#METABOLOMICS WORKBENCH Zzm_20251107_181827 DATATRACK_ID:6639 STUDY_ID:ST004350 ANALYSIS_ID:AN007261 PROJECT_ID:PR002759
VERSION             	1
CREATED_ON             	November 14, 2025, 2:01 pm
#PROJECT
PR:PROJECT_TITLE                 	Untargeted metabolomic analysis of the metabolic effects of HADHB lysine 292
PR:PROJECT_TITLE                 	succinylation and desuccinylation
PR:PROJECT_SUMMARY               	HADHB succinylation status variations may influence metabolic states. We
PR:PROJECT_SUMMARY               	generated stable H9C2 rat cardiomyocyte cell lines expressing HADHB mutants.
PR:PROJECT_SUMMARY               	Untargeted metabolomics revealed that the succinylation and desuccinylation
PR:PROJECT_SUMMARY               	states at lysine 292 of HADHB may affect the Beta Oxidation of Very Long Chain
PR:PROJECT_SUMMARY               	Fatty Acids.
PR:INSTITUTE                     	Nanchang University Second Affiliated Hospital
PR:LAST_NAME                     	Zeng
PR:FIRST_NAME                    	Zhimin
PR:ADDRESS                       	nanchang, nanchang, jiangxi, 330006, China
PR:EMAIL                         	2zm@163.com
PR:PHONE                         	15979727903
#STUDY
ST:STUDY_TITLE                   	The metabolic effects of succinylation and desuccinylation of HADHB at lysine
ST:STUDY_TITLE                   	292
ST:STUDY_SUMMARY                 	To elucidate the metabolic effects of succinylation and desuccinylation at
ST:STUDY_SUMMARY                 	lysine 292 (K292) of HADHB, we generated stable H9C2 rat cardiomyocyte cell
ST:STUDY_SUMMARY                 	lines expressing HADHB mutants. Specifically, lysine 292 was substituted with
ST:STUDY_SUMMARY                 	arginine (K292R) to mimic the desuccinylated state and with glutamic acid
ST:STUDY_SUMMARY                 	(K292E) to mimic the negatively charged succinylated modification. Non-targeted
ST:STUDY_SUMMARY                 	metabolomic profiling was performed on three groups—wild-type (WT),
ST:STUDY_SUMMARY                 	desuccinylation-mimic (K292R), and succinylation-mimic (K292E)—with six
ST:STUDY_SUMMARY                 	biological replicates per group. The metabolomic analysis revealed that
ST:STUDY_SUMMARY                 	succinylation at K292 of HADHB in cardiomyocytes leads to distinct metabolic
ST:STUDY_SUMMARY                 	alterations, particularly affecting the fatty acid β-oxidation pathway.
ST:INSTITUTE                     	Nanchang University Second Affiliated Hospital
ST:LAST_NAME                     	Zeng
ST:FIRST_NAME                    	Zhimin
ST:ADDRESS                       	nanchang, nanchang, jiangxi, 330006, China
ST:EMAIL                         	2zm@163.com
ST:PHONE                         	15979727903
ST:NUM_GROUPS                    	3
ST:TOTAL_SUBJECTS                	6
#SUBJECT
SU:SUBJECT_TYPE                  	Mammal
SU:SUBJECT_SPECIES               	Rattus norvegicus
SU:TAXONOMY_ID                   	10116
SU:GENOTYPE_STRAIN               	HADHB-K292R、HADHB-K292E
#SUBJECT_SAMPLE_FACTORS:         	SUBJECT(optional)[tab]SAMPLE[tab]FACTORS(NAME:VALUE pairs separated by |)[tab]Raw file names and additional sample data
SUBJECT_SAMPLE_FACTORS           	C1	C1	Sample source:H9C2 cells | Genotype:Wild-type	RAW_FILE_NAME(Raw file name)=C1.mzML
SUBJECT_SAMPLE_FACTORS           	C2	C2	Sample source:H9C2 cells | Genotype:Wild-type	RAW_FILE_NAME(Raw file name)=C2.mzML
SUBJECT_SAMPLE_FACTORS           	C3	C3	Sample source:H9C2 cells | Genotype:Wild-type	RAW_FILE_NAME(Raw file name)=C3.mzML
SUBJECT_SAMPLE_FACTORS           	C4	C4	Sample source:H9C2 cells | Genotype:Wild-type	RAW_FILE_NAME(Raw file name)=C4.mzML
SUBJECT_SAMPLE_FACTORS           	C5	C5	Sample source:H9C2 cells | Genotype:Wild-type	RAW_FILE_NAME(Raw file name)=C5.mzML
SUBJECT_SAMPLE_FACTORS           	C6	C6	Sample source:H9C2 cells | Genotype:Wild-type	RAW_FILE_NAME(Raw file name)=C6.mzML
SUBJECT_SAMPLE_FACTORS           	R1	R1	Sample source:H9C2 cells | Genotype:HADHB-K292R	RAW_FILE_NAME(Raw file name)=R1.mzML
SUBJECT_SAMPLE_FACTORS           	R2	R2	Sample source:H9C2 cells | Genotype:HADHB-K292R	RAW_FILE_NAME(Raw file name)=R2.mzML
SUBJECT_SAMPLE_FACTORS           	R3	R3	Sample source:H9C2 cells | Genotype:HADHB-K292R	RAW_FILE_NAME(Raw file name)=R3.mzML
SUBJECT_SAMPLE_FACTORS           	R4	R4	Sample source:H9C2 cells | Genotype:HADHB-K292R	RAW_FILE_NAME(Raw file name)=R4.mzML
SUBJECT_SAMPLE_FACTORS           	R5	R5	Sample source:H9C2 cells | Genotype:HADHB-K292R	RAW_FILE_NAME(Raw file name)=R5.mzML
SUBJECT_SAMPLE_FACTORS           	R6	R6	Sample source:H9C2 cells | Genotype:HADHB-K292R	RAW_FILE_NAME(Raw file name)=R6.mzML
SUBJECT_SAMPLE_FACTORS           	E1	E1	Sample source:H9C2 cells | Genotype:HADHB-K292E	RAW_FILE_NAME(Raw file name)=E1.mzML
SUBJECT_SAMPLE_FACTORS           	E2	E2	Sample source:H9C2 cells | Genotype:HADHB-K292E	RAW_FILE_NAME(Raw file name)=E2.mzML
SUBJECT_SAMPLE_FACTORS           	E3	E3	Sample source:H9C2 cells | Genotype:HADHB-K292E	RAW_FILE_NAME(Raw file name)=E3.mzML
SUBJECT_SAMPLE_FACTORS           	E4	E4	Sample source:H9C2 cells | Genotype:HADHB-K292E	RAW_FILE_NAME(Raw file name)=E4.mzML
SUBJECT_SAMPLE_FACTORS           	E5	E5	Sample source:H9C2 cells | Genotype:HADHB-K292E	RAW_FILE_NAME(Raw file name)=E5.mzML
SUBJECT_SAMPLE_FACTORS           	E6	E6	Sample source:H9C2 cells | Genotype:HADHB-K292E	RAW_FILE_NAME(Raw file name)=E6.mzML
#COLLECTION
CO:COLLECTION_SUMMARY            	H9C2 cells were purchased from Pronova (Punosai/Pronova-style naming), and a
CO:COLLECTION_SUMMARY            	lentiviral system designed by Hanheng was used to introduce a lysine-to-arginine
CO:COLLECTION_SUMMARY            	mutation at position 292 in HADHB (K292R) to generate a non-succinylated mutant,
CO:COLLECTION_SUMMARY            	and a lysine-to-glutamate mutation at the same site (K292E) to mimic
CO:COLLECTION_SUMMARY            	succinylation. Stable cell lines were established for HADHB-K292R
CO:COLLECTION_SUMMARY            	(non-succinylated mutant) and HADHB-K292E (succiny-lation-mimetic). Seed six
CO:COLLECTION_SUMMARY            	replicates per group from three growth conditions into 10 cm culture dishes.
CO:COLLECTION_SUMMARY            	When the cells reach confluence, wash 2–3 times with pre-chilled PBS, add 1 mL
CO:COLLECTION_SUMMARY            	of chromatography-grade methanol to each dish, detach the cells with a scraper,
CO:COLLECTION_SUMMARY            	and transfer them to a 2 mL cryovial. Snap-freeze in liquid nitrogen for 15
CO:COLLECTION_SUMMARY            	minutes and then store at −80°C. Non-targeted metabolomics sequencing was
CO:COLLECTION_SUMMARY            	performed on the three groups.
CO:SAMPLE_TYPE                   	Rat H9C2 cell line
#TREATMENT
TR:TREATMENT_SUMMARY             	No treatment.
#SAMPLEPREP
SP:SAMPLEPREP_SUMMARY            	A 500 μL solution (Methanol: Water = 4:1, V/V) containing internal standard was
SP:SAMPLEPREP_SUMMARY            	added into the sample and vortexed for 3 min. The sample was placed in liquid
SP:SAMPLEPREP_SUMMARY            	nitrogen for 5 min and on the dry ice for 5 min, and then thawed on ice and
SP:SAMPLEPREP_SUMMARY            	vortexed for 2 min. This freeze-thaw circle was repeated three times in total.
SP:SAMPLEPREP_SUMMARY            	The sample was centrifuged at 12000 rpm for 10 min (4 °C). All of the
SP:SAMPLEPREP_SUMMARY            	supernatant was transferred and concentrated. A 100 μL solution (Methanol:
SP:SAMPLEPREP_SUMMARY            	Water = 7:3, V/V) was used to reconstitute the sample. Then the sample was
SP:SAMPLEPREP_SUMMARY            	vortexd for 3 minutes, and sonicate for 10 minutes in an ice bath. The sample
SP:SAMPLEPREP_SUMMARY            	was then centrifuged at 12000 rpm for 3 min (4 °C). A 80 μL aliquots of
SP:SAMPLEPREP_SUMMARY            	supernatant were transferred for LC-MS analysis.
#CHROMATOGRAPHY
CH:CHROMATOGRAPHY_SUMMARY        	All samples were for two LC/MS methods. One aliquot was analyzed using positive
CH:CHROMATOGRAPHY_SUMMARY        	ion conditions and was eluted from T3 column (Waters ACQUITY Premier HSS T3
CH:CHROMATOGRAPHY_SUMMARY        	Column 1.8 µm, 2.1 mm * 100 mm) using 0.1 % formic acid in water as solvent A
CH:CHROMATOGRAPHY_SUMMARY        	and 0.1 % formic acid in acetonitrile as solvent B in the following gradient: 5
CH:CHROMATOGRAPHY_SUMMARY        	to 20 % in 2 min, increased to 60 % in the following 3 mins, increased to 99 %
CH:CHROMATOGRAPHY_SUMMARY        	in 1 min and held for 1.5 min, then come back to 5 % mobile phase B witnin 0.1
CH:CHROMATOGRAPHY_SUMMARY        	min, held for 2.4 min. The analytical conditions were as follows, column
CH:CHROMATOGRAPHY_SUMMARY        	temperature, 40 °C; flow rate, 0.4 mL/min; injection volume, 4 μL; Another
CH:CHROMATOGRAPHY_SUMMARY        	aliquot was using negative ion conditions and was the same as the elution
CH:CHROMATOGRAPHY_SUMMARY        	gradient of positive mode.
CH:CHROMATOGRAPHY_TYPE           	Reversed phase
CH:INSTRUMENT_NAME               	Thermo Vanquish
CH:COLUMN_NAME                   	Waters ACQUITY UPLC HSS T3 (100 x 2.1mm,1.8um)
CH:SOLVENT_A                     	100% water; 0.1% acetic acid
CH:SOLVENT_B                     	100% acetonitrile; 0.1% acetic acid
CH:FLOW_GRADIENT                 	0–2 min: 5%–20% B; 2–5 min: 20%–60% B; 5–6 min:
CH:FLOW_GRADIENT                 	60%–99% B; 6–7.5 min: 99% B; 7.5–7.6 min: 99%–5% B;
CH:FLOW_GRADIENT                 	7.6–10 min: 5% B (re-equilibration)
CH:FLOW_RATE                     	0.4 mL/min
CH:COLUMN_TEMPERATURE            	40
CH:CHROMATOGRAPHY_COMMENTS       	Reversed-phase separation was performed on a Waters ACQUITY UPLC HSS T3 column
CH:CHROMATOGRAPHY_COMMENTS       	(1.8 µm, 2.1 × 100 mm). The mobile phases consisted of (A) water with
CH:CHROMATOGRAPHY_COMMENTS       	0.1% formic acid and (B) acetonitrile. The flow rate was 0.3 mL/min. The
CH:CHROMATOGRAPHY_COMMENTS       	gradient started at 2% B, increased linearly to 98% B over 15 min, held
CH:CHROMATOGRAPHY_COMMENTS       	for 2 min, and then returned to initial conditions for re-equilibration. The
CH:CHROMATOGRAPHY_COMMENTS       	column temperature was maintained at 40 °C, and the injection volume was
CH:CHROMATOGRAPHY_COMMENTS       	2 µL.
#ANALYSIS
AN:ANALYSIS_TYPE                 	MS
#MS
MS:INSTRUMENT_NAME               	Thermo Q Exactive HF-X Orbitrap
MS:INSTRUMENT_TYPE               	Orbitrap
MS:MS_TYPE                       	ESI
MS:ION_MODE                      	POSITIVE
MS:MS_COMMENTS                   	All the methods alternated between full scan MS and data dependent MSn scans
MS:MS_COMMENTS                   	using dynamic exclusion. MS analyses were carried out using electrospray
MS:MS_COMMENTS                   	ionization in the positive ion mode and negative ion mode using full scan
MS:MS_COMMENTS                   	analysis over m/z 75-1000 at 35000 resolution. Additional MS settings are: ion
MS:MS_COMMENTS                   	spray voltage, 3.5 KV or 3.2 KV in positive or negative modes, respevtively;
MS:MS_COMMENTS                   	Sheath gas (Arb), 30; Aux gas, 5; Ion transfer tube temperature, 320 °C;
MS:MS_COMMENTS                   	Vaporizer temperature, 300 °C; Collision energy, 30,40,50 V; Signal Intensity
MS:MS_COMMENTS                   	Threshold, 1*e6 cps; Top N vs Top speed, 10; Exclusion duration, 3s.
#MS_METABOLITE_DATA
MS_METABOLITE_DATA:UNITS	Peak Area
MS_METABOLITE_DATA_START
Samples		R1	R2	R3	R4	R5	R6	E1	E2	E3	E4	E5	E6	C1	C2	C3	C4	C5	C6
Factors	Sample source:H9C2 cells | Genotype:HADHB-K292R	Sample source:H9C2 cells | Genotype:HADHB-K292R	Sample source:H9C2 cells | Genotype:HADHB-K292R	Sample source:H9C2 cells | Genotype:HADHB-K292R	Sample source:H9C2 cells | Genotype:HADHB-K292R	Sample source:H9C2 cells | Genotype:HADHB-K292R	Sample source:H9C2 cells | Genotype:HADHB-K292E	Sample source:H9C2 cells | Genotype:HADHB-K292E	Sample source:H9C2 cells | Genotype:HADHB-K292E	Sample source:H9C2 cells | Genotype:HADHB-K292E	Sample source:H9C2 cells | Genotype:HADHB-K292E	Sample source:H9C2 cells | Genotype:HADHB-K292E	Sample source:H9C2 cells | Genotype:Wild-type	Sample source:H9C2 cells | Genotype:Wild-type	Sample source:H9C2 cells | Genotype:Wild-type	Sample source:H9C2 cells | Genotype:Wild-type	Sample source:H9C2 cells | Genotype:Wild-type	Sample source:H9C2 cells | Genotype:Wild-type
L-Phenylalanine		1107401592	1226688572	770157105.6	621505501.4	1444755893	408580351.6	679759304.7	1656438757	648968147.7	1190362536	983930690.8	860197230.9	3116946354	4012895186	3556438302	1066548724	1463856837	1372626883
2-Amino-1-phenylethanol		38487951.51	39412454.78	17312450.94	2122358.14	16498390.6	10617415.66	10099618.91	32012986.25	23374180.7	20805626.83	12438743.07	11224500.36	33393122.18	37298542.3	47580092.89	5252850.31	16936105.36	5294264.92
Nadide		114329506.8	113977503.5	79413371.47	99150246.61	150763678.2	86865058.82	96631598.87	125370421.1	85429290.93	131091374.2	140447269.1	134130326	115081826.7	108592642	99774305.9	131949177	130481931.4	109268381.6
L-Proline		835505562.9	764608253.4	474753731.4	368399266.7	783248096.9	473254055.6	275549924.5	414168900.2	822164467.3	530504710	477341996.2	435712935.8	1307319788	1565844661	1354427947	601396994.5	696932796.1	638973125.9
Niacinamide		514224824.1	543602302.6	353418912.8	427909109.4	579664947.8	304847928.6	319387935.4	470198417.3	338254790.8	441120467.1	436520974.1	450547043.8	1308743289	2019456739	1797655841	450176334.4	566668660.7	509899672.3
L-Valine		365642566.5	427502880	279052493.1	243025736.7	721653990.6	533345716.5	271528952.1	397552540.1	341941632.8	379861483.7	338907758.2	540366063.3	883726584.8	1115060514	1068319737	662423706.2	414651656.2	393000056.6
Choline		277903699.8	334064466.6	229362668.1	428506126.9	588373133.8	507543817	232791346	1526193288	265492856.6	557049068.3	546802513.4	511361970.1	286868128.4	1385462613	940824058.1	723233460.4	1147400285	969466830.3
3,4-Dihydroxymandelic acid		25661612.6	1052324.64	51855557.74	41221954.28	110474584.9	918828.34	60276922.38	49020175.37	79558450.13	44486006.45	581918.84	39667485.32	26895235.75	57953361.33	57060563.51	60274548.89	363331737.3	1076267
Thiamine		39653893.14	40708822.94	24374107.05	93437369.83	137752537.3	57606404.51	30198478.35	49663815.96	31385529.22	182957341	133929186	150353657.1	182797742.7	185450608.9	225544119.3	192970373.5	144799658.5	118383175.8
1-Methylnicotinamide		166081224.2	162836122.3	148493078.8	91608008.13	130057378.1	109573061	174597827.7	137399831.4	157568877.4	146988244.2	161014052.3	147712230.2	178781576.6	137708999.5	139794965.3	156014214.4	110250724.3	115511462.1
Lumichrome		143561869	174932362.9	112162737.4	193139474.6	383004994.6	122665065.2	149828575.6	305482505.2	123866065.5	298190433.9	274265923.3	264003823.1	275845857.7	314995766.3	340222239.3	336716587.6	320518425.9	257408952.4
Spermine		22813736.54	44953988.92	11074209.84	67994962.16	106085389.7	5809016.95	14326195.08	100387135.5	6939097.17	103028834.9	86111293.41	64431278.33	54274527.05	64157309.74	77414220.89	85382368.89	259436797.8	108795453.1
L-Tyrosine		2060187287	2129825731	1320681525	1231669090	2077647821	824130237.2	1284934150	2389847850	1234099279	2164048247	1881382109	1734822814	4367326676	4784417003	5124066836	1992268627	2352480854	2043952699
Ornithine		4903233.19	4068671.29	2544587.01	4238839.04	5640893.1	1889792.98	6013856.97	10747970.4	9089486.96	2531231.24	1060807.83	3012962.14	36695644.81	49863083.68	58577020.74	2071863.47	6820355.14	8206828.76
Acetyl-L-carnitine		22420817.71	21576749.12	12873373.4	16554312.49	33837725.26	11337672.43	11628516.39	26025028.06	11064025.1	48552509.62	33603199.75	28204287.4	45795715.2	67258783.13	63084347.56	55996644.93	49146598.48	40359637.44
Hexaethylene glycol		61015533.32	46212835.82	37052750.78	108631618.7	180973085.8	72706055.41	36549296.46	39594268.7	27908754.04	172377787.5	129431061.4	166295840.9	69150038.95	31157251.26	40026960.98	124349498.7	141689360.3	133297815.7
2-Naphthol		194322688.8	111437032.5	24973254.81	76528422.03	83699977.57	465050860.7	61537556.09	54862010.9	45936037.29	49352341.1	75849425.45	48502471.14	107724095.4	33416859.1	32884253.52	21468193.58	117202743.5	36105048.68
L-Threonine		234752340.4	162237322.9	212354685.5	104580769.1	116137006.3	160718664.5	210351701.7	141289841.4	218645117.8	125321179.2	100270635	86529063.67	194125759.7	250409959.9	205901150.4	121738689.7	95904797.14	95537496.42
Spermidine		373468300.9	648200808.7	135758979.2	464401911.8	1194620658	103518416	229262042.2	853086950.9	136110779.9	565904386.5	801609527.7	412684334.3	458766124.6	642549271.2	1032181969	572786725.6	1149052747	794243934.6
Epsilon-caprolactam		482920276.3	367143796.2	256648060.4	349420261	277496605	189549132.4	236585562.2	450180802.7	215273069.5	184170861.3	212479034.5	411420291.9	533006246.4	353383507.5	401892909.6	209213572.8	271136883.2	430276487.4
Oxiglutatione		53141451.91	51907389.2	43674204.08	41848674.36	53835042.25	37514748.08	50867067.88	53146441.42	45517597.44	54877660.9	46955384.11	43352099.57	51462878.94	52836259.24	44279040.9	54429706.96	47864558.67	43588341.74
Pyrrolidine		19352570.8	34328954.37	10253393.21	25106267.07	30228983.85	25268449.05	59126133.56	78930858.54	10705998.29	39521811.98	51933984.89	52664022.55	47142749.24	65560799.75	72913310.02	43928700.16	35845724.85	33865864.91
Pyridoxal		20759636.36	10443141.3	8425923.37	12608262.38	18077342.26	8852307.35	4736821.66	17284122.58	6928610.98	18278512.93	13753722.93	15265591.68	29507972.63	46790141.91	36737003.18	18788858.51	19985301.14	20913451.9
Carnitine isoC4:0		113790910.6	132134229.3	67858972.76	31274171.06	44960881.41	27232413.2	60905280.37	184247670.1	43053451.77	93034164.5	75986505.34	62856702.89	137410214	234784234.2	223891398.6	99961980.79	121175037.1	61003594.35
Glutathione		70356557.37	40652167.9	39163699.26	173198551.6	52279864.56	56598353.57	40438597.28	22103738.59	124490873.4	50889167.05	46643360.88	45576175.27	41776656.07	24900776.37	46667199.28	141166787.1	50977573.96	20448151.4
3'-Adenylic acid		118614294.1	189094668.5	116747788.1	144673761.4	281442532.2	86781553.78	138620752.2	172782709.2	150431632.9	272597779	279517972.3	174394822	92909741.82	4607874.76	174714594.4	202783660.2	260300971.1	226457535.1
Dodecyl glucopyranoside		5354971.55	3142947.07	1288282.56	29109390.67	50900528.63	8943706.63	2207583.23	2600721.52	1313905.12	38272671.77	31641551.92	24374670.41	4397589.29	1822230.97	2246604.7	38189515.25	46740044.13	783191.05
Adenosine-5'-diphosphate		148277227.6	138487073.4	162422185	114707406.5	165806828.5	184675803.2	179799942.2	94422806.41	151592002.4	124027708.6	133546776	112481561.5	110579550.8	23599015.03	123448798.8	107759861	110016531.2	284428589.8
1-Naphthol		13949813.94	9438497.8	7063543	5278612.22	3146717.84	7708051.1	16134596.79	20718636.51	14515342.4	13491644.25	18266793.8	24276438.63	12993144.16	18975113.37	16488976.89	3375221.22	36410881.84	15829738.51
Putrescine		69015610.3	127757940.2	47953450.59	47311521.69	147859843	30086386.76	57448652.31	142485475.8	37276686.7	116540965.2	90775887.9	87745968.4	110082088.7	130395282.9	169289158.7	73632875.95	148861637.7	121061441.6
S-(5-Adenosy)-L-Homocysteine		21332827.42	13612840.51	8610240.11	8386459.59	10971538.8	1964415.33	2091235.26	14482375.97	4768725.78	12213610.68	11324647.01	27677576.76	26451856.8	52190918.52	12961448.15	6504685.24	18812320.07	8660972.85
4-Hydroxycinnamic acid		72986552.91	81159254.4	50153406.13	41744974.99	72865898.27	28684532.69	45582741.81	83580823.38	45076716.64	75242962.79	69028753.23	57921317.24	153677536.3	178297109.6	190969268.1	72517334.92	83487219.72	74554612.82
Flavin adenine dinucleotide		3384571.85	3997578.13	2843284.62	3769535.32	7038281.11	4859431.2	4495859.92	5948209.43	2619815.83	7919940.16	6915207.04	9108563.5	6685910.69	9251675.09	7626725.77	3853265.49	9282317.91	9363497.65
Uracil		23910971.99	17835050.86	23602728.77	38086036.06	16725433.33	65957771	22944966.19	37683893.81	23356530.37	19746868.32	28478174.71	59238226.49	8881846.58	141557239.6	10084487.42	18877691.13	16781303.91	27634239.38
Aniline		7017645.79	446926.15	7059953.63	7841124.11	31803912.81	7752861.62	7306808.85	9199387.9	7320229.41	10993433.02	5885521.07	6849777.73	3632539.46	1434921.19	3597759.07	2616309.11	4453974.41	4987372.37
Gamma-Caprolactone		20667004.72	21300572.34	18050919.52	18252605.03	17106417.23	18272662.45	20527103.3	15588143.62	23382611.87	20404038.18	16913257.65	18309466.95	22497238.69	16985115.83	17212030.29	19903284.55	21477772.9	20201967.43
Guanosine-5'-diphosphate		10679293.62	19998730.92	12624939.94	9834150.61	14396176.97	15786549.52	23616813.27	7950020.42	9238477.79	11882601.18	6053717.07	6301728.99	3907179.63	9028186.01	4569433.57	7670372.56	9683466.92	5970681.14
MG(18:2/0:0/0:0)		5528021.57	8600751.74	6369665.7	1813538.24	1939372.77	585991.83	8272018.78	6779299.42	8176703.58	3290924.79	3750457.57	3830022.71	8949252.98	9362834.1	5936444.3	1732327.71	2532464.26	3345750.54
Creatinine		53853850.93	79362468.04	47440132.64	35515009.84	44841194.11	30040303.57	43601309.46	60734467.62	48718230.05	55878243.28	42538142.36	35926395.99	96903273.37	124974021.5	140696430.4	47441402.13	46256312.39	95433233.38
Firefly luciferin		2414254845	2514082734	2678444639	2674705922	2545418301	2825253256	2598513711	2422705157	2759273724	2546262490	2516719476	2733452689	2757316205	2528696931	2656689149	2639031535	2455068091	2387759724
Thymoquinone		29789017.95	18410235.07	16105324.11	20358112.07	22986554.99	16391462.61	17540935.43	28757962.93	22297758.32	16753251.67	19778918.7	22117234.86	19601969.53	27978693.13	19277895.65	15302433.62	26909065.74	16808167.48
Sebacic acid		247562528.7	350407285.2	145188118.8	326045073	364303949.2	139606127	264355111.6	308356931.1	131839238.8	345700945	317739113.5	190740632.1	292504851.6	321138469.3	225519335.2	235808079.8	270320247.8	365593081.4
N-Acetylserotonin		29867937.37	27578855.3	22846037.99	17627814.92	35499308.6	19510900.35	31316002.59	30071043.26	24433517.38	28850678.2	34247035.81	29687362.16	42838381.03	37007609.74	43235739.93	30016676.5	34922772.19	33762828.13
Pipecolic acid		20821336.31	19652170.27	7886519.29	17396879.29	19780084.35	12597943.8	7494182.22	20205328.49	14671819.84	23462293.22	20471471.31	16626915.13	70075473.77	92571074.42	89163858.06	21151109.43	28438764.08	20613558.2
Maltol		225229862.8	122783313.6	190905310.4	144690487.8	163991503.1	90981231.09	297015111.7	162048814.4	42895250.14	137417291	123121973.8	76570018.09	111644341.5	36343192.82	46690368.95	103551919.2	119345342	78735636.07
Caffeic acid		1957528.95	30299786.36	70104634.63	54420561.17	39609816.58	69471931.9	41987442.08	50546581.64	52250606.74	55754934.76	77673209.37	2318998.53	112062003.3	87594541.96	80640701.03	61680372.99	97379163.85	75664551.46
Piperidine		2471565878	3667725815	1493866752	1393830662	2608708670	1164221667	1927708348	3177504229	1907322502	3606984834	2871231699	2615672922	7994232960	9743628916	7384450176	3437392449	3455584883	2770139675
N-Acetyl-D-lactosamine		12218187.71	12590742.83	7672619.41	8318126.2	11274126.79	10898714.07	14131821.98	11272921.88	12397118.93	11173520.15	13975838.4	12564615.92	11606471.93	13326907.32	7788913.22	14492842.87	10344987.25	8206009.6
Phenol		125605889.5	119321502	111074807.6	102600395.1	116826480.6	103057887.6	108940488.8	114210155	113242472.8	127004148	119920878.1	114286983.4	176538358.6	173359163	185944959	120148878.1	119832113.1	106462659.6
Cuminaldehyde		66512551.63	25327293.45	12187831.65	11199010.36	11119367.21	5999181.69	23197547.74	31614453.97	11997182.16	13492136.17	8714121.39	30140405.22	41700689.09	18482322.96	22629633.13	6792286.98	25199361.12	36526090.8
L-Norleucine		30902259.26	33683120.75	22798210.87	18132324.33	30839110.25	14230799.77	19994189.79	27415180.96	24873320.69	11619291.03	29739943.35	26538753.56	51361550.39	1904014.3	324107949.6	35113797.65	49154157.8	45583880.87
Benzamide		157134060.3	125265828.9	106719007	153265546.9	192864637.8	69299213.34	90629602.58	206707396.6	86758342.27	76503595.9	81279859.53	189669145.3	182712061.3	190154655.9	112509823.2	77892168.04	193731264.5	235537545.2
2-Picoline		101875701	108885686.3	131839920.8	110720791	148800116.3	136639624.7	139437411.2	98540474.11	133693541.1	108296009.7	151269789	155429074.7	94195740.56	80502415.92	77602401.77	104231671.6	45164827.69	49669638.76
Dihydrokavain		471539258.7	245641748.3	207591049.9	249699760.9	206329445.9	252209963.7	347711602.6	405544009.1	241547392.9	275232217.9	81503150.05	144687879.9	577407263	951881466.9	470362524.2	367142030.2	598607136.5	482770862.7
2-Phenylacetamide		22986977.74	52233345.25	18971280.7	94084283.29	65114104.92	41530200.35	23626407.71	968845142	18677900.85	150245981.3	132684763.9	126344471	24408154.65	2982537489	258581947.1	128717518.9	876663927	868985884.1
Taurine		59474241.65	44195807.52	52315293.44	22971001.3	25908402.95	64952961.27	48376998.19	25365929.68	44083332.22	26984281.96	32433045.6	28963682.22	29271860.93	31219098.49	26621013.38	33463291.47	22591592.76	20230208.92
Sphinganine		263593806.4	268179773	286996379.2	277630279.2	319174467.9	268066912	338640187.4	269550881.5	241527320.4	271194575.9	271894782.3	252755950.8	336539289.1	219776970.6	443929452.1	324687608.4	264348778	306385923.5
Palmitic amide		50991270.13	51670280.42	64858090.64	28687588.75	94804996.88	67453649.6	50698105.77	49729097.9	55886378.29	83510414.02	56837549.28	75075634.75	37763903.89	37952306.74	79513177.55	32525051.29	44690713.36	24434554.7
2-Phenylbutyric acid		22483473.88	22249864.73	10398749.48	17421730.4	17728151.72	16653647.64	15819110.4	28433462.74	12447107.5	15747332.23	17799798.74	22301267.91	18505346.9	18890928.39	21824632.15	14940127.57	27286868.12	14450445.89
LPC(18:1/0:0)		368261424.3	334741839.3	224465171.3	150674831.5	835740822.7	162295985.3	239567172.8	1716648390	199381558.6	205331462.7	229336383.5	202226397	1293352089	1467466901	434674398.5	182286061.5	251993623.4	1037011034
L-Homophenylalanine		14521891.17	14407786.61	9255631.45	3330221.19	3966975.94	1198700.99	7760444.35	23047507.51	14295131.43	3354710.72	2847366.2	2237258.16	112121000.8	139118689.6	180188673.6	2740626.15	4527129.04	3992529.68
Indole		290318505.8	284231176.7	134146731.4	100053515.3	153063059.6	140972036.8	122751553	328511779.3	152014792.2	278126530.6	123395969.1	112997174.8	300037189.1	339230081.4	154659089.3	152655260	181126984.3	123055360.4
Dihydroactinidiolide		48839507.02	39317179.24	27047847.19	31038897.27	30492642.07	16628667.88	39110428.85	48655248.8	25974111.32	24712238.66	33197979.58	36457727.59	55678586.81	40609477.77	35940618.19	22512162.79	44850871.23	48872021.13
Estrone		44720437.99	37692337.79	22070229.68	58943040.02	57177692.03	22240421.98	30184453.33	50171840.12	21211818.33	22342506.19	15313860.64	55557638.94	48246586.85	30355718.86	43481652.39	26611881.27	56179851.51	74034660.51
2-Acetylpyrazine		11868392.51	10599477.65	8281411.88	15410098.03	13989414.42	3684122.78	9377213.03	18929643.99	7957731.9	5913521.15	6178232.78	12548249.01	11434497.89	13547106.29	10074070.55	6657131.81	14557460.21	16044904.27
Lithocholic acid		286833041.4	265493403.6	246330236.9	342202574.3	231391268.8	298270900.2	311242368.1	259485372.7	283422560.6	307273662.8	289534183.2	253612887	260633030.7	238734329.4	246322545.1	244931543.1	238709564.7	251981426.2
Hypoxanthine		151463931.9	17483581.52	7730613.58	84598851.68	1045106.88	3668188.39	14831645.79	30718276.73	2683119.71	2546488.73	596487.47	63812794.99	12983663.52	759558709.5	454357.45	11253044.93	16421915.59	25007882.56
Glycine		28465750.91	17992993.89	27139097.66	12842668.34	13189644.65	25688245.91	24943831.99	29160155.99	26291582.63	13350463.21	27032632.04	11746337.34	15731191.69	33281507.56	13928152.74	11525524.27	12153995.82	20447720.73
Dopamine		3940580.1	3733555.77	6351821.73	4733084.53	4293375.94	4839488.8	5913574.41	6309386.38	9838379.91	7776232.25	6063924.92	8171484.6	5797184	5096805.13	5732443.63	9557402.93	5778874.4	6237260.3
N-Acetyl-L-alanine		2414973.49	7149987.09	2898386.16	4645021.1	3393552.63	4519020.85	5196017.59	5881071.63	3170959.39	5374491.3	4151691.91	5022584.98	3516048.54	5000932.18	1260047.94	5368142.6	1266903.87	5479668.71
Thymine		153221242.1	125520022	141945259.5	130298088	116503245.4	174772082.8	142948320.4	113789453.1	157137419.7	121602013.6	129066432.9	134556811.9	85275384.49	64394446.61	88184787.68	142954152.3	99006475	97580896.38
DL-Leucine		39979241.34	51311323.06	17049117.08	37693962.97	41159071.51	35201374.8	25509321.26	47339488.45	35253621.54	50036398.51	41120037.21	36963518.18	46308578.46	137963769.2	120917224.8	63061744.66	66464055.21	66401973.16
Serotonin		72399132.22	74629777	44651210.88	41180340.78	96439728.54	27444782.06	46507830.73	102121196.6	41576945.84	72786732.55	71364100.19	50821789.46	159454883.3	218488685.5	216770865.1	69482643.29	90120315.16	83606496.25
N-Ethylacetamide		178903938.9	676603953.8	140161447.8	122399313.3	111375152.4	128348657	154510769.4	77012380.83	99042119.57	119306606.3	74864192.41	157601756.7	177796660.8	129073420.7	134795240.7	157308480.3	136847743.4	150333284.4
13-Docosenamide		4461439.42	3904122.75	2407196.61	735305.38	457825.25	1170138.6	1847665.54	9927403.84	1581091.29	370543.7	349441.25	266161.23	390329.08	710486.67	187203.02	38473.81	974619.89	384896.5
2,2,6,6-Tetramethyl-4-piperidinone		165121663.6	115125470.5	36495797.83	6130139.14	9359061.25	1046206.72	131425297.5	161728066.9	55578163.11	4716429.51	7064498.14	7413085.26	166075427.2	69375145.66	176587467.1	4397545.86	8578604.14	7892249.76
Phenethylamine		109493145.2	69704346.81	63611071.62	64830694.62	126354689.2	34913281.98	79821997.52	110011125	62639299.8	80216085.45	85060089.24	75781371.91	669967000.4	24239399.37	127158606.3	123591412.5	191609547.2	84978399.79
LPE(18:0/0:0)		83835327.77	70628931.6	61693341.07	15939852.94	25209393.96	14050941.62	58066326.25	70193751.18	44734799.58	23887525.82	32363670.11	22906857.74	64715900.4	153538189.5	96313805.17	29606816.73	21164793.84	21797759.89
FAPy-adenine		140990712.1	136389348.4	107650102.5	132807290	231024659.1	101650018	117767318.4	268052490.5	103922139.4	203943963.2	177833044.2	166365961.2	310961417	365034772.7	377868018.5	189713140.4	249387072.4	242638901.2
Trans-Zeatin		41173769.72	64283606.79	26441342.01	26424698.87	185819378.1	12230743.05	54327352.13	107341272.8	54903551.02	88215661.33	194015097.8	61126949.52	108631755.6	97038797.58	150783800.7	97240389.19	108323831.6	198733641.4
Guanidinosuccinic acid		29184234.74	29752257.64	15374251.89	14338978.43	21197809.33	7470942.68	16030748.92	24669807.13	13425317.39	26509613.61	21635898.75	19638326.62	69691265.64	81940795.69	84618180.92	27447424.75	24631420.42	23134016.65
Glu-Met		270103178.9	247622729	193891993.5	142310219.1	156014131.6	139642066.9	197076769.1	209545206.8	232987326.1	189153344.4	187632095.6	178755941.8	910919735.7	984439499.5	1108396342	198401549	187645223.1	142703720.5
N-Acetyl-beta-alanine		140579152.7	111312127.3	149815538.2	159468911.8	95410419.31	153228090.6	209347909.1	104354851.1	146892187.2	161652015.9	114142794.9	200705049.8	98468749.2	178442525	108846287.5	177503226.1	138404177.5	136303284.9
LPC(18:0/0:0)		9849895.86	10843086.11	5168751.67	47696110.2	44358403.53	28997081.33	16257454.43	18351864.86	10093011.99	49753502.24	73351542.1	59540311.83	11082625.41	91777828.44	2089797.66	73452782.64	31264690.54	42949065.17
Myristoleic acid		320707615.6	331591730.1	260247904.9	402251114.1	392236056.5	193392544.2	225774250.6	397174950.5	193173320.5	306278180.9	251901025.5	395331375.5	300478062.9	310246075.6	297739411.5	240527867.9	377564573.9	452749540.3
20-Hydroxyecdysone		4211692.53	5483065.32	3521939.18	10746075.59	16364389.49	4353301.91	4895366.16	6394954.63	5763252.09	11361427.2	8931451.32	27535210.25	6979376.53	6475440.27	6142249.68	11379069.92	15304926.19	13117380.49
Inositol		329676.63	942286.31	569128.03	148719.04	571690.91	464722.6	567769.61	1880882.48	539680.78	1136838.12	247018.02	717438.05	1384673.66	1626846.92	1427506.03	701177.07	1887519.99	1195895.28
N-methyl-L-glutamic Acid		65802256.55	115701418.4	30106079.32	66073134.86	111781808.1	55264365.47	59248010.51	160042828.1	46404403.25	136531613.7	138170615.5	123787885.4	58393274.29	63228384.97	154615501.3	156800150.4	202963436.3	271223907.4
2'-Hydroxy-4,4',6'-trimethoxychalcone		156937222.5	99733663.12	82499147.74	69671028.71	68292897.4	131015614.7	139165829.4	192225732.5	120348024.6	90567924.93	117892611.6	136091703.5	106819023.5	126753080.4	104112594.7	56558283.98	304793163.7	117538692.9
Levoglucosan		6587341.09	15433663.87	9501750.58	6263212.66	9245395.81	8673217.33	7933388.35	920646.86	8586012.31	5088752.74	8720869.2	7682331.11	5653819.09	14382769.86	18849884.46	11436732.37	10201512.56	9480424.66
Methyl cinnamate		13205101.73	9193909.6	10694662.71	22499034.9	2167688.53	4788105.67	11952753.98	18785050.09	21193216.16	7703235.37	10713916	11618293.22	18342238.47	11188798.99	20973393.08	12536419.94	29336799.89	11695087.93
(2E)-Decenoyl-ACP		39863148.87	34918417.48	49628899.33	14761853.11	48655958.54	11245442.37	23035222.44	36704233.72	17383922.58	26312042.75	24781576.33	20969977.1	35387429.99	69181077.96	41986024.84	26861514.53	31944871.45	30148410.22
Tyramine		527100837.1	580304913	327605329.9	289204771.5	1173178505	177925719.6	325713807.9	797608642.9	307903106.2	557170184.9	471893811.8	436596441.6	1433918554	3349077173	3227085873	508993503.9	699116472.6	586017885.1
L-cystathionine		44364144.21	78640687.98	12077913.84	201295548.2	233175627.5	31576196.46	33128424.86	213309982.7	36437258.94	266465724.6	247022127	245760338.9	35380987.43	21588798.51	140946809.2	273280175.9	541145685.5	667942949.9
12-Ketolithocholic acid		14686313.74	13636249.16	14279820.55	11900369.23	14953340.65	14778662.49	14748880.94	14278702.01	13153904.59	13153741.42	12843289.16	12870510.82	13944504.47	15037339.73	11566466.8	12876910.09	13270458.77	14554389.21
MG(18:1/0:0/0:0)		1755449.22	3474040.55	6044886.62	4655163.29	6762270.86	3738582.17	4568799.34	6674653.47	5982808.84	6506290.16	8933435.39	9592458	10121061.03	14797606.7	10729914.13	9337380.1	6550487.61	9760662.88
Octopamine		93363811.75	86952858.68	105217828.3	99366695.6	74569499.64	122040726.9	96980440.11	77799992.73	110312241.8	137555954.8	102537455.5	106915904.4	82736653.89	148781531.7	99723167.74	104931650.5	69259497.12	72544593.6
Aminocaproic acid		117173270.3	122199690.3	147963300.2	173390592.9	52387087.53	243860457.7	185667685.3	138619111.9	100989180.2	107134328.5	56102459.34	157874871.5	43040272.52	117695201	87470328.09	108693524.8	83104848.38	137949780.1
Benzophenone		129987427.4	18141988.53	23013595.49	49751770.15	14411255.74	22804581.9	37348827.34	57451857.82	28669022.67	19317871.69	15899549.81	32167008.73	36788597.18	49410838.95	15309462.61	62538438.42	47172660.48	15798792.12
Piperine		24393741.33	34674075.06	10925021.26	40217942.08	88760210.26	1346479.86	35049450.94	105927933.3	9739334.1	57664869.42	55843285.92	38698015.69	26785567.29	35476766.63	72997788.91	53961156.26	131761732	97369846.07
Riboflavin		4569612.15	3778691.1	3467447.6	4065451.06	10726550.01	5491265.86	4768682.48	7636530.4	3782040.63	7899366	8487897.56	8361903.99	7534245.83	6968927.16	6420136.84	6976532.95	10646913.48	9292806.87
Glucuronic Acid		27523438.71	8340596.27	8657061.31	8895386.01	10326763.64	4221293.14	4869544.9	5946577.16	6917089.39	9800737.38	4972525.54	4819494.94	3369267.8	9412446.03	2740781.16	5158159.37	954586.31	14938847.93
Sumiki's acid		24115781.59	39034361.5	29817400.69	30884362.57	28727059.78	22267101.8	23472863.45	28079608.25	25343162.6	41993559.39	27256543.67	47194458.29	27885810.81	50917567.53	42238338.2	45823249.69	30660296.71	35664936.13
cotinine N-oxide		1459750772	1365364332	1627751075	1570483371	1393875354	1685096303	1455061191	1715350798	1649274650	1468618577	1317028098	1426411170	1396975543	1229305672	1299738715	1341242552	1220724025	1272957514
Methyl stearate		194850369.5	198725668.8	122975319.8	165592716.8	268326877.6	128419918.3	193308788.3	253569542.5	140279351	277754061.4	271296663.1	250925045.4	202684432.4	198290712.1	272765620.6	287388965.9	169577137.5	311517353.1
Dehydroascorbic acid		24137364.55	20837473.07	16392858.85	8585415.92	9938054.99	4188927.13	13297466.94	18538307.96	18206872.07	12071911.03	10777398.5	8769817.79	87442689.68	95836388.66	92770394.57	11401255.6	10977525.13	15231948.15
Nootkatone		35651792.57	55330429.73	30746460.12	25832399.99	44477728.45	46353670.24	29282030.26	31525752.86	36972867.12	57382274.02	48471222.78	50001387.88	33537416.57	49123426.1	32955560.08	52989711.3	46766126.44	44446585.3
Genipin		16689588.5	15002583.4	10115919.14	10183119.8	7379877.14	6761146.61	8172915.5	15825454.94	12852982.19	18892976.07	15261461.74	12274748.91	60661437.1	82992829.37	64680467.62	16413573.23	18827487.3	15548661.31
Quinine		1766700.66	1329034.92	966478.01	361134.05	932481.34	426899.16	1087860.72	2048506.53	102801.61	121088.62	207102.1	275296.99	895383.28	2794956.97	2599260.37	597517.3	573347.55	715397.05
N-Methylbenzylamine		50670564.87	59070194.76	33908741.04	28771113.91	66690992.42	19511797.1	32529793.51	70571758.18	29306636.82	53030260.58	79810964.43	36852689.49	137929553.2	319079478.3	311115766	50053007.04	64541702.14	61302661.31
Indoleacetic acid		30249812.33	29392565.55	16749843.65	75083571.14	147996279.8	36380167.32	15423311.31	43831768.13	18577385.16	128571322.2	104571670.6	88585013.35	153319489.7	209992424.7	230331351.1	110848445.8	196541053.3	184690423.6
Dihydroferulic acid		134639513.4	128154921.3	118507339.1	184851134.4	193237215.2	126105522.2	122624900.8	156977008.6	110841631.2	187012203.7	165754615	182679383.4	248480530.5	203039051.7	169013799.3	250222579.8	201478460.5	181774800.4
β-Alanine		219716198.2	224755470.3	191809862.5	59560538.1	146572970.8	121428124.9	225628740.5	209230466.8	229616844	112925043.6	87339393.52	74137255.69	217867865.6	254440936	377607427.4	113097648.8	116889988.8	87153619.71
9-Aminoacridine		219036511.3	121871771.3	95368948.32	158039037.7	103005773.5	230432927.3	315417885.8	217907823.1	183768771.5	119444267.2	317525771.2	305024526.4	117103395.1	156542378.1	144008300.4	109365899.4	310433365.4	272506341
Itaconic acid		16338854.27	16167655.37	9248262.01	7048366.44	24741585.97	15065634.77	14366804.63	16978853.82	8939987.47	22187621.09	28115329.6	15226514.11	12286587.41	21810085.81	30272278.62	39900930.76	28109876.88	28080634.16
Phenylalanyltyrosine		3318088.47	4374779.61	1583359.3	962164.37	598337.73	58555.43	2095293.52	5017452.44	2226542.69	1510071.27	766231.48	566929.24	24596336.49	25056067.16	65536688.26	1177454.17	569349.77	1515864.44
Dihydrobiopterin		32999749.66	39587665.85	24575397.72	26688147.56	54296867.43	18858336.23	20060596.34	58899249.49	14657218.75	43745272.26	42122622.13	27803282.21	131481942.1	132733126.2	225069938.4	38115389.09	38400994.17	39385395.56
2,6-Dimethylpyridine		109656448.4	100677076.8	122363048.7	126903969.3	95426105.67	140390420.6	116016534.1	84809494.29	126249659.3	111179611.7	121654853.1	113448521.1	98190418.24	77478018.37	93766983.01	116880533.3	92148924.13	91572758.62
Maslinic acid		5414951.55	5803314.9	2123141.3	5823283.71	9333112.03	4367593	2214140.31	3176286.61	1453203.78	6423751.75	5308354.74	5617077.16	2411729.75	2152408.83	2419974.72	5099285.37	6904578.83	7660396.52
Triethylenetetramine		268709555.4	41646789.62	249585119.1	49593719.55	74845416.67	49122937.8	332230305.5	70905740.7	48538375.04	93912048.29	60831106.59	402323604.3	336681520	404727541.5	80525800.21	78618684.17	501985852.8	119772635.3
Glu-His		37645393.78	42890476.45	27922199.21	54346688.72	86652943.83	39302217.8	26334144.53	67047425.76	31148878.03	99972442.25	77499087.64	75829680.4	49575256.41	61276011.7	61780435.49	100403911.9	108673029.6	96997511.77
L-methionine sulfoxide		217433512.2	95590828.91	257550412	43231345.49	32211473.11	431800619.4	239194437	32490185.69	292797583.4	66661662.16	52049713.98	49286259.76	58396092.26	18511102.28	25742024.49	46241790.44	18706463.23	17229240.34
Adipic acid		18143234.03	8100113.88	9117738.68	5664666.26	10050481.72	3433821.19	26821093.1	4395288.56	3021281.4	6603922.55	3073492.09	10123561.57	6542612.44	10692211.63	16914569.58	12915876.05	15506682.79	18625653.27
L-Leucyl-L-alanine		38074006.66	19848237.96	25719719.26	18508938.23	26935856.04	7111696.45	8623858.69	51356163.91	10340358.37	18019036.8	15678765.38	13063202.97	38674649.05	34601277	33128092.32	9876326.45	1065636.44	481019.07
Cytidine-5'-monophosphate		1746731.56	11410002.78	844848.78	1981428	17937498.02	3145718.75	5505832.68	598351.26	2068140.95	10982370.5	8180084.13	6005311.76	752084.72	2400064.69	2322915.5	7851901.81	9350813.6	9697737.86
Normetanephrine		195953494.4	211528644.2	124206491.6	206602258.1	200556415.2	104388695.5	119026814	226918420.4	123624698.5	202068104.1	185922266.7	163147244.9	416421540.2	451001018.5	479962744.1	194940113.7	221397969.2	207456944.9
Cortexolone		26488780.72	10112457.02	8969786.79	2407277.24	49038668.57	11205601.35	5098924.34	4747226.09	2383519.88	19844307.65	23577117.67	4793129.12	9693909.65	3510064.15	3135548.39	10599705.54	21269004.08	3566326.77
2-Hydroxycinnamic acid		912306468.5	217402594.6	592255418.5	562894607.2	956322607.7	369961597.2	576410830.6	1014747286	551488414	920992281	202171601.2	166301647.2	1885203482	2097179510	2262080793	218452830	1017616871	253079402.6
Iminodiacetic acid		110776310.5	110338105.2	63754094.27	62465652.06	114522170.1	45271027.63	63901717.37	139512521.2	56082699.28	122433875.8	103646425.9	88114509.8	285821200.6	329151349.7	337214232.5	112856857.3	137845269.7	119781521.7
delta-Hexanolactone		2877105.58	1982934.85	989367.75	2640773.02	2706659.17	19574219.82	3109724.23	3058067.15	2944095.03	2120603.34	2622035.99	2152958.57	2570500.81	3273373.78	3532368.81	3183599.9	3409472.3	3657690.27
3-Hydroxybutyric acid		70843430.58	42498727.22	113101692.4	67712000.54	23350205.6	74064811.1	4557333.38	101434984.9	75388565.27	288592921.2	18802163.15	255127516.2	61429431.13	12356489.18	55565704.18	26188427.08	46683807.92	63053478.26
Heptethylene glycol		87230531.21	100050631.3	68920861.44	259350423.2	380109263.9	121803690.5	64216621.91	62727025.53	44315316.19	332837476.2	297554287.1	299874124.6	131224371.7	50097472.62	66514913.46	362584277.7	322979662.8	315111516.4
Tagatose		55943826.73	55111415.66	40605349.94	32096379.63	74591204.73	34324316.08	45654020.69	69156652.28	51428526.56	44458091.51	36968354.25	29674399.36	247432806.9	305188666	439033891.7	46757242.42	49077723.61	67495281.5
2-Phenoxyethanol		68169.26	68169.26	68169.26	897071.01	952211.57	630649.22	68169.26	68169.26	68169.26	671971.32	527785.13	974030.07	68169.26	68169.26	68169.26	754430.05	68169.26	1413846.27
Dodecanedioic acid		108451786.8	73380312.37	56106810.53	44506978.56	79459601.07	28970089.04	54794219.69	97819992.64	38413590.56	44478953.68	47728537	56370669.56	113863358.1	101601813.5	79032298.12	79890065.61	55803642.57	61880355.46
Isolithocholic acid		3099012784	3065737671	3260696734	3158256272	3115534364	3105940531	3259440685	2981380759	3133063223	3077218603	3083284621	3099039207	3035719248	2923650958	2869669766	2935718404	2840743650	2882420006
2-Acetylfuran		24329586.38	20802298.41	24647674.9	45569379.59	20784701.33	31956577.98	26471884.03	22717432.19	27149177.72	19785944.05	13831868.16	21492843.49	18105180.2	32167500.69	12745472.53	16095369.83	18370545.82	14024257.8
1-Phenylethanol		29151815.84	26086257.71	23782868.76	59748201.37	25261942.42	17209042.22	40487573.89	15803325.29	14451790.83	18679784.66	20613774.36	26646615.32	42987090.88	24122703.65	10128776.76	12191318.65	19004485.85	11849340.6
Cytosine		243598474.6	37478177.53	44707630.53	40557041.66	70425402.08	43484810.07	48513087.21	227920560.7	58555685.38	27064579.97	35992079.23	38693476.33	81528087.75	41120151.8	37133150.12	35282222.49	41308522.85	43303290.06
Allantoin		130667006.6	149354103.1	73225703.94	52756686.21	108403422.3	26960464.13	86802730.4	145223963.2	71664423.5	106053208.3	142233157	87520122.42	234633498	81496087.51	328867514.5	123342862.3	183206950.5	244293851
5-Methyl-2-furancarboxaldehyde		18483109.07	16217830.81	22036980.81	27705873.27	21115483.08	16247444.89	19860515.62	30877177.29	21326144.19	48159034.64	18394519.24	18528179.45	20414052.41	8461064.84	18850920.57	20307164.03	17865914.06	18276256.53
L-Prolyl-L-methionine		30436238.58	48703503.62	23642934.37	40901133.15	33591025.33	18796502.54	37065525.71	24516196.26	33840733.14	53480897.46	69405022.1	61150236.03	109152453.6	151122128.7	184966109.5	73944154.32	29868573.4	22068696.83
alpha-Hydroxyisobutyric acid		27085755.64	31087359.05	17093545.71	16734973.2	30681574.31	10377181.24	16107691.91	38639765.26	16789494.61	32226296.18	23923462.77	23889465.27	69096988.21	81903163.16	89776958.77	29082446.7	37387534.75	34507272.91
8,9-Epoxyeicosatrienoic acid		2321840.1	1873929.74	1700757.33	3105199	5671152.52	1931400.21	1590727.8	4059907.92	1470998.33	6465827.58	4582576.42	7109339	1392112.08	2276239.64	2678553.79	2788496.56	8254547.3	4400640.5
Selenomethionine		42377261.47	45274833.76	42428221.9	59584607.45	54358013.62	31268373.65	43152650.87	52133623.12	39960475.71	48977117.65	43433597.79	45767821.12	32180883.42	41276131.5	37731148.59	48346677.21	43064158.89	50866577.99
2-Hydroxy-2-methylbutyric acid		74702833.96	86722692.5	193627065.7	178986400.9	146280810.5	97479355.01	190568734.8	60805806.59	106804526.3	96121470.15	74596583.04	5215494.29	135402318.3	63228865.73	111380778.5	99355996.81	73470646.32	179171041.5
4-Methoxybenzaldehyde		65828690.53	72786504.7	12031210.9	35964728.8	46600287.1	51607150.37	46759622.7	80843957.41	56486287.74	58213247.63	49710191.52	44492776.4	95671788.94	102775825.3	94089557.1	53434292.74	48673993.2	62663163.85
2',5'-Dihydroxyacetophenone		17807368.7	27718010.67	10548846.28	15931587.89	55927226.74	2229016.22	10731169.05	83593010.74	4250662.95	30409688.03	17731519.01	21182570.65	85728804.4	104357056.4	113701131.6	25054645.75	56447148.28	44929297.43
1-Deoxynojirimycin		11332086.22	13934384.03	2949633.33	4686123.79	14539804.63	73590693.55	5940885.58	11585761.79	8903713.44	8259448.67	11247511.6	13285831.49	8731873.11	14438023.91	11545006.08	13329899.23	86099079.72	19514788.03
GcNeu		104793870.9	62532516.63	41930537.95	12737971.98	25854828.87	30614352.39	27109004.05	27615317.06	57316616.05	23116089.68	25576508	25938364.26	28596545.26	28688304.2	19357916.38	28820704.96	26953966.9	26456424.5
2'-Deoxyuridine		7540313.51	11163584.51	6807288.02	5584860.64	9169694.7	4475794.99	5364040.57	11294972.31	3845474.34	7535756.62	5440944.23	5761248.95	22641149.24	21212628.02	24021647.37	4754915.69	3797185.92	4515587.47
Hypotaurine		13170351.74	10137272.58	11446160.8	6075018.28	6381957.15	16290453.66	11017574.36	7746865.5	11526482.58	8563326.41	5349281.91	5542490.94	4024450.24	1385643.92	5963154.36	9162114.02	6630395.99	3951388.6
Fipexide		10636399.69	19031307.04	8697643.07	8780390.49	54802530.43	4282440.67	6876187.7	24889990.99	4955326.47	23892908.29	17496623.76	15040971.54	12495648.54	18114438.61	26124434.74	20420128.96	41044372.72	35054323.78
2,3-Dihydrobenzofuran		21913024.19	25232980.21	13532943.39	13717634.41	19768350.96	11253631.93	14651943.08	17933349.47	12128423.1	19125133.78	13930196.59	12320745.23	19335307.78	14248157.95	39312250.67	13143206.48	12214068.77	24964374.49
Rhapontigenin		36422215.04	27414692.53	16372656.89	47441527.27	118854886.6	27095790.82	18743318.22	46696726.36	12240880.14	109741153.5	97697599.16	42222983.97	96904711.48	57770117.54	62599098.41	85390811.3	138982039.9	28733357.15
Arachidic acid		621636824	648512594.2	408839257.5	325965624	320622780.9	301942870.4	803917036	426228942.6	378328242.7	311607920.3	346896718.5	271308920.1	458135437.3	245595631	596731182.9	290145088	290902681	271205466.8
Phenylalanylphenylalanine		15494291.19	17609012.35	14307154.62	22501100.18	34071322.63	10655986.31	16146354.36	59368323.94	13196391.68	19253456.98	15324227.04	14768602.94	22327720.44	27248668.46	25089588.7	16694927.17	23731984.72	30112558.47
Prostaglandin D1		31096501.41	23429790.67	18472825.12	34248908.8	99146559.22	2099508.66	12933301.09	24526867.42	16347472.2	45316900.28	36261245.47	38569323.35	45186402.09	30739524.14	36170081.97	51371814.11	54303656.14	41441492.4
3-(3-Methoxyphenyl)Propionic Acid		323401534.2	187137146.8	176290167.4	134553811.1	109379453.7	123880115.3	252896786	323910253.2	224974047.3	100931679.1	128761161.9	240868479.3	197607274.5	227185049.8	182949170	73021842.62	421328199.1	188206107.4
Harmaline		25079806.02	27570702.93	13200986.13	9112253.97	22512888.77	4943875.17	11339307.03	35171287.56	9340331.42	21805877.75	18689169.66	15533798.63	50224215.22	34244519.2	72828128.33	20839848.97	35571162.82	31198660.74
S-adenosylmethionine		3686604.02	5334715.2	1940075.97	3619148.08	3740186.46	2617859.35	4012220.12	6543044.85	2986943.69	3116863.4	4386228.13	7289680.03	7065085.07	22080769.13	19255419.1	8001904.4	5189140.3	2774417.31
5-Hydroxymethyluracil		1762378677	1704676461	1993188287	1801948944	1533100044	2190584666	1911487491	1518820614	2306688255	1636728763	1736966571	1799914933	1303692031	1031935764	996409908.6	1683601903	1338313018	1325303494
D-Homocysteine		121227247	375745740.1	143742471.6	328147069	242202791.8	272103291.5	125067868.8	248570030.2	163252097.4	287141183.5	385704880.5	377710699.3	329455575.9	294698170.9	310604911.3	387512564.3	269108454.1	35448953.44
Corticosterone		1400039.18	1176375.41	405322.31	11448696.42	16263220.39	8662193.9	774336.16	470566.72	63315.65	10031430.13	10649381.49	10071545.53	1097682.55	229441.51	531852.19	5619720.15	6878426.36	463121.56
trans-2-Octenoic acid		75952490.18	59776559.95	51858379.05	50349735.47	69469294.07	46468231.42	52820770.85	61342642.92	73667168.34	48927010.52	51654825.16	54650813.66	78681028.42	53400069.35	59198530.64	46619168.64	83006037.88	63529390.3
Zerumbone		2612995.84	2467215.42	1806030.15	2181670.93	807136.02	2229974.81	1127830.19	5101464.18	2376653.46	4207358.18	3812216.44	4413404.95	6239805.87	4347840.71	4375081.29	3342571.44	4303601.18	1160808.43
4-Pentenoic acid		60274387.35	34494068.21	48472434.96	67080978.84	18314679.18	21703911.61	22549446.67	35893793	28662952.57	9922357.71	36534485.08	48938611.81	85992937.35	52872041.91	25105395.62	65496645.11	89509102.54	74579659.37
Prima-1		48807474.67	48742916.94	49799083.16	43947208.69	44767800.99	45833060.34	68246180.05	29567988.89	58797676.42	50975836.77	28613306.18	30294431.85	47882525.87	32100094.8	63995276.48	73706956.68	47888760.98	58509140.68
2,4-Hexadienoic acid		18844207.94	17339588.51	15786346.1	10435042.09	9610620.05	4660364.12	13302488.88	16164159.4	14255562.63	1231674.67	1954153.7	12721102.2	18556032.7	16263490.52	12594327.09	3215361.39	13792431.06	15809911.77
6-Methylnicotinamide		103777060.7	79736754.36	118873164.1	58786989.87	99412239.06	76067985.93	127602117.1	65284004.7	119990726.2	83324516.31	87167380.99	78297129.95	106211677.9	101947791.8	109776257.6	94707541.14	70348201.96	69514416.72
Glucosaminic acid		71253054.92	24972768.64	77011453.94	207424429.1	159252465.2	168653135.8	84244093.71	58066007.15	232846438.7	81763214.02	61893436.36	288391696.4	181189370.2	19181194.84	17269512.72	58614628.13	52709979.19	95352876.23
25-Hydroxyvitamin D2		7230864.19	7777971.27	4108206.99	10028112.94	18628414.44	6609245.15	1121995.83	8733886.77	4084806.53	11158794.2	10550972.76	9111941.33	6114159.22	7500609.59	10122941.76	5661477.96	12160527.95	20816820.84
6-Hydroxyhexanoic acid		108498635.9	65903092.04	5083873.59	40701079.98	4624172.79	137461451.5	44045081.28	4415823.35	44115979.67	114044285.2	73496582.85	113096711.1	34044879.56	35625208.02	42226245.15	32398238.42	27264697.56	28640869.88
Erythrono-1,4-lactone		714952538.4	680365247.8	1149379124	820959504.4	626052132.4	912140608.7	752550890.7	583386239.4	835570738.8	728502700.6	739697777.5	743040788.1	658969164.5	621620855.8	625164604.9	732312529.4	623820258.8	620011849.1
Biopterin		23189789.08	32988387.75	10614996.12	14168741.25	43674628.88	5320572.83	8745961.59	41833480.74	7439612.09	36669471.61	32994286.43	26179026.35	57373604.85	40244152.22	113530600.4	29403787.35	62727152.73	52090566.64
Aldosterone		3870148.19	3095755.74	2948256.93	3915392.53	3375981.02	4293178.65	4541925.28	3639472.24	4599841.64	1233583.09	3020137.77	3133519.67	4742138.73	2148994.39	2965943.69	3072494.63	3306428.96	3066175.51
15-keto-PGF1alpha		4140189.72	6247069.28	2666085.86	484299.86	1386770.58	335785.35	4209404.97	5304592.72	3864768.95	428576.58	2046040.11	1714265.09	8417949.99	4813456.73	8741278.03	1901375.48	1586647.79	1039278.03
Dimethylglycine		58197664.22	62747527.43	36344446.77	36575775.17	62995006.38	19086418.69	36556861.72	90810800.76	31163321.37	58039917.33	55461875.63	119247132.8	161781364.2	223085076.9	203891256.4	57604899.68	76304984.43	61315044.34
20-HETE		2050673.49	3927367.08	3321957.15	3501586.8	3452323.08	830438.12	3261466.69	3162439.34	3217326.69	3351560.72	3421848.56	3437823.59	3365367.05	3632024.32	3764664.23	4022828.97	1398510	4259076.74
8-Hydroxyguanosine		46477516.14	49660438.21	34365407.83	46540462.89	100029860.4	35220419.39	41929808.8	69828535.57	33551232.66	70045493.91	64005406.64	63960161.22	140711247.9	131232736.4	175183283	69136548.29	87608618.31	81055810.98
Norambreinolide		26937181.12	27430647.35	23227731.51	32792350.28	28902686.55	16968193.35	20549046.25	25968721.99	16998459.25	22634010.18	20031322.19	28218066.53	23981668.52	18507237.65	23648075.88	18667410.16	27413739.79	27802407.82
L-Homoarginine		52259741.57	46627598.4	34527009.12	34136371.57	32544501.33	25596948.5	43609421.86	45914872.63	57843151.73	23742363.38	20206297.84	27375838.14	28727596.36	24666766.98	27412043.81	25567584.19	27869856.54	28287164.11
L-Tryptophanamide		40396121.12	44270021.9	21157994.08	22815801.09	47961633.15	11861070.86	20029040.1	71078315.22	14815007.28	45092919.48	36592400.19	35275430.11	71978425.02	53953931.09	106162232.6	40710564.03	71121528.49	64610971.98
Abietic acid		12503740.15	23210092.99	6384183.53	3826111.78	11690190.23	539304.84	3400813.15	32532384.8	1292939.31	11705367.21	8249460.38	8133009.86	17849849.1	27244220.49	33524164.14	8344357.9	26931188.75	41288021.85
Melatonin		33924422.93	34331237.53	28741542.43	58203675.53	51309627.56	9701435.24	11846512.66	43753858.47	19208944.35	27378014.48	26936215.4	18891451.83	36514160.6	27148916.32	29694259.57	34189263.06	35694168.2	42240837.46
Diethanolamine		523929487.6	465573292.9	307149057.8	86552921.42	546236226.7	605950866	444462028.9	544669917.1	530806425.2	520426668.7	656900602.5	269642958	681828658.7	590058441.3	625950794.6	686782828.7	599466825.9	606995034.1
Gallic acid		10272975.63	14805243.35	13514201.5	10558689.63	9087878.86	10807247.82	10291348.64	16266191.17	8838002.41	14625155.86	6522932.76	9853763.08	10321852.14	9648049.85	6490956.6	10540579.7	10625158.02	7338689.88
Lys-Asp		101407108.4	58237111.46	85537012.17	109907536.3	99158814.3	97366394.31	112069302.4	85730768.52	102219412.8	73028840.66	82155473.66	94654379.15	83335080.87	828614997.6	106190493.8	86912577.81	82902620	120858653.9
APGPR Enterostatin		1649289.39	383664.37	699305.2	1758407.48	1928468.64	970524.58	2841626.23	2226103.39	1151359.22	3765011.78	2663361.42	3685664.32	1053802.39	3477180.84	1843033.01	4067886.34	5185787.66	3508129.86
4,4'-Methylenebis(2-methylaniline)		332532803.6	379034247.9	339529504.6	280082309.5	342323481.4	336907936.3	538646651.1	439679283.1	432128989.4	333079391.2	397317648.2	366224089.1	416708263.9	331721040.2	437391112.4	335518943.2	317173886.9	320636416.1
Celastrol		7666612.75	4395720.68	4753677.61	10097377.44	10958860.13	8521128.43	6663389.48	5331914.22	8014879.76	6696499.04	5149888.69	10985813.29	6937382.66	2437204.39	5222867.99	6127731.95	4409062.02	4147917.18
Lithospermoside		1111351.98	355453.86	345661.98	1341629.82	5972519.42	963117.04	1798545.3	4623572.05	1115881.69	2990283.34	3114072.63	4112438.5	3524074.02	3716941.96	3320273.03	5825949.26	3325471.65	2722428.03
Isopentenyl pyrophosphate		253448957.4	220648933.2	232034885.3	208809978.3	213607142.1	279703425.3	229665749.9	174245263.7	219688988.5	209116155.3	229622291.9	225720347.9	199904675.9	235494011.1	194180963.3	219367994.8	217944246	186459759.7
N-Acetylcysteine		104707786.4	111716135.4	62862736.01	47321070.74	109164614.4	26634165.22	69706253.53	146307446.5	65950214.8	99739656.64	93675349.91	85794331.13	179030656.6	188535979.4	200143046.1	75306991.97	10151723.83	95401545.07
Piperitone		57078226.86	55795299.87	48945891.67	68381657.02	78759937.55	34793164.05	40917330.98	66273611.49	33900455.35	54180230.98	47307093.31	67747216.48	57127872.36	52530002.36	54373584.78	40816734.41	70862953.73	78018326.82
N-Methylhydantoin		48138030.66	52910338.37	71326960.9	22142327.76	49054350.19	22960696.61	46404695.23	55632283.39	39179494.2	36314454.53	49321751.42	43665536.42	54464696.86	69439005.47	80460980.67	35708832.62	79064438.59	27840227.58
Hexylresorcinol		37577430.14	17727911.76	10628236.12	22450700.42	29652628.14	4365177.45	11741532.96	27086571.75	8260780.56	16101345.7	14658908.01	37625490.42	27407027.16	24337468.85	22973521.32	11769945.98	48966213.92	27622553.45
(-)-alpha-Terpineol		118237222.2	95241920.71	95874342.8	86507709.39	109830130.9	97907641.08	90133009.8	143324575.5	89633770.56	78117622.58	72735207.16	87153839.02	120226916.5	89400798.52	105878788	71032659.62	113004193.8	132847541.4
Ecdysone		2084835.2	2116818.28	1427631.77	787048.81	343373.87	136743.41	1109270.29	2128466.34	1198206.39	1498241.38	1022225.78	803517.74	948227.39	2305673.03	1437091.53	836143.77	1570724.59	1735812.47
5-Methyluridine		231606837.6	216860745.6	132574897.8	354679974.5	747854151.8	185334991.1	113259721.1	349425753.8	90519650.67	854636708.3	623324200.1	313371465.8	720082351.3	427777726.2	465011625.3	589446407.4	1063465561	204489638.9
Tyrosine methylester		36428721.2	34034632.79	30101509.12	18578066.6	33918447.91	19771928.62	31518820.21	40033094.47	25987338.77	31804301.29	38860360.57	32281934.73	41063622.49	64669322.05	55453339.13	35499210.36	41530190.99	36480124.55
Cinnamic Acid		9746982.32	22919799.01	6468591.33	6301316.55	11074480.54	6759889.61	5948385.05	20791093.32	6257349.35	21362040.59	9187378.27	7270078.66	32968892.5	72424997.68	74664178.37	12761931.68	28695699.7	12167086.47
Phe-Pro		53950446.21	127766970	8262628.62	82771190.01	100399622.8	49584631.18	11539058.71	73452085.02	13865634.53	89453894.11	85211829.29	68306219.6	26740077.85	62270681.73	176074589.5	80692372.15	66434258.33	135955706.4
Lumazine		99211949.9	86323499.76	73198811	45222022.74	55857674.99	32383400.47	75739807.76	81549011.58	49763693.77	58703621.61	51225566.66	47943398.8	146843589.9	143782290.1	134522047.3	63016575.6	60426165.27	53109501.64
Hyocholic acid		42242623.99	10295438.32	10845849.78	5524855.1	26758625.03	31573913.29	17016355	9036706.99	30534159.11	17606211.72	27796862.34	41073015.31	37346234.35	19288552.13	7224123.15	19574833.06	38117977.02	41947084.03
Cyclic AMP		127851.31	527685.2	615005.54	127035.39	160622.94	1002651.14	811534.31	1128026.02	664312.28	444707.6	1487985.28	306387.71	5272579.73	5408300.46	6013192.59	101897.64	443388.06	160184.5
Ethyl vanillin		99119749.07	112407594.9	69837232.06	49675334.66	122490674	30087322.63	24597002.26	41304464.28	59654755.66	97720243.72	86746488.98	63868335.95	210601418.9	283468221.6	280975319.2	87994956.54	49894495.73	102451247.9
5-Hydroxytryptophol		10992855.69	9818897.58	14329174.01	15005005.02	1686231.77	15292024.07	12799670.87	10238200.81	13382427.72	6980435.16	12906085.34	6592813.36	8262018.51	6880413.48	5549036.13	10230345.72	9733402.69	12667476.83
2-Phospho-D-Glyceric Acid		97972207.51	258571675.7	83307208.42	536912944.5	426687673.1	26904903.12	89677811.43	427943099.1	309909975.4	339272783.6	681322459.1	731065999.1	586955689.7	396534928.2	1013659377	733784357.5	448429199.4	411220954.1
Imidazolepropionic acid		173915566.7	84632273.94	137700809.2	153821779.2	174090017.3	64676445.84	156590794.2	63895095.65	57210633.04	72781830.56	73766741.1	145191726.6	72214404.29	66725844.21	66973952.36	164510938.5	72850294.2	62615127.47
Trp-Trp		5646146.91	4521262.41	1225794.42	225659.64	314702.43	2311824.12	3810868.75	706973.55	196645.62	5841650.38	9811057.41	5746568.51	1897361.12	1995598.68	631435.65	2348747.63	1235441.96	1038127.57
Octadecanamide		4334489.96	1905192.03	1486529.4	56938532.93	82890335.53	15651149.46	2201784.56	2149581.5	1483703.62	70349836.63	57459692.83	46915735.18	2687574.59	1373014.31	1951700.1	58106429.4	60672415.65	3159545.53
(2E)-3-(1H-indol-2-yl)prop-2-enoic acid		46179438.69	94828248.88	31131235.19	58463678.89	212804258.2	14919447.34	34994225.74	73764909.05	33285697.69	45876622.81	99885849.56	75470153.57	246774007.5	245314962.5	216954013.8	102050494.5	234280243.1	181888657.6
Pelargonic acid		37535346.4	16746139.36	16073273.56	18109403.83	19626571.08	10633117.68	22088310.98	28080429.96	13165744.43	21427166.66	23677054.87	18770213.46	14027031.59	22194802.65	21484769.12	19962600.66	23338535.35	25245210.74
Triethylene glycol monomethyl ether		85060979.2	70426197.62	75044358.63	89782309.6	82537655.8	97371070.88	90668099.92	96654251.79	78190504.88	76012891.91	100975850.6	99289504.71	102585878.2	91390093.36	82285171.21	96120935.38	107637544.8	99477295.17
Paraxanthine		601473910.5	600188375.8	664326923.2	681991213.8	607465869.7	724723848.8	624391644	623014563.5	759017216.5	576475897.3	658100033	598858052.6	651719043	535051538.2	631834270.1	635651858.6	560969482.7	631296896.4
Linoelaidic acid		2837018.7	1237648.37	2772197.8	109488452.1	136126406.5	32604743.88	1291877.65	1489072.7	2017855.76	101143636	77218790.53	77586240.91	2507525.53	1946770.05	1210431.63	71655990.18	74145175.17	578342.32
D-Ornithine		31518745.32	22171169.47	16126138.88	16700492.35	17430384.45	4918926.9	13910942.8	21936423.08	11849779.24	10035596.51	12453067.19	17591171.95	30584330.89	43304805.26	18573628.45	13746148.02	15398327.62	23328918.51
2-Hydroxyfluorene		14245404.07	30978723.53	38987625.77	23475553	38362402.82	65704238.33	18141133.46	38629809.94	23471353.21	25250403.25	24839027.48	18346084.04	23254491.45	16011208.27	13460763.11	29391695.61	12664187.12	11554833.7
5-Methoxyindoleacetate		39072178.64	68964007.28	153761424.6	22845985.75	86069138.76	44229935.98	152615546.1	38863456.66	14735373.29	75594275.15	118423276.3	45196144.11	178008917.6	64167205.49	238795055.8	65983628.05	50668959.5	61703234.33
Glyc-Pro		16607084.87	16249315.37	15873306.25	61289473.71	14848038.38	11540317.14	16218000.32	19317216.6	9472802.34	14136371.49	9447896.19	18443426.61	17517027.23	20731286.38	16883590.35	17820997.97	15751420.75	22968977.86
Asp-Lys		35743443.39	14846462.23	72404740.14	55288608.04	96006221.39	69060890.15	32377085	33402892.77	82651402.17	120283979.8	47999179.6	38340272.44	60024951.31	48372164.11	87841366.79	144271338.6	336399336	54977161.69
4-Methylcatechol		15295547.84	9984337.79	10909901.57	6617779.17	26036443.51	6056284.26	7296784.34	18474246.97	5996216.45	9056261.4	22519751.77	7000744.71	30434822.78	45708302.44	44439128.7	13112255.67	19403989.45	29364139.44
Pregnanediol		12159848.46	13518611.67	7287919.26	1225956.23	5676378.85	611781.07	7187763.46	16307914.86	4809008.28	7453919.8	8236006.73	4194486.9	20971956.48	5277871.78	29562412.17	4283683.99	6680884.39	7289878.05
Aminopterin		1672140.15	1578125.48	909656.16	616448.68	1033171.78	887599.62	363787.86	2257923.81	1753276.24	1156475.59	592631.91	557450.26	13842171.01	16891226.04	22169467.82	900704.23	2930095.33	2285491.71
Tosyl-L-lysine chloromethyl ketone		9809264.55	5168136.76	3743836.86	22061029.46	4193385.39	22430950.1	1716613.16	9112871.11	5426063.94	6615836.49	7858742.71	6168234.78	34197012.43	12186407.02	37496699.94	8524036.79	2990494.42	8037594.72
5,6-Dichloro-1-beta-D-ribofuranosylbenzimidazole		2049121.13	4257610.65	1464398.92	5426792.92	10471829.89	2869344.24	3236843.33	455019.25	609774.95	10073876.76	9818100.41	8938079.33	2748965.11	2576987.33	20603223.23	11966944.92	12655973.83	10135338.01
Arg-Ile		5304488.42	5002104.08	1712161.08	17950453.85	26715131.34	1600160.63	2116060.34	1434962.81	1040897.19	19337221.15	13473790.76	10779379.49	5805910.16	4188424.26	2639360.27	14720297.75	17310900.45	4474710
Isophorone		10475083.46	5458544.05	1781089.37	21966687.86	18961847.43	8432359.27	2645928.49	5982832.58	1657008.19	16010196.19	10889577.83	21235944.08	7810747.93	2880121.35	2955910.11	14734042.4	9667651.92	55917997.78
Vanillic acid		57792815.47	52977587.93	44729864.05	68079601.53	93527874.63	102353807	66610478.46	47982447.63	46841551.47	111450235.2	94216444.75	84311309.91	58699071.09	85661982.68	53412473.85	85336038.98	84338618.05	93934182.44
Tyrosyltyrosine		3269012.99	478822.42	157947.67	1906062.56	5862620.12	2752245.33	220916.59	4137102.38	3243144.21	15638833.91	6540685.84	8193149.73	11297294.37	29466124.76	15380539.41	5341155.31	8725403.34	7789869.35
Medroxyprogesterone		1878384.29	1882380.5	1661081.18	6864844.17	12196776.7	4283467.42	1792945.27	1179142.03	2992802.66	10238324.04	8950081.46	5927480.49	3651054.75	1315417.46	555092.69	8747449.01	10328906.23	5009110.01
(-)-Anabasine		154297158.4	248191407.1	85025975.62	97072582.03	112017942	96532303.27	158890050.9	424694364.9	88551232.49	735933276.9	94503724.38	137192448.2	444263513.2	160568312.4	399054937.3	194326614.4	197925828.4	401439656.9
Piperazine		47205143.69	108089933.8	51029114.17	18059986.12	42657413.42	33184720.49	57963430.74	49135977.78	54125415.6	39877080.63	83133872.27	75669713.27	241267587.7	311402527.3	136937213	38759033.55	45931713.21	84308180.83
Adrenosterone		65900277.33	51680556.74	34145672.21	16336787.51	29381707.35	33912022.25	57118750.4	36912663.26	26845273.22	33287285.47	20097976.4	39907643.23	64265521.45	24802224.43	46276541.1	19268424.63	51879003.78	45227696.19
Furfuryl alcohol		16628851.7	15157208.92	28799155.75	13017965.92	17685627.69	11947780.12	8584021.61	11024593.41	8885049.24	18930305.74	14193416.63	15858864.8	115120549.3	32736182.46	37424861.26	29218810.86	24490036.95	29367205.94
LPE(16:0/0:0)		7966902.9	9355190.6	2974488.43	5164340.43	6643898.76	2170795.18	4545188.85	9257951.4	2662213.72	8155949.64	7311093.49	7258417.83	7222835.62	7443752.05	13355179.19	7144166.44	8277257.69	1984438.94
6-Keto-prostaglandin F1alpha		6460934.84	13761586.91	4058355.32	2559783.59	9363184.75	553366.68	1279649.7	437619.51	1187293.42	8522282.97	7397904.56	7911882.32	6646590.18	1258665.18	16572690.68	11501079.86	17998906.08	17453916.05
LPC(0:0/14:0)		21544721.18	8024662.98	2305219.12	482028.5	3862291.23	5906634.7	3575816.43	2954493.59	740468.75	9369548.44	10974636.93	10423739.99	7031126.51	5891730.7	5292716.93	9133330.28	6461485.5	1559808.31
Methyl nicotinate		55471518.52	56106900.82	38151607.03	33227808.13	54310472.5	27543083.52	21266998.84	33042700.22	24879103.37	39717381.56	34313592.56	34185176.75	99536426.92	88196920.81	90686157.39	43938590.78	50077533.63	53144955.59
Dodecanoic acid		61434748.88	53524541.68	58762488.97	65394701.93	66856959.37	43749933.85	73788101.91	56446266.94	71640791.18	64643049.12	49497287.03	62239258.85	52263049.8	48768388.61	87730010.33	50503047.9	54940412.48	63476921.78
Aflatoxin M1		382.81	358.51	400.41	386.65	383.09	379.4	375.61	344653.32	394.82	383.19	383.19	383.18	384.93	985685.99	383.15	381.51	9271.72	1915.97
Ectoine		90353183.87	87840619.82	76979950.22	87571087.03	97038289.11	106328512	95374640.26	85125537.87	109252417.1	127345233.6	121524486.6	79473330.78	72437224.72	56329319.29	55599615.6	92599499.15	89659314.7	224155355.1
2,6-di-tert-butyl-1,4-benzoquinone		47557233.39	41910552.19	33895272.71	31084705.1	32184099.29	15531413.72	33194127.97	49586447.77	28821467.21	22523632.34	26445844.18	46727448.72	62197517.46	44088281.81	39260920.72	27199745.25	48427946.88	54578354.8
L-Palmitoylcarnitine		239440238.2	268786804.9	168461215.4	404241116.7	365233035.4	176055281.2	164777581.8	245579929.7	85989242.31	354906953.8	290720082.8	256573926.6	498001651.5	366282506.4	537215503.9	387379550.8	506034135.7	332036488.1
D-Proline		354095677.4	158145118.1	432784170.5	63120828.38	57127703.13	422652074.5	235862923.8	37040792.37	19951509.4	46490685.4	55964057.62	56407849.99	125419680.4	106631773.8	67172930.11	60860199.73	49585855.73	57796068.75
1-(9Z-octadecenoyl)-sn-glycero-3-phosphocholine		16499859	24577069.86	17341698.89	13868201.62	22696722.87	11978857.4	18661535.69	47441814.21	12860304.18	33764998.73	30170573.59	19402208.61	17204986.18	251172059.2	42070526.95	29398960.55	26682697.73	24565648.63
L-Leucine		15765754144	3061348942	1556976157	1544589186	2873285853	944674157.1	1354323227	3640274234	1615123532	2590406994	2532302773	1957540997	36195892904	23546019478	9536910997	9717649380	3653036392	3407919847
1-hexadecanoyl-2-(9Z,12Z-octadecadienoyl)-sn-glycero-3-phosphocholine		37553671.59	76746046.64	282010592	14667278.48	10099022.12	17682536.68	21727720.9	44644528.72	20242202.6	6186314.8	10295417.01	15245984.61	16244637.19	28844118.78	17470682.01	6675736.45	12103821.34	13079390.71
Carnitine C3:0		308509325.5	351512568	128606986.9	40763301.52	141862693.7	98505231.03	122705482.5	417571986	153260264.7	198145855.7	209262004.3	203290373.8	100983672.9	240360890.8	113372083.6	104266707.6	96678440.23	158775454.1
3-Hydroxypalmitoylcarnitine		43762193.98	46416063.14	4747136.45	59358259.54	76384068.19	20313608.42	22735354.04	35115868.09	10527049.38	55852015.25	48012486.81	37056313.9	102378191.9	82892475.73	86422322.54	85749106.67	77823451.67	70336293.15
Pyridine		69867504.75	81761061.49	98377640.67	116418439.1	97138167.77	115890445.1	2289423.3	1562720.05	103034313.8	107333388.8	76411459.65	108419285.4	78363672.89	74365002.88	95198493.65	441446045	85769325.91	86978619.29
Diethyltoluamide		101062464.1	78503433.05	57295220.78	29849851.32	32625950.91	20758955.46	54904329.22	83494544.31	45195119.09	34960645.19	43945329.92	59153805.76	113245693.7	68738056.9	97238251.85	37682672.79	51202640.87	52919057.56
Levocarnitine propionate		3331412.22	4840048.76	17094335.34	666805	7585044.1	731123.85	13986917.14	9957303.85	1024338.79	4194551.01	2332086.24	3693033.19	4746540.79	7242890.49	684652.19	3763213.24	5042471.65	32681676.16
1-Palmitoyl-2-oleoyl-sn-glycero-3-phosphocholine		105140890.3	162281923.6	212686301.8	229789711.3	123109305.2	194034293.4	204462775.4	238757180.5	201020808.6	241419103	202631476.9	108579831.6	210468617.6	169474964.5	164698328.3	264827639.2	254071457	241594770.5
2-Mercaptobenzothiazole		10065600.39	2876172.12	5588376.94	34666231.27	38890977.59	16545900.2	6445778.82	2482680.09	3694369.23	38408999.5	34211000.08	28274086.87	18914953.41	8278734.14	10673098.58	30673538.35	27534752.52	44482499.64
Carnitine C18:1		77208410.7	37411846.64	53715943.56	81190839.02	114182673.5	11327504.34	35313332.54	92829363.18	23033097.48	68986031.74	42850998.4	43420496.81	116550573	198314154.5	134028661.9	56619612.11	83036145.26	157945504.5
Bis(2-ethylhexyl) phthalate		43273620.32	31653790	50010069.7	44298203.35	156223712.4	253649028.3	29725914.14	48950120.78	52708278.17	34063439.48	175470481.2	227379093.6	52530762.12	24249093.37	159326070.8	86238856.14	218841437.6	181538450.5
δ-Valerolactam		162164771.4	134396494.3	74022133.44	123101027.8	70102737.81	71045979.37	88868325.1	95140633.97	66962111.16	36337355.65	63215690.36	150229157.5	124166745.1	92410134.61	74626555.16	47515874.46	89438159.67	141972345.3
2-Methyl-1-pyrroline		48309504.33	63684476.08	34626828.71	55240606.78	74978602.07	54800199.79	42445968.06	66821657.68	744146727.6	75959064.39	80262268.22	75843544.06	80988709.44	97181199.25	112833712.1	87511304.68	68606529.99	61373626.37
2-(((2-Ethylhexyl)oxy)carbonyl)benzoic acid		627394561.6	663236940.6	704543088.3	663293095.6	564582245	744989664.2	720869676.7	565513213.2	709613791.3	784956298.8	630785556.3	658683851.3	644469444.3	433938408.7	632490897.4	667587184.9	685970864.8	707297626.6
Pantothenic acid		1661543273	1815106050	1299176158	777671580	3552310654	1003896749	1432799450	3584854437	1062638497	3409759952	2401704835	1879335680	2215951778	3723363838	1615879813	863772842.3	2391934504	2344582546
4,5-Dihydropiperlonguminine		190679489.9	189356301.1	133422165.5	196019875.6	179827450.8	51191887.32	130517191.9	219355058.7	115828056.8	125863953.2	113536212.7	203733174.5	212466214.3	161868787	203762937.8	103913381.6	223132300.8	213722748.6
Adenosine-3'-5'-diphosphate		34736580.25	25651412.25	41141409.13	23533430.07	34743730.7	47071064.44	32859919.87	16140543.3	51675154.8	59341584.52	40754108.73	18478478.86	14633148.88	2469908.17	52483783.5	21070338.41	77575432.3	23654083.38
Disogluside		70588846.06	49379405.33	25245878.42	51606158.89	91978783.85	30334915.05	34905407.92	35168901.58	19306912.83	13442284.17	44463546.7	45848862.95	44009596.66	19917388.42	38815891.86	57844219.85	78722987.84	5685232.81
Manoalide		39734361.89	115367067.8	64450062.36	526397345.8	368896104.4	341302688.1	82531662.5	73072685.38	56759607.4	489086372.6	374353436.8	285394981.5	30226937.62	39698516.29	76364558.02	452720762.1	526816090.5	20274803.34
Umbelliferone		3618115.31	3194829.2	7260179.49	13076594.46	12362003.06	6831183.63	7401728.6	3238720.92	13930486.66	198959560.5	6972908.84	3225103.97	75637992.4	9822712.46	21829579.28	13681121.66	15438083.09	28569939.28
(2S,3S)-2-amino-3-phenylbutanoic acid		70357400.64	62273639.75	42112897.65	36900467.07	59379976.51	40753132.11	60822122.54	55402091.34	35261980.31	60489772.66	82701282.04	63295822.87	78661544.17	147535190.3	77700784.57	56584964	64783226.35	71289819.03
Atractylenolide III		14419957.58	18613575.36	18854521.35	13340429.69	22741934.07	18069802.09	12157524.59	19963493.8	17766086.4	30785651.8	18361484.92	19038452.45	24402960.64	18718719.96	17325472.66	17381257.36	29618514.83	21732192.51
DL-Pyroglutamic acid		70752621.89	54291200.27	63917261.35	47112811.05	4975581.04	115264901.6	61897455.69	36874274.44	68044055.4	86350995.98	31470322.9	64590392.02	89075045.77	87010914.88	72895217.07	1200311.38	55492987.08	120950536.1
Gentian violet cation		16377380.48	5552795.4	20878723.29	5843634.04	16897932.32	7195409.82	8015532	3868870.06	44624225.2	8099880.65	8140035.99	37931793.79	10870577.48	6786265.27	186726347.9	8807477.85	6226322.05	12718099.79
Colfosceril palmitate		95307720.96	74790658.06	46608183.89	143009442.1	42031925.3	32925403.54	106420272	32884819.5	32282718.7	34242522.49	37422276.38	25462961.76	91405550.03	87945896.45	29322184.02	67056244.14	77937032.92	81168395.54
Crotamiton		7582377.82	5101686.36	9238480.16	18030253.81	15677570.74	11787153.73	11306121.36	8150793.07	8998800.94	13922044.6	10671983.89	18880218.55	9748604.36	3893729.93	9769481.01	17976015.71	8212038.71	26052992.96
3-Formylsalicylic acid		97632640.14	42317898.68	35441942.48	40253929.5	391918806.5	46621066.39	151369696.6	57578471.69	36812189.45	31106071.27	44047348.22	75832446.41	56509848.73	461111630.1	351272309.2	39620923.1	51021850.8	50669644.79
4-Hydroxycoumarin		16879120.7	13473246.54	9794535.24	4968604.87	17040346.07	32938996.35	4778914.04	15895222.35	19578895.85	18505754.86	9913892.89	9768850.64	40335921.93	5067451.75	30586784.07	16540819.17	8417646.25	9924300.84
Noladin ether		19220891.57	20223952.01	16539550.41	11957510.37	15130055.44	22441316.9	23193652.68	33481489.55	30111936.83	17838086.88	21628114.35	19958418.43	21602451.99	22184707.95	25788656.68	17432960.04	21660328.16	25528155.58
Carnitine-2-methyl-C4		48818454.71	40003537.89	19335697.96	15238288.62	25774849.24	7003449.31	15720550.73	36178976.59	22222015.91	15809296.7	26310726.34	20862280.15	25990676.11	58851860.63	28036157.21	15111351.9	16836890.57	21093088.34
Bis(2-methylpropanoyloxy)-9,10-epoxy-p-mentha-1,3,5-triene		201577997.4	86916435.88	98791457.93	73514281.22	48639881.72	98665120.21	170233854.1	196979407.3	154645399.7	56210645.01	85341548.43	130941694.9	90410264.01	87740403.12	97589469.36	31746241.97	288461606.7	101661619.7
6-Hydroxycoumarin		86618287.12	91513156.26	108683782.3	104619259.1	100513136.6	96356484.11	124914281.2	115487322.5	98668454.34	104789324.9	132099755	119790737.6	92814449.62	85337143.97	106959137	114411945.9	117797814.7	166734039.1
Menatetrenone		539088103.2	354509869.5	127100284.1	277153930.8	542463208.4	150837009.5	299221401.5	240496866.4	122717455	323947949.5	269341694.2	299041913.9	520604702.4	108605295.9	356958125.5	392057927.2	567805568.1	3266968.49
Folic acid		7029510.64	7018661.44	4916489.67	4495648.93	6999236.14	2069616.82	4725102.52	11665156.04	7103125.46	7695476.83	6812985.74	6527778.38	48213196.84	52692392.45	73954130.15	8282444.12	10641902.5	10157719.71
Pulegone		65691839.04	72275259.31	52875442.8	73995188.58	77742698.83	33530794.71	44996530.5	78564332.57	39916126.25	58135583.5	44459732.21	75602564.43	66763137.58	58279717.09	56802753.77	44620142.28	71019549.92	82273756.53
Enoxacin		3474119.79	4099589.8	3721276.22	11593800.95	15528800.39	7894350.68	5253751.08	7875545.46	4527484.48	11986689.94	12733032.78	10778063.59	5429968.59	6278800.38	7795833.76	12321234.28	15300585.3	15249823.43
Phytosphingosine		3309352054	3285604817	3382322368	3417995882	3378737147	3391156076	2960492806	3277914761	4436940428	3239038339	3019796358	3932066276	4113315958	3556328918	3708157191	3853235449	4135099657	4025363179
MG(18:0/0:0/0:0)		17426952.69	14346407.24	17764622.57	8239191.65	7552511.85	6513826.44	11321307.29	15017277.4	19822069.47	11465908.44	12480955.87	14715239.17	15242437.25	24171035.11	18826223.59	12444905.74	12596165.1	9174824.28
4-Hydroxy-3-methoxycinnamaldehyde		60371853.93	45167550.45	50072816.67	38156899.26	23335362.89	23052011.95	80251274.76	45278221.82	57660226.45	27066075.66	29705134.19	21374008.56	146939522.8	35746085.2	45964404.08	52286193.2	24020002.68	50154141.66
Rimantadine		24345829.58	26491262.74	23728626.26	20718603.04	26009760.84	23953280.04	40043180.51	31460117.94	29838227.08	24634618.73	24952337.87	25166820.77	28512176.65	21347622.59	33132667.23	24147020.21	23618658.85	21233546.96
Epigallocatechin		303081873.1	269106156.3	271529528.5	253450051.8	275145104	221223146	260057681.3	842679941.8	277361759.3	268881618.8	269048261.3	253602080.2	818487068.1	266636972.9	223618004.1	268574327.7	245743834.9	703953068
Germacrone		50023568.93	44920638.63	29441301.44	31998574.9	38176389.98	64466294.1	19331264.13	114856949.7	24284842.24	23665177.75	25306551.25	35513185.27	58156299.76	67459842.74	101050391.5	95316364.98	35450239.01	76252006.87
Diisobutyl phthalate		180158777.9	38886084.17	128549880	107088377	161026632.3	34048779.78	72970560.16	163137298.2	147387429.5	46612057.26	95451452.06	48051928.83	125921086.6	121857603.8	209250982.4	168355381.1	125147382.8	113789333.8
N-oleoylglycine		23497918.61	5231801.31	25391204.32	24187054.51	29285304.57	27655451.89	23884110.62	27328129.19	25802918.3	26642644.52	27167778.9	32720899.43	50862069	30024239.73	50116167.99	30851964.47	63107339.46	40925310.96
Mirtazapine		45615215.45	53543072.25	43373469.73	46065815.72	71660871.91	42152748.14	72801537.71	87832080.61	60786236.17	61308148.22	64384044.76	59870007.06	64246424.95	51019018.9	70304694.83	58625481.11	66356193.94	67832682.82
Pseudoephedrine		112611260.7	140995968.6	124010435.9	119242973.8	108047017.8	162508434.6	117017807.4	98889416.69	124520608.3	93367247.9	103520834	120142570.3	103601099.8	98438215.46	99130410.29	106147414.5	91329532.31	110870059.4
4-Hydroxy-l-tryptophan		29562811.98	35270707.28	13876665.66	15444066.21	56699193.11	7628109.36	18706353.73	76737614.45	14119544.72	50515395.76	38870605.48	32804532.88	90703659.21	133885239.7	157535289.3	57524391.73	69634727.03	49929272.18
Vincamine		5945704.19	8395965.51	4129585.05	1129194.62	2211575.19	824105.73	3834920.89	12406579.99	5680814.61	1424244.04	181327.58	937156.81	14065727.98	15019738.18	15183622.18	176564.42	715823.63	213173.72
Tamsulosin		7564653.5	7604208.73	5158310.34	28183406.54	66368606.15	10194265.2	1479118.88	8267584.74	3762405.15	39370699.97	33679677.55	33059500.3	23304673.92	2928619.13	2315420.32	33007161.55	48032542.96	41859519.46
2-Pyrrolidinone		114033182.2	89742020.08	49574445.08	72794123.63	79699365.41	105516985.8	56869015.5	54656315.44	110934247.5	53602187.64	82931133.01	68971137.38	151506882.6	82211482.41	54145409.35	134238761.4	58208580.12	162612703.1
1,3,5-Trihydroxybenzene		3523472.98	5669930.14	37496587.94	22127932.32	20329372.74	32841350.85	27894515.33	24395542.74	16777443.83	26276733.66	16814464.13	24874198.57	2384124.62	20384562.49	19314075.76	11155916.99	18190554.5	19069465.09
Lopinavir		32298051.98	265565.44	1315162.95	32773972.47	17917743.58	15124134.48	24368633.53	1908450.98	15225693.22	7740070.71	21856708.46	20834166.05	184280.4	20819555.42	17591002.3	8234257.02	9782534.1	202562394.9
L-Isoleucine		177477541.9	105111115	167177321.1	56670594.48	38129821.43	125838612.5	133862227.7	27341042.77	145233359.5	55303847.11	57093354.86	51465908.33	177934816.6	174408031.5	115970272.4	63810234.95	46160362.58	22030434.54
1-Aminocyclopropane-1-carboxylic acid		28575185.15	127679197.4	136869612.3	140740154.4	136863187.3	207724624.1	180480317.3	87660199.26	195708132.7	140135373.9	96730541.22	89221287.27	113171395.6	164004543.9	118203791.7	107567849.9	95805674.11	157903328.8
Fomepizole		1459269592	1021132839	1393672441	994126141.3	990834900	1154555754	665091047.5	949962295.7	900535861.9	4369962287	1754964774	5776246767	774312444.8	1197306487	1065743096	1061976083	1321593891	1341232973
Ramelteon		1089595.64	4783552.94	1424320.92	7995833.08	27473195.48	2201441.52	6473229	14055006.06	3229582.28	17466631.71	15592471.62	6384515.26	1773467.21	816355.84	5233307.36	7762525.18	14408546.35	22519835.39
Isonicotinic acid		11899361.14	11723598.71	8084521.68	10307234.57	22308993.65	11003047.45	25822983.48	115854837.2	29850686.72	70866618.33	60894208.57	59332435.92	60034425.16	126974282.3	99127503.18	68464156.47	83461387.68	63029768.77
DL-3,4-Dihydroxyphenyl glycol		3251587724	2671676138	3194572301	2920785863	2414611145	3695939940	3075039302	2261583734	3359756759	2656146437	2859057069	2999341369	1945976408	1525204990	1527328652	2772707616	2157872941	2176369216
Costunolide		68070180.78	42279730.88	18741337.51	19699593.11	38921560.4	3462070.06	14398250.27	46871331.06	14093180.31	12015446.13	9478574.93	34836586.54	94032173.56	46762080.88	62558993.99	14581095.18	55228313.25	72575768.95
Benzoylecgonine		12158606.25	6897837.22	3381167.98	7761000.65	16838113.02	2749053.19	3382333.72	17222017.18	2669562.31	16180738.6	11340995.66	6297766.57	35660795.89	15632035.12	21487444.93	12468297.64	21457587.24	37046669.83
PC(8:0/8:0)		15157646	22100744.53	16065717.95	15316844.68	21198631.87	13623823.12	19957896.23	48876563.23	9694978.78	23838596.99	21917107.81	30196961.77	17514805.34	430433944.1	27556487.46	22848838.58	22009758.35	26751530.5
Glycidyl oleate		36807121.41	24717791.16	25983830.33	100237868.7	142021641.2	33633788.05	18998200.66	21098289.7	20337423.18	103642220.5	78240524.82	77560604.16	24029971.13	37954231.69	29732498.75	89178652.3	91243853.57	15794306.84
MG(16:0/0:0/0:0)		10488904.41	10549519.52	7665808.82	2191955.08	2555535.91	3064943.24	8613200.94	22857301.57	10482956.64	6430087.16	10368475.87	6563347.14	10460568.19	20968121.89	16258787.11	7987918.3	7041433.35	8136647.18
2-(1-methyl-1H-imidazol-5-yl)acetic acid		79860.76	79860.76	79856.1	453455.43	79735.83	81382.22	81169.43	423095.02	80057.1	80584.55	79791.71	79787.8	1067382.15	79860.76	79860.76	79850.78	535409.15	21438948.41
O-Toluidine		20188400.46	24877642.06	21902330.52	21465331.65	19922940.29	27877374.09	22475373.74	24128095.06	16616511.01	19198237.41	24741136.2	16205334.03	45215925.59	18417707.15	18713606.48	41027796.43	20831018.95	14202743.17
1-Oleoyl-2-acetyl-sn-glycerol		12240601.44	7168003.04	4241525.64	1752799.67	2149829.54	2356286.8	3477528.17	7628344.45	5275832.71	1504974.43	1523848.21	1686766.58	4484230.35	8182368.43	4559204.82	1634059.41	3454213.59	7932327.72
Tetraethylammonium		273275066.2	267340409.1	248607853.4	239672353.8	264247790.2	183567253	228780048.1	282036523.8	220218762.3	219357782.7	230256769.1	257593340.9	257826179.4	250303874.5	652276155.3	218124212.4	292406329.5	311683732.3
2-Methoxycinnamaldehyde		57193370.66	28329744.95	26974462.03	6481989.26	7579081.75	37104196.52	51676831.26	55582489.78	46943259.24	20506320.27	25798074.76	37243290.81	31105976.2	25563189.72	28345225.31	5570507.81	84513246.99	25373271.11
N-trans-Feruloyloctopamine		1074288.65	1197525.9	676062.75	500619	503887.3	131066.91	842573.35	2484589.73	1081333.88	395354.05	227434.49	381479.83	5118654.44	6662562.38	6597161.69	121335.6	740919.22	1042871.68
Limonin		26080878.12	15996367.06	11342024.74	13885676.51	16436750.54	10471953.56	13072399.05	14588379.78	9768115	15035418.82	13414399.86	13340443.76	10392804.29	21427105.43	10480181.12	12618976.32	11099365.83	10418109.52
Tetradecanoylcarnitine		72040638.21	59045239.15	62024217.88	56284529.19	62138286.43	55142854.41	48254912.74	56824445.46	55363901.31	49834411.38	50909559.23	47915936.48	52337372.48	47671181.48	51619965.5	49349044.54	47157582.74	49761741.99
Enalaprilat		21575377.09	23775908.47	12300918.05	84369355.79	264016599.4	20256731.13	14102377.82	38517969.61	9641543.72	134581847.6	102038927.5	106843014.1	54252761.54	20339816.86	29353265.99	138452334.2	213470085.6	183821338.3
Ginsenoside Rg3		29478495.08	18808799.98	7702598.54	4795984.88	11058702.36	2885209.59	11376655.45	10083325.95	5994201.64	6313519.98	4987292.11	5027529.07	18484498.65	7630708.13	14166486.79	5581411.1	8049526.08	3854757.38
Picolinamide		153184242.7	131696641.9	154272758.5	1050641163	112685202.3	114551217.6	109489122	126206486.6	131242538.8	128952775.8	116758715.8	136293971.1	121761030.3	177138981.1	190834137.9	136670451	123988875.7	76078536.51
8-Deoxylactucin		15497791.91	15690661.5	15385590.45	16066769.2	18368013.21	39653485.11	27294226.06	16578364.22	17190279.58	26278588.95	27286601.59	38023798.6	19269580.75	20490515.29	13575926.72	33781272.11	28727480.17	21229515.01
Ethyl trans-2-hexenoate		5842971.07	8633452.51	8012887.13	5396651.99	7587500.59	3347964.52	4187203.7	3876899.21	6384168.73	1203715.28	1846130.1	2914195.89	3124567.06	2171180.87	5363404.38	1490317.72	2135337.52	1958024.69
12-Methyltridecanoic acid		2111511.93	2520804.89	2914621.03	16913756.79	11453856.46	21471966.13	1654485.06	1055676.29	2544365.16	14695569.53	11149506.31	26696186.09	435312.93	812434.3	4845852.08	11051079.8	13180919.23	978244.34
1,2-Didecanoyl-sn-glycero-3-phosphocholine		22303404.01	15362264.65	5381957.07	27824427.08	67236484.11	4084858.61	13497283.29	13088128.36	3965776.83	36977979.77	20028611.57	834139.27	24904490.45	9026978.43	16472363.77	40586825.8	61094160.49	22358360.3
1-Stearoyl-2-arachidonoyl-sn-glycero-3-phosphocholine		69494107.56	45985247.65	36602131.02	48692740.33	28573281.26	12941850.93	10665579.34	29170799.91	17415657.7	31807422.63	30989222.79	20693936	24657666.54	15742208.75	3467929.86	9889374.71	27222322.77	35775695.59
Flurandrenolide		13491598.75	18232288.3	7553545.39	42853373.05	144033121.5	10252658.2	8586541.26	18656468.1	6030100.14	67207831.86	57371785.9	54399323.64	31647929.65	13746046.98	16148068.72	57173512.36	98951979.26	91599380.7
Hydroxytyrosol		103160887.3	110088046.4	64943382.8	52509419.76	103363476.6	39341822.55	60352789.08	113177073.2	57732365.18	97924242.44	94498481.99	79779104.19	208406662.2	228083343	253393990.6	97934245.57	118701017.7	95242981.51
Dipivefrin		32222868.1	18459031.67	20723101.27	26637458.87	62341746.62	8954500.93	23886320.66	57706258.46	23983601.19	40576949.76	40694573.6	24078938.12	95792473.4	91731374.03	99350199.44	34478624.16	31550584.46	20697895.32
Morpholine		133304606.7	119382967.7	101912996.6	68579045.18	80665873.97	329949811.7	95838566.25	119342888.4	111345595	92283463.68	60405967.13	74461848.51	62148476.88	112769133.9	88871716.27	109851835.3	86169916.45	106750061.8
Stearoylcarnitine		13988354.65	10555819.6	18783796.63	9370653.39	12924463.65	11607095.62	9475576.57	26082915.72	10167052.74	9226298.52	8270087.01	22415381	10406281.45	6360558.76	29760143.17	8461646.51	35821806.93	34313372.17
(10)-Gingerol		3223844.23	2384826.26	1256609.4	283332442.3	190829464	45639940.5	1325837.93	576196.78	329691.83	102653021.6	113557555.2	222280015.7	1208067.79	567974.52	482489.22	168066399.6	146472244.1	2157343.49
Cucurbitacin I		4881464.09	6247418.52	3051354.36	4823800.05	8035192.11	2994559.4	3591994.63	2331868.18	2742691.91	4761547.28	3251325.33	8962850.4	3326816.49	2295996.59	2561340.9	6355435.14	5031580.93	4201222.59
Diphenidol		52819110.91	37670376.08	31087881.79	11814158.69	35291576.63	7493468.22	58291219.62	120380391.2	33206552.18	41040321.6	24262650.23	31484062.56	85972994.98	84141009.55	106716527.8	29491491.19	34695942.38	40048138.78
Crotonic acid		116224334.7	111880232.3	127253098.8	118720587.8	121265729.5	129612288.5	121656747.7	113320802.6	133717834.1	123008535.6	108878500.7	105508075.2	131568528.9	129668279.4	112036902.7	119502289.9	118685414.2	124638857
PC(O-16:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))		8270603.93	769499.01	767874.18	3969742.23	6475017.46	16678279.27	2960684.34	560752.88	411288.8	12511642.73	5104533.29	6337320.56	10482870.04	515651.17	1676729.54	5293175.14	9484326.79	17392430.94
Isocitric acid		53465193.08	81313546.38	40201299.36	40324328.23	57767832	59434885.74	74562854.37	51131096.71	57152534.53	94390818.96	90105744.18	86224807.91	100206536.1	97727428.74	105443008.3	90343917.97	82272111.71	52616690.11
Sethoxydim		2671036.4	2291929.4	2577690.79	2668171.46	9825123.31	3651823.84	2582317.81	28215315.93	2244005.25	3226493.84	3406734.34	2486064.14	1040638.32	8986235.9	3982396.27	2046910.42	15775456.83	25404072.53
8,15-Dihete		175403.68	175403.66	176831.65	4697763.53	5798720	1385776.88	175403.68	175403.69	175329.08	3819584.39	877018.43	1014048.05	175403.69	175403.69	175403.69	3498533.02	175403.69	175403.14
Clomipramine		6998053.91	5959589.66	1813188.37	2045294.45	5907506.58	484099.49	3110983.95	13910007.87	1262729.18	5118199.35	4929320.53	2474079.98	21284438.49	7300105.95	15944831.36	4849514.32	8892154.76	38477825.54
4-Hydroxyphenylglyoxylic acid		41159152.37	35750981.75	53767242.6	17173423.87	279511059.3	24475398.76	48884348.29	8542756.71	65589242.03	62311722.84	56320096.82	70538240.75	51632157.27	60685293.99	70275905.89	57132394.63	42458703.79	42963516.59
Shogaol		52148202.08	24690591.45	13678295.32	8109371.74	10997892.17	3468461.34	2903366.51	22178636.4	7862460.62	9178565.88	5084734.77	8113792.12	40796673.66	11724668.18	16221764.77	7910220.3	12789854.29	30522964.85
methylcarbamyl PAF		2390683.09	1854796.49	895996.82	27651740.65	43155381.2	10696786.38	1837047.58	2519481.17	1195634.13	32473779.97	24757446.8	19871544.04	1649144.93	2026663.07	1824333.79	27813641.77	27394639.73	6072732.42
Desmethylclomipramine		4559908.88	7045843.55	2968316.18	1097838.12	7407201.11	974334.84	1549747.51	14361198.2	1009168.12	6485260.69	6451539.73	5451452.18	12670798.78	13627042.67	16530954.04	6403316.77	14355272.45	13551957.57
4-Allylphenol		294339065.8	191052253.7	186309890.9	167128720.9	189746646.4	190891548.3	224721492.6	274613295.3	271432860.7	151729153.1	181452711.5	212411302	228627627.1	200318101.6	207985779.1	119642793.9	385015824.6	206719053.2
Phenformin		26119510.54	22385669.7	26226669.68	24363127.26	23281738.64	20178769.5	37008944.2	24133869.55	48267773.67	19531749.35	13864565.71	21530473.31	24092142.14	19752889.79	24034432.34	21075320.86	19743714.73	22232683.94
Bucharaine		3205378.92	5237929.78	2700099.27	988174.78	6735016.38	868867.19	720135.16	8981808.25	897119.32	6986445.13	3348878.91	3308860.49	7883001.29	8669567.64	14560241	7381306.53	12165357.83	1413195.1
LPC(O-16:0/2:0)		86124994.42	72199378.61	54236922.95	49253656.93	104456272.8	38416282.32	52008512.05	73673099.14	42311166.83	70089105.59	87988735.2	60340276.48	60614240.21	127517462.1	97557417.07	75407895.96	64106247.94	61091645.17
Terbufos		157822695.2	153962409	145109924.9	153666362.4	155279003.6	112426822.4	144045050.9	160920076.5	139385065.4	128576356.6	123911012	149543784.2	183788144.9	138643830.5	139771582	126213720.2	156482577.6	155350659.4
Ethyl hexadecanoate		95451621.66	107488964.1	83252532.78	84240243.16	84349161.78	46514797.43	95808329.45	130508927.5	64706681.99	80345539.42	73516844.54	8265378.28	80087959.96	54998421.26	89782093.87	72784049.07	92003185.92	98535350.46
Pergolide		911763.95	2703366.23	920387.95	152554.58	1204649.42	136771.84	1793193	3399303.25	498698.13	1619298.56	1533485.34	866525.69	4336536.91	1289172.78	6767966.94	1167105.43	2121478.38	1167918.53
6-Methyl-5-hepten-2-one		28477405.76	24110585.16	21075379.35	23528641.25	25688187.18	18676839.11	23241444.42	28608072.78	22634453.22	23860057.6	19554871.31	20644680.52	35155122.51	27030460.16	42957456.02	23693426.12	30311438.69	32124669.27
2-Acetyl-3-methylpyrazine		2008775.05	6270148.69	3938986.49	12146107.97	9253318.69	2026277.01	1606615.91	65767857.23	2893274.98	17698667.58	13857319.25	11951221.5	555309.17	183139283.7	18640410.9	14434192.87	79882796.6	30763246.71
Docosahexaenoyl Ethanolamide		45476765.93	62745134.17	44059113.33	9118583.64	31207881.28	21489586.32	8880453.83	14293897.41	43984667.43	12474212.78	18985711.98	19218605.77	49173169.93	65223385.37	79844622.04	44992821.9	21163060.16	122561249
Monoisobutyl phthalate		264801115.1	150982767.4	142399830.9	112801897.5	91228976.1	124239422	214426370.6	270656248	190173670.9	87327219.36	115914561.2	207907053.3	159499926	178201929.3	151908873.3	61491330.81	362967268.4	171342171
Pefloxacin		18565280.18	21889322.61	10731104.4	107744511.7	186749925.1	32139641.58	20902117.38	118713622.9	15040511.31	151169882.4	118165871.4	50516705.44	38936800.5	49625391.32	42712030.22	115838775	301205113.1	57358119.68
Methoxyphenamine		1275215992	1106809914	940060923.9	1196459258	1193274534	610084545.8	1189778599	1482071910	804681185.8	857860726.5	878885498.9	1310002471	1177989608	1167002852	1015942276	796718403.5	1367362936	1598116076
2,3,4,5-Tetrahydro-1-benzoxepin-3-one		33897428.16	23660718.83	20982920.45	21751086.93	16092219.06	18795816.77	30061299.63	39520904.27	26000877.47	22316984.26	99395214.99	44726268.75	31663346.07	35823817.95	31084522.3	16012151.89	55911832	26062245.03
C-12 NBD-dihydro-Ceramide		720339.29	273048.25	100017.23	73843219.79	87884273.8	16355844.37	342901.78	121064.72	185324.01	126629998.2	51839711.41	62375586.54	717283.17	162448.88	290591.4	104965294.3	112484961.8	3735106.68
Ajmalicine		3932344.64	5894427.36	967763.57	710696.52	4966202.76	771871.6	2807467.9	10771920.95	767431.42	3839039.78	3656983.19	2297618.26	10215884.37	4725113.98	14838433.11	2531024.82	6932656.12	5651722.06
N-(9Z-octadecenoyl)-sphing-4-enine-1-phosphocholine		118826136.8	1183334.54	230665.73	51695352.31	39920448.11	98202946.42	53001119.13	528794.3	14636348.71	27287839.72	141011432.3	59259128.39	111903061.3	18689447.98	45796014.52	23448340.43	71626386.35	104554440.6
Azaperone		33130425.93	20187181.29	12590496.42	17454322.6	29044295.66	12319583.61	24239308.75	30133120.59	13337209.8	25773590.6	22623425.66	43544137.73	35121409.36	24810271.38	22625985.21	11825637.39	50266982.91	28611085.25
Galantamine		14908990	15371110.94	5675799.4	5325800.02	8283144.26	5877620.64	9442090.26	664771.92	4366996.38	16311763.2	11431254.6	12425176.03	4062677.47	1374705.19	1588929.22	13439097.63	16604901.44	12081815.17
Obacunone		125865521.1	25977471.82	26247164.89	21178736.95	132398226.3	20058215.15	24380267.41	29101051.74	105277975.7	5865395.56	18096327.48	21937465.48	12342681.48	63577078.98	32483850.05	20688253.45	39732473.29	97913479.62
Oxyphencyclimine		3074791.19	1907684.61	1565733.68	762594.04	1133033.01	126302.32	3105082.28	3497699.9	1084594.56	2740253.42	2143924.58	1157702.64	6194450.07	2588023.9	7174236.58	1323288.56	1830343.87	1572546.58
Matairesinol		3867324.15	3285697.03	2557763.62	3274202.97	2131286.46	1420274.73	5685144.83	1390245.19	4275694.68	2299343.44	2978259.85	3009347.02	2929619.25	2173620.96	1062069.8	2870460.89	2738334.19	2268802.73
Hydroxyquinoline		38285510.15	37854815.94	151997246.1	20390353.34	52456711.41	64280746.11	149529423.4	48789145.39	24657716.08	41668552.57	28451089.62	28276606.36	86448797.86	104513296.4	11411296.67	29512264.97	40043695.58	203133796.8
Felbamate		236828512.6	285334896.8	136429289.4	144157592.8	238967360.7	91828141.39	170140033.3	376197787	182524022.7	252287699.6	296358268.2	272415378.1	1085384280	1568740805	1454164094	258092890.9	316478215.1	243319571.6
L-Deoxyalliin		105471337.7	129866367.5	38450092.3	41377931.73	79779466.8	14150705.85	63192228.54	102754943.6	36521969.49	92143623.2	42393515.19	69297442.31	181015974.2	27967643.67	151288026.6	56013171.26	136223808.5	58015450.25
Norethindrone		6500326.47	4688963.79	1130135.18	700628.03	2421564.47	1149913.5	981105.4	12280225.63	689162.25	2249366.78	852592.58	1159387.26	7636242.47	9251347.16	16465642.67	1827537.92	7969415.78	9787570.92
Reboxetine		167628398.4	183957337.9	97139183.34	41280081.86	127805350.9	31968572.71	143864302.9	225465947	68534867.96	131641860.4	138802615.2	91464609.11	299543617.3	110999033.1	433672298.6	95158308.87	168469785.6	145753974.5
2-(14,15-Epoxyeicosatrienoyl) Glycerol		9570774.51	17964372.53	12870167.22	3210100.94	6700289.37	4275440.62	14864214.52	17450501.21	12780500.66	10954465.73	11339974.37	7451930.04	14488849.36	10667097.66	19239333.84	9060469.14	13695856.6	10626134.58
Metformin		39735696.83	37134689.04	33928151.61	35235417.12	53052999.81	36198988.09	37013358.94	46580555.54	32713796.91	31210651.93	32120362.77	40237724.91	48887687.81	38802877.75	38984314.24	42019823.3	47844057.14	54992242.48
Dihomo-gamma-linolenoylethanolamide		3946995.69	2223395.63	1438068.29	5245506.79	4822079.38	8746605.78	1241442.57	3076999.5	1316234.23	6353557.35	2857838.8	5316930.92	1137914.77	957473.03	1444268.06	3214080.19	4761601.36	5034172.85
9-Decenal		2113172.06	1018095.79	387524.6	71323651.02	211821693.4	30231423.28	1619284.22	1665917.92	626785.66	82858410.92	40679989.53	48552871.13	3653433.12	1859200.53	1239066.25	120919706.6	74342522.43	1393752.9
Praziquantel		1000870.57	2855328.18	247004.67	3014915.21	3631269.05	1846997.33	2233105.08	4142842.67	207768.15	6051741.21	3347971.34	2579845.32	6303448.22	3630811.64	4513168.07	5430151.66	11144050.46	5416620.96
Glycerophospho-N-Palmitoyl Ethanolamine		11302533.99	11900386.16	2157037.01	3360566.32	8852993.64	1837112.33	11087054.9	19590906.05	711617.83	4024419.01	6766628.61	1303065.56	12359799.59	22778655.54	18635337.9	632648.95	5663174.99	6553692.44
17beta-Estradiol 3-(beta-D-glucuronide)		6835428.22	7888855.01	9613165.7	9838791.97	11569323.38	9271445.87	10115592.64	9943202.02	5402514.74	8950583.49	9298887.83	8649722.68	5337603.66	7096182.75	8177076.81	8305761.68	8732257.49	7511154.45
Butopyronoxyl		47824832.68	43313995.93	45132231.33	45982313.65	46495752.7	43001509.39	46418061.54	60211183.97	45905412.67	45812651.76	45913864.1	40816514.51	55928747.62	49796838.03	52060133.75	48277090.85	60576689.76	57559825.02
Mephentermine		107886623.3	114571302.8	108753648.5	130196198	72615200.67	806761204.1	166635048.7	188863073	124041326.6	133885967.7	98157468.48	885320605.5	120530527.3	332186132.2	120264062.3	177537455.1	156481880.2	722280090.7
Mexiletine		81613027.49	49570870.48	124397643.1	81161591.99	75382772.91	43103900.6	68351120.65	123076826.4	60810083.49	66315055.48	75267443.48	115848371.8	95677532.5	77851799.62	78965397	57290388.25	112016919.1	150409143.9
Papaverine		9912438.32	7646992.4	4354271.17	7869371.49	10309960.53	1659890.33	6900921.13	18177150.45	5169389.31	10187740.71	9240950.07	9720787.78	17752540.4	20859072.18	17737993.41	10501181.51	24064469.6	13949748.19
Melamine		9458641.54	10989836.44	7213214.01	6592424.11	7340616.17	1496168.74	8098204.09	12911461.83	6722555.05	8749180.1	9121609.22	13703869.64	43096645.77	33678520.37	29416369.79	8697303.19	11925526.88	19859982.01
1,2-Dilinoleoyl-SN-glycero-3-phosphocholine		10386293.94	17860986.12	10521545.94	10351886.88	8327584.04	8285761.52	5609423.21	9560211.76	3273424.67	870216.1	2163556.3	3851877.67	4723874.4	2914641	4679285.06	38675578.14	11219367.1	14374939.26
Ethoxzolamide		287500408.8	248489251.9	320266784.9	254508643.2	213704723.8	349668685.8	292895159	242771723.2	303405050.1	502289691	266590815.6	267536780.3	270852955.7	256454493.7	249246653.3	259478521.7	225392531.7	236327560.3
2(5H)-Furanone		6273514.73	304841130	19934780.02	778606110.3	232979930.8	1024432331	217828661.6	254591692.7	13213278.08	240393619.9	133934731.3	244683442	956178038.4	179771370.2	268190006.2	255205078.8	196468356.4	180088713.2
Dihydroberberine		8851412.12	6937193.46	919399.72	2336199.24	11039438.51	7649325.88	2762942.29	78703095.97	6858301.32	11200462.92	8308812.15	6486461.84	14520261.15	19385626.06	21732458.89	6782448.39	29741916.19	16656250.65
xi-5-Dodecanolide		98454288.07	58473635.24	29267432.23	188906849.1	284428648	84471271.65	71657868.73	38038120.68	25856614.61	196214696.8	191668530.9	150342122.6	124998799.2	33376459.68	66434668.46	213149614.9	232582066.9	3019769.9
Laudanosine		1596402.38	1750646.19	1455438.56	2513142.06	3200278.95	1809918.28	305207.79	182207.5	1347260.26	5108699.16	3970526.86	3667446.54	2128180.43	2692613.23	1535746.45	4253851.55	863764	4252098.84
3-Amino-2-oxazolidone		8312178.44	4212193.66	10173994.4	11133959.06	5985904.24	11608295.98	10694891.88	8375745.96	10291959.67	8356851.49	9854311.77	8554488.72	11177894.95	6220953.13	55542170.38	10379325.91	13702630.94	7238194.1
Glutaminylalanine		170394240.5	227927916.5	130630085.1	300630714.3	614493086.2	125212508.5	132280919.9	397988437.1	112256011.8	382564864.7	330808715.9	339184255	237872455.2	299268910.6	277661649.7	372533608.5	534135900.2	256345820.2
Haloperidol		327792.75	4732969.22	194049.22	9475248.2	29636574.18	1708202.76	6651422.34	9694075.38	2546162.56	11433841.64	13155223.18	11965740.5	635187.03	131601.23	5362201.78	7810916.16	13705575.52	13740354.21
Benzidine		1095379482	1188287765	1112056220	1178459088	2276531724	1161421664	1170745410	2567904658	684014032.5	761967256.3	523777341.2	1021613664	544765804.2	555333220.1	635974417.6	541174890.8	489687751.2	2660224635
Solasodine		4276004.06	5955312.49	2733706.65	2396773.83	6667070.24	1612446.47	4552665.5	6263459.68	2836012.26	2535090.8	4653535.65	3662522.93	7976495.92	3966847.94	9329284.97	5912973.09	5504251.5	5110790.95
Hydrocodone		9193992.33	8527129.98	4564107.23	4524697.6	13259808.67	1012998.38	5525723.3	11713545.14	4384501.88	9861825.87	8301835.38	5137503.04	15797099.28	6893022.74	19913289.58	6236730.47	13032439.73	10310335.96
Myosmine		77875381.28	70499062.35	79720252.25	78539088.18	73362469.62	84090330.08	71672427.13	61899587.51	84620074.71	75209991.84	67874256.92	79224032.02	68631225.06	56045999.18	67404589.23	67489643	60861233.87	81419153.59
Acetohexamide		862199.75	1806400.89	215648.56	3407865.14	7431721.47	1065129	482495.6	2607204.67	339731.98	5997353.75	5005546.06	3207178.86	10420074.51	18442986.49	15663435.79	3832068.13	9505440.78	8974609.53
Isocarbamid		37001775.06	40514845.98	37650602.41	61881954.89	76554433.42	334328627.2	56096940.65	340411275.9	44971794.17	50117872.26	42880808.94	33472037.74	331473652.2	306263376.7	41784808.71	70415554.42	48758120.44	116732749.8
2-Hydroxypyridine		43421436.83	83957415.34	56592794.97	76882123.57	63475910.47	9369421.45	80357494.41	62680059.43	48565844.23	86728079.15	58751873.6	106077511.1	55362329.42	57047724.54	63484271.13	55241925.91	50534734.12	61660390.21
5alpha-Androstane-3alpha,17beta-diol		832130557.9	167096373.8	168980282.8	188749563.4	782171176.6	194368405.2	200114012.9	177674542	189806925.7	201237887.9	217400112.1	194090101.4	178695426.5	172598813.5	161479118.2	193891246.2	166549851.2	181548842.9
Nivalenol		8646146.69	11464735.07	5306641.86	3388224.43	12008808.4	2515583.79	5846564.48	12352085.26	5455261.63	6136664.08	2393527.87	3324864.78	104580320.3	65142257.7	147234966.1	4385381.3	10130678.6	2222821.74
Acetylcholine		193359563.5	138163473.7	106284215.6	113567524.1	135720850.2	93207205.23	133664059.9	126592776	96263330.85	149041190.7	177398578.6	157124633	146666278.9	264264188	200912432.9	185839950.1	131438851	119046489.8
Metoprolol		108793235.9	100326720.8	110013730.7	86323407.45	103132127.2	81712593.39	151503268	116655187.5	108415038.1	86556320.92	89652807.61	76820051.94	90992838.5	63044515.12	77271872.42	72377944.23	74092627.88	64111861.04
Pentostatin		16427554.09	13381552.6	23581094.52	17228717.71	22632069.7	11141781.51	13087878.02	27408990.27	13327480.17	17254492.37	11442845.13	12719553.36	13539246.84	24467725.2	10394345.44	16039696.05	41426009.21	14991805.97
Capsidiol		31464461.93	21076520.37	44320125.91	10485619.6	16312816.4	11503201.43	18574270.17	22130203.29	36243333.38	8430433.59	16131255.17	48323408.62	29705799.3	54611869.15	10490894.03	13646385.74	10773396.18	22183950.2
Chymostatin		922076.72	4059215.86	113447.88	919534.52	1562051.76	1177562.19	450730.6	462660.61	349980.02	5229417.66	4857811.5	4418437.35	439483.72	195519.75	803587.42	4824888.26	5452538.69	2739904.17
1-O-Hexadecyl-2-O-ethyl-SN-glycero-3-phosphorylcholine		3123248.47	1218796.65	390209.63	732968.61	590007.39	183611.23	1351560.69	838409.76	411344.99	625660.59	447194.48	195846.53	3180142.93	228540.15	2612417.04	651975.61	650893.77	557225.78
C22 Sphingomyelin		8599857.27	8939212.47	11493498.72	12256325.92	10801970.47	13417271.79	11419580.74	88481122.84	16125701.84	10499588.94	12692328.9	12230300.66	13886190.2	8962258.12	11573427.12	11110657.59	7722631.66	10629619.95
cis-11-Methyl-2-dodecenoic acid		74304628.46	61827132.54	57442580.12	64310333.02	61022975.67	39186739.25	68274720.2	83335001.14	192314132.9	49383762.76	49040451.14	68123740.01	89344040.92	72251159.5	61215121	48603833.02	89079962.85	85131499.5
Pyracarbolid		18499753.29	20871699.73	9675167.88	5926253.3	17062478.08	3429585.76	8232915.2	24430308.43	6403513.23	14770882.99	12862887.17	11322380.72	33533727.19	21460130.29	50731066.03	14442999.01	27582379.45	22806150.33
Dehydropipernonaline		15280915.37	44856877.9	23081877.83	16861008	34850772.08	5879039.66	6959602.35	36336073.58	14987939.84	41586661.18	23144126.67	26873706.75	80150273.6	42570965.49	37761725.95	40932685.51	93474890.91	67293527.83
Dihydro-3-methyl-2(3H)-furanone		72865533.23	20526112.42	21166777.66	21314146.85	22429533.44	24914590.51	19480790.89	20321088.93	86027499.82	24216816.41	22807180.44	56294703.63	71149891.15	21556492.23	28140290.76	26878348.2	90859110.92	15966729.85
Kojic acid		45731674.44	23678988.14	56739190.63	9102472.7	5806226.87	90618428.11	55085949.01	6168980.13	62502056.88	13864781.16	9914506	9761347.27	12277711.35	3661743.82	5088556.99	10119600.93	1825312.17	2967715.18
Tetrahydropalmatine		2189647.88	2667252.97	595267.26	211916.61	4326483.79	473318.61	1070276.67	4589281.58	1154538.59	2571355.86	2360015.7	3135446	8922705.71	6716621.05	7630954.5	3653971.44	10929581.66	8177718.54
Ergocornine		4474145.87	8667613.05	635959.53	2182541.14	1587499.17	5616877.88	772258.37	673304.67	620029.78	10063578.93	9284338.91	8230833.39	1188438.61	2884172.4	275843.09	6759775.39	6907579.5	2797135.62
Pentamidine		5494518.31	12657827.66	4150071.58	2504078.15	7367152.86	1095288.66	2258861.07	10136004.31	1302702.44	15607549.07	4991236.56	4878527.59	9970912.75	11340470.06	25226389.88	14680802.6	27211083.85	15316794.91
1,2-Ethylenediphosphonic acid		21024833.84	30149949.61	47790156.2	16189246.87	13741908.77	16309132.31	56724900.86	13774948.32	16287003.45	17978859.23	28559775.63	20423190.72	11664290.72	9971161.36	14819410.95	10434164.45	20297016.81	12481403.11
Terbinafine		130459926.4	133245201	88434891.96	145176984.4	120610200.9	37645327.88	81967140.52	152455570.6	74483285.49	77672592.39	73045425.95	134829228	139668026.8	106715522.1	123305036.6	67073817.42	147507065	151590055.8
Angiotensin I/II (5-8)		3948356.45	10085227.16	705869.1	2234376.89	3041881.32	2304505.65	979119.61	1078930.55	1099303.14	10758634.36	10902542.8	7156591.91	723654.04	2167711.01	8431577.44	8375548.85	11426897.09	9162196.92
Betamipron		27050483.97	16838171.2	12435938.29	9507471.48	18525775.74	3559615.04	17642484.51	28155179.33	13490204.3	24706892.04	8903406.81	7164106.76	38327972.95	16150865.76	23479634.47	13505618.48	16585146.32	8698544.44
Ethylmorphine		37936985.66	42686803.87	21252005.9	10434095.48	27355212.5	7869894.69	33791649.6	45102860.21	17303112.55	29399564.32	30516031.71	21106115.55	62002865.56	21600617.51	90471096.93	24278377	36196477.15	32196587.06
Sarsasapogenin		838081	3020766.32	3101445.58	5215290.23	5085920.07	2567866.74	1014222.36	1368345.81	2809823.01	980678.87	1959982.36	157383.91	7175830.27	7480683.54	4555023	6140447.08	6562728.73	3090502.03
Cyclopamine		132969211.1	70674254.46	35305136.75	48872981.51	101651676.3	25649782.85	93479202.84	40944022.15	30096600.7	60185848.91	57130831.13	56986842.66	152515122.7	33236862.89	83724380.89	73640337.34	83225355.53	119797291.2
Cycloheximide		86947714.9	96046396.73	42730639.23	39533179.36	111373175.7	16873646.37	30878893.33	198485426.7	23299634.62	93478671.65	73413340.54	67154749.11	191338865	194979272.9	249613049.5	90975396.52	184974057.4	193293458.7
2-Octenoic acid, ethyl ester		47723008.92	29860381.23	16974086.31	130796672.5	178272995.2	51646594.75	34070365.36	19390707.26	14814744.21	131052636.6	129401296.6	95422620.41	65782857.87	19096856.13	35415274.47	131512261.5	146713385.4	6602065.53
3',4'-Dihydroxyacetophenone		17283954.57	24544999.44	12730922.14	14208897.24	62485787.31	2843722.08	11201602.27	71155961.05	11583850.91	31494048.41	20488291.93	21078588.6	85753442.2	93815152.75	122265789.1	24037266.68	58497171.21	48367229.21
Benthiavalicarb-isopropyl		1335986.65	321184.46	1643673.2	1089606.99	4200105.77	4988361.7	1488498.35	1385649.27	1947777.27	3663298.16	1874685.54	2116718.04	7081957.44	9619897.18	9151872.19	1450333.82	2959375.45	5256767.5
2-benzyl-4-(octahydro-1H-isoindol-2-yl)-4-oxobutanoic acid		2187944.84	383143	482686.5	4187899.79	7667200.22	2348116.88	396741.44	2430582.98	895805.69	5260347.57	3642063.79	2601620.67	677820.56	1128879.28	263976.54	2876001.6	6496605.44	3274020.4
Anethole		59901228.92	53876314.92	34538625.88	38396740.71	52268261.75	14387899.81	39984818.8	70309769.22	28658133.53	24194554.2	24643229.09	55744357.33	62629582.59	59485117.8	47791558.31	24915361.83	63619957.01	120798692.3
Betaine aldehyde		13176963.54	102232590.7	7507740.92	18110995.86	66675974.11	7998105.2	8012478.26	43811921.89	7238732.28	49878048.73	222032209.2	166408231.1	19478938.75	19132882.93	20156149.96	195100232.7	107418594.9	44344915
2-Hydroxyquinoline		38896042.46	34590272.01	22522568.1	20133882.18	39285281.9	23829558.95	19374736.41	57947410.27	17761700.95	19001626.64	14771892.68	15233472.57	26333759.28	41866466.83	39237148.76	40859710.69	21098875.53	36037606.22
Glucovanillin		21735014.32	20675529.72	12979124.26	24692565.1	47983465.61	21007543.98	19474888.68	34372139.33	14325122.46	47428896.76	41444939.74	41716906.81	32473434.65	38984086.65	44231709.11	46505668.22	42223113.61	35561342.4
3',4'-Dimethoxyacetophenone		11473165.01	8254617.97	5463078.83	5105505.13	4078408.61	6113979.81	5270519.18	5245480.67	4476810.68	5169118.43	6421941.53	6844071.77	5068931.38	4191302.71	10488829.58	3996293.2	5544394.56	4729511.15
1-O-Hexadecyl-sn-glycero-3-phosphocholine		43737822.05	50501983.92	19216320.11	14739372.07	34786632.29	11102334.38	29630614.14	55449541.46	29397763.64	35289592.2	39922046.69	43856137.72	25295790.59	71031048.38	44989668.4	26915308.29	29514103.16	68470132.99
Furazolidone		68090530.42	60335638.44	60956080.58	81264545.23	61467424.17	45500933.78	59424000.22	60556864.23	51291029.09	55618758.13	53638656.09	61854434.25	67902953.96	59732597	60680383.89	48256457.53	59873382.68	63441247.68
Methylthiouracil		13339893	14119407.69	15847820.27	12930578.52	23784580.48	16263126.93	15314807.64	14697785.81	17951022.13	18023122.89	15575516.89	17125234.55	13938202.64	13843159.68	15800286.6	13939813.89	11969556.18	12445686
Dimethyl succinate		26865111.36	10757494.29	17825022.66	15632061.12	32330537.99	29772826.23	32160350.4	25869922.87	22449325.78	28391676.64	19982461.61	16937404.48	13021356.85	19241664.5	14889074.35	10155283.97	30168621.65	6808513.76
Gnoscopine		2543711.87	2450246.36	1062363.65	629008.63	3466985.81	1016904.41	1753302.57	4550019.23	806939.38	4863211.6	3589284.91	3898116.7	8295823.77	6418535.58	9833024.97	5183544.84	7091985.49	6799122.49
Forchlorfenuron		83859830.86	80372521.37	78284615.88	101837604.3	76814212.33	59470877.36	78819770.07	76227734.4	67499381	70786763.65	63335055.66	81082547.98	82207066.69	75089252.66	75616712.52	63507929.58	75152631.36	80600725.27
Vitamin K		6748329.24	3387598.19	242957.67	9834870.29	9202601.74	3648005.56	3125814.07	1661623.31	999067.83	5961564.58	4581868.62	6373530.4	4721482.98	1066989.37	1935960.9	5867680.17	7163869.06	5930407.45
Meropenem		52275609.4	48268862.36	45326223.77	43024642.37	73276855.73	39648011.08	44285868.3	67142527.28	50548671.74	60659953.46	69589985.04	60835520.91	72500216	90224273.27	79066267.04	72090474.11	58797048.94	55673781.5
Dihydro-5-propyl-2(3H)-furanone		44659296.67	45880547.76	45841166.53	16236088.37	20921412.39	10579404.56	33247594.49	45130958.65	30995480.02	15735657.91	17579661.45	18362552.02	46757010	53902669.08	52507164.09	13813274.63	8335383.13	20811602.68
Pristanic acid		13990877.29	2352541.14	29034981.12	10630330.29	6089878.3	683314.02	7262750.63	21547416.52	5628628.6	5227368.24	9993280.3	10993952.06	1543248.12	61264696.26	11301976.61	20698166.45	19689401.76	7237247.24
Ethephon		11867818.33	16680662.51	15860584.88	14147261.24	13890487.38	15644476.8	15049919.91	14410358.62	11251894.56	8627485	12709880.13	11076907.86	24063869.18	27842723.88	5834220.06	11703422.46	10992836.47	16301475.04
(8)-Gingerol		1821425.71	4510949.9	1281124.49	5491685.75	20773699.57	291664.16	1018626.71	51751504.75	1282111.02	8809244.33	5854727.24	4702007.47	2969369.68	11009526.91	9921912.77	8156952.11	31052748.9	40332589.52
p-Hydroxybenzalacetone		13395288.53	12187288.7	10313040.94	10909144.99	12480724.85	10331151.09	19756881.91	27181493.59	18136385.88	16523853.56	11825630.68	18455426.64	11809999.69	12570857.41	21108159.06	9196188.46	38292571.68	21712726.45
Imiquimod		7200561.59	12778836.5	7580219.75	10996385.13	14667586.47	2188282.68	10779346.04	17437779	767835.7	10843382.24	9847458.99	11030921.96	8131854.74	8952822.34	11944672.42	8276933.72	15370789.3	19453518.49
Scopoletin		58919616.26	53377327.29	51256395.96	68998837.02	74648912.59	64711620.65	73815347.08	76121643.94	50674102.23	67461730.73	80587738.17	97953309.52	68401088.29	66651702.15	61006624.94	79882934.82	94603890.59	92431189.34
Altretamine		6981583.02	43422025.29	16717044.95	14968883.96	12555115.46	8709302.43	11074379.04	14749970.74	18852022.38	54562499.83	7545740.54	13948767.88	10301141.83	11642686.58	9567864.65	20379567.58	12683501.04	13406083.93
Convolamine		14926553.76	6870783.92	5533935.27	5602860.17	14100761.74	6156269	9284049.22	8239058.22	4582177.04	8850772.85	9587502.08	16570926.61	12257984.93	9888574.5	6409526.29	4374791.14	13327309.1	6610595.88
Isobavachalcone		851717.21	1215820.2	856876.67	5342212.51	5754182.7	147088.11	1089110.66	1688752.67	1076827.39	6188141.84	6499150.66	5477369.44	2539421.66	1529722.72	2666512.35	6195020.83	8656683.85	11778555.71
Alfentanil		23857310.41	21360451.47	11305972.79	95171933.44	133236509.2	49961086.97	17781284.83	14595801.38	9055450.25	7113236.45	75445023.19	78350713.08	23915413.33	4250094.74	15238071.43	89726867.49	103377483.9	28007505.35
TG(8:0/8:0/8:0)		46579.54	32739.43	154662.28	30230.29	42878.42	37444.9	20150.91	427576.61	35455.17	50981.23	183288.1	189451.41	234404.63	831796.65	106805.16	262237.82	319252.29	509563.86
Nizatidine		2645526.11	3324177.38	1692918.09	1305788.01	3488135.66	283212.59	1428422.77	7641380.19	3339887.9	2043475.13	1918784.68	1279104.49	26879910.92	32745052.88	37137553.1	1896395.4	4110630.08	5620941.38
Pectolinarigenin		25190949.99	21257910.27	17797419.64	29135882.2	26177298.46	10329247.26	16865944.08	16421514.69	16171295.15	28954388.09	21721172.61	27925160.09	31669247.75	15345695.69	22399939.92	20623915.13	23177227.83	26499405.96
Bisdemethoxycurcumin		69805169.62	40473565.88	36594900.06	26402375.4	26925563.76	57135827.47	62099744.02	67967941.74	49174560.85	32809560.36	47014809.8	52707745.64	38559157.36	44282695.43	42005756.75	20348940.96	101622086.9	39841213.85
Isofraxidin		1343218410	1224857036	1258035564	1673227937	1258750948	968117229.2	1222280286	1231578611	1120441990	1154366143	1088547693	1341829063	1422246745	1218342885	1308046405	1046014347	1245665390	1342741300
1,3-Benzenediol		52236044.82	51227038.73	46985026.39	41910294.75	121973594.5	46203781.6	39940212.94	198210556.4	27159819.98	41270911.32	45090648.91	35121755.15	56495418.74	51010214.45	44934631.97	55591979.62	62352858.02	1892362.2
(R)-ar-Turmerone		37463562.95	7652802.87	8085808.84	9393913.26	15343236.37	4006880.71	27726286.95	11819689.71	6180634.45	5647849.31	8577405.33	32269998.64	10082818.04	35581952.03	34509904.22	6263793.35	45020877.24	14532455.54
Dehydrocostus lactone		4786432.74	4250444.37	741661.25	110370784.6	120341756.4	119316200.9	1965211.88	565248.88	3320934.88	88407175.91	81552105.01	88209358.47	2567085.35	419790.49	986836.01	97131087.82	149947088.6	8995358.47
2,8-Quinolinediol		10275032.69	16158283.38	20794750.51	7691039.07	15216564.62	11620277.14	5726245.21	19582223.94	18411554.14	20087307.55	13676113.25	13771274.58	48314239.36	60076114.87	65575645.16	16418127.77	25480371.94	19333980.58
Piperonyl sulfoxide		754487.42	1408137.38	3216764.95	1383209.54	7939588.3	131913.49	5082083.78	22825151.71	3577677.94	3528646.59	2586563.33	2067183.02	953416.21	5540423.04	5146324.53	3141781.49	14941175.95	18258037.59
alpha-Dimorphecolic acid		81550081.15	80187310.66	33907393.84	74440290.65	104151872.4	30548164.28	60191325.2	51003490.29	15387964.1	87134513.79	74977928.39	60157489.65	136347932.1	8637460.23	52847833.97	73597764.3	80468994.22	41247229.19
Naphazoline		127745453.7	181686450.1	171514349.6	137749913.5	228637518.4	42752321.95	62234247.45	133370264.7	75783747.14	85018371.85	47181141.14	102001821.9	343274515.6	149106947.6	129044203.2	143826560.2	109419710.1	156637502.4
2-Deoxy-2,3-dehydro-n-acetyl-neuraminic acid		1657123.57	771225.65	1415832.34	1717873.5	4516929.9	700470.65	791889.65	2054001.47	261664.39	1105464.28	1380967.99	1344729.24	2388810.76	5200811.14	728024.87	4085409.81	5066401.34	2778841.68
alpha-Ergocryptine		10109618.91	14501837.3	7327041.02	3328662.75	564400.18	5501826.63	5951699.4	36382400.49	13932811.32	17609598.47	19077103.59	17011926.93	9299108.16	12223717.55	26803071.63	9270812.66	6836385.13	4934148.48
Trazodone		8755415.64	10108794.53	5845374.72	3850983.96	7178946.21	1899193	5022523.56	13075318.42	6840541.09	5278796.08	5178765.88	4372479.02	55068931.04	64004618	73239954.53	6682072.15	9066896.89	7946638.59
Astemizole		6136663.16	7279242.29	4894811.39	843020.31	5049285.02	468959.67	3884058.37	13126055.54	4132990.72	2639086.13	3620527.37	3092648.51	9075791.1	11170827.18	12682486.37	3760421.12	3570530.85	3657121.72
[(2R,3R,4S,5S,6R)-2-[(1R,2Z,3S,4R,5S)-2-(cyanomethylidene)-3-hydroxy-4,5-dimethoxycyclohexyl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl] (Z)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate		4021838.22	1834332.16	404686.31	1689619.19	11137149	514840.74	1206245.32	1346757.22	443943.99	680072.77	1325606.65	1861645.54	2260351.99	1982377.05	1817733.09	2378903.9	2509147.96	1788079.21
Clozapine		160530075.7	156971602.9	117605796.4	61697707.58	117220749.6	29049837.5	80580395.82	249707583.9	127210163.4	84239187.63	69112196.17	55340860.8	1383600760	1627502326	1662589636	74196391.18	134024887.5	158744831.6
Tamoxifen		49097799.79	29224352.22	24954926.72	54085540.93	183621255.4	8942459.36	18384790.22	36159927.2	18598244.28	70991953.43	78441007.67	11957509.89	43522267.42	26884444.92	40403083.1	41975435.86	22758553.21	15199701.36
Trileucine		14273235.75	2842908.98	2062589.43	26353953.11	27120620.63	66737610.13	51394259.17	5870358.48	8070181.77	12925962.2	43290233.2	43703758.68	79523723.89	10409331.72	17484898.28	6279484.63	139791512.8	23207114.03
2-(Octylthio)ethanol		31613823.38	40485315.75	25010203	1357862.7	4127066.63	7629029.35	30673648.83	72055999.17	27109589.45	2097896.76	2745978.35	1458326.76	63736054.6	75123252.25	93904784.21	3429320.05	1954050.68	4846356.6
Calcipotriol		23524343.01	11703304.77	6005007.64	3586646.06	13791272.8	1929494.91	16052412.24	1898035.84	4674226.36	9019127.52	7905729.09	6523371.3	25858801.65	5592417.11	11763868.34	9474778.88	12669739.2	2409791.82
Oxoamide		505665416.6	518255249.2	605664126.5	497588405.7	475481069.9	617458125.4	551346619.7	455542166.6	573193710.8	458587869.1	473574365.5	454400212.7	538000880.5	463224999.8	464416652.3	468289776.6	396071589.1	443223436.7
Ciclesonide		4220806.69	2552791.11	707686.29	7020850.75	10119232.1	3823614.38	2436100.59	1018691.61	740428.61	6031118.33	5069455.89	5600694.35	2779013.54	496360.88	1669627.43	6142673.56	8259439.69	27546839.88
Bepridil		482415.91	668702.35	537807.9	4456459.32	8134833.27	2569484.11	150080.93	582000.79	834898.21	8055937.38	6500267.88	3515604.67	1095531.71	198242.2	355776.21	6276000.43	7204933.28	6510572.9
Deltaline		2784533.97	6470917.18	1058523.97	2607650.14	4082202.67	5627641.83	5416227.38	2667874.7	1284033.99	12672869.99	17499931.57	12282977.76	635184.75	3720213.05	1007608.11	11741124.64	7584134.96	3194215.92
(+)-Penbutolol		1854246770	1842669911	1916424243	1921573809	1810223103	1944735053	1859892129	1788924035	1881439895	2036426451	1862313483	1930048333	1860690278	1872270163	1843636900	1871834378	1840870973	1889373365
Quinoline		24886583.38	20351051.66	19910021.76	23356134.06	25196942.06	16104524.89	20678353.78	16740497.71	18533452.35	78598563.22	19005936.74	146237062.9	19148436.31	19054469.86	13964126.42	28280376.41	78239208.82	12742783.67
Nandrolone decanoate		3457034.18	1859503.91	303487.96	36400271.11	39027827.55	19700381.69	4078500.58	4048391.23	3067857.85	38611391.65	27978534.59	33749354.29	8085071.88	164134.12	1429310.18	29082724.49	39931839.28	22514127.27
Isoniazid		43761845.66	49158526.27	29032073.53	24261313.24	49546473.7	17942236.97	27447421.29	45870064.66	28583967.76	43748337.8	41134840.83	31413547.27	97503752.47	90765467.07	116897519.9	3991505.7	48938610.65	41525368.63
Trimethoprim		1037028.96	1042509.57	77941.27	140934.16	944133.31	710506.76	61330.75	3893598.66	52981.27	1893937.72	310633.85	496549.79	1801049.76	2344088.27	7766649.33	792104.37	2350235.15	5637917.11
Neopine		1435590.43	2729149.3	3597893.37	13425120.41	30244510.98	3945661.16	599431.82	34449894.56	5012597.26	14704813.77	13552388.31	10882412.03	1406319.08	11260725.42	15853534.61	15279552.94	43976674.15	30806320.62
2,4-Diaminobutyric acid		370042150.9	350355172.9	419375035.4	570835452.5	472841331	2062469.41	376630748.5	272474083.7	334364899.8	628999023.3	227235633.6	333094018.2	383872452.8	328442298.7	380007638.6	166791284.7	539194757.6	219731732.6
Isopropalin		742531.94	188795.75	377790.64	1294434.84	1514334.5	838946.62	1019094.56	967913.49	632093.04	1831133.31	2266266.58	1132713.04	824460.03	1520309.82	1374950.22	1550956.32	2238142.71	4391143.96
Fumitremorgin C		8115.16	8115.16	8114.96	8115.16	8115.16	8115.12	66040.22	280859.22	8115.12	8115.16	8115.16	40575.82	498762.85	164219.94	196090.45	8115.16	8115.16	8115.09
Diethylpropion		89643598.92	79091628.67	87764852	94922488.09	85845974.17	98202189.71	92160479	93858860.23	118483090.6	101555760.3	85200864.3	104470982.8	106484643.4	79361044.13	80660820.72	113013787.8	86416530.32	89172844.38
Valsartan		106140099.1	130425229.8	69989394.31	32597025.63	83162373.29	17621095.48	87786232.99	178115607.1	73168491.64	49466506.06	51150922.62	48013316	190612060	190591775.4	234569887.9	46902405.95	68316963.63	86006963.8
Daidzin		1292953.78	2193483.62	1259700.61	1197608.28	6135583.52	1171605.23	1113204.75	1810154.74	1246085.55	4489231.16	5670308.63	5407993.33	4042474.06	3560434.67	3093107.03	3570051.7	3892500.98	6678579.21
Tetradecanal		240305291.4	305063640.4	259259182.1	96442787.72	289222643.6	244590771.4	298288245.1	351076108.8	289249577.7	336870492.7	267871534.3	324590483.6	398912354.6	448601454	518830140.2	204239027.7	363267638.7	352308947.5
PC(O-16:0/20:5(5Z,8Z,11Z,14Z,17Z))		54978315.8	26236083.6	10347241.91	75302427.3	99102845.51	20986435.44	13423984.8	9844058.48	6729852.23	69157546.29	62230717.92	42229867.68	16164295.22	4384400.14	14267647.78	45462902.14	31344603.52	20820325.22
L-Argininosuccinic acid		663706.97	995540.01	175757.52	313496.92	718775.27	81866.66	396842.98	406451.33	656665.23	982293.83	639292.05	428737.73	8008210.34	7099346.3	9156487.52	453309.69	1140014.34	1221676.79
Methylergonovine		4278351	4430363.72	631866.05	4007340.32	777488.78	2675773.07	1870968.5	1365044.4	862522.89	20932624.65	27654902.08	18813849.35	3529141.62	5708839.48	3285113.38	18189571.82	3929749.14	2343954.59
1-hexadecanoyl-2-(9Z,12Z-octadecadienoyl)-sn-glycero-3-phosphoethanolamine		49153241.79	12219470.35	8529054.61	13388643.49	22247468.34	25953350.42	1598252.01	8907812.88	9413072.09	10362579.26	25221109.15	26891655.79	30453781.26	8344408.68	18467956.68	20402993.88	37011007.67	37550875.48
1,2-Dimyristoyl-sn-glycero-3-phosphocholine		171323149.3	134595373.6	70578161.19	20986645.33	19966573.61	17145473.33	111581125.9	65136877.11	60473686.15	29148991.18	26231452.39	15092326.31	134702468.1	52325499.5	114036499.9	25355625.58	30973150.62	11764829.12
Sotalol		241234716.6	236427778.8	80849278.54	50542638.15	56270788.28	111384881.1	229869016.6	12687814.53	85541173.1	292290936.2	342808691.1	268683241.2	91242747.74	2694315.35	21126801.06	225096122.8	85433497.4	49977070.01
2-trans,6-trans-Farnesal		4192053.27	4947986.26	3755845.35	3097222.52	471299.95	4590592.66	14730339.99	2901342.96	2903100.36	1162605.08	2423309.49	2644250.57	282993.73	1284905.57	242128.69	1849267.35	2621985.45	2772863.24
Luffariellolide		62189145.45	35826986.66	15112078.89	58116253.17	98728516.78	23529921.46	50328494.36	13452175.61	18384627.88	64831885.02	57157784.08	52179703.15	74747858.49	12444098.31	42461673.87	72710571.89	75439439.15	16333760.56
Nortriptyline		8199919.27	11709678.03	12850838.89	7191561.97	9544945.16	2042716.04	3033274.39	4659309.77	3436073.14	4617669.29	2281858.65	2974373.08	27159307.96	8337041.01	8967440.19	2663513.15	5744380.55	9769332.63
9-Hexadecenoic acid		17789770	21204979.71	38750312.83	7078171.15	22650903.36	31923355.24	25771830.91	63724405.45	46542516.39	18878678.42	36374353.68	39963469.13	45283823.57	52546355.44	55589896	36164072.09	37173811.56	44745069.39
Alantolactone		5309963.98	4967340.42	5764677.5	3788938.01	5945050.86	5784105.35	10122743.81	6783988.64	8392719.13	4382740.82	5235269.21	6624450.75	5187624.89	4127504.14	8135137.45	8249468.68	4847572.35	3785387.21
Epigallocatechin gallate		14956197.92	9835194.5	4987417.68	8963796.72	14576014.17	3536074.55	1565235.45	14111556.28	1864227.79	12710244.9	9933216.77	12965267.72	30027021.46	14425926.59	16432777.49	7233545.42	8603371.47	25129212.64
Ketotifen		8939663.84	9462855.26	7858586.65	3940816.98	8085224.03	4800940.08	4423204.3	38669749.25	25020860.09	13602995.2	12032226.51	3340887.32	88895464.1	249847829.1	241617028.3	14423942.41	8197899.47	5051290.61
Apocarotenal		685351.45	329254.59	267391.9	534911.36	637402.7	38981.5	200370.69	459892.88	44110.62	289518.2	362438.2	344929.26	125280.41	73153	248780.37	348811.37	631240.46	3366451.09
Carvyl acetate		13721255.64	14970668.39	10205102.56	12758818.43	13546350.58	12951241.88	46597139.11	70680599.78	29030545.4	15140004.81	15104068.4	16079947.64	18435237.94	16015538.71	18819589.44	16703510.92	13074677.75	16247689.39
3-Methylbenzyl alcohol		18556039.25	20815699.24	20582437.09	10013234.95	10679379.64	7703764.18	22325821.52	27118536.14	19617023.54	10707881.42	10950527.62	9532577.65	240857606.8	62260108.49	43757638.38	8680861.18	7899463.59	5925154.3
Conessine		58585031.9	54016160.74	55104995.56	52207955.69	49669851.87	50156568.79	55453706.6	49586083.65	57923242.95	36124754.12	27807567.08	31380541.89	53492172.69	33517793.07	47910945.11	48608250.99	49735204.63	53713436.99
Salmeterol		4403272.78	843291.36	783510.05	23281086.29	43381810.38	12484523.71	755225.51	1610619.1	877204.02	27733609.94	27561560.01	20595643.52	5046177.95	1185516.9	2140038.23	37132397.13	45999163.22	675561.9
N-nitrosodimethylamine		193864594.9	196226063.5	149739835	125899034.3	114830291.7	17174854.67	282057290	188664869.6	157950971.3	121164775.5	132486150.8	114631087.9	3658502.88	96872399.6	87099499.87	132270262.1	8442308.17	143514004.5
Schradan		112844341.6	219401443.2	73366417.09	66575419.48	201620583.6	53732853.04	83225252.98	215193799	112080646.1	115118532.8	99194757.1	39765692.84	1170780337	950168457.4	974599102.8	130359600.6	194480099	81311679.39
Acetoacetic acid		148167316.6	39588957.04	163890028.8	166372777.7	148428794.4	370958160.2	172400770.8	1599978.62	171205219.1	136776035	35452831.95	299367027.1	128376546.3	92079988.23	98160747.25	148830121.1	7780358.26	6330837.84
Telmisartan		4361084.41	3375269.1	1373104.97	10514429.64	25762029.8	3900275.27	4629131.35	3545950.78	342988.82	18352549.68	13572945.98	13867073.84	8739927.05	1873107.65	3414970.39	13331198.36	22902409.51	15719136.65
Capecitabine		3882458.17	3128666.01	1201661.68	4747682.33	3725024.59	5770528.27	4908865.13	5677703.75	2857026.88	2652370.22	4324632.28	6283566.65	5127386.52	1958040.03	918508.52	4901306.41	6645485.61	5935434.02
Ergosterol peroxide		7369410.09	8331545.72	6558059.2	24001578.39	31490903.68	16597521.62	6608619.09	32787123.01	21992237.87	19019710.36	22775652.41	13274064.15	22664156.6	24529079.98	25560922.69	25954369.75	16361083.3	30868983.52
2-Aminobenzoic acid		46328421.03	45057968.53	25214328.38	115315059.4	227366182.6	53952032.16	21491980	67395150.3	28202162.99	191267366.5	155272745.3	129719461.4	244389151.5	327306158.5	357426476.5	168648718.9	304241323.6	287211379.2
Metyrapone		89787908.22	79091885.1	82527835.52	86467267.19	72152184.51	75022434.47	88716179.26	52213980.03	48877465.5	99199464.07	94788045.95	37890724.58	87409429.21	61027508.17	89886805.5	80913473.38	45579899.71	83592804.64
Chlormequat		26813022.53	37002712.23	30450318.04	45374388.6	40964440.6	44432792.38	27496067.78	43189788.27	24982279.05	34105821.58	32533319.92	55264389.15	40329104.2	40412210.06	34951552.42	28836434.59	42222118.95	53515566.92
Butorphanol		13134470.74	12514117.44	444720.19	35291370.1	34345443.22	9277447.24	7278882.31	7173710.88	4988627.82	41212513.85	18528443.53	20162604.45	683895.91	7251853.31	10133607.93	6958519.75	75456951.64	6434651.02
Minocycline		211435.17	923790.27	266447.63	1175834.9	2340474.17	764012.73	1239878.87	2581662.8	716038.9	1669171.66	1904802.55	1753494.22	2955475.94	5216684.33	1209317.12	1715115.73	2554455.17	765770.7
Temozolomide		47716651.02	63656250.83	57258427.15	64286179.84	58687800.39	59821727.36	72418004.15	79746652.72	65636912.74	75285735.25	53629939.84	79149228.8	52307898.71	52303650.26	112399693.2	46923308.3	17195204.79	59419055.26
Cyclohexanol, 4-methyl-3-[(2E)-2-[(1R,3aS,7aR)-octahydro-7a-methyl-1-[(1R,2E,4R)-1,4,5-trimethyl-2-hexen-1-yl]-4H-inden-4-ylidene]ethylidene]-, (1S,3E,4S)-		36900576.07	33733547.44	31641873.22	33521942.19	31225027.07	28988186.1	22162313.73	26795362.8	29041998.44	23309899.62	28395372.12	17455350.75	24119584.76	14385924.37	16910584.86	23258576.22	18803287.2	15724183.08
Doxercalciferol		4491778.17	3998873.56	2403396.79	943099.56	538593.39	1349994.82	1911779.53	4344122.42	2022068.45	485453.62	464580.7	999713.85	1964255.83	2944877.55	1964010.15	410570.61	1629432.86	3233379.74
Quinaprilat		5930780.34	8227058.44	7196388.78	11465202.08	5770210.41	4754657.97	4296183.92	11534362.25	9552461.09	7838538.69	7476446.97	7842272.38	5411363.38	5937847.85	7130121.9	9740471.24	3761769.23	9448295.24
Fenoterol		10797375.65	49549807.49	6374997.71	14248668.31	58081611.96	6079137.07	4691630.62	110944821.2	9554239.94	55360323.69	41974722.84	34153566.55	85761014.46	110283992.9	118283072	47799797.47	105541479.5	92277605.85
Mycophenolate mofetil		1529294.88	937518.1	1656793.52	12526482.95	13160205.83	3052315.38	618960.68	959341.56	1311651.27	9591587.96	4920544.86	9063678.08	1319174.21	342333.23	662774.19	5431261.11	5921123.95	6689851.74
Rufloxacin		1914471.48	4443253.63	1384709.19	404147.23	4849395.72	2638979.48	1639979.42	5060252.88	1105156.3	5569212.83	3199494.99	2836458.39	5752991.26	4433560.35	6596700.14	4651373.77	15061667.18	14278427.43
Cyclopentolate		27555427.79	30184393.57	21289167.3	52854893.6	76728125.6	38071921.48	27620357.23	26437953.46	21637551.96	72954808.18	68395995.35	65586513.19	37385701.29	24889924.44	25644095.16	68205122.84	58898519.98	51185174.79
Ampicillin		9017629.95	31986466.28	7592477.29	8787328.98	18231325.07	18811221.72	6996255.28	15843774.26	6964054.39	6688748.62	11201649.97	7150878.3	10905214.98	14284205.47	17247476.2	12920059.07	13827107.1	16540176.21
Azelaoyl PAF		105276.9	204067.95	1136229.64	939457.28	1069725.01	620128.88	953138.39	39742.54	505516.26	924251.79	633817.24	5534646.73	435139.14	15755979.05	1333638.55	598989.71	1006819.56	80413149.04
Esmolol		156927.44	387996.14	2480293.45	1739788.5	4349739.24	3035797.08	2782079.2	3571983.82	4037152.53	4503521.5	14570325.18	2310669.03	745065.28	2075503.41	1392791.07	923992.33	8435035.35	3843226.33
Paullinic acid		5190767.56	2345919.09	1982787.3	96780874.26	116031924	25138926.97	2611581.86	2526997.07	1888103.92	103968581.6	47616471.93	39818847.45	3420908.34	1499296.82	2634655.7	99569395.82	88224650.43	3461737.33
Ferulic acid		62602197.43	24315334.13	85732480.32	83225012.35	82079080.05	86177904.91	92095615.34	57332359.96	87451743.4	62553948.63	46327622.22	41694437.38	59507945.94	40234019.8	72846294.49	97830628.68	91429482.83	72275116.49
N-Methylputrescine		70564765.32	101561640.5	53887200.38	135963523.3	144384460.8	41814149.73	58376075.26	99795855.14	43242404.65	148593540.8	173780793	89543296.87	86364852.57	243535160.5	167110719.9	114972903.4	72719650.86	108876634.5
Fexofenadine		110517272.3	20699487.95	39418274.69	34257154.04	21217834.66	37652996.29	107399488.5	31989423.46	113026353.2	27103762.51	35574613.63	41800256.77	41151069.13	27787798.25	34035003.03	26798079.44	38068541.01	124621848.6
Clofibrate		15516743.66	15322552.62	10969107.45	17144737.07	33839130.32	12612342.46	13148516.33	26301171.54	12373666.95	26689473.88	26013724.16	24973088.72	23448106.43	29407290.46	31583499.88	29850741.48	27838540.84	22705286.38
(2r)-3-(Hexadecyloxy)-2-methoxypropyl 2-(trimethylammonio)ethyl phosphate		3285498.03	971398.65	454452.11	502069.64	1276136.86	567675.97	2127770.17	4334701.36	1353665.6	2956618.99	3900098.52	1483007.92	1176306.04	355383.83	2045376.57	1890520.12	2061864.95	417896.82
Linalyl acetate		23583318.03	8353164.34	5035513.69	1416599.39	3385017.03	1695431.66	7484621.17	11513359.16	3869578.8	2743984.35	2569964.19	6737583.04	14350503.46	2655405.47	7769090.08	1298477.15	9950280.12	10105777.4
2,4,5-Trimethoxybenzaldehyde		14289262.86	9949706.7	9970544.29	43590269.27	17647709.51	11517519.33	12453791.71	15803585.97	10949995.59	16484232.88	15688131.71	20280277.06	23370352.77	20210233.33	39983828.02	24383446.3	45584939.6	19754831.13
Dihydrouracil		199710277.6	181839750.7	222624608.5	196440469.3	161417553.3	260082380.7	205530143.7	150336915.6	236261650	174754024.1	181511984.7	195108011.3	119413326.6	92241642.77	116036235.8	175715678.1	141229754.3	136152750.7
1-Myristoyl-2-stearoyl-sn-glycero-3-phosphocholine		92159211.11	122371789	16254398.57	61551758.79	44521698.78	64304857.34	22988177.02	60829479.21	41959260.69	44416984.45	12960924.38	63490921.59	11700331.88	37178282.82	23663903.79	38748149.46	53296937.91	70169764.42
Fludrocortisone acetate		6382961	8914710.04	7617409.69	9478924.25	16287908.61	3991729.48	6550470.53	19163902.75	10699878.21	9447527.63	10067230.13	9260983.34	10071778.17	9355568.28	10436035.5	8824938.9	8756910.93	13184835.82
Azacitidine		19462806.52	22067222.27	13974991.37	19168229.86	47291829.7	11977198.16	11270741.12	32507149.19	11679196.47	40084028.48	34778031.93	19501607.3	62678163.13	42540155.34	39804195.48	36256598.81	65549569.56	49980225.59
Imatinib		84653392.87	32660178.64	55748193.56	57811634.59	39323468.25	31037510.32	61131106.94	38096830.82	64875299.34	77475321.11	80496037.02	69089300.01	75703696.2	65550382.38	26325873.5	60150294.08	78265870.65	77676496.76
2-Dodecenal		1610233.91	3166933.67	3918913.8	1285839.07	3346086.38	528844	2780114.65	12231352.1	2724715.22	8593190.44	3228741.74	10020740.46	5268636.73	1404157.86	1085459.93	2947548.16	4509087.87	2063330.8
Geranyl acetate		26821559.62	18570069.77	22725967.42	19003310	18381867.7	25122094.91	32552126.67	32088428.63	34179782.11	27522678.24	18619957.06	22289795.14	19073987.55	21108255.12	17214280.96	19811316.62	26432689.1	31175996.51
Busulfan		19302301.65	24932760.07	21131408.61	19694490.23	20885044.81	19498543.66	17042628.74	14706947.54	17945039.56	15725484.88	14350117.53	17519359.11	16576896.9	15012963.18	16423249.34	14676232.9	14896994.84	17358506.97
5,5-Dimethyl-2(5H)-furanone		13319504.34	8632233.97	11577512.42	2042426.04	991926.43	716748.45	7404847.68	7420754.34	10323810.73	3698616.43	3428789.65	1655953.31	16198626.71	2140051.49	5249878.45	2004995.64	2132056.6	8198949.42
N-(1,3-Dihydroxyoctadecan-2-YL)-6-[(7-nitro-2,1,3-benzoxadiazol-4-YL)amino]hexanamide		97788815.89	64600201.06	26424081.89	8451682	40908056.1	7187373.76	54658780.21	42544804.68	27376103.99	28481805.98	3220628.95	23968011.7	82379462.82	35691732.46	67340513.69	29246197.57	33492289.16	6511464.72
Dichlofenthion		31738553	21363695.68	18085403.04	16319521.57	17034863.55	14612898.23	16891742.27	12653458.71	9712886.56	10287227.54	11346265.28	12711243.77	12191304.83	7846893.94	9538361.1	8909957.44	8400149.64	11052696.97
Pirimicarb		76515188.4	73634110.19	58902524.93	154968226.2	225791121.8	97479944.53	64977707.06	93053610.74	54967969.84	177660846.2	173149281.7	164542773.9	92758213.38	63894218.78	71653889.52	168949856.6	175405097	138657341.9
Glu-glu		4457385.34	3645262.74	2841505.21	1748935.28	8297419.56	688215.93	4457503.15	2653851.67	3567592.92	4281223.67	4331183.47	5149226.03	5286551.85	6872096.27	3893943.57	1821540.56	2423189.31	4038253.69
Flurazepam		21267220.88	8398134.2	4128022.31	11952110.69	6012505.48	3982804.66	6154686.81	7005668.4	4929194.63	7581955.56	7671682.08	7979454.84	66146670.56	7063021.51	33574289.68	6671505.71	4859063.45	5683385.7
LPE(18:2/0:0)		63293678.29	63118827.89	44457181.09	17859619.89	33481458.26	22643485.49	52737927.45	75154052.09	46936681.62	31435152.09	36354512.74	32280236.38	65739523.95	238564506.3	98889375.11	36008309.95	32836555.34	40629767.66
3,4-Dihydroxy-5-methoxybenzoic acid		20916891.14	24657484.75	30958526.48	20460817.5	43378138.28	13046560.86	30696401.19	10328152.75	29050482.55	23901986.63	23273714.32	58161684.67	19618769.86	37198435.82	33057798.06	11806167.26	23251246.99	16966388.07
Fluometuron		28231581.76	52479758.5	13757016.63	88782404.71	122520477	15332120.73	42112906.67	164801876	31188241.46	82052030.01	78500400.74	81017205.55	43558759.9	17545155.11	154657205.1	94231942.29	181537488.9	219230548
Leukotriene B4 ethanolamide		21173876.62	21129625.48	19925568.03	8559869.92	9091086.74	17622313.7	6358926.59	10919435.36	28344395.79	16023246.45	14886166.36	25582674.43	11232432	23680251.21	15855318.81	24689168.14	8373834.75	24027235.59
10E,12Z-Octadecadienoic acid		49942845.72	48422613.25	30522011.64	16948655.75	11723989.03	3358732.45	31043879.12	44049997.47	26263220.09	14309102.45	12758469.61	15889682.9	32052423.47	29731137.31	32609027.55	9034111.5	19325604.54	26972023.51
Geranyllinalool		13284373.57	4468319.9	2290503.91	85824967.96	37756193.23	7597716.79	6065160.81	7704737.44	14788655.71	19826828.09	23486902.98	12504923.59	20832297.58	951727.27	6457270.37	11286500.17	24511337.36	25599944.53
Gingerol		787350.1	764678.1	467415.64	17317272.92	17840517.24	1856924.2	1252153.34	5984628.11	732995.05	24535799.46	20213049.39	5127050.98	4022215.38	2751569.08	4087710.43	13530993.01	48295435.18	7813308.8
1-O-Hexadecyl-lyso-sn-glycero-3-phosphocholine		15231755.82	6166332.62	10165179.81	2896806.67	4084829.47	590261.56	145026483	174123454.5	150353738.7	3124566.6	2137731.86	1746395.87	8120427.95	227077321.5	8543980.82	3609477.2	3108719.46	1483430.68
1-Stearoyl-2-linoleoyl-sn-glycero-3-phosphoethanolamine		64404671.29	146614420.4	30144799.18	3198481.47	11643917.08	12393064.78	6207865.12	6876360.07	1616477.35	16174228.2	10495243.6	14666151.58	5467553.55	28149669.75	13122861.13	19958653.34	20918613.28	14354035.75
3-Penten-2-one		28048814.9	42597829	105547739.8	41118216.34	37108734.82	44006637.85	44410555.24	51769543.47	19229000.51	18645180.72	36441162.72	17629994.8	30495822.83	41998014.46	27110265.71	30082618.09	65943812.43	54508869.32
Methyl 2-octynoate		104803885.8	141672238	124753134.5	107332210.8	89470325.31	118992630.6	92464098.82	88127232.45	190441964.7	83436298.14	39170897.76	102634264.8	71909175.34	89749562.35	103456733.3	79307081.76	102059761.9	52681701.97
Dimethyl suberate		42398432.74	46097919.82	43019761.9	49785734.61	78626123.89	38254743.84	32961414.76	118917099.8	41366813.44	40704687.77	35426580.74	119023346.2	117702762	119454953	82394513.32	99482096.7	62527179.76	164219467.1
Hydroquinone		4664978.94	2885695.27	8524568.83	12847431.16	13258353.44	8075403.75	6421138.24	18399425.97	8855834.78	3125770	5240463.77	19802585.51	14320485.45	5678358.68	5515930.27	26947416.26	12677113.81	13297512.15
Linezolid		5697346.51	4442166.36	2423231.63	1631642.51	6124162.35	3193110.31	2701138.67	6073485.08	951688.45	17593953.52	5165573.59	12230836.19	7451885.29	10408228.13	11362838.6	3878671.92	16601629.01	11189709.73
L-Arabitol		381268024.2	394272020.6	427606132.9	379301062.5	340217756.7	471660356.3	399501211.6	304797864.2	412125561.3	356542471.3	384768929.9	433428386.7	311900944.8	276825878	317938270.7	395084049.8	279159469.4	337360667.6
Monocrotophos		147841996.5	111907980.6	146339374	194065148.4	137052557.2	111384087.5	137500563.2	143276916.8	129784075.1	131678950.8	121615926.8	137781221	152938671.4	118771571.9	148441045.7	127348552.5	137219125.1	139631138.3
Colchicine		18543728.97	8955227.52	13211024.82	20673773.24	16853380.49	7994285.81	12262426.53	15853274.74	13970905.21	20184254.36	21211915.52	17403037.39	19373525.88	21323175.76	15581225.6	14336172.63	23193594.16	14581132.43
3-Dehydrosphinganine		12758501.83	12596466.83	7547409.65	6834022.45	24999108.72	5896015.12	10122895.09	24259961.68	7684142.36	14290436.42	20405721.61	8910554.72	19385592.01	23279744.54	24826494.67	12524426.19	12823240.17	12434375.46
Dexrazoxane		31147311.46	26269833.54	39694761.87	39841285.3	57020150.1	22383665.64	43458769.06	16646314.84	43769110.3	39808757.57	11396718.36	38375786.9	30466772.72	41414073.33	29141508.91	44825752.37	33085554.7	14646318.28
Nitrofurantoin		16918308.58	15407520.04	10855114.59	27177291.05	27062664.65	20274035.8	17538679.64	28207923.8	12328785.08	26876138	29861129.43	36172918.17	25175971.99	33656107.43	33062864.49	33741695.81	27262736.69	27903094.24
7-Ethyl-10-(4-N-aminopentanoic acid)-1-piperidino)carbonyloxycamptothecin		3418620.37	441815.35	583694.86	11889940.98	16624632.37	4691704.81	2583461.88	1545895.94	819207.1	10359935.33	11435475.14	8892459.09	5266917.03	984568.73	1824549.13	10476734.29	13258835.28	2203107.57
Ketoprofen		69397342.37	67368483.33	10349248.59	10060614.71	34638701.93	3371486.27	26127841.96	142527081.3	5692238.56	17270456.96	13448921.28	36767024.94	69504084.73	51793010.75	77523098.06	25202029.95	42775538.42	145023584.1
Isoquinoline		16205508.9	28103087.97	99569062.2	28830832.22	17858203.24	22774985.81	8535340.06	15957769.53	22051170.26	10649202.45	19605165.65	19223235.6	28721322.12	18268527.25	21728205.37	24151488.95	22306348	19091370.43
xi-Dihydro-5-octyl-2(3H)-furanone		14310416.94	15476841.31	18963033.82	11806677.43	14707401.9	16104603.1	17129177.6	24921566.01	14715177.17	15755892.33	16794762.22	21592641.79	17074621.67	14172802.35	20821391.86	14079293.61	26204990.42	21978914.45
7alpha-Hydroxycholesterol		373965265.8	271103057.4	789473685.5	141461504	861531886	160395195.3	107101592.3	195491060.7	60500611.73	144092347.8	103074114.4	518087972.3	836126264.9	66437688.61	77931739.41	159052703.5	198768052.1	1651342394
Cabergoline		3808776.76	3813069.53	933018.39	510176.64	1571323.4	2373876.24	1973323.8	524181.17	603321.33	12086427.48	11323159.79	7966582.71	1711278.05	8527291.53	3050670.76	3778492.18	9997909.68	970903.56
Fasciculic acid C		42321857.3	30533875.14	13398471.75	8466512.64	21731546.77	5083938.86	16793173.14	17507330.79	9957407.57	12218323.19	9233577.76	8932845.01	26740323.71	13069612.43	25682427.65	10872402.55	15522318.91	4394791.51
2-Methylbenzyl alcohol		47292228.55	36016693.75	37378250.21	8827116.61	16720068.13	12849428.53	35807260.36	115858991	27095772.46	15536124.79	14865993.65	15818976.39	48454520.82	36552574.74	40399424.73	12615242.87	15514972.5	12218277.15
1H-Imidazol-1-ylacetic acid		6259574.16	6100281.14	3295685.69	2558941.12	4215782.45	7097091.4	7802306.3	7829807.98	6892336.78	8434486.91	7505860.96	9849991.31	7161302.97	7412389.34	5247776.51	6929673.53	8160405.43	8798008.03
N-Nitroso-pyrrolidine		545183098.5	150267249.9	189229220.9	170751064.8	148489435.8	165226964.5	187135549	180219107.7	125797991.2	160280333.9	122925021.5	165159281.1	186395289.5	201597414	182819523.7	916278536.7	135288767.7	166423164.2
Demeton-S-methyl		49774279.78	72525103.05	62334920.58	52879338.26	29277791.3	35860599.23	38450496.38	45375982.27	39710357.47	9631913.68	20185089.09	19737063.78	48708600.98	38022335.26	22036415.88	11792483.11	21438411.27	23060050.09
Dexamisole		68514717.23	81874687.82	40266442.27	56513657.01	126461761.8	14592743.7	45325418.3	145311945.6	32477286.45	104184805.5	79179220.13	70172567.85	223789568.8	227794719.6	302724445.3	81592116.87	154827617.8	132486726.3
Ercalcitriol		12717540.69	9253911.67	9258891.25	12273620.6	14333792.24	11093623.96	9446538.82	11107390.9	12803740.89	10878633.95	10550388.27	11286591.36	10226441.97	11345529.98	10379259.45	9077914.64	11088697.67	10231153.29
Camphene		1100861.62	9239006.02	2356689.7	2122392.45	12109938.13	2886245.26	3072878.93	6143939.27	2757983.04	1593560.62	1699034.09	3426051.19	7857423.06	4184360.7	9272547.3	3248779.86	10944720.64	19715106.75
Erythorbic acid		511440279.3	359930481.8	375496869.4	364961554.7	504282316.9	238266312.1	305877543.5	266136744.1	362882775.2	297888772.6	293112679.8	241706642	258839546.2	200132433.8	191484873.8	227084227.7	148688237.9	264492299.6
Diosgenin		10180582.9	15949405.5	11341504.66	9337927.14	14121699.81	34420217.94	10097120.47	7730493.27	11296758.04	11457950.09	9543555.67	13315046.31	12170977.1	21869728.4	12743030.68	10380381.29	8859545.2	30582519.25
Nabumetone		12431913.7	12410406.29	14098001.72	3752627.22	11886055.29	1508386.56	13495661.18	50472963.16	3663436.16	13479636.71	7231897.5	6375631.78	19759445.71	33034819.06	119743324.7	30995943.65	64086392.41	39751317.1
Ginkgolide B		154873.93	949515.66	186602.09	419762.4	2987469.85	426931.18	1374951.15	1187125.28	150052.56	944049.29	1254509.69	764467.41	2235353.72	8132467.33	5560048.4	1754740.95	3589928.07	3721840.84
Geranylgeraniol		111187946.2	106963120.6	106182043.4	139828994.9	161794973.8	99113397.94	150462628.3	200671062.2	96355896.64	177800172.8	121866725.1	164020329.8	107897142.8	140432054.7	88932422.16	105945671.7	135206694.3	132993334.4
1-O-Octadecyl-2-O-methyl-sn-glycero-3-phosphocholine		60173.62	2265064.48	4290580.27	6931683.28	8931434.75	20801556.41	9042151.74	25222.04	3193591.1	5296451.61	4530752.41	6708781.34	101715.35	40269951.3	3987809.04	6498666.99	9184736.68	172322672.5
Octadecylamine		76085663.8	107685409.9	95275754.54	1572863819	2105654851	990148385.6	66486961.02	128222024.7	152967200.8	1033480244	976731817.5	1073705165	44576721.5	121100238.3	66169664.78	1137570184	892534912.2	359658683.5
13,14-Dihydro PGE1		37965808.21	33868080.48	12844316.65	8311148.17	7422023.78	15306498.81	31444696.68	598774.59	12980711.03	40957940.86	28724471.12	41622187.9	7983924.33	211279.22	667266.4	28794511.85	9647298.03	5039212.61
1-Phenyl-1,3-eicosanedione		22625684.96	25858555.42	11318111.68	34418473.28	37700637.9	12225324.46	19439340.65	40084142.56	9941524.17	27469521.95	23846573.45	21156087.99	39946916.74	26297432.33	29977422.58	28383435.2	41126184.83	27103210.79
Mycophenolic acid		6507862.33	5777250	4687438.36	17781491.75	42820848.13	6689718.74	4776695.53	8237708.62	3397901.98	32383686.09	28302888.68	29523734.55	12274377.57	6575738.56	8806161.75	23598065.43	43218357.76	28405175.54
Euscaphic acid		2126382.83	775423.99	945697.72	2116375.57	1633733.44	1088561.43	2086090.56	2310580.03	2219213.22	2208120.73	2084993.84	1938694.08	3440195.5	5460685.59	6400886.98	3417058.19	2470972.09	2973858.01
Moschamine		1774874.22	232473.66	1981882.88	5882783.04	12098459.13	2766594.12	2878251.25	899529.68	2566899.18	11965121.19	9533167.61	8431035.44	15632298.14	20758890.54	22510807.58	9722565.78	17559531.79	16036575.43
Tau-fluvalinate		2381789.12	1401191.23	1627438.95	3457645.98	4341967.9	4359474.37	2820546.12	4693813.02	2290826.9	4077779.2	9355545.31	6717035.71	1279338.15	5501889.06	4177808.12	2545438.98	4701455.11	3342166.33
Selegiline		351418647.1	232295418.6	194639079.3	2112511.41	1007769.83	1417177.22	146156580.5	420753969.6	102755406.1	1308299.71	532087.81	1883416.43	513886843.6	306434950.1	277697378.5	398109.21	3377946.53	2068295.52
6-Butyltetrahydro-2H-pyran-2-one		5622338.86	10417545.16	8341914.01	11964418.13	7333275.66	13773262.67	7028825.14	12768820.49	16932136.38	6920507.28	8529087.8	6324558.71	14438351.96	7492899.86	8980953.41	8950999.65	10266444.84	12929616.4
Mitoxantrone		5713086.64	8497395.33	2226859.78	1496520.73	10897890.03	2688012.37	3562168.18	12727570.46	1665196.01	5655824.72	3651850.86	3564807.78	42485169.25	56552368.29	64711743.61	7152411.05	13937252.44	6042360.33
Clotrimazole		1945886.17	2456407.74	424236.72	3635973.34	7525060.79	1692309.18	2357357.22	5488895.86	2258701.67	4851258.15	5303507.74	5054032.47	4524984.71	4969596.93	4859764.25	5662237.92	5219936.4	3916380.73
Pranlukast		137650.7	270242.98	86262.43	46282.82	472916.12	103069.96	48092.58	366349.01	266667.45	54865.68	197435.84	214647.35	7284745.37	8824292.07	6353808.35	66212.86	447148.15	325220.65
4-(Methylsulfanyl)-2-oxobutanoic acid		105191968.9	103320377	134926533.6	87161236.55	224620377.4	49961443.91	61494462.02	65135257.04	82052307.15	99626854.15	111149589.3	318944459.7	111066510.7	99731238.95	177345663.3	120934221.9	155139191.6	126248319.8
Isoprothiolane		10489137.15	8377627.17	8427559.85	9700068.84	7067302.02	6840880.5	8089042.41	2410223.46	9196746.19	9439776.64	7543577.51	12858930.2	10438625.75	11771951.37	8020179.28	7559193.77	1347601.95	7814279.08
4-Methoxycinnamaldehyde		9537122.57	13484899.29	10470873.83	8103363.12	8305803.94	7502473.86	29480820.2	36305223.58	21456265.52	23989641.19	31914206.3	24104162.94	16874263	19281922.44	25521241.92	13002689.08	55159539.16	29319207.19
Echinocystic acid		10157067.63	14442239	10553553.83	17545461.16	7944372.12	12151965.27	15386444.5	17333414.39	9245325.38	14403719.85	10008843.5	14041665.09	13805058.9	13184765.63	8063442.05	6268960.3	7282983.78	11665403.42
Angiotensin IV		6433804.68	9683069.35	1934979.54	12412114.52	5448414.64	3774514.63	1913917.52	875228.24	2259684.43	15648617.33	14109018.06	13037031.43	6316021.68	308179.53	396467.08	25002888.4	18624100.21	11380578.35
Quinone		40293001.73	31193160.99	80913134.92	37081400.41	15585699.29	71591068.63	52227641.84	19668901.4	52509808.27	20685174.21	25903264.49	30103733.73	20769661.38	10526067.04	12651894.88	22173555.09	16529493.82	14895278.59
Buprenorphine		7719889.3	7179502.68	12538450.09	13023662.99	7038721.05	7908080.8	11209370.72	7429092.93	9718613.36	11928824.08	9029203.71	10018974.78	8266842.62	6644025.43	1375865.28	8499784.63	8550804.41	7234289.84
Simeconazole		2255403580	1273791968	1208790226	900127895.4	745213567.2	698163673	1670111713	2282858449	1512186528	623587971.6	758377377.1	1660503400	1364917929	1503174940	1244611838	452421639.2	2871264689	1357366924
Pheniramine		4888945.71	5719694.56	4375728.53	1960558.3	6470619.45	2467293.06	6099329.09	8775211.1	2238928	321590.16	261939.38	4073156.65	7940527.89	6409903.55	4114746.54	1629351.7	11421196.7	6936548.78
9-Octadecenal		28382051.42	31044401.3	10169747.76	92028140.81	185977202.6	31233843.6	38318613.33	22108037.86	14781084.77	61676967.51	18690347.42	44603281.73	25939821.12	18293323.18	21386535.87	17390480.28	124843472.2	38235049.78
Nitrofurazone		43381074.81	133960225.2	82207716.97	71948938.47	62951146.7	111513681	53559760.28	55827963.55	69078157.48	116666943.8	71892526.25	58285132.04	428602457.6	63645448.47	36671075.23	65287829.25	40527998.81	59785502.39
Salbutamol		76162060.44	47379473.35	24880097.71	33074948.9	37167820.01	73538768.96	81108567.29	35682476.09	109469374.7	66795268.5	66925238.34	76576064.13	60923489.37	67298900.18	49221533.19	42875266.45	39470664.29	42581934.1
Myricitrin		5402370.26	7822803.98	3318837.04	5711639.16	3423574.47	11517608.85	7631631.74	5531844.05	4503317.15	6030898.38	5274411.64	7841328.03	4802865.96	5701022.42	3651380.23	11442673.08	4219463.61	5379978.27
Methyl 1,4a-dimethyl-6-methylidene-5-[2-(2-oxo-2,5-dihydrofuran-3-yl)ethyl]-decahydronaphthalene-1-carboxylate		54545767.59	34211692.26	42528434.24	18350170.09	12732840.71	4651320.53	30961621.45	32325925.43	32064695.27	5017450.87	17654455.78	7955960.43	51122466.09	8612687.48	20505262.88	12588658.32	14754524.32	23126936.2
Guaifenesin		15857094.73	63404692.9	13214506	23809637.95	27979852.96	19288078.37	16323303.05	20323455.35	20016811.37	18645666.39	15112740.77	10778655.02	26663220.5	18589733.21	11915857.02	13966679.71	14415780.72	16402811.19
Glyburide		439416.27	686311.69	244008.97	1288965.91	6069452.88	866022.96	713571.15	2436017.96	250370.72	2395905.51	763504.77	1798433.74	2037860.7	2597020.22	2027433.72	2453572.34	7797063.37	2821467.11
Eletriptan		43897392.18	25786286.85	31655675.95	10609136.02	4168756.05	7657044.95	31033787.39	19781618.27	24879650.44	1699275.44	610781.95	19932078.23	41231553.78	44850075.11	16418141.55	2937416.56	10173897.7	18881880.34
Chelidonine		308751007.9	386632055.8	203944757.2	152830385.4	380523559.9	88888296.25	210403060.6	712471374.5	312755541.7	146210231.9	255099114.7	229813093.2	1674989476	2340653905	2521314303	134671434.9	505899018.2	231871389.1
Dyphylline		17032018.52	33774415.65	7877714.55	56857990.3	83585529.24	9913027.28	25625591.38	104942150.4	23475644.07	55885854.17	49457024.85	45801981.66	24866719.01	12763412.03	99992102.01	66238699.39	125232892.8	173481999.9
Voriconazole		200034479.9	238039646	170408306	202025178.3	481215667	150912638	160489830.3	331106138.4	140534698.4	302859418.5	251663248.6	238730141.5	304459593.2	222248759	335347976.9	253623881	310467767.3	309847913.3
Angelicin		11071528.96	5991447.64	5638604.96	2893642.59	5639625.4	5946953.54	4528007.15	2725815.67	3492702.87	2994697.52	9852391.08	23345897.24	7817971.97	3307113.41	4091178.54	7613241.31	6577154.27	4555990.37
Flucytosine		2019110.6	906616.94	1019811.37	1757682.42	1132746.99	2434233.68	1926119.07	497032.01	2273740.71	1934301.04	1069648.66	1638738.41	802899.42	665527.57	394606.55	709487.59	858358.37	1347638
(S)-(+)-2-Hydroxy-3-methylbutyric acid		18832420.33	18445105.32	17330601.86	21631592.89	23534818.22	20117361.2	25136541.49	24704881.74	16835892.99	21400144.99	26016564.8	29902045.07	20995139.66	19798154.31	18662980.45	23971825.34	26388537.84	27766029.84
Thiethylperazine		2917531.97	293544.89	813202.11	226388.39	1572898.11	3145055.44	4940369.76	1614452.82	3564859.32	3399815.17	6869971.41	4334424.64	3028609.97	2129374.42	2005708.88	2699419.03	9899883.63	1816788.29
Ethosuximide		19648403.74	18202993.36	13789800.81	8471907.64	11012412.4	6086517.16	14284275.83	23356213.15	11804263.8	8640321.25	7161063.54	8332365.98	24691144.76	18436307.73	19141800.07	7640801.63	10516809.24	11133182.43
Ursolic acid		1883123.9	979305.27	381730.57	5312094.95	8353051.61	2154677.33	500317.81	383850.94	326372.34	5451821.38	3539724.66	4259328.14	797412.14	78139.88	580203.54	4012375.21	3626387.37	381471.54
Atazanavir		1261415.11	694423.29	1692922.38	1217648.2	428439.54	2095416.97	187233.31	2574899.4	2468495.78	1439389.96	1067361.96	670094.26	488536.49	692769.06	9127677.46	743537.08	4150656.64	4264649.87
Secoisolariciresinol		212.7	1063.15	212.59	212.55	2224.88	213.59	212.6	55581.57	212.59	212.44	212.19	211.87	212.61	212.59	6009.8	6951.75	33451.75	45779.81
Ranitidine		184496839.3	185751654.8	183037914.8	208548754.4	210363472.4	211405497.3	177264366.7	170736375.9	157656757.9	211572699.3	223769024.9	201772617.3	162726962.9	176139533.1	164354055.8	193356694.7	174895358.3	184287947.4
24(S)-hydroxycholesterol		528840.9	1323121.35	584625.64	608902.77	4244493.92	420643.91	672629.21	586374.36	115054.92	265672.64	248485.75	2495614.39	50630.42	62779.32	239318.38	296000.13	317955.37	814086.45
[2-(3,5-Dimethoxy-4-hydroxycinnamoyloxy)ethyl]trimethylaminium		26595542.25	18446299.18	19589460.73	11517337.3	10488762.64	92686398.89	26586369.03	20141944.06	23630255.13	32032922.28	241089552.3	26017593.18	17342923.94	38267868.95	28590237.47	81827340.11	77548456.41	36033976.51
Cucurbitacin E		13476599.41	13102012.22	4144445.83	1961698.73	726128.29	4302893.5	11796204.94	898239.92	3896993.12	13926435.38	16095015.09	13088611.49	3508877.83	369360.64	525552.03	9495227.68	2792367.98	1107471.37
Carbophenothion		1599584.88	3928995.92	1599203.3	4247483.54	10570139.82	756626.16	2752403.55	10393191.72	1819681.28	3460791.04	3727091.66	5136533.42	2343181.41	4263826.85	7243380.3	7217411.16	10890070.42	10784857.69
Diltiazem		5047797.94	7078404.44	2218829.26	2304512.13	9811783.82	1713287.03	4233938.64	602519.2	2044358.8	12765131.07	8259138.26	13590615.64	3163558.07	5975517.18	575515.7	18033343.01	19394703.66	12945196.1
Octanal		14290874.55	13674805.93	12965707.1	17012422.55	14927390.77	18950169.01	21698766.6	27112043.77	42729581.48	17718630.95	17221175.11	18918698.13	12775892.28	12472300.43	69731994.16	15996605.68	25805064.67	38564092.37
Procarbazine		43536222.89	36894667.71	38267393.67	36440671.43	33342655.67	37463839.95	35418115.17	39847161.9	42968630.66	38771927.57	41162463.41	31385618.68	46785968.64	38747348.31	33721706.72	38165681.76	37862396.55	33549627.1
LPC(0:0/16:0)		795299.3	3626561.72	1748266.99	4608666.32	13538119.12	4875334.2	7819302.4	9297093.83	3361495.62	15396990.77	13521621.61	3940908.8	11727753.16	31551388.3	17168932.03	16372261.05	13969407.69	11997024.93
5,8,11-Eicosatrienoic acid		7205441.12	3306274.98	1382575.29	40597617.14	35168047.27	4642867.92	2044704.76	3197907.39	1100537.53	25758082.93	23777020.05	22273394.8	490285.3	1339936.47	1167133.03	36874570.65	23223242.55	10922752.79
Phlorizin		25861546.88	21563144.57	17323645.35	11544435.89	12042429.3	15793555.62	15711412.32	14007581.2	20785423.07	12762852.46	21347471.87	16701030.21	20291661.31	24893768.17	13872179.58	17991803.34	17894603.26	11565540.16
Yohimbine		3194817	8381993.68	1123586.61	667507.14	2522665.7	968556.7	1376375.08	2579210.22	349143.93	5216200.02	5735922.06	2759456.94	1429049.68	2316169.5	9461777.92	6391919.11	11048809.23	8074867.86
Betaxolol		577122.24	734040.83	138180.12	1625738	81276.76	2264291.78	477533.66	1232025.92	1374592.33	420720.82	460558.61	580041.87	12479067.18	4669412	14668566.08	338674.49	388816.57	586697.92
8-Demethyl-8-(dimethylamino)riboflavin		101055254.2	63324484.01	35811148.32	75765939.65	50703484.83	36485253.14	83861400.83	104187686	29300958.17	61888035.4	32860201.35	96180189.31	122376357.1	225931700.7	99938830.8	96759015.52	131890108	111948407.3
Alitretinoin		6037370.33	2402142.88	5730539.23	6347041.62	3387870.14	8137458.36	5331463.43	13102668.86	5551012.02	1260706.21	308730.26	373069.24	2331074.73	2431371.39	1891733.42	1730562.16	10462304.59	14573201.75
Dolasetron		7070276.31	5722421.92	2126314.16	3955288.6	9433552.26	2122248.32	4645156.94	9613025.01	1939428.63	6476247.9	7526349.14	7208118.49	10004091.61	14583813.58	9210935.83	3550963.19	763919.73	5131755.61
MET-enkephalin		4923613.36	3110753.34	1034862.83	8637541.65	8450100.81	1408261.63	10230718.76	7739079.22	1248849.74	6631472.7	8486978.17	6676547.29	5571114.92	5637761.31	3859790.28	4953816.97	14610067.33	7438756.81
Cyanophos		454287573	448396383.3	428800480.3	419842544	413804493.6	64033900.73	392674626.1	117327729.5	423567499.7	394316319.1	44337844.35	378459102.5	371844676.9	385578360.8	396823387.2	72358167.88	393235083.5	382876855.7
Ile-Met		288745128.3	304941811.6	319180695.9	310358461.5	278732784.7	278199211	278888838.4	159547619.5	318486018.4	204130824	218009304.1	110941756.4	133468614.6	182495895.8	128173076.4	130334640.4	103953689.2	213124547.3
4,4'-Dichlorobenzophenone		8964245.36	8281863.89	31161299.99	6589245.5	5628055.85	11217899.58	28112398.65	5495802.61	5370002.22	8327839.37	6765441.3	5455313.62	8619020.38	4947183.97	6418096.39	2718884.07	1162917.35	2153055.89
PS(18:0/20:4)		19177901.95	11145496.98	5701789.16	2713190.63	6261602.89	1584405.21	7382065.74	6809438.23	3844006.93	3894424.51	2589341.47	2743605.71	11702063.47	4949892.59	9709903.22	2881100.96	4420040.47	2276556.6
Exemestane		134628727.2	49993107.87	23867205.4	19162796.84	23469713.04	11692280.28	25551165.37	50153608.86	21100015.5	7965155.53	1271621.31	30271613.25	67435654.47	27672927.79	36015194.18	8482826.48	46284409.23	46354959.74
Irinotecan		3694034.95	6481033.46	787638.88	4007127.4	14141293.56	164533.8	1030665.15	2778646.99	1253965.21	17328797.62	6208739.14	5009390.22	11166988.72	368401.5	5510064.92	4508285.08	9597170.79	6851063.64
Eicosadienoic acid		9992214.48	4501175.19	1175857.61	105389689	55210736.02	83526848.03	1333352.2	4077595.06	7826295.24	104802112.1	73930513.96	114268418.6	1190517.12	1209382.99	1036150.73	77110764.21	85422979.1	971577.58
p-Coumaroyltyramine		10251249.98	11167383.49	10099603.91	10444583.7	11915495.15	5392344.32	5758927.04	7744094.53	5877759.87	8570696.26	6882989.39	12940960.24	13898251.5	6926819.96	6307152.82	5045919.71	8172759.43	11582048.52
trans-Sulindac		781112.03	3012667.83	569222.5	7468059.37	11157759.95	1046774.97	3629364.13	5509884.14	1076919.04	15828168.23	14232652.05	17115020.8	9442134.12	52326183.49	10887555.45	17494482.32	11681643.25	10201656.81
Chlorbufam		26698935.56	18868715.42	11257877.01	9936571.91	19015890.94	19325819.07	14149315.77	17784875.16	18531141.44	17400835.91	13655111.03	21346359.91	34623265.01	20096333.88	21167926.33	18121237.38	14543442.58	18431969.35
Difenzoquat		3495148.89	2560987.21	746738.97	6155585.31	3360237.6	2543930.46	1956433.17	3486610.45	5931463.39	1980080.46	6235433.27	6134428.11	3069454.63	3504419.87	1520173.01	2312676.79	4777394.56	7304714.28
Diazoxide		18954616.3	25425267.09	25889105.63	20623490.34	13587760.26	20374898.35	19287628.92	8903341.91	16571516	7839892.41	8940577.63	21135279.21	16998768.07	11541697.76	16775342.72	12699878.8	2615904.25	4469548.23
Chloramphenicol		6273422.57	4274742.96	4477072.29	2180210.56	1518303.06	3275567.42	5274716.69	1558222.3	7603409.06	2001815.11	1820114.46	2567267.75	16455202.44	14465651.77	13615775.45	2334091.35	1569919.6	1312196.4
Methyl linoleate		2267307.81	661423.77	2029492.46	68539355.21	100995059.6	21259609.84	2651637.76	2516404.71	817077.52	61547428.53	51535001.77	59352659.07	2939962.48	817395.67	1052432.11	48988128.19	54885550.31	6414668.84
2-Acetyl-3-ethylpyrazine		90926682.33	76906080.55	87388917.84	32941757.47	53906231.09	48504061.49	83407976.34	74203384.66	83355450.94	55977960.53	56757321.56	48494577.04	72465252.85	92391605.31	71312857.66	53155549.75	49746865.87	38332178.76
Stearoylethanolamide		32498410.14	24949191.12	11581391.06	127069192	194324018.2	55245687.28	22943542.58	25553902.46	13261260.01	132050233.9	125040461.8	92562453.27	25815090.28	16297093.85	22073706.31	128954747.2	109921973.8	32355748
21-Deoxycortisol		6738538.71	4844183.41	1114543.27	2229667.96	6725257.42	442625.23	2228505.83	9795626.11	522288.07	6099571.12	6865016.13	1972013.63	16555114.54	3813318.77	11110013.2	5173019	9614664.82	44294254.97
Psoralen		168043805.6	928660112.2	442488864.7	1086885119	1035235023	1044218389	794888646	882958843.1	998024078.9	954065644.9	1172509762	1023545813	840032206.9	966779809	561360495.9	1039947154	932697113	943233478.8
Rubemamine		893850.41	839551.1	420525.96	365203.7	1512467.2	454211.46	262981.23	2026229.21	807040.9	880170.28	682371.49	678177.54	7029818.91	13796898.55	13765270.26	338322.67	1453453.42	1376703.81
Mitraphylline		4946582.92	7260606.95	1932389.89	3279171.87	3255864.42	3107735.71	1554192.25	655387.72	1047044.76	13810768.15	13702014.16	10496162.19	3298479.28	536799.19	961609.99	10704201.6	5264820.74	495200.23
Darifenacin		5725639.59	18593947.84	2199898.56	1982875.73	2788722.99	366550.74	2721693.87	752787.77	322194.17	7092937.15	7859134.04	7425867.75	5302053.7	2642040.48	23206929.2	11213950.78	16305932.96	13298859.42
Malvidin		26323430.86	24193031.39	10950852.54	11571167.49	31686846.13	10550357.26	13651023.15	28782440.61	9724186.85	32181042.94	30166465.02	32705735.57	25579851.69	42175948.99	42501214.83	15707126.75	23136447.48	30681349.27
Benzyl isothiocyanate		94938262.83	33862574.91	43228797.43	40804665.59	95925287.5	171896173.5	52542572.58	29304997.02	48024284.83	12765185.6	106715201.4	76158511.42	58642045.26	33287444.34	194215276.2	45617739.67	276025858.4	110050224.5
Irbesartan		7460248.33	9865337.89	8098086.91	3853600.03	7721079.55	4407856.75	14229251.07	2351255.74	4272947.88	15649552.37	6611388.96	4461694.22	11565311.89	10122235.97	6308182.35	6219954.44	6699880.8	3665061.34
1-Hexacosene		35565024981	34027515820	30707829665	28345049206	26419825893	26868248671	25550470537	30016174808	30804953684	24961624993	23052323667	25317501283	26921073045	23374008747	33182661507	28312484876	25776196922	29273255985
Mefenamic acid		146019165.3	131852647.1	137432543.1	180395264.5	133759425.4	104756800.9	135355680.2	138791169.6	124316637.4	126047851.5	120168559.4	147334616.3	153484942.4	128521445.5	140501231.3	109556863	135852384.5	138105764.8
Fraxidin		41132413.11	38192657.85	33648707.7	29956099.56	47344785.8	26758642.2	37949598.28	17047056.69	35779833.97	23710763.38	19918001.15	49796270.88	52427344.72	12326076.37	41138783.81	18489798.34	26063927.17	43979616.09
Polytuftsin		12482613.5	10554615.73	6040922.85	4545244.67	7317015.47	2782240.31	4893010.85	178859.71	3280390.57	6551914.79	8731541.28	7247316.07	3198320.1	679093.71	1826549.87	7506695.02	5771703.49	3832695.74
N-Acetylarylamine		68785820.31	58441463.07	47670507.57	64467775.96	60080499.61	45652569.81	49829811.09	76512919.05	65642124.38	43288975.86	51711677.76	55568640.65	77269794.14	122444273.5	60838637.69	28676153.58	73776600.29	61190583.5
Ebastine		9744068.75	10613921.78	567385.43	1882948.48	6056141.58	9288565.67	11054322.99	181147.34	1984639.79	32052357.19	34341194.79	24004288.4	1444700.07	628318.64	691065.66	21972959.15	15582407.29	9077402.52
Atorvastatin		1353197.03	214604.37	401747.66	4504016.19	9787598.86	999395.26	1535092.22	602183.79	296934.29	4169411.23	5417459.84	4625009.85	1341754.73	306966.28	1084192.01	3743201.74	3003359.86	5080082.05
Amiodarone		7507280.15	2890609.69	1869110.61	3764054.87	6229674.2	3287691.64	2709609.57	301536.5	1335232.3	4071059.52	9072622.53	3432441.72	2302538.24	211724.74	387757.86	1068006.42	2072930.87	2986069.31
Amodiaquine		4308032.49	9645114.66	3128920.04	11108123.31	18317570.64	2765239.36	5830761.58	15630597.71	3209532.52	6710259	5768536.41	9212137.82	5560313.92	7997102.27	8761954.1	7272148.11	6075675.37	11956004.82
Prolyl-Histidine		46940748.43	61160291.6	28490980.31	29715034.78	22435976.21	15031169.79	34881215.47	34431446.81	22636928.04	8996204.08	14128430.5	25009612.49	74700699.99	29961915.95	29046707.41	38457877.21	37483646.1	48304623.88
Aurantio-obtusin		215781850.4	237803955.2	160086403.8	78746922.76	243376623.7	79551611.9	225971188.9	245138434.6	100454788.7	161951287.3	163829615.1	128581159.6	167794614.4	216103629	140626551	152116592.2	212406694.4	223361211.1
Finasteride		18764423.37	13716663.13	7705454.95	4693301.2	4688041.19	3199312.36	5418366.19	14383561.21	6444987.2	3614107.61	3244729.88	4260563.53	7510960	8148140.4	9043302.74	2780052.52	7051121.38	9429559.73
Metaxalone		66028596.64	38339970.21	27766551.37	159035104	164132387.4	108470088.8	51913750.49	31541182.19	28438659.32	151654929	98353293.69	95108970.72	53313599.68	17481271.26	41918441.44	95346035.93	170700753.5	3878005.04
Ergocristine		7489.98	7489.98	7489.98	7489.98	7489.98	7489.98	7489.98	7489.98	7489.98	7489.98	7489.98	7489.98	7489.98	37449.91	392998.34	767006.42	541367.63	386412.11
Vaccinoside		18074025.89	18146991.68	17872436.55	31263457.37	7104288.02	15030204.03	23925889.64	10469992.36	11146218.2	17166258.76	16696263.33	30394567.41	11365937.65	17453331.62	14187604.26	19040629.19	19379450.59	9249225.94
Terfenadine		3103137.93	1285228.47	208710.79	784601.24	2315716.86	434350.73	859940.78	317506.28	450395.82	1473761.28	955743.94	942577.66	2686607.57	224316.56	1530071.58	1543904	1734090.99	423315.97
1-Acetylisatin		80676619.04	83377181.59	185367008.3	164205405	73579408.24	171827813.4	158718264.3	114016494.5	175278751.2	125694182.3	136383620.6	146768849.2	138568277.3	66501917.15	65439005.46	141713340.7	72373608.2	118699793
Perindopril		1298289.04	1082883.94	386167.19	4650958.02	8263445.48	2570589.22	1698703.65	3243046.12	1668419.41	4407676.67	4110669.44	4644515.87	1455382.03	490809.72	947146.54	4827077.98	5935938.84	1566251.4
Amikacin		2983146.47	2462382.38	507884.38	771418.37	1289977.13	1540850.9	901642.43	787899.19	724105.94	4320903.92	5150879.92	5005940.72	885857.93	3147758.6	802923.34	3982393.92	1948546.4	1448217.6
3-[(1-Carboxyvinyl)oxy]benzoic acid		23169740.02	4315261.23	29359468.45	1799007.26	1910941.13	40534945.26	26102186.46	2048693.78	29087152.42	4983869.52	3808849.73	2929194.18	3673689.61	7332368.77	1247507.71	2858478.81	1649575.16	405067.46
Asclepin		27540807.67	30961464.97	9448402.88	5318378.82	18708748.46	12178019.12	22746611.92	1835526.3	7232333.74	40153947.98	38144963.61	31339441.28	12008912.59	7770396.28	4913870	29377278.71	35735246.96	28188825.49
Cyperine		12334155.04	13868300.88	11721468.38	12731791.3	16703650.02	6906127.99	6321309.27	8950987.68	8661196.51	13189646.86	7171277.48	14973895.43	18186310.13	7713447.73	7889549.03	896874.25	8921858.61	14201350.82
10-Formyldihydrofolate		68499598.64	80261206.17	41409653.97	79228664.35	241518410.8	39081017.1	70505966.07	101147132.9	37624764.56	169432475.4	132542095.8	103002036.7	88224297.2	83472108.36	51198703.82	99742923.47	244510929.2	120315237.2
Nonoxynol-9		2158133.88	1376361.64	609452.88	16713960.97	29645877.05	6084687.99	18771810.18	1573062.43	69898.53	22899142.76	13696370	13660324.17	2100741.54	804517.26	1108063.87	16615373.38	23719979.59	230173439
Armillarin		611660126	358374424.2	383483191	367984324.5	613074277.8	356585849.7	331027030.6	428789153.3	629717306.1	385528119.3	431573449.1	339216811.1	8843247.13	337032160.5	501605493.3	360832526.1	607287308.4	454421066.2
1,2,3,4-Tetrahydro-b-carboline-1,3-dicarboxylic acid		106394770.4	100036848.2	87367543.2	56612409.47	91996962.49	60822630.92	84922693.91	98018491.09	140840447.9	92501745.58	77814702.41	72712153.09	323494107.1	373661051.5	365334803.2	74818388.19	95957088.28	66539641.84
Aminopentol		200127797.6	204189830.3	210266081.2	222974603	214739615.7	192562186.6	180875751.5	227411568.5	247134710.1	263155047.3	224780280.6	172132351.8	227515808.4	247554480.7	234859085.1	254652821.3	230922834.3	324645996.3
Zedoarondiol		59897416.47	52895948.87	48603151.39	47738440.01	50250583.92	28151151.5	54376083.03	63603790.72	45244074.8	36072963.15	34931485.47	58560294.08	66958375.01	55825212.87	49209974.25	37207380.91	66447913.77	70712555.02
(3Z,6Z,9Z)-dodecatrienol		50614685.85	56349217.81	49401702.55	41005185.26	52638315.81	51031803.15	79096677.42	66621014.6	65537877.94	49140394.83	56529452.51	56732264.74	62474282.48	48009342.21	67226251.93	48235494.47	46919793.2	47768778.79
1-[(1Z)-hexadecenyl]-2-[(9Z)-octadecenoyl]-sn-glycero-3-phosphocholine		60426839.19	101102084.6	105002409.3	81959053.01	76601635.24	42254897.23	29313066.05	17567949.61	20779731.96	118566278.3	185826130.6	44920904.71	81843257.5	35134110.97	81002521.24	18116150.05	86221362.66	86634691.34
LPC(16:1/0:0)		707751146.3	807561674.6	478359661.9	416019521.4	618864982.2	297054278.8	537452467.4	1159670745	524966102.3	633379669.7	724712776.6	627852283.7	896716293.4	7848256110	1643186205	649374851.4	634679537.5	618224860.9
Dioleoylphosphatidylcholine		442027112.4	18142409.87	34525009.74	235535488.1	340321908.1	357192385.7	364488494.4	476733566.7	371265528.2	606932670.2	319436308.2	471531730.4	468229702.5	189740515.9	338108050.1	641643522.4	568843572	1589606403
1,4-Naphthoquinone		52432182133	4123756076	30722214933	29462773132	39020977577	25161722666	23473893995	34991416063	29979285611	32110938919	29905617730	24350509894	23632603323	29022343883	28457058619	22978247412	28338806296	29127837979
3-Hydroxycoumarin		350272328.3	381388488.9	331756920.8	322920240.7	215557804.6	309561522	321623476.4	303628248.5	237632566.9	267286751	319061773.4	232162010.9	336628585	211362697.8	209316350.5	282106392.8	314531529.3	253343588.1
N-Hydroxy-L-asparagine		107477020.9	101448822.8	19249142.33	57179575.67	70938851.86	26144117.52	39858939.76	63228978.3	23168715.22	88278476.97	63024757.12	29178820.09	160043189.8	112419237.5	325847540.6	48115235.96	86786659.03	57362215.94
N-retinylidene-N-retinylethanolamine		1198394.49	212982.64	69909.22	918028.63	2877667.94	476531.37	447854.84	45624.69	104742.67	1357871.86	1142249.51	1530788.9	521061.72	18153.16	230480.73	1924608.9	1545703.25	1370665.21
L-Propargylglycine		4980182.37	2650971.28	813994.34	3211922.17	5452218.26	4939760.14	3412807.58	4457933.48	649934.88	4114929.19	9247060.88	6116094.22	6222592.62	3335591.53	3192562.41	6719434.52	7121998.34	9697893.92
Gossypetin 8-glucuronide 3-sulfate		750262449.2	707346090.4	801087872.3	747957108.8	684937635.4	733749570	781166099.2	651763676	763671447	628934824.2	664476476.6	627989894.2	605749448.1	538821787.4	496666740.7	607443174.8	621959021.2	598351749.1
Cerebroside B		105343102.7	137617145.2	147661265.6	157233324.8	165092045.5	158297304.6	161724428.8	121219032.2	150681854.1	160935141.1	151890793.2	152820131.5	136880064.5	121573157.3	119767919.9	232545217.9	149653403.2	145103385.1
(2S)-2-methyl-4-[(2R,12R,15R)-2,12,15-trihydroxy-15-[(5R)-5-[(1S)-1-hydroxytridecyl]oxolan-2-yl]pentadecyl]-2H-furan-5-one		79181734.1	42424304.75	13590970.47	34642277.15	73199838.31	15559388.53	24111160.13	25567225.08	11279475.86	39534394.87	32524844.48	34537604.86	45401399.63	17362944.09	32614058.5	45056968.81	66998243.14	5329237.5
Pregabalin		16360606.02	23863217.78	28142253.53	27078582.98	27517708.78	32007798.82	27081116.63	28929532.3	34630225.63	23890301.23	14090043.07	19277333.07	25547897.21	18762257.2	21866589.5	21767112.96	26478149.98	20467019.3
4-Ethylphenol		1505361.23	11156729.82	3735628.66	3612374.08	2650892.7	5098432.07	6653615.89	13877831.99	5163315	3615699.77	3663210.52	3118546.58	6919478.21	4129915.27	11009119.26	6544468.3	34817334.66	15186746.21
2-Phytyl-1,4-naphthoquinone		7564935.9	8139072.42	2945651.65	154540116.3	264681661	67676485.5	4556168.13	6142512.95	3358367.18	201143976.8	147892038.8	130028002.5	9750663.42	2463820.85	8439554.87	167659790.2	263671176	41664225.84
Thioetheramide PC		2715896.05	32703432.71	33164907.85	35273512.91	27177512.02	32050462.48	46938727.43	39123831.21	23852885.03	40869784.05	28130808.64	23124057.97	26375953.33	24349280.92	15716179.59	27055921.33	28799170.9	33916291.07
Ganodosterone		123684585.1	68231075.08	35023621.21	316212385.3	580011756.1	162115611.3	92025883.46	48578455.64	36407104.57	362456397.3	321491903	309422980.8	137451461.6	29820476.38	78877378.01	427799530.3	464227662	93634874.68
Sulcotrione		1714282547	1571132615	1734158772	1648572960	1495525800	1707601302	1687170339	1485122904	1711142969	1415942000	1497082725	1436678184	1428071052	1274863261	1248779957	1381730417	1479586316	1331446712
Prednisolone tebutate		11665512.35	10386268.49	8020829.3	26226747.44	46384723.08	11824630.5	6801537.27	7719512.01	4424622.43	31399527.36	28473869.9	30651234.28	18587331.99	6569164.75	7666148.01	30786751.11	33718109.29	33399855.08
Novaluron		1296559337	1209853272	1393397657	1303441544	1156198947	1307436781	1345459322	1172900695	1323623558	1110363513	1117130266	1110189514	1075024956	944418255.1	901506741.2	1062272649	1066378149	1040374705
3-Hydroxy-10'-apo-b,y-carotenal		31160141.02	14867293.54	8431627.41	153475182.9	268620837.6	73542683.92	22334501.8	7757715.24	929525.09	191293571.8	172188326.1	142121310.2	41168278.88	2341434.36	21395313.14	210355410.2	231756237.8	43734653.45
PA(P-16:0/18:2(9Z,12Z))		459564249.5	273591047	112024942.5	55528195.25	97729917.39	38870855.03	201900754.3	112466870.3	90469940.5	69557694.38	61035043.05	66158868.08	327170046.6	73945055.18	200794411.8	62412364.87	76972064.16	15616557.88
Toluene		8046911.05	6980823.27	7877640.8	8278366.33	9778289.1	16881962.36	10561698.71	7932156.3	9220100.12	7885829.08	13118818.21	4613871.99	6184737.24	9441363.82	4744577.84	7766332.97	10983384.69	7791432.31
2-Ethyl-4-hydroxy-5-methyl-3(2H)-furanone		8072818.43	8936573.85	11020370.54	10638296.42	7393795.54	11690764.64	10188108.81	11732690.06	21562831.13	7675285.11	8763050.69	19226875.76	11882689.7	7053394.55	11817948.02	8552771.26	12443361.69	14093570.53
(3S)-2-oxo-3-phenylbutyric acid		1816271.89	1836319.28	1300429.86	1454268.15	2287808.59	735283.81	2039801.88	1722421.62	259021.23	666762.75	795816.65	2336841.14	441692	5247196.48	1679009.01	1517704.52	2226513.53	1907335.58
Octahydro-2,5,5,8a-tetramethyl-7H-1-benzopyran-7-one		17104146.28	16108794.75	29942217.66	8322844.59	9664468.56	9230804.15	12814196.42	13728869.59	9348902.56	9079471.66	8441602.99	10186181.08	17471164.47	29140497.18	11395330.61	8194850.21	7753858	11233430.44
Piperidine acid		10733656.17	10503109.78	8981366.87	11204128.36	12725780.21	7476873.52	10615668.76	7008458.66	83559803.62	47324787.37	9040885.91	36372157.46	8640740.64	11432730.46	7367132.15	14058445.81	17168277.13	7720954.26
3-Hydroxytetradecanedioic acid		13440475.82	12242200.27	20549800.13	8142182.9	8771159.11	4888402.9	9765326.5	14720905.06	3966563.48	847530.27	2262376.59	7482800.48	18793427.09	11127455.04	10383764.13	6693508.01	7864863.37	11585439.22
Kynuramine		803762.23	758080.11	621991.65	2504353.66	1160935.12	1206720.21	2196960.77	6019111.62	1645851.75	3269616.47	4495860.21	3872384.26	2626969.15	2846665.64	1731177.19	3059692.82	6303918.74	5582431.1
Methyl beta-D-galactopyranoside		5735994.66	1454957.22	2653067.24	1170738.69	2021800.16	2001412.13	528136.51	17780531.31	2818210.02	2175475.41	1799082.67	1384193.22	6382692.35	12237932.72	1511215.51	1392144.17	1943171.5	2974998.85
p-Coumaroylagmatine		16138530.82	11689606.7	9868731.74	27364576.78	25938071.15	36490329.45	25877674.81	27419708.29	24851198.91	32298672.27	28179475.99	33098336.13	27164944.54	24893585.23	25953010.19	37000630.16	32827183.22	29372380.22
1,5-Diazabicyclo[4.3.0]non-5-ene		4796453.5	3910809.45	8988136.26	15421862.08	3428891.12	5676352.73	11384569.61	3558917.31	5594370.8	2583437.92	5454078.41	8314198.08	4059385.34	3008669.15	1942679.36	13947104.8	6799085.38	7413076.99
Polyethylene, oxidized		9718936.88	4804530.98	5326360.32	2178577.23	2761483.21	4188194.87	3559551.84	7713191.22	2879907.73	2176755.95	2118196.81	3379328.21	15142702.64	10715330.17	5817016.08	2649631.46	5032929.68	5070816.21
Triethyl citrate		4112860.27	4368940.96	4825821.65	1717516.86	3893080.62	3059701.76	4706678.74	5338647.99	4044152.66	3520657.05	5836613.83	4690252.54	4454518.44	1880123.77	2862010.79	6374105.6	3961862.71	6112383.41
4,5-Dihydrovomifoliol		7963709.88	7356184.44	7294526.42	6343242.6	7598871.06	6267457.05	10494724.02	9665904.32	8328430.61	18857150.41	7589609.75	7818727.8	12279498.83	7872646.74	8128425.18	6643948.38	21142406.87	8371373.06
3-Hydroxymugineic acid		2395654.83	2743754.11	920941.28	1851528.09	2170216.67	1085148.39	3165275.27	150064.79	1002448.77	5055177.45	4285792.77	4064778.26	2335706.37	7656223.25	564228.03	3957174.06	3260849.17	2269594.38
Amphetamine		47401017.6	29867570.94	29659183.29	30388668.2	25789463.12	69891712.2	27444892.29	19750934.95	39075292.08	12290628.53	33578811.15	38213804.12	18908949.78	23090385.56	15922138.96	55522630.76	16340039.55	26554525.58
1,3-Diisopropylbenzene		11255365.87	12714395.2	10869775.24	9240540.35	10958769.98	12111101.87	16137126.56	15145240.62	14686068.77	12590464.49	13014344.99	13169215.09	14111212.34	10289721.88	14570136.79	11961779.64	10958460.62	10018155.99
(E)-2-Butenyl-4-methyl-threonine		10541025.7	12973881.69	10883988.03	14618464.02	19537719.22	6967002.59	17741170.92	17719102.61	19053976.5	13748060.79	9788621.27	11771604.54	15648054.01	13079632.49	15680479.45	13071610.83	16605110.82	17284212.42
2,2-Dichloropropionic acid		1452212609	660824905	1608545424	1689352270	1152156980	1544552653	1336174480	588330609.1	1541822015	1434892166	1711217918	1536737067	1085876694	875579786.2	1007434586	1409089511	1112827766	1074650129
Clitidine		5345278.82	3660076.82	3610444.14	3311970.82	2892339.35	2707663.58	4544983.47	4300867.52	4734270.94	7284412.38	5089232.61	4271396	4273989.03	3676522.07	1996473.05	10831724.8	5164521.09	8344895.96
juvenile hormone III		5522140.74	6344308.11	14774004.27	8999260.92	13264953.68	5471110.42	15938070.91	18635440.53	6512181.42	7412588.44	10727875.12	8332405.58	13384822.98	6186795.43	34822606.47	11067671.11	11855458.3	23186330.97
12-HOME		3084675.24	2677002.48	463899.21	5681528.19	10307536.33	1110747.82	4917108.09	4454817.38	364898.01	11051050.3	7697448.21	557211.21	6580452.97	1156862.6	2158649.75	6460592.82	7347369.5	5938129.57
1-(1Z-octadecenyl)-2-(4Z,7Z,10Z,13Z,16Z,19Z-docosahexaenoyl)-sn-glycero-3-phosphoethanolamine		37542580.06	48133390.18	85704959.59	124964751.9	61945259.89	122779985	127252636.6	165290495.7	114659873.7	89314242.01	42859798.85	80293533.08	81866833.81	38721871.69	58998986.89	42598344.42	43250376.35	40652399.43
5-Methylthiopentanaldoxime		4936755.83	783660.81	3763121.34	3937367.49	2065831.51	15060831.33	2571135.56	1403170.69	3246882.42	871670.76	1866539.72	872931.43	2882007.43	3068890.19	1981229.36	1496284.21	3169427.37	2409103.33
Dibasic sodium phosphate		699542914.4	1169975997	1819697336	1380082438	830955254.5	4299967063	1657854348	907836112.9	1776126424	540622052.1	916479359.7	564557299.5	870045143.3	951141617.8	765952995.3	1139042141	401796132.7	801887659.3
Nopol		2578562.09	2215407.95	3053256.53	2418940.43	2313604.92	486249.23	2073811.81	2304314	2715356.76	1571161.97	1930762.35	2208373.32	1749379.01	1862251.04	2531724.38	2231950.2	1969840.71	5779735.61
2-(3-Phenylpropyl)tetrahydrofuran		1902649.4	6514765.78	5396909.57	4683731.9	5262262.37	3838565.27	6235820.8	8450996.74	6917769.65	4963746.13	5791285.36	7178085.74	10955414.57	5931822.47	5822133.19	6055745.41	6571738.1	11524593.51
alpha-Butyl-omega-hydroxypoly(oxyethylene) poly(oxypropylene)		6064608.69	3964980.1	4183383.13	1764641.02	2913647.44	755811.32	2517573.4	7051397.16	3232034.44	3170208.16	1746604.91	3772535.02	5977513.05	2896457.33	4856571.69	1084183.2	5247610.95	7601227.58
Thermospermine		538914.55	1344042.56	390724.22	2876398.03	7281063.1	1899830.34	312914.28	5758524.01	1557718.04	4093215.24	2627151.88	3581561.32	2082127.08	2546078.09	3716574.43	5821502.29	6448477.27	6708491.48
9,10,13-Trihydroxystearic acid		15540103.73	7595792.24	3086600.7	30132128.61	107604696.5	19561074.88	5947012.44	4784350.66	2997490.93	52377753.88	46032836.49	50503746.9	8863003.41	3024546.54	5514626.86	75044864.79	59413618.64	2394436.35
Citrulline		14068752.2	11515030.58	10899531.67	3302400.79	6121708.31	14191662.98	21575879.56	7367446.57	20151694.03	12696838.87	10122785.18	8202219.74	8042939.3	17618941.88	14123428.56	9511925.12	11921411	6270363.98
Armillaricin		2282432.05	3025159.05	2395975.6	1040321.55	7354896.04	5356940.83	2278603.7	4793017.74	1110436.6	2078937.04	4014475.3	2225089.88	4364279.79	880980.21	812662.74	2405253.13	6603673.6	4455634.62
Chlorphenesin		1147029.02	1353550.94	543061.18	453819.21	1659897.25	824283.88	1382513.23	428131.78	1038667.7	1336043.44	303203.65	2512758.44	324168.58	647694.06	2991989.71	1768576.78	2729354.73	2324613.03
Spirilloxanthin		109160800.6	57840884.43	22630494.85	153548956.5	254319967.3	84544867.2	34552885.67	36165139	20215449.09	147255673	129162252.9	140708811.3	45638275.85	20114010.55	34944238.95	158434015.6	229865823.3	9716275.83
Alpinine		638899184	405338572.5	422512922.7	403371927.1	674911692.7	406248194.7	381807057.6	472425977.4	703438491.2	426070191.2	511538276.2	390475925.6	581950877.1	353847901.9	532860450.2	386303331.5	620576203.7	503804257.7
LPC(0:0/20:4)		6988038.08	11094222.99	3919882.01	7233241.44	16768274.06	5192095.91	6965966.93	8472452.13	3589698.54	18061695.07	14618118.19	16788571.42	5940009.32	18898903.64	4431563.79	18206339.31	21801043.82	19620127.51
Chloroform		212485617.5	204609155.9	221515862.1	246770911.6	261609417.7	135500415.2	210216282.8	509653880.1	182132481.9	242093771.4	213880335.8	209342911.3	212953147.5	190944208.4	197612446.2	220314347	286728904.1	55978294.7
Benzyl methyl disulfide		16209210.36	15668918.54	20490633.42	10457052.08	9121532.36	26832617.32	11059688.52	34457544.39	51811668.18	23226010.23	8128422.37	7116596.98	14886926.55	35892702.12	23812296.76	15063026.2	34780479.03	44878436.79
Lactucaxanthin		901349934.6	514766713.4	201799641.6	230855294	339215069.5	146725830.6	379424023.6	246474786.3	162704502.7	227189314.1	208921255.7	238576974.5	584346721.4	143286865.9	358136059.4	243986962	322576071.4	20087080.09
Ethanethioic acid, S-[1-methyl-1-[(1R,4R)-4-methyl-2-oxocyclohexyl]ethyl] ester		3272990.56	3319975.05	786930.22	1004677.25	3803850.33	1628210.83	711580.24	3316089.68	2891854.08	3734364.49	1451526.84	1547673.98	3281309.39	3391587.07	2569835.74	1417239.79	7276452.03	3290686.12
(S)-3-Octanol glucoside		2219868.15	2222894.86	1385243.42	3903315.86	7323976.84	1165610.12	1074775.03	1432962.3	1534089.4	4946167	459240.16	3189903.55	2002198.92	749551.01	1476636.16	3207425.26	5123494.35	1504454.18
2-Hydroxydecanedioic acid		4807454.85	7614324.53	14847884.21	10125186.64	5581343.06	8024421.08	15339947.21	9278725.73	6246260.66	5936460.89	12050904.65	3788579.16	5198646.76	5620264.86	5805075.07	3941797.81	810753.85	6165396.16
Nepafenac		6599403.37	7523894.39	4902785.81	12982833.09	16543956.85	6744061.49	4761282.8	12558050.44	4498796.59	8338974.58	7957408.74	15730566.42	7842281.58	20410415.5	7447772.68	7048258.68	18640692.07	45492770.31
3-(pyrazol-1-yl)-L-alanine		25403269.13	19152894.98	18082320.19	13653977.17	14165034.37	1701867.56	20743667.24	10800621.43	5091032.37	12951989.21	14222211.41	11234781.86	68915041.74	51385945.87	44064529.99	13689286.84	13413373.04	9387152.31
4-Hydroxystyrene		53816172.56	67164688.58	45787814.86	20997784.22	52927368.33	12672374.86	25979984.01	44416512.16	18241976.36	22641633.38	24076340.95	21306271.53	51149691.27	23993280.14	27141286.55	15430686.76	22612390.36	46009963.8
3'-N-Acetyl-4'-O-(14-methylpentadecanoyl)fusarochromanone		19210669.55	12380505.28	4139469.67	115334224.3	126520957.1	78372417.56	3448555.21	7961349.11	2614463.49	104261839.4	89006418.24	106134407.7	10600969.56	3243560.15	4924729.18	105892269.7	132065051.1	1073687084
3-Hydroxypropanal		7702405.37	10260245.36	7459966.63	9883974.13	6974770.15	12110211.75	6491390.03	47754314.43	5094400.97	9683266.75	12139674.69	11538637.09	5407838.29	134806732.7	18601249.72	7891100.84	14421922.81	15156042.11
4,6,9-Trimethyl-3,5,8,10-tetraoxadodecane		2229759.9	2678236.75	2194888.32	2171388.46	3139415.66	231276.58	1073372.66	3564148.35	2541656.04	977088.74	695860.76	328396.15	3540096.98	3043756.18	2863366.93	822299.94	2680056.17	3549274.75
N-(1-Deoxy-1-fructosyl)leucine		13057359.7	7475405.91	4947539.71	1892114.38	3762410.49	533660.24	8268285.13	5704218.2	11322058.52	4753101.4	4065543.78	2750921.06	85986317.03	32357396.04	138314741.8	2954414.31	4897221.17	3362537.41
Tetramethylsilane		594210338	261692881.9	426189435.1	664949785.1	790179787.3	59281976.64	537159164.6	857985632.8	536522552.5	807421586.7	793013658.8	111544728	778819209.6	616883432	481571040.5	800309761.6	716499487.3	60886095.69
beta-Carotene		2160432.78	908576.63	695974.27	41053091.3	106636838.7	20460681.35	2255291.02	394078.39	931763.22	54575219.36	69704892.64	44890944.04	2990058.82	381998.8	1423955.52	66535876	72590772.56	2446579.33
1-Chloro-2-methylpropene		173312188.1	160043907	157480737.3	138989300.1	144264655.7	145375652.9	152882578.7	141847477.9	155793639.1	130948244.3	130354597.1	139250327.5	140573897.4	131232302.8	120939167.1	131843768.3	131990254.1	137140844.2
Glycerol 1-(5-hydroxydodecanoate)		1400953.24	1212062.42	288314.89	5842920.58	8583601.82	623356.62	1219728.58	1032578.12	554044.55	1423824.31	4142388.88	3806627.76	1484214.88	763666.98	465405.79	2017141.55	4339536.08	302520.98
Cyclopentanethiol		3969145.41	900771.24	6511820.7	1979965.84	9409941.44	3841309.71	4888526.01	6518880.28	7834878.68	6221096.18	5764060.64	6821852.51	8766555.81	1309307.85	4484526.23	5966640.12	6842176.22	11283484.43
2-Hydroxy-2-methylpropanal		33297280.94	35470399.37	18149005.93	22275045.25	70734066.62	18304290.82	21066798.71	16333410.71	24543620.45	21760076.95	18307668.11	20154774.81	24525391.7	20202651.95	32730764.63	28548005.56	81575308.83	39604185.93
PE(P-16:0/18:2(9Z,12Z))		5312171.83	6598624.33	1590659.08	2825393.32	3422203.15	730560.91	1723651.84	1488175.01	738561.88	2101518.76	2510508.37	2138179.72	2399417.73	1666265.34	1819079.41	3720374.41	5031305.87	744778.47
Dimethyl fumarate		524079.51	2062840.32	2589157.54	2033352.42	1635416.08	2343144.37	4458486.21	1078250.68	1922547.3	1610574.12	2557932.42	1512491.16	2255846.29	1582827.4	2992573.2	3186955.88	2108148.73	1936331.9
Hexanoylglycine		2921092.09	1529433.86	2042653.71	6464748.08	8358758.91	3932868.87	2301638.79	3898783.88	2051190.2	5105832.41	8380713.41	4516096.63	8415166.99	7257153.43	8692903.32	7656327.4	6212191.74	21628686.18
3,4-Didehydrorhodopin		9928454.05	7281506.91	3795046.13	105661773.6	204868957.5	48248640.27	4512373.01	8658475.54	4312057.99	132052316	110038433.3	99603686.89	6703031.5	7533690.76	7358431.68	149361945.9	201536682.4	4173520.85
1,1'-[1,12-Dodecanediylbis(oxy)]bisbenzene		20581530.36	20702603.74	21756776.5	22764789.37	22667493.39	21991264.69	20940041.99	21268129.84	20415854.68	18036930.09	21194176.8	20683107.53	20410943.75	19354734.14	20172476.57	22452415.37	19754870.31	17272812.22
Navenone B		1860997.75	2348276.47	1027822.95	1581189.68	1378406.39	743744.57	1564793.6	6039841.91	1633106.64	196067.31	229158.46	1389588.41	5066973.02	7185422.12	7540379.04	196158.9	426919.25	712258.64
3-Buten-1-ol		94108568.25	43896763.83	66952577.25	48273234.93	89902010.46	93047369.58	7099592.35	69932056.19	10365556.75	10447798.64	31739682.62	37811200.74	21200381.29	38251457.76	9018509.37	8235784.56	20721333.04	23919655.66
1-Butanol		7034278.66	27222141.09	10030242.83	8923093.31	9263615.58	6544635.72	6204740.14	6405684.46	6542697.55	7065848.55	6854230.31	4031758.29	7171026.5	6188155.25	11312427.36	5720431.35	3487618.62	9556124.85
DL-Methionine		3327188.44	4674513.8	4436438.45	6046339.08	12088752.86	4302990.68	5039782.92	11665231.29	5120459.61	6882765.52	7458226.32	7938461.75	8623448.09	9394774.11	11092535.13	8563994.39	13624474.03	11331662.63
Galegine		2067614.73	4155345.15	4623633.43	2364244.29	1569630.42	2935446.64	4368172.15	3720541.42	2086349.68	2328446.34	1765005.18	1942494.72	1021642.61	1599587	2130041.66	3138807.22	2388858.05	3797098.77
Actinorhodin		9753870.96	5449347.6	8900591.04	3954185.56	1407335.63	11500775.67	12228452.58	2516676.1	10597608.08	1382658.89	2632732.31	2629279.15	689793.95	1576881.64	637571.87	5276787.92	2046423.82	3586981.49
Acesulfame		128461689.9	95815871.74	103107515.6	90790855.77	87238094.08	91339655.64	93906022.02	106580982.3	80673419.19	80841735.23	87197353.47	84562274.69	79698147.99	78956776.94	76270104.51	79369505.02	82353580.92	82927191.55
1,2-Ethanedithiol		129878855.2	70249981.8	64173132.4	87907572.63	58109487.29	87234060.54	77533469.14	53132548.58	59894410.21	73084862.42	42290372.81	74338058.29	75511015.55	64382962.68	49854579.68	79418907.45	105828475.6	59725684.84
Mepiquat chloride		1527949.07	3549279.54	992767.84	950242.06	1081817.77	1041132.75	692216.97	1708433.4	702120.27	787839.61	417220.26	225121.85	472618.96	670234.32	965223.19	467127.58	748803.88	2539776.94
Isorenieratene		79282667.55	2565375.94	32441362	62476011.9	95684995.51	33129991.64	47010689.11	5895172.74	22069635.21	62339787.12	50806682.55	57090640.75	6411904.95	230329.98	49578307.14	68198753.26	93481845.14	329018807.7
Perindopril erbumine		3591889.28	2709938.14	1292120.12	3105264.35	708430.02	9782239.51	1778467.19	1689558.09	620659.86	1764567.43	4044719.07	7646984.8	2477258.69	2077182.06	2161642.71	4959900.51	4465394.04	25635248.7
Acyclovir		10616690.62	10489901.44	10924458.47	10619654.77	8981325.47	11773936.91	10511457.47	8789238.57	12464812.65	9314777.18	9309003.25	10483303.38	9717490.38	9111021.17	10860352.99	9153817.25	7904045.68	8723875.64
N-Palmitoyldihydrosphingomyelin		41501550.14	24200696.83	16255894.87	10226322.57	4817119.9	8103946.05	6538643.29	7309056.26	8029679.54	4815717.98	1838767.13	13314950.43	8782293.36	5815718.41	14928369.56	3549440.84	13636759.79	17278489.06
2,3-Dihydropyrimidin-4-amine		4750861.95	7769518.32	7503426.8	11335045.46	13275155.36	11340883.18	6997735.54	9470695.6	8161409.86	12119583.3	11650612.36	11498533.83	11263803.61	9558923.24	5979252.46	12177529.07	15095091.77	12322892.17
FFA(10:1)		5861073.07	6351104.56	3157270.15	4597672.71	2589727.05	2273006.25	2687114.89	7970863.51	4433648.68	7039526.4	3937167.41	6187698.18	5319731.81	2892775.04	3625001.31	5412499.46	5393292.34	6064159.05
Glycerol		6169586.98	9557505.99	4044048.86	5316951.8	3008623.03	2204378.09	5039866.16	11712354.33	9605310.72	3171357.94	8059119.23	5997015.79	4421496.8	15093496.12	6097781.52	4180852.02	3612564.68	8720164.21
2,6-Di-tert-butyl-4-ethylphenol		1493720.78	739487	882754.24	6447674.8	11186575.29	1581161.11	2763041.55	565556.18	683794.64	10851984.1	2933937.94	7125118.83	2001584.2	709934.37	1091785.36	407509.01	8813081.86	2342565.95
Methylmalonic Acid		3002454.36	3165934.1	1321447.85	2968001.03	5553648.14	1252988.73	2303400.24	1685436.9	846736.28	4326749.41	4553224.66	3588539.06	6736731.97	8029401.09	8150528.83	4335323.96	5772693.68	5674897.66
Deethylatrazine		3091781.99	3449548.59	1216359.33	5343115.57	13940442.29	1334580.5	2031397.75	18913870.27	1149155.27	7983079.98	10147664.22	8484578.35	3368144.05	4614911.94	17598662.14	9328484.88	21210642.62	10908375.55
12-Tridecene-4,6,8,10-tetraynal		9680986.6	411996.79	7802559.44	984783.93	3002817.48	3170043.55	12619126.3	11403611.8	12980071.28	9480882.39	10351699.33	5769946.17	12862696.28	15843505.29	8048157	4654731.25	8395954.06	10355160.12
Methylcyclopentane		4207639.11	5052481.29	3890536.73	4486801.06	6484803.16	2766795.8	3749565.03	2344594.79	949714.05	4009651.33	4698401.03	4791736.1	2924974.01	2176287.07	279470.66	4497214.7	6810207.8	8638789.11
2,5-Dimethyl-3(2H)-furanone		15009932.74	21539637.25	11954257.08	827314.85	16232528.53	14265037.97	2251713.16	24482918.42	3839498.29	17079797.63	28373408.74	15530079.03	16898703.77	16647266.45	18594105.83	14461910.22	12222489.23	27544557.91
Tizanidine hydrochloride		6653522.65	4459118.39	6815020.15	3991376.92	1044038.59	9280995.35	6504657.88	1979364.18	7683126.3	3186551.77	4508487.44	4781569.38	3099595.86	2375627.32	708100.81	3998755.07	1010372.49	348297.43
2-(4-Bromophenoxy)ethanamine		24474635.23	38348707.55	28565068.24	13073275.64	37429708.55	15074535.45	15175110.41	18578267.95	15641791.49	31819260.55	25241248.89	25922679.28	15859571.1	24831123.32	15030572.15	27231026.74	24679248.87	17487388.66
Sodium polystyrene sulfonate		26726666.63	27886675.4	24669109.77	27957764.38	23903884.22	28464841.64	27822147.1	24235719.27	24211913.42	19260255.6	23785580.55	24598954.94	22822412.51	21276961.71	23937045.96	20126850.53	23394473.28	23540338.76
20-Hydroxy-leukotriene E4		4237546.46	3121334.18	1591629.81	454454.16	982517.25	3287017.55	2049884.44	748497.79	1041798.57	4410229.35	7400369.87	5272220.56	294394.59	4993356.09	234737.6	1991862	322970.08	242782.14
Perillartine		12347464.82	16115351.55	9506118.77	7363061.7	21230333.94	9314424.46	11745796.63	27280903.52	10917819.55	22268665.32	41684099.08	14347330.97	24125663.45	33805316.94	26005611.03	31578204.89	11215804.27	9531599.08
Methyl 3-methyl-2-oxopentanoate		6029415.57	5998654.85	6712445.17	7449940.32	4537754.05	7122048.04	7582558.83	3505870.98	10551379.73	8030359.6	5686953.82	8265598.38	1791407.71	4781414.1	4019026.73	6690888.37	5597766.52	5677026.22
7-Methoxycoumarin		23537096.31	21551741.79	26657464.24	24526468.51	17792943.34	32689148.77	23967024.04	29619725.24	23816141.87	27814935.69	32646663.92	22977715.41	25439227.95	17872330.1	23047338.62	31911884.28	28063497.33	22290384.88
4-Methylene-L-proline		138855280	124013598.8	10022336.73	98984335.68	43306210.97	122408894.2	32356407.39	120242711.8	7180313.42	42774397.71	37888676.62	107860075.8	52855385.77	14229712.28	11279185.53	76576058.06	123809938	43506770.48
4-Nitrobiphenyl		18679660.81	20902016.17	22770112.68	30106152.71	20856664.78	66917227.56	19097577.27	17049997.32	26009736.84	14171096.91	18948852.37	11439988.54	19860329.8	18874861.61	19738426.21	18203280.77	17006888.53	16218153.27
Diallyl sulfide		60795293.16	53681470.12	54731434.4	64679872.07	69590771.98	22108597.62	31217110.42	32397341.99	20739658.4	18993437.66	22097867.18	23165929.11	12761206.31	12497952.96	12186470.22	15512232.49	14235553.85	20675257.12
2,3,4,5-Tetrahydroxypentanoic acid		36223349.65	15390842.69	32235546.39	33793478.75	38064914.59	33271869.45	37081333.89	34766025.32	32137399.58	39401603.67	42422396.58	35227852.74	38685258.86	28394084.25	34904127.27	44796228.11	34301326.4	46811351.31
N,N,N-Trimethyl-Histidine		7503755.56	12597448.75	8246603.92	9535717.76	12428934.23	11039858.85	9181030.24	10224351	10255246.88	7802220.12	7762678.07	8603499.07	12999672.48	14445503.87	7170969.71	9817935.85	12989620.37	12412309.88
Vomifoliol		14017807.17	7780970.46	4811139.89	4218796	5882729.4	25801011.48	13558062.75	14444308.59	11157388.49	12379457.76	14800474.83	13369171.15	8716228.75	10978998.99	7960826.21	5743767.17	25668885.29	10318426.09
Shikimic Acid		9148503.52	18228816.4	2767354.52	15860932.64	23627768.24	4174035.1	4300326.71	20760704.12	5569499.15	18943369.73	20218640.41	18506735.25	16567414.9	21110735.08	18170200.62	18218593.48	28393906.31	24522645.36
Thiodiglycol		39619558.21	61721110.5	23812863.79	70507982.32	224137739.9	204524684	194652705.6	60243148.22	215679492.2	212294997.2	34232234.42	197031161.7	176300937.2	223368534.2	235885295.9	178385816.4	212284022	36911326.15
Agroclavine		8019281.27	9569357.75	5762126.62	24349389.88	44344019.65	8937374.61	7383259.99	10411915.11	3057648.3	32833308.45	29455802.75	26077013.47	14741618.15	11083642.86	11439368.19	29596990.79	34639291.13	28283418.19
Muricatocin B		722072901.5	424893218	165218310.7	117574772.5	183670221.6	72958893.48	301736679.5	179037091	131710394.6	128142411.8	108437943.1	126785134.8	481280229.4	114075213.9	297365508.2	124599038.2	156942967.3	21806800.35
Indecainide		2615446.77	2159897.89	1487782.38	3566883.5	5059902.31	3653072.73	4619908.27	546022.54	2328945.89	7397177.31	1369780.26	2929473.22	2099124.34	3046068.22	10924809.2	3238792.95	2664306.5	3442332.32
N-Phenylacetylphenylalanine		4424287.68	3221867.09	3449463.6	1762286.98	3395924.16	2467176.17	4924267.05	2724613.05	2593161.99	1822152.42	1316475.02	4417908.1	4652315.77	3767697.97	1753053.85	2213413.23	3279025.17	2610484.38
4-Pyridoxic acid		1001477.33	6257979.83	1173780.82	8633909.09	9161803.21	2157134.55	4669128.7	16168594.32	2028917.16	18989178.44	19627667.31	10495606.07	1904156.42	10787900.97	11841429.8	13229437.67	17769417.13	17558656.97
2-Amino-5-chlorophenol		9863143.08	8291617.23	10115306.12	9987749.12	8090491.93	8665995.53	9967732.86	3332103.07	2686670.17	7045392.25	893674.42	668941.18	8513630.8	6083164.07	8264250.35	7055825.03	3132635.96	4831256.41
3-Phenylpropyl isothiocyanate		3948209.26	12770425.51	16467087.77	16507796.08	10420140.67	5319278.91	8106857.61	18266938.09	5124805.46	9181990.77	14838854.33	8633544.97	6857931.16	3944346.17	4054127.14	7141272.65	8379726.25	7557273.41
1-Cyano-2-hydroxy-3-butene		7258254.22	4110895.46	4721718.13	2662987.51	4160118.15	2989092.59	3624955.67	2832498.44	3741945.17	4670330.29	4342739.64	2224621.57	4622426.99	4342654.72	4924875.07	5625582.54	3811325.59	4463550.67
Indolepyruvate		11584575.9	16191890.57	5973170.25	1430595.47	31308270.95	2407405.2	1380163.11	36786317.61	364143.83	11825032.62	2606698.92	1580256.36	30720683.93	16983081.09	65124121.28	12194062.81	28168954	40615717.11
O-ureido-D-serine		9742558.84	976198.45	14692778.31	1561207.52	972981.48	22245401.75	14366288.94	1556751.42	14315309.34	1285682.14	2186877.83	1497781.24	633484.2	80894.4	617442.75	2031223.51	655553.01	6859887.11
2-Propylthiophene		6470301.44	10100638.23	5139874.13	8929440.23	8796960.8	6872426.14	7462785.37	9744111.09	5586872.65	7212274.09	7296278.63	10381391.4	7532179.14	7278616.51	6940778.32	6305571.15	9598793.41	9917759.31
3,4-Dihydroxybenzylamine		9434677.6	13350253.49	5878132.31	7407166.62	8942539.01	2602104.98	3857159.07	14167631.88	7042748.56	9220364.41	9281352.93	8482099.49	25901668.62	29292383.9	36618485.95	11342298.61	14314987.25	10866718.73
5-Methylangelicin		25828051.5	15170313.36	15782455.86	1487090.2	13712832.64	17005033.7	17399275	1954242.45	12079236.43	12465531.52	12305167.14	13205284.17	7535377.63	2237877.93	5749333.74	11072431.48	10512684.57	14178214.32
2-Amino-3-cyclohexylpropan-1-ol		44405774.51	57867096.07	23093822.54	47692683.02	85795396.13	16907469.95	38606154.4	88976288.12	26637703.6	122687668.6	111595871.5	103859051.5	69137553.77	58717457.19	57616764.72	100267131.3	70408816.58	68676848.56
Sarmentosin epoxide		1916656.73	161819.63	1118708.09	263899.81	1009683.76	1275083.65	1071019.09	292689.72	1407582.09	792352.26	289198.91	183868.88	1480146.59	876961.64	978249.59	893581.07	1300788.63	475254.54
Hexamethylene bisacetamide		7849007.47	1345210.61	2249047.57	5918494.13	4537923.3	5739283.42	7909844.87	12250856.09	8412970.78	5747414.62	3986529.47	4864295.53	10324957.73	917964.48	7514069.8	706135.51	14358872.71	11830428.54
Tsugaric acid A 21-glucosyl ester		11021778.63	220893.35	158255.59	22721088.03	23726721.83	14264972.53	329066.97	6237360.3	8025298.76	24931958.21	17203087.11	20450421.46	7953161.72	5748673.12	2681240.47	17481400.19	21818872.4	526916476
2-Methoxy-5-nitroaniline		50506064.5	38582965.23	39140260.3	66481399.43	70555554.54	52920269.62	45859764.82	26344628.97	26931973.13	92779027.58	87286662.42	77212012.33	58010214.75	58530756.73	49701723.77	71546281.42	57738894.47	71314845.81
Diallyl disulfide		5496913.55	7125645.53	3159924.54	3638890.71	10475728.32	3496862.03	2054875.1	4699193.09	2779824.53	4528569.35	3889750.08	2603828.64	2566104.22	5262353.5	3207216.5	4964275.31	2847700.94	4606946.08
Citraconic Acid		1962545.85	2330091.15	2235799.29	1961099.88	3336452.4	2195099.04	3127809.86	5113840.82	1959097.57	2247486.66	2737567.31	2020461.93	3217937.86	2362484.56	2855809.72	2056157.15	2828192.75	2648379.64
Thioproperazine		19846571.48	21130267.46	28494841.95	20545296.62	27701017.02	45122170.23	28343606.92	21025710.95	12601111.24	28980741.71	27231303.04	26337797.58	19154211.87	19123357.81	21042611	25325458.93	19845415.31	16855963.35
Cholest-5-en-3beta-yl nonadecanoate		370266967.5	486909838	222515068.5	412332090.6	203853648.8	212822641	514563752.5	291460246.4	129321737.9	86263589.05	218790550.4	186380366.1	208076375.2	163393153.7	116943761.2	157106173.9	153688290.9	106016431.9
Tridihexethyl		937454.51	320923.37	83078.52	5055488.98	6137329.43	2114656.07	30593.52	220135.52	165323.26	3396112.23	3651281.17	2598581.82	37795.98	77685.21	151103.04	2692417.54	1675884.11	207964.58
2-Thiopheneacetonitrile		18282009.27	8892325.93	24492482.41	3156260.96	1632606.08	38131853.08	20453848.14	2084068.25	26315255.41	4791833.76	4003939.45	3957291.28	4665974.02	1005394.88	1372845.64	3682581.41	635251.27	812455.68
Deterrol stearate		178144023.2	105974734.6	37297075.37	182196356.7	359433645.8	83173721.05	61268222.55	51940593.07	31561849.66	239348314.9	170222593.6	164863396.4	101342477.9	31202548.48	77261144.94	216887067.3	369283353.9	10294620.72
1-nitrosonaphthalene		19170462.14	20737347.53	20278158.03	30165285.98	21204479.46	21551603.04	23079036.22	18009871.3	18747619.81	19645515.97	15937469.81	25810027.71	22407190.75	23586707.94	16662744.52	17612995.17	23862505.61	17074982.51
Sulforaphane		38497122.11	44367442.28	46093109.29	40937429.13	28589477.82	79800770.01	28673822.25	35635799.45	13902071.3	9545070.67	6795078.13	49902377.02	30451518.74	4446861.17	23516160.63	25757150.03	18343677.76	22536963.28
Aminoglutethimide		5049519.54	4714051.07	717530.75	398061.08	910242.05	1622740.77	9299678.15	635903.02	275752.5	11161086.85	11234369.43	10288322.3	1828846.11	172145.31	1377869.76	7633237.21	4175486.65	3049833.85
Leu-Ile		6557112.3	5687748.53	1761052.31	4893072.89	6525604.85	3863383.69	10722278.78	40888594.93	2687010.26	9850065.83	12707073.98	8870407.68	5986307	2194382.33	6647813.92	7068295.08	8769676.19	8123377.91
Polygodial		635828539.7	370280169.7	329795042.8	520627117.9	457473539.3	525046575.9	710093228	750670458.3	536167414	615969384.2	752911549	640327273.8	878796237.2	592481750.9	614039990.3	653591444.8	1443796023	817623276
Enantio-PAF C-16		36674243.57	38747501.34	23875309.81	33778494.69	45300988.13	32847752.56	30320305.95	63512442.46	25088269.96	51359324.41	59490086.94	43162852.27	59590538.19	520692268.2	116893587.2	54187646.27	49764089.32	56381571.05
(8R,9R,10R,13S,14R,17R)-13-ethyl-17-ethynyl-17-hydroxy-1,2,6,7,8,9,10,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-one		4643763.37	3270282.2	892829.55	337756.41	4353629.41	95229.08	188798.97	5484230.48	711748.69	1957367.29	694400.87	1084754.65	7677089.32	7572491.48	4523416.22	722947.87	6326982.15	5387279.61
PAz-PC		58543545.16	39222411.74	19560907.39	14658312.07	35832745.13	9207336.03	24227273.98	25637166.71	13308669.29	20283924.37	16428207.41	16442723.63	36330954.73	19002194.89	33882017.71	19164787.32	26169209.35	5917331.58
(1E,6R,11R,13R,14S,15S,19E,21E,23S,27R)-27-hydroxy-23-[(1S)-1-hydroxyethyl]-9,15-dimethylspiro[4,12,17,24-tetraoxapentacyclo[21.3.1.113,16.06,11.06,15]octacosa-1,9,19,21-tetraene-14,2'-oxirane]-3,18-dione		311165.04	261222.56	1341352.69	4379630.55	7860458.82	1804532.65	943820.51	1557470.13	719463.54	9332115.87	6334493.29	5788960.44	2067934.64	1324497.45	480573.35	9506830.49	20260436.68	14034472.3
psi-Pelletierine		9704999.87	9597166.01	15483152.97	12453765.8	14733504.55	7771230.82	15706795.58	8606475.5	13506101.92	4501005.8	14493477.83	5235110.21	20697543.56	14416190.07	8256397.33	16713916.94	8916913.24	17119139.65
TG(10:0/10:0/10:0)		929262.8	368168.55	199534.32	16628016.13	27998922.85	5164481.53	706072.93	38134.41	200480.96	20753813	16946058.27	15786562.88	1084896.8	27678.63	194714.61	21101396.46	11580232.6	310382.72
Heneicosanoic acid		4973427.79	5500151.46	4010675.76	125818080.3	199593996.9	47993638.39	6270601.78	1239464.64	3208271.04	142890019.1	119504461.3	109134080	5276268.37	2783391.39	8018608.81	143232693.4	157151789	42502186.45
3''-Chloro-3''-deoxytriphasiol		19667664.17	24849186.19	11638415.41	39880179.88	84603301.54	14564976.35	10657711.75	36942993.08	11260495.73	82741749.01	66073620.88	53448622.91	95336954.6	254762567.9	177213125	70388274.89	111149525.1	98029178.06
4-(5-Hydroxy-2-methyl-2-azabicyclo[2.2.2]octan-5-yl)-3-methylbutanoic acid		4052779.93	4102701.28	4083675.15	3745912.49	4767249.93	5862588.9	7058354.78	7743879.26	6801102.13	4442814.31	3818049.6	5018542.22	5532975.36	5181135.08	5491196.45	5144769.23	4410081.41	5480535.5
N-[(4E,8Z)-1,3-dihydroxyoctadeca-4,8-dien-2-yl]hexadecanamide 1-glucoside		61862452.62	6973479.38	9187605.78	6976616.07	146319903	366332046.1	74915296.91	1832053.01	5823563.37	60919427.14	232691250.5	221200027.1	188753796.5	1986653.98	5256950.11	4121738.12	115606843.3	129351189.2
[2-hydroxy-3-[(9Z,12Z)-octadeca-9,12-dienoyl]oxypropyl] 2-(trimethylazaniumyl)ethyl phosphate		60566015.2	73053251.15	44402434.77	81998624.73	122400372.9	72906680.76	62495568.53	152308004.6	52917956.68	159653621.8	187038036.8	168896724.4	89341912.02	793390563.7	127624724	166301672.7	157036493.3	158768431
Hexadecylamine		61089225.55	76657901.85	37980262.85	77440178.52	54971007.67	104674987	82304827.9	66376122.49	18965021.81	50910510.28	24199984.35	32486316.28	27119832.75	30405691.41	14999273.32	7940605.82	42350485.67	12833436.98
LPE(14:0/0:0)		12656752.14	15423458.93	8677677.12	6121278.14	8872266.27	5534495.13	14183741.79	18373875.04	9328474.02	9436058.69	11370283.3	10954880.67	11511086.54	35871535.69	16560606.92	5659721.37	9563234.62	10379888.71
Phosphocholine		217193985.1	208712182	220771084.7	390869255.7	219376395.7	240954709.5	253642057.5	194142452.6	222554657.2	162409531.1	260659625.2	200438668.8	187896159.3	185101904.6	266947162.5	194865219.6	123568812.6	181273442.4
TRIETHYL PHOSPHATE		34372436.32	25324282.45	27001993.52	23562395.74	19262000.58	19833871.29	38187414.25	28823224.22	23630809.81	20319291.3	24824502.11	20229203.23	70999490.91	26743005.88	27997735.05	33855957.84	20267332.39	33650216.38
Pentadecylamine		11912280.42	10199443.82	14694625.02	12790991.12	42857896.57	8545348.18	5764081.86	9576035.86	7743993.93	4281221.84	24927197.1	24945755.03	5433973.75	9080062.69	11117412.4	22989797.58	42010244.11	29312912.17
2-Phenylglycine		39011324.66	38929259.44	26666609.14	39119650.04	39151655.59	15538295.43	22003921.69	41519106.9	23317845.52	45093316.58	34685438.3	29511101.82	82129091.67	86091591.5	94808148.19	36286446.97	41102251.73	39343659.42
1-Naphthylamine		111904872.4	112161971.7	70661929.5	63941626.12	136300505	45685200.8	163675005.5	194915488.5	64212402.74	105388916.8	91768186.62	78196035.47	247622737.9	458123476.6	334769218.7	97824385.07	136224737	127719088.8
Tetraethylene glycol		71913578.42	80875671.97	68946178.35	106112026	139584840.3	74978581.69	67627542.08	102965745.8	54628678.95	113846332.8	131200513.4	93579738.93	78136455.61	97839315.99	76682021.15	114530303.4	118432033.8	55575887.88
2-Amino-2-methyl-1,3-propanediol		302051287.9	212284720.3	266972566.1	204357834.1	197745172.4	428618964.6	93835583.21	284584443.6	133108156.3	205735070.9	208381250.8	342220321.9	77749610.28	229648935.8	161971513	185691575.9	118478690.6	325335170.6
3-Guanidinopropionic acid		35370611.82	26584467.15	26691880.89	10760912.69	18299071.74	16844232.96	29218506.02	21450202.69	18734581.7	17993585.6	16045868.58	12280002.54	22754149.14	29632652.15	25240326.27	18253608.32	4810941	14330555.46
Dimethylurea		148717248	158840099.1	75125820.08	196185495.9	186623499.4	329015416.4	262393809.4	205382014	67234801.61	256245184.2	203850382.8	222825401.9	26600187.47	30953006.06	91400304.95	120514725.7	1655683.26	219686282.9
Ethisterone		14160424.11	15126172.64	15769748.24	13023163.36	14605531.16	15132767.4	14928437.33	13983155.42	9833813.62	16279448.89	14438466.76	16400708.99	11191000.89	15472962.65	13247579.55	12377854.31	14163796.01	9520281.05
P-Toluenesulfonamide		17128632.17	15004752.22	19110198.44	25892073.22	18102321.29	19424642.57	22973919.71	22267378.87	12969181.25	20460290.12	14832165.71	21097157.64	77791278.66	25891566.95	23908181.55	24456364.4	26262013.58	25680395.53
2,3-Dimethylmaleic anhydride		1248505143	1271091726	1203729923	1200320399	135792714.6	1118339667	1052962010	958255394.4	932643629.4	891456524	877161569.7	843356728.6	863778730.9	709220509.9	899249162.9	815374075.8	824081289.8	763605586.2
p-Synephrine		193795531.6	179787478.7	210154475	201907895.5	228233062.9	288314877.7	199737272	241847986.5	208640976.4	165903570.4	181543757.6	209941574.9	180807389.8	170103866.1	178500605	204010772.7	161721135	164832816.4
1-(9Z-octadecenoyl)-sn-glycero-3-phospho-(1'-sn-glycerol)		2727760.31	5578966.26	9544767.17	3682824.35	4364433.71	1178639.98	11768686.29	4827354.33	3786373.64	7115176.35	5333862.01	14213542.9	5807789.38	3356016.01	1691763.8	7823737.85	6222133.23	6301431.76
Glycerol Tributyrate		5609404.24	15306708.43	16116902.37	12345702.19	34133099.73	17415811.29	11469814.29	15322852.75	18294041.57	31128558.39	20394050.55	13266110.12	18498765.79	12851849.22	6894787.51	25923066.16	28317316.31	21579095.46
7-Nitroindazole		164393417.6	80768809.65	105880294.1	49121900.53	57625819.93	43803000.37	81123724.24	106012013.9	55356400.52	58147462.08	54710688.4	60390934.42	51890873.91	60485772.16	53509696.63	53490732.42	43466469.71	79311320.55
5,6-Dihydroxyindole-2-carboxylic acid		36900623.55	31384140.8	24353472.61	13411644.03	33891018.49	12841205.1	22288070.67	101732092.1	19232796.99	44263092.24	38205138.96	36893854.99	63154616.22	772886688	116599391.1	42657558.68	73640146.15	52711394.65
5-fluoroindole-2-carboxylic acid		19830437.51	24013940.84	26140431.22	33792225.94	24933232.83	74847191.23	7620492.5	8620236.35	21869864.57	65991795.89	21615219.99	31693114.74	20095284.31	21300728.9	13899131.95	40753931.48	44859172.17	9087326.23
Ureidosuccinic acid		29301845.65	35391494.55	18738536.13	16754385.66	25794618.16	2460577.96	29293130.7	38857636.29	21836285.24	26730388.08	28153151.66	25249836.1	43713317.86	44840932.06	40739177.81	26993912.44	24743654.76	20039682.36
Tyrphostin 23		19810212.03	65749430.59	16721230.52	18992654.49	31785134.81	24233067.2	13830851.74	33491204.74	26556594.93	110643922.6	69213692.05	48516975.57	18141678.64	50470068.37	21514438.89	22468522.77	13017898.31	24782491.35
D-Kynurenine		660345096	594653404.8	704494247.5	125814937.4	617568765.3	746411132.7	648881367.6	568691798.6	737300148.4	580530739	615369354.8	643498408.8	650446327.3	665297412.6	610084445.1	621459679.5	542878484.4	566542391.8
Tyr-Cys		20428265.05	16257146.1	5604589	8846139.95	37458613.51	6507253.89	11009954.59	64375726.13	6792256.15	36914857.71	32117469.88	28691016.55	44101817.5	34814743.55	39335468.95	43777290.68	89183855.5	61963549.76
Alanylarginine		4913669993	4608066677	5250338315	4989364777	4783306986	5454550757	5030326148	5481657952	5475097499	5214981577	4505534475	4690194311	5996611056	4210797428	4437706006	4741529094	4184081712	4366448384
4-Amino-5-hydroxymethyl-2-methylpyrimidine		5654089.61	9418047.58	1732633.31	32540345.89	48467501.32	19599804.12	3331914.89	2354598.23	8148374.81	58563762.58	44970612.01	2777643.36	60603840.91	65076872.75	71865793.34	63777134.84	47616999.67	37948348.92
4-Nitrocatechol		423101514.7	420092127.5	443494326.2	429220358.8	424586066.1	494202743.2	418409194.1	387572512.7	495250921.1	464534418.4	382132884.1	395023429.8	432595321.8	395218928.1	457954645.8	390242246.5	368740472.7	371336045.3
Carbazole		75125370.75	74265377.22	69550205.54	98053382.11	109272652	42065393.74	55249205.84	75060670.73	48347332.2	63856000.57	59726560.92	90881819.92	115449561.4	62562841.18	73420437.13	57000184.21	76149780.27	85269374.81
(R)-Sulcatol		70450624.8	46934568.73	35286997.14	62054178.01	56161417.68	34519194.03	39591180.04	51515526.56	10104803.39	43644521.33	40521363.36	34330683.16	69568204.25	40330931.24	55290217.44	35845895.65	39899499.49	55611167.36
4-Chloroaniline		64826567.33	15284391.19	16975178.59	23324569.02	144571333.3	65290136.37	127120101.8	67428220.16	131572774.6	22933780.35	130715259.3	126949202.6	24289247.49	119323868.5	118981867.2	73777487.23	113318628	24081866.45
2-(N-Morpholino)ethanesulfonic acid		5520564.89	6773332.23	7044448.86	5165890.81	4550532.7	5989357.23	10618949.83	6839569.54	13359674.33	20094396.24	7264000.08	5867085.5	10536285.86	4495798.96	5112985.35	20340459.07	15239914	6799480.83
Isovanillic acid		53015430.25	46077959.31	32063592.77	90348746.73	88996222.41	85535202.17	50930208.8	61390917.34	40848116.66	139832160.3	135086032	122395575.9	75567997.22	108252229.5	69982575.72	98518184.43	117346440	87902477.73
Trp-His		5298620.79	6242241.29	1545542.9	4621952.5	18085449.37	6091026.78	6572947.84	8282013.41	3488245.38	11666358.53	7343507.96	9616174.32	11317390.55	9864655.7	15339095.09	13933275.2	15419319.76	12611802.36
2H-Pyran-2-one, tetrahydro-4-hydroxy-4-methyl-, (R)-		42367901.21	20275593.04	54910952.02	12849234.17	5407147.38	75647501.9	48911657.77	4131513.97	56305093.73	12367175.92	26518605.28	8742687.83	10256428.25	5163831.79	4598035.5	9559491.48	1701393.36	3259821.05
Caffeine		1234400828	520168818.1	437174523.1	635334358.6	448042460.4	881583031.3	1308113820	850769552.3	680716085.9	489403018.7	1147304678	1185209943	473488158.4	704521561.8	575204465.2	437031395.1	1299456223	1165617937
Isonicotinamide		127953357.8	122923888.1	98120939.96	106443756	142555271.5	78086219.36	101709046.5	131230642.7	84718021.56	203771166.7	79051874.38	108009672.7	182327738.1	246823046.9	261542929.8	99601047.61	106498229.8	101488355.9
1-Oleoyl-2-palmitoyl-sn-glycero-3-phosphocholine		70893170.39	48977253.67	19901179.78	22490667.52	17093058.06	37819825.99	26430337.06	12233569.31	23862410.98	17347882.03	8650973.05	23541495.85	22677366.24	11085361.9	52314968.68	18255275.1	20706767.56	13871137.83
2-Aminopropiophenone		53490219.03	56045555.93	35412966.58	34877975.61	70170194.38	24856684.82	35741212.07	72725631.36	30057281.64	65306135.78	43940191.2	38785870.58	139437717.3	191651437.4	175463242.3	51462685.41	72356359.7	67835168.89
1-Stearoyl-2-myristoyl-sn-glycero-3-phosphocholine		32800902.35	36497507.16	48887731.18	48953757.48	30281732.53	55763755.01	57453978.35	63655386.02	38578446.64	51288233.87	52286511.57	30247943.36	55105352.66	36311388.35	33098756.04	47416628.15	62044777.66	77685089.96
1-Palmitoyl-2-docosahexaenoyl-sn-glycero-3-phosphocholine		43670088	44691229.75	43846710.67	36870003.5	17484667.05	27657285.42	24212838.2	35547905.9	20899461.07	26954545.63	31432666.65	24032142.1	39232950.28	25633458.15	26943845.77	34359446.58	33722244.44	42953123.41
Myristoylcarnitine		39887778.77	47553621.46	24886920.74	74653006.6	88119070.99	12420118.35	25211129.56	54811933.6	9694943.7	52929290.15	41475352.54	40019350.81	82054007.16	79773972.15	60818686.17	48004230.19	88616208.7	64404323.71
1-Deoxyvaleric-acid		43066075.77	37064902.24	27926431.66	44074723.04	43405333.89	24068358.47	36056755.16	40292823.47	26014351.51	34564149.92	34496257.48	41100617.09	52244428.01	34624468.74	44706669.31	35475443.71	46406284.52	51952057.87
alpha-Ionone		26559053.51	25531000.51	24054190.34	20554745.84	20651841.17	20306694	35709290.07	21943499.61	25869213.64	32896472.06	25086783.18	19158991.73	25541441.17	14901706.88	21017390.46	19723570.99	20115168.08	17598260.13
Dioctyl phthalate		106565847.8	83506355.76	28520438.86	84959307.92	73056727.55	49387502.42	62696088.46	92743817.67	38224885.73	74421947.21	57339006.8	87068212.78	81601200.95	41232268.39	45232645.36	61997871.83	150814853.4	162582159.3
Diaveridine		62375696.25	77160325.78	39970073.65	164870791.1	461772329.4	54603131.63	49130596.19	137548306.9	36523178.93	251819203.5	201953393.8	183514959.9	111515676.5	76958762.58	90284552.93	213222549.5	352119584.4	272042562.6
N-(2-hydroxyethyl)icosanamide		28390595.52	15283566.48	20290771.45	14136329.93	15787664.79	23967556.36	18014036.44	19520475.29	14396084.04	15946139.66	16341481.33	10258657.6	13972857.45	6400262.6	24417520.38	14149099.28	14754448.61	16303358.28
1,3-Dicyclohexylurea		10541979.54	9122431.01	8415783.29	225274192	282946996.1	71410868.38	10926116.96	10725845.03	7734942.79	227895417.8	176169061.9	162323658.2	8522444.66	2262752.53	7154207.54	195630592.6	226941049.5	361488942.1
LPC(0:0/22:5)		18594343.88	34320444.47	30531923.54	46247156.24	62142571.14	62887163.65	27556257.13	47461929.43	20783106.94	30915898.95	44285350.05	80064712.73	22958553.52	62918767.42	40905617.57	58813556.04	64899140.25	50948600.43
Dimethyl phthalate		10363684.86	2814841.54	9356992.24	17762624.82	15527316.1	8941935.66	8629311.91	13001060.67	16826333.73	20491422.04	22587317.02	13464439.56	11607247.79	4785863.18	10812332.45	16230001.83	10510948.92	21513265.08
2-[(4-{2-[(4-Cyclohexylbutyl)(cyclohexylcarbamoyl)amino]ethyl}phenyl)sulfanyl]-2-methylpropanoic acid		5857806.52	3539803.07	2041972.1	17676746.01	24982441.24	7692893.98	3245212.69	6407280.42	3317815.19	18853632.62	12704826.39	12580742.87	3420701.51	4331244.82	3967322.66	12820997.81	14611957.08	8930980.01
Spermidic acid		19884162.77	12387743.11	23249625.54	20333093.49	16468001.92	22986198.38	22768296.74	14111802.28	22914512.73	16703019.77	17143353.35	17154606.07	18028788.55	17118600.58	16636491.82	19500850.9	16611127.4	9896846.27
3-Methylmethcathinone		59468339.36	46401116.69	41961211.43	59144124.34	58158378.39	35670627.07	64345707	68157750.01	42938723.76	43419052.57	52468101.22	69524347.52	54679458.82	60071139.33	44834744.68	48005918.18	70860532.31	87055416.83
Dazomet		57429728.94	50683900.04	30064850.86	44253409.52	55091847.7	46680766.65	55926381.66	30760824.61	65228840.24	59191037.74	23846636.86	58405241.04	177605168.4	50220850.73	32137382.04	41904364.09	32299357.1	42093021.5
PC(P-18:0/20:4(5Z,8Z,11Z,14Z))		147989049.4	193610882	199537431.3	179674616.9	170379561.9	160621823.7	163768213.4	145124050.4	128595899.1	119795301.1	153471093.8	160675321.4	182701900.8	154042023.7	138835905	140815823.8	137224357.8	169347445.4
Histidinol		3155425.68	258514.92	8801181.66	3651671.03	4393438.74	4943601.36	21674215.37	10326368.27	2967595.05	1906536.17	6153991.69	1137625.97	325174.78	4107620.35	74502583.99	374676.02	71978169.94	2876060.25
1-(1Z-octadecenyl)-2-(4Z,7Z,10Z,13Z,16Z,19Z-docosahexaenoyl)-sn-glycero-3-phosphocholine		3696220.04	1550262.23	747005.05	182877.87	760649.23	55713.18	1163873.39	510143.19	269410.16	296319.73	98244.13	230041.44	2118748.93	324553.73	1509815.81	355633.26	361461.7	248326.32
5,5-Dimethyl-1-pyrroline N-oxide		16349071	18382036.04	1416923.35	26998004.8	29686672.75	50623635.2	6637929.56	14668025.75	15272389.52	18884518.68	17002863.76	18869386.32	20651065.02	26265469.12	24609647.84	25051899.11	26301026.11	23980238.83
Nipecotic acid		7930548.68	9533370.57	4264733.78	21044272.33	21004200.19	19732328.53	4343969.88	2300446.26	726088.08	22864448.78	14808981.78	25662041.02	3813246.7	2100694.31	872248.53	13798833.26	12402329.75	9832863.27
Diisooctyl phthalate		34027478.18	45744738.64	14313873.44	41935491.98	65226106.86	37275677.17	32688407.13	43325341.68	30721316.86	40802094.13	48091182.67	82450637.94	57707759.73	33544743.03	44696470.61	47864552.88	106642367.3	100677650.4
1-hexadecyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphoethanolamine		596779.62	40298.11	29817.29	11124166.92	27074023.54	12307112.67	267955.24	120516.77	25441.41	11823619.71	13894444.02	11679764.4	483005.98	18735.71	110730.44	28368840.58	24708062.13	119222.53
Palmitoylcarnitine		62380778.21	7768661.48	33085308.75	31581011.45	33201373.43	9002423.33	4861245.38	18672459.16	35525109.58	37843697.55	35024041.25	22061330.8	35907189.74	69511592.66	58490005.43	60288526.34	65735362.47	96282002.14
D-Camphor		13909298.16	5092495.69	22508210.03	7756011.31	12349300.46	18818110.01	13274483.44	14918794.36	13192458.05	19221064.01	11113922.18	13685675.74	12475181.59	21237432.65	13126269.01	20750230.33	20938997.52	23626737.69
1-(Ammoniomethyl)cycloheaxaneacetate		57512037.37	13286679.04	22497056.97	6769332.88	470628.68	10435987.48	1128425.44	6050351.14	1727720.39	7691225.32	14870260.03	617774.12	9588853.9	101202510.7	3303791.79	8334884.72	4235827.37	2106406.33
VERBENONE		21812129.8	20246928.5	15129640.67	17909855.5	22030766.35	6699049.85	21528116.73	29954161.95	13466184.33	12335615.56	12334929.28	25423711.55	23505773.99	21157427.48	20768221.97	10393417.61	27439133.35	34521223.66
1-O-Hexadecyl-2-arachidonoyl-sn-glycero-3-phosphocholine		379906717.1	776189337.1	1168028218	1080311083	969611653.9	746263014.5	617136307.7	712199027.6	686276755.1	432583468.9	435514247.7	1255738384	841397392.1	450713077.5	727559760	675655690	350086035.5	1503488875
(2S,4S)-1-Acetoxy-16-heptadecene-2,4-diol		7750703.03	11154441.36	8548465.74	3074180.7	4198987.12	2412595.13	6160357.71	14942550.33	6082875.01	5847287.09	8220053.66	5805232.75	5397954.27	38548698.73	14417772.41	9346611.74	9004790.99	4763245.19
Bisphenol A		249750441.1	194000938.5	107286604.7	123576335.6	315793477.7	60324577.84	84196830.64	269321656.8	73261881.64	190831389.6	161179817.4	193506950.2	414632065	493261585.6	452847888.9	204907529.8	466911578.8	207270667.1
Aminoguanidine		6441269.78	160095360.7	1802965.59	15255561.1	2439984.79	11371678.05	627031.54	269459.66	19581390.67	19739577.59	16376664.4	13612703.04	14433122.46	642503.26	6326504.89	7038623.13	9978799.2	8128569.35
N-Desmethyl tapentadol		27395898.52	30923190.17	19221050.92	1070886.03	3669328.96	470369.42	26377013.81	52916819.72	23090051.19	2432902.01	609632.54	2545170.55	51237602.49	64660971.35	77977311.59	2530909.28	3086908.28	3669352.44
1-Naphthalenyl[4-(pentyloxy)-1-naphthalenyl]methanone		2983142.59	1334671.6	260900.63	1391702.35	2570620.48	970901.37	675769	1101045.21	640502.82	2391378.06	1621504.05	1793326.68	9704238.43	2064945.73	5542610.32	2561856.9	1942321.54	1900702.99
2,2,4-Trimethyl-1,3-pentanediol diisobutyrate		36240970.24	29605251.96	17109496.28	26170555.79	27451998.62	7683898.76	16644451.78	29540077.19	13778359.3	16335285.3	11408792.91	33114498.57	39763707.82	22476195.91	26066121.2	16627002.56	33454956.92	33054863.85
Hexazinone		24303869.37	16583500.16	12287894.27	7989483.42	18533854.58	16184476.63	20453770.75	28876977.01	13797049.86	19191334.14	22542674.87	23709227.57	23097963.39	21004008.21	18694151.57	20596682.05	35688934.83	17347287
Aspartylcysteine		73827747.76	64628744.05	75681725.18	85389916.78	64147120.13	81789350.26	72443045.32	58282150.08	86504091.71	66085898.8	61477881.14	77551292.33	48976186.21	38768481.44	38590260.94	68790301.47	48422712.98	55825210.93
1,2-Dimyristoleoyl-sn-glycero-3-phosphocholine		160648.37	1509893.75	364829.42	7989177.16	37186872.64	7653091.33	81981.96	59661.8	319839.97	10950769.84	10084484.83	15185287.16	197516.85	310545.77	53294.25	14013726.94	19682131.9	1199324.51
1,2-Dierucoyl-sn-glycero-3-phosphocholine		26475702.5	10781424.08	3923420.67	628987.71	2192727.98	478639.55	6016148.44	3819247.09	2304681.29	1166250.6	646070.2	937373.71	9165484.61	1941993.27	6059927.87	845619.25	1117443.5	681567.47
4-Hydroperoxy-2-nonenal		43837657.28	22843103.77	21441607.68	34369481.36	26833265.37	33303705.29	46031544.25	49372936	36722071.86	38615419.31	50661029.37	42096231.26	61954699.05	38905434.02	40127490.73	43963791.62	87204963.76	49446995.2
Dihydrorhodamine 123		10045003.68	4707663.9	1647826.28	3163288.18	1677614.24	40519739.51	11847059.36	15508354.64	6685150.59	12553775.59	15592992.86	2902666.19	1744423.07	7280470.16	6826641.38	3041620.03	32458158	8112856.47
Osthole		6896095.13	12160714.61	5866962.03	10098307.62	12545142.17	2346828.37	9994925.68	15874758.03	6967021.57	11424220.54	10175986.21	10902090.43	9248966.64	7714065.28	3801433.09	9604997.32	16430108.07	17721421.17
(R)-3-hydroxybutyrylcarnitine		22754807.96	23482327.75	8012260.43	19108890.78	12231624.28	14276668.28	7386184.08	5087862.59	2405650.83	36523897.02	96186938.99	38970213.52	6945464.29	3570947.28	432069.88	45039429.55	10407252.2	5675056.12
Vitamin E		20515874.83	15206090.05	3944324.55	9719131.72	3932283.88	4850894.61	9456837.37	11972661.63	4112732.44	3360957.15	6555844.66	3240829.99	4177941.37	6064764.88	8638402.39	6093511.64	6966022.15	9683880.06
(1R,4R,5R)-2-methyl-5-[(2S)-6-methylhept-5-en-2-yl]cyclohex-2-ene-1,4-diol		46262137.3	42715782.04	45478982.47	35170971.24	32650183.12	32928924.24	66149716.78	40335554.71	72464751.05	38201765.63	36821124.03	32910587.7	42891053.59	23110395.18	36971865.75	37373557.03	28671229.72	22944526.23
Fenethylline		4751489.99	793896.4	4302208.13	2697998.84	4033691.63	3535681.31	3415601.94	1292223.39	3381237.38	5899022.48	3739928.48	6601424.62	13425391.75	3528709.82	3371662.56	3742151.84	7702339.18	10755386.73
Flubendazole		535443.01	924719.09	700265.43	1668278.6	2003410.25	353121.52	1135605.63	631332.97	1450836.88	502288.58	1068156.91	1492509.21	2937628.27	2213106.96	2093940.82	771617.01	1931312.42	3417959.72
2-Ethylhexyl diphenyl phosphate		3861725.52	6618452.71	2131346.42	260549.06	4969336.23	289592.83	3141684.84	8149221.52	2758761.94	5949698.59	7593411.67	6804701.18	6402266.12	15493201.32	20060033.65	8947330.52	4068683.31	2477970.72
Sdccgsbi-0051046.P002		17370166.25	9104273.17	9847676.76	4671055.88	25432346.03	2193761.29	8372558.07	9542031.75	2447749.34	20419098.61	15981099.75	4116995.19	60489719.84	28725492.17	32426688.37	20584047.17	29341605.22	51645544.66
Cetaben		43200842.09	44302208.45	31147755.54	54661153.81	32752985.57	53143477.46	42467820.21	40677322.71	48126052.6	42244282.17	40754607.75	42549804.77	43272670.21	20890681.26	38090331.46	44936205.64	122950694.9	43378120.3
Dropropizine		10406714.33	11565787.73	23422241.83	11455540.79	12895644.6	11173547.2	33795397.13	32236038.71	12554930.12	11058914.58	12558560.31	36397572.51	31873455.17	27700788.72	24023050.91	10467217.69	27713568.93	622363.77
1,2-Docosahexanoyl-sn-glycero-3-phosphocholine		4968608.58	2723775.86	3287561.11	4516662.13	3531473.64	6678102.58	2099340.08	4399220.98	1707557.89	2059744.29	3394315.08	3830761.31	4475606.27	3137967.92	3144999.26	2854806.32	5589933.97	7553781.91
Etilamfetamine		73914392.87	19688734.3	20523936.65	23865746.64	69374553.8	71378165.9	36865755.67	19059718.57	13603428.91	3589708.95	28028188.83	29407695.56	20977531.3	18957490.17	19251482.53	12513434.09	17130590.65	13813283.35
2-Amino-6-methoxypurine		55973162.33	135829904.4	61415163.99	35078343.19	181003907.4	112256757.2	40368485.55	98587473.08	45639184.75	97570629.08	48714878.32	136129225.5	220112549.1	78887475.8	93204791.46	71758255.98	76307018.37	62342963.09
1-(1Z-octadecenyl)-2-(9Z-octadecenoyl)-sn-glycero-3-phosphocholine		132423174.4	36218918.26	19559797.43	28938122.47	44436030.75	96430707.52	31323685.81	21257982.44	18038595.68	37740358.99	43558525.71	75967229.35	43935488.33	17975791.17	24859960.65	31653042.25	71202792.06	92115730.76
Nantenine		2915378.18	1257194.83	803552.42	834405.21	2568200.09	991381.26	205352.35	4530119.26	2095170.67	181037.08	2989431.7	2420436.15	3925237.31	1324875.55	1454790.83	2740091.7	3238733.72	3010135.59
Oxyphenonium		165368166.1	166001436.7	159960746.3	193229509.5	160688831.9	143321840.8	150118051.7	148078332.1	149431913.9	223604227.2	186892273.7	165345502.8	156423076.8	130633238	166177557.7	155323640.9	222437518.3	152133268.3
Citromitin		20155712.37	14631238.51	9475845.79	2047853.26	902199.42	2926445.03	11988462.65	13323996.8	1497445.25	3887436.99	4013308.4	1867096.36	12669421.93	10275876.88	9258280.98	3685274.71	3448131.37	10325310.71
Syringaldehyde		17192177.52	4766356.36	15964890.51	6920647.39	13804658.27	10192843.9	36105488.05	10480946.19	19824192.92	13154234.48	8241517.81	5212868.9	10618903.43	8938893.18	11418043.41	6350059.71	8254821.85	8875282.69
Pro-Thr		2428120.68	2985031.92	2077614.4	323679.93	2999959.06	988300.45	1793060.18	4384949.89	5474936.66	3977602.83	3902208	4717071.49	18473179.62	5735979.99	4976913.52	932791.42	5022213.8	3714544.32
1,2-Dimyristoyl-sn-glycero-3-phospho-l-serine		32568883.98	21296872.29	10278946.12	19007945.03	37017385.39	11399659.27	14833472.51	15057096.94	8060819.87	19963636.96	16098970.26	17694641.22	21603738.61	10883632.78	19155727	20218721.87	31004374.13	4094691.06
Nicotine		43737934.73	92282903.65	43420717.67	167500760.5	66553718.89	26567105.99	50854946.11	64063561.62	119793277.1	64060949.17	97170264.8	132196088.2	82883322.07	81492227.01	74020662.26	159407035	75487409.78	87396879.83
Fluphenazine sulfoxide		72501650.9	44031609.89	40576297.98	41804613.35	75493558.46	39184944.84	35694359.33	46522312.38	58327994.29	40163318.15	49675435.22	35692209.65	56613409.73	34948127.09	62447265.96	35784244.92	61763217.94	44499002.94
2-Aminoindan		5909790.97	5803641.17	3023933.11	38720024.77	31566200.39	31147014.21	6798190.7	5855647.27	5000066.66	31198440.43	30269418.99	40933982.97	8459786.19	2390391.03	4636317.16	23265425.66	31411401.74	3391351.59
1,2-Dipentadecanoyl-sn-glycero-3-phosphocholine		34605152.9	16413378.69	5210563.59	3024334.6	12943132.45	1979907.71	9119428.57	4972064.97	4057753.54	3200631.17	2595542.85	3618708.76	14544301.71	3295762.68	9016655.9	2509183.86	3920663.45	1714417.1
Buprofezin		209866643.4	208012462.2	74509321.54	126010467	338986194.4	103695399.4	186690848.9	65678810.88	72006541.04	366928233.9	407331882.3	355806661.9	140784364	35887966.23	90174829.25	280439115.5	316943776.9	256592251.6
4-Chlorophenylbiguanide		12863611.64	24970115.13	3660645.59	15324924.7	33099103.02	1394707.34	13809264.19	33817194.36	10270390.47	27704308.1	30374846.39	27564122.38	47963674.47	57876516.16	82372077.09	31405699.06	30368245.44	26696146.38
1-Stearoyl-2-docosahexanoyl-sn-glycero-3-phosphocholine		83301212.91	43251559.53	14246188.18	4949383.62	11578238.12	2007751.51	20370096.48	15379879.77	10131200.2	5510054.25	3714242.6	5560818.08	34627723.12	8231889.5	24886887.18	5791101.43	8819333.56	802281.66
PE-NMe2(16:0/16:0)		17756006.96	9810642.49	3743922.47	2783092.01	5148079.03	1800497.12	4453975.25	3601640.72	1692959.13	2914028.07	2762220.72	2655908.48	8368484.71	2115149.13	5053157.88	2834107.46	4769019.05	1376215.38
PC(20:5(5Z,8Z,11Z,14Z,17Z)/20:5(5Z,8Z,11Z,14Z,17Z))		18393955.8	13381775.19	5159481.86	2842679.09	6763886.38	1626172.48	8595427.52	7170598.29	4090955.54	4371436.68	3312147.36	3294489.35	13588246.68	5449515.58	10015742.86	3604299.38	4977545.25	2645859.54
1-Myristoyl-2-palmitoyl-sn-glycero-3-phosphocholine		489254228.8	249491616.8	72761655.42	45185815.32	87548238.78	28271899.88	113352413.7	80952267.82	59706471.7	53261826.55	42124906.44	48840568.7	192074853.5	47744258.46	134492251.5	42077402.12	65842499.64	21434236.68
3'-Hydroxy Repaglinide(Mixture of Diastereomers)		15663433.73	11150757.32	3564893.87	2400719.6	582247.26	3359790.26	4603981.82	5947925.77	4871467.01	1121893.59	1506779.57	1069606.7	3286781.6	8771578.49	1690805.73	1327195.86	554859.6	1848659.89
PE-NMe(18:1(9Z)/18:1(9Z))		97506692.23	85188073.24	85128869.39	81199829.74	32265420.63	62408813.18	69349333.62	91674376.02	39830154.64	59862552.13	56071071.4	39401292.37	75248422.71	43590207.2	38562722.06	56537466.44	63500436.72	90901146.68
Sulindac sulfide		292741.65	681267.24	225116.47	177937.71	1770483.48	500048	1371050.8	2031078.32	1287755.59	665991.56	1456294.17	305174.78	6685728.08	11283384.04	403932.29	1275855.53	2777697.55	3178312.16
Hexetidine		3675350.62	3037474.32	809638.98	9165104.69	4940785.44	1560035.96	2072045.9	3786588.19	1521674.58	5382678.41	4396507.38	4754729.17	8702634.18	4478263.86	1204579.08	5810833.3	4377135.26	15062040.41
TRIMETAZIDINE		27443435.76	16312231.4	6799152.77	706842.46	6139269.41	3776903.9	6967114.45	12998639.04	5372465.88	6907932.89	821910.22	6502368.94	22719350.18	7687657.92	14064687.92	3669031.62	7113235.74	13876829.54
2-Hydroxydesipramine		194955384.3	132302142.1	21364359.68	93759598.76	14670331.5	191094308.6	27534161.62	3616368.47	9821582.15	24719052.72	77874712.54	279042231.1	32883344.57	493376.26	221319.28	53771089.63	8668255.31	2712677.66
Xylazine		41709531.38	19662760.69	5434540.59	8802543.99	11094397.94	3993094.82	10335721.94	23473270.03	3178439.12	4071928.59	5135071.11	15222830.87	17958460.01	9449845.32	15777582.92	6663142.47	11621873.6	31416284.19
1-octadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphoserine		7945542.72	5179156.13	2292770.08	868770.46	2489294.75	346890.92	3000591.08	2679572.74	1485520.28	1477091.37	910276.36	994231.58	5353743.5	1970752.64	4254798.73	1188712.92	1430252.19	844211.4
Gabexate		1892415.96	2662880.14	953046.93	884262.68	2872029.63	116049.15	1100691.21	3264499.68	1348498.41	2037949.1	1219646.96	1317148.6	13449063.95	17320045.76	20974774.03	2226758.41	3464554.21	2790814.39
alphaS-Amino-2-[[4S-amino-4-carboxybutyl]amino]-4H-imidazo[4,5-b]pyridine-4-hexanoic acid		18337737.86	2832856.62	1548664.14	391897.78	8497353.95	3651949.66	7983843.29	323008.66	5596369.96	5844803.71	42938115.64	8817550.28	357418.45	3637640.04	1331321.75	2099349.74	9112208.44	445858.03
2-Hydroxyibuprofen		193098131.8	111039385.3	108339908.2	79403280.15	67741335.64	145012499.3	159026607.9	204057906.5	139102049.5	82555979.34	119887335.9	160885243.3	121790763.6	135236504.7	112800517.3	54803078.73	297763101.5	121060025.4
N-(3-(Aminomethyl)benzyl)acetamidine		17328511.29	17666426.8	13014751.33	11132504.47	11260277.72	6038502.3	12021522.34	17878961.29	11895520.05	7652412.69	7560468.68	16256456.71	17594330.94	17462486.99	14000281.28	7473308.73	15220050.67	19631545.92
1-Tetracosanoyl-sn-glycero-3-phosphocholine		1637904024	1205470247	705921669.2	121250745.3	198435994.6	134950526.5	984689399.3	573052203.6	561974612.2	190156044.7	127266602.7	165355208.8	1195130087	567452855.2	993592475.8	133472556.3	154785607.8	93708396.24
Clopidol		435373090.2	420008748	318964874.6	335689948.3	315293239	279321250.6	270342689.2	72872033.15	250740592.2	207107215.5	222837458.7	71691327.31	45226319.31	98285463.78	55713588.95	47111760.91	42960053.21	55089220.51
4-Oxo-2-nonenal		49143510.29	22562734.44	31607413.05	369814.34	248093.71	6673348.28	11088306.09	69149362.96	12057820.38	12613551.77	7609422.14	9329576.95	51264120.67	34525539.51	42230094.7	2595262.16	2717906.11	2108462.51
Tyr-Phe		16905268.18	2430568.82	4571096.08	21921665.97	10846476.64	6252868.78	2629919.47	13713978.61	4842554.96	19048957.86	8359353.46	8403766.23	6527127.73	7439451.2	4764690.86	35749925.79	27280823.59	24246127.14
Talwin		2605583.72	1592651.35	545181.73	48045489.3	70820928.35	12911228.25	468444.36	2096175.75	1153588.86	48476555.43	34374823.92	33311976.88	1336077.59	829087.89	1005279.19	32512323.74	36270716.67	1552719.27
5-(1,1-Dimethylheptyl)-2-[5-hydroxy-2-(3-hydroxypropyl)cyclohexyl]phenol		3348490679	3240239700	3229901394	3254705047	3278520389	3304777926	3326346134	3173938028	3375914716	3182149089	3187445280	3055913018	3233589594	3131144839	3024457375	3123156268	2964377623	3019111537
1,1,6-Trimethyltetralin		1829316.63	1348041.35	2124870.86	2172398.48	1827239.52	2734846.55	3862899.64	3772650.44	2308397.68	1515746.66	1014853.54	3627424.47	2485548.08	1261989.57	2162445.99	1554444.32	2223564.73	924079.53
1-hexadecanoyl-2-(4Z,7Z,10Z,13Z,16Z,19Z-docosahexaenoyl)-sn-glycero-3-phosphoethanolamine		9572058.99	15168397.07	11712668.52	10630353.47	4637087.41	34207073.04	6439072.72	7923256.9	9849299.09	641548.54	9514082.42	7319278.76	6570638.85	2624032.29	1265796.21	6119005.75	8074357.99	4034731.38
Disopyramide		7838268.69	8638127.09	1963853.68	3060773.33	5415678.8	1214271.45	2438771.04	425555.25	926143.32	8536073.33	11005278.35	9013796.02	704180.54	6784024.08	706363.77	10142686.57	3092441.72	1518471.52
Arachidonoyl PAF C-16		177278438.6	79783691.95	23934305.32	11124867.99	22289942.44	6652640.04	37109693.82	24328002.31	17130713.02	13156970.81	10729362.07	11519718.04	61880013.5	13953075.65	42429636.16	10329742.35	14162817.55	6841336.78
2-[4-[2-[(2,4-Difluorophenyl)carbamoyl-heptylamino]ethyl]phenyl]sulfanyl-2-methylpropanoic acid		14223095.35	9278147.86	8401204.63	8433827.01	8374198.48	11185629.05	11297601.62	6224110.25	10992638.38	11236166.32	11335032.99	880352.68	5147396.84	5252007.19	4522697.42	9948185.52	8450334.75	9201955.56
2-Propanamine, 2-methyl-N-(phenylmethylene)-, N-oxide		4256363.8	3540640.08	2125482.94	18168115.8	30779377.65	16137039.63	7578629.85	2188180.59	2822870.35	29229473.5	14746105.85	29863340.93	3130266.28	1789400.48	3661341.09	10595628.96	28855875.12	14639656.04
3-Ethylphenol		42094173.6	42201459.15	31093459.7	16234882.67	17186815.99	10682434.7	54979639.88	48408712.95	24054906.6	16847744.33	17290359.96	20331539.88	46335632.22	34888341.1	40066387.86	8804237.72	12817745.56	15493288.96
Etofenamate		3384490.65	3533840.09	2641671.78	1655919.22	3037447.17	1723023.15	2581458.36	7977484.52	774016.87	2573830.04	3583918.54	316267.86	2710139	4739189.69	6432265.54	4371542.8	10472092.52	4953238.31
4beta-Hydroxycholesterol		1590550634	1616959826	1559267846	1477554197	1811959275	1651789778	1663866324	2166101405	2285540815	3149589142	2067044304	936889169.4	2489412306	3872119879	3044517514	3182474509	2418107019	5127278213
1,2-di-[(11Z)-eicosenoyl]-sn-glycero-3-phosphocholine		3762039.95	5261382.27	6085781.12	8407609.43	8704519.88	8060121.71	7243448.28	6165910.51	2950672.17	8655455.68	6696772.2	5164534.78	5429875.85	5246413.31	6644290.4	6054747.78	7215201.09	6823038.16
9,10-Epoxystearic acid		1315839.84	1091034.97	538157.37	2413165.29	9146696.69	746555.39	1637765.9	6576808.02	1135758.5	5521417.37	7492588.62	4944854.62	7884721.57	11140160.99	11343743.21	5696765.25	7272604.29	5338598.71
LPE(16:1/0:0)		67803149.75	71147135.18	46126476.21	21007087.19	23257451.29	16866316.49	56658371.71	77965124.76	42726348.76	29087320.7	35653795.27	27845779.65	85855702.67	266006353.6	118643981.8	44851673.13	22062530.18	34856459.97
Valeryl-4-hydroxyvalsartan		103121738.7	51151800.45	47386440.65	18722756.04	36138085.97	31616497.85	34606357.39	1043579.2	13136954.04	40223393.76	51918718.73	39784960.62	52665297.5	3056312.59	6441660.39	27688273.73	7784134.34	4409820.71
Miltefosine		3737711.08	808139.93	1311486.39	3166366.74	5921338.04	1300149.38	3136913.64	4652315.39	626276.18	843879.35	3093215	3095123.52	4333493.93	237401.46	3022021.97	2882958.96	4480006.03	1312430.75
Bamethan		1950065.29	1869976.87	618989.66	11915966.86	13182953.56	882618.06	920657.17	2074611.21	701428.97	12519732.02	3043850.05	1808355.12	1292358.74	1273501.1	1388863.52	9152398.74	10302390.26	6030920.28
7-Hydroxychlorpromazine		3685384.82	4837770.62	1023750.33	13051781.09	32923421.79	4536200.73	186986.17	8809059.15	1485249.62	23802438.18	16707392.3	11935602.16	29210830.38	37454906.11	46338191.73	19925520.73	47847785.95	43035038.78
2-Phenylethanol		194897740.8	34248769.6	16209106.77	10467098.87	15298146.05	11470065.52	24172319.73	41802360.12	17290898.81	10128924.95	3385957.46	4703525.71	47256682.79	31644890.45	37864513.5	6349548.27	12481044.28	15299938.62
isovaleryl-Val-Val-Sta(3xi,4xi)-Ala-Sta(3xi,4xi)-OH		407016.89	2090841.33	1416884.92	1263801.13	2168369.61	289898.96	389937.64	1183515	1962536.87	1559479.93	1232379.53	669070.83	7870533.13	13615129.67	6183632.96	485318.77	1156974.22	604196.05
6,10,14-Trimethylpentadecan-2-one		27922821.43	37393058	34882052.98	20259136.5	22239889.71	23835424.78	28120481.59	36209894.15	23103492.8	22851854.9	28256646.77	14650210.14	35971983.25	20695682.55	34914532.34	19344243.62	20239479.93	18561726.02
1-Heptadecanoyl-sn-glycero-3-phosphoethanolamine		4573088.5	6928367.32	2157513.41	724549.33	7234449.59	3160499.99	1995699.09	5832755.21	1288431.34	2057286.16	5260051.58	1121818.19	4055237.99	32600297.82	2984355.88	618688.06	917200.54	793579.3
Isopalmitic acid		5032927017	5411648413	5182160185	5208195393	5404103219	4692514099	4998488917	5869895110	4852690218	6303010251	4367813806	5959534749	5532425848	5924635733	5923660332	5067060669	5524355854	5757797081
Naftidrofuryl		2443262.65	2925551.43	538410.16	2002398.8	1009508.7	2415658.75	4186677.95	247204.32	453884.67	4848478.26	7060222.75	6335119.01	714753.94	4316703.55	898939.4	3145724.31	288452.96	809674.13
O-Methylisourea		133575137.3	151162751	150625709.7	143974979	139355830.2	94334375.47	23983108.52	212880704.2	78637913.96	94077081.22	143812449.5	16801319.31	147006861.7	223619975.2	158153155.6	158211199.9	155601021.4	133117760.9
2-(2-Methoxyphenyl)-1-(1-pentylindol-3-yl)ethanone		11319400.1	9151826.68	6781608.85	6656532.43	7072282.42	419239.05	4776190.9	12964337.14	7143530.51	2481882.02	5238179.93	7245206.32	9309202.56	2182651.91	8106985.89	2890844.87	8847109.12	9221342.2
(+)-Nicotine		71032401.75	63770677.22	73940357.74	79565452.48	69963897.89	83145085.63	87670986.78	66816953.19	79920029.04	77612796.65	67494015.02	69560244.95	67151060.12	65192392.37	73617421.34	67378290.77	59591517.77	64009570.39
3,3'-Dimethylbenzidine		33784183.84	22124107.42	18016055.68	8693037.46	10485021.23	2097924.43	13787767.74	27538664.4	12637139.12	7642183.92	7992296.67	7035974.5	31111028.85	19228588.77	20404680.37	8171172.33	9029128.78	12265602.74
Bindarit		91878016.55	47118656.32	49911347.71	34234627.62	33895040.37	385738022.3	115021012.8	107698420.6	87668814.23	89119811.69	143401394.4	102436708.4	46961704.47	66131534.32	58030402.46	41869522.86	224773798.9	68792734.3
Tiopronin		4709997.25	8123841.24	48010683.46	7445906.14	10577737.18	52263896.61	3536024.36	8323714.72	6274854.73	15323586.49	10625821.73	4889595.6	46910110.71	6493643.88	5023729.33	8421221.62	6536043.77	11009969.97
Fendiline		102500467.2	124316308.9	38211170.98	24258069.44	28758179.14	38002418.09	91312571.98	3667307.71	42294480.49	104866334.3	114337501.6	105672728.5	32035663.04	32955567.97	10011368.09	96857271	45452859.99	26042775.61
13,14-Dihydro PGF-1a		12380619.46	18270980.93	19305095.37	8320316.94	3785116.36	33313138.6	3912117.66	5942430.58	3109092.94	2013448.11	1268057.54	2326799.55	3064639.35	17446826.29	27773678.68	19328092.62	8157965.34	17219044.84
Dicyclohexylamine		15690822	191010418.8	11969115.91	51576215.71	225512081.1	6954451.78	23754223.23	278157011.4	5689207.41	130017986.8	128003426.7	88783960.79	109909887.5	70019183.52	154908066.3	1005093905	187586951.8	211440670.5
1-Phenylpiperazine		21679926.55	84633856.7	39692175.25	12540232.25	66288281.43	32745395.52	33866604.81	32219524.09	34239896.12	22214132.01	29886474.09	39915937.91	91316847.45	43384547.1	36885203.74	81125608.89	46205329.84	24297926.31
Leucyl-leucyl-tyrosine		25948628.44	17901189.47	18999671.35	6935473.6	17854094.95	4251075.74	29202810.58	41922195.47	24555319.74	11973317.56	15175706.98	12563292.21	33437286.94	28258768.01	56682732.07	16370675.03	20535798.3	18748142.47
Propyzamide		26961707.76	35635246.65	245663193.6	48491164.65	37231137.76	30334572.73	29276048.49	170295961.5	25169750.17	64540199.15	34273175.04	27214910.31	25736942.72	174021623.3	39889381.4	29905523.56	114910434.9	164140487.5
N-tridecanoylglycine		18091865.49	15528250.94	13663497.25	13052575.15	16319425.44	12222609.03	23615353.77	21196282.32	18893814.02	15058882.03	16946300.11	15684220.62	17614948.72	13571399.46	19709545.79	15584760.27	14115276.78	13813475.64
6'-Methoxycinchonan-9-ol		2292145.5	801236.09	292138.47	266266.75	1227323.22	1858766.61	2051167.78	2184422.43	921024.65	2010525.52	1104329.39	6528601.8	798475.17	353028.25	1096788.28	2070785.04	3849204.52	1709436.82
Phytol		37595740.56	82013911.2	1297489.46	556964511.4	644923513	366141695.2	1024305.87	97319.77	1932292.1	435078531.8	424321924	549923292.6	1204604.96	641848.88	4636190.68	485373331.8	544400007.4	2018482.74
Fluchloralin		123528411.9	135298065.4	80151376.6	74270094.86	162964829.4	36734100.79	34459509.34	220713050.7	48184105.64	64048774.53	52790927.21	46744070.96	433351391.6	607186370	684588811.1	53734763.86	103880668.5	231923647.9
Hydroxyomeprazole		3766371.51	4969655.96	1327395.3	1056779.16	10783192.59	388829.74	3057660.84	20643033.81	2028373.1	7106436.81	6683513.26	2647078.35	6293873.85	5932996.31	19128225.75	1491243.18	29459832.1	22097670.47
1-(1Z-octadecenyl)-sn-glycero-3-phosphocholine		1781876.8	2683844.31	614389.81	5710984.34	9879122.89	2054720.84	701872.21	1224690.59	1046710.11	7135009.75	6566381.35	4170705.99	1018500.68	183595.93	642349.53	5224769.13	7670327.5	2667289.58
Kanamycin		32308281.83	26166767.66	11084334.45	3919544.49	5967714.7	12687684.96	18020135.39	5740466.31	3367474.59	23876641.53	29713244.94	19838182.2	12726741.41	9102842.3	8619662.08	16436166.69	6773310.45	5502905.64
(Z)-7-[(2R)-3,5-dihydroxy-2-[(E)-3-hydroxy-5-phenylpent-1-enyl]cyclopentyl]-N-ethylhept-5-enamide		8087174.04	7553317.06	3921846.24	8590642.43	12416955.3	2213436.17	1794768.28	2892990.52	3599855.04	5484510.14	7492350.81	5610731.9	6981572.13	2955754.08	3062414.02	8399914.67	10984015.06	11624989.15
Parecoxib		1135108.71	546808.26	354604.69	150035.33	42202.34	111217.43	251712.17	423092.82	107042.98	91637.85	150595.42	97345.81	244590.12	23639.83	26388.9	166836.13	145601.87	208068.57
2-hydroxy-3,4-dihydro-2H-1,4-benzoxazin-3-one		62298941.73	92207524.83	35210611.99	39903487.8	109595411.1	27700967.53	29870889.02	100458054.6	38076748.03	158023358.9	132925892.3	117346645	104065514.8	70495747.6	153299342.9	162076856.8	197560005.4	194436775.2
Thiolutin		21182748.37	21701030.44	19290548.19	18263504.43	21539616.69	14257523.86	19677000.51	20032192.05	17246611.24	15920813.84	17007234.02	17896011.64	22303349.31	17783609.75	17116272.57	12836454.27	20695043.85	19694582.38
4-(5H-Dibenzo[a,d]cyclohepten-5-ylidene)-1-[4-(2H-tetrazol-5-yl)butyl]-piperidine		21104580.82	18434679.15	14999405.86	56653601.86	96757001.36	24513398.37	11902645.13	11840867.55	10657638.96	70032896.71	80602762.35	63018493.39	35451236.08	10961871.6	15930036.51	58919183.59	69094485.65	67829274.72
o-Xylene		119367641.7	281737164.6	106675913.2	28945191.54	21172856.85	69990362.89	87164252.53	67814549.8	139507472.4	15650504.38	12470220.65	62740825.61	124274232.4	172635101.2	96393027.86	177472841.3	88818821.23	207641043
Norfludiazepam		88808134.16	41862408.65	62830546.5	52249044.95	30473077.46	58175216.71	62307630.9	52825995.14	49021754.68	34348013.35	50755608.87	51257199.15	54490027.44	32158199.66	61800386.96	56960091.46	53806432.75	38159246.78
Chloroxylenol		2370362359	207864329.9	220760132	142852485.1	1864370209	1205904813	1132298721	191832999.9	256503355.7	1526146653	1423665307	1161547810	352048992.9	99093216.97	1404546488	1002425021	1343004974	1352813723
1-pentadecanoyl-2-(9Z,12Z-octadecadienoyl)-sn-glycero-3-phosphocholine		13704379.62	13168775.14	14203130.44	17468472.27	19010130.47	26514096.63	28415647.34	29466465.89	24729981.66	31650999.94	39976403.56	38693850.51	22919919.86	9975351.96	14401216.87	15981828.65	25267358.28	19537324.84
3,6,9,12,15,18,21-Heptaoxatricosane-1,23-diol		110123901.3	99648874.01	77162583.84	317001915.3	471177256	135123143.3	69351418.43	71947735.71	51230116.9	379847126.4	340576668.6	438298344.2	171394118.7	54794088.06	83265843.75	343161784.3	369842215.1	353751832.4
N-(Hydroxymethyl)acrylamide		193521369.8	151111238.4	277135136.6	163889902.2	62097016.97	378334034.3	237191168.5	68316964.76	268450723.3	100592062.3	121379063.4	135656554.9	91969931.35	65064716.43	56563031.91	104406743.5	57899983.59	61723551.04
1-(4-Methoxyphenyl)-4-methylpentan-3-ol		321856323.5	354088097.2	319299208.6	272214915.5	326081971.1	323288158.1	521475279.8	430896836.3	418757726.6	324505636.2	369618112.5	356630643.1	402914012.4	308986903.6	433816237.8	318383149.8	307670902.2	317770274.2
[2-[(9Z,12Z)-octadeca-9,12-dienoyl]oxy-3-[(Z)-octadec-9-enoyl]oxypropyl] 2-(trimethylazaniumyl)ethyl phosphate		54614574.47	69985290.1	89639563.24	84625671.25	71654000.78	75408475	76752076.71	66396578.02	77841982.84	79913514.46	81237554.36	76208535.83	93876904	75715549.56	75748308.63	89614966.71	91279527.5	100228506.8
Stigmatellin Y		66363506.88	54958585.39	24042834.24	4115181.09	2454723.64	14656654.97	22947319.53	24811076.52	26834495.63	7399716.61	4830155.15	8422590.12	21426830.17	19043872.32	25182347.17	4590613.97	7975888.83	14223660.79
[(2R)-1-[[(2S)-2,3-dihydroxypropoxy]-hydroxyphosphoryl]oxy-3-(10-methyldodecanoyloxy)propan-2-yl] 22-methyltetracosanoate		144760120.8	149068993.7	145904395	148730861.1	143845852.7	152348115.4	150386246.6	144248177	149863623.9	142260837.6	141386636.8	131111772	141572488.5	126614144.6	126097936.6	133100945.2	129580202.7	123831466.4
3-Nitroacrylic acid		311494956.3	241970692.4	244352332.4	269990539.5	202897838.6	222818178.7	282193202.6	272583592.6	203196675.4	254816156.7	198916817.2	206099504.6	197409076.4	198584561.2	195219056.1	183031044.3	202613897.7	208115918.7
xI-Dihydro-2-methyl-3(2H)-thiophenone		388671920.3	2170917760	1443445361	554648599.8	781162806.3	1077644597	433384641.6	553693725	675940070.5	645227777.1	498600789.5	477586824.5	576459172	384401745.3	242755107.8	355099164.8	552509843.9	5719475.53
Citraconic anhydride		147652099	141674292.5	121627337	92765362.43	95811441.31	80365508.88	125296202.1	171999444.3	169558625.1	128147275	100941829.9	92682005.9	496972005.7	584223467.7	550397511.8	105804974.2	126325748.6	94234929.31
Diammonium ethylenebis(dithiocarbamate)		5108578914	4791795159	5255188671	4966257352	4492883312	5250699410	5001346446	4543029482	5048438643	4345905298	4504131762	4395158109	4323888315	3938296797	3875300242	4231234719	4367262881	4036098549
Mycolactone F		546767930.8	368622857.5	75269847.34	34853637.04	38095874.12	18785855.31	111579053.4	55405018.86	54913544.02	35747271.35	40610425.24	37165736.53	176566425.9	42051093.86	115765302.5	25456185.89	36647814.32	17851106.52
Mycolactone E		35396668.14	24018276.99	7263675.32	5172149.71	15402821.21	2925092.64	11798597.93	12302093.39	6533398.65	9251027.02	6282318.58	5454897.72	27323839.77	7807384.56	22660195.8	5779815.08	10515312.58	3310088.8
17-(4-Hydroxyphenyl)heptadecanoic acid		25010285.59	24649590.66	22346348.97	11564157.33	6797000.58	21100993.42	21721735.2	19676459.4	22081502.68	21712541.79	20337733.51	18403655.24	13079786.34	9201326.19	16605948.11	22561570.01	17721772.37	19994563.91
Sphinganine-1-phosphocholine		639084374.2	507934493.7	305844113.9	124268280.5	158648936.4	120236833.9	517548997.3	294267279.1	261654373.1	86923345.58	93529308.06	125525280.7	584845053.4	248585916.1	432600326.6	149974843.3	167331723.2	30553737.72
1-octadecanoyl-2-(13Z,16Z-docosadienoyl)-glycero-3-phosphate		74600506.45	35419180.79	13551614.9	25510543.58	51291664.75	9469093.9	21234786.42	20588921.59	9699675.77	34081027.72	26351817.65	22943540.77	39216319.93	14248359.64	27076535.65	31565850.95	29571551.35	3797559.82
Coenzyme Q8		5542677.72	5557902.88	5455947.66	2720349.18	1666440.61	3050345	496582.37	5080380.47	4113849.96	10990310.71	2352326.59	1577066.06	4702672.8	12545925.1	6368813.56	16208624.91	9684113.98	4058432.34
1-docosanoyl-2-(13Z,16Z-docosadienoyl)-glycero-3-phosphate		27289363.06	6438184.67	1583129.3	14585279.39	33241908.51	63443859.49	13962276.62	16585948.18	2618455.74	13165581.6	30526590.78	31798151.06	20009000.55	36380.54	8895105.76	13892352.45	26368281.47	36693016.75
Tangeraxanthin		110799328.6	77842312.86	49344105.63	92829913.54	148377183	57016449.45	74050467.89	91888530.54	51129498.97	92940871.98	80531704.01	88054075.6	96465608.36	36150395.31	84892198.47	106523944.2	134165765.5	259080251.2
1-S-hexadecyl-2-O-[hexadecyl(hydroxy)phosphoryl]-1-thio-sn-glycero-3-phosphocholine		175496169.3	83994946.3	28688306.09	14473170.23	31304663.87	7506239.56	44553351.1	28679905.93	17940652.65	17177124.72	15012405.38	14683473.43	70686792.4	18720774.67	41034033.85	13424926.42	18961736.91	7527467.83
5-(3',4',5'-Trihydroxyphenyl)-gamma-valerolactone		16912212.37	7416374.82	20927437.94	3129227.79	2167547.3	34109215.5	18600681.17	1545523.82	22504920.75	5111798.69	3474603.27	3323627.96	4021087.49	1610612.17	1576935.27	3689205.58	695756.52	235359.18
[4-[(2E)-3,7-dimethylocta-2,6-dienyl]-2-formyl-3-hydroxy-5-methoxyphenyl]methyl (Z)-octadec-9-enoate		134217872.2	32160981.01	12558939.44	17281943.2	26391710.52	8272800.62	36939187.2	23562760.69	8781984.03	17987214.77	12447475.69	16322399.1	31742361.51	12850666.46	19017345.51	16240681.42	23812618.21	2751741.33
1-hexadecanoyl-2-(13Z,16Z-docosadienoyl)-glycero-3-phosphate		51340479.42	27100037.77	8639423.71	4262498.01	18957007.54	952902.05	14948085.6	14259802.41	7034011.95	10202622.04	5513065.08	5367391.19	31498259.81	10194163.42	21302812.93	8309716.51	15151243.72	6180764.49
5-Hydroxy-6-methoxy-3-methyl-2-octaprenyl-1,4-benzoquinone		34759929.08	17002450.53	4525449.71	53350747.5	97493306.5	18120908.36	9099299.07	8473762.4	3396193.81	66604267.02	59440184.51	41527447.73	17351798.56	5323703.12	12230989.53	62680226.06	62054939.16	26471288.88
2-(Dimethylamino)acetonitrile		33314422.05	22166599.51	34087473.56	20867664.14	12517973.64	21756612.94	35650281.2	22546868.42	32807649.29	20784729.17	18592180.75	22474612.9	20464809.34	16201147.43	26766857.48	20045829.82	31508288.14	35885185.82
4-Hydroxy-3-octaprenylbenzoic acid		2051591.66	679442.66	159520.66	104190545.7	225113699.3	53425302.9	894177.84	177917.64	153667.96	118046406.4	111115371.4	93903530.67	1158917.83	86918.33	227922.73	158723796	168104857.6	951588.16
muricin D		82107.76	2087405.08	1605156.63	11753116.72	21250973.07	4901385.16	1953262.12	194901.55	1029903.4	18364954.04	13945624.35	10715483.4	152045.66	204408.72	216112	15492521.34	18703586.53	6367472.91
1,2-Dihydronaphthalene-1,2-diol		2891138.61	2381651.98	2154395.45	2219397.98	2260575.32	1961139.76	2145459.76	2469055.75	1679975.67	986633.16	562759.85	573875.2	6634797.59	7886975.15	11081208.77	1914575.37	2243488.07	2591178.76
PG(a-13:0/18:2(9Z,11Z))		10347921.49	6942128.71	2945119.1	10191786.88	9948989.98	6743298.83	1364338.92	4766347.09	972270.67	9815576.5	6858552.91	8034578.81	6461229.19	2330616.46	2837938.62	6102577.55	8131789.01	291860593.5
1-Phenyl-2-hexanone		8501384.22	5922503.44	3645846.5	3941538.9	3225415.06	6587341.77	5163278.6	5591055.32	4188075.26	4198683.63	4102911.22	3476991.12	6986955.79	2110131.85	6066906.64	3196947.06	3615013.08	6819262.14
N-Nonanoylglycine		14551516.64	12396690.14	9490802.16	9341297.58	11110145.11	9301976.61	22710817.52	28223445.97	16024255.45	10272857.46	9643429.3	13564117.95	17789888.97	14063781.59	13678076.61	13031285.93	10693700.71	11695270.26
1,4-Di-tert-butylbenzene		6436714.51	8851893.21	7364709.19	12446059.39	11090369.49	5250862.87	6150406.72	14401114.57	4391814.76	5386148.7	6157411.85	14250448.78	7188997.71	4554163.56	7756203.16	3760132.23	10206934.26	12790949.72
3-Methyl-4-(sulfooxy)but-2-enoic acid		2548063.52	1197319.33	953314.57	4469204.06	8687380.94	15308718.12	6570947.25	16053345.56	6511781.4	5657356.13	6300510	6580858.47	6423382.2	5825193.66	6180176.03	1917183.4	5797258.86	6069296.01
(2S,3E,6R)-3,7-Dimethyl-3-octene-1,2,6,7-tetrol		268732393.9	82218080.21	292894706.1	330150898.7	213724681.4	289542749	159340444	334015934.8	163545474.1	303633434.7	298772813.2	32389697.86	322110021.7	29814056.31	309666029.4	28970557.34	313952244.6	160598233
(E,E)-2,4-heptadienal		6977437.26	4509217.59	4562747.35	17099757.08	21065992.25	12082140.52	4231276.97	6414415.8	4267317.65	17510820.87	15487373.71	14870056.33	12851068.86	5213049.05	6106837.3	12782200.28	18839690.36	17995583.37
Oleoyl tyrosine		4234551.17	6010743	10042777.72	6365589.39	1789131.59	5311637.3	2630532.63	15380159.84	1838179.17	2046311.99	7710304.81	10116080.33	6351852.52	20532797.27	8360256.92	3299989.71	14388632.96	1555310.97
2-[(3,3-dimethyloxiran-2-yl)methyl]-4-(3-methylbut-2-en-1-yl)benzene-1,3,5-triol		11291966.91	5387219.45	1727955.99	7558285.06	3653287.07	1456816.11	6907767.85	4403701.62	3274559.83	6704360.36	6638947.42	5670321.41	4178981.58	6934864.67	5151112.36	2057352.98	8081693.53	4709125.34
PC(15:0/20:4(5Z,8Z,11Z,14Z))		1386608.68	21264017.45	39502935.83	53844114.12	37540493.35	49425335.68	60964702.73	61714855.4	55949431.92	56878152.9	45772560.22	36631956.48	51277578.79	30988406.6	41660449.94	35739550.04	48565128.63	48990612.24
Trimethylolpropane		6238074.85	3062651.39	7795095.06	4876813.39	3527114.25	5361769.3	5892533.55	7884927.04	5566528.06	1306769.25	6206735.84	5961176.67	2268896.09	1210245.97	1179444.93	8190734.73	5557680.46	447267.04
Bacteriohopanetetrol glucosamine		63258687.88	50986292.38	25762327.11	45496899.2	23636434.45	45054337.38	13451541.22	28756006.31	30233767.2	46386864.76	34593878.09	31403255.03	5044604.05	25591865.32	23708931.35	39381583.96	44925009.71	50222528.23
Poloxamer-188		465351507.6	393703331.3	325208302.7	319087961.7	385375197.1	417165809.9	359112913.7	431414019.4	598730802.1	533521137	391814847.1	316824617.3	516894953.2	484138486.9	381313186.2	324472064.2	417303034.7	325427688.2
1,2-Dimethylimidazole		2402421.4	935324.86	1371091.3	1676776.58	993803.77	1433826.01	1982264.31	1411513.19	1561246.14	522446.65	679469.72	1568536.12	624555.05	836010.4	862390.44	2665053.9	1272390.21	1555422.96
[3-[2-(dimethylamino)ethoxy-hydroxyphosphoryl]oxy-2-hexadecanoyloxypropyl] (Z)-octadec-9-enoate		1159810.74	89161713.21	179195807.4	380669265.3	41669683.04	135971963.6	88534337.52	108737706.3	108200847.1	92627458.3	103340750.9	131643089	33302897.7	136367748.2	22301849.89	137328819.5	50557139.07	22505573.91
4-Chloro-3-methylphenol		3658148.75	1650356.54	6589984.18	556302.96	886268.72	12480525.4	5524747.05	189503.41	2339187.68	989036.74	347456.84	543597.04	1143140.07	183808.32	352794.94	942824.98	1257301.82	988845.79
2-Keto-6-acetamidocaproate		10653537.78	5972319.74	3467287.99	6166240.3	12655196.98	297433.3	3086820.15	13703856.3	3981295.77	5687806.45	3464279.03	1354100.3	37115361.53	37728128.36	41353146.67	5949656.47	16421387.05	13496696.23
Cyclocreatine		40995647.62	38138345.43	42229264.35	33897338.65	48840005.14	12970896.56	29226245.58	50456964.08	16422974.63	53420289.57	35308398.12	43662892.2	159052091.5	150641647.8	236466858.9	62090428.01	75302864.55	57091525.87
2-Butyne-1,4-diol		19770627.77	19462834.1	17873497.57	17160217.37	29849297.18	15390613.22	23485950.84	12117941.72	7780372.62	1642141.01	12382059.5	1511638.36	18296989.5	16141395.4	22505259.57	17437077.19	14886887.87	14422898.02
5-Isoxazoleacetic acid, 4,5-dihydro-3-(4-hydroxyphenyl)-, methyl ester		187263.34	254166.37	311187.24	817537.88	974834.46	398725.6	666810.91	1828753.36	146089.23	848516.39	546227.59	1504143.48	139585.95	27671496.94	181847.2	2091805.29	1826261.07	1411146.48
PC(14:0/20:4(5Z,8Z,11Z,14Z))		33065691.56	109949516	47749079.03	39118385.96	9139152.95	6480376.46	7539139.2	14734442.78	7939421.71	5478141.38	2963607.58	2094601.91	4300016.28	4675432.55	4710967.63	8347134.61	4064241.1	6031941.31
Nonadecanoic acid, 1-[[[(2-aminoethoxy)hydroxyphosphinyl]oxy]methyl]-2-[(1-oxohexadecyl)oxy]ethyl ester, (R)-		15069385.48	4187062.51	3503426.44	3961370.38	4770384.66	3675939.11	2106332.64	3067127.85	1853204.52	1596311.63	1269116.4	4548215.36	55364.65	5699520.38	4752311.8	6635593.44	2610589.82	235048.54
PA(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/24:1(15Z))		109725965	48057745.98	17256399.86	6368087.74	14231519.32	3380125.22	25736439.69	16455967.33	10582736.08	8434892.46	5925801.91	6630719.55	41583678.53	10465136.18	24566411.09	5727972.92	8531244.58	4301910.64
1-Methylpyrrolinium		195203077.3	199004700.9	127274226.5	115877639.4	201968897.5	79788936.46	123039522.3	209642186.5	115684724.7	190397618.3	171709054.5	149965700.1	410059609.8	413566692.8	475630813.2	183189386.7	207928088.8	187253011.5
MG(0:0/19:0/0:0)		32075613.4	35326991.79	35797431.07	42738262.82	27270636.47	42847918.63	33309325.29	27781118.43	42343553.97	40785243.32	35218483.49	31183591.17	29995515.05	28916045.08	29236468.74	32234043.68	22376726.91	68843258.34
Penicilloic acid		317136.52	1290770.12	1361246.47	531040.7	2218387.99	1642188.15	1477546.92	1601928.36	265326.48	399527.05	2186938.94	1076569.38	9719620.57	9239905.04	11727748.95	465571.76	877756.22	1087344.28
1-hydroperoxy-8-carboxyoctyl-3,4-epoxynon-(2E)-enyl-ether		576847.77	961353.44	1208409.08	5934752.46	6720884.52	2298320.73	1581504.59	1275289.86	1595386.34	6572964.75	5912513.24	3362487.98	438970.84	219242.81	193707.22	3757721.49	5918090.3	3203843.61
beta-D-glucosyl-N-[(17Z)-hexacosenoyl]sphingosine		44567227.87	14206495.96	6208346.59	4324947.09	13154568.55	3395065.63	17862295.53	8239596.4	4541727.08	5300151	6015565.22	6552999.6	28736867.74	6516460.58	12668567.47	6939459.09	10162481.21	2551613.17
N5-methylglutamine		11523827.9	32355379.03	46332006.89	15504438.77	38392346.13	9062184.47	35380577.49	44601110.8	29363455.24	8618268.99	36172929.3	25521502.75	43238656.52	21055740.88	44547924.91	10644184.79	22607786.55	45354622.35
3,3'-Dimethoxybenzidine		3126417.95	1825970.43	1207077.36	227522.35	719155.62	403903.61	1522505.73	9106095.85	1559986.74	5050118.88	2172571.15	1970395.04	1849604.05	2388346.5	2403199.69	826561.87	8893170.62	6167761.63
PA(22:1(13Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))		86575355.87	39385077.81	12351776.77	4460557.82	8523352.22	4401513.4	20738933.33	14330709.3	11421833.84	7414548.09	5688881.56	5913976.34	34379584.47	7827505.02	28730472.61	3898832.19	7088530.41	3118232.91
2-[4-(3-Hydroxypropyl)-2-methoxyphenoxy]-1,3-propanediol		6427328.72	3842018.93	4414598.97	1196044.06	3065957.52	3397920.65	6866519.6	5460668.6	4793527.21	3229672.1	1770974.93	2278800.11	6363948.89	5404559.58	7311859.09	3137394.15	4270191.93	7669501.95
PE(P-18:0/18:4(6Z,9Z,12Z,15Z))		7273106.95	12234433.77	9868044.64	14033464.28	11424310.4	3442267.04	10320127.22	12417614.4	7789331.93	7680012.51	11189649.08	11248322.17	5503222.76	5276189.76	5739139.51	9474550.3	3053256.31	14504147.47
N-[4-(3-acetamidopropylamino)butyl]acetamide		17666188.61	19277203.41	22013888.03	8425871.86	9596263.41	13258005.42	21261736.66	110879194.2	19246216.14	13525640.08	14661067.19	12449139.7	30510839.72	315457075	20814319.3	11330786.02	47035688.19	32729295.82
4-Hydroxy-5-(3,4,5-trihydroxyphenyl)pentanoic acid		26664504.66	26604332.43	31345873.56	29526223.21	26504187.85	26664546.39	31193107.03	20988852.6	33600720.94	23259533.9	27060683.39	27211992.95	30973205.32	27414499.05	28546998.03	23855855.92	24133839.69	25032757.89
Neocasomorphin(1-5)		1730808.89	8818123.13	1495872.85	7421685.28	15786791.71	4841696.54	263110.93	16448790.02	557722.62	12322630.5	8002237.03	8566511.72	1473560.66	217915.18	17548905.34	13417968.85	15404647.36	15569298.84
2-Hydroxy-3-phosphonooxybut-3-enoic acid		6839487.12	11001575.38	6236280.07	4366570.81	10182925.75	3760650.44	10528877.59	6874855.58	1512801.81	5660529.04	4614227.52	5711106.83	4423968.86	975446.77	5455518.53	4644478.58	3238233.09	3547326.78
Benzoylagmatine		3867379.78	2695687.32	2852569.08	1456983.77	601413.61	822300.28	1309366.95	1022894.72	2171716	1342211.05	1439617.77	1712909.68	1247023.73	2610168.26	515278.85	879643.15	2117951.74	1039208.82
gamma-Glutamyl-2-aminobutyrate		4453848.56	4441340.17	2834670.33	3828074.17	3680713.8	2691041.19	4275965.86	8164898.79	2278256.58	6176951.04	5274792.29	5642512.84	6117954.33	9271089.37	8425681.67	5523210.6	12668986.5	8272929.94
4-Deoxyannoreticuin		4952172.8	1671847.84	1155221.81	2164530.5	3692882.36	324000.63	1216408.21	889324.61	497158.67	1906821.24	2438560.72	679987.02	1656073.66	373897.12	1434948.64	1594247.05	1104134.52	60995.11
xi-3-Methyl-3-cyclohexen-1-ol		2630152.38	6809746.53	3436513.8	6614488.48	6202407.63	5206790.79	4510978.68	5950161.47	8194533.61	4330313.64	4041298.59	10762296.04	2555487.94	5010723.13	5928956.44	3165683.41	4879590.55	4368684.52
1,4,7-Triazacyclononane		56887607.84	125809276.1	27942474.82	119917395	153207888.5	18972433.95	58689081.37	155845178.9	30254858.44	157274927.5	154455852.5	136531444.5	136303221.4	158840781.6	161461112.3	139535677.6	134438761.3	125668671
4-Chlorophenoxyacetic acid		22137081.58	27995220.25	24066761.26	14377342.78	74487027.85	16260745.85	55878138.59	19253817.62	54904777.6	4614535.75	8105162.36	17593969.69	19168927.64	69709205.1	10961500.53	19740793.84	5850074.19	14458106.03
gamma-L-Glutamyl-L-pipecolic acid		352295.49	648188.46	538717.55	278562.88	457695.78	642796.31	1449035.16	1378863.06	245394.75	426574.36	5044015.68	2601443.65	742818.7	2046881.03	1893058.8	316995.32	345687.42	1564556.36
PA(20:3(5Z,8Z,11Z)/24:0)		801893.87	13188224.29	656016705.7	121253784.2	200748292.9	208739451.3	242317928.2	273233326.8	242104296.9	132755700.4	98918546.19	209070725.6	277100310.4	100437434.7	446795853	79949713.55	86811895.38	121082986.3
γ-Aminobutyric Acid		8933815.09	38796729.17	15941601.85	13133135.88	5186090.53	36562297.92	19325646.34	15450322.72	18765009.35	800142.06	6120381.72	31738074.22	6780886.89	21475987.75	9415256.32	28646200.16	11393124.81	5474351.78
Naled		9344644.27	3161906.66	10659239.06	1910279.72	6555045.54	7147295.76	1374147.83	3393387.51	4963554.98	5193963	4356888.08	6418634.98	556690.56	1989902.14	1182364.89	8171430.53	5136084.16	3047140.06
cis-Murisolinone		13801982.2	16409773.02	4502125.9	210217507.4	335743226.9	94327818.84	6452561.77	6246373.95	8382316.1	214555671.7	195708500.6	156178869.2	6569572.32	9914572.92	5236105.95	195620107.2	254379700.5	5441443.07
Selenocysteine		2157110.32	308359.16	1871087.36	2948487.91	365945.4	2156903.72	1669347.9	1795577.56	2244994.9	3801653.15	4270937.95	1066557.41	3912954.02	1738697.72	13371262.19	4738343.95	7694543.56	4211072.5
ISOPRENE		30810667.09	25189425.26	25772245.33	29276712.24	28910035.14	35653250.29	25714054.41	50720395.74	33324199.97	24611725.73	65699953.06	23005309.4	30903953.19	35614483.15	79430370.24	26035345.48	23976568.95	50598662.53
3-Chloroaniline		7613086.86	9921194.94	21303035.01	23127979.29	21587961.06	3735632.63	5330452.32	24592878.05	12566100.03	21714245.93	7581005.25	4077451.4	11929225.82	8758367.06	6877554.07	15311490.28	11971680.09	14936108.83
[2-hexadecanoyloxy-3-[hydroxy-[2-(methylamino)ethoxy]phosphoryl]oxypropyl] (Z)-octadec-9-enoate		239385006.9	310963304.3	299918033.4	268010948.4	260775954.2	245890982.7	252982811.7	233505025	192536692	172107322.8	249402310.3	239685454	227019477.4	232918697.3	188753634.1	191470672.9	192064194.3	258751093.3
5-Hydroxypyrrole-2-carboxylic acid		39682887.21	113009240.8	34149286.69	46172866.39	29937269.1	46728080.47	28343713.87	23551104.1	25542410.47	17004043.88	28554537.57	20845734.99	42639582.5	21078236.71	29651438.73	16503747.93	29529830.81	57948685.16
Urate D-ribonucleotide		1974932.22	2227486.86	1479290.95	1430144.11	2832889.97	2719497.42	4170834.64	4184577.42	1578232.13	2021018.29	2278737.18	469211.16	7083713.86	7162533.94	10038901.05	1919874.79	3359339.47	2844775.02
6-(2-Hydroxyethoxy)-6-oxohexanoic acid		17990891.98	17758529.71	21525565	13742954.24	15592161.43	22615778.55	20565967	12268429.55	22465846.92	18131468.07	17106460.65	22071571.73	17294969.71	7753514.64	2286017.47	15001400.49	11953445.63	14224534.88
2,3-diketo-L-gulonate		75935279.09	45109675.14	37329020.19	23607374.84	33234170.56	32275462.47	42982463.45	37202091.46	40570720.13	46808431.79	49648419.05	39823872.12	40134914.13	51533757.68	86086292.41	47843837.3	40925199.03	35948251.97
3-Hydroxylidocaine		23440918.68	15799186.95	16163077.29	16472167.41	25484140.93	18276883.55	11163950.53	13772200.03	14759313.95	18941896.79	16241854.4	14379481.96	12173585.43	12398643.34	12438805.16	16681119.73	18723323.08	11975023.91
11-Oxahexadecanolide		11373282.3	9187589.32	9038424.49	8508874.06	11687747.4	16038108.59	9740867.88	12096145.57	10456143.35	9088996.15	9347139.9	8617224.78	5393771.59	6612658.95	18287010.7	6650308.31	10805137.94	13655876.06
Quinmerac		909681.69	5226884.67	5449895.21	7277829.71	7857565.83	3409294.86	4675268.64	8280129.47	3769531.05	6391298.44	4865556.4	5229949.07	3907270.26	3568346.55	5524408.31	5851255.96	4868505.85	8056034.89
behenate		106022372.2	127844725	101340930.1	103952214.5	113614579.8	109388357.6	126300796	99598947.66	142319449.3	105656197.3	119223514.4	106371576.6	102265398.4	94707340.12	90794130.58	116282384.6	92735114.26	91945194.81
N-Desmethylzopiclone		567941.43	741018.19	92621.32	160242.27	3330635.15	416154.82	183752.77	3660556.95	1128222.72	145276.66	139111.13	685507.03	14640189.14	6093601.01	10685370.95	505655.56	2712671.65	2078210.75
p-Hydroxyphenylacetothiohydroximate		3101771.71	208908.74	3370597.57	658444.04	558056.86	5777856.27	3092392.69	169165.34	3947771.45	662031.03	252893.69	187051.77	548688.96	158759.19	1717524.66	145026.6	1451257.07	881182.17
3,8'-Biflaviolin		1574582761	1454116575	1619630647	1542035187	1378004189	1565442878	1558734055	1398154240	1565859263	1292915785	1374795002	1329179893	1296894636	1162927603	1094946355	1263213508	1331639215	1230171551
3-(2-Hydroxyphenyl)oxirane-2-carbaldehyde		5227104.34	5557832.84	5424858.43	19860772.74	7579630.4	6252572.85	5515796.08	4153465.98	5562670.49	6532652.32	6392076.04	22706029.68	5775893.41	6375492.23	5081185.09	9155786.34	5020824.37	11233475.55
Platydesminium		4960934.15	3752674.04	840163.02	1643847.48	3679490.92	3579114.86	3370274.54	1166205.36	390572.93	9993495.59	11952714.16	9349509.72	2991602.59	4973839.85	415370.11	5989348.39	3668277.49	2177802.75
1-Pentadecanoyl-2-octadecanoyl-sn-glycero-3-phosphocholine		59260101.88	62567644.25	23967695.11	35052924.85	19321651.6	27034019.99	43573256.66	16004523.28	33968358.58	165670465.9	56808397.74	43503615.49	26561609.42	26056555.77	29087623.11	156026517.8	58529801.05	28879619.46
Leu-Val		4420991.23	3294431.63	219863.81	1532981.28	1714031.05	1749539.86	5518564.83	20175658.21	504958.99	13382142.84	4341532.12	2286493.03	1546233.31	51928749.89	1407810.71	1950900.19	2778978	2628867.3
Trp-Pro		16545311.46	47740567.33	14963588.75	10819350.4	56636044.04	21862792.67	22339198.67	38497253.25	17018473.22	29821473.59	27235877.09	27649943.49	48616181.43	20527737.56	32868115.22	16652472.11	51554260.4	54850610.37
Endomorphin 2		3489533	15185809.94	865966.63	1899179.72	6200352.35	1190777.74	334017.26	1536106.51	971350.46	8927183.48	6478528.69	7989997.99	3451562.26	19934579.35	26738989.49	15595290.47	17729804.59	14087212.97
Asn-Trp		1343360.85	2781517.45	1145537.76	8691615.77	17849407.86	2756057.37	2475635.44	15074102.22	2324461.11	9164692.03	8948618.13	3018394.78	3887615.73	6269385.74	4535033	8585016.61	24035954.71	23511959.49
Isoleucylleucine		1201512.08	1477339.3	108591.54	1604051.54	2602024.83	1245525.82	1430636.78	15402001.72	549343.48	1967419.58	3121175.7	2550538.61	605339.56	44724888.98	2056670.41	3179710.76	2816966.29	2780543.28
1-Stearoyl-2-arachidonyl-sn-glycero-3-phosphocholine		67499187.52	50582047.5	15438046.57	7492130.67	7096503.71	10623072.41	8021598.92	9059270.85	44941904.55	1437633.86	14202855.64	8875944.35	8903292.72	10425335.82	19862611.81	7872634.46	9351062.71	103800984.1
Auda		8091555.37	2206997.04	4680083.29	6877139.65	11707107.07	16077702.47	3370639.89	3180797.4	2068271.63	9843229.73	6231926.78	5509493.88	2402706.14	3943519.4	283730.8	6158450.06	11243649.67	7193038.26
Prolyltryptophan		14044254.77	16962264.75	15475813.91	17673052.62	30190106.93	8685106.45	13747625.92	23765782.97	12555815.71	29389591.98	24396770.17	10154088.96	36363460.96	25798398.37	21826334.23	14049693.82	24815872.91	35147384.76
1-O-Palmitoyl-2-O-acetyl-sn-glycero-3-phosphorylcholine		318868894.3	377600970.5	266708575.5	247189792.9	373969135.4	190017105	301687358.1	686072447.9	314574771.6	459809317	536344045.1	474089347.9	395132427.2	4364493213	641144146.8	504903427.5	462946877.6	430357478.7
Tetranor-12(S)-hete		4441761.1	2926976.59	3294093.34	68572147.28	56417858.71	28605010.4	4392656.55	2940780.59	3412593.49	47669496.18	42226374.51	59882394.95	6297104.18	826730.87	3192715.81	47806255.74	33046476.75	183602958.4
4-Azaniumyl-4,5-dihydro-1,2-oxazol-3-olate		635732550.9	744880895.6	416111724.4	333377702.2	579839648.8	234293782.3	399264836	840104053.5	342131546.7	676793561.1	563137473	348290353.2	1392822213	1877113664	1768646125	625293787.5	549072212.4	666639269
Medica 16		36232406.35	49189087.6	31973831.5	34695510.27	32217467.83	33276092.66	31080869.53	28966402.62	32056028.36	39255304.25	32059435.44	53797519.1	30114402.92	15310849.81	25713894.58	28818811.5	25776785.93	29727376.66
(1R,2R,9R)-1-piperidin-2-yl-3,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecane		52089640.16	31453595.91	24725270.93	48255775.08	47840049.43	47417806.67	40275386.59	52380102.46	45651207.99	52197570.45	48349980.79	45210816.98	82902485.29	59031798.34	35780278.1	64874116.2	75167624.32	78684536.98
3-Azaniumyl-4-[(1-methoxy-1-oxo-3-phenylpropan-2-yl)amino]-4-oxobutanoate		42164427.43	41940392.23	17828506.62	10847137.08	12972469.26	15550699.64	19397808.15	952856.55	13162144.8	34091282.94	41126539.72	33666675.49	17871394.17	331862.55	3513604.95	28641732.93	12781303.73	6282645.62
Protopine		96407431.08	89014168.51	112646367.1	41533460.79	165799655.7	20071037.59	57010068.03	146302666	154771558.3	62478055.7	1808726.44	3495916.18	603130739.5	798423311.5	851712254.7	54589414.33	2383946.03	80442078.57
3-Oxolanosta-7,24Z-dien-26-oic acid		69483840.19	36886481	18036943.32	47700511.34	82896062.75	20460483.22	41159483.12	24311163.79	18075414.26	48942986.15	43851379.27	47682176.75	74467067	5094289.22	21854899.24	69118646.51	73244733.82	3786231.29
1-(D-3-Mercapto-2-methyl-1-oxopropyl)-L-proline		3686388.98	3064755.61	912738.73	14229614.77	43066543.46	7399105.08	5729281.53	269162769.4	1874280.5	31790466.52	25011030.02	22379571.19	5941393.94	168547028.2	31628940.01	18496669.12	17542763.39	16687873.93
14,15-Epoxyeicosa-5z-enoic acid		19640367.32	11273704.57	6003244.69	211256695	313850829.2	76261560.73	13764973.77	8596187.56	4224566.55	241168323.2	186363523.3	161602661.6	18006927.59	5572685.96	12242875.49	199841918.3	217806384.8	1467306.33
AS 1-5		138331822.5	163003889.4	133471037	108761133.1	43584818.51	92784292.53	111518987.5	131130740.5	49280618.26	67743721.37	91571728.58	46771631.77	100452629.4	59416780.41	47515818.93	43382994.09	92508928.84	109646894.7
1-(9Z,12Z,15Z-octadecatrienoyl)-2-(5Z,8Z,11Z,14Z-eicosatetraenoyl)-sn-glycerol		2438766.2	366067.99	215366.2	104875072	212226096	44717658.38	585651.37	120821.24	116821.41	139572542.5	103828214.4	85637043.48	1146895.33	99578.35	556375.62	137773400.1	138980642.9	1433955.41
1-(9Z-tetradecenoyl)-2-(4Z,7Z,10Z,13Z,16Z,19Z-docosahexaenoyl)-sn-glycerol		21094436.9	12859835.78	7019623.95	191636911.7	324044871.7	93436203.88	8417772.43	7369942.73	3699204.54	182161934.9	175621950.7	150598077.2	10007855.79	3969518.39	8213460.26	194569852.9	262790283.9	4798549.5
TG(20:5(5Z,8Z,11Z,14Z,17Z)/20:5(5Z,8Z,11Z,14Z,17Z)/20:5(5Z,8Z,11Z,14Z,17Z))		20221020.35	11753441.28	6403328.01	1376309.43	7691518.82	19711810.83	4032489.23	7186533.6	2771728.84	5807569.66	10502847.92	6338089.53	8473350.84	9794526.54	2083399.5	2858887.41	11292441.46	11451629.56
[(2S)-2-hexadecanoyloxy-3-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxypropyl] (Z)-octadec-9-enoate		5043288.89	2263933.32	769130.66	50221.79	934618.28	754485.53	1610040.32	1300539.04	421654.13	299274.27	581878.3	457035.14	2740185.82	825557.97	2043789.89	267245.05	800339.28	780223.88
[(2S)-2-hexadecanoyloxy-3-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypropyl] (9Z,12Z)-octadeca-9,12-dienoate		75062067.01	69274988.17	22475622.81	1626181.16	94238045.42	14604654.6	35015159.43	24974703.8	18424582.18	41667652.91	46351582.78	35192885.26	62031171.2	13301225.8	47392871.04	9071360.73	48738540.67	128148558.2
DG(22:5(7Z,10Z,13Z,16Z,19Z)/22:5(7Z,10Z,13Z,16Z,19Z)/0:0)		5847748.71	6512613.51	5703684.95	3466761.23	2251316.52	506313.13	4759765.88	21728613.11	5929677.5	4771408.75	579369.86	7521375.35	1943759.24	6264402.6	7014573.01	4254314.94	444540.81	1735006.37
MS_METABOLITE_DATA_END
#METABOLITES
METABOLITES_START
metabolite_name	PubChem CID	kegg_map
L-Phenylalanine	6140	ko00360,ko00400,ko00470,ko00970,ko01100,ko01210,ko01230,ko02010,ko04974,ko04978,ko05230
2-Amino-1-phenylethanol	1000	-
Nadide	5892	ko00190,ko00730,ko00760,ko00983,ko01100,ko01240,ko04148,ko04152,ko04211,ko04925,ko04936,ko04977,ko05208
L-Proline	145742	ko00330,ko00470,ko00970,ko01100,ko01230,ko02010,ko04974,ko04978,ko05230
Niacinamide	936	ko00760,ko01100,ko01240,ko04977
L-Valine	6287	ko00280,ko00290,ko00770,ko00970,ko01100,ko01210,ko01230,ko01240,ko02010,ko04974,ko04978,ko05230
Choline	305	ko00260,ko00564,ko01100,ko02010,ko04725,ko04976,ko05231
3,4-Dihydroxymandelic acid	85782	ko00350,ko01100
Thiamine	1130	ko00730,ko01100,ko01240,ko02010,ko04122,ko04977
1-Methylnicotinamide	457	ko00760,ko01100,ko04976
Lumichrome	5326566	ko00740
Spermine	1103	ko00330,ko00410,ko00480,ko00770,ko01100,ko01240,ko04976
L-Tyrosine	6057	ko00130,ko00350,ko00360,ko00400,ko00730,ko00970,ko01100,ko01210,ko01230,ko01240,ko04728,ko04916,ko04917,ko04974,ko05012,ko05030,ko05031,ko05034,ko05230
Ornithine	6262	ko00220,ko00330,ko00470,ko00480,ko01100,ko01210,ko01230,ko02010,ko04148
Acetyl-L-carnitine	7045767	ko04931
Hexaethylene glycol	17472	-
2-Naphthol	8663	ko00980
L-Threonine	6288	ko00260,ko00290,ko00470,ko00860,ko00970,ko01100,ko01230,ko02010,ko04974,ko04978
Spermidine	1102	ko00330,ko00410,ko00480,ko01100,ko02010,ko04976
Epsilon-caprolactam	7768	ko01100
Oxiglutatione	65359	ko00480,ko01100,ko01240,ko04216,ko04918,ko05208,ko05415
Pyrrolidine	31268	-
Pyridoxal	1050	ko00750,ko01100,ko01240,ko04977
Carnitine isoC4:0	10177002	-
Glutathione	124886	ko00270,ko00480,ko01100,ko01240,ko02010,ko04216,ko04918,ko04976,ko05208,ko05415
3'-Adenylic acid	41211	ko00230,ko01100
Dodecyl glucopyranoside	93321	ko04721
Adenosine-5'-diphosphate	6022	ko00190,ko00230,ko01100,ko01232,ko01240,ko04068,ko04080,ko04142,ko04152,ko04611,ko04714,ko04742,ko04924,ko05012,ko05014,ko05022
1-Naphthol	7005	ko00980
Putrescine	1045	ko00330,ko00470,ko00480,ko01100,ko02010,ko04148,ko04974
S-(5-Adenosy)-L-Homocysteine	439155	ko00270,ko01100,ko01230,ko01240,ko05208
4-Hydroxycinnamic acid	637542	ko00130,ko00350,ko01100
Flavin adenine dinucleotide	643975	ko00740,ko01100,ko01240,ko04977
Uracil	1174	ko00240,ko00410,ko00770,ko01100,ko01232
Aniline	6115	-
Gamma-Caprolactone	12756	-
Guanosine-5'-diphosphate	135398619	ko00230,ko01100,ko01232,ko04014,ko04015,ko04137,ko04140,ko04144
MG(18:2/0:0/0:0)	5283469	ko00561,ko01100,ko04714,ko04923,ko04975,ko04977
Creatinine	588	ko00330,ko01100
Firefly luciferin	92934	-
Thymoquinone	10281	-
Sebacic acid	5192	-
N-Acetylserotonin	903	ko00380,ko01100
Pipecolic acid	849	ko00310,ko01100
Maltol	8369	-
Caffeic acid	689043	-
Piperidine	8082	ko04974
N-Acetyl-D-lactosamine	9800166	-
Phenol	996	-
Cuminaldehyde	326	ko01100
L-Norleucine	21236	-
Benzamide	2331	-
2-Picoline	7975	-
Dihydrokavain	10220256	-
2-Phenylacetamide	7680	ko00360,ko01100
Taurine	1123	ko00120,ko00430,ko00920,ko01100,ko02010,ko04080
Sphinganine	91486	ko00600,ko01100,ko04071
Palmitic amide	69421	-
2-Phenylbutyric acid	7012	-
LPC(18:1/0:0)	53480465	ko00564,ko00590,ko00591,ko00592,ko01100,ko04723,ko05231
L-Homophenylalanine	2724505	ko00400,ko01100,ko01210
Indole	798	ko00380,ko00400,ko01100,ko04974
Dihydroactinidiolide	27209	-
Estrone	5870	ko00140,ko01100,ko04913,ko04917
2-Acetylpyrazine	30914	-
Lithocholic acid	9903	ko04976
Hypoxanthine	790	ko00230,ko01100,ko01232
Glycine	750	ko00120,ko00230,ko00260,ko00310,ko00440,ko00470,ko00480,ko00630,ko00730,ko00785,ko00860,ko00970,ko01100,ko01200,ko01230,ko01240,ko02010,ko04080,ko04721,ko04974,ko04978,ko05230
Dopamine	681	ko00350,ko01100,ko04024,ko04080,ko04540,ko04721,ko04728,ko04917,ko04976,ko05012,ko05030,ko05031,ko05032,ko05034
N-Acetyl-L-alanine	88064	-
Thymine	1135	ko00240,ko01100,ko01232
DL-Leucine	857	-
Serotonin	5202	ko00380,ko01100,ko04024,ko04080,ko04540,ko04721,ko04726,ko04742,ko04750,ko04976,ko05207
N-Ethylacetamide	12253	-
13-Docosenamide	5365371	-
2,2,6,6-Tetramethyl-4-piperidinone	13220	-
Phenethylamine	1001	ko00360,ko01100
LPE(18:0/0:0)	9547068	ko00564,ko00590,ko00591,ko00592,ko01100,ko04723,ko05231
FAPy-adenine	114926	-
Trans-Zeatin	449093	ko01100
Guanidinosuccinic acid	439918	-
Glu-Met	6426949	-
N-Acetyl-beta-alanine	76406	ko00410
LPC(18:0/0:0)	497299	ko00564,ko00590,ko00591,ko00592,ko01100,ko04723,ko05231
Myristoleic acid	5281119	-
20-Hydroxyecdysone	5459840	-
Inositol	892	-
N-methyl-L-glutamic Acid	439377	ko01100
2'-Hydroxy-4,4',6'-trimethoxychalcone	5355469	-
Levoglucosan	2724705	-
Methyl cinnamate	637520	-
(2E)-Decenoyl-ACP	2901	-
Tyramine	5610	ko00350,ko01100,ko01240,ko04080,ko04974
L-cystathionine	439258	ko00260,ko00270,ko01100,ko01230,ko01240
12-Ketolithocholic acid	3080612	-
MG(18:1/0:0/0:0)	5283468	ko00561,ko01100,ko04714,ko04923,ko04975,ko04977
Octopamine	4581	-
Aminocaproic acid	564	ko01100
Benzophenone	3102	-
Piperine	638024	-
Riboflavin	493570	ko00740,ko01100,ko01240,ko02010,ko04977
Glucuronic Acid	94715	ko00040,ko00053,ko00520,ko00562,ko01100,ko01240,ko01250
Sumiki's acid	80642	-
cotinine N-oxide	9815514	-
Methyl stearate	8201	-
Dehydroascorbic acid	440667	ko00053,ko00480,ko01100
Nootkatone	1268142	-
Genipin	442424	-
Quinine	3034034	ko04742,ko04976
N-Methylbenzylamine	7669	-
Indoleacetic acid	802	ko00380,ko01100
Dihydroferulic acid	14340	-
β-Alanine	239	ko00240,ko00410,ko00640,ko00770,ko01100,ko01240,ko04080,ko04974
9-Aminoacridine	7019	-
Itaconic acid	811	ko01100
Phenylalanyltyrosine	515709	-
Dihydrobiopterin	135398687	ko00790,ko01100,ko01240
2,6-Dimethylpyridine	7937	-
Maslinic acid	73659	-
Triethylenetetramine	5565	-
Glu-His	9921875	-
L-methionine sulfoxide	158980	ko00270,ko01100
Adipic acid	196	ko01100
L-Leucyl-L-alanine	81721	-
Cytidine-5'-monophosphate	6131	ko00240,ko01100,ko01232
Normetanephrine	1237	ko00350,ko01100
Cortexolone	440707	ko00140,ko01100,ko04927,ko04934
2-Hydroxycinnamic acid	637540	ko00360,ko01100
Iminodiacetic acid	8897	-
delta-Hexanolactone	13204	-
3-Hydroxybutyric acid	441	ko00650,ko01100,ko04024
Heptethylene glycol	79718	-
Tagatose	439312	ko00052,ko01100
2-Phenoxyethanol	31236	-
Dodecanedioic acid	12736	-
Isolithocholic acid	164853	-
2-Acetylfuran	14505	-
1-Phenylethanol	7409	-
Cytosine	597	ko00240,ko01100,ko01232
Allantoin	204	ko00230,ko01100
5-Methyl-2-furancarboxaldehyde	12097	-
L-Prolyl-L-methionine	7408173	-
alpha-Hydroxyisobutyric acid	11671	-
8,9-Epoxyeicosatrienoic acid	5283203	ko00590,ko01100,ko04270,ko04726,ko04750,ko04913
Selenomethionine	15103	-
2-Hydroxy-2-methylbutyric acid	95433	-
4-Methoxybenzaldehyde	31244	-
2',5'-Dihydroxyacetophenone	10279	-
1-Deoxynojirimycin	29435	-
GcNeu	123802	ko00520
2'-Deoxyuridine	13712	ko00240,ko01100,ko01232,ko02010
Hypotaurine	107812	ko00430,ko01100
Fipexide	3351	-
2,3-Dihydrobenzofuran	10329	-
Rhapontigenin	5320954	-
Arachidic acid	10467	ko01040
Phenylalanylphenylalanine	65104	-
Prostaglandin D1	5280936	-
3-(3-Methoxyphenyl)Propionic Acid	66336	-
Harmaline	3564	-
S-adenosylmethionine	34755	ko00270,ko00330,ko01100,ko01230,ko01240,ko04122,ko04148,ko05208
5-Hydroxymethyluracil	78168	-
D-Homocysteine	134603	-
Corticosterone	5753	ko00140,ko01100,ko04923,ko04925,ko05020
trans-2-Octenoic acid	5282714	-
Zerumbone	5470187	-
4-Pentenoic acid	61138	-
Prima-1	322968	-
2,4-Hexadienoic acid	643460	-
6-Methylnicotinamide	96351	-
Glucosaminic acid	73563	ko00030,ko01100
25-Hydroxyvitamin D2	5710148	-
6-Hydroxyhexanoic acid	14490	-
Erythrono-1,4-lactone	5325915	-
Biopterin	135398729	ko00790,ko01100,ko01240
Aldosterone	5839	ko00140,ko01100,ko04925,ko04960
15-keto-PGF1alpha	5283118	-
Dimethylglycine	673	ko00260,ko01100
20-HETE	5283157	ko00590,ko01100,ko04270
8-Hydroxyguanosine	135407175	-
Norambreinolide	61129	-
L-Homoarginine	9085	-
L-Tryptophanamide	439356	-
Abietic acid	10569	ko01100
Melatonin	896	ko00380,ko01100,ko04080,ko04713
Diethanolamine	8113	ko00564
Gallic acid	370	-
Lys-Asp	6426943	-
APGPR Enterostatin	3082883	-
4,4'-Methylenebis(2-methylaniline)	13283	-
Celastrol	122724	-
Lithospermoside	10065132	-
Isopentenyl pyrophosphate	1195	ko00900,ko01100,ko04216
N-Acetylcysteine	12035	-
Piperitone	6987	-
N-Methylhydantoin	69217	ko00330,ko01100
Hexylresorcinol	3610	-
(-)-alpha-Terpineol	443162	-
Ecdysone	19212	-
5-Methyluridine	445408	-
Tyrosine methylester	70652	-
Cinnamic Acid	444539	-
Phe-Pro	7020642	-
Lumazine	10250	-
Hyocholic acid	92805	-
Cyclic AMP	6076	ko00230,ko01100,ko01522,ko04010,ko04014,ko04015,ko04020,ko04022,ko04024,ko04062,ko04072,ko04114,ko04211,ko04213,ko04261,ko04270,ko04340,ko04371,ko04540,ko04611,ko04670,ko04710,ko04713,ko04714,ko04720,ko04723,ko04724,ko04725,ko04726,ko04727,ko04728,ko04740,ko04742,ko04750,ko04910,ko04911,ko04912,ko04913,ko04914,ko04915,ko04916,ko04918,ko04919,ko04921,ko04922,ko04923,ko04924,ko04925,ko04926,ko04927,ko04928,ko04934,ko04935,ko04960,ko04961,ko04962,ko04970,ko04971,ko04972,ko04976,ko05012,ko05020,ko05030,ko05031,ko05032,ko05034,ko05133,ko05142,ko05146,ko05165,ko05166,ko05200,ko05207,ko05414
Ethyl vanillin	8467	-
5-Hydroxytryptophol	9061	-
2-Phospho-D-Glyceric Acid	439278	ko00010,ko00030,ko00260,ko00561,ko00630,ko01100,ko01200,ko01230,ko04922,ko05230
Imidazolepropionic acid	70630	ko00340
Trp-Trp	88656	-
Octadecanamide	31292	-
(2E)-3-(1H-indol-2-yl)prop-2-enoic acid	15030923	-
Pelargonic acid	8158	-
Triethylene glycol monomethyl ether	8178	-
Paraxanthine	4687	ko00232,ko01100
Linoelaidic acid	5282457	-
D-Ornithine	71082	ko00470,ko01100
2-Hydroxyfluorene	75547	-
5-Methoxyindoleacetate	18986	ko00380
Glyc-Pro	79101	-
Asp-Lys	6427003	-
4-Methylcatechol	9958	ko01100
Pregnanediol	219833	ko00140,ko01100
Aminopterin	169371	-
Tosyl-L-lysine chloromethyl ketone	73094	-
5,6-Dichloro-1-beta-D-ribofuranosylbenzimidazole	5894	ko00051,ko00520,ko01100,ko01250
Arg-Ile	7009553	-
Isophorone	6544	-
Vanillic acid	8468	-
Tyrosyltyrosine	70590	-
Medroxyprogesterone	10631	-
(-)-Anabasine	205586	-
Piperazine	4837	-
Adrenosterone	223997	ko00140
Furfuryl alcohol	7361	-
LPE(16:0/0:0)	9547069	ko00564
6-Keto-prostaglandin F1alpha	5280888	ko00590,ko01100
LPC(0:0/14:0)	-	ko00564,ko00590,ko00591,ko00592,ko01100,ko04723,ko05231
Methyl nicotinate	7151	-
Dodecanoic acid	3893	ko00061,ko01100
Aflatoxin M1	15558498	ko00980
Ectoine	126041	ko00260,ko01100
2,6-di-tert-butyl-1,4-benzoquinone	12867	-
L-Palmitoylcarnitine	11953816	ko00071,ko01212
D-Proline	8988	ko00330,ko00470,ko01100
1-(9Z-octadecenoyl)-sn-glycero-3-phosphocholine	16081932	ko00564,ko00590,ko00591,ko00592,ko01100,ko04723,ko05231
L-Leucine	6106	ko00280,ko00290,ko00970,ko01100,ko01210,ko01230,ko02010,ko04150,ko04974,ko04978,ko05230
1-hexadecanoyl-2-(9Z,12Z-octadecadienoyl)-sn-glycero-3-phosphocholine	5287971	ko00564,ko00590,ko00591,ko00592,ko01100,ko04723,ko05231
Carnitine C3:0	107738	-
3-Hydroxypalmitoylcarnitine	126456228	-
Pyridine	1049	-
Diethyltoluamide	4284	-
Levocarnitine propionate	188824	-
1-Palmitoyl-2-oleoyl-sn-glycero-3-phosphocholine	5497103	ko00564,ko00590,ko00591,ko00592,ko01100,ko04723,ko05231
2-Mercaptobenzothiazole	697993	-
Carnitine C18:1	46907933	-
Bis(2-ethylhexyl) phthalate	8343	ko05207
δ-Valerolactam	12665	-
2-Methyl-1-pyrroline	70103	-
2-(((2-Ethylhexyl)oxy)carbonyl)benzoic acid	20393	-
Pantothenic acid	6613	ko00410,ko00770,ko01100,ko01240,ko04977
4,5-Dihydropiperlonguminine	12682184	-
Adenosine-3'-5'-diphosphate	159296	ko00230,ko00532,ko00534,ko00770,ko00920,ko01100
Disogluside	11827970	-
Manoalide	6437368	-
Umbelliferone	5281426	-
(2S,3S)-2-amino-3-phenylbutanoic acid	854352	-
Atractylenolide III	155948	-
DL-Pyroglutamic acid	499	-
Gentian violet cation	3468	-
Colfosceril palmitate	452110	-
Crotamiton	688020	-
3-Formylsalicylic acid	69117	-
4-Hydroxycoumarin	54682930	-
Noladin ether	6483057	ko00561,ko01100,ko04714,ko04923,ko04975,ko04977
Carnitine-2-methyl-C4	6426901	-
Bis(2-methylpropanoyloxy)-9,10-epoxy-p-mentha-1,3,5-triene	11472669	-
6-Hydroxycoumarin	99477	-
Menatetrenone	5282367	ko00130,ko01100,ko01240,ko04977
Folic acid	135398658	ko00670,ko00790,ko01100,ko01240,ko01523,ko04976,ko04977
Pulegone	442495	-
Enoxacin	3229	-
Phytosphingosine	122121	ko00600,ko01100
MG(18:0/0:0/0:0)	15560610	ko00561,ko01100,ko04714,ko04923,ko04975,ko04977
4-Hydroxy-3-methoxycinnamaldehyde	5280536	ko01100
Rimantadine	5071	-
Epigallocatechin	72277	-
Germacrone	6436348	-
Diisobutyl phthalate	6782	-
N-oleoylglycine	6436908	-
Mirtazapine	4205	-
Pseudoephedrine	7028	ko01100
4-Hydroxy-l-tryptophan	85479	-
Vincamine	15376	-
Tamsulosin	129211	-
2-Pyrrolidinone	12025	-
1,3,5-Trihydroxybenzene	359	ko01100
Lopinavir	92727	-
L-Isoleucine	6306	ko00280,ko00290,ko00970,ko01100,ko01210,ko01230,ko02010,ko04974,ko04978,ko05230
1-Aminocyclopropane-1-carboxylic acid	535	ko00270,ko01100
Fomepizole	3406	-
Ramelteon	208902	-
Isonicotinic acid	5922	ko00983
DL-3,4-Dihydroxyphenyl glycol	5307	ko00350,ko01100
Costunolide	5281437	-
Benzoylecgonine	448223	-
PC(8:0/8:0)	24779244	ko00564,ko00590,ko00591,ko00592,ko01100,ko04723,ko05231
Glycidyl oleate	5354568	-
MG(16:0/0:0/0:0)	3084463	ko00561,ko00562,ko00564,ko01100,ko04070,ko04730
2-(1-methyl-1H-imidazol-5-yl)acetic acid	6451814	-
O-Toluidine	7242	-
1-Oleoyl-2-acetyl-sn-glycerol	6437055	ko00561,ko00562,ko00564,ko01100,ko04070,ko04730
Tetraethylammonium	5413	ko04976
2-Methoxycinnamaldehyde	641298	-
N-trans-Feruloyloctopamine	24096391	-
Limonin	179651	-
Tetradecanoylcarnitine	53477791	-
Enalaprilat	5462501	-
Ginsenoside Rg3	9918693	-
Picolinamide	15070	-
8-Deoxylactucin	442196	-
Ethyl trans-2-hexenoate	5364778	-
12-Methyltridecanoic acid	520298	-
1,2-Didecanoyl-sn-glycero-3-phosphocholine	16219892	ko00564,ko00590,ko00591,ko00592,ko01100,ko04723,ko05231
1-Stearoyl-2-arachidonoyl-sn-glycero-3-phosphocholine	16219824	ko00564,ko00590,ko00591,ko00592,ko01100,ko04723,ko05231
Flurandrenolide	15209	-
Hydroxytyrosol	82755	-
Dipivefrin	3105	-
Morpholine	8083	-
Stearoylcarnitine	52922056	-
(10)-Gingerol	168115	-
Cucurbitacin I	5281321	-
Diphenidol	3055	-
Crotonic acid	637090	-
PC(O-16:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	16759366	ko00564,ko00590,ko00591,ko00592,ko01100,ko04723,ko05231
Isocitric acid	1198	ko00020,ko00630,ko01100,ko01200,ko01210,ko01230,ko01240,ko04922,ko05230
Sethoxydim	135491830	-
8,15-Dihete	53480358	-
Clomipramine	2801	-
4-Hydroxyphenylglyoxylic acid	355	ko01100
Shogaol	5281794	-
methylcarbamyl PAF	124663	ko00564,ko00590,ko00591,ko00592,ko01100,ko04723,ko05231
Desmethylclomipramine	622606	-
4-Allylphenol	68148	-
Phenformin	8249	-
Bucharaine	5338262	-
LPC(O-16:0/2:0)	108156	ko00564,ko00590,ko00591,ko00592,ko01100,ko04723,ko05231
Terbufos	25670	-
Ethyl hexadecanoate	12366	-
Pergolide	47811	-
6-Methyl-5-hepten-2-one	9862	-
2-Acetyl-3-methylpyrazine	32093	-
Docosahexaenoyl Ethanolamide	5283451	-
Monoisobutyl phthalate	92272	-
Pefloxacin	51081	-
Methoxyphenamine	4117	-
2,3,4,5-Tetrahydro-1-benzoxepin-3-one	11367177	-
C-12 NBD-dihydro-Ceramide	71311688	ko00600,ko01100,ko04071,ko04217,ko04722,ko04920,ko04931,ko04933,ko05140,ko05415
Ajmalicine	441975	ko01100
N-(9Z-octadecenoyl)-sphing-4-enine-1-phosphocholine	6443882	-
Azaperone	15443	-
Galantamine	9651	-
Obacunone	119041	-
Oxyphencyclimine	4642	-
Matairesinol	119205	ko01100
Hydroxyquinoline	1923	-
Felbamate	3331	ko00982
L-Deoxyalliin	98280	-
Norethindrone	6230	-
Reboxetine	127151	-
2-(14,15-Epoxyeicosatrienoyl) Glycerol	53481916	ko00561,ko01100,ko04714,ko04923,ko04975,ko04977
Metformin	4091	ko04152,ko04211,ko04976
Dihomo-gamma-linolenoylethanolamide	5282272	-
9-Decenal	162392	-
Praziquantel	4891	-
Glycerophospho-N-Palmitoyl Ethanolamine	53393933	ko00563,ko00564,ko01100,ko04136,ko04140,ko04723,ko05167
17beta-Estradiol 3-(beta-D-glucuronide)	440713	ko00140,ko04976
Butopyronoxyl	10760	-
Mephentermine	3677	-
Mexiletine	4178	-
Papaverine	4680	-
Melamine	7955	-
1,2-Dilinoleoyl-SN-glycero-3-phosphocholine	5288075	ko00564,ko00590,ko00591,ko00592,ko01100,ko04723,ko05231
Ethoxzolamide	3295	-
2(5H)-Furanone	10341	-
Dihydroberberine	10217	-
xi-5-Dodecanolide	12844	-
Laudanosine	15548	-
3-Amino-2-oxazolidone	65725	-
Glutaminylalanine	9813211	-
Haloperidol	3559	-
Benzidine	7111	-
Solasodine	442985	-
Hydrocodone	5284569	-
Myosmine	442649	-
Acetohexamide	1989	-
Isocarbamid	35699	-
2-Hydroxypyridine	8871	-
5alpha-Androstane-3alpha,17beta-diol	15818	-
Nivalenol	5284433	-
Acetylcholine	187	ko00564,ko04024,ko04080,ko04721,ko04725,ko04742,ko04810,ko04911,ko04970,ko04971,ko04972,ko04976,ko05022,ko05033
Metoprolol	4171	-
Pentostatin	439693	-
Capsidiol	161937	-
Chymostatin	443119	-
1-O-Hexadecyl-2-O-ethyl-SN-glycero-3-phosphorylcholine	24779410	ko00564,ko00590,ko00591,ko00592,ko01100,ko04723,ko05231
C22 Sphingomyelin	44260125	-
cis-11-Methyl-2-dodecenoic acid	11469920	-
Pyracarbolid	32597	-
Dehydropipernonaline	6439947	-
Dihydro-3-methyl-2(3H)-furanone	98323	-
Kojic acid	3840	-
Tetrahydropalmatine	72301	-
Ergocornine	73453	-
Pentamidine	4735	-
1,2-Ethylenediphosphonic acid	80247	-
Terbinafine	1549008	-
Angiotensin I/II (5-8)	9806448	ko04614
Betamipron	71651	-
Ethylmorphine	5359271	-
Sarsasapogenin	92095	-
Cyclopamine	442972	-
Cycloheximide	6197	-
2-Octenoic acid, ethyl ester	5364399	-
3',4'-Dihydroxyacetophenone	14530	-
Benthiavalicarb-isopropyl	53297381	-
2-benzyl-4-(octahydro-1H-isoindol-2-yl)-4-oxobutanoic acid	3047758	-
Anethole	637563	-
Betaine aldehyde	249	ko00260,ko01100
2-Hydroxyquinoline	6038	-
Glucovanillin	6452133	-
3',4'-Dimethoxyacetophenone	14328	-
1-O-Hexadecyl-sn-glycero-3-phosphocholine	162126	ko00564,ko00590,ko00591,ko00592,ko01100,ko04723,ko05231
Furazolidone	5323714	-
Methylthiouracil	667493	-
Dimethyl succinate	7820	-
Gnoscopine	4544	-
Forchlorfenuron	93379	-
Vitamin K	5280483	ko00130,ko01100,ko01240,ko04977
Meropenem	441130	-
Dihydro-5-propyl-2(3H)-furanone	7742	-
Pristanic acid	123929	-
Ethephon	27982	-
(8)-Gingerol	168114	-
p-Hydroxybenzalacetone	796857	-
Imiquimod	57469	-
Scopoletin	5280460	-
Altretamine	2123	-
Convolamine	420422	-
Isobavachalcone	5281255	-
Alfentanil	51263	-
TG(8:0/8:0/8:0)	10850	-
Nizatidine	3033637	-
Pectolinarigenin	5320438	-
Bisdemethoxycurcumin	5315472	-
Isofraxidin	5318565	-
1,3-Benzenediol	5054	-
(R)-ar-Turmerone	558221	-
Dehydrocostus lactone	73174	-
2,8-Quinolinediol	97250	-
Piperonyl sulfoxide	8442	-
alpha-Dimorphecolic acid	5312830	ko00591,ko03320
Naphazoline	4436	-
2-Deoxy-2,3-dehydro-n-acetyl-neuraminic acid	65309	-
alpha-Ergocryptine	134551	-
Trazodone	5533	-
Astemizole	2247	-
[(2R,3R,4S,5S,6R)-2-[(1R,2Z,3S,4R,5S)-2-(cyanomethylidene)-3-hydroxy-4,5-dimethoxycyclohexyl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl] (Z)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate	6442644	-
Clozapine	135398737	-
Tamoxifen	2733526	ko00982
Trileucine	82546	-
2-(Octylthio)ethanol	19079	-
Calcipotriol	5288783	-
Oxoamide	436	-
Ciclesonide	6918155	-
Bepridil	2351	-
Deltaline	441728	-
(+)-Penbutolol	162302	-
Quinoline	7047	-
Nandrolone decanoate	9677	-
Isoniazid	3767	ko00983
Trimethoprim	5578	-
Neopine	5462437	-
2,4-Diaminobutyric acid	470	-
Isopropalin	36606	-
Fumitremorgin C	403923	-
Diethylpropion	7029	-
Valsartan	60846	-
Daidzin	107971	ko01100
Tetradecanal	31291	-
PC(O-16:0/20:5(5Z,8Z,11Z,14Z,17Z))	10485310	ko00564,ko00590,ko00591,ko00592,ko01100,ko04723,ko05231
L-Argininosuccinic acid	16950	ko00220,ko00250,ko01100,ko01230
Methylergonovine	8226	-
1-hexadecanoyl-2-(9Z,12Z-octadecadienoyl)-sn-glycero-3-phosphoethanolamine	9546747	ko00563,ko00564,ko01100,ko04136,ko04140,ko04723,ko05167
1,2-Dimyristoyl-sn-glycero-3-phosphocholine	5459377	ko00564,ko00590,ko00591,ko00592,ko01100,ko04723,ko05231
Sotalol	5253	-
2-trans,6-trans-Farnesal	5280598	ko00900
Luffariellolide	5387248	-
Nortriptyline	4543	-
9-Hexadecenoic acid	5282745	-
Alantolactone	72724	-
Epigallocatechin gallate	65064	ko04152
Ketotifen	3827	-
Apocarotenal	5478003	-
Carvyl acetate	7335	-
3-Methylbenzyl alcohol	11476	ko01100
Conessine	441082	-
Salmeterol	5152	-
N-nitrosodimethylamine	6124	ko05204
Schradan	9037	-
Acetoacetic acid	96	ko00280,ko00310,ko00350,ko00650,ko01100
Telmisartan	65999	-
Capecitabine	60953	ko00983
Ergosterol peroxide	5351516	-
2-Aminobenzoic acid	227	ko00380,ko00400,ko01100,ko01230
Metyrapone	4174	-
Chlormequat	13837	-
Butorphanol	5361092	-
Minocycline	54675783	-
Temozolomide	5394	-
Cyclohexanol, 4-methyl-3-[(2E)-2-[(1R,3aS,7aR)-octahydro-7a-methyl-1-[(1R,2E,4R)-1,4,5-trimethyl-2-hexen-1-yl]-4H-inden-4-ylidene]ethylidene]-, (1S,3E,4S)-	46173763	-
Doxercalciferol	5281107	-
Quinaprilat	107994	-
Fenoterol	3343	-
Mycophenolate mofetil	5281078	-
Rufloxacin	58258	-
Cyclopentolate	2905	-
Ampicillin	6249	-
Azelaoyl PAF	17757205	ko00564,ko00590,ko00591,ko00592,ko01100,ko04723,ko05231
Esmolol	59768	-
Paullinic acid	5312518	-
Ferulic acid	445858	ko01100
N-Methylputrescine	439791	ko01100
Fexofenadine	3348	ko04976
Clofibrate	2796	ko05207
(2r)-3-(Hexadecyloxy)-2-methoxypropyl 2-(trimethylammonio)ethyl phosphate	127599	ko00564,ko00590,ko00591,ko00592,ko01100,ko04723,ko05231
Linalyl acetate	8294	-
2,4,5-Trimethoxybenzaldehyde	20525	-
Dihydrouracil	649	ko00240,ko00410,ko00770,ko01100
1-Myristoyl-2-stearoyl-sn-glycero-3-phosphocholine	131150	ko00564,ko00590,ko00591,ko00592,ko01100,ko04723,ko05231
Fludrocortisone acetate	225609	-
Azacitidine	9444	-
Imatinib	5291	-
2-Dodecenal	5283361	-
Geranyl acetate	1549026	-
Busulfan	2478	-
5,5-Dimethyl-2(5H)-furanone	29909	-
N-(1,3-Dihydroxyoctadecan-2-YL)-6-[(7-nitro-2,1,3-benzoxadiazol-4-YL)amino]hexanamide	53393951	ko00600,ko01100,ko04071,ko04217,ko04722,ko04920,ko04931,ko04933,ko05140,ko05415
Dichlofenthion	7328	-
Pirimicarb	31645	-
Glu-glu	439500	-
Flurazepam	3393	-
LPE(18:2/0:0)	52925130	ko00563,ko00564,ko01100,ko04136,ko04140,ko04723,ko05167
3,4-Dihydroxy-5-methoxybenzoic acid	19829	-
Fluometuron	16562	-
Leukotriene B4 ethanolamide	5283127	-
10E,12Z-Octadecadienoic acid	5282800	-
Geranyllinalool	5365872	-
Gingerol	3473	-
1-O-Hexadecyl-lyso-sn-glycero-3-phosphocholine	3983	ko00564,ko00590,ko00591,ko00592,ko01100,ko04723,ko05231
1-Stearoyl-2-linoleoyl-sn-glycero-3-phosphoethanolamine	9546749	ko00563,ko00564,ko01100,ko04136,ko04140,ko04723,ko05167
3-Penten-2-one	637920	-
Methyl 2-octynoate	8092	-
Dimethyl suberate	15611	-
Hydroquinone	785	ko00350,ko01100,ko05208
Linezolid	441401	-
L-Arabitol	439255	ko00040,ko01100
Monocrotophos	5371562	-
Colchicine	6167	-
3-Dehydrosphinganine	439853	ko00600,ko01100
Dexrazoxane	71384	-
Nitrofurantoin	6604200	-
7-Ethyl-10-(4-N-aminopentanoic acid)-1-piperidino)carbonyloxycamptothecin	10077584	-
Ketoprofen	3825	-
Isoquinoline	8405	-
xi-Dihydro-5-octyl-2(3H)-furanone	16821	-
7alpha-Hydroxycholesterol	107722	ko00120,ko01100
Cabergoline	54746	-
Fasciculic acid C	45783123	-
2-Methylbenzyl alcohol	6994	ko01100
1H-Imidazol-1-ylacetic acid	71771693	-
N-Nitroso-pyrrolidine	13591	-
Demeton-S-methyl	13526	-
Dexamisole	66374	-
Ercalcitriol	9547243	-
Camphene	6616	-
Erythorbic acid	54675810	-
Diosgenin	99474	-
Nabumetone	4409	-
Ginkgolide B	65243	-
Geranylgeraniol	5281365	-
1-O-Octadecyl-2-O-methyl-sn-glycero-3-phosphocholine	6918215	ko00564,ko00590,ko00591,ko00592,ko01100,ko04723,ko05231
Octadecylamine	15793	-
13,14-Dihydro PGE1	161273	-
1-Phenyl-1,3-eicosanedione	94050	-
Mycophenolic acid	446541	-
Euscaphic acid	471426	-
Moschamine	5969616	-
Tau-fluvalinate	91768	-
Selegiline	26757	-
6-Butyltetrahydro-2H-pyran-2-one	18698	-
Mitoxantrone	4212	-
Clotrimazole	2812	-
Pranlukast	4887	-
4-(Methylsulfanyl)-2-oxobutanoic acid	473	ko00270,ko00470,ko01100,ko01210
Isoprothiolane	39681	-
4-Methoxycinnamaldehyde	641294	-
Echinocystic acid	73309	ko01100
Angiotensin IV	123814	ko04614
Quinone	4650	ko05208
Buprenorphine	644073	-
Simeconazole	10085783	-
Pheniramine	4761	-
9-Octadecenal	5283381	-
Nitrofurazone	5447130	-
Salbutamol	2083	-
Myricitrin	5281673	-
Methyl 1,4a-dimethyl-6-methylidene-5-[2-(2-oxo-2,5-dihydrofuran-3-yl)ethyl]-decahydronaphthalene-1-carboxylate	14845503	-
Guaifenesin	3516	-
Glyburide	3488	-
Eletriptan	77993	-
Chelidonine	197810	-
Dyphylline	3182	-
Voriconazole	71616	-
Angelicin	10658	-
Flucytosine	3366	-
(S)-(+)-2-Hydroxy-3-methylbutyric acid	853180	-
Thiethylperazine	5440	-
Ethosuximide	3291	-
Ursolic acid	64945	-
Atazanavir	148192	-
Secoisolariciresinol	65373	ko01100
Ranitidine	3001055	-
24(S)-hydroxycholesterol	121948	ko00120
[2-(3,5-Dimethoxy-4-hydroxycinnamoyloxy)ethyl]trimethylaminium	89287	-
Cucurbitacin E	5281319	-
Carbophenothion	13081	-
Diltiazem	39186	-
Octanal	454	-
Procarbazine	4915	-
LPC(0:0/16:0)	15061532	ko00564,ko00590,ko00591,ko00592,ko01100,ko04723,ko05231
5,8,11-Eicosatrienoic acid	5312531	-
Phlorizin	6072	-
Yohimbine	8969	-
Betaxolol	2369	-
8-Demethyl-8-(dimethylamino)riboflavin	49867612	ko01100
Alitretinoin	449171	ko00830,ko01100,ko03320,ko04672,ko04920,ko05200,ko05222,ko05223,ko05226
Dolasetron	3033818	-
MET-enkephalin	443363	-
Cyanophos	17522	-
Ile-Met	7020106	-
4,4'-Dichlorobenzophenone	7034	-
PS(18:0/20:4)	24779545	-
Exemestane	60198	-
Irinotecan	60838	ko00983
Eicosadienoic acid	6439848	ko01040
p-Coumaroyltyramine	5372945	-
trans-Sulindac	1548885	-
Chlorbufam	16073	-
Difenzoquat	39425	-
Diazoxide	3019	-
Chloramphenicol	5959	-
Methyl linoleate	5284421	-
2-Acetyl-3-ethylpyrazine	61918	-
Stearoylethanolamide	27902	-
21-Deoxycortisol	92827	ko00140
Psoralen	6199	-
Rubemamine	1042026	-
Mitraphylline	94160	-
Darifenacin	444031	-
Malvidin	159287	-
Benzyl isothiocyanate	2346	-
Irbesartan	3749	-
1-Hexacosene	29303	-
Mefenamic acid	4044	-
Fraxidin	3083616	-
Polytuftsin	156080	-
N-Acetylarylamine	904	-
Ebastine	3191	-
Atorvastatin	60823	-
Amiodarone	2157	-
Amodiaquine	2165	-
Prolyl-Histidine	9856353	-
Aurantio-obtusin	155011	-
Finasteride	57363	-
Metaxalone	15459	-
Ergocristine	31116	-
Vaccinoside	56776351	-
Terfenadine	5405	-
1-Acetylisatin	11321	ko00380
Perindopril	107807	-
Amikacin	37768	-
3-[(1-Carboxyvinyl)oxy]benzoic acid	23844017	ko00130,ko01100,ko01240
Asclepin	441844	-
Cyperine	182142	-
10-Formyldihydrofolate	135398690	-
Nonoxynol-9	72385	-
Armillarin	134206	-
1,2,3,4-Tetrahydro-b-carboline-1,3-dicarboxylic acid	151564	-
Aminopentol	21119850	-
Zedoarondiol	14632997	-
(3Z,6Z,9Z)-dodecatrienol	5281129	-
1-[(1Z)-hexadecenyl]-2-[(9Z)-octadecenoyl]-sn-glycero-3-phosphocholine	24779384	ko00564,ko00590,ko00591,ko00592,ko01100,ko04723,ko05231
LPC(16:1/0:0)	24779461	ko00564,ko00590,ko00591,ko00592,ko01100,ko04723,ko05231
Dioleoylphosphatidylcholine	5364680	ko00564,ko00590,ko00591,ko00592,ko01100,ko04723,ko05231
1,4-Naphthoquinone	8530	ko00980
3-Hydroxycoumarin	13650	-
N-Hydroxy-L-asparagine	97663	-
N-retinylidene-N-retinylethanolamine	11007064	-
L-Propargylglycine	168091	ko01100
Gossypetin 8-glucuronide 3-sulfate	73829986	-
Cerebroside B	10010147	-
(2S)-2-methyl-4-[(2R,12R,15R)-2,12,15-trihydroxy-15-[(5R)-5-[(1S)-1-hydroxytridecyl]oxolan-2-yl]pentadecyl]-2H-furan-5-one	177320	-
Pregabalin	5486971	-
4-Ethylphenol	31242	-
2-Phytyl-1,4-naphthoquinone	56927684	-
Thioetheramide PC	10259407	-
Ganodosterone	13916720	-
Sulcotrione	91760	-
Prednisolone tebutate	93055	-
Novaluron	93541	-
3-Hydroxy-10'-apo-b,y-carotenal	87443544	-
PA(P-16:0/18:2(9Z,12Z))	52929743	ko00565,ko01100
Toluene	1140	ko01100
2-Ethyl-4-hydroxy-5-methyl-3(2H)-furanone	33931	-
(3S)-2-oxo-3-phenylbutyric acid	172232370	ko00400,ko01100,ko01210
Octahydro-2,5,5,8a-tetramethyl-7H-1-benzopyran-7-one	539850	-
Piperidine acid	439227	-
3-Hydroxytetradecanedioic acid	20848956	-
Kynuramine	9692	-
Methyl beta-D-galactopyranoside	94214	ko02010
p-Coumaroylagmatine	5280691	ko01100
1,5-Diazabicyclo[4.3.0]non-5-ene	76349	-
Polyethylene, oxidized	24847855	-
Triethyl citrate	6506	-
4,5-Dihydrovomifoliol	23136584	-
3-Hydroxymugineic acid	194573	-
Amphetamine	3007	-
1,3-Diisopropylbenzene	7450	-
(E)-2-Butenyl-4-methyl-threonine	5282047	-
2,2-Dichloropropionic acid	6418	-
Clitidine	182378	-
juvenile hormone III	5281523	-
12-HOME	5312769	-
1-(1Z-octadecenyl)-2-(4Z,7Z,10Z,13Z,16Z,19Z-docosahexaenoyl)-sn-glycero-3-phosphoethanolamine	42607458	ko00563,ko00564,ko01100,ko04136,ko04140,ko04723,ko05167
5-Methylthiopentanaldoxime	25010757	ko01210
Dibasic sodium phosphate	24203	-
Nopol	31408	-
2-(3-Phenylpropyl)tetrahydrofuran	62490	-
alpha-Butyl-omega-hydroxypoly(oxyethylene) poly(oxypropylene)	24838540	-
Thermospermine	194365	-
9,10,13-Trihydroxystearic acid	45359277	-
Citrulline	9750	ko00220,ko01100,ko01230
Armillaricin	131752426	-
Chlorphenesin	7697	-
Spirilloxanthin	5366506	ko01100
Alpinine	442162	-
LPC(0:0/20:4)	52924038	ko00564,ko00590,ko00591,ko00592,ko01100,ko04723,ko05231
Chloroform	6212	-
Benzyl methyl disulfide	12779	-
Lactucaxanthin	5281242	-
Ethanethioic acid, S-[1-methyl-1-[(1R,4R)-4-methyl-2-oxocyclohexyl]ethyl] ester	92649	-
(S)-3-Octanol glucoside	22269604	-
2-Hydroxydecanedioic acid	128458	-
Nepafenac	151075	-
3-(pyrazol-1-yl)-L-alanine	151491	-
4-Hydroxystyrene	62453	-
3'-N-Acetyl-4'-O-(14-methylpentadecanoyl)fusarochromanone	101420967	-
3-Hydroxypropanal	75049	ko00561
4,6,9-Trimethyl-3,5,8,10-tetraoxadodecane	5362566	-
N-(1-Deoxy-1-fructosyl)leucine	131752244	-
Tetramethylsilane	6396	-
beta-Carotene	5280489	ko00830,ko01100,ko01240,ko04977
1-Chloro-2-methylpropene	10555	-
Glycerol 1-(5-hydroxydodecanoate)	175553	ko00561,ko01100,ko04714,ko04923,ko04975,ko04977
Cyclopentanethiol	15510	-
2-Hydroxy-2-methylpropanal	88703	-
PE(P-16:0/18:2(9Z,12Z))	52925127	ko00563,ko00564,ko01100,ko04136,ko04140,ko04723,ko05167
Dimethyl fumarate	637568	-
Hexanoylglycine	99463	-
3,4-Didehydrorhodopin	16061249	ko01100
1,1'-[1,12-Dodecanediylbis(oxy)]bisbenzene	11051218	-
Navenone B	11042375	-
3-Buten-1-ol	69389	-
1-Butanol	263	ko00650,ko01100
DL-Methionine	876	-
Galegine	10983	-
Actinorhodin	441143	-
Acesulfame	36573	-
1,2-Ethanedithiol	10902	-
Mepiquat chloride	62781	-
Isorenieratene	9984420	-
Perindopril erbumine	441313	-
Acyclovir	135398513	ko04976
N-Palmitoyldihydrosphingomyelin	9939965	-
2,3-Dihydropyrimidin-4-amine	135398678	-
FFA(10:1)	61743	-
Glycerol	753	ko00040,ko00052,ko00561,ko01100,ko02010,ko04714,ko04723,ko04923
2,6-Di-tert-butyl-4-ethylphenol	20087	-
Methylmalonic Acid	487	ko00240,ko00280,ko00640,ko01100
Deethylatrazine	22563	-
12-Tridecene-4,6,8,10-tetraynal	85775343	-
Methylcyclopentane	7296	-
2,5-Dimethyl-3(2H)-furanone	85730	-
Tizanidine hydrochloride	114869	-
2-(4-Bromophenoxy)ethanamine	16764930	-
Sodium polystyrene sulfonate	75905	-
20-Hydroxy-leukotriene E4	5280606	ko00590
Perillartine	5365782	-
Methyl 3-methyl-2-oxopentanoate	545106	-
7-Methoxycoumarin	10748	-
4-Methylene-L-proline	152301	-
4-Nitrobiphenyl	7114	-
Diallyl sulfide	11617	-
2,3,4,5-Tetrahydroxypentanoic acid	10264	-
N,N,N-Trimethyl-Histidine	440727	ko00340,ko01100
Vomifoliol	5280462	-
Shikimic Acid	8742	ko00400,ko01100,ko01230,ko01240
Thiodiglycol	5447	-
Agroclavine	73484	-
Muricatocin B	133072	-
Indecainide	52195	-
N-Phenylacetylphenylalanine	47579	-
4-Pyridoxic acid	6723	ko00750,ko01100
2-Amino-5-chlorophenol	91591	-
3-Phenylpropyl isothiocyanate	75815	-
1-Cyano-2-hydroxy-3-butene	91586	-
Indolepyruvate	803	ko00380,ko01100
O-ureido-D-serine	185742	ko01100
2-Propylthiophene	73771	-
3,4-Dihydroxybenzylamine	91623	-
5-Methylangelicin	62267	-
2-Amino-3-cyclohexylpropan-1-ol	4068950	-
Sarmentosin epoxide	441472	-
Hexamethylene bisacetamide	3616	-
Tsugaric acid A 21-glucosyl ester	85124571	-
2-Methoxy-5-nitroaniline	7447	-
Diallyl disulfide	16590	-
Citraconic Acid	643798	ko00290,ko01100,ko01210
Thioproperazine	9429	-
Cholest-5-en-3beta-yl nonadecanoate	14274981	ko00100,ko04148,ko04913,ko04975,ko04976,ko04977,ko04979,ko05417
Tridihexethyl	20299	-
2-Thiopheneacetonitrile	72880	-
Deterrol stearate	57473060	-
1-nitrosonaphthalene	30767	ko00980
Sulforaphane	5350	-
Aminoglutethimide	2145	-
Leu-Ile	7010533	-
Polygodial	72503	-
Enantio-PAF C-16	2499	ko00564,ko00590,ko00591,ko00592,ko01100,ko04723,ko05231
(8R,9R,10R,13S,14R,17R)-13-ethyl-17-ethynyl-17-hydroxy-1,2,6,7,8,9,10,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-one	12598310	-
PAz-PC	46907870	ko00564,ko00590,ko00591,ko00592,ko01100,ko04723,ko05231
(1E,6R,11R,13R,14S,15S,19E,21E,23S,27R)-27-hydroxy-23-[(1S)-1-hydroxyethyl]-9,15-dimethylspiro[4,12,17,24-tetraoxapentacyclo[21.3.1.113,16.06,11.06,15]octacosa-1,9,19,21-tetraene-14,2'-oxirane]-3,18-dione	56928155	-
psi-Pelletierine	11096	-
TG(10:0/10:0/10:0)	69310	ko00561,ko01100,ko04714,ko04923,ko04931,ko04975,ko04977,ko04979,ko05417
Heneicosanoic acid	16898	-
3''-Chloro-3''-deoxytriphasiol	101925925	-
4-(5-Hydroxy-2-methyl-2-azabicyclo[2.2.2]octan-5-yl)-3-methylbutanoic acid	10060255	-
N-[(4E,8Z)-1,3-dihydroxyoctadeca-4,8-dien-2-yl]hexadecanamide 1-glucoside	14522366	-
[2-hydroxy-3-[(9Z,12Z)-octadeca-9,12-dienoyl]oxypropyl] 2-(trimethylazaniumyl)ethyl phosphate	11988421	ko00564,ko00590,ko00591,ko00592,ko01100,ko04723,ko05231
Hexadecylamine	8926	-
LPE(14:0/0:0)	9547070	ko00563,ko00564,ko01100,ko04136,ko04140,ko04723,ko05167
Phosphocholine	1014	ko00564,ko01100,ko05231
TRIETHYL PHOSPHATE	6535	-
Pentadecylamine	17386	-
2-Phenylglycine	3866	-
1-Naphthylamine	8640	ko00980
Tetraethylene glycol	8200	-
2-Amino-2-methyl-1,3-propanediol	1531	-
3-Guanidinopropionic acid	67701	-
Dimethylurea	7293	ko00232
Ethisterone	5284557	-
P-Toluenesulfonamide	6269	-
2,3-Dimethylmaleic anhydride	13010	-
p-Synephrine	7172	-
1-(9Z-octadecenoyl)-sn-glycero-3-phospho-(1'-sn-glycerol)	9547135	ko00564,ko01100
Glycerol Tributyrate	6050	-
7-Nitroindazole	1893	-
5,6-Dihydroxyindole-2-carboxylic acid	119405	ko00350,ko01100
5-fluoroindole-2-carboxylic acid	1820	-
Ureidosuccinic acid	93072	ko00240,ko00250,ko01100,ko01240
Tyrphostin 23	2052	-
D-Kynurenine	846	-
Tyr-Cys	18642383	-
Alanylarginine	9964828	-
4-Amino-5-hydroxymethyl-2-methylpyrimidine	777	ko00730,ko01100,ko01240,ko02010
4-Nitrocatechol	3505109	-
Carbazole	6854	ko01100
(R)-Sulcatol	20745	-
4-Chloroaniline	7812	-
2-(N-Morpholino)ethanesulfonic acid	78165	-
Isovanillic acid	12575	-
Trp-His	10154381	-
2H-Pyran-2-one, tetrahydro-4-hydroxy-4-methyl-, (R)-	10428	-
Caffeine	2519	ko00232,ko01100
Isonicotinamide	15074	-
1-Oleoyl-2-palmitoyl-sn-glycero-3-phosphocholine	24778933	ko00564,ko00590,ko00591,ko00592,ko01100,ko04723,ko05231
2-Aminopropiophenone	107786	-
1-Stearoyl-2-myristoyl-sn-glycero-3-phosphocholine	3082163	ko00564,ko00590,ko00591,ko00592,ko01100,ko04723,ko05231
1-Palmitoyl-2-docosahexaenoyl-sn-glycero-3-phosphocholine	6441886	ko00564,ko00590,ko00591,ko00592,ko01100,ko04723,ko05231
Myristoylcarnitine	6426854	-
1-Deoxyvaleric-acid	71448993	ko01100
alpha-Ionone	5282108	-
Dioctyl phthalate	8346	-
Diaveridine	21453	-
N-(2-hydroxyethyl)icosanamide	3787294	-
1,3-Dicyclohexylurea	4277	-
LPC(0:0/22:5)	165415626	ko00564,ko00590,ko00591,ko00592,ko01100,ko04723,ko05231
Dimethyl phthalate	8554	-
2-[(4-{2-[(4-Cyclohexylbutyl)(cyclohexylcarbamoyl)amino]ethyl}phenyl)sulfanyl]-2-methylpropanoic acid	3392731	-
Spermidic acid	2572	-
3-Methylmethcathinone	71741532	-
Dazomet	10788	-
PC(P-18:0/20:4(5Z,8Z,11Z,14Z))	24779390	ko00564,ko00590,ko00591,ko00592,ko01100,ko04723,ko05231
Histidinol	776	-
1-(1Z-octadecenyl)-2-(4Z,7Z,10Z,13Z,16Z,19Z-docosahexaenoyl)-sn-glycero-3-phosphocholine	42607430	ko00564,ko00590,ko00591,ko00592,ko01100,ko04723,ko05231
5,5-Dimethyl-1-pyrroline N-oxide	1774	-
Nipecotic acid	4498	-
Diisooctyl phthalate	33934	-
1-hexadecyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphoethanolamine	42607455	ko00563,ko00564,ko01100,ko04136,ko04140,ko04723,ko05167
Palmitoylcarnitine	461	-
D-Camphor	2537	-
1-(Ammoniomethyl)cycloheaxaneacetate	6919078	-
VERBENONE	29025	-
1-O-Hexadecyl-2-arachidonoyl-sn-glycero-3-phosphocholine	6443139	-
(2S,4S)-1-Acetoxy-16-heptadecene-2,4-diol	25107527	-
Bisphenol A	6623	ko01100,ko05207
Aminoguanidine	2146	-
N-Desmethyl tapentadol	71159880	-
1-Naphthalenyl[4-(pentyloxy)-1-naphthalenyl]methanone	9799417	-
2,2,4-Trimethyl-1,3-pentanediol diisobutyrate	23284	-
Hexazinone	39965	-
Aspartylcysteine	18218191	-
1,2-Dimyristoleoyl-sn-glycero-3-phosphocholine	24778648	ko00564,ko00590,ko00591,ko00592,ko01100,ko04723,ko05231
1,2-Dierucoyl-sn-glycero-3-phosphocholine	24779126	ko00564,ko00590,ko00591,ko00592,ko01100,ko04723,ko05231
4-Hydroperoxy-2-nonenal	6435432	-
Dihydrorhodamine 123	105032	-
Osthole	10228	-
(R)-3-hydroxybutyrylcarnitine	90659885	-
Vitamin E	14985	ko00130,ko01100,ko01240,ko04216,ko04977
(1R,4R,5R)-2-methyl-5-[(2S)-6-methylhept-5-en-2-yl]cyclohex-2-ene-1,4-diol	124356022	-
Fenethylline	19527	-
Flubendazole	35802	-
2-Ethylhexyl diphenyl phosphate	14716	-
Sdccgsbi-0051046.P002	2723877	-
Cetaben	47263	-
Dropropizine	3169	-
1,2-Docosahexanoyl-sn-glycero-3-phosphocholine	24779134	ko00564,ko00590,ko00591,ko00592,ko01100,ko04723,ko05231
Etilamfetamine	9982	-
2-Amino-6-methoxypurine	65275	-
1-(1Z-octadecenyl)-2-(9Z-octadecenoyl)-sn-glycero-3-phosphocholine	42607428	ko00564,ko00590,ko00591,ko00592,ko01100,ko04723,ko05231
Nantenine	197001	-
Oxyphenonium	5749	-
Citromitin	12303287	-
Syringaldehyde	8655	-
Pro-Thr	18218237	-
1,2-Dimyristoyl-sn-glycero-3-phospho-l-serine	91746198	-
Nicotine	89594	ko00760,ko00980,ko01100,ko04714,ko05033,ko05207
Fluphenazine sulfoxide	3036919	-
2-Aminoindan	76310	-
1,2-Dipentadecanoyl-sn-glycero-3-phosphocholine	24778654	ko00564,ko00590,ko00591,ko00592,ko01100,ko04723,ko05231
Buprofezin	50367	-
4-Chlorophenylbiguanide	19933	-
1-Stearoyl-2-docosahexanoyl-sn-glycero-3-phosphocholine	52923691	ko00564,ko00590,ko00591,ko00592,ko01100,ko04723,ko05231
PE-NMe2(16:0/16:0)	9547021	-
PC(20:5(5Z,8Z,11Z,14Z,17Z)/20:5(5Z,8Z,11Z,14Z,17Z))	52923375	ko00564,ko00590,ko00591,ko00592,ko01100,ko04723,ko05231
1-Myristoyl-2-palmitoyl-sn-glycero-3-phosphocholine	129657	ko00564,ko00590,ko00591,ko00592,ko01100,ko04723,ko05231
3'-Hydroxy Repaglinide(Mixture of Diastereomers)	46781896	-
PE-NMe(18:1(9Z)/18:1(9Z))	9547032	ko00563,ko00564,ko01100,ko04136,ko04140,ko04723,ko05167
Sulindac sulfide	5352624	-
Hexetidine	3607	-
TRIMETAZIDINE	21109	-
2-Hydroxydesipramine	121249	-
Xylazine	5707	-
1-octadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphoserine	9547087	ko00564,ko00590,ko00591,ko00592,ko01100,ko04723,ko05231
Gabexate	3447	-
alphaS-Amino-2-[[4S-amino-4-carboxybutyl]amino]-4H-imidazo[4,5-b]pyridine-4-hexanoic acid	21888923	-
2-Hydroxyibuprofen	10443535	-
N-(3-(Aminomethyl)benzyl)acetamidine	1433	-
1-Tetracosanoyl-sn-glycero-3-phosphocholine	24779481	ko00564,ko04148,ko05231
Clopidol	18087	-
4-Oxo-2-nonenal	6445537	-
Tyr-Phe	3421919	-
Talwin	4736	-
5-(1,1-Dimethylheptyl)-2-[5-hydroxy-2-(3-hydroxypropyl)cyclohexyl]phenol	4412255	-
1,1,6-Trimethyltetralin	68057	-
1-hexadecanoyl-2-(4Z,7Z,10Z,13Z,16Z,19Z-docosahexaenoyl)-sn-glycero-3-phosphoethanolamine	9546799	ko00563,ko00564,ko01100,ko04136,ko04140,ko04723,ko05167
Disopyramide	3114	-
Arachidonoyl PAF C-16	14389476	ko00564,ko00590,ko00591,ko00592,ko01100,ko04723,ko05231
2-[4-[2-[(2,4-Difluorophenyl)carbamoyl-heptylamino]ethyl]phenyl]sulfanyl-2-methylpropanoic acid	9870304	-
2-Propanamine, 2-methyl-N-(phenylmethylene)-, N-oxide	638877	-
3-Ethylphenol	12101	-
Etofenamate	35375	-
4beta-Hydroxycholesterol	3247060	-
1,2-di-[(11Z)-eicosenoyl]-sn-glycero-3-phosphocholine	24779063	ko00564,ko00590,ko00591,ko00592,ko01100,ko04723,ko05231
9,10-Epoxystearic acid	15868	-
LPE(16:1/0:0)	52925129	ko00563,ko00564,ko01100,ko04136,ko04140,ko04723,ko05167
Valeryl-4-hydroxyvalsartan	9911647	-
Miltefosine	3599	-
Bamethan	2292	-
7-Hydroxychlorpromazine	16414	-
2-Phenylethanol	6054	ko00360
isovaleryl-Val-Val-Sta(3xi,4xi)-Ala-Sta(3xi,4xi)-OH	5462227	-
6,10,14-Trimethylpentadecan-2-one	10408	-
1-Heptadecanoyl-sn-glycero-3-phosphoethanolamine	52925149	ko00563,ko00564,ko01100,ko04136,ko04140,ko04723,ko05167
Isopalmitic acid	36247	-
Naftidrofuryl	4417	-
O-Methylisourea	75544	-
2-(2-Methoxyphenyl)-1-(1-pentylindol-3-yl)ethanone	44397540	-
(+)-Nicotine	942	-
3,3'-Dimethylbenzidine	8413	-
Bindarit	71354	-
Tiopronin	5483	-
Fendiline	3336	-
13,14-Dihydro PGF-1a	5311239	-
Dicyclohexylamine	7582	-
1-Phenylpiperazine	7096	-
Leucyl-leucyl-tyrosine	88513	-
Propyzamide	32154	-
N-tridecanoylglycine	45357453	-
6'-Methoxycinchonan-9-ol	1065	-
Phytol	5366244	-
Fluchloralin	36392	-
Hydroxyomeprazole	119560	-
1-(1Z-octadecenyl)-sn-glycero-3-phosphocholine	24779527	ko00564,ko00590,ko00591,ko00592,ko01100,ko04723,ko05231
Kanamycin	6032	ko00524
(Z)-7-[(2R)-3,5-dihydroxy-2-[(E)-3-hydroxy-5-phenylpent-1-enyl]cyclopentyl]-N-ethylhept-5-enamide	46780805	-
Parecoxib	119828	-
2-hydroxy-3,4-dihydro-2H-1,4-benzoxazin-3-one	322636	ko01100
Thiolutin	6870	-
4-(5H-Dibenzo[a,d]cyclohepten-5-ylidene)-1-[4-(2H-tetrazol-5-yl)butyl]-piperidine	11741525	-
o-Xylene	7237	ko01100
Norfludiazepam	4540	-
Chloroxylenol	2723	-
1-pentadecanoyl-2-(9Z,12Z-octadecadienoyl)-sn-glycero-3-phosphocholine	24778664	ko00564,ko00590,ko00591,ko00592,ko01100,ko04723,ko05231
3,6,9,12,15,18,21-Heptaoxatricosane-1,23-diol	78798	-
N-(Hydroxymethyl)acrylamide	13543	-
1-(4-Methoxyphenyl)-4-methylpentan-3-ol	64513944	-
[2-[(9Z,12Z)-octadeca-9,12-dienoyl]oxy-3-[(Z)-octadec-9-enoyl]oxypropyl] 2-(trimethylazaniumyl)ethyl phosphate	15151374	ko00564,ko00590,ko00591,ko00592,ko01100,ko04723,ko05231
Stigmatellin Y	5282078	-
[(2R)-1-[[(2S)-2,3-dihydroxypropoxy]-hydroxyphosphoryl]oxy-3-(10-methyldodecanoyloxy)propan-2-yl] 22-methyltetracosanoate	131823274	ko00564,ko01100
3-Nitroacrylic acid	5280501	-
xI-Dihydro-2-methyl-3(2H)-thiophenone	61664	-
Citraconic anhydride	12012	-
Diammonium ethylenebis(dithiocarbamate)	3034395	-
Mycolactone F	24757914	-
Mycolactone E	25172513	-
17-(4-Hydroxyphenyl)heptadecanoic acid	20264585	-
Sphinganine-1-phosphocholine	44260122	-
1-octadecanoyl-2-(13Z,16Z-docosadienoyl)-glycero-3-phosphate	52928912	-
Coenzyme Q8	5283546	-
1-docosanoyl-2-(13Z,16Z-docosadienoyl)-glycero-3-phosphate	52929315	-
Tangeraxanthin	131752512	-
1-S-hexadecyl-2-O-[hexadecyl(hydroxy)phosphoryl]-1-thio-sn-glycero-3-phosphocholine	44176375	-
5-(3',4',5'-Trihydroxyphenyl)-gamma-valerolactone	44389277	-
[4-[(2E)-3,7-dimethylocta-2,6-dienyl]-2-formyl-3-hydroxy-5-methoxyphenyl]methyl (Z)-octadec-9-enoate	101670645	-
1-hexadecanoyl-2-(13Z,16Z-docosadienoyl)-glycero-3-phosphate	52928791	-
5-Hydroxy-6-methoxy-3-methyl-2-octaprenyl-1,4-benzoquinone	135398718	-
2-(Dimethylamino)acetonitrile	61237	-
4-Hydroxy-3-octaprenylbenzoic acid	5280831	-
muricin D	10897073	-
1,2-Dihydronaphthalene-1,2-diol	362	ko00980
PG(a-13:0/18:2(9Z,11Z))	131823270	ko00564,ko01100
1-Phenyl-2-hexanone	33191	-
N-Nonanoylglycine	10176752	-
1,4-Di-tert-butylbenzene	13895	-
3-Methyl-4-(sulfooxy)but-2-enoic acid	131835222	-
(2S,3E,6R)-3,7-Dimethyl-3-octene-1,2,6,7-tetrol	15885843	-
(E,E)-2,4-heptadienal	5283321	-
Oleoyl tyrosine	52922062	-
2-[(3,3-dimethyloxiran-2-yl)methyl]-4-(3-methylbut-2-en-1-yl)benzene-1,3,5-triol	131837023	-
PC(15:0/20:4(5Z,8Z,11Z,14Z))	52922330	ko00564,ko00590,ko00591,ko00592,ko01100,ko04723,ko05231
Trimethylolpropane	6510	-
Bacteriohopanetetrol glucosamine	11204813	-
Poloxamer-188	22895896	-
1,2-Dimethylimidazole	15617	-
[3-[2-(dimethylamino)ethoxy-hydroxyphosphoryl]oxy-2-hexadecanoyloxypropyl] (Z)-octadec-9-enoate	131821150	ko00561,ko00562,ko00564,ko01100,ko04070,ko04730
4-Chloro-3-methylphenol	1732	-
2-Keto-6-acetamidocaproate	194080	ko00310,ko01100
Cyclocreatine	2896	-
2-Butyne-1,4-diol	8066	-
5-Isoxazoleacetic acid, 4,5-dihydro-3-(4-hydroxyphenyl)-, methyl ester	4633677	-
PC(14:0/20:4(5Z,8Z,11Z,14Z))	24778634	ko00564,ko00590,ko00591,ko00592,ko01100,ko04723,ko05231
Nonadecanoic acid, 1-[[[(2-aminoethoxy)hydroxyphosphinyl]oxy]methyl]-2-[(1-oxohexadecyl)oxy]ethyl ester, (R)-	9546872	ko00561,ko00562,ko00564,ko01100,ko04070,ko04730
PA(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/24:1(15Z))	131822165	-
1-Methylpyrrolinium	440932	ko00760,ko01100
MG(0:0/19:0/0:0)	46932505	ko00561,ko01100,ko04714,ko04923,ko04975,ko04977
Penicilloic acid	98994	ko00563,ko00564,ko01100,ko04136,ko04140,ko04723,ko05167
1-hydroperoxy-8-carboxyoctyl-3,4-epoxynon-(2E)-enyl-ether	2734620	-
beta-D-glucosyl-N-[(17Z)-hexacosenoyl]sphingosine	20057358	ko00600,ko01100
N5-methylglutamine	439925	-
3,3'-Dimethoxybenzidine	8411	-
PA(22:1(13Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	131822087	-
2-[4-(3-Hydroxypropyl)-2-methoxyphenoxy]-1,3-propanediol	10264377	-
PE(P-18:0/18:4(6Z,9Z,12Z,15Z))	52925082	ko00563,ko00564,ko01100,ko04136,ko04140,ko04723,ko05167
N-[4-(3-acetamidopropylamino)butyl]acetamide	389613	-
4-Hydroxy-5-(3,4,5-trihydroxyphenyl)pentanoic acid	52920331	-
Neocasomorphin(1-5)	131769848	-
2-Hydroxy-3-phosphonooxybut-3-enoic acid	440293	-
Benzoylagmatine	439689	-
gamma-Glutamyl-2-aminobutyrate	78437958	-
4-Deoxyannoreticuin	44559041	-
xi-3-Methyl-3-cyclohexen-1-ol	566300	-
1,4,7-Triazacyclononane	188318	-
4-Chlorophenoxyacetic acid	26229	-
gamma-L-Glutamyl-L-pipecolic acid	69247902	-
PA(20:3(5Z,8Z,11Z)/24:0)	131822009	-
γ-Aminobutyric Acid	119	ko00250,ko00330,ko00410,ko00650,ko00760,ko01100,ko04024,ko04080,ko04721,ko04723,ko04727,ko04742,ko04915,ko04929,ko05032,ko05033
Naled	4420	-
cis-Murisolinone	10483058	-
Selenocysteine	25076	ko00450,ko01100
ISOPRENE	6557	ko00900
3-Chloroaniline	7932	-
[2-hexadecanoyloxy-3-[hydroxy-[2-(methylamino)ethoxy]phosphoryl]oxypropyl] (Z)-octadec-9-enoate	131820255	ko00561,ko00562,ko00564,ko01100,ko04070,ko04730
5-Hydroxypyrrole-2-carboxylic acid	135527508	-
Urate D-ribonucleotide	439973	-
6-(2-Hydroxyethoxy)-6-oxohexanoic acid	4066086	-
2,3-diketo-L-gulonate	21145097	-
3-Hydroxylidocaine	161824	ko00982
11-Oxahexadecanolide	18826	-
Quinmerac	91749	-
behenate	5460660	-
N-Desmethylzopiclone	162892	-
p-Hydroxyphenylacetothiohydroximate	46173870	ko01210
3,8'-Biflaviolin	25164057	-
3-(2-Hydroxyphenyl)oxirane-2-carbaldehyde	131837795	-
Platydesminium	5319758	-
1-Pentadecanoyl-2-octadecanoyl-sn-glycero-3-phosphocholine	11787533	ko00564,ko00590,ko00591,ko00592,ko01100,ko04723,ko05231
Leu-Val	6993115	-
Trp-Pro	11863652	-
Endomorphin 2	-	-
Asn-Trp	18218187	-
Isoleucylleucine	13817313	-
1-Stearoyl-2-arachidonyl-sn-glycero-3-phosphocholine	-	-
Auda	10069117	-
Prolyltryptophan	18218238	-
1-O-Palmitoyl-2-O-acetyl-sn-glycero-3-phosphorylcholine	-	ko00564,ko00590,ko00591,ko00592,ko01100,ko04723,ko05231
Tetranor-12(S)-hete	91886153	-
4-Azaniumyl-4,5-dihydro-1,2-oxazol-3-olate	25244962	-
Medica 16	121871	-
(1R,2R,9R)-1-piperidin-2-yl-3,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecane	118701435	-
3-Azaniumyl-4-[(1-methoxy-1-oxo-3-phenylpropan-2-yl)amino]-4-oxobutanoate	44355849	-
Protopine	4970	ko01100
3-Oxolanosta-7,24Z-dien-26-oic acid	73242216	-
1-(D-3-Mercapto-2-methyl-1-oxopropyl)-L-proline	2550	-
14,15-Epoxyeicosa-5z-enoic acid	53394468	-
AS 1-5	131751332	-
1-(9Z,12Z,15Z-octadecatrienoyl)-2-(5Z,8Z,11Z,14Z-eicosatetraenoyl)-sn-glycerol	9543807	ko00561,ko00562,ko00564,ko01100,ko04070,ko04730
1-(9Z-tetradecenoyl)-2-(4Z,7Z,10Z,13Z,16Z,19Z-docosahexaenoyl)-sn-glycerol	53477998	ko00561,ko00562,ko00564,ko01100,ko04070,ko04730
TG(20:5(5Z,8Z,11Z,14Z,17Z)/20:5(5Z,8Z,11Z,14Z,17Z)/20:5(5Z,8Z,11Z,14Z,17Z))	9545999	ko00561,ko01100,ko04714,ko04923,ko04931,ko04975,ko04977,ko04979,ko05417
[(2S)-2-hexadecanoyloxy-3-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxypropyl] (Z)-octadec-9-enoate	90658365	ko00561,ko01100,ko04714,ko04923,ko04931,ko04975,ko04977,ko04979,ko05417
[(2S)-2-hexadecanoyloxy-3-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypropyl] (9Z,12Z)-octadeca-9,12-dienoate	44593355	ko00561,ko01100,ko04714,ko04923,ko04931,ko04975,ko04977,ko04979,ko05417
DG(22:5(7Z,10Z,13Z,16Z,19Z)/22:5(7Z,10Z,13Z,16Z,19Z)/0:0)	9543968	ko00561,ko00562,ko00564,ko01100,ko04070,ko04730
METABOLITES_END
#END