.64	0.85	0.91
4-Coumarylalcohol	ME464965	0.12	1.00	0.54	0.81	1.95	1.18	1.14	0.82
L-Indospicine	ME465230	0.03	1.38	0.33	0.68	1.74	1.34	1.11	1.01
Glu-Gly	ME465158	0.03	0.94	0.75	0.95	2.03	0.44	1.26	1.16
1-Pyrroline-2-carboxylate	ME464884	0.01	0.59	0.89	0.95	2.20	0.56	1.20	1.22
2_3_4_5-Tetrahydropyridine-2-carboxylate	ME464895	0.00	0.62	0.92	0.95	2.16	0.58	1.18	1.24
gamma-Glu-gln	ME465154	0.01	0.75	0.44	1.10	1.71	0.72	1.05	1.18
N-Acetyl-L-glutamate5-semialdehyde	ME465300	0.00	0.51	0.77	0.99	1.72	0.64	1.17	1.28
Glycochenodeoxycholic acid	ME465162	0.03	1.06	0.41	1.14	2.15	0.77	0.93	1.14
Cholic acid	ME465076	0.06	1.04	0.52	1.22	1.76	0.94	0.82	1.05
guaietolin	ME465166	0.04	1.38	0.52	1.28	1.82	0.86	0.84	0.77
5-Aminolevulinate	ME464992	0.02	0.41	0.65	0.76	1.51	1.24	1.24	0.92
Dihydroclavaminic acid	ME465117	0.12	0.71	0.49	0.99	1.65	1.09	1.07	0.87
Mannitol	ME465248	0.08	0.61	0.67	0.82	1.76	1.16	1.22	0.74
GLUTARYLCARNITINE	ME465160	0.04	0.48	1.00	0.94	1.60	1.32	0.99	0.91
Piperideine	ME465361	0.00	0.66	0.73	0.81	1.74	1.60	0.96	0.93
Shikimate	ME465386	0.02	0.84	0.87	0.80	1.63	1.49	0.99	0.94
N2-Acetyl-L-lysine	ME465287	0.01	1.08	0.96	0.87	2.38	0.92	1.09	0.97
Xanthine	ME465434	0.00	0.84	1.01	1.24	1.93	1.32	0.62	0.98
3-Dehydroxycarnitine	ME464939	0.01	0.86	1.08	1.02	1.51	0.96	0.98	1.11
Benzyl methacrylate	ME465049	0.04	0.82	0.85	0.99	1.64	0.94	1.04	1.05
Buphedrine	ME465059	0.02	0.80	0.94	1.15	2.04	0.88	0.91	0.99
Dethiobiotin	ME465106	0.03	0.73	0.96	0.98	2.19	0.92	1.06	0.92
3-Hydroxy-2-methyl-4-pyrone	ME464940	0.02	1.10	0.94	1.02	2.00	1.00	0.96	0.91
4-Imidazolone-5-propanoate	ME464977	0.04	1.01	1.00	0.87	1.87	1.18	1.02	0.94
L-gamma-Glutamyl-L-leucine	ME465220	0.00	0.89	0.88	1.03	1.86	1.13	0.90	1.00
(E)-3,4,5-Trimethoxycinnamic acid	ME464851	0.03	0.49	1.70	1.52	1.39	0.70	0.73	0.85
4-Aminophenol	ME464963	0.01	1.16	1.50	1.46	1.46	0.73	0.63	1.05
Paracetamol	ME465344	0.00	1.12	1.54	1.48	1.49	0.70	0.62	1.08
Cerulenin	ME465073	0.05	0.75	0.27	1.85	1.12	0.36	0.62	1.08
Isococculidine	ME465202	0.12	0.58	0.19	1.76	0.83	0.39	0.81	0.83
1-heptadecanoyl-sn-glycero-3-phosphocholine	ME464871	0.06	0.60	0.75	1.37	0.56	1.00	0.78	1.09
1-Linoleoylglycerophosphocholine	ME464873	0.00	0.44	0.90	1.24	0.54	1.07	0.88	1.07
1-arachidonoyl-sn-glycero-3-phosphocholine	ME464870	0.01	0.79	0.86	1.59	0.51	1.02	0.61	0.84
N,N^-Diphenylguanidine	ME465281	0.00	0.69	0.55	1.47	0.54	1.17	0.71	0.74
Spermine	ME465390	0.01	0.59	0.43	1.58	0.43	1.10	0.68	0.70
1-(1Z-hexadecenyl)-sn-glycero-3-phosphocholine	ME464856	0.08	0.88	0.80	1.36	0.44	0.67	0.94	0.97
(-)-trans-Carveol	ME464838	0.14	0.84	0.86	1.49	0.41	0.34	1.01	0.87
4-Methylaminoantipyrine	ME464981	0.00	0.52	0.81	1.39	0.88	0.56	1.00	0.91
Guvacoline	ME465168	0.09	1.05	0.70	1.53	0.84	0.56	0.85	0.78
Imafen	ME465186	0.07	0.90	0.54	1.50	0.93	0.64	0.80	1.02
Diethyl dibutylmalonate	ME465115	0.78	1.09	1.63	1.13	1.31	0.98	0.81	1.01
(1Z,5Z)-1,5-Cyclooctadiene	ME464841	0.75	1.11	1.18	1.03	1.23	1.07	0.91	0.98
2,2-Dichloro-1,1-ethanediol	ME464890	0.43	1.22	1.03	1.07	1.41	0.91	0.95	0.96
cyclandelate	ME465091	0.84	1.37	1.12	1.15	0.73	1.31	0.73	0.81
Elaeokanine C	ME465137	0.57	1.41	1.25	0.75	0.94	1.52	1.01	0.71
Salsolinol	ME465384	0.00	1.68	0.93	1.03	1.53	0.97	0.89	1.04
Furfural	ME465152	0.01	1.32	0.80	0.96	1.85	0.89	1.04	0.98
Methyl alpha-aspartylphenylalaninate	ME465261	0.01	1.50	0.88	1.05	1.84	1.00	0.88	0.97
N-Acetylserotonin	ME465304	0.02	1.15	0.84	1.02	1.47	0.69	1.08	1.14
N-Methyl-2-pyrrolidone	ME465317	0.00	1.18	0.75	1.00	1.16	0.76	1.09	1.15
Dicyclohexylamine	ME465113	0.02	1.25	0.70	1.02	1.34	0.68	1.10	1.12
L-Homocysteic acid	ME465225	0.01	1.20	0.73	1.01	1.30	0.73	1.11	1.06
Palmitoleic Acid	ME465341	0.04	1.63	0.65	0.89	1.16	0.92	1.07	1.13
5-Valerolactone	ME464999	0.20	1.44	0.60	0.97	1.30	0.71	1.18	0.85
Bis(2-ethylhexyl) amine	ME465056	0.17	1.52	0.74	0.95	1.21	0.76	1.17	0.86
L-Cystine	ME465216	0.02	1.22	0.73	0.80	1.13	1.13	1.24	0.67
8-Oxocoformycin	ME465012	0.03	1.57	1.08	0.82	1.27	1.20	1.02	0.95
Kanosamine	ME465204	0.05	1.40	1.01	0.79	1.29	1.33	1.04	0.84
N2-Dimethylguanosine	ME465288	0.01	1.44	0.96	0.82	1.32	1.31	1.02	0.85
Benzaldehyde	ME465046	0.13	1.34	0.89	1.04	1.29	1.12	0.89	0.97
Indoline	ME465196	0.00	1.37	0.91	1.05	1.27	1.09	0.89	1.00
Benzene	ME465047	0.00	1.35	0.89	1.04	1.25	1.15	0.88	0.98
Trans-Cinnamicacid	ME465412	0.00	1.35	0.90	1.04	1.28	1.14	0.88	0.99
Nithiazide	ME465315	0.03	1.22	1.01	0.89	1.48	1.14	0.99	1.02
4-Hydroxy-2-butynal	ME464971	0.03	1.27	0.99	0.98	1.42	0.91	1.03	1.00
L-Tyrosine methyl ester	ME465246	0.01	1.15	0.91	1.00	1.38	1.00	0.99	1.02
L-Isoleucine	ME465233	0.00	0.88	0.84	0.82	1.02	0.41	1.53	0.93
Melatonin	ME465250	0.01	0.62	1.03	0.96	1.08	0.49	1.31	1.17
N2-(D-1-Carboxyethyl)-L-lysine	ME465285	0.00	0.64	1.01	0.97	1.10	0.69	1.23	1.11
2_4-Dinitrophenylhydrazine	ME464897	0.12	0.92	0.37	0.99	0.48	0.46	1.36	1.17
3-Oxalomalate	ME464952	0.00	0.71	0.72	1.07	0.93	0.73	1.14	1.11
Dinitrosopentamethylenetetramine	ME465124	0.05	0.78	0.50	1.14	0.85	0.62	1.11	1.20
allylcysteine	ME465029	0.04	0.87	0.61	0.94	0.73	0.62	1.33	1.07
TrimethylamineN-oxide	ME465418	0.00	0.81	0.61	0.95	0.90	0.57	1.27	1.30
12-Aminododecanoic acid	ME464866	0.48	0.73	0.79	0.94	0.69	1.26	1.09	0.78
4-Hydroxybenzaldehyde	ME464972	0.39	0.72	0.54	1.18	0.69	1.24	0.84	0.99
N-Undecanoylglycine	ME465325	0.38	1.00	0.91	0.90	1.03	1.37	0.97	0.89
Phenylacetaldehyde	ME465353	0.51	0.93	0.85	0.95	1.07	0.98	1.07	1.06
Butoxytriglycol	ME465061	0.75	0.86	1.03	1.15	0.74	1.02	0.91	0.96
11-Nitro-1-undecene	ME464865	0.59	0.92	0.93	1.02	0.89	1.24	0.92	0.95
3-Oxotetradecanoic acid	ME464954	0.81	0.86	0.84	1.01	0.94	1.24	0.93	0.96
(4S)-4-[(2E)-2-Octenoyloxy]-4-(trimethylammonio)butanoate	ME464848	0.00	0.67	1.27	1.04	1.31	1.12	0.99	0.87
Gly-Pro(Glycylproline)	ME465165	0.01	0.75	1.24	1.07	1.37	1.10	0.89	1.05
allyl bromide	ME465028	0.01	1.12	1.10	0.94	1.27	1.27	0.89	1.09
Ethyl ?-bromopropionate	ME465142	0.02	1.13	1.13	0.96	1.29	1.25	0.88	1.09
L-Glutamic acid	ME465221	0.00	0.84	0.78	1.08	1.32	1.13	0.92	1.00
DIHYDROURACIL	ME465119	0.01	0.88	0.96	0.98	1.26	1.23	0.98	0.89
Pyrrolidine	ME465375	0.00	0.89	0.94	0.98	1.27	1.26	0.93	0.97
Valine	ME465429	0.01	0.90	0.96	0.98	1.31	1.30	0.93	0.94
Indole-3-lactic acid	ME465193	0.04	0.86	0.95	0.76	1.41	1.32	1.15	0.82
Acetyl-L-carnitine	ME465020	0.00	0.88	1.39	0.93	1.26	1.32	0.93	0.97
5-Methylthio-D-ribose	ME464998	0.03	0.99	1.15	0.92	1.24	1.22	1.04	0.79
Quinic acid	ME465377	0.02	0.98	1.24	0.83	1.16	1.32	1.04	0.91
S-ADENOSYLHOMOCYSTEINE	ME465383	0.03	0.94	1.29	0.84	1.14	1.35	1.03	0.89
Acetylcholine	ME465019	0.00	0.80	1.25	0.86	1.26	1.26	1.06	0.91
N3,N4-Dimethyl-L-arginine	ME465289	0.00	0.88	1.17	0.94	1.27	1.28	0.96	0.94
4-Imino-1-(beta-D-ribofuranosyl)-1,4-dihydro-3-pyridinecarboxylic acid	ME464978	0.03	0.98	1.11	0.73	1.15	1.16	1.23	0.87
Taurohyocholate	ME465401	0.07	0.79	1.25	0.68	1.08	1.33	1.20	0.92
Triisopropanolamine	ME465414	0.00	1.00	0.83	1.19	0.67	1.19	0.92	0.61
1-Palmitoyl-2-hydroxy-sn-glycero-3-PE	ME464880	0.06	0.91	0.76	1.23	0.93	1.23	0.78	0.90
metharbital	ME465257	0.04	1.02	0.72	1.16	1.03	1.33	0.82	0.72
n-Hexanamide	ME465311	0.06	0.42	1.02	0.85	0.86	1.11	1.27	0.80
Pyridoxamine	ME465373	0.02	0.37	0.97	0.87	0.96	1.29	1.14	0.91
NDA	ME465308	0.03	0.79	1.13	0.90	0.70	1.64	0.94	0.75
Methohexital	ME465258	0.02	0.65	0.84	1.08	0.77	1.37	0.89	0.91
Succinic anhydride	ME465394	0.03	0.76	0.69	1.05	0.78	1.57	0.85	0.82
L-Arginine	ME465209	0.02	0.60	1.00	0.98	0.57	1.20	1.05	0.98
Choline	ME465077	0.00	0.94	0.90	0.98	0.97	1.29	0.95	0.93
Orthophosphate	ME465336	0.00	0.83	0.97	1.03	1.05	1.31	0.88	1.02
dihomomethionine	ME465116	0.02	0.90	1.01	0.85	0.92	1.25	1.10	0.91
Tris(hydroxymethyl)aminomethane	ME465421	0.01	0.83	1.04	0.91	0.96	1.39	0.98	0.94
N-Acetyl-L-histidine	ME465302	0.10	0.59	1.22	1.11	0.90	1.29	0.91	0.74
4,4^-dimethoxy[1,1^-biphenyl]-2-carbonitrile	ME464956	0.01	0.66	1.13	1.03	0.90	1.34	0.90	0.97
L-Phenylalanine	ME465239	0.03	0.68	1.08	1.02	0.98	1.31	0.96	0.84
1-[(9Z)-hexadecenoyl]-sn-glycero-3-phosphocholine	ME464862	0.02	0.70	1.27	0.92	0.79	1.22	1.05	0.97
D-2-Amino-hexano-6-lactam	ME465097	0.01	0.74	1.10	1.02	0.82	1.19	0.99	0.93
1-Oleoylglycerophosphocholine	ME464879	0.01	0.71	1.10	1.03	0.72	1.39	0.88	0.97
Beta-Alanine	ME465051	0.01	0.79	1.02	0.90	0.73	1.35	1.00	1.02
Diaveridine	ME465108	0.04	0.61	0.77	1.17	1.17	1.19	0.80	1.17
PEG n5	ME465346	0.04	0.62	0.76	1.22	1.26	1.12	0.78	1.15
Dibenzoylmethane	ME465109	0.05	1.08	0.98	1.27	0.69	0.87	0.85	1.06
Dibenzylamine	ME465110	0.07	0.78	1.23	1.18	0.61	1.07	0.89	0.96
Linoleyl carnitine	ME465232	0.02	0.98	1.44	1.31	0.71	1.06	0.71	1.03
L-MethionineS-oxide	ME465236	0.02	1.08	0.89	1.06	0.87	1.14	0.94	0.93
Oxido(dioxo)vanadium	ME465338	0.13	1.01	1.16	1.12	0.87	1.20	0.83	0.99
Palmitoylcarnitine	ME465342	0.05	0.78	1.09	1.32	0.92	0.93	0.83	0.92
D-Ala-D-Ala	ME465099	0.02	0.97	1.50	1.11	0.93	0.95	0.92	1.04
2-Phenyl-4-pentenal	ME464922	0.06	1.00	1.12	1.12	1.09	1.06	0.88	1.00
1-Palmitoylglycerophosphocholine	ME464882	0.00	0.86	1.19	1.15	0.98	1.03	0.90	0.97
L-Glutamine	ME465222	0.01	0.88	1.29	1.05	1.03	1.03	0.98	0.98
N,N-Diisopropylethylamine (DIPEA)	ME465280	0.01	0.89	1.25	1.11	1.14	0.93	0.97	0.96
Sinapylalcohol	ME465387	0.27	0.79	0.90	1.13	0.80	1.04	0.92	1.07
1-stearoyl-sn-glycero-3-phosphoethanolamine	ME464886	0.03	0.81	0.83	1.22	0.79	1.03	0.79	1.29
PEG-4	ME465350	0.13	0.75	0.99	1.16	0.88	1.02	0.86	1.19
Triethylene glycol	ME465413	0.06	0.72	1.04	1.13	0.82	0.96	0.92	1.24
Homoarginine	ME465176	0.01	0.81	0.80	1.16	0.67	0.74	1.04	1.14
L-alpha-lysophosphatidylcholine	ME465207	0.02	0.82	0.69	1.08	0.55	0.92	1.07	1.04
Adenosine 5^-monophosphate	ME465024	0.00	0.82	1.04	1.18	0.70	0.85	1.00	0.98
Uridine	ME465427	0.01	0.72	0.92	0.99	0.64	0.92	1.15	1.03
Pipecolinic acid	ME465360	0.00	0.82	0.91	1.08	0.73	0.89	1.02	1.18
Uracil	ME465424	0.00	0.84	0.91	1.01	0.80	0.92	1.10	1.06
4-Methylene-L-glutamine	ME464984	0.01	0.56	0.73	1.03	0.81	0.99	1.09	1.09
L-Citrulline	ME465215	0.01	0.54	0.72	1.03	0.82	1.00	1.09	1.09
L-Carnitinamide	ME465214	0.01	0.88	0.74	0.97	0.80	0.94	1.15	0.99
5-(N,N-Dimethylcarbamimidamido)-2-oxopentanoic acid	ME464988	0.00	0.81	0.72	0.92	0.90	1.06	1.13	1.03
ornithinoalanine	ME465335	0.01	0.80	0.71	0.92	0.88	1.08	1.13	1.02
L-Lysine	ME465234	0.02	0.73	0.90	1.02	1.00	1.13	1.01	0.99
1-Pyrroline	ME464883	0.00	0.63	0.78	0.99	1.12	1.17	0.99	1.08
Cyclohexanethiol	ME465093	0.00	0.57	0.76	0.97	1.15	1.25	0.99	1.08
1-Methylhistidine	ME464875	0.01	0.60	0.88	1.00	1.32	1.01	1.07	1.02
7-methyl-3-nitroimidazo[1,2-a]pyridine	ME465004	0.01	0.77	0.78	1.00	1.10	0.95	1.10	1.01
2-Methylthiazolidine	ME464917	0.00	0.78	0.68	0.97	1.22	1.07	1.07	1.00
3-Methylsulfolene	ME464950	0.00	0.77	0.70	0.98	1.24	1.05	1.06	1.02
L-Methionine	ME465235	0.00	0.77	0.70	0.98	1.23	1.05	1.06	1.02
3-Chloro-4-nitro-1,2-oxazole	ME464936	0.07	0.99	1.10	0.99	1.20	0.97	1.04	0.99
Dichloromethane	ME465112	0.00	0.97	1.10	0.98	1.14	0.99	1.05	1.00
1-Aminocyclopropane-1-carboxylate	ME464869	0.02	0.82	0.82	1.08	1.12	1.05	0.94	1.12
Porphyrin	ME465366	0.01	0.99	0.83	1.01	1.30	0.90	1.04	1.07
Quinoline	ME465379	0.01	0.93	0.85	1.03	1.11	0.91	1.06	1.03
L-Tyrosine	ME465245	0.00	0.96	0.89	0.99	1.15	1.01	1.03	1.03
Phenylpyruvate	ME465356	0.00	0.95	0.89	0.99	1.13	1.01	1.04	1.03
Coumarin	ME465087	0.00	0.97	0.89	0.98	1.09	1.01	1.05	1.03
Coumarone	ME465088	0.00	0.95	0.88	0.98	1.11	1.02	1.04	1.03
Phenol	ME465352	0.00	0.95	0.88	0.98	1.11	1.02	1.04	1.03
N5-(L-1-Carboxyethyl)-L-ornithine	ME465292	0.00	0.85	0.98	1.07	1.15	0.66	1.10	1.16
2,3,4,9-Tetrahydro-1H-β-carboline-3-carboxylic acid	ME464892	0.01	0.94	0.62	1.13	1.20	0.74	1.05	1.06
2-Naphthylamine	ME464918	0.01	0.98	0.78	1.02	1.10	0.81	1.10	1.07
L-Tryptophan	ME465244	0.00	0.98	0.78	1.00	1.12	0.80	1.12	1.09
trans-3-Indoleacrylic acid	ME465411	0.00	0.98	0.78	1.00	1.12	0.80	1.12	1.09
1,5-DAN	ME464860	0.00	0.97	0.78	1.03	1.00	0.80	1.10	1.10
4-Ethynylaniline	ME464967	0.00	0.95	0.79	1.02	1.03	0.81	1.10	1.09
6-Methylindole	ME465001	0.01	0.96	0.79	1.01	1.02	0.81	1.12	1.08
2-cyanobenzaldehyde	ME464904	0.01	0.80	0.78	1.02	1.06	0.76	1.14	1.13
L-Pyroglutamic acid	ME465241	0.01	0.79	0.77	1.09	1.10	0.83	1.06	1.07
Uric acid	ME465426	0.00	0.95	1.19	0.87	1.17	0.76	1.25	1.00
Dihydrothymine	ME465118	0.01	0.74	1.17	0.91	1.00	0.88	1.19	1.02
O-(4,8-dimethylnonanoyl)carnitine	ME465326	0.13	0.78	1.15	0.83	1.04	0.92	1.28	0.88
7_8-Dihydroneopterin	ME465003	0.07	0.84	1.02	1.12	0.97	0.79	1.06	0.94
ETHANOLAMINE PHOSPHATE	ME465141	0.01	1.08	1.16	0.96	0.93	0.86	1.10	1.08
N-Acetylornithine	ME465303	0.01	1.12	1.02	1.07	0.84	0.88	1.04	0.97
Cyclohexylamine	ME465094	0.10	1.06	0.89	1.01	1.09	0.89	1.14	0.74
1-Methyladenosine	ME464874	0.01	1.00	0.92	0.82	1.04	0.86	1.30	0.94
3-Butyn-1-al	ME464935	0.01	1.12	0.83	0.95	1.01	0.61	1.26	1.04
5-Hydroxyisourate	ME464996	0.00	1.16	1.01	0.90	1.00	0.71	1.24	1.02
4,6-Dimethyl-2(1H)-pyrimidinone	ME464958	0.02	0.98	2.07	1.17	1.10	0.82	0.91	0.91
Fomepizole	ME465151	0.01	1.03	2.18	0.94	1.61	1.37	0.82	0.86
L-Octanoylcarnitine	ME465237	0.00	1.07	1.33	0.73	1.53	0.99	1.23	0.94
Decanoylcarnitine	ME465104	0.01	1.17	1.41	0.73	1.12	0.95	1.27	0.92
LAUROYLCARNITINE	ME465213	0.02	0.98	1.45	0.72	0.85	0.98	1.33	0.84
1-(beta-D-Ribofuranosyl)-1_4-dihydronicotinamide	ME464857	0.01	1.06	1.29	0.87	1.49	1.33	0.97	0.86
3_4-Dihydroxymandelate	ME464932	0.01	1.10	1.21	0.90	1.73	1.35	0.87	1.00
cis-dihomoaconitic acid	ME465080	0.00	1.17	1.20	0.93	1.57	1.24	0.91	0.99
5-Hydroxy-L-tryptophan	ME464997	0.01	1.05	1.61	1.01	1.57	1.50	0.74	0.84
8-Hydroxyquinoline	ME465011	0.02	1.30	1.43	1.03	1.65	1.35	0.76	0.86
Aniline	ME465034	0.05	1.25	1.45	1.03	1.45	1.38	0.76	0.86
5-Hydroxyindole-3-acetic acid	ME464995	0.00	1.27	1.45	1.04	1.54	1.36	0.76	0.85
N-Benzylformamide	ME465306	0.02	1.33	1.48	1.03	1.54	1.35	0.76	0.83
N-[(2S)-2-Hydroxypropanoyl]methionine	ME465282	0.01	1.42	1.73	1.00	1.59	1.11	0.86	0.87
apronalide	ME465038	0.00	1.14	1.78	1.00	1.35	1.32	0.81	0.90
N1-Acetylspermidine	ME465283	0.01	1.24	1.66	0.87	1.42	1.23	0.96	0.90
3-Hydroxy-cis-5-tetradecenoylcarnitine	ME464943	0.07	0.80	1.69	0.72	1.23	1.79	0.95	0.72
Ecgonine	ME465134	0.00	0.80	1.47	0.84	1.02	1.77	0.83	0.91
Propionylcarnitine	ME465371	0.00	0.81	1.50	0.87	1.02	1.80	0.79	0.90
Indole-3-acetaldoxime	ME465190	0.03	1.02	1.51	1.08	1.24	1.72	0.61	0.81
Acetoacetate	ME465016	0.02	0.98	1.38	0.72	1.57	1.71	0.91	0.92
D-Carnitine	ME465102	0.00	0.75	1.37	0.97	1.32	1.54	0.82	0.85
Lactamide	ME465206	0.02	0.99	1.42	0.91	1.40	1.51	0.84	0.92
trans-2-Dodecenoylcarnitine	ME465410	0.03	0.90	1.71	0.79	1.37	1.22	1.12	0.76
(2E)-hexadecenoylcarnitine	ME464843	0.11	1.09	1.58	0.97	1.05	1.17	0.98	0.79
9,12-Hexadecadienoylcarnitine	ME465013	0.12	0.90	1.43	0.79	0.83	1.32	1.14	0.75
cis-5-Tetradecenoylcarnitine	ME465079	0.03	0.98	1.63	0.79	0.96	1.43	1.05	0.77
3, 5-Tetradecadiencarnitine	ME464927	0.07	0.91	1.41	0.80	1.08	1.44	1.05	0.76
Pantothenicacid(VitaminB5)	ME465343	0.01	0.82	1.47	0.80	0.93	1.53	1.00	0.88
4-Quinolinecarboxylic acid	ME464986	0.12	1.64	0.46	1.37	0.43	0.70	0.91	0.75
Capryloylglycine	ME465066	0.06	1.73	0.37	1.07	0.51	1.23	0.87	0.93
L-Histidine	ME465223	0.02	1.78	0.63	1.24	0.32	1.07	0.82	0.81
sn-glycero-3-Phosphocholine	ME465389	0.01	1.76	0.64	1.18	0.46	0.93	0.90	0.93
3-CYSTEINYLACETAMINOPHEN	ME464937	0.00	1.70	0.88	1.16	0.64	1.35	0.75	0.71
Indolylmethylthiohydroximate	ME465197	0.03	1.98	0.92	1.16	1.05	1.46	0.65	0.61
L-Homocystine	ME465226	0.01	2.00	0.91	1.15	0.72	1.46	0.67	0.67
4-Aminopyridine	ME464964	0.06	1.84	1.13	0.69	0.81	1.30	1.10	0.88
Crotonic acid	ME465089	0.01	1.56	0.74	0.93	0.79	1.26	0.90	1.15
Nitrosoheptamethyleneimine	ME465316	0.02	2.10	0.73	0.83	0.72	0.58	1.27	1.08
Pulcherriminic acid	ME465372	0.04	1.86	0.44	0.49	0.90	0.52	1.69	0.96
Imagabalin	ME465187	0.02	1.69	0.53	1.04	0.70	0.48	1.49	0.05
4-Guanidinobutanoate	ME464969	0.06	1.68	0.65	0.88	0.95	0.85	1.33	0.40
D-Apiitol	ME465101	0.07	1.77	0.52	1.05	0.74	0.86	1.24	0.21
Phylloquinone	ME465358	0.45	0.96	0.39	0.75	0.71	0.74	1.52	0.76
gamma-Glutamyl-gamma-aminobutyraldehyde	ME465155	0.14	0.98	0.80	0.95	0.70	0.87	1.26	0.70
4-Aminohippuricacid	ME464962	0.04	1.06	0.65	0.82	0.53	0.86	1.42	0.68
Phenylisocyanate	ME465355	0.03	1.07	0.64	0.82	0.55	0.89	1.40	0.69
(1-Ribosylimidazole)-4-acetate	ME464839	0.02	1.28	0.87	0.87	0.71	0.95	1.22	0.86
1-Tetradecylamine	ME464887	0.07	1.22	0.68	0.92	0.91	0.70	1.29	0.88
2-Aminoacetophenone;O-Acetylaniline	ME464900	0.14	1.43	0.91	0.92	0.81	0.70	1.26	0.85
2,2^-Iminodipropan-1-ol	ME464891	0.04	1.06	0.45	1.07	0.73	0.71	1.34	0.39
2-Methylcholine	ME464914	0.04	1.22	0.74	0.87	0.74	0.46	1.58	0.48
2-Acetolactate	ME464899	0.09	1.47	0.51	0.70	0.72	1.00	1.28	1.10
3-Methylcrotonylglycine	ME464949	0.09	1.31	0.62	0.71	0.86	1.07	1.27	1.00
GLUCONOLACTONE	ME465157	0.14	1.46	0.58	0.55	0.79	1.13	1.45	0.73
L-Ascorbate 6-phosphate	ME465210	0.08	1.55	0.52	0.48	0.51	0.97	1.56	0.89
Ala-Tyr	ME465027	0.07	1.24	0.19	0.79	0.38	0.92	1.34	1.00
3-Ureidoisobutyrate	ME464955	0.04	1.67	0.42	0.77	0.32	0.64	1.49	0.80
Pyroglutamic Acid	ME465374	0.01	1.64	0.38	0.76	0.28	0.65	1.40	1.13
S-Phenyl-D-cysteine	ME465391	0.10	1.42	0.29	0.29	0.14	0.15	2.21	0.86
Deacetylcefotaxime	ME465103	0.03	1.26	0.20	0.96	0.11	0.58	1.51	0.51
1,7-Dimethyluric acid	ME464861	0.08	1.43	0.13	1.34	0.10	0.18	1.19	1.03
Metoprolol	ME465266	0.01	1.19	0.43	0.93	0.16	0.02	1.60	1.19
Theobromine	ME465405	0.00	0.62	1.07	1.49	0.06	0.15	1.08	1.11
Methyl isonicotinate	ME465262	0.00	0.81	0.48	1.33	0.26	0.14	1.20	1.25
Hypoxanthine	ME465185	0.00	0.40	0.75	1.27	0.39	0.37	1.13	1.37
Inosine	ME465198	0.01	0.37	0.68	1.31	0.32	0.32	1.17	1.26
1-Methyluric acid	ME464877	0.05	0.51	0.25	1.43	0.34	0.36	1.12	1.00
Caffeine	ME465064	0.00	0.36	0.03	1.52	0.05	0.56	0.95	1.17
3,5-ditert-butyl-4-hydroxybenzonitrile	ME464930	0.01	0.01	0.01	1.18	0.01	0.01	1.56	1.25
Caprolactam	ME465065	0.02	0.16	0.17	1.41	0.13	0.16	1.21	1.36
Theophylline	ME465406	0.00	0.25	0.06	1.29	0.05	0.31	1.27	1.30
N6-Acetyl-N6-hydroxy-L-lysine	ME465295	0.08	0.05	0.06	1.19	0.06	0.22	1.59	0.68
Tolperisone	ME465408	0.06	0.10	0.10	1.16	0.08	0.08	1.68	0.69
glutathione disulfide	ME465161	0.03	0.14	0.39	1.12	0.28	0.29	1.49	0.99
Buflomedil	ME465058	0.06	0.14	0.12	1.54	0.16	0.12	1.25	0.87
Acycloguanosine	ME465022	0.04	0.05	0.33	1.43	0.04	0.06	1.36	0.94
Guanine	ME465167	0.07	0.10	0.36	1.37	0.09	0.15	1.36	0.95
Haplopine	ME465169	0.08	0.71	0.79	1.13	0.62	0.38	1.52	0.25
L-Formylkynurenine	ME465219	0.01	0.53	0.38	1.12	0.52	0.99	0.93	1.53
PEG n6	ME465347	0.02	0.29	0.44	1.31	0.64	1.34	0.69	1.21
3-Hydroxy-N-(2-oxotetrahydro-3-furanyl)dodecanamide	ME464946	0.06	0.37	0.51	0.73	1.11	1.37	1.27	0.83
Nicotinuric acid	ME465313	0.03	0.44	0.74	0.70	1.13	1.47	1.24	0.77
N(alpha)-Benzyloxycarbonyl-L-leucine	ME465278	0.05	0.62	0.55	0.76	0.83	1.60	1.11	0.87
Porphobilinogen	ME465365	0.06	0.78	0.73	0.70	0.75	1.57	1.18	0.76
Valylvaline	ME465430	0.05	0.62	0.46	0.91	0.69	1.28	1.15	0.82
L-Proline	ME465240	0.01	0.43	0.62	0.76	0.82	1.24	1.29	0.92
Veronal	ME465432	0.04	0.58	0.67	0.81	0.64	1.34	1.16	1.01
2-Hydroxyquinoline	ME464910	0.02	0.33	0.24	1.11	0.24	0.96	1.17	0.98
met-thr	ME465269	0.02	0.33	0.19	0.97	0.52	0.74	1.32	1.21
Hippuric acid	ME465175	0.00	0.30	0.15	0.94	0.63	1.37	1.13	0.90
hexobarbital	ME465172	0.10	0.50	0.32	0.88	0.49	1.00	1.30	1.02
Anisole	ME465035	0.24	0.42	0.23	0.99	0.69	1.07	1.21	0.84
glutaraldehyde	ME465159	0.19	0.44	0.27	0.75	0.77	1.10	1.40	0.88
methyl 3,4,5-trihydroxycyclohex-1-ene-1-carboxylate	ME465259	0.01	0.37	0.51	0.93	0.31	1.33	1.17	0.83
Carbaryl	ME465069	0.09	0.53	0.60	1.01	0.42	1.02	1.26	0.61
(4E)-2-Oxohexenoic acid	ME464847	0.13	0.61	0.70	0.96	0.39	1.14	1.14	0.95
Indole-3-acetic acid	ME465192	0.02	0.76	0.44	1.05	0.39	1.12	1.07	0.94
Gly-Lys	ME465164	0.01	1.03	0.29	0.86	0.57	1.40	1.13	0.76
4-Indolecarbaldehyde	ME464979	0.03	0.81	0.47	1.11	0.74	1.10	1.02	0.84
N-Acetyl-L-citrulline	ME465298	0.10	0.80	0.28	1.07	0.61	1.20	1.05	0.77
Metalaxyl	ME465252	0.01	0.74	0.95	0.72	0.22	1.50	1.15	1.04
Acetyl-β-methylcholine	ME465021	0.01	1.09	0.95	0.78	0.74	0.92	1.19	1.34
4-Acetamidobutanoic acid	ME464960	0.01	0.83	0.51	0.59	0.46	1.03	1.46	1.17
Acetonecyanohydrin	ME465018	0.05	0.87	0.57	0.61	0.71	1.22	1.31	1.18
Ankorine	ME465036	0.04	0.17	1.09	0.70	0.68	0.69	1.63	0.88
Trp-Phe	ME465422	0.08	0.15	0.89	0.57	1.08	0.56	1.72	1.15
4-Hydroxyprolylleucine	ME464976	0.05	0.40	1.09	0.62	1.01	0.76	1.54	1.13
alpha-Ribazole	ME465030	0.07	0.36	1.12	0.55	1.21	0.73	1.63	1.07
3-Dehydrocarnitine	ME464938	0.11	0.47	0.30	0.78	0.94	0.64	1.48	1.19
(S)-4-Amino-5-oxopentanoate	ME464854	0.03	0.55	0.68	0.62	1.14	1.09	1.40	1.08
Valclavam	ME465428	0.11	0.53	0.66	0.50	1.06	0.75	1.71	0.95
S-Methyl-1-thio-D-glycerate	ME465388	0.28	0.60	0.90	0.64	0.38	0.76	1.58	1.02
2_3-Dimethylmaleate	ME464896	0.01	0.45	0.55	0.63	0.63	0.64	1.68	1.02
3_4-Dihydroxyphenylethyleneglycol	ME464933	0.12	0.27	0.54	0.76	0.50	0.65	1.58	1.03
beta-Leucine	ME465052	0.00	0.30	0.76	1.00	0.41	0.57	1.36	1.13
Ectoine	ME465136	0.05	0.49	0.78	0.85	0.67	0.72	1.37	1.19
2-Hydroxyhippuric acid	ME464907	0.06	0.58	0.16	0.74	0.13	0.71	1.59	1.05
2-Furoylglycine;Pyromucuricacid	ME464906	0.10	0.42	0.34	0.69	0.33	0.94	1.59	0.79
tranexamic acid	ME465409	0.20	0.56	0.52	0.71	0.33	0.99	1.55	0.66
Trilostane	ME465415	0.17	0.33	0.56	0.76	0.25	0.62	1.70	0.71
2-Hydroxypyridine	ME464909	0.09	0.48	0.40	0.83	0.54	0.58	1.62	0.75
Leu-Val	ME465217	0.08	0.48	0.50	0.78	0.40	0.75	1.57	0.81
N-(indol-3-ylacetyl)glutamine	ME465279	0.15	0.45	0.25	0.72	0.19	0.58	1.83	0.50
Nisoxetine	ME465314	0.22	0.35	0.33	0.68	0.44	0.54	1.85	0.57
Vestitol	ME465433	0.22	0.48	0.44	0.67	0.48	0.59	1.77	0.72
1,3,5-Heptatriene	ME464858	0.50	0.83	0.19	0.57	0.18	0.41	1.79	1.19
Tetralin	ME465404	0.32	0.62	0.45	0.46	0.42	0.48	2.00	0.69
3^-HYDROXYPENTOBARBITAL, (1^R,3^S)-(+/-)-	ME464947	0.03	0.77	0.42	0.33	0.58	0.56	1.97	1.04
Hexanoylglycine	ME465171	0.16	1.02	0.22	0.38	0.67	0.32	2.06	0.85
clomazone	ME465083	0.01	0.01	0.01	0.01	2.40	5.77	0.03	0.08
Norketamine	ME465321	0.01	0.02	0.02	0.02	1.44	5.80	0.08	0.07
Ketamine	ME465205	0.00	0.00	0.00	0.00	1.14	6.03	0.01	0.04
(1S,2R)-3-(4-Chlorophenyl)-3,5-cyclohexadiene-1,2-diol	ME464840	0.02	0.04	0.02	0.02	1.24	5.93	0.04	0.03
2-Chloro-4,4^-biphenyldiol	ME464903	0.01	0.02	0.02	0.02	1.35	5.95	0.03	0.03
Laudanosine	ME465211	0.00	0.01	0.01	0.01	0.01	5.97	0.01	0.45
Benzyl2-methyl-3-oxobutanoate	ME465050	0.25	0.36	0.37	0.39	0.39	3.98	0.53	0.36
Dioxohongdenafil	ME465125	0.01	0.03	0.11	0.37	0.12	4.19	0.52	0.41
Fluconazole	ME465148	0.00	0.01	0.01	0.01	0.01	4.33	0.78	0.53
Hexylresorcinol	ME465174	0.05	0.09	0.09	0.11	0.39	4.84	0.50	0.15
Pitavastatin	ME465364	0.01	0.02	0.18	0.27	0.02	5.12	0.12	0.59
Xanthohumol	ME465435	0.02	0.04	0.24	0.33	0.04	5.04	0.11	0.53
5-Aminopentanal	ME464993	0.02	0.29	0.27	0.33	3.62	3.01	0.73	0.72
BiochaninA	ME465054	0.03	0.29	0.22	0.15	3.50	4.19	0.48	0.20
(5alpha,6beta)-3-Hydroxy-17-methyl-4,5-epoxymorphinan-6-yl beta-L-glucopyranosiduronic acid	ME464849	0.04	0.15	0.09	0.15	5.09	4.47	0.27	0.17
CephalosporinC	ME465072	0.01	0.02	0.02	0.02	4.13	5.46	0.02	0.11

Factors:

F1	group:-
F2	group:COVID_before_ventilator
F3	group:COVID_ICU-no vent
F4	group:COVID_non-acute
F5	group:COVID_undecided
F6	group:COVID_ventilator
F7	group:Healthy
F8	group:QC

Data matrix