Metabolomics Workbench : NIH Data Repository : Analyze Studies

Metabolite structure	F1	F2	F3	F4	F5	F6	F7	F8	F9	F10
10-Undecenoic acid	3516335.93	3915713.26	3813594.06	4029955.72	3372994.15	12841335.14	3726416.82	4116626.42	4935323.20	5356438.99
1,1,6-Trimethyl-1,2-dihydronaphthalene	747862.72	829854.09	897438.38	958346.88	773306.64	2712874.38	2938638.75	880878.87	1016867.34	863893.59
11-Aminoundecanoic acid	1256218.37	1695678.98	1595236.11	1641322.83	691929.38	664919.37	904717.71	6431014.85	46625.59	1777426.28
11-Nitro-1-undecene	6915815.36	7305258.51	9857404.04	8677860.33	6859914.96	16407003.54	13092451.88	11793086.01	8324330.16	8733640.92
11-Nor-9-carboxy-thc	119667.71	207832.30	781577.89	721846.12	145714.22	172532.76	706503.49	736217.83	39016.81	384538.37
1,2-dihydroxyheptadec-16-yn-4-yl acetate	1011143.33	2183723.94	1102539.85	1506053.97	1132808.26	1257339.22	1651394.17	1587283.72	96666.42	1278976.10
1-[2-Methyl-3-(methylthio)allyl]cyclohex-2-enol	1291264.49	1426121.13	1464838.14	1391257.16	1338863.04	3935315.12	1465828.37	1418910.92	1697693.42	1482172.04
1,3-di-o-Tolylguanidine	23713.41	1156329.87	24645.86	24629.15	32442.19	49850.48	26108.87	28659.62	25343.96	81276.11
1-(3-Furyl)-1,4-pentanediol	3184659.75	5433934.94	4033912.11	3757996.69	4440031.10	3781824.88	3833825.09	4513249.96	3441689.74	8570867.60
1-(3-Hydroxypropanoyl)-1,3,6,8-tetramethyl-1,2,4a,5,6,7,8,8a...	4154008.07	6689348.24	4011115.93	8103779.77	6009596.84	6354464.90	7944902.87	6506153.25	46223.68	6824511.03
1,4a-Dimethyl-6-methylene-5-[2-(2-oxo-2,5-dihydro-3-furanyl)...	89084.91	102709.64	100363.68	2769042.37	132152.41	143613.94	214190.35	131812.69	46560.38	254850.20
1,4a-dimethyl-9-oxo-7-(propan-2-yl)-1,2,3,4,4a,9,10,10a-octa...	542978.74	2446460.67	541509.95	22345746.40	1114543.34	3841223.90	840540.74	2251425.68	128284.59	5713639.10
1-[5-(4-Hydroxy-2-butanyl)-2-methyltetrahydro-2-furanyl]-4-m...	2031151.69	3767378.13	1474414.77	1898025.52	2853037.79	4523076.15	1341186.73	1887140.83	444689.77	1588335.28
1-(5-Acetyl-2-hydroxyphenyl)-3-methyl-1-butanone	3275892.85	4070123.54	4788557.45	4140527.54	4265675.69	10013597.09	4145601.85	3345858.06	3557049.92	3857689.14
1-[5-Nitro-2-(1-pyrrolidinyl)benzyl]-1H-imidazole	20569.63	40693.92	51371.55	38314.24	40238.41	32687.60	33098.85	61878.49	41913.23	1556058.54
16-Heptadecyne-1,2,4-triol	437282.61	715314.88	356843.94	331791.69	552675.25	1120268.48	352587.50	378464.92	310805.77	523423.75
1,6-Hexanediol diacrylate	1021789.69	1212615.36	1221646.06	1263956.51	1047206.49	3777163.27	1196270.70	1241959.36	1418742.52	1207903.51
17a-Methyl-androstan-3-hydroxyimine-17ß-ol	2304219.31	6384228.83	6118300.84	1100316.01	1648239.69	380080.33	2705976.59	6477010.84	122950.66	1403702.90
1,7-Dihydroxy-12-methyl-13-vinyl-2,10-dioxatetracyclo[5.4.1....	10084976.65	11888688.64	6515851.10	6405339.71	11194866.40	12423319.06	6556696.65	6317320.94	1455872.23	8774995.53
17-(Hydroxymethyl)-12-methyl-8-oxapentacyclo[14.2.1.0~1,13~....	126898.28	185455.11	118719.37	5125010.02	286819.63	400357.85	303172.22	307891.42	43074.72	1097278.11
1-arachidonoyl-sn-glycero-3-phosphoethanolamine	46963310.78	61539669.68	69029495.89	68953482.18	59859133.77	71036400.55	88195262.39	62632005.68	155961.74	78016404.13
(1E)-1-(4-Methoxyphenyl)-4-methyl-1,4-pentadien-3-one	833198.51	963450.51	860775.51	905084.94	970043.51	1826395.18	869616.06	957116.06	674874.76	847572.19
1-Isopropenyl-3-isopropylbenzene	327863.06	545402.79	313617.23	429390.31	310470.57	387895.69	511446.02	525138.22	57260.10	4448957.02
1-linoleoyl-sn-glycero-3-phosphoethanolamine	49052272.09	71425665.20	68487404.72	72450771.93	62854457.31	85659254.14	79709526.76	65144104.02	128317.43	78450476.17
1-Methyl-1-benzylidene-acetone	1314327.80	1469393.84	1286036.09	1331607.99	1508370.24	2818080.64	1329373.23	1388070.57	1029012.89	1330518.73
1-Methylimidazoleacetic acid	6388216.89	285875327.99	17726913.29	30898873.83	20641714.85	13722959.73	33481270.04	62247434.02	2073435.28	2999755.85
(±)-1-Octen-3-ol	1832429.97	2272627.49	2139380.76	2110527.04	2033614.38	4287904.79	2193049.61	2238634.86	2431112.71	2620336.19
1-Pentofuranosyl-2,4(1H,3H)-pyrimidinedione	4877847.19	11674784.68	5249542.49	8419407.27	5549392.92	8246000.51	6687078.54	9520113.93	145321.42	5857190.89
1-Piperideine	2258041.21	3464324.97	2438776.56	3410913.13	2817531.77	3350918.30	3392010.41	3859919.55	1575783.98	3313847.35
(1R,4aS)-7-(2-Hydroxypropan-2-yl)-1,4a-dimethyl-9-oxo-3,4,10...	47088.65	69476.32	48527.62	879263.64	57959.01	105926.60	63967.66	65629.44	37928.94	225917.19
(1S)-1,5-Anhydro-1-benzyl-D-galactitol	167557.18	208799.20	170763.11	182534.44	149180.35	430758.62	179449.86	189329.43	193965.74	211202.88
(1S)-1-Carboxy-2-(1H-imidazol-4-yl)-N,N,N-trimethylethanamin...	3837906.42	3935215.87	2264884.31	4603045.55	3345849.80	6107861.29	2622664.83	5710052.15	1610722.60	19788416.23
(1S,3R,4S)-3,4-Dihydroxycyclohexanecarboxylic acid	1881581.48	7283644.53	4107695.90	5387350.62	5126097.84	7792154.33	3690781.21	9766627.75	385632.20	1953796.03
(1S,4S,5R,9R,13S)-5,9-dimethyl-14-methylidenetetracyclo[11.2...	187011.88	353485.93	422060.60	1360964.17	693974.44	981087.83	2886489.04	3128585.09	51483.54	1108477.11
2,2,6,6-Tetramethyl-1-piperidinol (TEMPO)	4952093.27	6855601.48	6427973.06	6068617.70	5936737.90	8043015.60	6312467.43	6529338.91	5509110.20	6452894.11
2-(2E)-2-Octen-1-ylcyclopentanone	991507.83	946417.28	983503.91	914696.58	880444.51	2701228.48	861832.33	944956.22	1542967.51	1089779.64
2-(2-Hydroxy-2-propanyl)-4-methoxy-7-methyl-2,3,6,7-tetrahyd...	477140.73	2027680.15	946584.78	2140871.73	825793.16	1443629.94	642486.19	1340948.83	51282.15	1255695.47
2-{[(2S)-1-Methoxy-1-oxo-2-hexanyl]amino}-2-oxoethanediazoni...	5514312.18	6889491.28	3607665.90	3102486.33	2782808.11	3136638.93	5247063.32	6330119.27	1864971.31	4768769.14
2-[(3,3-Dimethyl-2-oxiranyl)methyl]-4-(3-methyl-2-buten-1-yl...	880866.98	550961.45	429556.86	236009.98	337831.67	517995.41	254712.49	281198.13	103985.36	292161.45
2-(3-Phenylpropyl)tetrahydrofuran	1331072.71	1485166.60	569387.14	596676.73	1208492.54	1728129.30	583638.67	585152.12	485224.18	1228622.16
2-[4-(3-Hydroxypropyl)-2-methoxyphenoxy]-1,3-propanediol	3067272.90	6679613.22	5073507.30	5436152.09	6356932.48	9394513.69	4730592.98	7558007.17	1560930.77	2812143.41
2444643WXK	6856163.34	8820341.66	8781358.50	8435943.93	8136375.81	19262046.96	9450609.67	8815071.98	9396540.55	10868563.73
2,4,6-Octatriyn-1-ol	4492105.68	4683038.58	1623477.49	1701352.76	4861111.54	4540409.28	1552370.03	1506606.28	1440145.24	3540326.22
2,4,9a-Trimethoxy-3,4a,5-trimethyl-2,4,4a,5,6,7,8,8a,9,9a-de...	37265423.56	70388711.97	44302712.04	80016180.00	54613879.54	62602471.77	77498356.70	65051926.86	428070.71	59161769.74
2,4-Dimethyladipic acid	4553734.27	8015996.55	3842017.56	3804969.65	4271758.11	4264142.92	5868241.93	8832494.12	649768.58	4290362.62
2,5-Dimethyl-4-ethoxy-3(2H)-furanone	2616125.38	4542013.73	2131552.88	2303882.35	2373443.50	2576591.42	3326754.06	4886512.34	494738.35	2519630.75
2,5-Furandicarboxylic acid	19397261.47	15421604.23	15496017.83	11165293.83	24143016.29	17234032.07	34251517.33	20338838.22	128756.53	13340759.90
2-Acetyl-3,5-dimethylfuran	41137442.09	56826682.75	24981501.11	19302108.53	25045754.34	21360433.70	45704616.35	39867336.23	185439.76	34706966.23
2-Amino-3-methoxybenzoic acid	12509210.08	24688783.41	19431213.96	20630024.34	20397947.06	17398181.50	21172819.34	16714289.84	121394.99	12728794.80
2-Aminonicotinic acid	1855286.06	4379417.40	4924231.28	1803475.13	3281362.25	3021424.15	1736266.33	8411878.22	1367763.66	1753877.73
2-Butyl-6-methoxyphenol	2713887.12	3341011.71	3573036.09	3261676.86	4724534.97	4205611.65	4076621.03	3989215.13	1913934.54	2994709.40
2-[(Carboxymethyl)amino]-7-octenoic acid	1389011.76	1014697.49	1155495.85	446566.61	314598.73	608667.53	779232.16	1589011.07	74098.84	539072.62
2-Decylfuran	4363753.99	5285633.24	4884083.15	5145047.34	4270538.62	8821575.43	5697246.82	5517352.49	4720674.54	6330111.63
2^-Deoxycytidine	1611668.55	487865.37	14060804.59	3187192.78	65698331.20	2129596.59	961066.74	959302.89	317522.32	150999414.47
2^-Deoxycytosine	15305615.10	17220360.56	17047154.41	36679149.22	14187783.98	16866131.66	22924265.79	15237798.39	14133288.44	10669790.73
2-deoxyglucose	4047010.13	4361839.54	2444060.70	2433167.66	4191718.96	4187211.81	2422815.54	2379600.85	477367.38	3148124.35
2-(Diethylamino)ethanol	594481.43	798298.64	1312575.44	995445.27	857568.89	671383.58	714325.75	831329.95	34984.72	5943116.32
(2-(Dimethoxymethyl)-1-heptenyl)benzene	482432.66	607151.01	476203.86	508594.54	641155.96	1610999.66	750651.88	719194.52	354300.31	597948.46
2-Dimethylamino-5,6-dimethyl-4-hydroxypyrimidine	14364595.24	10371652.59	8522423.08	21899442.37	9348048.87	11477150.07	10806453.37	5820367.82	13739212.86	10538865.92
(2E)-2-Heptenoic acid	1604401.00	2415690.91	903486.52	1186499.22	2002954.14	2480346.42	889594.44	990421.95	292451.56	947515.80
(2E)-2-Tetradecenal	560366.22	1509916.47	568548.74	729394.25	911111.13	1584316.91	505033.53	802685.01	186077.85	515345.16
(2E)-3-(3-Hydroxyphenyl)acrylaldehyde	3084162107.90	4316021384.60	3667473325.60	4141387443.30	3544816436.20	4195713060.00	4310204700.10	4589703976.60	1096807.23	3695402742.50
(2E,6E)-2,6-Octadienal	3179197.28	5359862.17	2609529.44	3175459.21	3015277.32	2988549.58	3345543.07	4633151.42	371014.61	2905211.95
(2E,6Z)-Nona-2,6-dienal	1783391.24	3304456.22	2636160.13	3998245.38	1301854.13	2078122.34	2029248.94	8505878.76	309035.50	3706895.96
2-Hydroxy-4,5^,8a^-trimethyl-1^-oxo-4-vinyloctahydro-1^H-spi...	149439.07	194386.78	149610.88	1862864.89	147154.78	243553.29	169576.27	169311.36	76861.64	521992.45
2-Hydroxybenzothiazole	4131381.08	5372179.49	5557817.91	4903684.43	5216915.55	4503079.97	5600795.16	5336484.21	1373046.13	1055712.29
2-MeO-E1	239733.43	416416.12	211266.00	3769034.01	668743.45	785998.07	691906.09	762147.57	51745.95	1151827.28
2-Methoxy-7,7,8b-trimethyloctahydrocyclopropa[4,5]indeno[5,6...	805554.24	1312965.92	412145.31	455622.49	962622.43	1560456.85	385983.50	446137.42	180220.30	673200.14
2-methyl-4-ethyl-5-propyloxazole	1789039.85	2432374.31	904989.64	753390.86	878440.78	808061.11	1764135.53	1745414.59	25014.57	1283584.23
2-Methylthiazolidine	5074912.84	9012874.33	8226379.47	12096380.59	7413404.35	13529229.97	12406606.29	14048166.09	27936.26	6761294.73
2-Oxobutyric acid	27413181.15	17484356.42	40203252.10	24413482.85	23751437.28	10822963.70	47979609.68	22857144.22	302160.01	35626168.12
2-Pentyl-3-phenyl-2-oxiranecarboxylic acid	235847.31	239331.42	381333.23	432131.26	227194.40	1657285.28	377473.52	392268.20	394849.26	303763.19
2-phenyl-2,4,6,7-tetrahydrothiino[4,3-c]pyrazol-3-ol	756192.04	1161919.17	821402.05	733449.74	895250.12	1084282.80	824247.94	974513.66	103417.49	568370.82
2-Phenylethyl D-glucopyranoside	19595409.14	23065637.49	12062470.13	11943977.62	21633739.41	24387022.89	12261823.95	12075921.89	2900285.12	17209074.06
2-Propionyl-1,4,5,6-tetrahydropyridine	4977092.96	7429618.34	1842350.69	1864172.65	4267770.54	5545962.14	1809114.68	1845030.53	1676775.81	8088644.68
2-Propylfuran	2729715.61	3818776.96	924653.59	1313126.54	3180566.12	3706459.14	999517.89	1688049.36	513139.86	4889246.99
(2R)-1-{[(2-Aminoethoxy)(hydroxy)phosphoryl]oxy}-3-hydroxy-2...	11657085.64	19745427.24	11711647.44	17492000.13	15879123.01	25046987.29	18275174.66	17964860.56	80990.70	18667643.66
(2R)-1-{[(2-Aminoethoxy)(hydroxy)phosphoryl]oxy}-3-hydroxy-2...	3530431.37	4946179.73	3786036.04	4752218.06	4115276.52	5440611.04	5637591.08	4750830.67	117730.20	5174957.88
(2R)-3-{[(2-Aminoethoxy)(hydroxy)phosphoryl]oxy}-2-hydroxypr...	2069689.02	3338761.20	2355943.37	3234134.64	2636720.63	3800120.43	2931296.21	3278794.49	54141.74	3245045.98
(2R,3S)-3-Hydroxy-8-methyl-8-azabicyclo[3.2.1]octane-2-carbo...	2217482.46	2622264.51	381762.62	380299.54	2226614.74	2531328.69	386933.10	384020.66	304802.10	1435701.16
(2R,5R,6R)-3-[(1E,3E)-hepta-1,3-dien-1-yl]-5,6-dihydroxy-2-(...	12185334.70	14700104.05	5834322.50	5619199.12	12965727.83	14506490.60	5614957.33	5607391.99	2397293.71	9942173.37
(2S)-2,3-Dihydroxypropyl pentadecanoate	4008055.73	6653155.15	3086032.95	2235059.73	3986175.35	2838309.74	4460140.41	4660756.79	297283.08	3335861.30
(2S)-2-Amino-8-oxodecanoic acid	1983108.23	1557079.13	1403559.26	558315.08	1020835.13	904640.08	1618883.46	1574541.75	76313.70	1076963.67
(2S)-4-Methyl-2-({[(3S,4S,5R)-2,3,4-trihydroxy-5-(hydroxymet...	3935737.55	5022210.86	3945754.86	4793039.36	5542379.98	7208481.15	5487354.45	4607642.10	64410.32	293924.26
(2S,8R)-2-Amino-8-hydroxydecanoic acid	738979.33	877444.31	1145117.70	641020.66	359569.18	340996.23	649289.12	1649814.60	28635.58	638183.52
2S-Amino-tridecanoic acid	295167.63	671784.38	467397.77	588615.23	193664.10	369017.83	302147.05	1296567.61	52713.96	533881.67
2-(tert-butyl)-1,3-thiazolane-4-carboxylic acid	831200.18	1214014.21	1442044.27	1683257.83	880929.90	1472081.35	2477274.61	2756434.75	59930.43	1600681.04
(2Z,12Z)-2,12-Tetradecadiene-4,6,8,10-tetrayne	21991977.32	24695097.72	25087376.93	24626643.85	23327982.38	24360557.62	26325554.24	24359826.76	45581.65	22801321.95
(2Z)-2-(3-Hydroxybenzylidene)heptanal	3196464.67	5967431.13	510256.27	535547.56	5227380.55	3956360.63	493514.33	463366.48	455804.68	3615203.29
(2Z)-2-Benzylidene-3-hydroxyheptanoic acid	311234.40	484954.39	459457.52	409246.01	431776.57	1178357.13	452891.12	516484.16	406179.11	514387.75
(2Z)-2-Benzylidenehexanal	2724013.60	2884371.27	3168599.80	3077032.11	2720625.67	8271858.02	2757430.49	3082611.32	3999400.54	3052476.04
(2Z)-2-Nonenoic acid	3980005.18	7518841.06	5415442.35	8049362.84	3287958.80	5025074.42	4240109.09	17327241.39	497309.03	7207135.57
(2Z)-3,7-Dimethyl-2,6-octadien-1-yl 3-oxobutanoate	1637223.91	1290884.97	2503817.35	713046.38	1690794.47	968827.76	1072874.44	544843.23	137616.24	1121178.56
(2Z,4E)-2,4-Hexadienedial	5463012.07	8026202.22	7019768.72	7272267.13	6253119.96	6262933.45	6956285.49	7575230.85	112052.88	662897.72
(2Z)-4-Methyl-2-phenyl-2-pentenal	351392.44	405001.37	438033.20	383948.36	404322.58	1066206.49	389835.54	414833.02	485351.45	418539.90
3-[(1S)-2-Cyclohexen-1-yl]-L-alanine	1775741.66	2967366.38	177620.97	174457.16	1736819.02	2065831.14	259993.65	282059.48	59968.42	1250567.79
3-{2-[(1R,4aS,5R,6R,8aS)-6-hydroxy-5-(hydroxymethyl)-5,8a-di...	5400955.58	10615408.68	6396317.27	11993191.86	7303680.72	8885416.15	10955236.28	9146836.43	36770.80	8781786.18
{3-[(3,3-Dimethyl-2-oxiranyl)methyl]-4,6-dihydroxy-2-methoxy...	2201026.41	2342842.54	689639.10	655895.34	2282556.92	2738399.24	691374.57	710663.49	292083.36	1765361.31
3,4-dehydrothiomorpholine-3-carboxylic acid	31091244.23	41843345.09	29119624.62	13928080.64	230547409.30	68912475.05	25984721.41	34336464.34	52277.56	5098371.94
3,4-Didehydroretinoic acid	82641.12	138556.08	80984.84	1796255.56	112970.68	202484.93	145996.73	186168.76	74787.19	371086.12
3,4-Dihydroxy-5-(3-methyl-2-buten-1-yl)-2-(4-methylpentanoyl...	268601.43	180647.70	357774.18	181237.12	305874.10	1262188.62	357771.28	279201.14	545937.59	253907.41
3,4-Dimethyl-5-pentyl-2-furanpropanoic acid	1482853.54	2170783.28	1370507.13	1849604.47	1235392.86	1408570.98	1210919.31	1426180.17	221104.61	1207389.94
3,4-Methylenesebacic acid	2484585.79	4213763.63	3339835.16	4017342.54	3937350.79	6070770.29	3375146.30	3635918.94	1915572.57	3783157.34
3,5-di-tert-Butyl-4-hydroxybenzaldehyde	22751848.78	29253937.99	28800715.03	28382998.32	23606821.93	47003103.47	25869263.27	29393681.08	17966723.81	23122942.57
3-(5-Hydroxy-2,2-dimethyl-2H-chromen-6-yl)-1-phenyl-1-propan...	1855128.25	1953014.29	140941.73	150484.17	1751995.94	2424920.96	126928.73	177870.03	55258.42	1121875.83
3,6,9-Trimethyl-2,7-dioxo-2,3,3a,4,5,7,9a,9b-octahydroazulen...	143440.94	154859.50	95392.90	761052.04	117405.26	207321.11	107191.69	116861.73	62793.35	178689.17
3,6-dibenzyl-1,2-dihydro-1,2,4,5-tetraazine	1674168.63	1284915.31	875316.60	304769.87	869244.59	1122959.26	311218.08	538664.10	91157.11	861663.74
3,8,9-trihydroxy-10-propyl-3,4,5,8,9,10-hexahydro-2H-oxecin-...	4195586.91	5485749.41	9569370.39	4392714.41	4643086.31	1878318.24	2076216.38	3540053.88	987165.95	2757443.52
3-Acetyl-6-hydroxy-4a,5-dimethyl-4a,5,6,7,8,8a-hexahydro-2(1...	7232784.81	8732264.78	8697591.62	8204012.58	7864668.19	23300122.42	8163837.45	8468424.29	9544349.53	8909964.42
3-Allylcyclohexene	2261052.60	3093436.08	328427.24	429454.68	1944404.30	2447038.23	419687.38	411388.42	231392.49	1463203.84
3-Amino-2-naphthoic acid	1259265.50	1789064.32	1639853.20	1896675.03	811025.55	941027.33	882088.91	891252.52	33132.64	1231767.48
3-amino-2-phenyl-2H-pyrazolo[4,3-c]pyridine-4,6-diol	1173366.78	1245068.03	2344099.17	2455663.62	1143564.45	1564509.54	2303736.14	2419347.02	51503.52	1609081.24
3beta,21-Dihydroxy-4,4,14-trimethyl-5alpha-pregn-8-en-20-one	2763841.07	4806429.92	10560453.13	9917253.60	3938494.25	4546685.21	5031925.38	5461759.04	107644.11	8611963.16
3b-Hydroxy-5-cholenoic acid	2890268.67	5536186.62	19009193.93	16393462.28	17370967.25	10348806.42	2690136.84	3662959.81	104190.70	9517172.06
3-Dimethylallyl-4-hydroxymandelic acid	1770709.61	2012986.98	1749484.50	1669214.30	1907115.74	5239731.48	1687435.93	1652041.87	2254398.13	2010179.93
(3E)-3-propylidenephthalide	2100874.95	2296266.44	2292290.79	2177538.73	2184034.25	4243953.58	2156535.73	2164807.49	2667866.60	2509826.01
(3E)-4-(4-Hydroxy-2,6,6-trimethyl-1-cyclohexen-1-yl)-3-buten...	4498812.03	5633275.73	3087777.58	3010772.72	4706354.83	5824254.66	3192862.05	3296130.88	4215328.45	4752161.43
3-Hydroxyanthranilic acid	5846156.51	5964907.68	6107462.54	5984613.23	7658662.89	8606929.11	9320919.90	8823714.48	58047.51	6850474.27
3-Hydroxynonanoic acid	581499.79	1195336.69	861095.53	1272220.32	494207.89	774293.02	663982.37	2900520.07	65885.04	1095271.59
3-Hydroxytetradecanedioic acid	2468936.72	1758843.30	2924545.16	942325.83	2099900.70	1171156.43	1647873.75	1014513.26	49913.36	1684736.94
3-Hydroxytridecanoic acid	6766696.77	9592869.46	3381246.21	3269361.61	7063635.47	7941466.34	3269803.07	3471418.13	3086779.85	12492044.50
3-Indoleacetamide	10396228.38	7884122.73	7427216.57	8465797.62	9334720.97	9822127.30	8093908.87	8886194.37	103146.15	7209817.50
3-Indoleacetonitrile	6082040.74	6138786.12	5435755.92	5682738.36	6282199.21	6252285.41	6043572.87	6620665.79	56780.30	5349508.75
3-Methoxycinnamic acid	315528.09	329883.14	340125.98	325215.90	288273.56	806800.15	336660.51	350438.56	473836.00	329083.05
3-Methylbutanoic acid	3282447.15	4252406.12	2179408.56	2125448.34	3041185.89	3592525.58	2136355.11	2171818.90	2105321.29	6168183.19
3-Oxocholic acid	193900.79	288586.75	1747657.41	1455486.38	924768.92	607248.87	213953.57	275414.21	35773.39	626692.45
3-oxoindane-1-carboxylic acid	8956240.09	10042895.51	10112257.20	9885373.49	9295163.50	23072654.18	10016609.49	8933100.70	10963794.32	10590408.82
3-oxolauric acid	2744978.78	5103271.38	1797977.16	2414577.14	4309392.15	5035047.03	1473424.06	2416824.34	358836.93	2045006.85
3-Oxooctanoic acid	20493647.30	27714091.26	20336333.12	19825263.42	24029045.06	24428161.17	19813368.26	19570177.63	17004599.55	39251516.13
3-Tropanol	23985303.80	34709913.92	16753560.52	16919355.25	17642645.27	15991804.03	24601268.59	27080885.79	664643.57	21591454.57
3-Ureidopropionic acid	8857086.61	20421184.02	11464241.35	13450027.88	16125080.30	12075522.30	12774961.36	19215562.68	2025622.32	14083557.61
(3Z)-Hex-3-enyl isobutyrate	2877109.99	3030944.73	3476850.25	3156509.64	3066322.77	8297879.02	3744059.15	3198348.92	4149898.52	3384879.98
4-(1,3-Benzodioxol-5-ylmethyl)-3-(3,4,5-trimethoxybenzyl)tet...	6004359.11	8188547.13	2572842.87	2842442.10	7717620.30	7609003.43	2551256.61	2589835.11	372126.49	5727992.64
4-(2,3-dihydro-1,4-benzodioxin-6-yl)butanoic acid	99094.93	1435632.00	196504.78	1508631.63	92456.83	945075.61	155171.41	677826.04	45770.96	911246.85
4-[(2-Isopropyl-5-methylcyclohexyl)oxy]-4-oxobutanoic acid	2627985.97	1968665.95	4115464.56	1143899.35	2740103.52	1504754.04	1727412.95	840720.12	185910.41	1749871.97
4-{[5-(6-Hydroxy-5,5,8a-trimethyl-2-methylenedecahydro-1-nap...	1527862.08	3101269.06	6183873.07	5571772.33	6653852.15	3490244.26	2319802.34	2818511.24	93100.14	3960144.38
4,9-dimethyldodeca-2,4,6,8,10-pentaenedial	8252132.35	10939097.11	12645443.76	8748118.58	8988806.85	30728163.69	11261641.30	11042991.75	14432329.98	11400562.52
4-Deoxy-5-C-(3,5-di-sec-butyl-1-cyclopenten-1-yl)pentonic ac...	385146.18	1505277.89	371127.80	1720421.98	347871.60	886629.40	324015.24	609871.04	48349.86	842112.35
(4E)-2-Amino-3-oxo-4-nonenoic acid	1111628.41	1948555.19	746230.67	503766.75	2661177.73	1458939.36	1187184.47	975436.54	38577.31	4805185.40
(4E)-2-Amino-3-oxo-4-undecenoic acid	8284640.16	10920530.73	4118721.57	3355762.16	4877172.06	4257472.91	7702777.63	7387319.89	387005.73	6585679.14
4-Ethoxy ethylbenzoate	59108757.08	62086418.47	71235162.53	69196940.18	67414460.45	160601653.04	69105151.77	71436488.24	88815798.09	70508081.41
4-Ethylguaiacol	6144165.47	9593024.87	4787675.56	4652880.17	5946191.20	5032196.00	6252969.50	6622873.60	936788.94	5742865.98
4-Hydroxy-3,4a,5-trimethyl-4a,5,6,7,8,8a,9,9a-octahydronapht...	1236556.63	2455961.03	115746.35	151149.37	2184206.33	1568271.98	135821.44	143129.16	107148.76	1500922.36
4-Hydroxybenzaldehyde	28381478.97	69515323.61	47048680.06	61561229.17	43144350.42	50355793.62	69292865.96	78620014.66	282878.42	29778020.03
4-Hydroxybenzotriazole	14183399.19	17971335.42	17961898.26	22955967.90	14997546.90	13754604.89	14201837.46	15601607.79	25383.30	17114794.86
4-Hydroxynonenal	6153564.76	6915566.95	963940.96	952561.31	6466022.70	6527317.55	941483.09	981905.21	736090.55	3246670.51
4-Indolecarbaldehyde	33928849.10	45419777.20	34602151.74	39007578.73	40049621.85	48684361.58	42488597.41	51618923.20	44691.58	38387445.02
4-methyl-5-oxo-2-pentyl-2,5-dihydrofuran-3-carboxylic acid	3986418.16	5386660.76	2005104.60	1252191.09	1961282.79	1789742.67	3604388.32	3487716.02	81145.76	2786796.68
4-Methyleneglutamine	29103585.58	35093985.41	34565418.55	28504579.28	41803340.98	37764500.80	47152641.89	35534713.52	500364.66	34416903.92
4-Oxocyclohexanecarboxylic acid	534139.61	2586866.10	1006531.49	1389815.21	1351387.51	1549830.78	915234.38	2694556.86	172574.43	500161.84
4-oxododecanedioic acid	2047315.37	2431405.42	1707886.75	1229488.28	1588498.78	1569163.38	1531612.22	1287198.13	154265.91	1659046.39
4-Phenylbutyric acid	633660.51	1150410.64	1015227.28	1235801.18	889434.97	1465404.85	1717776.13	1764335.28	170708.38	1139135.11
4-Propylbenzoic acid	2405132.42	2896018.92	2912113.47	2857416.95	2651126.69	5997050.53	3025671.57	2965182.31	4879811.06	3112979.55
(4R)-5-Hydroxy-L-leucine	3152998.04	5098581.08	4538739.87	5062225.89	4559952.96	5806295.49	6099287.17	6979470.18	113271.32	4013644.41
(4S)-4-Hydroxy-4-methyltetrahydro-2H-pyran-2-one	18747496.45	22506070.30	6404219.74	7624339.87	20927366.86	23289386.40	6533641.01	7535370.50	2137454.93	11761429.18
(4S,5R,8S,9R,12R,13R)-1,5,9-Trimethyl-11,14,15-trioxatetracy...	1916976.62	2880740.61	316202.74	305172.72	1945321.34	2419821.33	319189.73	314875.08	249367.67	3620512.77
4-Vinylcatechol	17161979.09	18373482.87	4926031.85	4742911.16	15769228.84	16658250.01	4813894.29	4687201.24	3437407.40	14694270.69
4-Vinylcyclohexene	3012282.98	3824180.54	774645.13	699394.60	3127442.71	2469033.60	877799.00	733271.15	892031.75	3211304.57
5-(4-Methoxyphenyl)-2-methyl-1-penten-3-one	421901.74	602288.65	581483.97	580059.14	479969.19	1207161.83	534510.78	589728.30	715949.12	578263.56
5-[(5-Hydroxytetrahydro-2-furanyl)methyl]-1,3-benzenediol	1955699.55	3346170.93	1994990.04	2372948.01	2078998.43	3381440.03	2635843.28	3009934.57	609254.16	1961461.31
5,8,12-Trihydroxy-2-oxododecanoic acid	6842980.51	14856062.10	7594417.40	7769537.78	9128490.45	9704842.40	5696803.74	9597775.97	823848.75	6467059.54
5-Benzyldihydro-2(3H)-furanone	1301056.07	1383948.88	1588816.77	1465689.32	1325625.07	3617728.75	1542226.32	1420509.80	1740919.45	1579952.34
5-Butyloxazole	3995411.44	4779136.20	730124.90	747473.83	3706169.26	4023189.80	732967.05	738886.98	593614.69	3246233.68
5-Hydroxy-2-furoic acid	15351209.23	11347734.10	12016359.63	8013155.09	18258110.41	11792187.57	25441418.27	14339591.29	91137.86	9659248.93
5-Hydroxy-4-methoxy-6-(2-phenylethyl)-5,6-dihydro-2H-pyran-2...	434088.09	567696.14	370887.81	389849.22	535322.30	1233308.41	383731.97	409198.29	465824.51	461999.57
5-Hydroxy-6-methyl-5,6-dihydro-2H-pyran-2-one	8807425.50	13708815.35	11914939.18	12099528.04	10253642.92	10740732.92	11834663.18	13304136.03	246992.30	1328296.98
5-Hydroxy-DL-tryptophan	31736288.49	31732149.41	28072857.86	29124008.91	33675330.89	32404039.77	30968795.85	31762015.83	75294.11	25031651.21
5-Methyl-2-octyl-3(2H)-furanone	31941138.52	29420898.73	55213887.86	48844252.61	27928520.78	52659084.27	228182034.04	79331220.67	17720976.70	64953317.98
5-Methylcytosine	13565998.28	17495191.51	14921447.36	17906259.26	17362591.29	15475174.01	23046591.58	22172263.33	228154.19	16078296.91
5-methyldeoxycytidine	13157825.74	20798494.57	17152848.91	20145950.47	19087703.09	21350653.50	26585531.16	26881587.47	73388.91	18725616.98
5-Phenylvaleric acid	4485707.61	4732758.08	4703775.95	4699752.80	4423564.89	13478316.86	4763745.39	4674071.97	5425467.16	5009894.14
(5S)-5-hydroxy-1,7-diphenylheptan-3-one	2729195.77	3292172.08	2533186.50	2273391.24	2216292.89	16297379.75	2385644.78	2921395.85	524465.48	18694962.69
6-[(1E)-3-Hydroxy-1-buten-1-yl]-1,5,5-trimethyl-7-oxabicyclo...	2781380.70	2941090.65	493936.48	447744.97	2804770.54	2950263.49	530499.43	554671.39	675800.12	1586627.55
6-[(1Z)-1-Propen-1-yl]-2,3,4,5-tetrahydropyridine	5676293.72	8254318.92	3920577.70	3980427.90	4233959.35	3788891.02	5836830.72	6485143.48	114566.32	5004212.21
6-Hydroxy-4,9a-dimethoxy-3,4a,5-trimethyl-4a,5,6,7,8,8a,9,9a...	13431389.32	16543055.58	16531036.83	16527735.11	14853010.01	47330661.22	16483985.99	16372747.51	18373831.43	17261949.98
6-Hydroxy-5-methyl-4,11-dioxoundecanoic acid	2881321.35	7105008.69	2910790.93	4621122.13	2564972.62	4349458.46	3602624.46	6144630.21	188171.16	3415528.18
6-Hydroxycaproic acid	20147621.66	19801077.54	21490796.41	21001558.71	20792132.28	19040025.25	15064032.95	24275572.34	884943.09	26920307.53
6-Methyl-6-(5-methyl-furan-2-yl)-hept-3-en-2-one	2093916.14	2270709.74	2439928.22	2329976.38	2225872.84	7003857.71	2405284.32	2413905.00	2840511.06	2483816.02
6-Methylquinoline	1901223120.76	2930278308.30	1940555986.70	2215256365.20	1523885303.58	2010010608.76	2826123543.20	3178858855.70	11686877.13	9031075933.75
(6S)-2,6-Anhydro-6-[(1S)-2-isopropyl-5-methylcyclohexyl]-L-g...	302181.30	791626.90	368090.43	358338.85	258954.30	614710.85	345030.30	1087188.01	65655.34	394341.95
7-(2-hydroxypropan-2-yl)-1,4a-dimethyl-1,2,3,4,4a,9,10,10a-o...	9339930.03	13335764.99	8355630.27	62266746.98	13574213.00	16946085.30	28719629.67	30120399.12	51814.08	25541938.45
7a-Hydroxy-3,6-dimethyl-5,6,7,7a-tetrahydro-1-benzofuran-2(4...	4068822.04	5352108.02	5162409.61	4829370.13	4857133.49	7769306.33	3634723.44	4208630.66	3487194.47	3261479.85
7-hydroxy-1,4a-dimethyl-9-oxo-7-(propan-2-yl)-1,2,3,4,4a,4b,...	9394964.81	13409316.08	8417599.48	63702663.26	13646317.25	17106197.22	28808379.67	30255886.55	97971.00	25671363.89
7-Methyl-2,6,9,12-tetraoxahexadecane	211000.53	324681.04	332589.31	279356.04	291324.60	608238.91	329963.05	533577.98	368691.62	524735.47
7-Octene-3,5-diyn-1-ol	6285571.02	6264022.51	3535722.14	3625626.34	6247573.35	7282471.01	3421625.24	3468600.97	1392510.17	4791850.19
7-Oxoheptanoic acid	1524513.38	2608142.63	495611.71	648096.10	1785860.54	2332493.47	512185.12	707051.63	204490.92	2103813.33
8-Amino-7-oxononanoic acid	2455812.28	4362756.89	2696474.84	2522125.89	3422795.84	3123430.02	2978439.40	3278943.68	2541264.64	5238050.53
8-Azabicyclo[3.2.1]octane-1,2,4-triol	17091319.71	25460818.25	9565139.62	6415102.76	11144824.50	8253583.91	20909733.84	12742513.56	236007.80	12971997.94
8-Azabicyclo[3.2.1]octane-1,2,7-triol	411507.47	490922.60	392683.04	398419.86	318304.79	158804.12	6792469.82	5053133.43	139937.23	1381322.87
(8E)-10-Hydroxy-8-decenoic acid	789333.43	1193958.22	570108.76	499956.23	833256.95	691739.32	839939.28	685816.24	192466.95	679034.14
8-Hydroxyquinoline	777030.89	411067.65	833482.66	730920.89	921508.58	599514.03	1260722.74	1384850.26	58399.54	173019.37
9,10-Dihydrokadsurenone	454464.09	1154672.83	322261.30	338096.93	482156.70	1530086.23	1609210.52	704068.11	75031.24	744088.91
9,10-Dihydroxy-11-(3-pentyl-2-oxiranyl)undecanoic acid	4388477.36	6933603.51	5983155.08	7147900.86	5663129.43	7243143.32	5305763.56	7380971.70	40257.00	5652675.84
9-Anthroic acid	562145093.86	647181166.63	656083605.26	643469212.08	603085300.00	686229697.86	673257066.70	641450970.82	121048.04	600682203.45
9-hydroxy-7-(2-hydroxypropan-2-yl)-1,4a-dimethyl-1,2,3,4,4a,...	1711539.84	2189958.06	739545.71	3752412.77	2177902.93	2235698.64	1935714.20	1805351.04	184447.46	2385413.80
9-Nitrooleate	993017.53	1064065.78	570415.85	388023.59	608272.55	630099.07	645933.26	592044.48	51061.95	568072.61
9-Oxononanoic acid	3645510.25	5538400.13	1980335.07	2602376.33	4856915.77	5839105.06	2175441.81	2784397.23	408536.42	2365891.18
Adenine	987368.20	2165746.44	812120.29	1292035.47	1028438.45	838175.59	763690.29	1316328.97	371954.22	727313.44
Adenosine	19807414.80	95430596.06	5452065.15	49703632.89	33611069.53	12336408.04	14394236.89	38698121.52	1884813.72	9986036.68
Aethusin	533396.21	546388.93	608095.84	544080.41	564165.60	1461678.22	532844.86	562340.23	997419.82	831540.24
ala-ile	2287789.46	1833365.51	1876839.06	841665.30	1484273.60	1148235.47	2224624.20	1365497.62	35690.44	1606340.43
(+)-Allopumiliotoxin 267A	154446.55	254937.49	351798.98	156897.58	153652.64	123069.46	1406639.22	521567.32	43193.66	103316.52
Allylcyclohexane	720682.25	820133.03	807949.91	774712.65	742616.32	1968216.65	798924.80	744786.55	834729.13	810288.85
.alpha.-Apocholic acid	3064674.17	5563150.36	7421149.53	7515934.74	8233497.09	4435723.56	5992611.65	6049302.01	94948.91	5850283.68
alpha-Ketoglutaric acid	26050051.65	20140581.43	16941906.17	18975491.37	28317356.85	27371448.57	39949897.82	24067774.32	90175.01	14672804.26
Alvameline	464175.16	292217.88	732523.76	8306765.28	1262319.15	2221659.60	496495.37	727199.80	624887.90	510130.80
Apocynin	5191846.65	6440003.73	6381447.66	6372825.74	5945600.51	14544360.16	6017123.31	6329882.59	7308989.98	6083829.62
Aprobarbital	962542.50	1430898.70	1026666.39	1023895.03	1375242.48	1507518.40	2129357.43	1937673.64	31993.48	1458669.95
Arnicolide A	313047.97	415663.66	399989.51	394347.26	332433.70	1299434.15	402994.45	402590.72	540715.05	446714.39
aromadendrin	83366.51	7478344.77	32140.55	47233.07	72145.87	106010.60	39308.68	38188.10	29135.57	47482.70
Asarone	328184.67	1902750.88	369515.68	784323.79	514972.67	1064362.25	737380.60	531158.27	236402.89	584279.13
ascopyrone M	45537254.79	85531780.16	62963868.01	80050425.27	65570381.22	67943587.58	80681046.29	91777010.47	1133439.82	68464524.31
Atagabalin	5366625.64	5075509.39	2754657.63	1724155.30	2661729.60	2201715.39	4781357.38	2799906.10	106342.15	3353368.58
Azelaic acid	23075233.62	42440234.99	18684936.01	24128571.89	23726315.73	23978731.67	26262286.02	37104723.07	10168454.95	21333299.93
Bemegride	42647727.73	64652882.49	25931470.47	20242941.33	26057170.61	22341776.00	47369606.93	42415409.76	306146.03	35866075.74
Benzaldehyde	3381951.30	5175414.68	4240906.98	4634911.51	4171491.79	4517510.95	5160200.82	5253067.93	84282.73	3802038.34
Bis(2-butoxyethyl) ether	5292698.28	7022018.88	7067373.57	6774310.36	6008688.81	18721272.77	6419847.51	7160222.27	7836326.46	7112059.21
Bis(4-ethylbenzylidene)sorbitol	34445531.12	39967611.97	34514177.23	40002792.96	30550818.04	51661830.86	32769977.63	37513313.76	168432.68	36422955.15
Bis(8-methyl-8-azabicyclo[3.2.1]oct-3-yl) (1S,4S)-1-phenyl-1...	24174584.36	35466840.36	29406213.10	35351443.41	28931526.73	36339920.23	33191377.98	34808120.65	171750.15	34929634.01
Bis(methylbenzylidene)sorbitol	256505783.85	314014139.24	175249195.05	173814121.40	300760782.19	352270861.42	172904925.91	169501240.21	47361623.03	241239928.47
Brassylic acid	2299502.78	2670841.08	343316.14	419679.26	2562740.00	3184010.18	359664.38	402209.40	194793.56	1447609.23
butoctamide	14581536.14	16620566.19	607533.40	568700.84	15707532.18	17334143.30	600069.06	664270.58	229101.92	7996954.94
Bz-Arg-OEt	1288603.66	879620.30	2145002.69	601310.48	1260219.30	392125.35	611574.35	560490.86	26051.87	812454.04
C8-HSL	2415124.98	6166802.44	1933308.73	3227281.50	2955724.76	2203619.20	3276401.78	4775824.71	219246.10	2907097.23
Caffeine	2532732526.60	2967676517.30	2835482274.30	2796408800.00	2578569929.00	2899267332.10	2973761774.60	3005535968.70	863361.23	2951894952.00
(+/-)-Camphoric acid	5168658.09	7892489.60	5009964.82	5109223.51	7458355.77	7787821.98	5198245.68	6341965.18	2682499.09	3898108.56
Caprolactam	3891876.39	3624141.63	2337039.20	1452925.71	2068765.13	2051956.36	3182477.92	2245515.69	746400.15	2047406.82
Capryloylglycine	517708.92	779003.12	326196.89	266397.26	163116.32	301649.64	502150.50	1336979.50	46789.11	493639.20
Capsi-amide	5453187.37	6665328.41	6878967.93	4589676.31	5480507.70	10898347.90	8140638.68	6410759.08	487944.01	7178548.91
capuride	7901534.62	8022111.81	4379592.60	2737247.22	3898444.36	3974255.17	7341552.48	4229597.32	148427.88	4676270.38
Carbazole	5027601.11	8688027.33	5651273.36	6468048.53	4025609.65	6451138.45	8286662.61	9687077.70	86504.06	30600085.08
carglumic acid	2152732.65	3039546.20	2522049.75	2851933.81	2979275.12	3110948.86	2779263.45	3472888.45	1128626.59	5594334.43
Cervonoyl ethanolamide	1191335.99	2368365.40	4976938.29	4394777.76	5216842.68	2723229.20	1831155.47	2225744.77	43055.62	3108693.49
Chromone	12124647.77	24199645.70	16066029.51	23327131.73	18496464.34	24570261.92	24515318.07	28302532.27	46391.58	11188253.73
cis-acetylacrylic acid	11359942.17	12384308.00	1084351.74	1116996.21	11668837.18	11821213.12	1051586.03	1605372.14	655248.64	6149987.21
Citric acid	103802887.42	87948816.38	89231748.85	60645345.71	138505569.22	115749228.98	208645570.60	119491173.91	267840.14	77379108.07
Clomazone	265275.24	444758.62	658270.11	722813.35	2113536.72	1559267.92	12072676.66	11899745.37	26312.34	3323073.24
CMPF	161470.41	1407409.91	1053604.19	1368595.78	672656.50	1537499.53	992833.92	1460431.01	75739.39	317316.85
Corticosterone	8507571.76	10729423.30	15461399.70	12169208.11	10252572.74	26585075.81	15134396.09	23658096.23	52502.33	14129285.88
Creatine	244293342.02	376023786.48	559939450.47	464216922.10	189802227.58	245239070.61	219510157.31	225718214.67	5687016.07	266734378.12
Creatinine	81875594.40	86001344.48	102785433.20	96447748.08	93122606.42	78066579.19	119045586.16	92296857.27	691453.13	77911720.28
Crotamiton	797905.04	969997.89	939915.67	970995.74	804908.12	2101532.12	866375.92	1118477.08	1117196.64	2164709.69
Cuminaldehyde	9584884.72	11030346.09	10366566.57	11230932.37	10690125.75	33333151.19	10359837.17	11002807.75	11241643.54	11095037.00
Cyclohexylamine	3714591.82	6865792.79	6855905.37	5120408.71	6294752.53	4487576.15	6520725.59	10075391.67	117046.94	8019389.49
Cyclo(phenylalanyl-prolyl)	1118127.97	1566922.34	1903681.55	2034128.66	1380920.60	1294252.66	2437378.80	2371527.08	59447.75	1677870.73
CYCLO(-SER-TYR)	11488548.07	4880141.62	10483668.34	3409267.78	23814819.62	9769828.04	43678149.25	12202678.67	290505.34	14541801.23
Cyprodenate	36455834.26	33561278.93	63642337.02	55739686.21	32914114.93	57951616.27	254552689.46	88747670.84	19474568.52	73202884.45
cystine	5781002.42	9879422.51	6549729.88	8403132.77	6975098.78	14382371.80	8727072.29	11107335.70	63765.68	8683125.09
cystophorene	1873919.87	3145810.47	1392092.70	1990440.21	2779135.18	3896920.51	1248724.26	1862363.48	256310.17	1351274.19
Cytidine	44498483.17	76006122.91	63548154.68	62064835.79	57272889.35	73949728.73	101594315.58	102573920.95	94065.65	55941388.17
Cytosine	168676190.44	116620780.81	36210752.72	38446796.55	52729371.95	31887586.93	130331507.20	60255782.95	117879.08	251919658.83
DEHYDROCOSTUS LACTONE	94460.65	128671.40	106269.30	95962.77	114957.04	613673.64	121678.38	132211.54	95463.46	113379.49
Desthiobiotin	560912.40	1825817.78	630130.93	1175914.97	623093.86	673614.07	459578.48	727070.33	64996.47	255132.59
D-Homoproline	95198456.64	154876432.48	90900640.76	183885909.52	158125834.60	125599563.55	137592795.17	193541545.76	1201525.15	117779425.35
Dibenzylamine	20179556.45	13987382.58	19848502.08	7780705.91	11358368.54	11326845.04	17682056.34	7941336.46	3561091.67	17358540.69
Dibutyl phthalate	18713287.25	94233781.94	24473625.30	122311076.33	18994674.42	57328844.06	13686124.63	52674855.65	988947.93	47611210.32
Diethylene glycol	846497.29	938845.33	841814.74	857040.95	847144.95	816625.50	1027904.46	978953.86	1427966.36	84007380.71
Diethyleneglycol dibenzoate	786458.79	1327269.26	1357587.36	1231212.85	1071591.00	3086527.93	937075.14	1184073.22	2327313.09	1060384.06
Dihydrocapsaicin	942983.93	1533927.55	625230.21	741933.31	1009479.58	831602.43	1393646.97	1431230.01	51777.20	1157483.18
Dihydrokawain	154272.47	189722.46	185542.99	178957.38	166059.50	852145.01	191117.85	173465.51	265577.80	174408.62
Dihydrothymine	9256601.48	14547761.19	7633891.21	10008784.50	5224469.64	6918288.09	4780034.33	4945043.72	106465.21	6582190.84
Diisopropyl phthalate	3002099.67	3402403.59	3569079.15	3373134.52	3106170.71	11109541.72	3309109.58	3501744.88	4491000.20	3720967.03
Dimethyl octanediimidate	844104.99	588726.48	311903.28	194041.18	267330.58	300735.11	494840.48	242818.53	20632.12	316803.64
Dioxy-creatinine	177357026.33	230905075.14	174358962.04	208205527.48	143767835.48	248020523.56	197274602.93	247360723.88	1585339.20	213337523.38
Diphenylamine	12515369.64	21188326.89	11394939.95	15092736.41	12626692.61	15477254.00	17511619.39	20496226.87	191947.54	7439564.21
Dipropylene glycol	11893028.28	12224357.01	10550263.02	10374172.11	13649494.00	25196356.30	10889458.15	12107816.73	10855346.68	11574725.20
Dipropylene glycol dimethyl ether	36125748.51	42504506.30	42574700.76	41957540.60	40405536.84	40405372.74	47410993.64	44663216.64	55665005.94	1675542617.50
D-Lactose monohydrate	4980903.26	6540985.81	5236454.76	5938363.17	24813101.32	10428427.20	10182847.96	9079714.48	96267.17	9507684.57
DL-Glutamine	21390951.43	29513048.33	26152276.86	29307108.19	21266100.12	44415524.61	38444859.83	49277110.09	296984.36	58001857.41
DL-Homoserine	35159977.24	113843096.88	51464767.65	381996059.27	236173283.01	379506169.61	300972873.89	122185754.58	9035302.98	38967440.17
DL-Lactic Acid	15902410.97	23252045.91	24732696.66	26070024.15	20003087.29	27845722.63	37412927.08	30047831.18	89490.02	12985798.26
DL-Lysine	198460329.84	302936830.36	241818121.53	273322290.29	259948718.52	290913401.93	304233242.41	340035078.17	1150054.08	300664636.19
DL-Serine	27610792.80	48636364.66	36001210.97	69678207.10	30340022.13	83117412.01	65116961.68	100273471.33	539464.76	64376832.49
DL-Tryptophan	3828219323.50	5786093776.10	4242970983.00	4721387280.30	4858801396.00	6240589636.40	5296609843.50	6374584632.80	610308.15	4750517652.00
Docosahexaenoic acid ethyl ester	1822191.29	4434811.61	15191228.38	11997351.73	12742781.86	7076584.24	3025831.43	4403973.63	47979.10	5205458.15
Dodecanedioic acid	1479113.91	3270768.49	2912465.37	2492136.55	1394514.56	1150425.92	922968.23	1960581.22	43832.01	1624267.36
D-PANTOTHENIC ACID	55465439.26	104763314.77	63956968.00	93802894.43	67560127.25	82308746.13	69131300.03	83400341.91	716295.68	67798842.78
D-(+)-Pipecolinic acid	167432013.08	253785914.64	200613243.80	229811420.60	218259031.21	242001684.79	253758561.66	284229248.60	1032483.88	253608789.09
D-(+)-Proline	53566708.40	72383381.11	60690745.61	79516439.00	58192445.29	67080475.62	72447654.86	71814546.37	790712.59	34904723.57
D-(+)-Pyroglutamic Acid	107249310.92	151755420.44	90493862.77	107919137.11	109931096.67	129792598.40	120837377.06	143440426.15	2706585.70	77831103.11
D-Sphingosine	796601.76	2710166.14	2203850.24	2699470.77	876596.30	2618105.37	2601964.22	3182597.22	44738.93	2097380.86
d-Valerolactam	1109636.11	1714119.66	1287951.52	1295355.11	1250914.41	1539507.63	8351055.71	11139901.74	984153.66	4472347.86
(E)-2-Butenyl-4-methyl-threonine	1051672.73	1123227.58	712043.76	500584.40	811492.18	736896.82	1137135.25	1265990.83	72398.24	743159.18
(E)-Aconitic Acid	14109343.53	9747369.38	10381357.40	7235305.35	17510842.96	13634905.17	23993875.93	13234361.31	44962.67	10168771.70
ENU	4066796.72	9167761.75	2785879.51	5640478.08	4644267.55	13051994.62	5542621.02	12122305.86	41968.53	6505283.05
Ethinylestradiol	170438.47	226200.71	157335.94	6465483.22	469490.88	416837.66	1038252.59	706445.97	52862.52	1461085.32
Ethyl 2,4-dioxohexanoate	2501578.12	2905682.96	448779.56	461624.43	2642483.50	2714596.25	432636.67	437183.86	303176.39	1487695.48
Ethyl 3-methyl-3-(p-tolyl)glycidate	12841722.77	15134860.66	15272506.86	14850801.87	13799154.83	44567613.99	14740402.40	14652813.80	18255471.71	15659132.53
Ethyl 5-oxotetrahydro-2-furancarboxylate	407986.60	1133606.91	749845.93	948096.16	873800.79	1196792.70	948529.42	3212173.59	168421.91	404471.22
Ethyl caproate	483380.15	583192.95	583298.02	544661.11	544512.87	550285.19	570450.79	589083.25	633479.94	4209360.93
Ethyl furfurylacetate	7920943.93	11354198.03	9848875.03	10281496.45	11830362.79	11956903.90	9238465.69	13207955.70	6077497.01	16911339.58
Ethyl N-[(2-isopropyl-5-methylcyclohexyl)carbonyl]glycinate	598740.35	1851257.04	731486.96	1612974.97	462314.70	1417538.32	1095206.77	2917659.07	48139.66	1282897.40
Ethyl palmitoleate	8850096.05	8772264.85	915395.57	4702780.89	5777895.98	9208347.45	883930.31	6301067.75	223412.96	6819624.46
Ethylparaben	403468.55	801456.97	369394.36	323211.11	393817.12	408510.71	556514.34	398409.78	149483.09	293365.19
Etodolac	660948.66	1394722.24	636799.94	517854.94	507479.39	452031.85	887385.05	2005923.45	48522.98	809722.49
Fenfuram	910973.61	1796945.13	1861401.69	2009356.67	1552629.34	1726989.98	1291634.00	1282290.21	110773.30	1296234.99
Furaltadone	9560152.63	21337786.07	14556085.94	19139730.90	14892180.59	17421239.14	21532278.66	26060511.83	54654.10	17726721.27
Gabapentin	63119248.07	70155304.71	86013581.37	77456547.72	72032156.57	93978409.36	77856536.33	88403488.75	86939475.05	83455507.97
Gamma-Hydroxybutyric acid	23084205.34	19428017.12	17999315.85	16909885.28	22552659.07	18319496.27	26220235.17	29001945.94	860245.03	25133596.85
gepefrine	3698063.25	5464336.55	2558485.97	2550016.59	2691740.41	2417661.56	3844001.35	4168718.67	67239.32	3233282.11
Gingerdione	167341.68	196622.21	163485.53	1046719.78	173020.24	326296.46	145407.99	143532.37	117669.22	198138.28
glu-leu	16537587.26	25356573.37	21679109.14	23769346.76	21128274.07	26311614.19	26121777.38	27115282.09	36121.11	21522099.96
glu-tyr	6149023.11	12199196.22	11305476.73	11055685.99	10308248.88	11966173.14	16426795.36	15693653.02	39166.80	8650527.15
Glycidyl methacrylate	6067952.03	15545349.49	1809876.68	1787707.24	11751297.67	11279507.25	1902054.22	1771776.71	649016.52	4526263.34
Glycocholic acid	1354658.23	2186285.63	1057459.81	1434874.74	1937527.76	3112161.68	1913437.91	1777705.25	41443.00	1829307.09
Glycyl-4-hydroxyproline	168542.11	1239502.65	148538.46	629684.36	206237.56	198037.52	98056.57	623439.13	57676.36	357876.82
Gly-Ile	556139.70	422892.94	452301.00	217851.44	366865.73	261564.40	668580.65	345992.40	26215.40	326571.31
Golotimod	1357624.48	2009464.91	1911949.21	1969861.27	1637013.40	1855546.64	2284345.24	2265797.88	20566.84	1864939.41
hexahydro-2-oxo-1h-thieno(3,4-d)imidazole-4-pentanoic acid	151869.50	72200.82	97126.96	145030.52	164172.28	7986635.68	156047.55	888897.63	159816.80	922726.70
Hexanal	1995535.55	1895527.42	2246479.31	1880048.00	1955047.87	1745379.15	1783786.00	1758437.33	2321446.53	9229384.72
hexapropymate	2637147.67	3619963.46	1345543.27	1129410.49	1299024.55	1231589.67	2703309.69	2616772.46	45631.62	1878931.35
Hexylresorcinol	22636071.23	21946893.82	4873570.83	5038569.04	20603590.83	19652294.25	4351081.57	4537410.38	2238515.13	14314953.44
HIAA	37021777.93	28778348.05	48198143.40	26448620.01	66575209.14	51196350.15	99337363.12	57766632.96	104533.63	46978050.75
Hippuric acid	14208957.88	2086039.14	94157186.00	16993301.32	26577742.21	2895520.61	56529036.92	3049605.13	114424.17	23698821.95
Homo-L-arginine	4493610.87	7062957.92	4724280.18	5740213.24	7068226.98	9451711.91	9188824.97	9955373.50	36211.81	6089318.44
Hydrochlorothiazide	292833.62	484629.49	401705.08	396115.28	78406224.75	427356.91	380755.61	433820.96	328951.27	13123812.52
Hypoglycine A	10064649.41	12355696.44	4363203.75	3199450.53	5042422.92	4443556.08	8885871.34	5856673.46	374522.47	6054993.52
Hypoxanthine	1173160.45	4461376.56	343943.64	1928324.81	1017726.82	292266.12	997591.50	1482433.24	160729.86	523666.32
Ichthyotherol	2160969.34	3916713.79	243663.84	209346.00	2201594.76	5482429.80	213376.98	188920.15	272248.86	5083432.82
Imagabalin	6268864.48	5159213.60	6580853.71	5365278.66	2421236.57	2465536.01	3456548.23	14973712.28	138607.68	5014910.50
Indole	38868855.76	54798205.28	40089585.18	45080130.17	48087920.22	57743866.47	50399871.90	61378020.12	50762.22	43880140.52
Indole-3-acetic acid	3602372.82	5786957.76	3890850.13	5034249.12	3373146.19	3748809.33	7063591.64	6911123.58	24006.22	5093307.17
Indole-3-lactic acid	2210145.38	3131338.31	2631066.60	2939533.11	3007238.86	3407158.12	4233392.96	4143327.26	20858.49	2921951.92
Inosine	8178936.03	25315797.57	4400990.27	9203610.64	11464388.73	8440456.28	9742479.22	12630953.62	256691.26	6766191.00
Iodocarb (IPBC)	1522528.09	1885318.98	1854467.53	1876799.45	1731978.33	3638771.84	1827947.73	1877405.45	2298076.33	1970431.78
Ketamine	2604708.02	934625.04	6918053.68	7024710.67	1055506.63	18744862.53	6091734.28	7418089.93	29933.88	13373309.46
L-(+)-Arginine	39725679.31	54516237.83	50642497.20	36726798.84	41970345.81	42898813.55	31453307.01	26082698.29	645389.09	44650401.59
Lauramide	10677236.19	12331427.37	12869220.95	10240110.75	8584079.29	18634145.29	13534616.57	13748417.03	6454428.84	12266927.65
L-(+)-Citrulline	24920233.57	30722356.81	30310548.68	25170820.84	36689767.31	33105123.04	41090211.91	31018805.32	219689.15	29901359.74
L-decyline	1752332.78	1605950.03	1000328.47	509998.94	720730.44	721283.58	1362228.27	2365889.75	34191.44	1157535.83
Leu-pro	125041.55	131308.07	112478.74	130224.97	1241945.12	163668.43	127917.42	134388.92	42959.03	4263452.65
Levalbuterol	520362.31	687182.42	564732.96	611732.58	655624.70	1252641.90	613406.35	651742.15	455861.77	579916.49
L-gamma-Glutamyl-L-leucine	3619843.98	5314582.33	4146697.23	4812912.80	4371472.46	5444225.70	5421340.54	5687187.92	33149.41	4580461.95
L-Glutamic acid	73227197.06	97617818.39	83423829.74	81612097.67	83979279.17	101601813.71	112625914.53	120559044.47	1350308.45	77249084.27
l-Histidinal	251973648.00	165140738.51	68613292.48	282839002.68	159839330.39	250732000.97	194007999.05	165163472.81	158709879.40	223546564.20
L-Histidine	23306288.73	42725430.29	35413056.08	39984366.44	33965957.48	45173834.57	39717647.17	51793698.95	972627.83	37156373.52
L-Hydroxyproline	15501971.79	22795513.60	9687939.00	12099984.52	17878011.13	28757766.85	22204640.68	23146855.42	400394.11	20763622.99
Linoleamide	59893338.06	56594887.66	41189643.92	25826337.38	16865838.58	23437690.55	39746387.51	78706451.28	423807.22	42784476.52
L-Isoleucine	5961374756.50	8845403889.50	6738260850.40	8677905076.20	7408939329.80	8669672476.80	7845839706.10	8877192863.10	1166815.23	6220442172.62
L-Kynurenine	34791083.01	26994630.10	45273121.24	24870145.34	62353171.66	48674523.86	92801158.84	54324251.42	87942.53	44290394.09
L-(-)-Methionine	12646792.95	727584.87	674193.32	919340.21	93950352.17	1869957.71	3038293.52	963327.34	313158.62	401579700.72
L-Methionine sulfoxide	592135622.90	756698964.02	733255376.95	778117733.30	745879173.17	616581405.57	660124816.24	724141654.54	941330.76	657758685.12
L(+)-Ornithine	12053516.08	19653281.86	12615027.92	14523298.58	14253982.27	17905339.19	13485420.44	16309633.96	1472284.89	15938336.88
L-Phenylalanine	3167098536.00	4451066474.20	3799360268.70	4273252167.10	3652287117.50	4336103166.50	4467685323.60	4728903809.60	1123869.31	3804823235.88
L(-)-Pipecolinic acid	30610366.71	92517157.87	64353804.25	81580092.69	48003005.76	64403142.04	72674047.73	108177843.57	630444.53	39773005.75
LQ1825000	8927463.40	13042002.21	5534645.02	4349142.54	5268990.46	4772126.02	9497602.52	8394323.92	497838.84	7074568.60
LU3453000	13159568.71	16642664.20	14381773.77	16371839.96	15368962.21	15768445.68	17005932.71	17551465.90	253975.40	17066759.92
L-Valine	1118417911.42	2042634136.20	1315220747.42	1970586658.51	1628913913.80	1803062527.40	1733391537.90	2103636397.10	2839482.20	1610849533.62
lysophosphatidylethanolamine (22:6(4Z,7Z,10Z,13Z,16Z,19Z)/0:...	1215997.72	1668625.06	1385724.37	1481060.58	1601743.38	3301237.80	2866012.73	2275673.09	83111.03	1786945.45
MDPV	412337.09	488153.19	485783.40	483396.66	451851.82	1729805.93	421880.74	447029.27	616363.66	523879.52
Meglutol	51941735.76	101234015.80	73933230.79	93446097.54	77441237.73	81189462.90	96921439.57	116773155.67	1424089.73	84267466.77
Methyl (2R,3S)-3-hydroxy-8-methyl-8-azabicyclo[3.2.1]octane-...	5682097.01	8142987.94	2962019.48	2489989.83	3090584.60	2786571.30	6475314.17	5911544.88	123520.87	4281031.55
Methyl alpha-aspartylphenylalaninate	6336509.68	8699219.11	8313081.91	8614648.08	7730129.57	9368923.69	11863093.31	10776725.05	72039.55	8633332.58
Methyl indole-3-acetate	5547476.72	7813941.30	6859380.33	7492376.85	3813523.92	4598067.08	3863000.32	3815276.74	37795.08	5165890.23
Methyl undec-10-enoate	1933286.19	2918586.62	2595783.04	2488181.90	2397160.57	4655724.28	2489150.83	2691926.89	2715534.23	3170456.48
MFCD00016472	5151170.21	7110265.41	5834021.66	6429404.65	5791114.92	8595133.59	5227599.81	5951249.13	1544650.00	7062458.36
MFCD00037215	7143685.29	8267678.45	7828288.84	5809906.58	10266801.43	7340506.60	10868339.41	8669063.61	58554.45	10093494.30
MFCD00065806	55851.89	60412.45	50354.80	2766738.67	73705.77	137194.08	108658.97	117965.03	42969.54	427452.60
MFCD00070502	4708654.63	4860146.68	719480.78	1585571.57	4928802.84	2986618.72	11936070.97	11742325.90	373031.86	10340784.71
MFCD00130070	4984751.69	5192182.58	4543220.29	4306783.82	3938779.42	6654607.98	5225497.49	5643051.67	1696731.50	4359408.93
MFCD01111382	1387704.45	1198657.02	1288290.48	1594351.83	1142768.08	4203840.84	1193958.86	1581182.92	1492339.47	1611907.03
MFCD08277025	759933.50	1919338.39	729255.58	494431.67	467484.98	346487.58	1009627.83	1897847.12	29856.48	883630.75
MFCD15144952	17872909.90	20112170.87	1695266.91	1721775.87	18849302.55	19344971.56	1666798.94	2239062.02	921533.08	9980908.06
MI5550000	541827.29	624480.11	750715.14	664767.05	549542.11	1924107.89	664937.36	699742.38	1166613.77	703073.97
miglustat	2729807.51	3515132.36	3734643.83	3647386.04	3798926.55	13366397.01	3524695.74	3735719.77	5483301.87	3698675.25
Mitraphylline	3996938.30	4421044.44	452059.52	455373.20	4335716.98	5371151.30	496447.72	520317.00	161720.82	2414963.27
ML-236C	494453.66	701182.23	623483.26	585431.39	552533.10	1484484.46	620338.74	686382.75	925758.49	598892.55
Monoethyl phthalate	1012436.84	318271.30	407060.91	274773.44	183740.58	274743.14	264442.38	289057.51	99058.14	349712.02
muramic acid	1367200.88	2311248.59	1605239.90	2376290.43	2672422.26	2693114.09	3498699.93	3894405.88	73557.20	910729.04
Muscimol	7057788.11	9001691.75	11501399.77	9674088.13	6869423.93	8319577.18	7104791.98	11881519.77	10786963.51	8631394.87
MX5800000	775152.28	2284412.19	1332168.98	2385911.14	1609482.81	3494808.04	1603698.55	3664546.49	387076.74	534805.96
N~1~-(5-Aminopentyl)-N~2~-(1H-indol-3-ylacetyl)-L-aspartamid...	931192.92	1111695.87	557511.67	449163.48	624113.32	665583.55	923435.55	393220.73	48605.16	574163.44
N-[1-Carboxy-3-(methylsulfinyl)propyl]glutamine	6268810.34	14732025.67	18831313.94	17033567.56	14576651.37	10402383.81	24113655.68	19246161.46	114302.08	8867651.92
N-[(2S)-2-Hydroxypropanoyl]-L-leucine	1546753.80	2848757.02	947111.68	992823.45	1085368.01	925468.09	2018895.86	1706089.71	161601.64	1152593.10
N-(3-acetamidopropyl)pyrrolidin-2-one	3825013.19	5023245.42	4295304.06	4214105.31	5310486.72	6319531.34	9799373.95	9273112.48	69610.69	5439213.90
N4-Acetylcytidine	2367259.84	3618415.43	3289270.34	3930426.70	3517857.16	4338938.44	6559999.31	6704349.82	24231.39	3884502.73
N6-Acetyl-L-lysine	7003323.45	7213466.30	6028429.50	6125410.55	9640094.94	8655812.81	8409420.99	7179148.96	42422.85	5384955.05
N-Acetyl-alpha-neuraminic acid	890426.71	2117661.21	1043341.73	1481906.90	1218994.42	1460596.84	1482438.12	2302347.16	35872.17	809022.89
N-Acetylimidoquinone	1539659.57	2347185.43	1888129.75	1894903.57	2130895.70	1225236.57	1352617.97	740808.51	26098.09	717520.57
N-Acetyl-L-leucine	107173695.33	163666386.79	73623588.74	45433523.86	78028589.47	60617215.94	124992941.83	104161787.02	601813.58	75478936.58
N-Aceyl-L-tyrosine	3041827.14	4355968.47	3794055.51	4008933.29	3409522.16	4380784.47	4218659.78	4573279.78	45894.22	4144868.27
N-Benzylformamide	506734.96	940617.47	329110.41	642319.61	413244.02	415974.14	442219.83	630765.67	105990.52	213867.84
N-Desmethyltramadol	7699283.07	8326010.57	9306361.29	8092587.02	7807427.48	8451321.97	29555687.81	10698805.16	3422029.24	12799850.35
N-Formyl-L-glutamic acid	1157285.22	4317555.77	750235.17	1613488.67	1631189.46	410105.25	1494180.48	1164205.57	986036.08	1049611.29
Nicotinamide	40837871.37	75761991.84	32378003.49	58724150.10	44238872.99	45888458.82	46062057.83	61430359.17	1602634.62	41328858.43
NJ5000000	1567101.08	1426966.18	1951751.19	4423913.43	1921223.53	3316015.77	2037624.29	1374106.57	1617760.38	2536058.57
N-lauroylglycine	1372721.86	2048955.30	1253760.21	1119629.05	1171179.87	1475305.39	1920214.94	2100255.19	100422.25	1508564.98
N-Methylcaprolactam	5989796.37	6949431.31	1801017.77	1812281.55	5894205.53	7281639.95	1656022.14	1709830.32	1206935.70	5859224.63
N-Methylglutamate	3925165.03	12112479.59	14912070.46	12989247.31	14869899.77	9941273.37	12568553.90	5468736.89	2490631.79	7096963.52
N,N-Bis(2-hydroxyethyl)dodecanamide	3326989.32	2815079.98	1675149.42	668183.27	2003124.04	1507759.78	2533949.46	1411121.49	92469.02	1945558.82
N,N^-Dicyclohexylurea	2315294.33	6315110.55	2216714.78	2520398.33	2658162.05	2767110.35	2361496.00	2208391.84	60161.04	272057.43
N,N-Dihydroxy-L-tryptophan	2649575.89	6448783.63	3465561.42	2781199.76	2804264.58	1956025.77	3109499.06	2692339.12	155045.76	2902920.17
N,N-dimethylarginine	5996914.51	8504257.42	7927743.97	7423033.10	7506723.10	8279724.58	11919867.15	10478755.76	45211.20	7005993.51
N,N^-Diphenylguanidine	10301365.00	6972946.02	11150888.02	2510610.79	5816430.35	5768123.99	6950819.04	2906075.46	74770.45	5801297.57
N-Nonanoylglycine	47992117.32	76337603.94	34338106.47	34118328.88	41541729.78	34994236.67	56415112.97	61314553.24	1298513.54	44811412.46
Nootkatone	1067656.61	1292228.22	1260236.02	1244209.06	1078294.49	3049412.31	1236545.69	1280171.82	1445745.20	1401216.05
Norophthalmic acid	4404878.69	5709608.42	5474745.49	5049785.43	5322052.74	6216014.88	8252514.31	5979857.70	59189.46	5062976.50
NP-000124	1260717.59	2433763.75	1459229.13	1295905.70	1050713.55	867503.43	1072205.12	1345660.39	140463.68	1323300.65
NP-000615	4562839.42	5788229.47	6281863.73	5915973.55	5339179.44	9306962.48	6033007.30	6059033.82	5413671.66	5824330.31
NP-000919	985109.83	1295564.80	570406.38	445913.78	572378.41	632494.87	992688.49	814202.00	95596.07	659162.34
NP-001445	8031475.64	15185578.98	9882336.40	15914721.22	13092543.68	13870210.86	18890785.11	14178321.64	106853.96	12623023.93
NP-002322	4051894.43	4290467.79	2788289.73	2127753.32	2789990.18	2379913.88	4571979.05	5404791.13	91969.94	3820092.28
NP-002855	4582434.74	4935805.21	1206159.47	1293959.31	4735259.05	4456118.19	1270126.73	1130820.94	707587.19	5845157.94
NP-003399	50624.37	58798.07	51857.82	3640399.15	64912.70	88794.99	52535.16	51881.60	51006.68	874226.87
NP-003459	1309475.71	2837754.59	2255112.15	1742443.46	2621623.86	2246070.03	1767896.22	4127906.31	784103.42	2026184.73
NP-003672	126491.94	115055.63	72817.57	8806268.62	84460.27	141731.51	61398.22	58874.86	44819.46	1843793.19
NP-005146	3198730.53	3510069.07	975954.16	878975.00	3455066.13	3267170.59	827228.82	849120.05	502275.25	2348936.67
NP-006862	96743.48	123950.37	123352.59	1924677.10	225033.47	278908.22	260657.40	243815.86	47989.75	442797.03
NP-008993	5199901.02	3582282.83	1821688.56	522845.75	2836884.84	2447929.94	3527698.51	1662429.66	41957.22	2530466.97
NP-011548	69811368.58	62612750.58	37561865.45	18116859.58	39087388.73	48913512.16	48452509.28	50993594.25	6469107.90	51295071.90
NP-014175	133113.48	195429.48	122002.22	2628870.53	173000.50	666314.33	157960.76	173072.00	105044.62	485779.24
NP-014287	7397907.29	6276194.27	4270832.67	2674674.38	3121906.55	4241858.07	5874968.28	7684623.46	321535.20	5614123.05
NP-018661	569010.03	1138186.99	626780.09	631895.34	530741.67	478487.92	838680.63	1045990.94	63816.21	689362.54
NP-018716	3134766.77	6024809.22	2684692.22	3375074.19	2957528.50	3786684.61	3245375.63	4874095.40	731200.60	3094513.76
NP-019360	205543.03	579755.56	403209.22	892474.78	453126.63	1062571.29	410287.19	1052565.59	94393.45	228182.82
NP-020214	11576759.98	14204654.36	3624399.42	3873806.93	12017727.34	14241809.03	3364391.13	4008001.74	2516987.30	8479957.35
NP-020521	10331841.58	9623667.79	8386744.97	11183632.50	4874822.40	11098628.68	10246195.83	14501439.90	958858.53	9591689.92
NP-021844	6749588.43	7675754.14	8044855.07	7920586.40	7038098.29	21392794.34	7672621.39	7858889.42	8864407.48	7821949.97
N-pentylpantothenamide	588459.01	1136909.75	336589.74	381886.72	509876.17	319977.32	612834.04	962745.70	21590.12	534418.75
N(tau)-Methyl-L-histidine	2679271.31	4482998.30	3980458.73	4031254.73	3325589.11	5610252.86	5157170.77	6906455.64	41107.34	3368855.70
N-(tert-Butoxycarbonyl)-L-leucine	2675013.98	4538009.29	1544573.30	1301805.85	1428067.21	1414799.13	3020789.67	2671208.51	112301.98	2003233.19
N-Tridecanoylglycine	1528632.35	2190490.51	1697289.67	1505449.11	1395496.16	2016266.47	3648033.69	2477160.22	188724.39	2817851.26
N-Undecanoylglycine	23325859.41	28441841.97	35948048.40	32237237.73	22171234.65	36575742.87	122421490.37	52216468.95	4464690.35	39370434.25
nylon cyclic dimer	957012.52	1123455.91	1274953.15	1041454.35	952713.44	3384720.39	1076229.29	1076341.79	1306626.22	1186997.45
octadec-9-ynoic acid	61217840.84	57739084.17	41960037.23	26300358.87	17265054.22	23942827.94	40727674.93	80065219.78	433188.67	43450561.16
Octodrine	2146865.03	2611569.61	2050113.19	1867030.13	1940727.16	1763073.98	1590530.06	2365789.44	952870.72	1154673.08
ON1225000	455430.98	1086114.17	659435.86	1144511.13	885410.82	1393451.08	702812.14	1601239.42	166306.47	434709.10
Orcinol	662329.20	2690349.92	1575960.92	2002139.49	1941359.62	2742017.00	1408928.08	4265917.93	283234.94	579621.32
ostruthin	48684.05	65160.03	41131.87	1413808.75	82323.58	108185.32	117103.96	101457.65	35310.73	283162.12
Oxepanone	10150635.98	7861388.54	8627123.14	5282698.20	8781564.91	6586483.61	7316866.47	4596201.52	688346.30	11466486.83
Palmitic Acid	1873941.79	2319291.43	2238057.70	2042259.25	2193199.55	6572690.15	2343775.25	2117656.21	2193803.82	2358980.45
Palmitoleic acid	1362084.72	1868906.30	449128.94	673706.01	1304520.95	2146090.25	705872.26	973871.82	259737.20	1072937.19
Panthenol	5613666.18	6545924.89	6976840.11	6574208.40	7422435.83	13880733.79	6456193.99	6539702.77	13210210.34	7100441.13
Panthenyl ethyl ether	382485.72	533715.84	482234.00	496018.57	468233.12	1146159.52	538335.01	528684.70	519401.12	15887458.05
PEG-4	21670182.07	44110355.09	36203715.85	33328334.59	26962536.12	49884476.83	24030140.57	34116367.62	12352336.19	29852408.56
PEG n10	821046.02	821036.22	696089.86	789105.39	615558.37	3054008.68	1028722.08	817902.37	175032.56	28370612.60
PEG n11	553062.77	543600.49	489055.60	564278.05	380923.78	2008552.47	725284.03	556355.67	119649.25	17378997.57
PEG n12	369605.41	377919.44	319148.37	402012.31	250937.24	1194158.05	530828.04	380325.85	80234.36	10657658.38
PEG n13	236119.37	238730.68	196589.89	271183.67	146171.44	650149.99	328803.36	229582.26	49964.14	4755271.21
PEG n5	8903031.59	13703149.12	10193025.01	11451040.01	8964789.69	42968797.23	8674694.94	14134039.98	3391416.96	11608381.45
PEG n6	6614118.96	8115473.06	6161008.83	5729462.45	5899017.44	46019982.08	5757498.02	7775202.92	2341345.05	48409791.23
PEG n7	3968045.47	5310666.47	3237795.67	3792372.13	3408296.79	15281930.59	4374909.36	4691998.36	1359064.53	87046300.66
PEG n8	74123642.49	163411173.87	101182816.34	118998241.52	121404321.75	153127726.13	146524764.23	187619375.09	706811.84	141345693.51
PENICILLIC ACID	167156.51	492218.49	403598.54	844791.89	394993.23	979258.39	421750.20	893906.84	198581.83	173181.38
Pentahomoserine	566720985.33	788906170.65	619356651.06	813429257.36	691397832.14	651437081.31	684123603.33	565905393.43	761935.31	643152664.74
Phenol, 2-(3,7-dimethylocta-2,6-dienyl)-	343688.43	395809.65	408488.73	405373.65	375074.56	1209531.47	338268.44	416640.86	578337.68	400979.03
Phenylacetylglycine	16565812.10	4229657.90	14456768.01	3450891.21	15604569.37	3620679.19	43983015.17	8137020.07	69840.47	11784764.85
Phenylisocyanate	2239524.36	2332025.66	1785170.35	1989438.65	2554527.51	2527710.29	1729577.34	1732932.29	29622.60	1443082.59
p-Hydroxybenzalacetone	8552781.27	9513784.56	9413029.06	8691125.91	8903808.51	13607269.13	9880306.20	9671974.59	11538212.04	10061180.01
Pinocembrin	88830.23	440133.60	50598.75	748858.55	172957.04	189978.35	64784.75	140440.75	53595.70	110249.51
Pipecolic acid	360096843.35	510640009.69	469862424.94	553475913.33	385744514.68	527961586.19	483674008.03	519366741.92	3288743.44	436351037.38
piperidinecarboxylic acid	2717598.62	1137065.47	2092217.10	1743220.05	1420505.57	1160324.58	1905522.93	1575801.96	1629096.79	2029467.90
Piperonylonitrile	1357005.54	2332487.74	1580002.13	1860107.54	1704194.47	1801813.90	3440599.06	3710290.52	58067.31	2783346.38
Pivagabine	357016186.20	545155972.80	249783380.79	240478989.92	279639044.38	236353334.31	383160469.95	416677658.04	9245416.08	331165694.90
p-menth-3-ene	249029.80	259939.65	238265.30	250317.39	228671.32	795924.42	266595.02	277677.38	286572.61	292229.88
(+)-podocarpic acid	33920.65	160920.96	149655.98	4747617.49	147238.78	226536.63	280442.18	183268.63	105503.53	712119.06
PPG n5	1099438.16	2092785.66	1633101.76	1469991.24	1246990.72	1929404.49	1408169.79	3877454.17	410157.74	1010752.32
PPG n6	564388.26	728053.15	405830.56	408660.31	304088.26	885819.18	352037.96	3401197.57	140496.37	413741.01
Precocene II	6588781.50	8180181.36	7895757.17	7698993.53	7100721.91	22783966.04	7409864.53	7328332.18	9503263.61	8143282.64
Pregabalin	7965533.54	5032466.35	3620461.65	2258036.35	3735774.27	2604424.29	3998838.68	5327467.72	88044.28	5025500.08
pro-asn	1790463.20	570694.31	608060.12	446544.68	1651363.04	16381880.51	436088.56	4146539.26	73966.15	439981.37
Prolylleucine	7609499.72	31568304.65	65805019.82	37016079.09	31619646.80	16983994.16	40854982.91	16810325.77	760509.90	3086471.19
Pseudoconhydrine	1004761.23	863992.41	825769.12	686126.36	674268.27	775231.17	807387.59	1679662.73	662146.83	1132747.50
Pseudomonas quinolone signal	1405044.49	1933864.07	1315870.03	1701406.71	1281888.48	1690234.84	1480325.49	1547440.36	68279.66	178299.24
Pumiliotoxin 251D	4495434.39	5508104.76	3521717.67	1814161.00	1889609.08	2227783.42	5334394.37	8031331.45	46081.20	4001142.89
Pyridoxamine	48944008.17	89889881.82	73524107.52	75760277.01	75543181.21	76200226.17	88688535.49	97493520.11	215528.55	86468361.93
Pyrone	6417612.88	10239306.43	8276436.02	9131586.15	9221138.62	7739860.35	10843625.47	11129621.38	110629.70	8819366.45
QS4476500	124362264.86	120558040.10	116493168.22	114223262.43	158880420.56	198719949.71	183760443.51	183714673.96	231394.04	154874385.66
(R)-3-Hydroxy myristic acid	5303039.80	7600920.72	5573573.74	5853398.82	6229522.65	12488120.11	5162392.89	7715409.78	4193465.52	8033821.72
(R)-4^^-methoxydalbergione	183597.99	679565.66	429650.21	321572.63	266460.81	238427.69	415519.85	389160.28	49512.91	270180.23
Ricinoleic Acid	1558585.80	2170847.30	1277061.69	783239.18	1569567.77	1436100.21	1488546.95	1348731.96	146190.47	1249145.88
Salidroside	2052397.29	2509097.89	1311781.61	1294705.97	2438718.56	2593618.10	1321768.47	1378940.90	182526.80	1926138.36
(S)-(+)-allantoin	10582419.20	13315835.26	12519185.31	10079735.80	12164724.10	11220311.78	17631736.83	15245590.86	56069.55	12779979.37
S-Allyl-L-cysteine	2660801.76	3569217.13	4388927.95	6397772.73	2762367.32	5293952.57	8030351.83	10999896.72	103447.53	5761960.87
Sebacic acid	3569566.12	6951778.07	3535914.72	3386320.18	3802985.01	4814386.63	4765734.11	6979101.28	1233002.78	4638367.13
Serotonin	4196981.93	7771835.28	2144524.13	4772184.64	5967128.06	7697638.52	5850302.24	6284162.70	56699.67	6271723.02
Shogaol	237004.08	327750.48	267812.45	6363707.57	318056.39	297496.79	678639.37	725331.69	77151.37	1619466.34
SL7524000	10746010.21	14902839.25	5749739.90	4178903.98	6591288.09	5138292.91	11780650.40	7907872.57	412542.38	7886559.21
Sorbic acid	11605108.61	11613941.39	4046162.22	4801471.09	12828506.14	14058328.79	4117241.59	4786197.25	1468117.67	7559930.40
Styrene	7262962.93	7209740.19	4472107.71	4438375.74	7092444.97	8532123.97	4393493.74	4281120.88	1080684.37	5999708.89
Succinimide	120534782.09	8554100.42	26218686.86	29361572.56	11811759.77	47000644.69	27658405.01	79656261.00	40053103.94	51044772.31
Sulcatol	37598019.72	43462105.30	10636570.82	9640020.60	34535637.87	37552098.65	10226559.97	9823195.78	8050997.05	39178298.16
Tasimelteon	3029936.28	5184096.32	3409586.24	3897218.75	3081006.72	3474258.58	3945419.55	4073174.86	63603.09	206704.95
Taurochenodeoxycholic acid	1201612.62	3574965.20	2460490.13	2178935.06	1965445.34	1764769.72	1459550.59	1611488.22	45210.57	2555209.10
Taurocholic acid	798996.62	3624516.04	266960.52	336207.43	2913652.46	924870.26	452215.39	1595517.80	68676.71	1685284.19
testololactone	51676.83	50589.80	42256.77	1132088.85	43845.54	82149.00	45269.15	46101.36	43992.38	219658.84
Testosterone	268448.34	282230.82	265393.54	266021.00	1203161.87	1122584.54	1118593.65	848157.73	40474.58	662490.34
Tetraacetylethylenediamine	9193294.05	10392958.07	8433816.69	7560079.51	10187452.75	12822687.68	16163731.93	12908702.54	68538.87	9340191.73
Tetramethylurea	529760.51	994480.94	418033.67	664820.86	365129.97	810884.67	787032.18	1167354.79	106448.15	67491061.32
Tetranor-12(S)-HETE	1528415.20	1653915.28	1131803.19	1516236.26	1713835.39	2566887.42	2239066.03	2438327.48	409712.49	1855711.24
Texanol	382102.97	579040.78	537689.54	490509.58	444536.51	1258208.95	588747.71	598578.15	560464.11	719336.45
Thiorphan	285908.43	283754.93	1179612.88	739248.03	644127.45	421426.81	658170.62	160620.66	24989.59	534167.97
THREO-SPHINGOSINE, (-)-	3256519.00	3333171.63	2264708.97	2683924.73	1880819.74	1951680.87	2507212.15	3338831.57	681337.91	2705053.23
Thymidine	9733587.80	15333191.13	16348130.58	17407120.52	12042115.73	16065688.99	16414103.29	17198442.50	109094.89	13756678.21
Thymine	20952931.48	28707928.32	29698059.47	33265609.55	24251137.71	28386203.05	31072814.63	33025123.10	49037.45	25539559.68
TO0127900	1160798.13	1583620.99	678734.30	602897.69	707127.20	586836.63	1184819.46	1748612.98	48839.71	962965.09
Tranexamic acid	981440.81	373713.17	367663.88	249123.46	278779.10	338792.99	340713.56	343945.85	368948.56	2025591.49
Traumatic Acid	3106378.91	7548355.07	3336201.94	5565074.37	4262870.17	4206268.41	2631017.83	5748909.44	776118.62	4646967.02
Traumatin	42084483.72	48434224.07	9855176.90	10051453.76	43677990.67	48874693.37	9524759.79	9887704.62	7891237.96	28150778.16
Triethylamine	1917273.90	8544345.26	15031227.56	6875272.62	8806957.73	2403644.59	33219519.57	67763769.90	433329.44	1236667.12

10-Undecenoic acid

3516335.93

3915713.26

3813594.06

4029955.72

3372994.15

12841335.14

3726416.82

4116626.42

4935323.20

5356438.99

1,1,6-Trimethyl-1,2-dihydronaphthalene

747862.72

829854.09

897438.38

958346.88

773306.64

2712874.38

2938638.75

880878.87

1016867.34

863893.59

11-Aminoundecanoic acid

1256218.37

1695678.98

1595236.11

1641322.83

691929.38

664919.37

904717.71

6431014.85

46625.59

1777426.28

11-Nitro-1-undecene

6915815.36

7305258.51

9857404.04

8677860.33

6859914.96

16407003.54

13092451.88

11793086.01

8324330.16

8733640.92

11-Nor-9-carboxy-thc

119667.71

207832.30

781577.89

721846.12

145714.22

172532.76

706503.49

736217.83

39016.81

384538.37

1,2-dihydroxyheptadec-16-yn-4-yl acetate

1011143.33

2183723.94

1102539.85

1506053.97

1132808.26

1257339.22

1651394.17

1587283.72

96666.42

1278976.10

1-[2-Methyl-3-(methylthio)allyl]cyclohex-2-enol

1291264.49

1426121.13

1464838.14

1391257.16

1338863.04

3935315.12

1465828.37

1418910.92

1697693.42

1482172.04

1,3-di-o-Tolylguanidine

23713.41

1156329.87

24645.86

24629.15

32442.19

49850.48

26108.87

28659.62

25343.96

81276.11

1-(3-Furyl)-1,4-pentanediol

3184659.75

5433934.94

4033912.11

3757996.69

4440031.10

3781824.88

3833825.09

4513249.96

3441689.74

8570867.60

1-(3-Hydroxypropanoyl)-1,3,6,8-tetramethyl-1,2,4a,5,6,7,8,8a...

4154008.07

6689348.24

4011115.93

8103779.77

6009596.84

6354464.90

7944902.87

6506153.25

46223.68

6824511.03

1,4a-Dimethyl-6-methylene-5-[2-(2-oxo-2,5-dihydro-3-furanyl)...

89084.91

102709.64

100363.68

2769042.37

132152.41

143613.94

214190.35

131812.69

46560.38

254850.20

1,4a-dimethyl-9-oxo-7-(propan-2-yl)-1,2,3,4,4a,9,10,10a-octa...

542978.74

2446460.67

541509.95

22345746.40

1114543.34

3841223.90

840540.74

2251425.68

128284.59

5713639.10

1-[5-(4-Hydroxy-2-butanyl)-2-methyltetrahydro-2-furanyl]-4-m...

2031151.69

3767378.13

1474414.77

1898025.52

2853037.79

4523076.15

1341186.73

1887140.83

444689.77

1588335.28

1-(5-Acetyl-2-hydroxyphenyl)-3-methyl-1-butanone

3275892.85

4070123.54

4788557.45

4140527.54

4265675.69

10013597.09

4145601.85

3345858.06

3557049.92

3857689.14

1-[5-Nitro-2-(1-pyrrolidinyl)benzyl]-1H-imidazole

20569.63

40693.92

51371.55

38314.24

40238.41

32687.60

33098.85

61878.49

41913.23

1556058.54

16-Heptadecyne-1,2,4-triol

437282.61

715314.88

356843.94

331791.69

552675.25

1120268.48

352587.50

378464.92

310805.77

523423.75

1,6-Hexanediol diacrylate

1021789.69

1212615.36

1221646.06

1263956.51

1047206.49

3777163.27

1196270.70

1241959.36

1418742.52

1207903.51

17a-Methyl-androstan-3-hydroxyimine-17ß-ol

2304219.31

6384228.83

6118300.84

1100316.01

1648239.69

380080.33

2705976.59

6477010.84

122950.66

1403702.90

1,7-Dihydroxy-12-methyl-13-vinyl-2,10-dioxatetracyclo[5.4.1....

10084976.65

11888688.64

6515851.10

6405339.71

11194866.40

12423319.06

6556696.65

6317320.94

1455872.23

8774995.53

17-(Hydroxymethyl)-12-methyl-8-oxapentacyclo[14.2.1.0~1,13~....

126898.28

185455.11

118719.37

5125010.02

286819.63

400357.85

303172.22

307891.42

43074.72

1097278.11

1-arachidonoyl-sn-glycero-3-phosphoethanolamine

46963310.78

61539669.68

69029495.89

68953482.18

59859133.77

71036400.55

88195262.39

62632005.68

155961.74

78016404.13

(1E)-1-(4-Methoxyphenyl)-4-methyl-1,4-pentadien-3-one

833198.51

963450.51

860775.51

905084.94

970043.51

1826395.18

869616.06

957116.06

674874.76

847572.19

1-Isopropenyl-3-isopropylbenzene

327863.06

545402.79

313617.23

429390.31

310470.57

387895.69

511446.02

525138.22

57260.10

4448957.02

1-linoleoyl-sn-glycero-3-phosphoethanolamine

49052272.09

71425665.20

68487404.72

72450771.93

62854457.31

85659254.14

79709526.76

65144104.02

128317.43

78450476.17

1-Methyl-1-benzylidene-acetone

1314327.80

1469393.84

1286036.09

1331607.99

1508370.24

2818080.64

1329373.23

1388070.57

1029012.89

1330518.73

1-Methylimidazoleacetic acid

6388216.89

285875327.99

17726913.29

30898873.83

20641714.85

13722959.73

33481270.04

62247434.02

2073435.28

2999755.85

(±)-1-Octen-3-ol

1832429.97

2272627.49

2139380.76

2110527.04

2033614.38

4287904.79

2193049.61

2238634.86

2431112.71

2620336.19

1-Pentofuranosyl-2,4(1H,3H)-pyrimidinedione

4877847.19

11674784.68

5249542.49

8419407.27

5549392.92

8246000.51

6687078.54

9520113.93

145321.42

5857190.89

1-Piperideine

2258041.21

3464324.97

2438776.56

3410913.13

2817531.77

3350918.30

3392010.41

3859919.55

1575783.98

3313847.35

(1R,4aS)-7-(2-Hydroxypropan-2-yl)-1,4a-dimethyl-9-oxo-3,4,10...

47088.65

69476.32

48527.62

879263.64

57959.01

105926.60

63967.66

65629.44

37928.94

225917.19

(1S)-1,5-Anhydro-1-benzyl-D-galactitol

167557.18

208799.20

170763.11

182534.44

149180.35

430758.62

179449.86

189329.43

193965.74

211202.88

(1S)-1-Carboxy-2-(1H-imidazol-4-yl)-N,N,N-trimethylethanamin...

3837906.42

3935215.87

2264884.31

4603045.55

3345849.80

6107861.29

2622664.83

5710052.15

1610722.60

19788416.23

(1S,3R,4S)-3,4-Dihydroxycyclohexanecarboxylic acid

1881581.48

7283644.53

4107695.90

5387350.62

5126097.84

7792154.33

3690781.21

9766627.75

385632.20

1953796.03

(1S,4S,5R,9R,13S)-5,9-dimethyl-14-methylidenetetracyclo[11.2...

187011.88

353485.93

422060.60

1360964.17

693974.44

981087.83

2886489.04

3128585.09

51483.54

1108477.11

2,2,6,6-Tetramethyl-1-piperidinol (TEMPO)

4952093.27

6855601.48

6427973.06

6068617.70

5936737.90

8043015.60

6312467.43

6529338.91

5509110.20

6452894.11

2-(2E)-2-Octen-1-ylcyclopentanone

991507.83

946417.28

983503.91

914696.58

880444.51

2701228.48

861832.33

944956.22

1542967.51

1089779.64

2-(2-Hydroxy-2-propanyl)-4-methoxy-7-methyl-2,3,6,7-tetrahyd...

477140.73

2027680.15

946584.78

2140871.73

825793.16

1443629.94

642486.19

1340948.83

51282.15

1255695.47

2-{[(2S)-1-Methoxy-1-oxo-2-hexanyl]amino}-2-oxoethanediazoni...

5514312.18

6889491.28

3607665.90

3102486.33

2782808.11

3136638.93

5247063.32

6330119.27

1864971.31

4768769.14

2-[(3,3-Dimethyl-2-oxiranyl)methyl]-4-(3-methyl-2-buten-1-yl...

880866.98

550961.45

429556.86

236009.98

337831.67

517995.41

254712.49

281198.13

103985.36

292161.45

2-(3-Phenylpropyl)tetrahydrofuran

1331072.71

1485166.60

569387.14

596676.73

1208492.54

1728129.30

583638.67

585152.12

485224.18

1228622.16

2-[4-(3-Hydroxypropyl)-2-methoxyphenoxy]-1,3-propanediol

3067272.90

6679613.22

5073507.30

5436152.09

6356932.48

9394513.69

4730592.98

7558007.17

1560930.77

2812143.41

2444643WXK

6856163.34

8820341.66

8781358.50

8435943.93

8136375.81

19262046.96

9450609.67

8815071.98

9396540.55

10868563.73

2,4,6-Octatriyn-1-ol

4492105.68

4683038.58

1623477.49

1701352.76

4861111.54

4540409.28

1552370.03

1506606.28

1440145.24

3540326.22

2,4,9a-Trimethoxy-3,4a,5-trimethyl-2,4,4a,5,6,7,8,8a,9,9a-de...

37265423.56

70388711.97

44302712.04

80016180.00

54613879.54

62602471.77

77498356.70

65051926.86

428070.71

59161769.74

2,4-Dimethyladipic acid

4553734.27

8015996.55

3842017.56

3804969.65

4271758.11

4264142.92

5868241.93

8832494.12

649768.58

4290362.62

2,5-Dimethyl-4-ethoxy-3(2H)-furanone

2616125.38

4542013.73

2131552.88

2303882.35

2373443.50

2576591.42

3326754.06

4886512.34

494738.35

2519630.75

2,5-Furandicarboxylic acid

19397261.47

15421604.23

15496017.83

11165293.83

24143016.29

17234032.07

34251517.33

20338838.22

128756.53

13340759.90

2-Acetyl-3,5-dimethylfuran

41137442.09

56826682.75

24981501.11

19302108.53

25045754.34

21360433.70

45704616.35

39867336.23

185439.76

34706966.23

2-Amino-3-methoxybenzoic acid

12509210.08

24688783.41

19431213.96

20630024.34

20397947.06

17398181.50

21172819.34

16714289.84

121394.99

12728794.80

2-Aminonicotinic acid

1855286.06

4379417.40

4924231.28

1803475.13

3281362.25

3021424.15

1736266.33

8411878.22

1367763.66

1753877.73

2-Butyl-6-methoxyphenol

2713887.12

3341011.71

3573036.09

3261676.86

4724534.97

4205611.65

4076621.03

3989215.13

1913934.54

2994709.40

2-[(Carboxymethyl)amino]-7-octenoic acid

1389011.76

1014697.49

1155495.85

446566.61

314598.73

608667.53

779232.16

1589011.07

74098.84

539072.62

2-Decylfuran

4363753.99

5285633.24

4884083.15

5145047.34

4270538.62

8821575.43

5697246.82

5517352.49

4720674.54

6330111.63

2^-Deoxycytidine

1611668.55

487865.37

14060804.59

3187192.78

65698331.20

2129596.59

961066.74

959302.89

317522.32

150999414.47

2^-Deoxycytosine

15305615.10

17220360.56

17047154.41

36679149.22

14187783.98

16866131.66

22924265.79

15237798.39

14133288.44

10669790.73

2-deoxyglucose

4047010.13

4361839.54

2444060.70

2433167.66

4191718.96

4187211.81

2422815.54

2379600.85

477367.38

3148124.35

2-(Diethylamino)ethanol

594481.43

798298.64

1312575.44

995445.27

857568.89

671383.58

714325.75

831329.95

34984.72

5943116.32

(2-(Dimethoxymethyl)-1-heptenyl)benzene

482432.66

607151.01

476203.86

508594.54

641155.96

1610999.66

750651.88

719194.52

354300.31

597948.46

2-Dimethylamino-5,6-dimethyl-4-hydroxypyrimidine

14364595.24

10371652.59

8522423.08

21899442.37

9348048.87

11477150.07

10806453.37

5820367.82

13739212.86

10538865.92

(2E)-2-Heptenoic acid

1604401.00

2415690.91

903486.52

1186499.22

2002954.14

2480346.42

889594.44

990421.95

292451.56

947515.80

(2E)-2-Tetradecenal

560366.22

1509916.47

568548.74

729394.25

911111.13

1584316.91

505033.53

802685.01

186077.85

515345.16

(2E)-3-(3-Hydroxyphenyl)acrylaldehyde

3084162107.90

4316021384.60

3667473325.60

4141387443.30

3544816436.20

4195713060.00

4310204700.10

4589703976.60

1096807.23

3695402742.50

(2E,6E)-2,6-Octadienal

3179197.28

5359862.17

2609529.44

3175459.21

3015277.32

2988549.58

3345543.07

4633151.42

371014.61

2905211.95

(2E,6Z)-Nona-2,6-dienal

1783391.24

3304456.22

2636160.13

3998245.38

1301854.13

2078122.34

2029248.94

8505878.76

309035.50

3706895.96

2-Hydroxy-4,5^,8a^-trimethyl-1^-oxo-4-vinyloctahydro-1^H-spi...

149439.07

194386.78

149610.88

1862864.89

147154.78

243553.29

169576.27

169311.36

76861.64

521992.45

2-Hydroxybenzothiazole

4131381.08

5372179.49

5557817.91

4903684.43

5216915.55

4503079.97

5600795.16

5336484.21

1373046.13

1055712.29

2-MeO-E1

239733.43

416416.12

211266.00

3769034.01

668743.45

785998.07

691906.09

762147.57

51745.95

1151827.28

2-Methoxy-7,7,8b-trimethyloctahydrocyclopropa[4,5]indeno[5,6...

805554.24

1312965.92

412145.31

455622.49

962622.43

1560456.85

385983.50

446137.42

180220.30

673200.14

2-methyl-4-ethyl-5-propyloxazole

1789039.85

2432374.31

904989.64

753390.86

878440.78

808061.11

1764135.53

1745414.59

25014.57

1283584.23

2-Methylthiazolidine

5074912.84

9012874.33

8226379.47

12096380.59

7413404.35

13529229.97

12406606.29

14048166.09

27936.26

6761294.73

2-Oxobutyric acid

27413181.15

17484356.42

40203252.10

24413482.85

23751437.28

10822963.70

47979609.68

22857144.22

302160.01

35626168.12

2-Pentyl-3-phenyl-2-oxiranecarboxylic acid

235847.31

239331.42

381333.23

432131.26

227194.40

1657285.28

377473.52

392268.20

394849.26

303763.19

2-phenyl-2,4,6,7-tetrahydrothiino[4,3-c]pyrazol-3-ol

756192.04

1161919.17

821402.05

733449.74

895250.12

1084282.80

824247.94

974513.66

103417.49

568370.82

2-Phenylethyl D-glucopyranoside

19595409.14

23065637.49

12062470.13

11943977.62

21633739.41

24387022.89

12261823.95

12075921.89

2900285.12

17209074.06

2-Propionyl-1,4,5,6-tetrahydropyridine

4977092.96

7429618.34

1842350.69

1864172.65

4267770.54

5545962.14

1809114.68

1845030.53

1676775.81

8088644.68

2-Propylfuran

2729715.61

3818776.96

924653.59

1313126.54

3180566.12

3706459.14

999517.89

1688049.36

513139.86

4889246.99

(2R)-1-{[(2-Aminoethoxy)(hydroxy)phosphoryl]oxy}-3-hydroxy-2...

11657085.64

19745427.24

11711647.44

17492000.13

15879123.01

25046987.29

18275174.66

17964860.56

80990.70

18667643.66

(2R)-1-{[(2-Aminoethoxy)(hydroxy)phosphoryl]oxy}-3-hydroxy-2...

3530431.37

4946179.73

3786036.04

4752218.06

4115276.52

5440611.04

5637591.08

4750830.67

117730.20

5174957.88

(2R)-3-{[(2-Aminoethoxy)(hydroxy)phosphoryl]oxy}-2-hydroxypr...

2069689.02

3338761.20

2355943.37

3234134.64

2636720.63

3800120.43

2931296.21

3278794.49

54141.74

3245045.98

(2R,3S)-3-Hydroxy-8-methyl-8-azabicyclo[3.2.1]octane-2-carbo...

2217482.46

2622264.51

381762.62

380299.54

2226614.74

2531328.69

386933.10

384020.66

304802.10

1435701.16

(2R,5R,6R)-3-[(1E,3E)-hepta-1,3-dien-1-yl]-5,6-dihydroxy-2-(...

12185334.70

14700104.05

5834322.50

5619199.12

12965727.83

14506490.60

5614957.33

5607391.99

2397293.71

9942173.37

(2S)-2,3-Dihydroxypropyl pentadecanoate

4008055.73

6653155.15

3086032.95

2235059.73

3986175.35

2838309.74

4460140.41

4660756.79

297283.08

3335861.30

(2S)-2-Amino-8-oxodecanoic acid

1983108.23

1557079.13

1403559.26

558315.08

1020835.13

904640.08

1618883.46

1574541.75

76313.70

1076963.67

(2S)-4-Methyl-2-({[(3S,4S,5R)-2,3,4-trihydroxy-5-(hydroxymet...

3935737.55

5022210.86

3945754.86

4793039.36

5542379.98

7208481.15

5487354.45

4607642.10

64410.32

293924.26

(2S,8R)-2-Amino-8-hydroxydecanoic acid

738979.33

877444.31

1145117.70

641020.66

359569.18

340996.23

649289.12

1649814.60

28635.58

638183.52

2S-Amino-tridecanoic acid

295167.63

671784.38

467397.77

588615.23

193664.10

369017.83

302147.05

1296567.61

52713.96

533881.67

2-(tert-butyl)-1,3-thiazolane-4-carboxylic acid

831200.18

1214014.21

1442044.27

1683257.83

880929.90

1472081.35

2477274.61

2756434.75

59930.43

1600681.04

(2Z,12Z)-2,12-Tetradecadiene-4,6,8,10-tetrayne

21991977.32

24695097.72

25087376.93

24626643.85

23327982.38

24360557.62

26325554.24

24359826.76

45581.65

22801321.95

(2Z)-2-(3-Hydroxybenzylidene)heptanal

3196464.67

5967431.13

510256.27

535547.56

5227380.55

3956360.63

493514.33

463366.48

455804.68

3615203.29

(2Z)-2-Benzylidene-3-hydroxyheptanoic acid

311234.40

484954.39

459457.52

409246.01

431776.57

1178357.13

452891.12

516484.16

406179.11

514387.75

(2Z)-2-Benzylidenehexanal

2724013.60

2884371.27

3168599.80

3077032.11

2720625.67

8271858.02

2757430.49

3082611.32

3999400.54

3052476.04

(2Z)-2-Nonenoic acid

3980005.18

7518841.06

5415442.35

8049362.84

3287958.80

5025074.42

4240109.09

17327241.39

497309.03

7207135.57

(2Z)-3,7-Dimethyl-2,6-octadien-1-yl 3-oxobutanoate

1637223.91

1290884.97

2503817.35

713046.38

1690794.47

968827.76

1072874.44

544843.23

137616.24

1121178.56

(2Z,4E)-2,4-Hexadienedial

5463012.07

8026202.22

7019768.72

7272267.13

6253119.96

6262933.45

6956285.49

7575230.85

112052.88

662897.72

(2Z)-4-Methyl-2-phenyl-2-pentenal

351392.44

405001.37

438033.20

383948.36

404322.58

1066206.49

389835.54

414833.02

485351.45

418539.90

3-[(1S)-2-Cyclohexen-1-yl]-L-alanine

1775741.66

2967366.38

177620.97

174457.16

1736819.02

2065831.14

259993.65

282059.48

59968.42

1250567.79

3-{2-[(1R,4aS,5R,6R,8aS)-6-hydroxy-5-(hydroxymethyl)-5,8a-di...

5400955.58

10615408.68

6396317.27

11993191.86

7303680.72

8885416.15

10955236.28

9146836.43

36770.80

8781786.18

{3-[(3,3-Dimethyl-2-oxiranyl)methyl]-4,6-dihydroxy-2-methoxy...

2201026.41

2342842.54

689639.10

655895.34

2282556.92

2738399.24

691374.57

710663.49

292083.36

1765361.31

3,4-dehydrothiomorpholine-3-carboxylic acid

31091244.23

41843345.09

29119624.62

13928080.64

230547409.30

68912475.05

25984721.41

34336464.34

52277.56

5098371.94

3,4-Didehydroretinoic acid

82641.12

138556.08

80984.84

1796255.56

112970.68

202484.93

145996.73

186168.76

74787.19

371086.12

3,4-Dihydroxy-5-(3-methyl-2-buten-1-yl)-2-(4-methylpentanoyl...

268601.43

180647.70

357774.18

181237.12

305874.10

1262188.62

357771.28

279201.14

545937.59

253907.41

3,4-Dimethyl-5-pentyl-2-furanpropanoic acid

1482853.54

2170783.28

1370507.13

1849604.47

1235392.86

1408570.98

1210919.31

1426180.17

221104.61

1207389.94

3,4-Methylenesebacic acid

2484585.79

4213763.63

3339835.16

4017342.54

3937350.79

6070770.29

3375146.30

3635918.94

1915572.57

3783157.34

3,5-di-tert-Butyl-4-hydroxybenzaldehyde

22751848.78

29253937.99

28800715.03

28382998.32

23606821.93

47003103.47

25869263.27

29393681.08

17966723.81

23122942.57

3-(5-Hydroxy-2,2-dimethyl-2H-chromen-6-yl)-1-phenyl-1-propan...

1855128.25

1953014.29

140941.73

150484.17

1751995.94

2424920.96

126928.73

177870.03

55258.42

1121875.83

3,6,9-Trimethyl-2,7-dioxo-2,3,3a,4,5,7,9a,9b-octahydroazulen...

143440.94

154859.50

95392.90

761052.04

117405.26

207321.11

107191.69

116861.73

62793.35

178689.17

3,6-dibenzyl-1,2-dihydro-1,2,4,5-tetraazine

1674168.63

1284915.31

875316.60

304769.87

869244.59

1122959.26

311218.08

538664.10

91157.11

861663.74

3,8,9-trihydroxy-10-propyl-3,4,5,8,9,10-hexahydro-2H-oxecin-...

4195586.91

5485749.41

9569370.39

4392714.41

4643086.31

1878318.24

2076216.38

3540053.88

987165.95

2757443.52

3-Acetyl-6-hydroxy-4a,5-dimethyl-4a,5,6,7,8,8a-hexahydro-2(1...

7232784.81

8732264.78

8697591.62

8204012.58

7864668.19

23300122.42

8163837.45

8468424.29

9544349.53

8909964.42

3-Allylcyclohexene

2261052.60

3093436.08

328427.24

429454.68

1944404.30

2447038.23

419687.38

411388.42

231392.49

1463203.84

3-Amino-2-naphthoic acid

1259265.50

1789064.32

1639853.20

1896675.03

811025.55

941027.33

882088.91

891252.52

33132.64

1231767.48

3-amino-2-phenyl-2H-pyrazolo[4,3-c]pyridine-4,6-diol

1173366.78

1245068.03

2344099.17

2455663.62

1143564.45

1564509.54

2303736.14

2419347.02

51503.52

1609081.24

3beta,21-Dihydroxy-4,4,14-trimethyl-5alpha-pregn-8-en-20-one

2763841.07

4806429.92

10560453.13

9917253.60

3938494.25

4546685.21

5031925.38

5461759.04

107644.11

8611963.16

3b-Hydroxy-5-cholenoic acid

2890268.67

5536186.62

19009193.93

16393462.28

17370967.25

10348806.42

2690136.84

3662959.81

104190.70

9517172.06

3-Dimethylallyl-4-hydroxymandelic acid

1770709.61

2012986.98

1749484.50

1669214.30

1907115.74

5239731.48

1687435.93

1652041.87

2254398.13

2010179.93

(3E)-3-propylidenephthalide

2100874.95

2296266.44

2292290.79

2177538.73

2184034.25

4243953.58

2156535.73

2164807.49

2667866.60

2509826.01

(3E)-4-(4-Hydroxy-2,6,6-trimethyl-1-cyclohexen-1-yl)-3-buten...

4498812.03

5633275.73

3087777.58

3010772.72

4706354.83

5824254.66

3192862.05

3296130.88

4215328.45

4752161.43

3-Hydroxyanthranilic acid

5846156.51

5964907.68

6107462.54

5984613.23

7658662.89

8606929.11

9320919.90

8823714.48

58047.51

6850474.27

3-Hydroxynonanoic acid

581499.79

1195336.69

861095.53

1272220.32

494207.89

774293.02

663982.37

2900520.07

65885.04

1095271.59

3-Hydroxytetradecanedioic acid

2468936.72

1758843.30

2924545.16

942325.83

2099900.70

1171156.43

1647873.75

1014513.26

49913.36

1684736.94

3-Hydroxytridecanoic acid

6766696.77

9592869.46

3381246.21

3269361.61

7063635.47

7941466.34

3269803.07

3471418.13

3086779.85

12492044.50

3-Indoleacetamide

10396228.38

7884122.73

7427216.57

8465797.62

9334720.97

9822127.30

8093908.87

8886194.37

103146.15

7209817.50

3-Indoleacetonitrile

6082040.74

6138786.12

5435755.92

5682738.36

6282199.21

6252285.41

6043572.87

6620665.79

56780.30

5349508.75

3-Methoxycinnamic acid

315528.09

329883.14

340125.98

325215.90

288273.56

806800.15

336660.51

350438.56

473836.00

329083.05

3-Methylbutanoic acid

3282447.15

4252406.12

2179408.56

2125448.34

3041185.89

3592525.58

2136355.11

2171818.90

2105321.29

6168183.19

3-Oxocholic acid

193900.79

288586.75

1747657.41

1455486.38

924768.92

607248.87

213953.57

275414.21

35773.39

626692.45

3-oxoindane-1-carboxylic acid

8956240.09

10042895.51

10112257.20

9885373.49

9295163.50

23072654.18

10016609.49

8933100.70

10963794.32

10590408.82

3-oxolauric acid

2744978.78

5103271.38

1797977.16

2414577.14

4309392.15

5035047.03

1473424.06

2416824.34

358836.93

2045006.85

3-Oxooctanoic acid

20493647.30

27714091.26

20336333.12

19825263.42

24029045.06

24428161.17

19813368.26

19570177.63

17004599.55

39251516.13

3-Tropanol

23985303.80

34709913.92

16753560.52

16919355.25

17642645.27

15991804.03

24601268.59

27080885.79

664643.57

21591454.57

3-Ureidopropionic acid

8857086.61

20421184.02

11464241.35

13450027.88

16125080.30

12075522.30

12774961.36

19215562.68

2025622.32

14083557.61

(3Z)-Hex-3-enyl isobutyrate

2877109.99

3030944.73

3476850.25

3156509.64

3066322.77

8297879.02

3744059.15

3198348.92

4149898.52

3384879.98

4-(1,3-Benzodioxol-5-ylmethyl)-3-(3,4,5-trimethoxybenzyl)tet...

6004359.11

8188547.13

2572842.87

2842442.10

7717620.30

7609003.43

2551256.61

2589835.11

372126.49

5727992.64

4-(2,3-dihydro-1,4-benzodioxin-6-yl)butanoic acid

99094.93

1435632.00

196504.78

1508631.63

92456.83

945075.61

155171.41

677826.04

45770.96

911246.85

4-[(2-Isopropyl-5-methylcyclohexyl)oxy]-4-oxobutanoic acid

2627985.97

1968665.95

4115464.56

1143899.35

2740103.52

1504754.04

1727412.95

840720.12

185910.41

1749871.97

4-{[5-(6-Hydroxy-5,5,8a-trimethyl-2-methylenedecahydro-1-nap...

1527862.08

3101269.06

6183873.07

5571772.33

6653852.15

3490244.26

2319802.34

2818511.24

93100.14

3960144.38

4,9-dimethyldodeca-2,4,6,8,10-pentaenedial

8252132.35

10939097.11

12645443.76

8748118.58

8988806.85

30728163.69

11261641.30

11042991.75

14432329.98

11400562.52

4-Deoxy-5-C-(3,5-di-sec-butyl-1-cyclopenten-1-yl)pentonic ac...

385146.18

1505277.89

371127.80

1720421.98

347871.60

886629.40

324015.24

609871.04

48349.86

842112.35

(4E)-2-Amino-3-oxo-4-nonenoic acid

1111628.41

1948555.19

746230.67

503766.75

2661177.73

1458939.36

1187184.47

975436.54

38577.31

4805185.40

(4E)-2-Amino-3-oxo-4-undecenoic acid

8284640.16

10920530.73

4118721.57

3355762.16

4877172.06

4257472.91

7702777.63

7387319.89

387005.73

6585679.14

4-Ethoxy ethylbenzoate

59108757.08

62086418.47

71235162.53

69196940.18

67414460.45

160601653.04

69105151.77

71436488.24

88815798.09

70508081.41

4-Ethylguaiacol

6144165.47

9593024.87

4787675.56

4652880.17

5946191.20

5032196.00

6252969.50

6622873.60

936788.94

5742865.98

4-Hydroxy-3,4a,5-trimethyl-4a,5,6,7,8,8a,9,9a-octahydronapht...

1236556.63

2455961.03

115746.35

151149.37

2184206.33

1568271.98

135821.44

143129.16

107148.76

1500922.36

4-Hydroxybenzaldehyde

28381478.97

69515323.61

47048680.06

61561229.17

43144350.42

50355793.62

69292865.96

78620014.66

282878.42

29778020.03

4-Hydroxybenzotriazole

14183399.19

17971335.42

17961898.26

22955967.90

14997546.90

13754604.89

14201837.46

15601607.79

25383.30

17114794.86

4-Hydroxynonenal

6153564.76

6915566.95

963940.96

952561.31

6466022.70

6527317.55

941483.09

981905.21

736090.55

3246670.51

4-Indolecarbaldehyde

33928849.10

45419777.20

34602151.74

39007578.73

40049621.85

48684361.58

42488597.41

51618923.20

44691.58

38387445.02

4-methyl-5-oxo-2-pentyl-2,5-dihydrofuran-3-carboxylic acid

3986418.16

5386660.76

2005104.60

1252191.09

1961282.79

1789742.67

3604388.32

3487716.02

81145.76

2786796.68

4-Methyleneglutamine

29103585.58

35093985.41

34565418.55

28504579.28

41803340.98

37764500.80

47152641.89

35534713.52

500364.66

34416903.92

4-Oxocyclohexanecarboxylic acid

534139.61

2586866.10

1006531.49

1389815.21

1351387.51

1549830.78

915234.38

2694556.86

172574.43

500161.84

4-oxododecanedioic acid

2047315.37

2431405.42

1707886.75

1229488.28

1588498.78

1569163.38

1531612.22

1287198.13

154265.91

1659046.39

4-Phenylbutyric acid

633660.51

1150410.64

1015227.28

1235801.18

889434.97

1465404.85

1717776.13

1764335.28

170708.38

1139135.11

4-Propylbenzoic acid

2405132.42

2896018.92

2912113.47

2857416.95

2651126.69

5997050.53

3025671.57

2965182.31

4879811.06

3112979.55

(4R)-5-Hydroxy-L-leucine

3152998.04

5098581.08

4538739.87

5062225.89

4559952.96

5806295.49

6099287.17

6979470.18

113271.32

4013644.41

(4S)-4-Hydroxy-4-methyltetrahydro-2H-pyran-2-one

18747496.45

22506070.30

6404219.74

7624339.87

20927366.86

23289386.40

6533641.01

7535370.50

2137454.93

11761429.18

(4S,5R,8S,9R,12R,13R)-1,5,9-Trimethyl-11,14,15-trioxatetracy...

1916976.62

2880740.61

316202.74

305172.72

1945321.34

2419821.33

319189.73

314875.08

249367.67

3620512.77

4-Vinylcatechol

17161979.09

18373482.87

4926031.85

4742911.16

15769228.84

16658250.01

4813894.29

4687201.24

3437407.40

14694270.69

4-Vinylcyclohexene

3012282.98

3824180.54

774645.13

699394.60

3127442.71

2469033.60

877799.00

733271.15

892031.75

3211304.57

5-(4-Methoxyphenyl)-2-methyl-1-penten-3-one

421901.74

602288.65

581483.97

580059.14

479969.19

1207161.83

534510.78

589728.30

715949.12

578263.56

5-[(5-Hydroxytetrahydro-2-furanyl)methyl]-1,3-benzenediol

1955699.55

3346170.93

1994990.04

2372948.01

2078998.43

3381440.03

2635843.28

3009934.57

609254.16

1961461.31

5,8,12-Trihydroxy-2-oxododecanoic acid

6842980.51

14856062.10

7594417.40

7769537.78

9128490.45

9704842.40

5696803.74

9597775.97

823848.75

6467059.54

5-Benzyldihydro-2(3H)-furanone

1301056.07

1383948.88

1588816.77

1465689.32

1325625.07

3617728.75

1542226.32

1420509.80

1740919.45

1579952.34

5-Butyloxazole

3995411.44

4779136.20

730124.90

747473.83

3706169.26

4023189.80

732967.05

738886.98

593614.69

3246233.68

5-Hydroxy-2-furoic acid

15351209.23

11347734.10

12016359.63

8013155.09

18258110.41

11792187.57

25441418.27

14339591.29

91137.86

9659248.93

5-Hydroxy-4-methoxy-6-(2-phenylethyl)-5,6-dihydro-2H-pyran-2...

434088.09

567696.14

370887.81

389849.22

535322.30

1233308.41

383731.97

409198.29

465824.51

461999.57

5-Hydroxy-6-methyl-5,6-dihydro-2H-pyran-2-one

8807425.50

13708815.35

11914939.18

12099528.04

10253642.92

10740732.92

11834663.18

13304136.03

246992.30

1328296.98

5-Hydroxy-DL-tryptophan

31736288.49

31732149.41

28072857.86

29124008.91

33675330.89

32404039.77

30968795.85

31762015.83

75294.11

25031651.21

5-Methyl-2-octyl-3(2H)-furanone

31941138.52

29420898.73

55213887.86

48844252.61

27928520.78

52659084.27

228182034.04

79331220.67

17720976.70

64953317.98

5-Methylcytosine

13565998.28

17495191.51

14921447.36

17906259.26

17362591.29

15475174.01

23046591.58

22172263.33

228154.19

16078296.91

5-methyldeoxycytidine

13157825.74

20798494.57

17152848.91

20145950.47

19087703.09

21350653.50

26585531.16

26881587.47

73388.91

18725616.98

5-Phenylvaleric acid

4485707.61

4732758.08

4703775.95

4699752.80

4423564.89

13478316.86

4763745.39

4674071.97

5425467.16

5009894.14

(5S)-5-hydroxy-1,7-diphenylheptan-3-one

2729195.77

3292172.08

2533186.50

2273391.24

2216292.89

16297379.75

2385644.78

2921395.85

524465.48

18694962.69

6-[(1E)-3-Hydroxy-1-buten-1-yl]-1,5,5-trimethyl-7-oxabicyclo...

2781380.70

2941090.65

493936.48

447744.97

2804770.54

2950263.49

530499.43

554671.39

675800.12

1586627.55

6-[(1Z)-1-Propen-1-yl]-2,3,4,5-tetrahydropyridine

5676293.72

8254318.92

3920577.70

3980427.90

4233959.35

3788891.02

5836830.72

6485143.48

114566.32

5004212.21

6-Hydroxy-4,9a-dimethoxy-3,4a,5-trimethyl-4a,5,6,7,8,8a,9,9a...

13431389.32

16543055.58

16531036.83

16527735.11

14853010.01

47330661.22

16483985.99

16372747.51

18373831.43

17261949.98

6-Hydroxy-5-methyl-4,11-dioxoundecanoic acid

2881321.35

7105008.69

2910790.93

4621122.13

2564972.62

4349458.46

3602624.46

6144630.21

188171.16

3415528.18

6-Hydroxycaproic acid

20147621.66

19801077.54

21490796.41

21001558.71

20792132.28

19040025.25

15064032.95

24275572.34

884943.09

26920307.53

6-Methyl-6-(5-methyl-furan-2-yl)-hept-3-en-2-one

2093916.14

2270709.74

2439928.22

2329976.38

2225872.84

7003857.71

2405284.32

2413905.00

2840511.06

2483816.02

6-Methylquinoline

1901223120.76

2930278308.30

1940555986.70

2215256365.20

1523885303.58

2010010608.76

2826123543.20

3178858855.70

11686877.13

9031075933.75

(6S)-2,6-Anhydro-6-[(1S)-2-isopropyl-5-methylcyclohexyl]-L-g...

302181.30

791626.90

368090.43

358338.85

258954.30

614710.85

345030.30

1087188.01

65655.34

394341.95

7-(2-hydroxypropan-2-yl)-1,4a-dimethyl-1,2,3,4,4a,9,10,10a-o...

9339930.03

13335764.99

8355630.27

62266746.98

13574213.00

16946085.30

28719629.67

30120399.12

51814.08

25541938.45

7a-Hydroxy-3,6-dimethyl-5,6,7,7a-tetrahydro-1-benzofuran-2(4...

4068822.04

5352108.02

5162409.61

4829370.13

4857133.49

7769306.33

3634723.44

4208630.66

3487194.47

3261479.85

7-hydroxy-1,4a-dimethyl-9-oxo-7-(propan-2-yl)-1,2,3,4,4a,4b,...

9394964.81

13409316.08

8417599.48

63702663.26

13646317.25

17106197.22

28808379.67

30255886.55

97971.00

25671363.89

7-Methyl-2,6,9,12-tetraoxahexadecane

211000.53

324681.04

332589.31

279356.04

291324.60

608238.91

329963.05

533577.98

368691.62

524735.47

7-Octene-3,5-diyn-1-ol

6285571.02

6264022.51

3535722.14

3625626.34

6247573.35

7282471.01

3421625.24

3468600.97

1392510.17

4791850.19

7-Oxoheptanoic acid

1524513.38

2608142.63

495611.71

648096.10

1785860.54

2332493.47

512185.12

707051.63

204490.92

2103813.33

8-Amino-7-oxononanoic acid

2455812.28

4362756.89

2696474.84

2522125.89

3422795.84

3123430.02

2978439.40

3278943.68

2541264.64

5238050.53

8-Azabicyclo[3.2.1]octane-1,2,4-triol

17091319.71

25460818.25

9565139.62

6415102.76

11144824.50

8253583.91

20909733.84

12742513.56

236007.80

12971997.94

8-Azabicyclo[3.2.1]octane-1,2,7-triol

411507.47

490922.60

392683.04

398419.86

318304.79

158804.12

6792469.82

5053133.43

139937.23

1381322.87

(8E)-10-Hydroxy-8-decenoic acid

789333.43

1193958.22

570108.76

499956.23

833256.95

691739.32

839939.28

685816.24

192466.95

679034.14

8-Hydroxyquinoline

777030.89

411067.65

833482.66

730920.89

921508.58

599514.03

1260722.74

1384850.26

58399.54

173019.37

9,10-Dihydrokadsurenone

454464.09

1154672.83

322261.30

338096.93

482156.70

1530086.23

1609210.52

704068.11

75031.24

744088.91

9,10-Dihydroxy-11-(3-pentyl-2-oxiranyl)undecanoic acid

4388477.36

6933603.51

5983155.08

7147900.86

5663129.43

7243143.32

5305763.56

7380971.70

40257.00

5652675.84

9-Anthroic acid

562145093.86

647181166.63

656083605.26

643469212.08

603085300.00

686229697.86

673257066.70

641450970.82

121048.04

600682203.45

9-hydroxy-7-(2-hydroxypropan-2-yl)-1,4a-dimethyl-1,2,3,4,4a,...

1711539.84

2189958.06

739545.71

3752412.77

2177902.93

2235698.64

1935714.20

1805351.04

184447.46

2385413.80

9-Nitrooleate

993017.53

1064065.78

570415.85

388023.59

608272.55

630099.07

645933.26

592044.48

51061.95

568072.61

9-Oxononanoic acid

3645510.25

5538400.13

1980335.07

2602376.33

4856915.77

5839105.06

2175441.81

2784397.23

408536.42

2365891.18

Adenine

987368.20

2165746.44

812120.29

1292035.47

1028438.45

838175.59

763690.29

1316328.97

371954.22

727313.44

Adenosine

19807414.80

95430596.06

5452065.15

49703632.89

33611069.53

12336408.04

14394236.89

38698121.52

1884813.72

9986036.68

Aethusin

533396.21

546388.93

608095.84

544080.41

564165.60

1461678.22

532844.86

562340.23

997419.82

831540.24

ala-ile

2287789.46

1833365.51

1876839.06

841665.30

1484273.60

1148235.47

2224624.20

1365497.62

35690.44

1606340.43

(+)-Allopumiliotoxin 267A

154446.55

254937.49

351798.98

156897.58

153652.64

123069.46

1406639.22

521567.32

43193.66

103316.52

Allylcyclohexane

720682.25

820133.03

807949.91

774712.65

742616.32

1968216.65

798924.80

744786.55

834729.13

810288.85

.alpha.-Apocholic acid

3064674.17

5563150.36

7421149.53

7515934.74

8233497.09

4435723.56

5992611.65

6049302.01

94948.91

5850283.68

alpha-Ketoglutaric acid

26050051.65

20140581.43

16941906.17

18975491.37

28317356.85

27371448.57

39949897.82

24067774.32

90175.01

14672804.26

Alvameline

464175.16

292217.88

732523.76

8306765.28

1262319.15

2221659.60

496495.37

727199.80

624887.90

510130.80

Apocynin

5191846.65

6440003.73

6381447.66

6372825.74

5945600.51

14544360.16

6017123.31

6329882.59

7308989.98

6083829.62

Aprobarbital

962542.50

1430898.70

1026666.39

1023895.03

1375242.48

1507518.40

2129357.43

1937673.64

31993.48

1458669.95

Arnicolide A

313047.97

415663.66

399989.51

394347.26

332433.70

1299434.15

402994.45

402590.72

540715.05

446714.39

aromadendrin

83366.51

7478344.77

32140.55

47233.07

72145.87

106010.60

39308.68

38188.10

29135.57

47482.70

Asarone

328184.67

1902750.88

369515.68

784323.79

514972.67

1064362.25

737380.60

531158.27

236402.89

584279.13

ascopyrone M

45537254.79

85531780.16

62963868.01

80050425.27

65570381.22

67943587.58

80681046.29

91777010.47

1133439.82

68464524.31

Atagabalin

5366625.64

5075509.39

2754657.63

1724155.30

2661729.60

2201715.39

4781357.38

2799906.10

106342.15

3353368.58

Azelaic acid

23075233.62

42440234.99

18684936.01

24128571.89

23726315.73

23978731.67

26262286.02

37104723.07

10168454.95

21333299.93

Bemegride

42647727.73

64652882.49

25931470.47

20242941.33

26057170.61

22341776.00

47369606.93

42415409.76

306146.03

35866075.74

Benzaldehyde

3381951.30

5175414.68

4240906.98

4634911.51

4171491.79

4517510.95

5160200.82

5253067.93

84282.73

3802038.34

Bis(2-butoxyethyl) ether

5292698.28

7022018.88

7067373.57

6774310.36

6008688.81

18721272.77

6419847.51

7160222.27

7836326.46

7112059.21

Bis(4-ethylbenzylidene)sorbitol

34445531.12

39967611.97

34514177.23

40002792.96

30550818.04

51661830.86

32769977.63

37513313.76

168432.68

36422955.15

Bis(8-methyl-8-azabicyclo[3.2.1]oct-3-yl) (1S,4S)-1-phenyl-1...

24174584.36

35466840.36

29406213.10

35351443.41

28931526.73

36339920.23

33191377.98

34808120.65

171750.15

34929634.01

Bis(methylbenzylidene)sorbitol

256505783.85

314014139.24

175249195.05

173814121.40

300760782.19

352270861.42

172904925.91

169501240.21

47361623.03

241239928.47

Brassylic acid

2299502.78

2670841.08

343316.14

419679.26

2562740.00

3184010.18

359664.38

402209.40

194793.56

1447609.23

butoctamide

14581536.14

16620566.19

607533.40

568700.84

15707532.18

17334143.30

600069.06

664270.58

229101.92

7996954.94

Bz-Arg-OEt

1288603.66

879620.30

2145002.69

601310.48

1260219.30

392125.35

611574.35

560490.86

26051.87

812454.04

C8-HSL

2415124.98

6166802.44

1933308.73

3227281.50

2955724.76

2203619.20

3276401.78

4775824.71

219246.10

2907097.23

Caffeine

2532732526.60

2967676517.30

2835482274.30

2796408800.00

2578569929.00

2899267332.10

2973761774.60

3005535968.70

863361.23

2951894952.00

(+/-)-Camphoric acid

5168658.09

7892489.60

5009964.82

5109223.51

7458355.77

7787821.98

5198245.68

6341965.18

2682499.09

3898108.56

Caprolactam

3891876.39

3624141.63

2337039.20

1452925.71

2068765.13

2051956.36

3182477.92

2245515.69

746400.15

2047406.82

Capryloylglycine

517708.92

779003.12

326196.89

266397.26

163116.32

301649.64

502150.50

1336979.50

46789.11

493639.20

Capsi-amide

5453187.37

6665328.41

6878967.93

4589676.31

5480507.70

10898347.90

8140638.68

6410759.08

487944.01

7178548.91

capuride

7901534.62

8022111.81

4379592.60

2737247.22

3898444.36

3974255.17

7341552.48

4229597.32

148427.88

4676270.38

Carbazole

5027601.11

8688027.33

5651273.36

6468048.53

4025609.65

6451138.45

8286662.61

9687077.70

86504.06

30600085.08

carglumic acid

2152732.65

3039546.20

2522049.75

2851933.81

2979275.12

3110948.86

2779263.45

3472888.45

1128626.59

5594334.43

Cervonoyl ethanolamide

1191335.99

2368365.40

4976938.29

4394777.76

5216842.68

2723229.20

1831155.47

2225744.77

43055.62

3108693.49

Chromone

12124647.77

24199645.70

16066029.51

23327131.73

18496464.34

24570261.92

24515318.07

28302532.27

46391.58

11188253.73

cis-acetylacrylic acid

11359942.17

12384308.00

1084351.74

1116996.21

11668837.18

11821213.12

1051586.03

1605372.14

655248.64

6149987.21

Citric acid

103802887.42

87948816.38

89231748.85

60645345.71

138505569.22

115749228.98

208645570.60

119491173.91

267840.14

77379108.07

Clomazone

265275.24

444758.62

658270.11

722813.35

2113536.72

1559267.92

12072676.66

11899745.37

26312.34

3323073.24

CMPF

161470.41

1407409.91

1053604.19

1368595.78

672656.50

1537499.53

992833.92

1460431.01

75739.39

317316.85

Corticosterone

8507571.76

10729423.30

15461399.70

12169208.11

10252572.74

26585075.81

15134396.09

23658096.23

52502.33

14129285.88

Creatine

244293342.02

376023786.48

559939450.47

464216922.10

189802227.58

245239070.61

219510157.31

225718214.67

5687016.07

266734378.12

Creatinine

81875594.40

86001344.48

102785433.20

96447748.08

93122606.42

78066579.19

119045586.16

92296857.27

691453.13

77911720.28

Crotamiton

797905.04

969997.89

939915.67

970995.74

804908.12

2101532.12

866375.92

1118477.08

1117196.64

2164709.69

Cuminaldehyde

9584884.72

11030346.09

10366566.57

11230932.37

10690125.75

33333151.19

10359837.17

11002807.75

11241643.54

11095037.00

Cyclohexylamine

3714591.82

6865792.79

6855905.37

5120408.71

6294752.53

4487576.15

6520725.59

10075391.67

117046.94

8019389.49

Cyclo(phenylalanyl-prolyl)

1118127.97

1566922.34

1903681.55

2034128.66

1380920.60

1294252.66

2437378.80

2371527.08

59447.75

1677870.73

CYCLO(-SER-TYR)

11488548.07

4880141.62

10483668.34

3409267.78

23814819.62

9769828.04

43678149.25

12202678.67

290505.34

14541801.23

Cyprodenate

36455834.26

33561278.93

63642337.02

55739686.21

32914114.93

57951616.27

254552689.46

88747670.84

19474568.52

73202884.45

cystine

5781002.42

9879422.51

6549729.88

8403132.77

6975098.78

14382371.80

8727072.29

11107335.70

63765.68

8683125.09

cystophorene

1873919.87

3145810.47

1392092.70

1990440.21

2779135.18

3896920.51

1248724.26

1862363.48

256310.17

1351274.19

Cytidine

44498483.17

76006122.91

63548154.68

62064835.79

57272889.35

73949728.73

101594315.58

102573920.95

94065.65

55941388.17

Cytosine

168676190.44

116620780.81

36210752.72

38446796.55

52729371.95

31887586.93

130331507.20

60255782.95

117879.08

251919658.83

DEHYDROCOSTUS LACTONE

94460.65

128671.40

106269.30

95962.77

114957.04

613673.64

121678.38

132211.54

95463.46

113379.49

Desthiobiotin

560912.40

1825817.78

630130.93

1175914.97

623093.86

673614.07

459578.48

727070.33

64996.47

255132.59

D-Homoproline

95198456.64

154876432.48

90900640.76

183885909.52

158125834.60

125599563.55

137592795.17

193541545.76

1201525.15

117779425.35

Dibenzylamine

20179556.45

13987382.58

19848502.08

7780705.91

11358368.54

11326845.04

17682056.34

7941336.46

3561091.67

17358540.69

Dibutyl phthalate

18713287.25

94233781.94

24473625.30

122311076.33

18994674.42

57328844.06

13686124.63

52674855.65

988947.93

47611210.32

Diethylene glycol

846497.29

938845.33

841814.74

857040.95

847144.95

816625.50

1027904.46

978953.86

1427966.36

84007380.71

Diethyleneglycol dibenzoate

786458.79

1327269.26

1357587.36

1231212.85

1071591.00

3086527.93

937075.14

1184073.22

2327313.09

1060384.06

Dihydrocapsaicin

942983.93

1533927.55

625230.21

741933.31

1009479.58

831602.43

1393646.97

1431230.01

51777.20

1157483.18

Dihydrokawain

154272.47

189722.46

185542.99

178957.38

166059.50

852145.01

191117.85

173465.51

265577.80

174408.62

Dihydrothymine

9256601.48

14547761.19

7633891.21

10008784.50

5224469.64

6918288.09

4780034.33

4945043.72

106465.21

6582190.84

Diisopropyl phthalate

3002099.67

3402403.59

3569079.15

3373134.52

3106170.71

11109541.72

3309109.58

3501744.88

4491000.20

3720967.03

Dimethyl octanediimidate

844104.99

588726.48

311903.28

194041.18

267330.58

300735.11

494840.48

242818.53

20632.12

316803.64

Dioxy-creatinine

177357026.33

230905075.14

174358962.04

208205527.48

143767835.48

248020523.56

197274602.93

247360723.88

1585339.20

213337523.38

Diphenylamine

12515369.64

21188326.89

11394939.95

15092736.41

12626692.61

15477254.00

17511619.39

20496226.87

191947.54

7439564.21

Dipropylene glycol

11893028.28

12224357.01

10550263.02

10374172.11

13649494.00

25196356.30

10889458.15

12107816.73

10855346.68

11574725.20

Dipropylene glycol dimethyl ether

36125748.51

42504506.30

42574700.76

41957540.60

40405536.84

40405372.74

47410993.64

44663216.64

55665005.94

1675542617.50

D-Lactose monohydrate

4980903.26

6540985.81

5236454.76

5938363.17

24813101.32

10428427.20

10182847.96

9079714.48

96267.17

9507684.57

DL-Glutamine

21390951.43

29513048.33

26152276.86

29307108.19

21266100.12

44415524.61

38444859.83

49277110.09

296984.36

58001857.41

DL-Homoserine

35159977.24

113843096.88

51464767.65

381996059.27

236173283.01

379506169.61

300972873.89

122185754.58

9035302.98

38967440.17

DL-Lactic Acid

15902410.97

23252045.91

24732696.66

26070024.15

20003087.29

27845722.63

37412927.08

30047831.18

89490.02

12985798.26

DL-Lysine

198460329.84

302936830.36

241818121.53

273322290.29

259948718.52

290913401.93

304233242.41

340035078.17

1150054.08

300664636.19

DL-Serine

27610792.80

48636364.66

36001210.97

69678207.10

30340022.13

83117412.01

65116961.68

100273471.33

539464.76

64376832.49

DL-Tryptophan

3828219323.50

5786093776.10

4242970983.00

4721387280.30

4858801396.00

6240589636.40

5296609843.50

6374584632.80

610308.15

4750517652.00

Docosahexaenoic acid ethyl ester

1822191.29

4434811.61

15191228.38

11997351.73

12742781.86

7076584.24

3025831.43

4403973.63

47979.10

5205458.15

Dodecanedioic acid

1479113.91

3270768.49

2912465.37

2492136.55

1394514.56

1150425.92

922968.23

1960581.22

43832.01

1624267.36

D-PANTOTHENIC ACID

55465439.26

104763314.77

63956968.00

93802894.43

67560127.25

82308746.13

69131300.03

83400341.91

716295.68

67798842.78

D-(+)-Pipecolinic acid

167432013.08

253785914.64

200613243.80

229811420.60

218259031.21

242001684.79

253758561.66

284229248.60

1032483.88

253608789.09

D-(+)-Proline

53566708.40

72383381.11

60690745.61

79516439.00

58192445.29

67080475.62

72447654.86

71814546.37

790712.59

34904723.57

D-(+)-Pyroglutamic Acid

107249310.92

151755420.44

90493862.77

107919137.11

109931096.67

129792598.40

120837377.06

143440426.15

2706585.70

77831103.11

D-Sphingosine

796601.76

2710166.14

2203850.24

2699470.77

876596.30

2618105.37

2601964.22

3182597.22

44738.93

2097380.86

d-Valerolactam

1109636.11

1714119.66

1287951.52

1295355.11

1250914.41

1539507.63

8351055.71

11139901.74

984153.66

4472347.86

(E)-2-Butenyl-4-methyl-threonine

1051672.73

1123227.58

712043.76

500584.40

811492.18

736896.82

1137135.25

1265990.83

72398.24

743159.18

(E)-Aconitic Acid

14109343.53

9747369.38

10381357.40

7235305.35

17510842.96

13634905.17

23993875.93

13234361.31

44962.67

10168771.70

ENU

4066796.72

9167761.75

2785879.51

5640478.08

4644267.55

13051994.62

5542621.02

12122305.86

41968.53

6505283.05

Ethinylestradiol

170438.47

226200.71

157335.94

6465483.22

469490.88

416837.66

1038252.59

706445.97

52862.52

1461085.32

Ethyl 2,4-dioxohexanoate

2501578.12

2905682.96

448779.56

461624.43

2642483.50

2714596.25

432636.67

437183.86

303176.39

1487695.48

Ethyl 3-methyl-3-(p-tolyl)glycidate

12841722.77

15134860.66

15272506.86

14850801.87

13799154.83

44567613.99

14740402.40

14652813.80

18255471.71

15659132.53

Ethyl 5-oxotetrahydro-2-furancarboxylate

407986.60

1133606.91

749845.93

948096.16

873800.79

1196792.70

948529.42

3212173.59

168421.91

404471.22

Ethyl caproate

483380.15

583192.95

583298.02

544661.11

544512.87

550285.19

570450.79

589083.25

633479.94

4209360.93

Ethyl furfurylacetate

7920943.93

11354198.03

9848875.03

10281496.45

11830362.79

11956903.90

9238465.69

13207955.70

6077497.01

16911339.58

Ethyl N-[(2-isopropyl-5-methylcyclohexyl)carbonyl]glycinate

598740.35

1851257.04

731486.96

1612974.97

462314.70

1417538.32

1095206.77

2917659.07

48139.66

1282897.40

Ethyl palmitoleate

8850096.05

8772264.85

915395.57

4702780.89

5777895.98

9208347.45

883930.31

6301067.75

223412.96

6819624.46

Ethylparaben

403468.55

801456.97

369394.36

323211.11

393817.12

408510.71

556514.34

398409.78

149483.09

293365.19

Etodolac

660948.66

1394722.24

636799.94

517854.94

507479.39

452031.85

887385.05

2005923.45

48522.98

809722.49

Fenfuram

910973.61

1796945.13

1861401.69

2009356.67

1552629.34

1726989.98

1291634.00

1282290.21

110773.30

1296234.99

Furaltadone

9560152.63

21337786.07

14556085.94

19139730.90

14892180.59

17421239.14

21532278.66

26060511.83

54654.10

17726721.27

Gabapentin

63119248.07

70155304.71

86013581.37

77456547.72

72032156.57

93978409.36

77856536.33

88403488.75

86939475.05

83455507.97

Gamma-Hydroxybutyric acid

23084205.34

19428017.12

17999315.85

16909885.28

22552659.07

18319496.27

26220235.17

29001945.94

860245.03

25133596.85

gepefrine

3698063.25

5464336.55

2558485.97

2550016.59

2691740.41

2417661.56

3844001.35

4168718.67

67239.32

3233282.11

Gingerdione

167341.68

196622.21

163485.53

1046719.78

173020.24

326296.46

145407.99

143532.37

117669.22

198138.28

glu-leu

16537587.26

25356573.37

21679109.14

23769346.76

21128274.07

26311614.19

26121777.38

27115282.09

36121.11

21522099.96

glu-tyr

6149023.11

12199196.22

11305476.73

11055685.99

10308248.88

11966173.14

16426795.36

15693653.02

39166.80

8650527.15

Glycidyl methacrylate

6067952.03

15545349.49

1809876.68

1787707.24

11751297.67

11279507.25

1902054.22

1771776.71

649016.52

4526263.34

Glycocholic acid

1354658.23

2186285.63

1057459.81

1434874.74

1937527.76

3112161.68

1913437.91

1777705.25

41443.00

1829307.09

Glycyl-4-hydroxyproline

168542.11

1239502.65

148538.46

629684.36

206237.56

198037.52

98056.57

623439.13

57676.36

357876.82

Gly-Ile

556139.70

422892.94

452301.00

217851.44

366865.73

261564.40

668580.65

345992.40

26215.40

326571.31

Golotimod

1357624.48

2009464.91

1911949.21

1969861.27

1637013.40

1855546.64

2284345.24

2265797.88

20566.84

1864939.41

hexahydro-2-oxo-1h-thieno(3,4-d)imidazole-4-pentanoic acid

151869.50

72200.82

97126.96

145030.52

164172.28

7986635.68

156047.55

888897.63

159816.80

922726.70

Hexanal

1995535.55

1895527.42

2246479.31

1880048.00

1955047.87

1745379.15

1783786.00

1758437.33

2321446.53

9229384.72

hexapropymate

2637147.67

3619963.46

1345543.27

1129410.49

1299024.55

1231589.67

2703309.69

2616772.46

45631.62

1878931.35

Hexylresorcinol

22636071.23

21946893.82

4873570.83

5038569.04

20603590.83

19652294.25

4351081.57

4537410.38

2238515.13

14314953.44

HIAA

37021777.93

28778348.05

48198143.40

26448620.01

66575209.14

51196350.15

99337363.12

57766632.96

104533.63

46978050.75

Hippuric acid

14208957.88

2086039.14

94157186.00

16993301.32

26577742.21

2895520.61

56529036.92

3049605.13

114424.17

23698821.95

Homo-L-arginine

4493610.87

7062957.92

4724280.18

5740213.24

7068226.98

9451711.91

9188824.97

9955373.50

36211.81

6089318.44

Hydrochlorothiazide

292833.62

484629.49

401705.08

396115.28

78406224.75

427356.91

380755.61

433820.96

328951.27

13123812.52

Hypoglycine A

10064649.41

12355696.44

4363203.75

3199450.53

5042422.92

4443556.08

8885871.34

5856673.46

374522.47

6054993.52

Hypoxanthine

1173160.45

4461376.56

343943.64

1928324.81

1017726.82

292266.12

997591.50

1482433.24

160729.86

523666.32

Ichthyotherol

2160969.34

3916713.79

243663.84

209346.00

2201594.76

5482429.80

213376.98

188920.15

272248.86

5083432.82

Imagabalin

6268864.48

5159213.60

6580853.71

5365278.66

2421236.57

2465536.01

3456548.23

14973712.28

138607.68

5014910.50

Indole

38868855.76

54798205.28

40089585.18

45080130.17

48087920.22

57743866.47

50399871.90

61378020.12

50762.22

43880140.52

Indole-3-acetic acid

3602372.82

5786957.76

3890850.13

5034249.12

3373146.19

3748809.33

7063591.64

6911123.58

24006.22

5093307.17

Indole-3-lactic acid

2210145.38

3131338.31

2631066.60

2939533.11

3007238.86

3407158.12

4233392.96

4143327.26

20858.49

2921951.92

Inosine

8178936.03

25315797.57

4400990.27

9203610.64

11464388.73

8440456.28

9742479.22

12630953.62

256691.26

6766191.00

Iodocarb (IPBC)

1522528.09

1885318.98

1854467.53

1876799.45

1731978.33

3638771.84

1827947.73

1877405.45

2298076.33

1970431.78

Ketamine

2604708.02

934625.04

6918053.68

7024710.67

1055506.63

18744862.53

6091734.28

7418089.93

29933.88

13373309.46

L-(+)-Arginine

39725679.31

54516237.83

50642497.20

36726798.84

41970345.81

42898813.55

31453307.01

26082698.29

645389.09

44650401.59

Lauramide

10677236.19

12331427.37

12869220.95

10240110.75

8584079.29

18634145.29

13534616.57

13748417.03

6454428.84

12266927.65

L-(+)-Citrulline

24920233.57

30722356.81

30310548.68

25170820.84

36689767.31

33105123.04

41090211.91

31018805.32

219689.15

29901359.74

L-decyline

1752332.78

1605950.03

1000328.47

509998.94

720730.44

721283.58

1362228.27

2365889.75

34191.44

1157535.83

Leu-pro

125041.55

131308.07

112478.74

130224.97

1241945.12

163668.43

127917.42

134388.92

42959.03

4263452.65

Levalbuterol

520362.31

687182.42

564732.96

611732.58

655624.70

1252641.90

613406.35

651742.15

455861.77

579916.49

L-gamma-Glutamyl-L-leucine

3619843.98

5314582.33

4146697.23

4812912.80

4371472.46

5444225.70

5421340.54

5687187.92

33149.41

4580461.95

L-Glutamic acid

73227197.06

97617818.39

83423829.74

81612097.67

83979279.17

101601813.71

112625914.53

120559044.47

1350308.45

77249084.27

l-Histidinal

251973648.00

165140738.51

68613292.48

282839002.68

159839330.39

250732000.97

194007999.05

165163472.81

158709879.40

223546564.20

L-Histidine

23306288.73

42725430.29

35413056.08

39984366.44

33965957.48

45173834.57

39717647.17

51793698.95

972627.83

37156373.52

L-Hydroxyproline

15501971.79

22795513.60

9687939.00

12099984.52

17878011.13

28757766.85

22204640.68

23146855.42

400394.11

20763622.99

Linoleamide

59893338.06

56594887.66

41189643.92

25826337.38

16865838.58

23437690.55

39746387.51

78706451.28

423807.22

42784476.52

L-Isoleucine

5961374756.50

8845403889.50

6738260850.40

8677905076.20

7408939329.80

8669672476.80

7845839706.10

8877192863.10

1166815.23

6220442172.62

L-Kynurenine

34791083.01

26994630.10

45273121.24

24870145.34

62353171.66

48674523.86

92801158.84

54324251.42

87942.53

44290394.09

L-(-)-Methionine

12646792.95

727584.87

674193.32

919340.21

93950352.17

1869957.71

3038293.52

963327.34

313158.62

401579700.72

L-Methionine sulfoxide

592135622.90

756698964.02

733255376.95

778117733.30

745879173.17

616581405.57

660124816.24

724141654.54

941330.76

657758685.12

L(+)-Ornithine

12053516.08

19653281.86

12615027.92

14523298.58

14253982.27

17905339.19

13485420.44

16309633.96

1472284.89

15938336.88

L-Phenylalanine

3167098536.00

4451066474.20

3799360268.70

4273252167.10

3652287117.50

4336103166.50

4467685323.60

4728903809.60

1123869.31

3804823235.88

L(-)-Pipecolinic acid

30610366.71

92517157.87

64353804.25

81580092.69

48003005.76

64403142.04

72674047.73

108177843.57

630444.53

39773005.75

LQ1825000

8927463.40

13042002.21

5534645.02

4349142.54

5268990.46

4772126.02

9497602.52

8394323.92

497838.84

7074568.60

LU3453000

13159568.71

16642664.20

14381773.77

16371839.96

15368962.21

15768445.68

17005932.71

17551465.90

253975.40

17066759.92

L-Valine

1118417911.42

2042634136.20

1315220747.42

1970586658.51

1628913913.80

1803062527.40

1733391537.90

2103636397.10

2839482.20

1610849533.62

lysophosphatidylethanolamine (22:6(4Z,7Z,10Z,13Z,16Z,19Z)/0:...

1215997.72

1668625.06

1385724.37

1481060.58

1601743.38

3301237.80

2866012.73

2275673.09

83111.03

1786945.45

MDPV

412337.09

488153.19

485783.40

483396.66

451851.82

1729805.93

421880.74

447029.27

616363.66

523879.52

Meglutol

51941735.76

101234015.80

73933230.79

93446097.54

77441237.73

81189462.90

96921439.57

116773155.67

1424089.73

84267466.77

Methyl (2R,3S)-3-hydroxy-8-methyl-8-azabicyclo[3.2.1]octane-...

5682097.01

8142987.94

2962019.48

2489989.83

3090584.60

2786571.30

6475314.17

5911544.88

123520.87

4281031.55

Methyl alpha-aspartylphenylalaninate

6336509.68

8699219.11

8313081.91

8614648.08

7730129.57

9368923.69

11863093.31

10776725.05

72039.55

8633332.58

Methyl indole-3-acetate

5547476.72

7813941.30

6859380.33

7492376.85

3813523.92

4598067.08

3863000.32

3815276.74

37795.08

5165890.23

Methyl undec-10-enoate

1933286.19

2918586.62

2595783.04

2488181.90

2397160.57

4655724.28

2489150.83

2691926.89

2715534.23

3170456.48

MFCD00016472

5151170.21

7110265.41

5834021.66

6429404.65

5791114.92

8595133.59

5227599.81

5951249.13

1544650.00

7062458.36

MFCD00037215

7143685.29

8267678.45

7828288.84

5809906.58

10266801.43

7340506.60

10868339.41

8669063.61

58554.45

10093494.30

MFCD00065806

55851.89

60412.45

50354.80

2766738.67

73705.77

137194.08

108658.97

117965.03

42969.54

427452.60

MFCD00070502

4708654.63

4860146.68

719480.78

1585571.57

4928802.84

2986618.72

11936070.97

11742325.90

373031.86

10340784.71

MFCD00130070

4984751.69

5192182.58

4543220.29

4306783.82

3938779.42

6654607.98

5225497.49

5643051.67

1696731.50

4359408.93

MFCD01111382

1387704.45

1198657.02

1288290.48

1594351.83

1142768.08

4203840.84

1193958.86

1581182.92

1492339.47

1611907.03

MFCD08277025

759933.50

1919338.39

729255.58

494431.67

467484.98

346487.58

1009627.83

1897847.12

29856.48

883630.75

MFCD15144952

17872909.90

20112170.87

1695266.91

1721775.87

18849302.55

19344971.56

1666798.94

2239062.02

921533.08

9980908.06

MI5550000

541827.29

624480.11

750715.14

664767.05

549542.11

1924107.89

664937.36

699742.38

1166613.77

703073.97

miglustat

2729807.51

3515132.36

3734643.83

3647386.04

3798926.55

13366397.01

3524695.74

3735719.77

5483301.87

3698675.25

Mitraphylline

3996938.30

4421044.44

452059.52

455373.20

4335716.98

5371151.30

496447.72

520317.00

161720.82

2414963.27

ML-236C

494453.66

701182.23

623483.26

585431.39

552533.10

1484484.46

620338.74

686382.75

925758.49

598892.55

Monoethyl phthalate

1012436.84

318271.30

407060.91

274773.44

183740.58

274743.14

264442.38

289057.51

99058.14

349712.02

muramic acid

1367200.88

2311248.59

1605239.90

2376290.43

2672422.26

2693114.09

3498699.93

3894405.88

73557.20

910729.04

Muscimol

7057788.11

9001691.75

11501399.77

9674088.13

6869423.93

8319577.18

7104791.98

11881519.77

10786963.51

8631394.87

MX5800000

775152.28

2284412.19

1332168.98

2385911.14

1609482.81

3494808.04

1603698.55

3664546.49

387076.74

534805.96

N~1~-(5-Aminopentyl)-N~2~-(1H-indol-3-ylacetyl)-L-aspartamid...

931192.92

1111695.87

557511.67

449163.48

624113.32

665583.55

923435.55

393220.73

48605.16

574163.44

N-[1-Carboxy-3-(methylsulfinyl)propyl]glutamine

6268810.34

14732025.67

18831313.94

17033567.56

14576651.37

10402383.81

24113655.68

19246161.46

114302.08

8867651.92

N-[(2S)-2-Hydroxypropanoyl]-L-leucine

1546753.80

2848757.02

947111.68

992823.45

1085368.01

925468.09

2018895.86

1706089.71

161601.64

1152593.10

N-(3-acetamidopropyl)pyrrolidin-2-one

3825013.19

5023245.42

4295304.06

4214105.31

5310486.72

6319531.34

9799373.95

9273112.48

69610.69

5439213.90

N4-Acetylcytidine

2367259.84

3618415.43

3289270.34

3930426.70

3517857.16

4338938.44

6559999.31

6704349.82

24231.39

3884502.73

N6-Acetyl-L-lysine

7003323.45

7213466.30

6028429.50

6125410.55

9640094.94

8655812.81

8409420.99

7179148.96

42422.85

5384955.05

N-Acetyl-alpha-neuraminic acid

890426.71

2117661.21

1043341.73

1481906.90

1218994.42

1460596.84

1482438.12

2302347.16

35872.17

809022.89

N-Acetylimidoquinone

1539659.57

2347185.43

1888129.75

1894903.57

2130895.70

1225236.57

1352617.97

740808.51

26098.09

717520.57

N-Acetyl-L-leucine

107173695.33

163666386.79

73623588.74

45433523.86

78028589.47

60617215.94

124992941.83

104161787.02

601813.58

75478936.58

N-Aceyl-L-tyrosine

3041827.14

4355968.47

3794055.51

4008933.29

3409522.16

4380784.47

4218659.78

4573279.78

45894.22

4144868.27

N-Benzylformamide

506734.96

940617.47

329110.41

642319.61

413244.02

415974.14

442219.83

630765.67

105990.52

213867.84

N-Desmethyltramadol

7699283.07

8326010.57

9306361.29

8092587.02

7807427.48

8451321.97

29555687.81

10698805.16

3422029.24

12799850.35

N-Formyl-L-glutamic acid

1157285.22

4317555.77

750235.17

1613488.67

1631189.46

410105.25

1494180.48

1164205.57

986036.08

1049611.29

Nicotinamide

40837871.37

75761991.84

32378003.49

58724150.10

44238872.99

45888458.82

46062057.83

61430359.17

1602634.62

41328858.43

NJ5000000

1567101.08

1426966.18

1951751.19

4423913.43

1921223.53

3316015.77

2037624.29

1374106.57

1617760.38

2536058.57

N-lauroylglycine

1372721.86

2048955.30

1253760.21

1119629.05

1171179.87

1475305.39

1920214.94

2100255.19

100422.25

1508564.98

N-Methylcaprolactam

5989796.37

6949431.31

1801017.77

1812281.55

5894205.53

7281639.95

1656022.14

1709830.32

1206935.70

5859224.63

N-Methylglutamate

3925165.03

12112479.59

14912070.46

12989247.31

14869899.77

9941273.37

12568553.90

5468736.89

2490631.79

7096963.52

N,N-Bis(2-hydroxyethyl)dodecanamide

3326989.32

2815079.98

1675149.42

668183.27

2003124.04

1507759.78

2533949.46

1411121.49

92469.02

1945558.82

N,N^-Dicyclohexylurea

2315294.33

6315110.55

2216714.78

2520398.33

2658162.05

2767110.35

2361496.00

2208391.84

60161.04

272057.43

N,N-Dihydroxy-L-tryptophan

2649575.89

6448783.63

3465561.42

2781199.76

2804264.58

1956025.77

3109499.06

2692339.12

155045.76

2902920.17

N,N-dimethylarginine

5996914.51

8504257.42

7927743.97

7423033.10

7506723.10

8279724.58

11919867.15

10478755.76

45211.20

7005993.51

N,N^-Diphenylguanidine

10301365.00

6972946.02

11150888.02

2510610.79

5816430.35

5768123.99

6950819.04

2906075.46

74770.45

5801297.57

N-Nonanoylglycine

47992117.32

76337603.94

34338106.47

34118328.88

41541729.78

34994236.67

56415112.97

61314553.24

1298513.54

44811412.46

Nootkatone

1067656.61

1292228.22

1260236.02

1244209.06

1078294.49

3049412.31

1236545.69

1280171.82

1445745.20

1401216.05

Norophthalmic acid

4404878.69

5709608.42

5474745.49

5049785.43

5322052.74

6216014.88

8252514.31

5979857.70

59189.46

5062976.50

NP-000124

1260717.59

2433763.75

1459229.13

1295905.70

1050713.55

867503.43

1072205.12

1345660.39

140463.68

1323300.65

NP-000615

4562839.42

5788229.47

6281863.73

5915973.55

5339179.44

9306962.48

6033007.30

6059033.82

5413671.66

5824330.31

NP-000919

985109.83

1295564.80

570406.38

445913.78

572378.41

632494.87

992688.49

814202.00

95596.07

659162.34

NP-001445

8031475.64

15185578.98

9882336.40

15914721.22

13092543.68

13870210.86

18890785.11

14178321.64

106853.96

12623023.93

NP-002322

4051894.43

4290467.79

2788289.73

2127753.32

2789990.18

2379913.88

4571979.05

5404791.13

91969.94

3820092.28

NP-002855

4582434.74

4935805.21

1206159.47

1293959.31

4735259.05

4456118.19

1270126.73

1130820.94

707587.19

5845157.94

NP-003399

50624.37

58798.07

51857.82

3640399.15

64912.70

88794.99

52535.16

51881.60

51006.68

874226.87

NP-003459

1309475.71

2837754.59

2255112.15

1742443.46

2621623.86

2246070.03

1767896.22

4127906.31

784103.42

2026184.73

NP-003672

126491.94

115055.63

72817.57

8806268.62

84460.27

141731.51

61398.22

58874.86

44819.46

1843793.19

NP-005146

3198730.53

3510069.07

975954.16

878975.00

3455066.13

3267170.59

827228.82

849120.05

502275.25

2348936.67

NP-006862

96743.48

123950.37

123352.59

1924677.10

225033.47

278908.22

260657.40

243815.86

47989.75

442797.03

NP-008993

5199901.02

3582282.83

1821688.56

522845.75

2836884.84

2447929.94

3527698.51

1662429.66

41957.22

2530466.97

NP-011548

69811368.58

62612750.58

37561865.45

18116859.58

39087388.73

48913512.16

48452509.28

50993594.25

6469107.90

51295071.90

NP-014175

133113.48

195429.48

122002.22

2628870.53

173000.50

666314.33

157960.76

173072.00

105044.62

485779.24

NP-014287

7397907.29

6276194.27

4270832.67

2674674.38

3121906.55

4241858.07

5874968.28

7684623.46

321535.20

5614123.05

NP-018661

569010.03

1138186.99

626780.09

631895.34

530741.67

478487.92

838680.63

1045990.94

63816.21

689362.54

NP-018716

3134766.77

6024809.22

2684692.22

3375074.19

2957528.50

3786684.61

3245375.63

4874095.40

731200.60

3094513.76

NP-019360

205543.03

579755.56

403209.22

892474.78

453126.63

1062571.29

410287.19

1052565.59

94393.45

228182.82

NP-020214

11576759.98

14204654.36

3624399.42

3873806.93

12017727.34

14241809.03

3364391.13

4008001.74

2516987.30

8479957.35

NP-020521

10331841.58

9623667.79

8386744.97

11183632.50

4874822.40

11098628.68

10246195.83

14501439.90

958858.53

9591689.92

NP-021844

6749588.43

7675754.14

8044855.07

7920586.40

7038098.29

21392794.34

7672621.39

7858889.42

8864407.48

7821949.97

N-pentylpantothenamide

588459.01

1136909.75

336589.74

381886.72

509876.17

319977.32

612834.04

962745.70

21590.12

534418.75

N(tau)-Methyl-L-histidine

2679271.31

4482998.30

3980458.73

4031254.73

3325589.11

5610252.86

5157170.77

6906455.64

41107.34

3368855.70

N-(tert-Butoxycarbonyl)-L-leucine

2675013.98

4538009.29

1544573.30

1301805.85

1428067.21

1414799.13

3020789.67

2671208.51

112301.98

2003233.19

N-Tridecanoylglycine

1528632.35

2190490.51

1697289.67

1505449.11

1395496.16

2016266.47

3648033.69

2477160.22

188724.39

2817851.26

N-Undecanoylglycine

23325859.41

28441841.97

35948048.40

32237237.73

22171234.65

36575742.87

122421490.37

52216468.95

4464690.35

39370434.25

nylon cyclic dimer

957012.52

1123455.91

1274953.15

1041454.35

952713.44

3384720.39

1076229.29

1076341.79

1306626.22

1186997.45

octadec-9-ynoic acid

61217840.84

57739084.17

41960037.23

26300358.87

17265054.22

23942827.94

40727674.93

80065219.78

433188.67

43450561.16

Octodrine

2146865.03

2611569.61

2050113.19

1867030.13

1940727.16

1763073.98

1590530.06

2365789.44

952870.72

1154673.08

ON1225000

455430.98

1086114.17

659435.86

1144511.13

885410.82

1393451.08

702812.14

1601239.42

166306.47

434709.10

Orcinol

662329.20

2690349.92

1575960.92

2002139.49

1941359.62

2742017.00

1408928.08

4265917.93

283234.94

579621.32

ostruthin

48684.05

65160.03

41131.87

1413808.75

82323.58

108185.32

117103.96

101457.65

35310.73

283162.12

Oxepanone

10150635.98

7861388.54

8627123.14

5282698.20

8781564.91

6586483.61

7316866.47

4596201.52

688346.30

11466486.83

Palmitic Acid

1873941.79

2319291.43

2238057.70

2042259.25

2193199.55

6572690.15

2343775.25

2117656.21

2193803.82

2358980.45

Palmitoleic acid

1362084.72

1868906.30

449128.94

673706.01

1304520.95

2146090.25

705872.26

973871.82

259737.20

1072937.19

Panthenol

5613666.18

6545924.89

6976840.11

6574208.40

7422435.83

13880733.79

6456193.99

6539702.77

13210210.34

7100441.13

Panthenyl ethyl ether

382485.72

533715.84

482234.00

496018.57

468233.12

1146159.52

538335.01

528684.70

519401.12

15887458.05

PEG-4

21670182.07

44110355.09

36203715.85

33328334.59

26962536.12

49884476.83

24030140.57

34116367.62

12352336.19

29852408.56

PEG n10

821046.02

821036.22

696089.86

789105.39

615558.37

3054008.68

1028722.08

817902.37

175032.56

28370612.60

PEG n11

553062.77

543600.49

489055.60

564278.05

380923.78

2008552.47

725284.03

556355.67

119649.25

17378997.57

PEG n12

369605.41

377919.44

319148.37

402012.31

250937.24

1194158.05

530828.04

380325.85

80234.36

10657658.38

PEG n13

236119.37

238730.68

196589.89

271183.67

146171.44

650149.99

328803.36

229582.26

49964.14

4755271.21

PEG n5

8903031.59

13703149.12

10193025.01

11451040.01

8964789.69

42968797.23

8674694.94

14134039.98

3391416.96

11608381.45

PEG n6

6614118.96

8115473.06

6161008.83

5729462.45

5899017.44

46019982.08

5757498.02

7775202.92

2341345.05

48409791.23

PEG n7

3968045.47

5310666.47

3237795.67

3792372.13

3408296.79

15281930.59

4374909.36

4691998.36

1359064.53

87046300.66

PEG n8

74123642.49

163411173.87

101182816.34

118998241.52

121404321.75

153127726.13

146524764.23

187619375.09

706811.84

141345693.51

PENICILLIC ACID

167156.51

492218.49

403598.54

844791.89

394993.23

979258.39

421750.20

893906.84

198581.83

173181.38

Pentahomoserine

566720985.33

788906170.65

619356651.06

813429257.36

691397832.14

651437081.31

684123603.33

565905393.43

761935.31

643152664.74

Phenol, 2-(3,7-dimethylocta-2,6-dienyl)-

343688.43

395809.65

408488.73

405373.65

375074.56

1209531.47

338268.44

416640.86

578337.68

400979.03

Phenylacetylglycine

16565812.10

4229657.90

14456768.01

3450891.21

15604569.37

3620679.19

43983015.17

8137020.07

69840.47

11784764.85

Phenylisocyanate

2239524.36

2332025.66

1785170.35

1989438.65

2554527.51

2527710.29

1729577.34

1732932.29

29622.60

1443082.59

p-Hydroxybenzalacetone

8552781.27

9513784.56

9413029.06

8691125.91

8903808.51

13607269.13

9880306.20

9671974.59

11538212.04

10061180.01

Pinocembrin

88830.23

440133.60

50598.75

748858.55

172957.04

189978.35

64784.75

140440.75

53595.70

110249.51

Pipecolic acid

360096843.35

510640009.69

469862424.94

553475913.33

385744514.68

527961586.19

483674008.03

519366741.92

3288743.44

436351037.38

piperidinecarboxylic acid

2717598.62

1137065.47

2092217.10

1743220.05

1420505.57

1160324.58

1905522.93

1575801.96

1629096.79

2029467.90

Piperonylonitrile

1357005.54

2332487.74

1580002.13

1860107.54

1704194.47

1801813.90

3440599.06

3710290.52

58067.31

2783346.38

Pivagabine

357016186.20

545155972.80

249783380.79

240478989.92

279639044.38

236353334.31

383160469.95

416677658.04

9245416.08

331165694.90

p-menth-3-ene

249029.80

259939.65

238265.30

250317.39

228671.32

795924.42

266595.02

277677.38

286572.61

292229.88

(+)-podocarpic acid

33920.65

160920.96

149655.98

4747617.49

147238.78

226536.63

280442.18

183268.63

105503.53

712119.06

PPG n5

1099438.16

2092785.66

1633101.76

1469991.24

1246990.72

1929404.49

1408169.79

3877454.17

410157.74

1010752.32

PPG n6

564388.26

728053.15

405830.56

408660.31

304088.26

885819.18

352037.96

3401197.57

140496.37

413741.01

Precocene II

6588781.50

8180181.36

7895757.17

7698993.53

7100721.91

22783966.04

7409864.53

7328332.18

9503263.61

8143282.64

Pregabalin

7965533.54

5032466.35

3620461.65

2258036.35

3735774.27

2604424.29

3998838.68

5327467.72

88044.28

5025500.08

pro-asn

1790463.20

570694.31

608060.12

446544.68

1651363.04

16381880.51

436088.56

4146539.26

73966.15

439981.37

Prolylleucine

7609499.72

31568304.65

65805019.82

37016079.09

31619646.80

16983994.16

40854982.91

16810325.77

760509.90

3086471.19

Pseudoconhydrine

1004761.23

863992.41

825769.12

686126.36

674268.27

775231.17

807387.59

1679662.73

662146.83

1132747.50

Pseudomonas quinolone signal

1405044.49

1933864.07

1315870.03

1701406.71

1281888.48

1690234.84

1480325.49

1547440.36

68279.66

178299.24

Pumiliotoxin 251D

4495434.39

5508104.76

3521717.67

1814161.00

1889609.08

2227783.42

5334394.37

8031331.45

46081.20

4001142.89

Pyridoxamine

48944008.17

89889881.82

73524107.52

75760277.01

75543181.21

76200226.17

88688535.49

97493520.11

215528.55

86468361.93

Pyrone

6417612.88

10239306.43

8276436.02

9131586.15

9221138.62

7739860.35

10843625.47

11129621.38

110629.70

8819366.45

QS4476500

124362264.86

120558040.10

116493168.22

114223262.43

158880420.56

198719949.71

183760443.51

183714673.96

231394.04

154874385.66

(R)-3-Hydroxy myristic acid

5303039.80

7600920.72

5573573.74

5853398.82

6229522.65

12488120.11

5162392.89

7715409.78

4193465.52

8033821.72

(R)-4^^-methoxydalbergione

183597.99

679565.66

429650.21

321572.63

266460.81

238427.69

415519.85

389160.28

49512.91

270180.23

Ricinoleic Acid

1558585.80

2170847.30

1277061.69

783239.18

1569567.77

1436100.21

1488546.95

1348731.96

146190.47

1249145.88

Salidroside

2052397.29

2509097.89

1311781.61

1294705.97

2438718.56

2593618.10

1321768.47

1378940.90

182526.80

1926138.36

(S)-(+)-allantoin

10582419.20

13315835.26

12519185.31

10079735.80

12164724.10

11220311.78

17631736.83

15245590.86

56069.55

12779979.37

S-Allyl-L-cysteine

2660801.76

3569217.13

4388927.95

6397772.73

2762367.32

5293952.57

8030351.83

10999896.72

103447.53

5761960.87

Sebacic acid

3569566.12

6951778.07

3535914.72

3386320.18

3802985.01

4814386.63

4765734.11

6979101.28

1233002.78

4638367.13

Serotonin

4196981.93

7771835.28

2144524.13

4772184.64

5967128.06

7697638.52

5850302.24

6284162.70

56699.67

6271723.02

Shogaol

237004.08

327750.48

267812.45

6363707.57

318056.39

297496.79

678639.37

725331.69

77151.37

1619466.34

SL7524000

10746010.21

14902839.25

5749739.90

4178903.98

6591288.09

5138292.91

11780650.40

7907872.57

412542.38

7886559.21

Sorbic acid

11605108.61

11613941.39

4046162.22

4801471.09

12828506.14

14058328.79

4117241.59

4786197.25

1468117.67

7559930.40

Styrene

7262962.93

7209740.19

4472107.71

4438375.74

7092444.97

8532123.97

4393493.74

4281120.88

1080684.37

5999708.89

Succinimide

120534782.09

8554100.42

26218686.86

29361572.56

11811759.77

47000644.69

27658405.01

79656261.00

40053103.94

51044772.31

Sulcatol

37598019.72

43462105.30

10636570.82

9640020.60

34535637.87

37552098.65

10226559.97

9823195.78

8050997.05

39178298.16

Tasimelteon

3029936.28

5184096.32

3409586.24

3897218.75

3081006.72

3474258.58

3945419.55

4073174.86

63603.09

206704.95

Taurochenodeoxycholic acid

1201612.62

3574965.20

2460490.13

2178935.06

1965445.34

1764769.72

1459550.59

1611488.22

45210.57

2555209.10

Taurocholic acid

798996.62

3624516.04

266960.52

336207.43

2913652.46

924870.26

452215.39

1595517.80

68676.71

1685284.19

testololactone

51676.83

50589.80

42256.77

1132088.85

43845.54

82149.00

45269.15

46101.36

43992.38

219658.84

Testosterone

268448.34

282230.82

265393.54

266021.00

1203161.87

1122584.54

1118593.65

848157.73

40474.58

662490.34

Tetraacetylethylenediamine

9193294.05

10392958.07

8433816.69

7560079.51

10187452.75

12822687.68

16163731.93

12908702.54

68538.87

9340191.73

Tetramethylurea

529760.51

994480.94

418033.67

664820.86

365129.97

810884.67

787032.18

1167354.79

106448.15

67491061.32

Tetranor-12(S)-HETE

1528415.20

1653915.28

1131803.19

1516236.26

1713835.39

2566887.42

2239066.03

2438327.48

409712.49

1855711.24

Texanol

382102.97

579040.78

537689.54

490509.58

444536.51

1258208.95

588747.71

598578.15

560464.11

719336.45

Thiorphan

285908.43

283754.93

1179612.88

739248.03

644127.45

421426.81

658170.62

160620.66

24989.59

534167.97

THREO-SPHINGOSINE, (-)-

3256519.00

3333171.63

2264708.97

2683924.73

1880819.74

1951680.87

2507212.15

3338831.57

681337.91

2705053.23

Thymidine

9733587.80

15333191.13

16348130.58

17407120.52

12042115.73

16065688.99

16414103.29

17198442.50

109094.89

13756678.21

Thymine

20952931.48

28707928.32

29698059.47

33265609.55

24251137.71

28386203.05

31072814.63

33025123.10

49037.45

25539559.68

TO0127900

1160798.13

1583620.99

678734.30

602897.69

707127.20

586836.63

1184819.46

1748612.98

48839.71

962965.09

Tranexamic acid

981440.81

373713.17

367663.88

249123.46

278779.10

338792.99

340713.56

343945.85

368948.56

2025591.49

Traumatic Acid

3106378.91

7548355.07

3336201.94

5565074.37

4262870.17

4206268.41

2631017.83

5748909.44

776118.62

4646967.02

Traumatin

42084483.72

48434224.07

9855176.90

10051453.76

43677990.67

48874693.37

9524759.79

9887704.62

7891237.96

28150778.16

Triethylamine

1917273.90

8544345.26

15031227.56

6875272.62

8806957.73

2403644.59

33219519.57

67763769.90

433329.44

1236667.12

Triisopropanolamine

51824878.28

34726710.27

56812142.64

13648915.05

53544365.35

25326652.13

45681768.70

15582507.43

1076387.04

34916342.46

Trolox

4866813.28

6327877.32

6317357.73

5963310.76

5712290.14

15405016.84

6084859.50

6424660.59

8100195.06

5989467.70

Tyramine

335001.30

533219.69

427677.91

1308066.86

862889.45

688667.37

530289.13

1100775.68

49177.65

392628.99

undecenal

3420327.36

5678436.65

2546049.55

3497461.43

5115334.69

7285360.21

2253798.29

3339268.96

444257.37

2488338.64

UNII:596C064IG4

5188123.72

4202501.37

2050207.09

2502705.91

4535487.48

6013236.17

1557065.06

1888481.36

1785321.30

3386141.31

UQ1000000

22878324.66

32465325.94

24979954.89

29803531.39

24606957.16

24837530.89

32743866.11

35959614.06

305664.40

22867347.37

Uracil

3937851.39

2782839.54

2189880.64

1286017.99

3726420.59

1235826.30

4039317.04

247451.73

155692.75

6093764.74

Ureidopropionic acid

7746036.26

13404085.30

8987803.57

11337506.65

10781860.33

15414380.40

13510081.70

15367500.59

1469432.48

11403464.16

Uric acid

27943761.77

2285149.90

1496501.24

2338555.02

4566127.75

5122617.43

1551503.29

2663930.36

42864.99

18439774.47

UV9702000

6835907.59

11215729.65

5982071.61

103021967.19

12390111.03

12044066.48

52517093.34

7232491.03

9591871.89

8216090.13

Valerophenone

5277736.75

5963444.55

5879130.98

5620670.18

5527867.65

15981993.14

5829412.58

5754779.27

6530903.48

5750737.20

Valine

337541584.26

475461240.00

402835623.21

451114774.75

389858840.17

550703913.36

423368263.72

484289001.84

576456.74

397733456.07

val-phe

214512.32

391131.85

276070.91

334981.19

307279.41

337058.98

1610989.92

2583176.96

37154.38

778641.07

Valproic acid

638585.70

349592.44

560276.33

327173.50

694022.83

1091449.69

1487982.20

7829208.67

276408.65

1364688.68

Vanillin

2779980.88

3151211.90

3001175.65

3204046.16

3008327.70

3262149.52

3161469.70

2860009.51

480535.75

1823378.70

XT2570000

1476259.08

2122900.44

1554957.41

1663223.76

1159218.99

1395947.97

2071504.69

2256744.95

51340.93

7847058.00

Data for ST002758

Factors:

F1	Treatment:HS14 \| Source:Artery Plasma
F2	Treatment:HS14 \| Source:Vein Plasma
F3	Treatment:HS21 \| Source:Artery Plasma
F4	Treatment:HS21 \| Source:Vein Plasma
F5	Treatment:HS7 \| Source:Artery Plasma
F6	Treatment:HS7 \| Source:Vein Plasma
F7	Treatment:LS \| Source:Artery Plasma
F8	Treatment:LS \| Source:Vein Plasma
F9	Treatment:n/a \| Source:n/a
F10	Treatment:Plasma Pool \| Source:Plasma Pool