#METABOLOMICS WORKBENCH DovileAnderson_20231217_221628 DATATRACK_ID:4533 STUDY_ID:ST003036 ANALYSIS_ID:AN004978 PROJECT_ID:PR001879
VERSION             	1
CREATED_ON             	January 8, 2024, 9:44 am
#PROJECT
PR:PROJECT_TITLE                 	Identifying and mathematically modeling the time-course of extracellular
PR:PROJECT_TITLE                 	metabolic markers associated with resistance to ceftolozane/tazobactam in
PR:PROJECT_TITLE                 	Pseudomonas aeruginosa
PR:PROJECT_TYPE                  	Biomedical research
PR:PROJECT_SUMMARY               	Extracellular bacterial metabolites have potential as markers of bacterial
PR:PROJECT_SUMMARY               	growth and resistance emergence, but have not been evaluated in dynamic in vitro
PR:PROJECT_SUMMARY               	studies. We investigated the dynamic metabolomic footprint of a
PR:PROJECT_SUMMARY               	multidrug-resistant hypermutable Pseudomonas aeruginosa isolate exposed to
PR:PROJECT_SUMMARY               	ceftolozane/tazobactam as continuous infusion (4.5g/day, 9g/day) in a
PR:PROJECT_SUMMARY               	hollow-fiber infection model over 7-9 days in biological replicates (n=5).
PR:PROJECT_SUMMARY               	Bacterial samples were collected at 0, 7, 23, 47, 71, 95, 143, 167, 191 and
PR:PROJECT_SUMMARY               	215h, the supernatant quenched and extracellular metabolites extracted.
PR:PROJECT_SUMMARY               	Metabolites were analyzed via untargeted metabolomics, including hierarchical
PR:PROJECT_SUMMARY               	clustering and correlation with quantified total and resistant bacterial
PR:PROJECT_SUMMARY               	populations. The time-courses of five metabolites were mathematically modeled.
PR:PROJECT_SUMMARY               	These five (of 1921 detected) metabolites were from enriched pathways (arginine
PR:PROJECT_SUMMARY               	and central carbon metabolism). Absorbed L-arginine and secreted L-ornithine
PR:PROJECT_SUMMARY               	were highly correlated with the total bacterial population (r -0.79 and 0.82
PR:PROJECT_SUMMARY               	respectively, p<0.0001). Ribose-5-phosphate, sedoheptulose-7-phosphate and
PR:PROJECT_SUMMARY               	trehalose-6-phosphate correlated with the resistant subpopulation (0.64, 0.64
PR:PROJECT_SUMMARY               	and 0.67, respectively, p<0.0001), and were likely secreted due to resistant
PR:PROJECT_SUMMARY               	growth overcoming oxidative and osmotic stress induced by
PR:PROJECT_SUMMARY               	ceftolozane/tazobactam. Using PK/PD-based transduction models, these metabolites
PR:PROJECT_SUMMARY               	were successfully modeled based on the total or resistant bacterial populations.
PR:PROJECT_SUMMARY               	The models well described the abundance of each metabolite across the differing
PR:PROJECT_SUMMARY               	time-course profiles of biological replicates, based on bacterial killing and,
PR:PROJECT_SUMMARY               	importantly, resistant regrowth. These proof-of-concept studies suggest further
PR:PROJECT_SUMMARY               	exploration is warranted to determine the generalizability of these findings.
PR:PROJECT_SUMMARY               	The metabolites modeled in this work are not exclusive to bacterial cells.
PR:PROJECT_SUMMARY               	Future studies may use this approach to identify bacteria-specific metabolites
PR:PROJECT_SUMMARY               	correlating with resistance, which would ultimately be extremely useful for
PR:PROJECT_SUMMARY               	clinical translation.
PR:INSTITUTE                     	Monash Institute of Pharmaceutical Sciences
PR:DEPARTMENT                    	Drug Delivery, Disposition and Dynamics
PR:LABORATORY                    	Cornelia Landersdorfer
PR:LAST_NAME                     	Landersdorfer
PR:FIRST_NAME                    	Cornelia
PR:ADDRESS                       	399 Royal Pd
PR:EMAIL                         	cornelia.landersdorfer@monash.edu
PR:PHONE                         	+61 3 9903 9061
#STUDY
ST:STUDY_TITLE                   	Identifying and mathematically modeling the time-course of extracellular
ST:STUDY_TITLE                   	metabolic markers associated with resistance to ceftolozane/tazobactam in
ST:STUDY_TITLE                   	Pseudomonas aeruginosa - Part 2
ST:STUDY_SUMMARY                 	Extracellular bacterial metabolites have potential as markers of bacterial
ST:STUDY_SUMMARY                 	growth and resistance emergence, but have not been evaluated in dynamic in vitro
ST:STUDY_SUMMARY                 	studies. We investigated the dynamic metabolomic footprint of a
ST:STUDY_SUMMARY                 	multidrug-resistant hypermutable Pseudomonas aeruginosa isolate exposed to
ST:STUDY_SUMMARY                 	ceftolozane/tazobactam as continuous infusion (4.5g/day, 9g/day) in a
ST:STUDY_SUMMARY                 	hollow-fiber infection model over 7-9 days in biological replicates (n=5).
ST:STUDY_SUMMARY                 	Bacterial samples were collected at 0, 7, 23, 47, 71, 95, 143, 167, 191 and
ST:STUDY_SUMMARY                 	215h, the supernatant quenched and extracellular metabolites extracted.
ST:STUDY_SUMMARY                 	Metabolites were analyzed via untargeted metabolomics, including hierarchical
ST:STUDY_SUMMARY                 	clustering and correlation with quantified total and resistant bacterial
ST:STUDY_SUMMARY                 	populations. The time-courses of five metabolites were mathematically modeled.
ST:STUDY_SUMMARY                 	These five (of 1921 detected) metabolites were from enriched pathways (arginine
ST:STUDY_SUMMARY                 	and central carbon metabolism). Absorbed L-arginine and secreted L-ornithine
ST:STUDY_SUMMARY                 	were highly correlated with the total bacterial population (r -0.79 and 0.82
ST:STUDY_SUMMARY                 	respectively, p<0.0001). Ribose-5-phosphate, sedoheptulose-7-phosphate and
ST:STUDY_SUMMARY                 	trehalose-6-phosphate correlated with the resistant subpopulation (0.64, 0.64
ST:STUDY_SUMMARY                 	and 0.67, respectively, p<0.0001), and were likely secreted due to resistant
ST:STUDY_SUMMARY                 	growth overcoming oxidative and osmotic stress induced by
ST:STUDY_SUMMARY                 	ceftolozane/tazobactam. Using PK/PD-based transduction models, these metabolites
ST:STUDY_SUMMARY                 	were successfully modeled based on the total or resistant bacterial populations.
ST:STUDY_SUMMARY                 	The models well described the abundance of each metabolite across the differing
ST:STUDY_SUMMARY                 	time-course profiles of biological replicates, based on bacterial killing and,
ST:STUDY_SUMMARY                 	importantly, resistant regrowth. These proof-of-concept studies suggest further
ST:STUDY_SUMMARY                 	exploration is warranted to determine the generalizability of these findings.
ST:STUDY_SUMMARY                 	The metabolites modeled in this work are not exclusive to bacterial cells.
ST:STUDY_SUMMARY                 	Future studies may use this approach to identify bacteria-specific metabolites
ST:STUDY_SUMMARY                 	correlating with resistance, which would ultimately be extremely useful for
ST:STUDY_SUMMARY                 	clinical translation.
ST:INSTITUTE                     	Monash Institute of Pharmaceutical Sciences
ST:DEPARTMENT                    	Drug Delivery, Disposition and Dynamics
ST:LABORATORY                    	Cornelia Landersdorfer
ST:LAST_NAME                     	Landersdorfer
ST:FIRST_NAME                    	Cornelia
ST:ADDRESS                       	399 Royal Pd
ST:EMAIL                         	cornelia.landersdorfer@monash.edu
ST:NUM_GROUPS                    	6 groups with time points
ST:TOTAL_SUBJECTS                	NA
ST:NUM_MALES                     	NA
ST:NUM_FEMALES                   	NA
ST:PUBLICATIONS                  	Identifying and mathematically modeling the time-course of extracellular
ST:PUBLICATIONS                  	metabolic markers associated with resistance to ceftolozane/tazobactam in
ST:PUBLICATIONS                  	Pseudomonas aeruginosa
ST:STUDY_TYPE                    	Biomedical research
ST:PHONE                         	+61 3 9903 9061
#SUBJECT
SU:SUBJECT_TYPE                  	Bacteria
SU:SUBJECT_SPECIES               	Pseudomonas aeruginosa
SU:TAXONOMY_ID                   	287
SU:GENOTYPE_STRAIN               	CW41
SU:AGE_OR_AGE_RANGE              	NA
SU:WEIGHT_OR_WEIGHT_RANGE        	NA
SU:GENDER                        	Not applicable
#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           	-	M_Control_7h_A	treatment:M_Control_7h	RAW_FILE_NAME=M_Control_7h_A
SUBJECT_SAMPLE_FACTORS           	-	M_Control_7h_B	treatment:M_Control_7h	RAW_FILE_NAME=M_Control_7h_B
SUBJECT_SAMPLE_FACTORS           	-	M_Cefto_3g_7h_E	treatment:M_Cefto_3g_7h	RAW_FILE_NAME=M_Cefto_3g_7h_E
SUBJECT_SAMPLE_FACTORS           	-	M_Cefto_3g_7h_F	treatment:M_Cefto_3g_7h	RAW_FILE_NAME=M_Cefto_3g_7h_F
SUBJECT_SAMPLE_FACTORS           	-	M_Cefto_6g_7h_i	treatment:M_Cefto_6g_7h	RAW_FILE_NAME=M_Cefto_6g_7h_i
SUBJECT_SAMPLE_FACTORS           	-	M_Cefto_6g_7h_J	treatment:M_Cefto_6g_7h	RAW_FILE_NAME=M_Cefto_6g_7h_J
SUBJECT_SAMPLE_FACTORS           	-	M_Control_23h_A	treatment:M_Control_23h	RAW_FILE_NAME=M_Control_23h_A
SUBJECT_SAMPLE_FACTORS           	-	M_Control_23h_B	treatment:M_Control_23h	RAW_FILE_NAME=M_Control_23h_B
SUBJECT_SAMPLE_FACTORS           	-	M_Cefto_3g_23h_E	treatment:M_Cefto_3g_23h	RAW_FILE_NAME=M_Cefto_3g_23h_E
SUBJECT_SAMPLE_FACTORS           	-	M_Cefto_3g_23h_F	treatment:M_Cefto_3g_23h	RAW_FILE_NAME=M_Cefto_3g_23h_F
SUBJECT_SAMPLE_FACTORS           	-	M_Cefto_6g_23h_i	treatment:M_Cefto_6g_23h	RAW_FILE_NAME=M_Cefto_6g_23h_i
SUBJECT_SAMPLE_FACTORS           	-	M_Cefto_6g_23h_J	treatment:M_Cefto_6g_23h	RAW_FILE_NAME=M_Cefto_6g_23h_J
SUBJECT_SAMPLE_FACTORS           	-	M_Control_47h_A	treatment:M_Control_47h	RAW_FILE_NAME=M_Control_47h_A
SUBJECT_SAMPLE_FACTORS           	-	M_Control_47h_B	treatment:M_Control_47h	RAW_FILE_NAME=M_Control_47h_B
SUBJECT_SAMPLE_FACTORS           	-	M_Cefto_3g_47h_E	treatment:M_Cefto_3g_47h	RAW_FILE_NAME=M_Cefto_3g_47h_E
SUBJECT_SAMPLE_FACTORS           	-	M_Cefto_3g_47h_F	treatment:M_Cefto_3g_47h	RAW_FILE_NAME=M_Cefto_3g_47h_F
SUBJECT_SAMPLE_FACTORS           	-	M_Cefto_6g_47h_i	treatment:M_Cefto_6g_47h	RAW_FILE_NAME=M_Cefto_6g_47h_i
SUBJECT_SAMPLE_FACTORS           	-	M_Cefto_6g_47h_J	treatment:M_Cefto_6g_47h	RAW_FILE_NAME=M_Cefto_6g_47h_J
SUBJECT_SAMPLE_FACTORS           	-	M_Control_71h_A	treatment:M_Control_71h	RAW_FILE_NAME=M_Control_71h_A
SUBJECT_SAMPLE_FACTORS           	-	M_Control_71h_B	treatment:M_Control_71h	RAW_FILE_NAME=M_Control_71h_B
SUBJECT_SAMPLE_FACTORS           	-	M_Cefto_3g_71h_E	treatment:M_Cefto_3g_71h	RAW_FILE_NAME=M_Cefto_3g_71h_E
SUBJECT_SAMPLE_FACTORS           	-	M_Cefto_3g_71h_F	treatment:M_Cefto_3g_71h	RAW_FILE_NAME=M_Cefto_3g_71h_F
SUBJECT_SAMPLE_FACTORS           	-	M_Cefto_6g_71h_i	treatment:M_Cefto_6g_71h	RAW_FILE_NAME=M_Cefto_6g_71h_i
SUBJECT_SAMPLE_FACTORS           	-	M_Cefto_6g_71h_J	treatment:M_Cefto_6g_71h	RAW_FILE_NAME=M_Cefto_6g_71h_J
SUBJECT_SAMPLE_FACTORS           	-	M_Control_95h_A	treatment:M_Control_95h	RAW_FILE_NAME=M_Control_95h_A
SUBJECT_SAMPLE_FACTORS           	-	M_Control_95h_B	treatment:M_Control_95h	RAW_FILE_NAME=M_Control_95h_B
SUBJECT_SAMPLE_FACTORS           	-	M_Cefto_3g_95h_E	treatment:M_Cefto_3g_95h	RAW_FILE_NAME=M_Cefto_3g_95h_E
SUBJECT_SAMPLE_FACTORS           	-	M_Cefto_3g_95h_F	treatment:M_Cefto_3g_95h	RAW_FILE_NAME=M_Cefto_3g_95h_F
SUBJECT_SAMPLE_FACTORS           	-	M_Cefto_6g_95h_i	treatment:M_Cefto_6g_95h	RAW_FILE_NAME=M_Cefto_6g_95h_i
SUBJECT_SAMPLE_FACTORS           	-	M_Cefto_6g_95h_J	treatment:M_Cefto_6g_95h	RAW_FILE_NAME=M_Cefto_6g_95h_J
SUBJECT_SAMPLE_FACTORS           	-	M_Control_143h_A	treatment:M_Control_143h	RAW_FILE_NAME=M_Control_143h_A
SUBJECT_SAMPLE_FACTORS           	-	M_Control_143h_B	treatment:M_Control_143h	RAW_FILE_NAME=M_Control_143h_B
SUBJECT_SAMPLE_FACTORS           	-	M_Cefto_3g_143h_E	treatment:M_Cefto_3g_143h	RAW_FILE_NAME=M_Cefto_3g_143h_E
SUBJECT_SAMPLE_FACTORS           	-	M_Cefto_3g_143h_F	treatment:M_Cefto_3g_143h	RAW_FILE_NAME=M_Cefto_3g_143h_F
SUBJECT_SAMPLE_FACTORS           	-	M_Cefto_6g_143h_i	treatment:M_Cefto_6g_143h	RAW_FILE_NAME=M_Cefto_6g_143h_i
SUBJECT_SAMPLE_FACTORS           	-	M_Cefto_6g_143h_J	treatment:M_Cefto_6g_143h	RAW_FILE_NAME=M_Cefto_6g_143h_J
SUBJECT_SAMPLE_FACTORS           	-	M_Control_167h_A	treatment:M_Control_167h	RAW_FILE_NAME=M_Control_167h_A
SUBJECT_SAMPLE_FACTORS           	-	M_Control_167h_B	treatment:M_Control_167h	RAW_FILE_NAME=M_Control_167h_B
SUBJECT_SAMPLE_FACTORS           	-	M_Cefto_3g_167h_E	treatment:M_Cefto_3g_167h	RAW_FILE_NAME=M_Cefto_3g_167h_E
SUBJECT_SAMPLE_FACTORS           	-	M_Cefto_3g_167h_F	treatment:M_Cefto_3g_167h	RAW_FILE_NAME=M_Cefto_3g_167h_F
SUBJECT_SAMPLE_FACTORS           	-	M_Cefto_6g_167h_i	treatment:M_Cefto_6g_167h	RAW_FILE_NAME=M_Cefto_6g_167h_i
SUBJECT_SAMPLE_FACTORS           	-	M_Cefto_6g_167h_J	treatment:M_Cefto_6g_167h	RAW_FILE_NAME=M_Cefto_6g_167h_J
SUBJECT_SAMPLE_FACTORS           	-	BR_Blank_broth_B0_B0	treatment:BR_Blank_broth_B0	RAW_FILE_NAME=BR_Blank_broth_B0_B0
SUBJECT_SAMPLE_FACTORS           	-	BR_Blank_broth_B4_A	treatment:BR_Blank_broth_B4	RAW_FILE_NAME=BR_Blank_broth_B4_A
SUBJECT_SAMPLE_FACTORS           	-	BR_Blank_broth_B4_B	treatment:BR_Blank_broth_B4	RAW_FILE_NAME=BR_Blank_broth_B4_B
SUBJECT_SAMPLE_FACTORS           	-	BR_Blank_broth_B1_E	treatment:BR_Blank_broth_B1	RAW_FILE_NAME=BR_Blank_broth_B1_E
SUBJECT_SAMPLE_FACTORS           	-	BR_Blank_broth_B2_E	treatment:BR_Blank_broth_B2	RAW_FILE_NAME=BR_Blank_broth_B2_E
SUBJECT_SAMPLE_FACTORS           	-	BR_Blank_broth_B3_E	treatment:BR_Blank_broth_B3	RAW_FILE_NAME=BR_Blank_broth_B3_E
SUBJECT_SAMPLE_FACTORS           	-	BR_Blank_broth_B2_F	treatment:BR_Blank_broth_B2	RAW_FILE_NAME=BR_Blank_broth_B2_F
SUBJECT_SAMPLE_FACTORS           	-	BR_Blank_broth_B3_F	treatment:BR_Blank_broth_B3	RAW_FILE_NAME=BR_Blank_broth_B3_F
SUBJECT_SAMPLE_FACTORS           	-	BR_Blank_broth_B3_F_20200425222826	treatment:BR_Blank_broth_B3	RAW_FILE_NAME=BR_Blank_broth_B3_F_20200425222826
SUBJECT_SAMPLE_FACTORS           	-	BR_Blank_broth_B3_i	treatment:BR_Blank_broth_B3	RAW_FILE_NAME=BR_Blank_broth_B3_i
SUBJECT_SAMPLE_FACTORS           	-	BR_Blank_broth_B3_i_20200426061728	treatment:BR_Blank_broth_B3	RAW_FILE_NAME=BR_Blank_broth_B3_i_20200426061728
SUBJECT_SAMPLE_FACTORS           	-	BR_Blank_broth_B4_i	treatment:BR_Blank_broth_B4	RAW_FILE_NAME=BR_Blank_broth_B4_i
SUBJECT_SAMPLE_FACTORS           	-	BR_Blank_broth_B2_J	treatment:BR_Blank_broth_B2	RAW_FILE_NAME=BR_Blank_broth_B2_J
SUBJECT_SAMPLE_FACTORS           	-	BR_Blank_broth_B3_J	treatment:BR_Blank_broth_B3	RAW_FILE_NAME=BR_Blank_broth_B3_J
SUBJECT_SAMPLE_FACTORS           	-	BR_Blank_broth_B4_J	treatment:BR_Blank_broth_B4	RAW_FILE_NAME=BR_Blank_broth_B4_J
SUBJECT_SAMPLE_FACTORS           	-	Blank_1	treatment:Extraction blank	RAW_FILE_NAME=Blank_1
SUBJECT_SAMPLE_FACTORS           	-	Blank_2	treatment:Extraction blank	RAW_FILE_NAME=Blank_2
SUBJECT_SAMPLE_FACTORS           	-	Blank_3	treatment:Extraction blank	RAW_FILE_NAME=Blank_3
SUBJECT_SAMPLE_FACTORS           	-	Blank_4	treatment:Extraction blank	RAW_FILE_NAME=Blank_4
SUBJECT_SAMPLE_FACTORS           	-	Blank_5	treatment:Extraction blank	RAW_FILE_NAME=Blank_5
SUBJECT_SAMPLE_FACTORS           	-	Blank_6	treatment:Extraction blank	RAW_FILE_NAME=Blank_6
SUBJECT_SAMPLE_FACTORS           	-	QC_1	treatment:Pooled QC	RAW_FILE_NAME=QC_1
SUBJECT_SAMPLE_FACTORS           	-	QC_2	treatment:Pooled QC	RAW_FILE_NAME=QC_2
SUBJECT_SAMPLE_FACTORS           	-	QC_3	treatment:Pooled QC	RAW_FILE_NAME=QC_3
SUBJECT_SAMPLE_FACTORS           	-	QC_4	treatment:Pooled QC	RAW_FILE_NAME=QC_4
SUBJECT_SAMPLE_FACTORS           	-	QC_5	treatment:Pooled QC	RAW_FILE_NAME=QC_5
SUBJECT_SAMPLE_FACTORS           	-	QC_6	treatment:Pooled QC	RAW_FILE_NAME=QC_6
#COLLECTION
CO:COLLECTION_SUMMARY            	A hypermutable P. aeruginosa clinical isolate, CW41, was challenged with
CO:COLLECTION_SUMMARY            	ceftolozane-tazobactam (Zerbaxa®, MSD, Australia) in the HFIM (C3008-1
CO:COLLECTION_SUMMARY            	cartridges; FiberCell Systems Inc., Frederick, MD, USA), in five biological
CO:COLLECTION_SUMMARY            	replicates performed across two studies. The first study, with replicates 1 and
CO:COLLECTION_SUMMARY            	2, was conducted over 167 h and the second study, with replicates 3, 4 and 5,
CO:COLLECTION_SUMMARY            	over 215 h. Briefly, the studied isolate was characterized as susceptible to
CO:COLLECTION_SUMMARY            	ceftolozane-tazobactam (MIC 4 mg/L), and MDR (i.e. resistant to at least 1
CO:COLLECTION_SUMMARY            	antibiotic from each of ≥3 antibiotic classes) (17-20). The HFIM studies used
CO:COLLECTION_SUMMARY            	cation-adjusted Mueller Hinton broth (CAMHB) and agar (CAMHA) [Becton Dickinson
CO:COLLECTION_SUMMARY            	& Co., Sparks, MD, USA, with 25.0 mg/L Ca2+ and 12.5 mg/L Mg2+].
CO:COLLECTION_SUMMARY            	Ceftolozane-tazobactam was administered to simulate steady-state concentrations
CO:COLLECTION_SUMMARY            	of ceftolozane predicted to occur in the epithelial lining fluid of the lung in
CO:COLLECTION_SUMMARY            	patients with CF, following daily doses of 3 g/1.5 g and 6 g/3 g via continuous
CO:COLLECTION_SUMMARY            	infusion (10.6 and 21.3 mg/L, respectively) (21-23). Total bacterial populations
CO:COLLECTION_SUMMARY            	were quantified on antibiotic-free CAMHA, and resistant subpopulations on CAMHA
CO:COLLECTION_SUMMARY            	containing ceftolozane-tazobactam (12 and 20 mg/L).
CO:SAMPLE_TYPE                   	Bacterial cells
#TREATMENT
TR:TREATMENT_SUMMARY             	Ceftolozane-tazobactam was administered to simulate steady-state concentrations
TR:TREATMENT_SUMMARY             	of ceftolozane predicted to occur in the epithelial lining fluid of the lung in
TR:TREATMENT_SUMMARY             	patients with CF, following daily doses of 3 g/1.5 g and 6 g/3 g via continuous
TR:TREATMENT_SUMMARY             	infusion (10.6 and 21.3 mg/L, respectively) (21-23). Total bacterial populations
TR:TREATMENT_SUMMARY             	were quantified on antibiotic-free CAMHA, and resistant subpopulations on CAMHA
TR:TREATMENT_SUMMARY             	containing ceftolozane-tazobactam (12 and 20 mg/L).
TR:TREATMENT_COMPOUND            	Ceftolozane-tazobactam
TR:TREATMENT_DOSE                	3 g and 6 g
TR:TREATMENT_DOSEVOLUME          	10.6 and 21.3 mg/L
#SAMPLEPREP
SP:SAMPLEPREP_SUMMARY            	Each sample (25 µL) was added to 100 µL of pre-chilled methanol containing the
SP:SAMPLEPREP_SUMMARY            	internal standards (CHAPS, CAPS, TRIS and PIPES) at 1 µM. This mixture was
SP:SAMPLEPREP_SUMMARY            	vortexed, and subsequently centrifuged at 14800 x g and 4°C for 10 min .The
SP:SAMPLEPREP_SUMMARY            	final supernatant samples containing the extracted extracellular metabolites
SP:SAMPLEPREP_SUMMARY            	were stored at -80°C until LC-MS analysis was performed (Figure S2B).
SP:PROCESSING_METHOD             	IDEOM
SP:PROCESSING_STORAGE_CONDITIONS 	-80℃
SP:EXTRACT_STORAGE               	-80℃
#CHROMATOGRAPHY
CH:CHROMATOGRAPHY_SUMMARY        	ZIC-pHILIC chromatography at pH 9 using pos neg switching
CH:CHROMATOGRAPHY_TYPE           	HILIC
CH:INSTRUMENT_NAME               	Thermo Dionex Ultimate 3000
CH:COLUMN_NAME                   	Merck SeQuant ZIC-pHILIC (150 x 4.6mm,5um)
CH:SOLVENT_A                     	20 mM ammonium carbonate
CH:SOLVENT_B                     	acetonitrile
CH:FLOW_GRADIENT                 	0 min - 80%B, 15 min - 50%B, 18 min - 5%B, 21 min - 5%B, 24 min - 80%B, 32 min -
CH:FLOW_GRADIENT                 	80%B
CH:FLOW_RATE                     	0.3 ml/min
CH:COLUMN_TEMPERATURE            	25 C
CH:METHODS_FILENAME              	Metabolomics_pHILIC_Parkville_v1.pdf
CH:WASHING_BUFFER                	syringe wash 50% IPA
#ANALYSIS
AN:ANALYSIS_TYPE                 	MS
AN:LABORATORY_NAME               	Monash Proteomics and Metabolomics Platform
AN:OPERATOR_NAME                 	Dovile Anderson
AN:DETECTOR_TYPE                 	Full scan
AN:SOFTWARE_VERSION              	XCalibur 4.6
AN:ACQUISITION_DATE              	24/04/2020
AN:ANALYSIS_PROTOCOL_FILE        	PQMS3-MPMF-WIN-0501_LCMS_data_acquisition_for_untargeted_metabolomics_analysis.pdf
AN:ACQUISITION_PARAMETERS_FILE   	Metabolomics_pHILIC_Parkville_v1.pdf
AN:DATA_FORMAT                   	.RAW
#MS
MS:INSTRUMENT_NAME               	Thermo Q Exactive Orbitrap
MS:INSTRUMENT_TYPE               	Orbitrap
MS:MS_TYPE                       	ESI
MS:ION_MODE                      	NEGATIVE
MS:MS_COMMENTS                   	polarity switching used, resolution 35 k, full scan
MS:CAPILLARY_TEMPERATURE         	300 C
MS:CAPILLARY_VOLTAGE             	4 kV
MS:COLLISION_ENERGY              	NA
MS:DRY_GAS_FLOW                  	50
MS:DRY_GAS_TEMP                  	120
MS:ION_SOURCE_TEMPERATURE        	120 C
MS:MASS_ACCURACY                 	3 ppm
MS:PRECURSOR_TYPE                	[M-H]-
#MS_METABOLITE_DATA
MS_METABOLITE_DATA:UNITS	peak height
MS_METABOLITE_DATA_START
Samples	M_Control_7h_A	M_Control_7h_B	M_Cefto_3g_7h_E	M_Cefto_3g_7h_F	M_Cefto_6g_7h_i	M_Cefto_6g_7h_J	M_Control_23h_A	M_Control_23h_B	M_Cefto_3g_23h_E	M_Cefto_3g_23h_F	M_Cefto_6g_23h_i	M_Cefto_6g_23h_J	M_Control_47h_A	M_Control_47h_B	M_Cefto_3g_47h_E	M_Cefto_3g_47h_F	M_Cefto_6g_47h_i	M_Cefto_6g_47h_J	M_Control_71h_A	M_Control_71h_B	M_Cefto_3g_71h_E	M_Cefto_3g_71h_F	M_Cefto_6g_71h_i	M_Cefto_6g_71h_J	M_Control_95h_A	M_Control_95h_B	M_Cefto_3g_95h_E	M_Cefto_3g_95h_F	M_Cefto_6g_95h_i	M_Cefto_6g_95h_J	M_Control_143h_A	M_Control_143h_B	M_Cefto_3g_143h_E	M_Cefto_3g_143h_F	M_Cefto_6g_143h_i	M_Cefto_6g_143h_J	M_Control_167h_A	M_Control_167h_B	M_Cefto_3g_167h_E	M_Cefto_3g_167h_F	M_Cefto_6g_167h_i	M_Cefto_6g_167h_J	BR_Blank_broth_B0_B0	BR_Blank_broth_B4_A	BR_Blank_broth_B4_B	BR_Blank_broth_B1_E	BR_Blank_broth_B2_E	BR_Blank_broth_B3_E	BR_Blank_broth_B2_F	BR_Blank_broth_B3_F	BR_Blank_broth_B3_F_20200425222826	BR_Blank_broth_B3_i	BR_Blank_broth_B3_i_20200426061728	BR_Blank_broth_B4_i	BR_Blank_broth_B2_J	BR_Blank_broth_B3_J	BR_Blank_broth_B4_J	Blank_1	Blank_2	Blank_3	Blank_4	Blank_5	Blank_6	QC_1	QC_2	QC_3	QC_4	QC_5	QC_6
Factors	treatment:M_Control_7h	treatment:M_Control_7h	treatment:M_Cefto_3g_7h	treatment:M_Cefto_3g_7h	treatment:M_Cefto_6g_7h	treatment:M_Cefto_6g_7h	treatment:M_Control_23h	treatment:M_Control_23h	treatment:M_Cefto_3g_23h	treatment:M_Cefto_3g_23h	treatment:M_Cefto_6g_23h	treatment:M_Cefto_6g_23h	treatment:M_Control_47h	treatment:M_Control_47h	treatment:M_Cefto_3g_47h	treatment:M_Cefto_3g_47h	treatment:M_Cefto_6g_47h	treatment:M_Cefto_6g_47h	treatment:M_Control_71h	treatment:M_Control_71h	treatment:M_Cefto_3g_71h	treatment:M_Cefto_3g_71h	treatment:M_Cefto_6g_71h	treatment:M_Cefto_6g_71h	treatment:M_Control_95h	treatment:M_Control_95h	treatment:M_Cefto_3g_95h	treatment:M_Cefto_3g_95h	treatment:M_Cefto_6g_95h	treatment:M_Cefto_6g_95h	treatment:M_Control_143h	treatment:M_Control_143h	treatment:M_Cefto_3g_143h	treatment:M_Cefto_3g_143h	treatment:M_Cefto_6g_143h	treatment:M_Cefto_6g_143h	treatment:M_Control_167h	treatment:M_Control_167h	treatment:M_Cefto_3g_167h	treatment:M_Cefto_3g_167h	treatment:M_Cefto_6g_167h	treatment:M_Cefto_6g_167h	treatment:BR_Blank_broth_B0	treatment:BR_Blank_broth_B4	treatment:BR_Blank_broth_B4	treatment:BR_Blank_broth_B1	treatment:BR_Blank_broth_B2	treatment:BR_Blank_broth_B3	treatment:BR_Blank_broth_B2	treatment:BR_Blank_broth_B3	treatment:BR_Blank_broth_B3	treatment:BR_Blank_broth_B3	treatment:BR_Blank_broth_B3	treatment:BR_Blank_broth_B4	treatment:BR_Blank_broth_B2	treatment:BR_Blank_broth_B3	treatment:BR_Blank_broth_B4	treatment:Extraction blank	treatment:Extraction blank	treatment:Extraction blank	treatment:Extraction blank	treatment:Extraction blank	treatment:Extraction blank	treatment:Pooled QC	treatment:Pooled QC	treatment:Pooled QC	treatment:Pooled QC	treatment:Pooled QC	treatment:Pooled QC
3-Methylbutanoic acid	1407675	1103569	841696	834790	1098509	808111	1214526	1644725	636684	575875	803060	578600	4379055	2969135	832355	666605	699088	545581	6531183	3869560	1415560	1367947	928975	680358	10500000	6497176	2143516	2384129	1916674	1822760	16400000	14200000	3949255	4494988	3608762	5386927	15200000	11400000	5197330	5245019	5252666	5340624	672150	2123274	990645	627483	276452	243022	600802	217230	474261	236900	769388	290309	1106624	358203	385079	3350922	3669803	3737026	4197220	4137620	4050816	5317466	3948022	3340595	2612635	1993628	5152453
Hexadecanoic acid	17500000	23800000	28500000	25400000	32500000	39300000	19000000	30700000	23200000	35100000	19400000	29700000	30300000	27400000	25900000	22900000	22700000	61400000	53600000	21300000	22000000	19700000	20100000	24100000	29100000	26100000	23300000	27300000	30700000	23200000	56100000	33300000	37200000	31000000	43900000	67500000	70300000	47700000	68900000	52600000	43900000	39300000	83900000	30200000	29000000	34400000	30600000	29900000	26600000	24700000	28700000	24500000	27800000	26800000	25900000	26800000	26100000	3669154	3036390	2845949	2775760	2724550	2646724	53600000	50900000	48200000	47600000	47300000	48400000
Octadecanoic acid	11400000	18100000	21800000	19300000	27500000	33100000	12400000	29500000	18700000	28300000	13000000	23100000	22400000	18700000	21200000	16100000	17000000	56200000	36600000	11800000	12800000	12500000	14800000	15600000	16300000	15100000	12700000	15200000	16000000	12400000	18900000	15800000	14400000	14400000	19500000	34000000	32500000	17900000	22800000	28200000	24800000	22600000	72000000	23100000	20200000	27100000	22400000	21500000	17000000	17100000	19900000	16300000	21700000	18500000	19200000	19100000	18700000	3072127	2741013	2717822	2620142	2669742	2642562	41900000	37600000	36900000	35600000	35000000	36100000
ethyl propionate	1535556	2494816	766629	2202253	1828563	1595505	3156496	4264872	1847662	1556781	1730116	1200992	3843967	4746130	1454966	1117210	1548518	1045065	5618333	5633340	2840730	2936051	1666073	1910241	9081861	10400000	4631725	5039845	4652755	3185074	13800000	13800000	6900026	7499489	4967245	6691168	14000000	15800000	7789884	9464827	6203271	6507270	1514307	1555376	2476735	1363983	660625	936885	1632712	1571621	1445346	825979	1192743	785131	1368726	1335468	1097418	307599	366460	474406	410901	414947	414704	4030645	5106495	4765106	5517546	4929593	5059369
4-Oxoproline	74600000	78500000	73100000	74200000	73900000	73500000	75500000	72200000	71200000	74700000	76500000	71200000	77600000	74200000	72000000	71300000	78700000	76700000	73000000	65300000	66600000	72700000	74700000	74500000	75800000	74500000	66700000	67900000	77300000	68000000	69300000	73900000	66900000	70100000	67700000	73500000	74900000	70100000	68200000	68200000	73900000	69700000	79100000	83800000	80600000	74000000	73800000	77200000	81200000	80400000	76400000	75800000	71300000	82000000	78400000	79800000	69700000	50134	173091	267026	355533	405243	442642	75900000	69700000	74900000	74300000	70000000	73000000
FA ethyl(6:0)	433243	422411	517293	417146	477180	453713	440914	468935	430026	396013	438286	436826	422472	438082	418735	386635	468911	442381	409834	536286	461769	431255	513627	489178	457879	402214	428757	398806	433647	536673	406446	434486	433962	414619	420728	477325	350328	474912	437825	418375	464579	540652	647696	398710	400951	439607	519310	399030	440140	415894	419650	389537	353494	385985	408564	431536	422641	256265	287321	268286	315053	289137	333089	368425	440364	434180	401065	371688	436230
4-Hydroxybenzaldehyde	1373593	1835335	1581394	1871941	1394231	1443397	1033372	1193794	2660792	2533183	2948451	2234639	1586251	1089996	1123367	2098980	2612385	2133619	1187698	1326087	1225620	914774	987165	1278569	1213817	1324018	700743	1401156	1023286	882111	1961075	1507196	840227	1209944	800066	1121593	1107813	1012953	631555	639725	763355	597815	3337805	4407188	3442727	2765431	1497808	1348179	2837054	1378095	2748962	1232403	2521061	1183816	3323033	1453107	1906996	265697	254716	280606	293626	276319	288462	1099058	1084495	1089581	1075678	1130314	1013976
3-Hydroxybenzaldehyde	729129	926291	1017016	1170951	875167	814468	685491	751861	1592991	1374180	1624635	1161783	725216	656164	733936	1097900	1426647	1042515	737062	733999	808195	669347	667955	886478	571055	729378	458466	879953	709237	732823	762515	768397	603892	780556	569267	775144	549690	706570	535796	530537	612679	421669	1504706	1847217	1451270	1366734	762026	784187	1572085	799180	1382328	784766	1243466	776565	1434687	899582	645456	243796	253250	266371	268931	301788	280085	658987	785503	647617	693801	703044	785828
sodium dodecyl sulfate	636804	846813	706842	783788	597137	1010113	791155	1129495	543871	1035146	599163	517586	691401	646266	653410	679942	1893553	1355883	731304	601884	529610	509845	552682	3904333	3250661	556991	2000922	1536631	916876	587826	879781	665668	589159	2125838	1482580	975810	1068221	634663	726391	773223	1434126	1060610	1806385	999076	777787	1149917	855491	701439	937447	602362	893570	611730	928185	870672	920941	640376	587083	232160	258296	243986	249351	243890	238461	1415874	1403136	1396084	1456918	1334562	1393692
FA methyl(8:0)	25900000	37200000	29300000	38800000	28300000	26000000	15700000	25100000	28800000	26600000	33200000	23000000	28000000	22900000	20200000	25100000	21800000	20800000	19700000	28400000	20200000	17600000	21800000	37300000	20200000	26300000	16900000	35500000	28800000	29200000	36900000	29100000	27100000	40200000	18000000	25700000	14500000	8711463	7229641	10300000	11000000	9743931	53600000	15500000	16000000	11600000	18600000	10900000	21400000	10700000	26200000	13600000	21500000	9131502	15300000	13000000	12200000	218078	228045	226154	235247	209705	224294	9465782	9381149	8942091	8635791	8713763	8498222
Rishitin	178015	231906	225044	219212	264874	269421	251668	212980	226997	243728	231130	236535	245464	224142	225463	233681	263808	226109	205142	223976	223444	225150	275481	257488	213860	249472	268341	297499	277112	268672	236048	207763	220047	251899	235612	253666	219531	211403	220301	238134	290695	230124	231228	208651	243378	237433	267290	226513	192904	242502	293323	269735	242345	265642	253893	237941	249338	183568	205028	216656	224817	236280	222249	254166	200143	233396	236293	299158	287707
Orthophosphate_1	28200000	28000000	28200000	27100000	26800000	27700000	27500000	30000000	26100000	25800000	25000000	26400000	29600000	28900000	27000000	26300000	26200000	27700000	28100000	26900000	26700000	26800000	25900000	27700000	28300000	28400000	26400000	26400000	26300000	28800000	29000000	29400000	27300000	25300000	26000000	29000000	29200000	28700000	28100000	27000000	27700000	26800000	29000000	29600000	27700000	26500000	26500000	27500000	26900000	28400000	25900000	26200000	26100000	25600000	29400000	29000000	27300000	164398	203710	202212	215404	215971	216070	28900000	28300000	26200000	26500000	27300000	28700000
Tetradecanoic acid	1398410	1543161	1926487	1785127	1651323	2039663	1847135	2120237	2532982	2309108	2026711	2617516	1341291	1491743	1436185	1509048	3118790	4714146	6458917	1347073	1566509	1515135	1413498	1938365	1856033	1404721	1838384	1980921	2388297	1357875	4600909	1965191	2687970	2089492	2839649	8060468	4015752	2730037	4576123	3251305	2283887	1973642	13400000	1729784	1835365	2068506	1572273	1736587	1418685	1519587	2334130	1388546	1587256	1448415	1283048	1590637	1523396	195306	202730	212695	213572	206340	174284	3384780	2983275	3069704	3118979	2732695	2742359
FA (8:0) octanoic acid	11500000	12400000	14700000	14700000	11500000	11600000	7232538	10400000	12100000	12500000	11300000	10400000	13700000	11400000	9090679	10700000	10100000	10000000	10900000	11200000	9518171	8894402	8283455	17200000	11000000	10500000	8349575	11800000	13900000	14600000	16400000	15100000	11400000	17100000	6885676	14600000	7333808	6671654	4721535	5684092	5619620	6585056	22600000	6360465	7205948	7457382	7269680	5503805	8012703	5511571	9823336	6195667	6504566	4689078	6736379	6570627	7216042	196790	208775	234757	212652	202206	213155	4716329	4695813	4618630	4306912	4866166	4734597
4-Hydroxyhexan-3-one	641932	664741	546500	653913	788320	528638	815627	534428	594018	625238	535090	593980	757945	546855	481985	567963	516539	644690	682304	478552	457995	457937	593514	687869	727521	468053	500361	601893	673001	822103	822499	684808	477480	619421	677583	824783	519640	348158	313137	491026	388855	536368	1117201	601586	495174	357921	277424	531712	334485	304165	374755	321771	310255	388529	373090	324527	419929	193800	223986	226773	206726	224301	219534	746920	354436	399267	362921	339540	350380
Dodecanoic acid	2591174	2765608	4186006	3983224	3983061	4097829	3252298	4154878	3455649	4126699	3148647	3716049	2398759	3423587	1815380	2557189	3061958	3494995	2830552	2669220	3209211	2739922	2284163	3217662	2826250	2702699	2888200	3747155	3656737	2765125	3561622	3307454	3188721	3769452	3075353	3111524	3071130	1757379	2411089	2830974	2359953	1945033	5413891	2930821	2235767	1980206	2303139	1606419	2423029	1813000	3073766	1769507	2160667	1513581	2097862	1879337	1488831	176414	193524	199451	190134	208302	183663	3919087	3479723	3344800	3103533	3240617	3097023
Orthophosphate	60500000	69300000	64600000	66600000	64000000	65100000	58200000	63600000	66000000	65700000	63200000	69000000	59100000	59300000	69500000	64600000	69200000	65300000	57800000	56700000	61800000	63500000	64600000	68300000	62200000	60700000	60700000	62700000	58900000	56900000	58400000	60100000	57200000	58500000	51500000	55300000	53600000	58500000	57900000	58400000	54500000	54900000	66600000	76400000	64900000	68100000	68700000	67000000	69500000	67600000	67300000	61300000	62400000	65100000	66100000	65200000	64200000	98576	0	159504	175054	187178	192063	65500000	63200000	63100000	61200000	61200000	59700000
Maleimide	278689	231602	276524	227931	306177	300130	237373	242104	225224	229636	284802	219184	226607	245777	221769	286896	304901	301113	251619	229598	196568	217019	222867	327621	240818	213668	234368	237414	234047	335360	264626	244704	249730	254933	247860	244533	231755	231374	240163	221113	273703	229736	237133	248922	257002	261302	241726	259990	213506	216750	218994	263645	326235	250271	273697	275297	375425	188864	198509	176417	173595	193016	191154	225553	142780	258848	228456	256166	273874
Hexanoic acid	2609896	2555146	3439995	3482159	3014583	3479380	1859273	2493470	2990804	3410868	2835168	3480324	2569372	2665168	2178837	2935691	2934560	3319166	2808947	3332267	2459413	3067269	3044074	4226144	2269133	2206137	2760327	3442390	3905416	3833658	3298404	3225970	2845071	3893810	3433531	4398870	2595247	1954305	1902335	3362312	2334364	3063335	4217736	1405154	1970809	1882449	1505640	1501452	2140477	1925105	2620843	2356390	1844384	2027318	1587733	2032234	1841472	168790	168031	175561	173333	203266	193916	1253402	1388809	1560960	2286263	2245290	2249208
2-6-10-Trimethylundecanoicacid	230277	187244	184076	208236	163329	185388	187443	163539	169612	195348	200881	171904	192851	208345	198539	196884	230775	183686	197820	201379	195037	195460	199847	162728	177118	210539	192144	199884	186311	183364	194580	173718	199491	179879	156260	165584	177230	184090	179876	190949	159140	178012	187331	214748	178413	183515	170333	191537	212440	178113	192657	194453	166834	185630	188274	168338	154267	176270	176032	161444	168563	166402	164885	198498	168141	212604	165154	159542	161533
FA (18:2)	549146	216872	484905	545284	279216	1078671	262355	715995	243588	1090682	159112	703858	517581	375557	308130	352346	315381	1274068	339441	251272	309174	301884	147645	566995	1174327	195491	376308	669591	978579	223184	1417396	820247	678844	366752	600408	609778	1111827	895228	2914586	1213345	1354564	771694	1235716	1449576	305285	1149699	638931	362497	353544	308991	610124	298625	350856	351757	710445	572046	598662	156764	177212	155816	164676	162247	166006	3427398	2631344	2521608	2426655	2349698	2168621
[FA methyl(11:0)] 10-methyl-undecanoic acid	195160	225072	185326	168851	167748	186365	198591	206992	171825	169756	183920	203735	254461	205589	209976	181742	197148	177860	178662	175890	163295	160781	162744	217616	224638	166817	181184	204573	190652	185860	187951	183886	186338	180082	159443	173949	193810	183953	186898	182979	210251	203509	191728	184694	169799	211656	219154	177868	198220	200262	194444	183980	145829	198325	189721	158435	190586	145325	155790	141426	159086	151774	156758	179298	191196	196345	186704	187385	203693
Scytalone	386740	365250	395560	409527	464508	404066	390722	419152	457641	494650	421886	399099	350669	369412	344617	449948	480000	461500	410325	461295	399876	403146	489746	441913	366759	472057	421786	441481	374432	342890	393475	376306	452321	514792	433161	466226	487514	499569	413036	418441	472645	476353	396198	351926	397799	378394	496661	440833	412398	522993	426948	442838	451920	407494	500831	518088	493505	163619	152315	161936	154336	165390	162914	434868	363406	439308	427497	389442	425885
Ile-Ile-Lys-Pro	242063	233752	209369	258087	285347	252195	170072	217021	229872	237314	258640	253586	199468	211580	233312	276632	248160	272363	183631	194083	262489	256278	315168	250166	173318	180323	231707	257908	260752	262339	176058	168675	214121	210094	234912	234530	133219	187623	191298	257351	208688	254325	224581	186331	224577	219346	239506	222721	249480	269922	272447	272816	265373	253111	270114	271971	244975	77700	107541	116848	145056	161013	166757	225487	232507	213732	200897	266658	215750
(S)-3-Methyl-2-oxopentanoic acid	2620170	2152098	2870753	4193336	3756799	4165644	1055655	1230884	5550944	5964649	6917795	7294441	1738267	1519358	4123767	3758600	3594319	4717791	2406887	1842828	4652953	4952809	3503686	3367713	5269784	4024257	7810153	7878241	7838565	6627064	11200000	8319718	8275130	9682290	11800000	11000000	12800000	10200000	8971699	11900000	11200000	13000000	2145072	1226718	1315795	2251225	2322350	2286331	2010916	2855101	3216517	3401226	3217712	3774336	2287378	3520611	3026112	60407	102344	111673	140021	178270	164172	7523352	6205188	4232468	5367805	6343043	6708445
Orotate	25900000	23500000	27300000	24600000	26600000	25400000	22700000	23600000	23200000	23000000	22700000	23700000	23600000	26400000	25900000	23500000	24300000	23300000	24100000	23900000	23100000	23400000	24400000	25500000	24400000	24900000	24100000	26000000	24000000	22700000	26500000	26400000	23800000	23500000	25000000	26000000	26700000	27700000	25500000	27400000	27700000	25700000	25400000	24800000	24100000	23100000	24000000	24800000	22900000	23500000	23200000	21700000	24800000	23600000	27000000	24400000	23800000	129293	138820	135332	131040	140615	124308	24100000	23600000	25700000	26600000	24500000	24000000
9-Oxononanoic acid	908672	305473	326317	321470	360895	398996	331412	257373	429476	290906	304194	314611	603446	494258	377187	317566	278702	293118	280913	440806	576328	331836	371535	304937	938754	340954	274876	506126	279069	385359	543456	352807	369237	323618	264191	349847	301382	606880	376470	423220	316725	341695	286051	431723	469296	317224	634556	341995	337661	498425	285735	313033	295035	489081	309107	417770	348737	120289	125848	121986	130776	149406	118439	289216	370690	384982	324817	295167	290669
4-Methyl-2-oxopentanoate	5178799	5959940	12000000	12300000	13500000	13700000	3041323	3485707	23400000	23500000	26600000	27800000	3754191	4204111	14600000	13600000	12800000	14900000	5366121	5003807	21500000	19100000	12200000	12600000	9870982	11900000	36400000	33000000	32000000	21000000	25800000	21700000	37000000	45900000	37300000	39000000	30600000	32600000	37500000	50100000	39000000	42000000	7772363	2230574	3814536	8134342	11200000	10000000	7965816	10900000	10900000	11100000	11000000	10900000	7745060	10900000	11700000	67550	94191	123317	130007	145967	144345	15500000	19100000	20000000	21500000	21600000	22900000
Phenylhydrazine	3204721	2649740	3359418	3589947	3205914	3245214	3173603	3437546	3590772	3781977	3474791	3751140	3000496	3285166	3461648	3669428	3625931	3406985	2776869	2895243	3592479	4304745	3226834	3511885	2050742	3123691	3336660	3310261	3274666	2629966	3108802	3262644	3215222	3419315	3222137	3014659	2920860	2970498	3398764	3262833	3270018	3025453	3258988	3754379	3296930	0	3606850	3601466	1906832	3379367	2102017	3082612	2994874	3207056	3002220	2997252	3302916	33069	88482	120818	124427	199006	0	2963218	3322786	3444035	3534179	3313713	0
(R)-2-Hydroxyglutarate	16200000	14500000	6082892	5625353	5739723	5467132	9935312	10600000	3389351	3330090	3200196	3106135	8857285	8936185	8435652	5195014	5954529	5435677	7415564	7112952	9512330	9029782	7873987	6556701	6577374	6930494	18600000	14200000	11600000	9762183	6663850	6300074	22700000	16600000	14000000	14200000	6548394	3010906	15500000	15700000	13400000	12900000	6122774	7521090	6547619	6208100	5464564	5378380	5618394	5512689	6263228	5254513	5787548	5517489	6466543	5532372	6069103	90639	94376	101405	110063	110068	116472	8942659	8773589	8303979	8020493	8477471	8514301
FA oxo(8:0) oxo-octanoic acid	113743	91804	106811	109582	113111	139135	86607	89740	73034	71401	117526	127947	85080	87598	104690	96299	111179	130912	122922	119958	150187	95322	96303	110400	97359	89003	76464	126334	125271	127570	95485	127382	79773	86696	119665	128513	123266	86026	82374	88000	94427	128270	104613	80853	75367	109996	72854	79938	125836	93940	105221	90565	102080	95665	106671	80681	110926	89942	96030	94137	109334	106303	87038	101879	116383	78754	107048	98164	121681
7E,9E,11-Dodecatrienyl acetate	220783	280841	191591	348928	222070	276284	269077	474449	223501	449274	406017	268962	277621	220556	414989	181730	225451	228850	204355	262368	331860	223370	526358	236793	290444	347819	196907	325847	483367	289415	270752	221955	293170	431474	343522	329131	175428	210444	227705	215138	294331	241718	244535	167924	287332	173929	250395	152040	201895	234455	198874	171636	191401	160158	232801	263299	181872	90664	102419	106566	104350	110041	116781	170952	198268	200567	207759	272280	287384
FA (17:0)	394626	368755	427587	484693	507781	564682	369930	874219	552579	635434	300859	559659	448224	387840	505651	363959	485464	1214782	610460	431692	309299	325410	368487	733796	496600	369113	309458	411289	415659	299411	727723	521683	402857	431966	496198	613896	764443	735256	1162025	617954	661124	559954	1611895	541256	451496	533902	452254	464633	349966	340891	696979	340404	474559	318930	421280	393747	504654	101217	106922	98049	103163	96362	99229	981556	862669	853176	838316	763972	800472
[ST hydrox] 3alpha,7alpha-Dihydroxy-5beta-cholan-24-oic Acid	234238	246382	266390	240595	251209	326968	540544	290215	264333	349199	317131	0	323943	450387	359129	286785	296242	280970	301158	273578	303057	294505	244355	239253	243534	264616	310546	251511	311769	262413	211595	232691	271878	292580	279534	361679	247400	242893	324701	284233	338403	233058	223029	263608	390573	270502	219950	335117	323954	369287	317267	373017	263997	269160	304832	357620	280631	98318	99291	106479	100645	124376	102547	274390	261452	302355	366374	304150	341061
Imidazol-5-yl-pyruvate	0	96923	117525	261780	265899	233284	80156	186834	401492	302596	181204	268463	114399	268750	228951	256254	193107	223312	389625	377166	681239	480787	179244	182360	380899	410077	1298788	927352	793757	465821	674149	688368	956775	736651	907177	589008	677193	794200	1048598	855256	785371	766149	121992	0	0	132180	143709	105703	167105	190755	137796	107126	138261	148432	126351	89765	127452	32069	46423	94076	96679	80961	80171	435384	450628	399191	462260	403819	159630
Decanoic acid	3920777	4293720	4735883	4347457	4005718	3817464	3357002	4160341	4938724	4593069	4285814	4161028	4295209	4946135	3162953	4093453	3806145	4599848	4086656	4184641	3466570	3615983	2995284	4913442	4255026	4538525	3821778	5230683	4481812	4946790	5760556	4786751	4457311	5924619	3679964	5052405	3602718	2479816	2344528	3127657	2080969	2293907	8530138	3299562	3369639	2374266	3230292	2940071	3363414	2743909	3973601	3100102	3140839	2663454	2863337	2978705	2804431	77542	84975	94162	94089	87844	84530	2062196	2153628	2066276	1881326	1904186	1982765
FA methyl(14:0)	495464	419349	513655	463510	436074	508097	571561	540034	438045	550469	314260	478369	458974	435362	331138	362234	411375	1047281	407864	486917	421879	304808	304043	902653	687857	491520	509618	545584	495351	313758	1172992	444164	667882	462460	618135	781574	981211	763636	2215620	617038	480962	449702	1028164	519542	512816	427845	378162	382690	363930	388238	984355	302389	370094	332001	321340	407152	623914	87713	100449	94024	91489	95475	96245	722271	704489	706738	621026	580537	574740
3-Dehydrocarnitine	1032542	414982	772829	900734	1197961	1004856	973382	702051	654503	884127	832913	837446	1193398	823774	687146	758137	844593	456543	1209246	815866	894796	1003986	1155787	927044	1412706	1060974	634067	825449	1115905	525676	1421212	1272684	896978	888961	1240098	1299687	1303307	1037297	907092	391582	1297968	1412732	777405	1318080	661107	722139	617841	622478	772843	684277	480366	375868	365813	312954	1337038	1039081	894701	71092	98505	99198	86644	121607	123680	1023633	1043829	852213	820848	1248949	1225576
4-Hydroxyphenylacetaldehyde	273448	185822	257804	225386	186541	178505	356793	238047	253038	260787	285727	171626	514096	305642	395386	239434	273668	325981	413537	284260	276713	309806	340689	376314	447434	332647	319571	318390	392431	251470	397535	496245	372344	312346	440339	457725	392284	338492	345420	359536	590063	522414	227114	481652	340328	262247	359940	322145	399112	413656	332307	459096	362441	492605	353531	563088	391284	53308	57921	64466	85472	78625	97741	358085	278144	322023	343386	313168	317826
Oxalate	245876	303919	199353	261668	175206	211880	293703	307012	199800	224422	183517	292427	431591	317653	286430	188287	211380	172934	296375	184330	254080	210124	221657	201874	297012	313221	244159	234780	159834	227569	342852	256625	162843	203878	155630	199119	291318	269487	177974	206167	175445	170062	247554	316936	282737	270717	173383	229398	188611	175082	229428	152005	222190	153531	257215	189929	206909	92332	90561	74111	82512	112128	0	2727877	2829477	2815404	2821462	3017272	2558834
FA oxo(9:0) oxo-nonanoic acid	709113	663368	386689	741763	532894	552702	914414	504696	709754	927996	770939	504380	405957	1065402	540711	641293	862276	667309	563119	662138	520786	593189	668911	797559	790373	332075	673603	1163809	576965	583932	526855	470533	542129	697169	886046	930665	639517	240926	578785	422695	296682	218943	789501	381444	504898	495780	424460	674826	690125	574323	944473	639938	771197	446451	196819	398292	529009	79225	85056	86479	82366	71104	74217	462118	424423	399571	355197	469014	433136
Hexanoyl-[acp]	119743	142567	113340	0	159155	82186	130602	155322	102842	155234	119993	118566	105751	137440	157253	162387	138922	126668	147588	108775	134688	144572	141138	149702	147216	143678	160666	142456	132224	139114	133671	175864	131781	111826	145412	150039	207182	142677	106462	132659	101446	173791	146686	150974	146579	145684	117550	162797	129737	152677	165278	131477	117455	114534	133649	251941	137922	95310	113613	107865	82160	108234	100005	112638	124416	138973	109035	122034	120171
4-Imidazolone-5-acetate	224001	179053	121520	124222	120588	152449	254967	242735	130436	88845	128407	151462	287137	210747	155301	142142	158965	136430	306481	204586	110060	180460	129380	132433	265785	167806	117834	174282	151334	118871	277219	187596	108806	161557	145774	146432	273517	187449	145486	113946	121297	107218	119800	296596	192041	141978	167362	72421	195429	114581	160570	127948	133300	104561	118782	101062	107809	71571	68511	68620	79887	80148	79721	116199	160602	232776	147783	131590	182586
Bakkenolide A	173922	120212	128103	156883	146747	180861	138472	155784	164178	174060	169008	213068	143888	160876	179230	158229	158239	209580	146889	162685	119780	129355	153915	201319	135367	211531	148540	160600	158958	188747	168559	156408	191241	131428	172961	261992	138487	137932	155142	117257	109277	143850	267551	142001	120500	209437	158099	159399	165380	187709	179777	170484	170310	148481	169430	208902	215307	64914	74035	68752	71090	72630	67048	149779	172307	171708	186933	192777	192616
Val-Pro	7954848	9086996	9223360	8387694	7705898	8258571	7893380	8695964	8618940	7370616	7414235	8048228	8066444	7814413	8795917	7126922	8584586	7896037	7650775	6877632	8250085	8001692	8258327	7964316	8671323	8098312	7795401	7798847	7987671	8104378	7418487	7713162	7483858	8262167	7741354	9804221	7099632	7404649	7509076	7875527	8097405	8257766	8700323	7901480	8433315	7945742	8146098	7619109	8663810	7992242	7482734	7981714	7646563	7893909	8927626	8517501	8032643	14456	46468	70058	69466	79661	82400	8237900	7756212	7522467	8703903	8251224	8625941
5-Oxopentanoate	1796969	1788635	2042417	2050219	2151093	1993817	1471360	1801754	2253413	2251191	2295987	2660856	1710414	1669223	2185519	1972451	1975435	2156067	1675653	1472670	2490924	2298013	1978478	2128655	1742544	1895418	2456590	2503615	2189751	1835910	2594902	2807513	2639922	2874206	2851863	2773573	2590210	2327792	2558170	3170104	2570693	2573552	1812783	2018359	1853057	2021476	2073731	2133129	1923038	2030274	2128775	1773139	1905141	1863899	1839770	2144854	2121098	40304	46176	62047	68348	59546	62637	2149008	2392179	2121480	1730405	2059607	2284042
Butanoic acid	291757	232640	291824	243430	144600	177050	288652	222301	203205	257401	187356	262831	382954	291099	418972	233966	205370	197012	560741	383731	381251	215868	166934	215137	720347	526984	298503	297503	166863	111563	997157	797692	395502	307763	240852	200891	797225	724099	511704	323667	263566	227554	220781	299048	221530	321211	123032	138344	169807	142724	252198	119213	135378	107817	100547	94535	186316	54928	56297	88524	65027	63633	62899	505092	431675	420603	303919	255509	154478
FA methyl(6:0)	2218722	1847977	2617527	2176533	1875995	2058323	1577277	1804292	1766543	2149305	1686184	1482162	2193816	1889916	1439586	1961328	1780844	1957024	2029767	2212997	1630729	1449122	1338206	2630354	1995739	2006857	1514119	1800540	2690435	2747558	3222738	3110392	2222276	3031513	1387427	2481888	1733731	1176722	964572	1406627	985180	1390743	3170483	879690	1281376	1375397	963342	928949	945354	914019	1113066	1016473	1041034	911995	936585	1035760	1118136	55372	58039	60567	63757	54331	68183	1039079	925369	910891	1121539	1021326	1037311
(R)-2-Ethylmalate	9083482	10700000	13300000	10700000	9223648	9972050	7868606	9971741	13400000	9547159	8382550	10100000	7708616	9567266	12800000	9035896	8898814	10500000	7420358	8512502	13600000	8312049	9067603	10300000	8120279	9413447	10100000	11000000	9030794	0	7727726	9664888	9458715	12100000	8984041	0	8051388	9421243	9938559	0	6690908	10300000	10100000	8597344	9240695	12700000	9517526	9052681	11600000	9874839	8105879	1486958	8601875	9037333	0	9443601	0	39698	0	52164	62845	56344	59252	10400000	10100000	10500000	10100000	1676639	0
Ala-Lys-Lys-Val	460598	513628	448884	480700	503626	472348	453655	406932	453887	464075	463816	461216	435201	470453	452715	421965	449492	462096	412802	510807	427769	507666	468155	431655	495272	490630	435003	481779	511062	439409	569974	433392	442554	488838	449743	463096	477029	431059	491547	478436	488443	453240	528743	471058	457402	436546	449398	430264	436038	472936	484217	509328	502797	461293	522186	476889	471436	53944	62066	66343	60879	60798	57965	439939	470049	460855	446394	470333	433372
N-Acetyl-L-2-amino-6-oxopimelate	5617438	4972433	6912004	6475905	6230231	7858768	3627627	4592629	7600281	7619323	7410779	8599613	3400675	4668583	7554320	8181523	6983036	8700536	3441656	4031696	8045103	8529623	7796047	8472073	3436008	4604396	7266517	5810867	7268212	5456592	3631447	4725417	7775706	6024108	7080389	6192897	3574973	4555930	7093272	7875629	7284083	7326132	5577623	3576366	4080366	7577455	7157527	6957005	5686353	6664302	8348165	6805527	6659730	6757391	5514261	6900558	8477331	50069	54826	57194	59762	56414	64578	6477142	6373660	5697518	6111383	5464166	5937226
3-Propylmalate	200942	172591	162062	175881	172328	181042	196293	202154	189884	162919	173123	160573	233249	203069	163739	155630	169058	164119	252356	230720	272461	249943	162676	168840	340822	439770	286476	312652	245983	253340	623150	679064	325555	336510	269860	359548	675801	563596	303813	390778	275450	222729	232979	192742	180569	193112	169587	143342	148403	160305	145849	168035	181856	183626	189494	194030	180888	47985	55638	60872	59032	57896	64734	293267	293401	266210	230625	278798	320321
Phenylpyruvate	0	0	751282	613099	629859	722612	690992	751329	5124558	4795097	6419085	5853258	2190139	2781748	3942923	2553610	794240	891493	2802751	3071817	3763485	3081623	2995450	2576000	1342290	1686999	2187762	2374105	4532316	2745409	1582356	1533204	1957792	2154716	2501241	3494644	2425313	3053186	2846556	3085278	3632331	5033490	0	0	0	0	688630	499209	0	971789	0	611605	0	1011304	0	875730	0	26595	35336	31724	55667	41657	37189	1776378	2640633	2275811	2401728	2838863	2651414
FA (20:0)	121746	236289	223828	222356	299166	379857	143615	334988	187596	396921	142826	234436	231799	206942	252753	170935	180182	652078	347237	130188	134877	127272	140941	215899	198376	155625	152116	175352	190620	120729	230430	191271	170599	148444	308913	322071	316451	195395	276404	389282	353345	303335	779117	265876	216298	337285	261503	235667	191409	175749	329034	176200	242366	217969	228540	244281	224777	46020	51885	48076	54816	43298	49753	628134	517819	543511	505876	499775	459422
2-Octenedioicacid	168489	142345	167861	123351	153422	184691	149392	178686	140823	135228	141027	155145	133973	126336	131837	137231	139556	184197	155219	134126	138547	118545	146674	129892	149327	155880	140331	146860	171239	142686	135205	132955	147182	133948	152848	134276	143499	148924	135621	152389	165181	162763	141933	121954	139942	146108	129898	129374	160363	158247	134265	149080	129472	114706	183710	140202	125320	41263	41885	51030	54378	51628	51484	129841	149642	153615	146182	153913	147875
2-hydroxy-4-carboxypyrimidine	1344872	1161865	1017431	1148385	914982	962100	1699803	1458969	1149117	992645	863315	720501	2086401	1404951	907239	880245	1032061	656092	1815935	1555820	1141309	959052	934263	586919	1821153	1619126	441770	1172790	365272	1007052	1854445	1625406	449648	1242538	335223	1289194	2239382	1750300	458960	485497	378529	508687	1005694	1966130	1531917	1042608	310008	365566	1036796	356067	910006	319152	870281	270784	1108833	395129	621945	48018	50178	53958	52182	51607	47111	1301252	1234495	1244561	1205485	1244648	1167581
Benz[a]anthracene	3651170	2836743	3785151	3427617	2160966	3848232	2899039	2573425	3350145	3482159	3950329	4164649	3084596	3098978	4009922	4001373	3384761	4296694	2830428	2584128	2428136	3556301	3762181	4540666	3288281	2991530	2911113	2629668	3284845	3368490	2933916	1590217	2594219	2758696	3253339	2661443	2958102	2936707	3334504	3013572	3678201	3934456	3189655	3181514	2704776	1775637	3018552	3103007	3084209	2939440	4066432	3635925	3876135	3529915	3342071	3430925	3611562	0	33288	48008	51150	58181	57260	3709274	3263474	2756670	2995902	3487844	1443785
Swainsonine	180707	182571	178325	184198	171712	151652	245953	245541	190115	159926	178411	175377	234737	210120	194033	180676	152742	169979	241178	222306	209178	207627	203284	171560	220762	201949	147981	217786	155345	200864	234533	261283	150238	177182	144739	200835	243638	253233	177452	165455	166690	186057	186895	204563	177413	172243	129804	122845	216889	131614	242634	166042	168160	139371	194849	169038	171888	41910	50222	48160	49964	52518	47281	184650	192570	216180	213950	151839	195541
FA(16:1)	591636	194305	473199	410201	323577	567009	588520	324799	334253	290246	244482	441495	599363	488775	112528	225714	207792	1234143	533745	682510	902141	318770	150915	794671	1556399	731249	1475289	1257142	1775676	1244308	11200000	2327306	5391609	2577569	4884103	7800311	10000000	6947033	10500000	3494356	2968040	2812290	756040	399984	368407	470582	239670	279648	176445	304287	280900	204873	171927	267207	252072	255826	1017432	52398	59337	55398	48110	51681	40756	2497124	2571154	2466081	2603173	2316121	2486348
3-Methyl-2-oxobutanoic acid	17600000	16900000	19100000	18600000	16900000	16500000	16600000	17700000	18500000	18300000	16900000	18300000	16100000	16600000	18400000	18500000	16700000	19300000	15900000	15600000	18000000	17600000	17600000	18000000	17600000	17600000	15500000	16600000	15100000	15000000	16700000	16600000	15900000	16400000	13900000	16000000	15200000	17200000	15600000	16400000	15200000	16500000	18000000	19100000	17100000	18700000	18500000	17500000	17500000	16200000	17600000	17000000	16200000	16000000	16300000	16300000	17800000	31436	44801	42605	46962	53634	48501	16800000	16200000	17000000	16900000	15700000	18100000
3-Ethylmalate	34400000	37100000	36300000	35200000	37400000	38800000	35800000	35700000	34300000	37700000	37500000	38600000	35000000	35800000	36400000	36600000	38400000	39100000	35200000	33000000	34100000	37100000	36400000	38100000	33200000	36500000	36300000	32900000	36300000	33400000	33700000	34200000	33100000	30500000	29500000	34500000	31200000	33200000	33500000	31200000	32600000	34900000	35200000	38100000	35400000	35200000	39200000	36100000	36100000	36100000	39700000	36700000	36500000	37900000	36400000	37200000	36700000	41321	49193	44144	46382	46823	47976	48200000	42300000	43500000	40600000	41000000	40300000
PG(36:2)	82107	72736	49653	70656	74346	63363	74621	96646	74480	67521	65671	70273	113472	144354	65631	63155	60517	67304	190531	275033	93395	79527	84490	69596	152076	147560	118863	124877	218471	194161	390116	491360	325726	383269	946280	869239	585968	614849	477596	510585	1322549	1067329	59621	59041	52956	62001	66197	70816	64965	61878	65007	70246	63371	61346	68607	58841	75424	39261	44090	45257	43644	44365	49991	242379	257034	279658	246177	255449	259965
FA methyl(12:0) dodecanoic acid	389688	369582	499470	431657	427583	465082	429187	413341	463534	313547	334290	451945	362470	507073	254528	316237	343009	483819	377711	407873	379315	305876	336913	479234	320197	446450	380645	414437	412057	374132	494634	375124	422455	401329	420206	361224	357265	255404	379734	379997	266216	200105	707178	316204	241365	211387	213362	207005	235956	253219	311012	224230	205809	226025	202897	247476	243707	34518	34336	34012	40682	41323	34040	217610	244089	232759	250109	205712	248116
N-carbamoyl-L-glutamate	158993	143659	147873	144453	147340	125984	151457	151384	131759	153249	113292	147419	150731	193777	140109	118895	146479	122340	168891	140726	155652	141237	123489	138914	167066	157648	187333	155835	209220	157765	199980	174956	178854	169845	132231	154444	163867	145458	174155	172763	158148	179024	162903	153167	152978	138808	149323	145273	151544	167391	133310	148465	133483	137912	134462	118063	127261	38764	44409	44922	40659	52352	44352	137314	149191	166875	156272	152451	154141
2-Dehydro-3-deoxy-D-galactonate	1086062	1298095	1556626	1260946	1272864	1265490	1146612	1178412	1423573	1165841	1080148	1109818	1080868	1182711	1195120	1007661	1120688	1095830	1013979	1082446	1396146	1292526	1048937	1101670	1160197	1292895	1322668	1330139	1083219	1261684	1190669	1305847	1135314	1402907	1095816	1445817	1156807	1297111	1236787	1242619	1280230	1445551	1470167	1277532	1190129	1266386	1211615	1127078	1342378	1094228	1069596	1166472	1148840	1150351	1490736	1183800	1147344	33568	34036	38557	40025	39120	33451	1493256	1405522	1393725	1310642	1091368	1168727
D-Serine	1418670	1666548	1803621	1525701	1348039	1406797	1175670	1497061	1715154	1395649	1438475	1461696	1162888	1481897	1525833	1300421	1401543	1360703	1283917	1302688	1661601	1223628	1275439	1431547	1383780	1407561	1541016	1739448	1370249	1545172	1268190	1400964	1302637	1712009	1275791	2030088	1267697	1427922	1556220	1394655	1484323	1488992	1535930	1243548	1375131	1711566	1359152	1151781	1659326	1360950	1376923	1286917	1265733	1263326	1689170	1232561	1376605	25667	36843	37182	39662	43518	56452	1574127	1383453	1510476	1393236	1333256	1450498
Shikimate	451003	465580	568744	627355	658764	786032	161094	293314	458804	550659	472292	778044	139140	171628	473623	541562	633668	710420	280821	230760	268783	353774	522496	778804	522973	359907	361302	216474	355515	260816	784644	773193	241562	358940	398885	217131	822535	735605	499722	197095	371365	293266	591562	141304	275175	538570	1050423	1120482	570989	1037073	742050	1052832	650094	1069223	467632	1120110	839442	33215	35521	31728	38456	34102	33715	366859	364133	332637	382294	339109	343825
D-Galactose	3071276	3246733	3150274	2823035	2831151	3025202	2970733	3090369	2914122	2735982	2839020	2818668	3050938	3396756	3089073	2553566	2900955	2947501	3066661	2944299	2909994	2667908	2747327	2935339	3229813	3096860	3276140	3066661	2933821	2809353	3008455	3360116	3139444	3319394	2775490	2954147	3040302	3293126	3471134	3141968	3127318	2779783	3296283	3303186	3148712	2820169	3180854	3192328	3336585	3120342	2948338	3187843	2827557	3053366	3113759	3163571	2838036	31317	42728	35523	37602	33641	30346	3157780	3118495	3028515	3018012	2846624	2964781
PE(36:2)	60988	53941	0	0	0	0	59532	83668	0	0	0	0	180361	158761	0	64572	0	0	391181	407190	90132	91686	56374	0	192648	224723	149181	137157	205762	189711	630045	564154	400506	532516	678333	687378	807482	686797	475125	628063	880828	751566	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	29267	0	35960	37449	34485	33753	311031	330743	343885	376655	352613	356569
L-Rhamnono-1,4-lactone	1712577	1784403	1160395	1872719	1855714	1903689	1945511	2196547	1810995	1697414	1017198	1837842	1875358	1944418	2055470	1687652	1742628	1932341	2039358	1839044	1543316	1670738	1858969	1647625	1947152	2160879	2036165	1997446	2099186	2053515	1915738	1882742	2153823	1361279	2109537	2174012	1903376	1954054	2056849	2236704	1973460	2267568	1937745	1811983	1963703	1606428	1861615	1979148	1991434	1952991	1827864	1837479	1663426	1850148	1803026	1826723	1757356	30437	34132	40107	36583	35407	36196	2004714	1895439	1893095	1808997	1647297	2229746
Sulfoacetate	64301	60059	61982	59900	64601	63743	65987	53436	49015	61977	59187	48748	59520	62308	56141	37198	38962	50017	76185	60323	55988	45042	41940	35710	61661	60740	42505	34895	37304	58385	63041	68754	40765	64265	41255	62050	74806	24701	41690	39014	38230	30576	38559	69397	61518	50156	30734	36715	77685	39026	48534	42159	25334	60207	55299	49887	42037	42695	42361	46283	36375	37967	31116	721631	768611	652294	758569	671490	685696
FA oxo(18:0)	162720	173491	167231	202900	187053	199258	123975	197652	549600	618191	534251	734657	202437	166535	147061	141431	547574	824202	236166	171822	216950	158095	165872	635941	316783	190619	256980	373102	349594	179880	3592375	550964	521245	330455	526496	615482	3872507	2058583	806699	418872	449509	387689	365233	215952	153603	231107	140317	188839	166429	147672	252519	162744	185729	163848	165276	170271	167058	27305	37037	36450	36289	35511	45942	945179	805510	830709	815008	778322	962894
Phenylacetic acid	715445	0	235402	605306	250781	0	384409	696618	305612	673475	460342	768535	394200	286690	273219	288006	709125	295805	285404	562949	640856	357970	602434	560997	383907	353260	806940	556812	523501	722611	688903	379296	856070	1056594	735565	694130	540447	398278	559473	695264	585670	842986	562188	430531	503217	599848	512246	986266	796662	749476	1464310	1136091	595150	783269	644512	634818	664087	29086	33712	31617	36203	33448	32163	532407	703255	820548	352947	651676	811674
D-Glucose	14700000	20600000	23900000	19100000	16400000	16800000	13500000	16500000	22800000	15000000	16000000	17900000	13700000	15700000	22600000	15000000	15600000	17600000	14300000	15800000	22600000	15700000	15400000	17600000	13400000	16400000	18300000	20700000	17800000	20000000	13600000	15500000	16500000	20600000	16100000	21300000	13700000	15800000	17000000	17900000	18100000	19300000	18900000	13100000	16200000	22700000	17700000	16500000	21900000	18200000	16900000	17100000	14700000	17200000	23000000	17300000	17300000	36704	37287	36192	36139	36046	36826	17800000	16500000	17900000	16800000	17000000	17300000
2-Isopropylmaleate	0	0	109569	73870	67045	84365	0	63517	104894	85168	0	0	150043	93283	106196	0	0	0	150669	130289	240081	112780	56125	0	314622	286098	358527	174407	117818	69968	421837	516277	430906	319247	157983	105296	408897	253162	400113	226476	133766	132912	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	35514	29351	30535	35635	33388	37525	265220	181607	176594	133966	96451	79662
Glycerol	984023	883183	1208834	928178	830135	934523	853295	727314	1188891	1134814	1245628	1109017	988181	915852	803124	1077659	1152335	1326698	840243	747960	743572	915547	796267	1175093	1277017	1031546	864811	1441100	837355	983427	1097073	737494	940960	922838	802121	892538	783627	577051	552612	573905	539037	547936	1907488	911727	814750	886503	947146	980503	709130	1024920	697840	805714	545146	842101	840826	927579	1179094	77977	58727	43710	35378	28026	28594	620709	414383	377487	420460	385879	334126
(R)-3-Hydroxy-3-methyl-2-oxopentanoate	384617	328763	288729	291983	261463	290251	427561	382814	236178	246734	242632	239936	413516	389772	251404	187663	273094	230941	462429	394329	349745	255479	242291	180429	445996	395779	177705	245957	150227	311161	499995	393910	354182	315294	206560	356871	435997	385886	406827	175620	257090	237902	271435	421556	357355	294803	129698	142381	367849	121792	280518	138593	264795	125322	337494	128247	170457	31784	30665	32980	35124	35549	34555	319487	312469	283924	289412	301960	336560
Maleic acid	750369	1062872	1326744	1181948	899601	1110839	543259	868603	1350679	1221379	988712	1290500	447491	666391	1358756	900993	1036797	1455104	436771	568397	1116992	758608	946048	1276425	477119	638345	910585	975712	1015046	1181345	353881	578831	627238	927621	791334	1090378	327028	467490	693344	681060	972695	83700000	1025289	506815	745997	1636137	1067681	1149484	1446063	1081021	946377	973314	1018162	1141910	1305725	1023089	1174966	21044	28482	32520	34851	35319	28908	857205	912848	904185	864851	911660	985410
Succinate	5827298	5593732	17300000	16000000	16600000	16500000	9893373	11500000	34000000	29200000	31700000	33100000	18300000	19700000	13900000	10600000	10500000	9610358	32800000	28600000	37600000	23100000	7068174	7540392	55800000	53100000	75700000	64200000	20600000	15600000	98300000	96700000	96900000	92800000	40800000	47300000	102000000	102000000	98800000	101000000	50100000	51300000	11900000	15800000	13500000	12300000	6462754	6819073	12200000	6487661	11500000	6525049	9876386	6083974	13300000	6697411	8513139	0	30406	31292	34683	31812	35603	45700000	44300000	43600000	42500000	42000000	43400000
(S)-2-Acetolactate	2121341	2284791	1638514	1205819	1334988	1504337	2543187	2668124	1575134	1229702	1246578	945742	2260848	2263632	1691683	1076878	1290988	988760	2393040	2010246	1643433	1425137	1317150	936492	2747443	2176879	963950	1646105	750860	1381140	2822354	2369223	802214	1899780	803042	2203364	2561571	2603654	715425	1049728	798289	783108	1544420	2630059	2421660	1366983	421907	544506	1593627	551623	1219241	538771	1067461	518472	1796518	564318	806071	30818	30745	32151	31700	28720	29935	1928446	1625081	1744781	1776354	1665528	1813375
L-Erythrulose	2044167	2215275	2469019	2129324	2177962	2226452	2090073	2170869	2282923	1931971	1933217	2019491	2245149	2261829	2432706	1776758	1743883	2072523	2070576	1998212	2601387	1835643	1858963	2154252	2162283	2319676	2022490	2023207	2151744	2331907	1963325	2052553	1903815	2291904	1764586	2514652	2118042	2245568	1921421	2148455	2074763	2256147	2195408	2266306	1961902	2403628	2242748	2122982	2522258	2092001	1821247	1910749	1886958	1876253	2791471	2148551	2059483	22461	27791	33572	31010	34592	33786	2121370	2084877	2043678	2024458	2080059	2344675
2,5-Dioxopentanoate	275887	312724	363151	358147	331068	297902	243702	295926	326760	272733	309879	326658	268003	311176	386583	279181	404960	306900	195121	211326	277076	269076	296415	349774	188294	219947	167522	205135	215736	266855	124171	158385	185231	154974	194669	214339	133608	166048	123211	142313	170461	137470	312268	305197	263826	413204	277768	251750	392122	288877	250032	241967	294485	269062	312114	279019	294917	26766	31697	31848	30965	39666	34694	251815	259721	297087	216412	226662	279301
L-Rhamnose	1177047	1081357	1078708	993747	893447	964823	1147239	1176308	962448	850152	1007744	914347	705982	1147859	1156965	1093282	899796	944732	1087478	1225971	973221	836327	1027984	1003707	1296510	1157452	1209386	1034313	1177784	1302403	1436389	1118092	995178	979657	960725	1159445	1182541	1246358	1113528	1153654	1328460	1183402	1197537	915685	1113634	774539	1126286	1262000	1040009	1009322	851812	859132	894006	1089823	1009133	973774	940202	26905	28152	27118	30713	26867	25917	1083213	1089621	1121438	1272705	1083772	1145586
4-Oxoglutaramate	3290532	3528636	3703678	2958815	2887011	3216111	3324285	3305065	3668847	2753649	2748370	2895032	3561269	3425509	3794807	2461732	2753800	3131428	3369959	3053143	3598241	2766901	2724021	2860381	3450514	3617969	3169335	3552245	2857044	3624679	3505792	3287985	2838000	3559670	2783565	3878960	3496245	3523936	3282435	3082994	2946601	3580509	3489185	3555953	3189799	3661343	2879313	2823316	3595770	2901409	2867448	2850320	2805645	2615618	3427346	3179368	3092826	29593	28356	25240	30497	29189	29604	3096884	3389276	3295812	3013244	3250090	3549008
[FA trihydroxy(4:0)] 2,3,4-trihydroxy-butanoic acid	57900000	59100000	48500000	50500000	45800000	43900000	65400000	65800000	44900000	42600000	41400000	44000000	66000000	64600000	45000000	41600000	44200000	41300000	75800000	54900000	46900000	40600000	42400000	44200000	72600000	63800000	41900000	46300000	39200000	43000000	79500000	69000000	38000000	43700000	34000000	52600000	70900000	60700000	41400000	39200000	40700000	43600000	52000000	76700000	64300000	44200000	35500000	40300000	49900000	42400000	41800000	39300000	40100000	34700000	51400000	41000000	35300000	28093	30666	36962	30181	29399	30847	53700000	55500000	53300000	49800000	52800000	52000000
6-Acetamido-2-oxohexanoate	1291707	2486247	1062997	1315580	958913	1498386	890174	1957300	2076004	2157547	1197992	1119401	2446367	1683346	1953046	1360003	939383	1261574	1909262	1486019	792996	1160107	978782	1031683	1208986	1702182	668486	1550087	1149364	1059290	959105	2060534	821801	1387898	827636	1154533	901943	1708995	696456	1038748	880634	1161685	2559377	2884141	2304107	1806660	2184833	2039053	1591319	1443761	1835290	999944	1016428	998195	1569194	1470179	1479323	22860	25205	38620	29975	35306	38159	2935581	2273829	1580206	1265199	1191275	1316841
2-Oxoglutaramate_1	13700000	13800000	15400000	14700000	15200000	12600000	15000000	14800000	14900000	16100000	13900000	13700000	15200000	14300000	13800000	13500000	14200000	14900000	14500000	12400000	14800000	14400000	14400000	13600000	12800000	12500000	12000000	12200000	12800000	14200000	10400000	10200000	10200000	10600000	11800000	13500000	9966335	10400000	10200000	10400000	11600000	13500000	13300000	13700000	14400000	15200000	12900000	12300000	13600000	13300000	15600000	13500000	16300000	13800000	13700000	12300000	14000000	28157	30380	32983	29873	28465	27137	13800000	12200000	12500000	12800000	12500000	14300000
2-Oxoglutaramate	1211127	1019286	1168870	1175972	1074983	1262961	1192697	1206323	1209119	1112945	1109861	1147941	1258912	1244381	1231247	1468965	906902	1281377	1416177	1147298	1299621	1285563	1214979	1256261	1458571	1350864	1095763	1241185	1029159	1160656	1656683	1374856	1443554	1316785	1041535	1241758	1808999	1527720	1417435	1190446	1305931	1089770	1135859	1393219	1304852	1249671	956694	1006040	1177019	1104412	1418195	955462	1112453	934734	1093515	1022312	1109797	27506	27818	30228	29873	28816	28032	1250060	1280416	1474101	1322329	1230586	1269738
beta-Alanopine	1515323	1328724	1398176	1019132	981780	1682464	1142384	1593431	1588157	1865646	1254410	1428472	2138251	1333802	1963748	1981883	1129926	1617870	1351665	960625	1995407	1820719	1533587	1227762	1251298	1688151	1644500	1869031	1655958	1484187	1229463	1113722	1479607	1939092	1311759	1571901	1446312	1657032	1837501	1603964	1624740	1494377	1715440	1215113	1432862	1940485	1580388	2310943	1429534	1562210	1727559	919934	1453281	1387258	1162197	931487	1556899	23070	24125	23740	29855	24554	24864	1328695	1714702	1463240	1353900	778611	1277911
2(alpha-D-Mannosyl)-D-glycerate	253105	227790	229634	296752	230961	204992	270658	270667	204242	187564	170630	230784	305736	272143	205101	200380	245892	217495	327907	291396	200926	216234	228222	182551	303229	323157	219603	206645	175106	240101	310269	307585	221987	230277	232222	238116	344305	317032	167216	207757	214357	177718	254085	357055	341314	195720	169593	287934	215593	177003	182715	198673	250453	139107	252705	185861	162383	24112	28522	33573	29690	28860	28464	254275	226435	216658	236480	203425	217384
D-Erythrose	3869049	3835029	4062743	3681909	3691010	3538075	3778689	4013534	3923404	3698776	4020149	3483942	3966059	3861875	3616155	3354244	3608473	3399277	3861351	3680730	3830408	3451632	3514618	3428943	3713194	3837402	2898891	3348731	3062555	3764485	3862989	3968566	2939621	3291683	2580368	3979751	3802620	3933038	3029968	3362499	3072642	3160744	4006875	4100902	3805729	3700458	2944980	2939617	3528167	3167507	3282783	3344878	3529941	2971784	3881008	3256059	3433429	22123	25406	29844	28944	31299	32960	3718826	3457158	3463488	3432027	3473611	3912806
4-Hydroxybutanoic acid	444589	659658	231023	255793	274830	237543	1904405	1899231	138028	174709	170932	156517	2241962	2116934	573078	148231	126834	151423	2019914	1939870	1746896	1566212	440118	236672	2223580	2014714	1758841	1494965	2327707	2438337	1804682	1924145	1666659	1567809	2366148	2887635	2066021	1822994	1888709	1616519	2247226	2607658	164500	159814	119803	154616	155606	148664	125381	158047	278995	136119	132971	174942	141546	130386	123010	38571	29946	25052	28058	27204	24750	1268991	1443160	1248560	1261672	1401310	1332375
Quinate	211440	263274	270829	211181	212625	244994	243505	255175	239343	184592	187517	229009	230670	229340	231196	203658	203254	189011	271046	324157	167393	252193	177803	193888	262500	260213	278945	366717	201687	223284	301241	247695	210844	240705	218514	266045	322624	252401	191070	269609	207534	220528	236081	195851	259146	252841	150612	191043	217717	192888	165045	231434	210317	157552	184166	213801	189124	23752	24821	23526	28038	28462	26167	268337	272306	213550	247646	298834	190293
2-Hydroxy-3-oxoadipate	221253	176217	213202	319286	249468	301964	204118	195691	242540	237149	247196	318364	164344	210256	184651	259040	345954	347112	143497	147459	189931	264620	319496	348481	190015	162044	543287	199277	560697	246627	171388	191222	654616	240217	533657	183838	155733	202006	605795	505522	514723	491948	245304	144347	134983	190351	524071	556188	223617	475497	284964	544318	275708	551514	232502	472210	410840	24863	24610	26909	28029	22571	27049	297522	367994	259824	250607	219701	274115
D-Erythrulose	432978	450767	355205	414003	382520	379594	413911	430532	430795	375941	376732	282181	420546	410145	338152	398605	343244	239859	476076	340576	234672	398390	368359	470521	512227	325080	380760	447158	385845	345656	449571	477725	442206	431146	467891	409092	440899	557561	454238	475916	427374	486237	482829	416905	420638	468775	412431	484281	390571	401761	504562	401848	344603	368372	378574	455420	391514	16849	24860	26900	27175	26122	29297	456474	373778	538166	405317	444868	404697
D-Ribose	6907356	7068041	7931490	7542978	7006296	6968847	6597220	7294771	7914618	6495701	6688229	6685738	6543372	7890050	7430229	6769878	6634490	6518810	6816973	7408522	8664143	7093119	6975278	6822191	6856452	7659287	8193386	7952707	7510328	8568680	6525441	8118780	8071937	8465672	7592070	9301570	6515180	7819689	8140933	8385340	7931299	7268951	7677873	6038163	6618240	7498210	6752332	6842791	7544594	6865450	6397606	6955552	7030291	6690161	7728525	7430337	6908819	22800	27991	26941	26503	29438	27995	7604859	7199388	6938084	7219743	6864926	7174059
Succinate semialdehyde	142228	0	150901	245340	226272	440229	96983	107718	185085	337379	450246	760383	92388	101869	154256	301747	340431	1049997	0	65429	129376	176276	226909	796894	0	130944	588594	137149	507045	123887	87681	99781	687054	171655	691381	119691	117948	101568	577325	827812	802852	761984	143326	0	136231	154402	984869	955518	106042	1076082	359020	1249777	307443	1407383	129351	1639459	984649	0	25962	27301	26153	28790	35865	303946	222011	206925	234082	300152	257626
3-Deoxy-D-manno-octulosonate	193433	214266	440134	387110	382389	367791	426243	579224	586038	533188	595139	566154	886470	665701	392933	204376	197015	203582	1359218	1329474	1589420	1588777	245910	173030	2468267	2225482	2407902	2306922	1103887	823257	5546070	3419443	3290162	2921132	2296955	2897543	3678800	3453475	3238641	3149407	2427086	2580746	190765	209999	181816	202969	126944	152344	173755	131518	132931	127943	154479	135783	181436	130957	120483	27745	23763	26538	24806	25814	28781	1636325	1585507	1653631	1473819	1421219	1441857
(S)-Lactate	808435	892521	860196	598361	630620	723672	807263	544026	916320	926396	673630	706454	761589	859975	554876	953103	1375321	1333043	671823	866493	1005434	795919	422328	1046879	571849	728753	1020214	1003071	535902	708674	781248	470582	938661	738760	619920	746265	521487	496598	547402	794718	387151	520130	2027290	1584948	1617393	1503367	1280648	1187798	1247997	1238885	1364556	1288851	1313650	1314023	1406262	1356933	1321021	32089	28129	25934	24626	23524	28087	522487	484810	442057	573722	426403	453151
Isovalerylalanine	381076	357308	262225	493014	406750	312112	883198	656294	296431	222499	312336	391529	242954	939945	365789	236647	396879	460511	1876580	861557	846020	1188458	392398	448666	2050028	1595685	964910	1070738	1424866	1194110	2667809	2353381	1314666	1306065	1689786	2068403	1858795	1710997	1371805	2020209	1984229	2054125	309223	321887	281324	237461	320419	215859	247028	224325	315460	400769	392814	265941	393460	283302	347346	0	19479	22156	24357	24399	27359	1105706	868847	993277	1220188	1263356	1310615
L-xylo-Hexulonolactone	149394	198976	189453	161905	174492	146238	147880	183829	161437	134047	183311	122673	217048	180397	157182	118025	146283	133707	174889	152626	182241	133136	163610	140673	206115	239795	157003	157415	167903	139922	184632	184841	161398	169046	154672	167026	160855	222220	172682	177020	140480	165623	219449	180266	183775	218553	172615	155737	198298	192184	129036	197729	125925	148216	173712	168535	148349	24910	25140	26751	24046	23238	25450	162995	167068	196192	194216	170888	169121
2-Oxoglutarate	1372520	1644405	36900000	34100000	34300000	35100000	2818006	3187035	88000000	78200000	90200000	92100000	9757024	9155566	9263879	10600000	10700000	13800000	18900000	15300000	19600000	13800000	7840709	8219982	31300000	24400000	27900000	26400000	38000000	26100000	32100000	30900000	21300000	22800000	22100000	26400000	29600000	27400000	19900000	20400000	27300000	32200000	2782897	1061288	1115274	3424402	15500000	15100000	1642336	13600000	4564082	13200000	4214933	12800000	1319266	13100000	8508272	14266	0	15081	24012	24513	32887	27200000	27000000	27400000	26600000	27100000	26800000
FA (8:1)	357341	312758	366749	579354	325617	346578	253023	287216	314740	412659	447670	391061	400547	337739	354376	318445	324088	327647	332075	314545	293725	269069	350223	368892	314175	359888	337672	355109	381573	341205	897416	134788	409434	353749	177588	362737	512958	309426	193798	184389	217996	193436	525970	265897	183805	156008	255846	164674	0	0	0	182310	0	0	154564	0	0	19525	18577	18017	23768	19592	16717	222086	206430	222183	211188	278568	279044
alpha-Irone	641801	694944	700887	762159	749062	803036	902934	1081507	1007740	1025915	1054606	978251	1292081	1063747	1074064	1087319	1100717	1288845	1202561	1203598	1136585	1092626	1267883	1418786	1282800	1328424	1177804	1247151	1351417	1285004	1545256	1461241	1665793	1583550	1522624	1801342	1579729	1494287	1433547	1448870	1566384	1658031	1047685	1429475	1530474	1109698	1368800	1529197	1348318	1506913	1114986	1581253	1130758	1319912	1496348	1567075	1314870	26480	22957	26875	23740	23631	22750	1090217	1140794	1137817	1203600	1167770	1336712
[FA (11:0)] undecanoic acid	516274	696537	590881	631801	582815	514047	445370	547823	657488	555329	545350	589385	487273	566852	439214	562045	457622	521168	489207	627633	588678	454571	479725	692386	392423	595050	458987	607268	581447	520682	768427	566204	602589	731243	540518	603993	440682	305620	318943	394552	329323	380468	816755	344551	318100	223090	383828	262261	353880	279475	471717	319566	372552	321230	326432	303610	314464	28496	26265	28505	23429	27711	29415	284226	357455	346511	295938	318138	266066
cis-Acetylacrylate	483266	523467	594028	404489	464726	618297	537526	480890	477153	371929	432298	519359	574439	478372	478177	429197	459665	477265	559061	547287	552980	481036	458290	480470	663326	598432	528678	440885	615411	544440	608980	624409	533031	600323	550521	637276	565674	748734	731008	654105	565575	628564	539757	508207	509784	580184	477367	449272	471393	511204	401759	473239	445545	466610	524260	524306	519774	11497	18006	20851	22880	24714	26045	554430	477925	497310	514767	362859	378591
Pyruvate	270925	290386	2659674	3052493	2735316	3430535	269569	255042	8383920	8414114	9690814	10000000	447236	382848	4801800	3470685	2131473	3816247	733624	662643	6951848	3834620	985614	3145646	1417636	1329259	25300000	18000000	6321568	2603700	2758659	2550647	36900000	33800000	13700000	9764568	2872231	2639216	38500000	39700000	17600000	16000000	351158	289855	330072	348883	4348369	3934411	281795	3823905	455307	3473721	410836	4202710	218498	3672430	1588748	12864	12764	16471	22671	17729	17960	5915160	6369858	6350702	6107156	6320319	6627238
L-cysteine sulfinate	542870	610842	340618	278953	402470	325431	563232	765150	290584	323934	231825	248495	785635	598938	490490	0	157433	0	600921	529295	550538	451397	530397	226400	708137	598613	398481	436947	534951	532227	531643	613916	418077	325593	373865	527798	408435	525457	442700	500145	443660	404434	196194	420188	269864	248158	388757	286916	267873	355746	191832	228908	221373	314751	385002	201188	172836	22467	21239	28602	22537	23012	26637	509742	434043	393934	565362	470766	490471
D-Glucono-1,5-lactone	677297	808835	642728	549286	506734	509423	1252098	1440346	484434	421151	466182	390547	1286797	1415883	727039	367090	381076	321598	1306785	1238031	1464492	1266091	597177	419716	1519319	1675343	1491637	1747774	1799920	1607791	1969592	2018319	1829454	2012910	1430691	1781634	2092263	2433825	2002802	2069339	1743748	1817574	398244	332096	373408	371161	322507	326475	421758	313384	321998	285384	320825	322715	424970	308646	293318	20524	21891	26713	22037	22098	20214	1227145	1213108	1196745	1175002	1066515	1154099
FA hydroxy(18:0)	78963	92046	86554	94403	87523	123639	114362	141485	103502	292050	84153	761897	98507	103559	85094	101720	111916	163531	166484	102375	108143	71958	98155	109170	93246	125666	119145	83246	104095	106670	118272	122919	84166	111998	138605	184300	120526	99508	151114	121709	119929	143192	211518	89854	106692	132317	103855	105418	119013	83093	109853	96057	106519	104642	83895	98788	91250	13453	14701	15622	21973	15407	17606	155837	141640	149221	133310	165554	138502
Ascorbate	422778	329583	577226	449454	575639	648977	221964	266263	609367	657745	691905	1042207	183903	262363	637707	525274	591181	1077842	166235	199513	632098	564816	579491	883515	203898	232378	1424356	771734	935140	394269	161507	186644	1535432	1055528	980474	474167	158589	209351	1481436	1664055	1132310	958162	460932	239602	214845	571031	1047928	1063225	524267	974394	625397	834038	524791	1006286	414291	850485	961550	19300	18928	21280	21548	22723	21926	696707	599191	538241	553265	524473	614595
4-Coumarate	0	170267	269431	351691	380457	206046	285264	261573	1612097	1720567	2518809	1850336	1131445	1148906	1145660	982420	297383	338317	1888757	1151803	1269627	1244279	882748	967756	955901	586760	731569	669689	1365869	1054556	870700	798721	615665	516683	972278	969029	1029986	1113470	886013	899344	1481832	1739853	0	0	0	0	349882	223219	0	253962	0	220513	0	551327	0	322917	0	16655	15268	22824	21449	21384	21356	1023858	945879	637177	790666	723697	888337
Tetracosanoic acid	33107	118759	50980	40536	46988	41083	33747	39620	31078	100843	31109	29737	32321	42972	29876	33126	28797	145174	48111	42097	31370	24568	29673	131233	32001	64235	0	36665	34812	31050	0	53011	34729	56239	78103	57715	58688	40556	45963	48920	41438	55982	100138	36168	47484	65255	32373	41318	37961	44558	132498	34083	65089	43031	39788	53802	30960	14696	20596	22585	20445	19244	18966	80837	86516	105058	84535	77308	77245
N-Acetyl-beta-alanine	2570319	3625750	3039469	2812926	2942263	2306805	2979686	2368597	2821726	2782947	2402733	2705445	2398784	2309445	2521014	3047548	2282159	2851279	2355891	2556141	2606082	3042929	2863730	2793095	2559638	2048634	2117592	2287408	2725928	2273700	1770000	1880078	1977522	1804878	2657487	1859141	1269953	1426087	1495319	1662863	1619780	2029840	2534652	2507936	2118812	2672370	2455826	2704322	2787163	2176582	2504201	2490268	2539462	3209133	2911404	2815556	2786795	13444	18171	15673	20195	19361	16627	2415562	2525850	2773891	2650343	2255722	2488030
3-Dehydroquinate	115602	132966	114802	118581	136224	120244	143511	129457	123235	119117	121701	117056	136952	150698	103250	110208	130364	115811	139672	148712	131073	120410	153433	110974	133467	138419	122214	128014	124747	128983	137924	166168	129488	121930	104757	120973	145395	125156	174850	131157	128652	99331	148709	161096	124917	104619	121332	128076	116844	135583	110309	110207	108392	130161	125314	147677	115223	17871	20448	21283	20146	22953	22849	126110	147483	142340	120800	121690	124039
D-Gluconic acid	7878558	7961026	8713756	7911121	8074299	7675152	5565582	5657532	8217274	7568641	7497561	8349336	5993457	5756307	7708435	7633299	7645229	8172044	5056341	5512243	5058469	4528411	6680405	8119185	4981988	5273481	5298448	4724936	5871111	4910312	4260822	4308580	4081265	4187054	4438386	4505871	3369963	3400660	3458513	4057196	4197254	3689991	10000000	10500000	9232664	8423103	8659536	8458099	8761739	8332818	7953855	8489584	7204648	7859364	9079972	8839280	6877241	23400	19536	19146	19929	18609	17906	6539066	5992342	5997202	6005794	6083246	5838781
[FA amino,oxo(6:0/2:0)] 2-amino-3-oxo-hexanedioic acid	1844339	1809734	1860394	1738009	1726395	2002126	2087518	2151273	2080024	1686313	1585483	1732232	2487452	2011863	2058177	1818030	1700738	1881920	2070746	1924117	2552830	2490195	1820371	1701729	2427522	2166355	2193358	2784056	2186106	2093510	3088069	2707171	2431351	2628856	2161696	2696862	3301379	3086266	3022283	2647963	2387729	2551922	1635758	1984084	1832134	1822171	1220145	1287873	1601469	1501307	1738716	1598455	1568214	1643261	1501392	1552074	1674215	17065	18923	22652	19756	21594	20998	2493887	2197246	2319431	2383550	2071905	2201820
trans-Aconitate	259163	289205	237636	234201	245430	222115	265760	270943	223728	221688	240323	223100	278242	262500	230436	227345	221275	206672	286827	242549	230309	242375	229139	199054	287787	278721	287982	252053	232504	204928	277123	308922	253444	245275	196706	227980	259950	275298	263215	265619	225280	253907	259526	327662	250457	204048	256200	247845	230923	247366	217436	231289	206696	216441	229478	215446	197265	19313	16801	19966	19650	18035	17513	520942	547654	551981	565837	570027	547510
Zearalenone	68970	42666	78718	81270	65797	51048	43547	66775	57282	71453	33899	42407	64468	36071	19772	39501	40871	39846	34744	44085	49374	59686	26904	32464	62270	47677	54978	41965	119727	31951	80363	82499	49928	53639	74712	76303	59614	68248	84808	47861	132721	0	23416	31759	24277	24955	48879	22484	33435	21339	30204	33757	18531	25272	35174	28358	20960	17747	19342	19585	19079	18236	16165	80019	58504	55815	66024	66347	52313
chelidamate	124215	127411	103814	100824	89135	123017	130104	96243	132641	93898	102413	102969	123685	121593	116362	109041	106503	99572	125956	101000	115682	91539	92563	89927	161864	107062	75684	90492	90333	95618	137661	101898	120494	89284	81534	95337	153180	147996	97394	88179	87787	69848	103522	139351	97015	107448	81282	76071	116248	76828	105730	83002	99945	82477	102687	97862	121255	20039	15763	17021	19013	17232	17713	107026	115556	125528	129690	107451	107973
2-Oxoadipate	2198953	1828553	2590036	2938045	3258179	3423808	472683	851322	1710674	2423174	2386642	3179216	377404	628415	1732812	2350779	2852752	3256456	351190	402542	885326	1436828	2647711	3405147	268419	309841	1539313	648931	1813587	570655	280616	341746	933896	510056	1923158	745360	307274	317214	595090	839446	1725025	1564226	4081730	358311	1079094	2949979	6794846	6817670	3114739	7411728	3989806	5942277	3528222	6622092	2760327	6846274	5120059	18621	19237	23897	18920	18408	21483	1492501	1437493	1341335	1597404	1557718	1591718
Deoxyribose	1504341	1656813	1581312	1406341	1771319	1617545	1762821	1797659	1365323	1432586	1286804	1416691	1704820	2016824	1574838	1223255	1384478	1288253	1817121	1653468	1429771	1442469	1354961	1274700	1785414	1777990	1797756	1647911	1892156	1617078	1773815	1849121	1749207	1689781	1505074	1692022	1685838	1704345	1788650	1694049	1661260	1624606	1663949	1985352	1696589	1391651	1597572	1602937	1596914	1609467	1439416	1716581	1320166	1496183	1584847	1642062	1364256	18426	16550	16613	18857	17818	15676	1752500	1785764	1569474	1522274	1519506	1558749
Ile-His	4753907	4673705	4385353	4484074	4808306	4529985	5065268	4797430	4376028	4511157	4631308	4562299	4713686	4771387	4319384	4273079	4504770	4608809	4725961	4544840	4349068	4813635	4219044	4348579	4874425	4881502	4815595	4652575	5035927	4787442	4914907	5221970	5267614	5169236	4972296	5115472	5109716	5312467	5611716	5580956	5251429	5214789	4669786	4898103	5156411	4182438	4701787	4760346	4718943	5054513	4366432	4811053	4555927	4821495	4948695	5038796	4749123	17237	22400	19499	18560	20176	14406	5121304	4826818	4640953	4595505	4614551	4984015
3-Dehydro-L-gulonate	312385	355761	345408	335172	369622	352566	261552	281155	356004	316710	283608	348772	273049	288640	329138	290897	301233	319092	230437	236937	936848	451967	347665	336157	238905	300341	883728	606120	824796	720643	257430	304769	868957	531713	590117	590096	251280	292592	1190051	511542	624172	559286	325485	279647	266256	291184	351601	387760	319366	315512	321857	322550	261464	326617	338727	330770	334357	14627	17786	17621	18299	19681	17090	345506	372052	363251	371576	381003	366412
D-Galacturonate	657712	514427	416188	417525	447162	404104	863159	886295	376407	470558	384325	393373	928431	795461	655906	291456	277251	323691	1074892	1050976	1070916	987143	520855	349371	1213292	1144145	943092	1152321	838940	811000	1730162	1463262	1393184	1262180	1036556	1145764	1985167	1735070	1641941	1435749	1147344	1031753	325485	279647	266256	291184	351601	387760	308492	436526	310604	356245	409811	353619	338727	330770	334357	16113	17786	18458	18299	19681	17090	909100	954960	773893	810668	883073	838654
3-Hydroxy-2-methylpyridine-4,5-dicarboxylate	166058	202666	155849	167202	132969	113444	174919	167120	157335	153849	136158	160096	215565	174933	177864	163023	185493	168593	198347	139122	158448	163391	144726	153434	156014	192937	112542	121920	137896	151568	223484	237941	95374	158188	106108	169864	170563	177057	115078	104495	104197	121180	145232	221726	189350	174101	126723	174511	176333	116394	174627	139698	185094	90922	147818	166488	130251	14502	15239	18482	18106	17693	18465	150191	149683	137163	160632	178919	157425
Furfural diethyl acetal	1026058	1065714	1211676	1202006	1163077	1216049	681511	647960	1299872	1381946	1297733	1422293	373733	489306	1496632	1288250	1366589	1554146	326150	276084	896391	1000779	1300520	1473044	282194	344706	616351	727746	670872	770374	270081	254468	482799	565737	529767	679535	246838	275478	451288	600539	623201	495222	1039412	1026477	915328	1318063	1092242	1061265	1255290	1042197	1313654	954086	1282749	1085527	1077889	1260784	1334347	16266	16210	19933	18067	18915	15526	775835	790261	874424	841250	849955	798935
Hydroxypyruvate	628250	601671	424682	385136	418926	376452	1318108	1215564	351988	272511	285113	349761	1358305	1218947	522075	314037	336820	342886	1371079	959905	977331	916122	554206	402316	1277736	1112154	851631	859652	975210	1183269	1252619	1182879	791212	932117	1261751	1416433	1352894	1194342	722668	768332	1088180	1069145	355702	593216	503758	351030	316343	248922	384303	228825	334700	246276	305508	260824	428422	305932	289610	23579	16371	16557	17943	20594	22040	830567	827571	871807	815350	1004952	982788
D-Mannonate	4204033	4770715	4953962	4281211	4608193	4220072	4610542	4957199	4830848	3999449	4205541	3956598	4896164	5050582	4229739	3504532	4214189	4149008	4640727	4594774	4943040	3732552	3920045	3892673	4699108	5273481	5301492	4719753	4667278	4543807	5045354	5027074	5039734	5467260	4468243	5138347	4762268	5000348	5493376	5069276	4908857	5081858	5158252	4945211	4636144	4512758	4689663	4683194	4485872	5025650	4172363	4864215	4381009	4351977	4762939	4662334	3929900	19472	15579	19146	17702	18341	16318	5012147	4397531	4788510	5056879	4369975	4331447
FA hydroxy(16:0)] hexadecanoic acid	78595	119831	95895	74244	91223	81616	107582	84410	112411	122023	105754	131545	77529	128329	93689	96373	122535	187913	142420	91813	114926	99206	80146	141875	104198	147776	113879	128245	205985	147335	218311	116161	224068	165003	382981	433747	214522	228105	300646	176277	470957	383427	161299	132625	123841	126558	131441	139039	140310	117455	130809	128807	118903	109472	107533	137796	108454	15853	14975	19378	17591	19502	17316	180918	158626	156287	149528	166740	172873
gamma-Amino-gamma-cyanobutanoate	230461	180373	201321	182524	208473	216572	213493	273913	195121	202515	205966	219608	252933	234334	219550	197583	258989	251459	186871	200553	236448	237815	198035	289958	267432	191421	179988	221844	164666	181096	227595	185808	171559	218985	188835	199610	214278	209310	195441	184302	243317	222952	242230	257852	213068	225074	216426	262300	212521	228545	210423	207974	192032	269400	216614	208258	257118	11521	14742	15109	17128	18042	18376	247449	178575	224823	180359	216154	208037
2,3,4,5-Tetrahydrodipicolinate	311676	283384	370126	295661	258158	320912	321664	385723	309702	288808	316216	288185	367444	370729	330219	260905	213966	241820	353639	317695	381030	297907	294007	206881	372131	337722	427753	443207	425731	342906	423238	384735	400192	542528	333638	397679	399333	492194	452339	491915	413668	418401	261449	270999	307192	301217	275500	255227	309661	270162	240956	276823	269930	198844	286124	244796	234043	12903	18232	14220	17009	17884	18140	418067	326396	320132	374350	314597	376269
Ile-His-Lys	411748	477767	492316	382990	408672	358638	460580	464763	418987	419315	411805	357573	433913	380172	466952	340061	468003	296506	510848	374940	443172	379612	367858	356660	481361	444942	346969	426129	222534	406880	612370	500595	294506	430976	216217	482776	501924	499648	279696	296118	308702	259045	409575	591569	461461	429116	248538	246636	438932	242469	431175	232375	371558	201737	373814	283472	329886	17448	22227	22155	16965	17934	20586	444009	414678	393090	433148	437857	402508
FA methyl(16:1)	84821	38176	43691	61176	47643	61565	65989	55222	62122	97067	35784	54479	150294	114494	0	35531	39836	329117	204155	235905	295101	81761	0	147969	640313	303465	857425	905371	690667	412067	12700000	2772808	5517948	3134659	2253437	2760856	11700000	8377787	7813305	4263924	1822894	1539984	54537	49061	34892	44117	0	0	0	43059	46878	0	0	34144	0	40429	133861	12620	11086	18247	16826	11954	13987	2266209	2218134	2376885	2266123	2342583	2359170
gamma-Undecalactone	109235	105584	112170	102589	118263	126610	434869	515171	164452	157069	120874	134440	1035052	1068878	145397	122733	93573	165840	1735377	1699603	1211352	962241	91009	127303	3105299	2833609	2446954	2378585	733401	565361	6708589	6617582	5510030	4652558	1956689	2002042	7843446	8833681	7851904	6509574	2498466	1843535	204076	67869	67186	0	84736	65945	0	54371	0	51554	0	55487	74606	73890	0	14167	13694	14766	16608	13589	11396	2026451	2237883	2379385	2177833	2143730	2570593
Homoisocitrate	217014	206538	173212	197079	201487	183216	199411	222294	202323	180488	193666	196260	220992	193431	184169	205779	218962	207193	201365	161300	188099	212908	167364	184577	216643	240839	125241	197595	149793	156449	199037	219950	125651	188673	110502	192365	169860	190591	135741	170758	115894	158468	202239	235390	206914	171665	148391	122477	191270	155966	187924	155976	198447	147002	211159	160699	186211	13587	13327	15032	16450	17420	17634	216927	204860	190063	196367	174967	175985
FA (19:1)	20839	28798	0	0	0	0	0	0	39096	0	18362	40392	125250	130888	0	0	72782	100035	399952	383676	407145	193061	21836	58876	1448990	823789	1289719	1848957	896005	439498	24100000	7307414	10600000	7656780	3224448	3575676	25100000	17300000	18400000	13500000	3733414	3258525	0	31381	0	0	0	22798	0	15475	32205	0	0	0	0	0	0	0	13637	16929	16391	16000	0	4357372	4500612	4354323	4346139	4369458	4589479
Dihydroxycoprostanoicacid	897899	777122	819229	819309	250939	755289	810878	936569	721039	626824	618765	677351	816549	941026	682792	601929	664650	677870	759852	724689	818654	725463	727217	688077	831100	848398	578873	761014	582559	749488	857720	815243	554543	788618	604410	924127	814745	814890	611047	632868	710790	730837	767245	917088	810245	727666	632498	656493	809642	545739	778002	667476	790999	620016	828967	651046	552715	12596	16184	15199	16385	14438	14209	974041	753553	746399	696236	739456	732105
Ipomoeamarone	122182	102629	85115	91599	101032	103044	118761	144432	112241	135084	126148	136343	103117	118513	132791	107905	134824	154033	113620	156796	121478	166460	132983	144573	141368	169096	123613	158090	157257	138017	144556	137748	160003	166125	136017	182096	172219	194800	157431	130233	123275	135241	145667	130488	139149	106965	151757	143549	113421	142108	112791	151372	155824	128634	128329	142189	123396	12995	15033	19463	16204	17973	16880	112533	142294	169601	161596	142201	128308
FA methyl (8:1)	273586	328710	321026	420262	336513	281480	198275	290945	280994	261082	357531	279297	246508	288730	227310	244404	218241	263803	245778	365127	248434	219392	239640	373643	187111	254896	216062	332850	312276	296681	385682	142878	249719	284756	209278	250554	165419	138616	132459	158403	127607	144885	532009	180763	151862	133952	173338	135992	124717	219838	77616	127140	69302	154534	158774	145848	107864	15830	15145	14321	16133	13226	13723	119103	113617	133175	126856	125798	119578
3,6-Dideoxy-L-galactose	246242	275455	303597	371214	320464	313093	292682	309817	324286	283970	300428	296090	265604	310599	303487	321398	318137	316648	235657	237895	340511	384513	349330	312984	291540	290761	358970	444448	319831	353568	287720	327184	320616	440138	435537	485092	297900	325467	290871	479056	411394	365961	317443	307016	247295	292772	258142	272975	318799	263940	331169	222069	264762	242276	302654	256214	295218	11990	17056	14485	16037	17849	14885	299212	291691	302267	371303	390226	336739
1,6-anhydro-N-acetylmuramate	1297567	1144753	1104180	1271387	1366731	1194691	1009523	1227887	1357243	1318647	1399966	1275738	1174871	1113175	1477103	1293481	1379904	1437414	1315592	1014248	1355829	1498665	1234676	1451886	1233650	1320115	1021352	1125649	912788	1128974	1327078	1225813	929142	1119185	832642	1167494	1202716	1153506	1022519	1011750	1128362	1038408	1196489	1239412	1160598	1311571	803413	812380	1142947	927805	1340233	968389	1506989	785693	1102261	933418	1261234	13307	14316	17848	15743	13914	14228	1185830	1048320	1171879	1103162	1238440	1194395
Sarmentosin	1522246	1212294	1180791	1406669	1466590	1359043	1385410	1391983	1480687	1634147	1591142	1655430	1409197	1519944	1513954	1556434	1619619	1600173	1359035	1191855	1547894	1727440	1516420	1547292	1492074	1400364	1182024	1226342	1163650	1148400	1456734	1328168	1187778	1200500	1090144	1307189	1524022	1275107	1100043	1089931	1152972	1184784	1125902	1497123	1195816	1477282	1067753	1014635	1134805	1059034	1710243	1061608	1443767	1089309	1069404	1238278	1529305	13307	14316	17848	15743	18741	14629	1465472	1277096	1498967	1323206	1495472	1338881
6-oxo-1,4,5,6-tetrahydronicotinate	211764	234877	282121	244835	207617	223877	170643	242345	264242	260233	234819	272888	209684	217596	223210	199332	263149	232421	195914	215065	219693	260933	253214	277136	176828	220422	340628	291011	283351	273821	192366	283760	281926	338970	247603	321651	195207	228875	276719	305648	252424	299523	280440	270299	232564	289951	342115	276385	273936	220559	232209	251007	228669	214027	278495	293067	233133	11497	12229	17271	15368	17602	18120	284318	283025	232309	249954	202687	244376
4-Hydroxybenzoate	1451007	1344807	1138077	995526	1114269	1041916	1671364	1528462	805759	606362	634278	515227	1901573	1641076	1187459	683522	467574	379817	2008430	1404068	1508646	1179265	1198606	764151	2221421	1981502	863256	1584971	790630	1155520	2355491	2142618	952569	1710156	824584	1817865	2532656	2149202	991693	1095139	1060473	1236776	384973	1044551	637948	460305	353971	0	434793	346318	395343	284913	421346	0	428702	398108	309606	12068	11678	13745	14784	14841	14741	1554439	1477989	1386411	1379019	1409948	1536118
2-Oxohept-3-enedioate	1675490	1700298	1395045	1036451	1033502	957604	1789236	1836031	1106261	1198720	1226494	898400	1872682	1700135	1467991	1040605	1238532	949234	1833270	1586555	1380013	1138642	1053944	923776	2242086	1770304	1619535	1340302	1086628	820785	2037452	2097015	1677302	1335215	1167396	778528	1990986	1806368	1734811	1404648	1127513	1143102	1423822	2206987	1873322	1131718	1491000	1503989	1186938	1369064	1304025	1120280	890912	1205811	966077	1016160	930601	11551	12070	13022	14776	0	18772	1742155	1509757	1632466	1216004	992982	745660
Docosanoic acid	38645	82864	47007	51528	55614	73461	36329	88293	46945	94626	34258	61199	58529	50036	57715	46209	42614	139949	93142	38589	31209	43432	41119	71980	41449	60748	36369	45517	53740	27256	53782	53505	49161	49802	59554	59728	81245	53218	83309	87512	65754	69371	147410	67637	42855	70743	43433	62024	47710	48175	102812	42680	86529	40298	51165	42965	51067	13057	18024	18872	14750	15859	20176	120696	112209	131279	121306	88696	124017
L-gamma-glutamyl-L-valine	44300000	57500000	52200000	37600000	37400000	43000000	46400000	58500000	38300000	41500000	38000000	36800000	49400000	47700000	39200000	37600000	40100000	37500000	56600000	55900000	39800000	38800000	38900000	54800000	52800000	57700000	57300000	56500000	41600000	35100000	52900000	59500000	45200000	56400000	38400000	38400000	57400000	50100000	59300000	50400000	42600000	41300000	45400000	50100000	43700000	53500000	60700000	60700000	40200000	42000000	38700000	39500000	36700000	40100000	36500000	38200000	35800000	8988	10569	10399	14687	8728	9994	58000000	57800000	58100000	43300000	42000000	40000000
D-Tagaturonate	306565	350585	371380	409033	390788	435976	322273	332871	348558	398845	347721	285000	356196	328126	344906	300581	301326	257738	305841	311668	340014	325362	350664	319398	306670	282316	422356	365776	380113	413945	332486	416209	286694	377916	338049	377982	347058	391056	422810	376391	393871	380440	350470	306427	288462	331603	318435	347806	320896	399593	373012	381601	301189	331297	439609	422075	348404	12322	13903	13390	14568	14008	14374	391902	328910	292471	383367	286705	340998
Adrenochrome	899447	918143	934493	987692	942624	818433	775009	905270	918113	987260	1044165	831070	676817	883748	915667	831872	1018289	828666	846415	862776	684486	875707	933433	984550	790153	838222	772017	887787	798794	760925	898892	750309	720358	816397	1153801	957703	742931	975658	888305	1040693	776580	759437	830769	971290	786607	792274	1019935	883618	960589	813762	975762	822397	863973	1054974	984679	1008250	843025	11081	16191	17983	14328	14800	13357	765153	940706	1091918	891154	862523	976024
N-Formyl-L-glutamate	2575363	2843001	2861153	2606267	2575079	2517360	2596528	2775093	2922836	2799291	2517930	2506351	2592343	2635861	2520326	2295041	2544098	2475195	2547237	2677467	2731075	2445568	2433952	2470874	2811257	2877450	2699105	2877722	2763564	2670591	2939659	3253643	3044390	3088166	2600581	3120173	3003860	3138946	3384110	2874745	2623063	3071069	2893591	2657026	2513837	2488486	2624141	2685706	2675351	2699158	2474561	2536591	2288766	2538096	2985654	2518966	2499375	9732	10786	12378	14142	12357	11916	2858347	2789140	2784678	2696840	2786879	2493719
2,5-Dioxopiperazine	494385	450957	486775	447452	432791	420010	407998	418819	485540	488795	407932	492314	394272	423125	573469	456430	510990	496609	424784	376609	542868	452127	464871	438283	357391	388932	443558	457325	403225	381233	437215	469137	387675	458030	352029	364419	401242	420196	351718	385852	380678	450218	428100	520214	435257	500603	424451	427204	430206	396033	536965	372506	404611	370858	389860	402743	476362	12482	13256	15536	14126	15687	14164	408116	460964	471970	407353	450449	371921
3-Cyano-L-alanine	420139	482075	501899	417892	417677	419779	414737	457382	514459	462870	457043	442563	383310	451988	565611	430511	455369	444779	367833	365553	541712	501693	405034	480317	487598	410503	358447	409940	378001	404147	568473	523837	387675	558184	352029	522139	467475	420196	346951	423343	380678	342222	480017	346381	461864	598196	452939	319942	464229	395655	419310	381200	466018	351153	443087	402743	476362	14299	17212	15536	14126	15687	14164	467077	408747	416899	408811	444229	417086
1-Aminocyclopropane-1-carboxylate	217283	176804	159585	174397	118751	132233	247386	197363	139492	189951	149842	140840	289550	204484	126009	125007	113923	144664	233246	172727	142328	146156	130856	138803	297313	212112	108432	173599	116010	134005	295900	283343	100003	170967	102981	173980	269917	241110	114604	117360	119721	144832	171477	311484	240451	190309	94785	98516	163050	99264	171356	126056	169561	104408	168548	123079	121107	10724	12701	11155	14062	11229	12165	170386	177252	168394	155448	212803	172288
Dihydro-4,4-dimethyl-2,3-Furandione	815783	743224	792242	800382	874814	729143	537084	592592	782672	891979	915471	853759	559531	646068	933346	1156734	878592	1061219	543094	523432	738190	761502	795193	920713	662282	622390	745415	681271	687986	554113	617079	635855	803591	698121	567755	510160	624517	615674	766006	690862	699218	730408	732162	755791	628591	651306	682049	699858	590408	621239	761139	651282	661512	711756	648185	672421	738560	10522	14308	15472	13954	15985	14244	752447	724387	685727	655231	629930	661499
D-Xylose	142862	164245	228514	196362	197323	176482	162823	178065	183484	219172	177561	188312	178409	154768	144976	183024	189844	177359	225447	216293	207501	294755	192911	175621	200454	171196	146240	278864	327980	264101	194386	157871	136824	134744	83633	254508	142515	249071	249083	213464	291163	285441	159929	212187	154525	142948	146520	139187	224991	176162	184006	157808	156799	189156	157700	193935	163358	11002	16538	17014	13669	17589	17925	1674285	1737350	1905973	1756197	2073996	1773169
succinamate	319789	351242	336808	340337	367358	286290	375067	318737	334152	359580	315449	336526	377097	395723	385468	355253	299933	295553	407339	332735	368768	291964	281843	310809	364706	362793	349657	322220	338380	347004	476697	384469	312491	339279	329641	365723	415488	383258	342037	363730	304324	334811	379963	368229	331962	379572	348534	354454	326387	328468	374091	303739	302120	309942	337511	365454	348509	12364	12782	14948	13662	16771	15052	394899	339972	316157	392395	368250	366226
[FA oxo(6:0)] N-(3-oxo-hexanoyl)-homoserine lactone	772237	846928	975865	1422540	798533	1286606	635387	767663	1163528	780458	941729	1747267	475816	841070	805370	1343284	1335119	1135808	906734	777529	945587	666090	1246462	1458168	429213	724813	957122	899721	968211	1065273	770150	714923	811930	905683	1200468	1074405	603305	678274	856318	890479	1682490	849451	800962	1115151	872917	570441	1141718	765911	690616	1323032	1469313	772588	1598846	886072	574487	1103183	765987	13352	16805	16187	13296	22018	13717	644628	811050	927975	972291	1440411	966206
2-hydroxy-3-carboxy-4,5-cyclopropylhex-5-enoate	324653	331056	343828	362246	361904	317905	344159	386221	449959	357061	340036	343139	282492	336318	338344	396260	328902	431307	275941	331099	416178	377862	388346	423022	309502	351470	392913	399413	348394	323600	353912	379604	495292	417423	458820	343658	311790	344713	380593	415386	399312	419949	371106	260342	274479	303348	348854	445549	298322	345573	442729	364576	293130	373614	313936	330610	344436	10820	12981	14317	13276	15197	13028	416904	347780	342513	353635	344800	349298
2-Aminobutan-4-olide	448464	475139	445332	467560	473198	427766	396153	483648	504965	632094	458017	528154	439732	489353	481245	522332	444641	497825	414697	500369	428751	524750	468410	537435	534497	569443	592634	562988	569068	385099	520146	555258	561824	489746	524020	625793	669126	495743	613832	546092	486753	566028	532133	517838	455000	469590	515600	531455	495180	548281	533481	558934	421980	499171	443804	552179	469446	10598	12919	13285	13114	16159	14378	455118	465255	494484	559058	472626	457799
FA oxo(13:0) tridecanoic acid	0	0	0	0	0	0	83360	74716	0	0	0	0	84363	71087	0	0	0	0	86499	79968	115678	100867	0	0	109461	113524	307547	293653	194975	157991	230645	200665	527509	461953	288730	321488	249761	217903	545398	459945	453923	322591	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	11423	14435	12901	14994	10911	152684	144847	188405	126000	153516	139425
N-Acetyl-D-glucosamine 6-phosphate	5410202	5084578	4631475	5002539	5137312	5558854	5517807	5859208	4566279	4893936	5015684	5089243	5759219	5606987	4365607	5128664	5206074	4936457	6114222	4815335	4602140	5947201	4864365	4894244	6135094	5747233	4709678	4952191	5283849	4510873	5551941	5783903	4997519	4393957	5254790	4259531	6167214	5397164	4832526	5029927	5312453	4837242	4923795	6064832	5701336	4600360	5603733	4979469	4413382	4692240	5434200	5021467	5162649	5105557	4797883	5468750	4882390	13225	14049	14763	12752	14465	12443	5793440	4585006	5828162	5088639	4831901	5401919
2-Aminomuconate	956262	1328708	1643173	1381826	1130043	960779	924126	1182750	1470728	974320	1091872	992612	827090	1043387	1229337	895360	974645	976461	893685	896000	1313061	1008800	840388	897516	859399	1142226	908445	1221020	991304	1657707	794442	1084695	839206	1443260	865090	1927614	858729	1231930	855748	1136464	1002034	1295686	1183435	807867	929964	1408495	757900	903264	1184588	1057159	926835	922890	953878	731334	1665744	1043910	933808	8526	10072	9618	12599	12620	12445	1316064	1101195	1015823	1053725	1020285	1179110
AMP	724536	767377	653998	640629	749778	707458	782613	766764	562137	561850	704930	613767	1686318	1681383	632471	515948	668591	670746	2448957	2302433	3062160	2491319	659310	539212	3134449	2879076	4589988	4653458	3565067	3009359	4085740	3872755	5060408	4779091	3084740	3726345	4389936	4876582	6096264	6298642	5076249	5215196	889043	1066185	853005	557509	689088	733345	657851	735186	566448	810425	592954	836043	751193	836598	573983	14435	10803	11751	12548	10191	9602	2175720	2215382	2142606	2307764	2192806	2492014
2,3,6-Trihydroxypyridine	190800	181843	224953	216874	206405	219279	194165	171825	306722	353348	346156	318297	201897	226527	206220	191004	166268	175687	156047	220266	245668	220479	147596	119884	248819	205620	154147	172642	183157	178660	221145	244027	136742	216892	189257	217708	238342	186766	164100	184170	181879	218703	180239	218176	200497	176353	143510	135641	161141	137076	149272	167697	183183	181321	149642	108517	169641	11084	10718	10895	12496	11983	11838	242894	183748	252675	221399	189405	183298
Hydantoin-5-propionate	746554	738486	732881	696060	741443	758217	703294	784478	845130	821934	791931	909137	712282	677672	789262	858038	697744	808895	749752	659895	811618	802477	795080	889328	810211	750084	656167	731453	693843	692778	708927	849857	718929	644290	665889	696254	729348	776530	854183	707795	762047	694840	714422	779004	701645	793579	645875	781121	755358	667924	872607	751530	740463	695856	726135	711429	816595	8414	8564	10685	12188	11835	12112	861461	800110	801336	769389	817385	712903
FA hydroxy(10:0)	97327	109956	75113	87993	97049	113257	330143	298923	187285	142819	153287	145100	581921	577991	187065	112181	104263	178833	790998	801838	880823	633175	150722	147063	1090130	1141721	1242017	1240590	861464	528612	2472264	1895526	2033841	1629436	828003	1061774	2399101	2155556	2831928	1971142	871504	898307	139373	55078	71845	0	83188	48631	76828	60120	91992	69394	100593	55973	99299	65608	0	11988	10870	12982	11934	11274	12161	835100	912457	788702	789475	853089	817707
4-Methylene-L-glutamate	590191	582663	514905	580806	593847	531052	732380	709139	548443	563482	643611	518693	837169	695680	534653	526524	653940	481386	772469	607461	603743	682744	579795	514121	734172	837781	565750	573549	551002	598998	834798	773340	545010	580129	476161	682642	786718	749132	471531	560594	703595	600065	596154	842250	719224	489424	475343	499817	553907	453276	487324	504966	527531	423170	603571	564897	474196	9123	10767	13034	11897	12578	9325	779520	849137	735196	801650	802718	839080
N-Formimino-L-aspartate	905203	859814	921100	812787	851978	878517	978815	919996	900208	942052	764681	779942	1134571	894630	911789	773051	682230	729561	1195099	891945	880174	854271	763539	756088	1204078	1214713	793135	883245	823482	878678	1106374	1059510	753406	1035545	797558	1026772	1218890	978227	898410	805051	897111	745622	1042224	1252144	1071006	759123	684091	677999	787810	816670	770433	616487	735921	758046	914784	767263	659705	10442	11927	14459	11695	10254	12143	986415	987844	940869	823415	814078	960636
FA (12:1) dodecenoic acid	95461	90358	233676	244869	173236	236232	245433	258706	717016	703453	822251	966163	409038	376252	101853	90931	286487	375587	680558	371585	904640	644661	100013	106368	940444	634080	1122270	886360	1041887	741330	1599813	1122944	1206389	990136	995196	1313574	1300581	1175135	785685	861938	496930	510310	236040	167005	135660	91024	85583	86215	103692	108261	117929	92787	92964	75825	112219	111789	91540	11390	9423	10585	11391	9554	9293	650236	757102	744335	759927	720771	652825
me-iP	1554672	1493753	1408940	1374350	1337774	1468216	1459602	1494282	1427183	1160607	1294416	801727	1462124	1371489	1302625	1401870	1456282	1415475	1101864	1066454	1250265	1184121	1462486	1454347	997187	907312	1045587	718671	1246520	1330662	577099	721904	747819	689253	1238071	1293200	659122	446049	519350	648659	1298764	1189866	1559827	1778980	1375746	1245638	1430005	1493506	1473406	1434588	1097436	1324727	1444269	1036565	1500304	1496150	1353046	8765	11057	12484	11339	11155	11463	1207221	1136537	1187897	1100998	1173682	1204121
[6]-Paradol	186140	221496	186594	247707	256308	308213	188926	268562	158202	255477	140567	200705	154574	181428	208556	193389	158525	183440	194288	169832	151109	165184	207716	238067	540203	208538	216772	268230	263007	232249	266182	166259	200768	140405	273314	266340	166507	226688	204947	183288	198710	218228	98517	0	43526	0	135034	0	0	44273	0	0	0	0	0	0	0	0	9420	10480	11283	11537	0	195050	200001	197618	174621	216799	197680
Met-Cys-Ser	130053	98200	103604	130397	121842	138836	147135	132316	133417	141902	112958	139151	164697	145149	94593	94790	123162	103681	145950	147467	114732	122402	132660	134995	160224	175285	181231	142111	178942	109958	198784	175721	194801	172284	179918	130536	145130	156603	174113	194321	185519	217608	146065	169879	113219	101888	152458	150831	159973	139232	142035	145833	143187	143507	152385	153711	105564	9377	12027	11574	11270	11519	9939	116992	135434	134679	156497	179261	141769
2,4-diacetamido-2,4,6-trideoxy-beta-L-altropyranose	2498948	2697548	2717510	2486045	2629994	2481918	2465218	2379904	2432299	2571360	2421900	2327022	2557559	2530354	2605749	2295623	2134866	2594931	2769466	2178237	2489784	2685490	2604971	2379504	2513416	2679860	2762280	2674501	2476722	2379723	2665229	2599474	2332685	2522089	2059585	2246129	2626443	2802347	2368192	2585380	2219755	2872455	2598235	2639855	2702000	2691401	2654896	2494733	2571130	2589494	2655617	2419740	2471523	2694370	2595730	2530170	2486361	0	8547	7351	11081	8552	11215	2604462	2400586	2560354	2559179	2440601	2444549
N-Formyl-L-aspartate	5019953	4912768	4332577	4181871	3885300	3890414	6076261	5495962	4187818	4079211	3931626	3918438	6235533	5375869	4365603	3851380	4147179	3875650	6605053	5030791	4356972	4241525	3773712	3698281	7016085	5355017	3070252	4181267	3425179	3975542	7014963	5675222	2904298	4479997	2893247	4395600	7181497	5875109	3343676	3164357	3091025	3737293	4019783	7009846	4963182	4583795	3217409	3002947	4035318	3075465	4094278	2834427	3761881	2850469	4435457	3039962	3660644	0	0	0	10994	8785	10964	4860678	5273030	4747681	4664995	4669110	4743731
L-Dehydroascorbate	238163	256334	335235	261455	248823	321829	186522	193869	221445	283157	248609	414031	167188	180954	361002	231769	377388	379463	147645	216034	264725	293926	261561	402710	162744	191889	496246	221798	571729	218528	160829	160436	491033	228206	513399	328772	186086	182956	445688	476779	590477	466249	269842	147123	201801	441523	552217	482208	351848	467739	308221	495866	222524	621506	239045	478468	405683	9397	11939	14634	10971	11650	13741	303602	303403	293871	246226	267986	239434
3-(4-Hydroxyphenyl)pyruvate	535670	457661	2019061	2189454	2534377	2491705	1520929	1571183	19600000	18000000	19600000	20300000	4086857	4690547	11500000	10500000	1715370	2566469	4370893	4598167	8238110	5699965	5872011	11400000	2269142	2356360	3502943	3197148	7968647	4503252	3081230	2529320	2702305	2883607	3993163	5625653	4520798	4785027	4737532	4957060	5916144	7947224	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	10899	0	7981	4984563	5626185	5490124	5356065	5934453	5742090
(S)-Dihydroorotate	524327	486982	443282	416890	372303	394479	399930	266979	174364	154177	134060	136585	159610	174713	164638	188802	116583	152644	125122	132771	73019	89745	148455	140149	103059	105309	195306	88416	0	64463	155797	78430	169914	275098	0	84476	326275	328808	249412	433402	120844	112638	415673	644709	432025	422473	302979	300067	502265	275571	427456	294379	391415	283033	451923	289507	342452	11216	10044	10591	10888	9902	10791	234864	270164	280274	216127	225654	320033
Aminocarb	101301	99752	124589	139512	115741	113852	101288	150528	100276	134628	152227	173662	129437	110597	140458	103839	123302	87868	102667	124920	144629	129326	93310	121576	95107	133174	95963	137526	85761	105099	107239	133838	91751	112877	68385	140242	125266	143846	83148	73462	97434	111066	126048	136291	99395	108268	0	0	124410	159547	123844	61238	90625	0	177470	100904	215405	0	0	11593	10872	0	0	124398	108312	110205	97539	112558	122487
Fagaramide	7275802	7682591	7970585	7852285	7556564	7674596	6769322	7286507	7524395	7598067	7227863	7827668	6512430	6913923	7750952	6682034	7646139	7520644	6210638	5555251	7569181	7145315	7182370	7369173	5698049	6134595	6277855	6675143	6127798	6560912	4998528	5549471	5258389	6497937	5118067	6891962	5063728	5118050	5168381	5713736	6051948	5763181	7846330	7673254	7531510	7803979	6722266	6615274	7477371	6686693	7973599	6427705	7109539	6765931	8062379	6833735	6763959	9363	0	10734	10597	0	0	6408322	6674815	6663634	6807932	6855558	7099897
Ala-Asp	1130122	932033	1004124	969332	1037229	1102246	1250832	958809	912550	747097	794983	976746	1051903	1062235	1037304	830061	966969	873000	1208014	932005	789476	1137906	963348	1106247	1022280	1217221	1021078	926148	975451	900545	1119378	1099994	1212019	1007372	953215	885889	1172423	1398297	1202936	923914	913949	904632	958524	965555	993583	868292	901357	936197	850701	865665	973880	993763	943023	806079	883678	864993	866929	8929	9744	8753	10486	12321	10053	1090891	896581	1041804	1155616	936113	1107096
Sedoheptulose	642604	647152	744804	600443	622519	616252	738320	753564	743450	564630	612670	616304	743947	689890	653250	677324	660921	714648	780059	773202	676716	630685	673437	644690	751394	735289	723593	726988	670482	620638	832867	773779	764706	781735	697440	700769	726496	894301	713185	702380	773845	782176	623902	718800	752137	588484	685002	743870	696751	645709	586011	796437	574200	679727	839161	714792	712939	8879	9349	11842	10407	11654	9766	680120	607206	652436	703510	672089	655603
N3-(4-methoxyfumaroyl)-L-2,3-diaminopropanoate	17100000	18100000	18500000	18500000	17400000	17500000	16700000	17100000	19100000	18700000	18000000	19100000	16800000	17300000	19900000	18100000	17000000	18700000	16500000	16100000	19600000	18900000	17700000	18100000	18800000	19200000	18000000	18000000	17100000	17800000	18800000	18300000	16700000	19300000	15100000	18900000	17700000	18400000	17100000	18000000	17100000	16800000	16600000	17500000	17400000	19700000	15900000	15600000	17700000	16500000	19300000	16200000	17900000	15500000	18900000	16100000	17300000	10154	9331	10518	9670	10459	0	20500000	18200000	17700000	18200000	18400000	18400000
3'-AMP	724536	767377	653998	640629	749778	707458	1018246	956536	562137	561850	704930	613767	1096402	985418	632471	515948	668591	670746	1096753	890444	626288	669997	659310	539212	1130561	1020569	877299	814328	865785	752257	1188606	1210971	920764	877880	846840	835058	1369497	1410183	1119864	1070516	966322	866710	889043	1066185	853005	557509	689088	733345	657851	735186	566448	810425	592954	836043	751193	836598	573983	8164	10238	10019	9605	10191	0	856071	941479	804069	834632	816311	925098
isopropyl beta;-D-galactopyranoside	601485	551028	614779	662876	996154	759870	675250	609344	714194	715913	580247	696618	492405	539946	638778	690262	731236	902998	199456	431790	621943	724335	626529	729515	346524	501219	505762	805266	477905	590317	382649	496082	544820	425948	490065	504419	387250	494873	429270	538677	539824	424876	665346	589388	499998	736626	695708	572247	561121	515599	530962	607744	910384	546075	583488	604546	820055	7366	9589	9103	9515	9130	9990	302751	536322	460907	422612	384802	625115
Porphobilinogen	1712677	1489839	1702540	1599785	1648231	1633307	1591337	1506818	1732497	1914300	1940362	1779068	1695712	1598690	1654340	1653177	1634710	1914970	1769164	1487637	1820383	2160585	1786558	1957996	1628062	1615746	1495255	1456757	1671367	1523573	1645807	1820361	1871846	1616424	1605196	1679084	1630560	1597837	1695131	1693581	1471918	1820489	1400876	1685885	1518316	2069470	1541859	1344721	1490829	1511285	1863868	1461192	1637753	1527523	1532976	1520342	2006435	8048	8496	8970	9464	8386	11503	1769346	1632216	1806170	1553702	1516797	1920557
leu-FMDP	393860	402544	386673	493602	415640	486011	382616	394361	480176	479337	471648	527324	364491	369433	493441	498468	480501	497492	349407	388484	613293	408313	472794	379565	359665	434908	476764	432221	489813	419545	376496	417109	441441	451258	426386	466363	462792	456187	463644	465121	453509	534567	405453	418668	399572	433231	361606	385233	427245	376515	531660	327148	470496	293475	413334	408303	490081	0	10929	10140	9149	9369	10614	526214	415553	407172	419649	503194	468618
D-Glycerate	300936	309335	1360252	1160379	954565	1124390	162067	149485	2143249	1789431	2080363	1815429	158026	182298	354598	1726750	2149751	1911820	178803	200779	208306	172188	316757	1173033	201022	213784	212427	234413	150393	153126	282825	271892	210786	304612	136572	157700	242244	265692	251808	273876	155744	123638	2485820	2744972	2606579	2494602	1745581	1804938	2461783	1740072	2108112	1751906	2040401	1722552	2443728	1875989	1909892	8761	9197	8769	9142	7884	10565	678776	683101	656847	656725	613805	611010
Isovalerylglutamicacid	561079	482887	511538	515883	629164	469150	582239	481975	569853	485709	648156	625191	600761	568875	553897	445625	439032	423197	620308	420878	629443	688399	501629	581814	619488	649335	499253	595239	481337	659944	653996	579968	616456	553953	518584	651949	669827	706789	641457	580027	492999	561734	441858	463664	526144	490026	339700	395834	534007	466490	576447	423126	522940	524826	556080	364068	486443	7861	10037	9671	8897	8162	9150	561335	504992	545811	657168	660549	778235
beta-D-Sedoheptulopyranose	509328	560655	514466	496943	441552	476162	568620	599009	449216	398016	450401	488760	553488	500980	491049	330306	493984	437408	603071	576842	441797	560956	464631	451145	660446	627212	671053	490125	541879	445406	559905	568694	580990	551778	487361	634712	605161	561712	547178	506794	513209	635448	515956	557040	596007	454925	638010	494581	560144	545918	432627	514857	447859	498334	580470	501188	398677	9919	13477	10131	8792	13520	10998	580566	479359	493356	542924	491610	557405
FA hydroxy(18:1)]	70827	107372	136481	132616	161418	181231	93383	88021	1011607	988379	798913	1020141	80041	92757	161793	147319	211681	246607	101830	73430	171809	115476	68064	136217	140734	137329	128403	174099	85038	48710	1398052	242962	133302	144188	83807	89555	1482172	710195	175322	139507	0	0	142510	102015	90966	69901	102492	93515	72401	76567	91149	74679	69204	52910	79033	79596	66687	0	10379	0	8694	0	0	442391	390154	334354	369537	385726	311958
Daminozide	260438	359677	406069	283133	272619	304190	257988	254386	392662	292322	269343	289435	201933	283704	310093	257172	286168	332143	237498	249173	380550	321243	270338	320713	227268	251435	290465	368602	263515	310456	235006	260860	233186	358047	243454	458131	201165	329723	286724	280705	269743	309744	211422	218353	280651	374101	331288	258150	339985	268460	260241	216977	279725	238767	346204	299608	320896	11172	10026	9154	8665	8362	11502	291005	284998	285399	273513	250072	289103
[FA (6:0)] hexanal	353952	292292	473466	308992	520224	748401	1281448	320119	672406	660177	272453	325543	539296	403106	628693	627472	542107	879470	540358	565018	562722	502118	1035662	545351	240077	493116	1202646	685814	506619	741285	567902	575686	730455	590729	592226	729641	837748	74823	159222	527298	204138	318330	1037525	423288	662128	413099	348654	299175	227908	211012	183134	277275	143181	543398	382572	321147	171447	0	0	0	8609	0	0	147158	155693	142152	146004	139354	172191
5-L-Glutamylglycine	3332004	3095624	3309692	3217625	3321413	3289837	3225830	3396630	3594337	3704591	3294735	3522012	3433450	3429416	3462454	3651363	3636911	3697190	3138545	2775277	3309618	3565220	3301857	3477077	2874045	3050377	2890937	2613165	3036603	2560256	2191240	2331662	2188369	2159281	2821024	2788610	1812193	1927123	1904799	1975320	2971732	2902890	3131124	3605057	3396582	3649233	3149763	3187462	3280809	3194991	3582637	3111921	3269406	3336340	2932497	3179867	3518502	7566	7538	8753	8425	11482	8495	3515639	3188873	2996574	2890065	3026295	2930859
L-Arogenate	195866	226352	213028	190128	236347	301704	167808	161329	162259	187414	197357	207583	179765	182138	147502	156000	158179	220391	177733	150057	148162	237412	179651	190925	211123	179859	186672	164310	236303	251828	212027	238589	211489	196340	264017	235848	219894	187258	153881	206529	173615	234606	205109	191549	220918	171132	176012	207607	194734	208264	229474	183791	129232	190739	242912	200303	208417	0	0	0	8041	0	0	286828	191781	203372	232168	227145	209356
(S)-ACPA	210994	294556	334554	249875	195882	231229	357233	341165	256728	213694	241277	202930	287785	340338	286983	258417	296281	257891	324046	251444	343367	238260	214757	194414	331520	308555	159573	248967	152645	250009	366423	257597	124550	245983	122932	256407	320936	315702	150534	212022	148314	179463	238331	254664	285322	315502	144339	139858	238060	162746	202117	137126	206105	172492	204683	137507	235874	0	0	0	8021	0	0	284219	266352	231650	249950	251390	306359
2-amino-3,7-dideoxy-D-threo-hept-6-ulosonate	1420521	1624093	1512778	1538404	1640296	1466172	1629849	1654851	1542094	1320422	1492078	1534951	1636108	1673205	1468696	1200959	1281326	1379808	1630621	1463671	1577603	1417339	1263921	1421773	1856653	1973757	1470203	1468441	1399105	1493710	1826181	2005569	1490109	1832206	1227469	1748985	1916321	1617100	1616612	1646153	1577039	1510171	1579305	1753686	1395948	1312260	1397915	1216130	1454514	1331402	1374681	1158476	1432914	1164739	1442030	1229804	1274133	6979	8291	7346	7928	8362	7156	1641865	1614505	1441836	1447030	1389562	1601998
6-Acetyl-D-glucose	751470	695661	788751	763845	749847	825292	755835	690656	727575	772854	793373	755397	761925	734656	659680	758636	808786	742861	813879	746056	675038	833101	766949	937000	693875	711186	886195	681308	807905	704581	717897	776116	618137	561477	639077	803257	832941	766273	685522	668505	625223	741675	788319	821303	813671	711878	793830	763983	747224	790738	812525	810292	850374	853302	763687	828309	684550	0	8226	8584	7878	9939	8921	914342	691525	1096108	849068	888188	765860
A-Ketoglutaricacidoxime	606203	560366	516265	527487	503665	428730	420516	465104	463093	517563	534507	434387	493601	483353	504691	485955	542380	493416	514773	543636	505817	473057	600658	511169	495526	619084	503426	539564	603154	456440	476023	609999	583372	561989	551020	554347	648510	577825	564320	614185	556398	579453	453232	531462	444558	470480	481390	555979	490819	527502	553639	585441	533682	604221	544030	561269	481252	6751	8226	8571	7646	9134	8814	548370	530844	553607	509554	553310	466041
O-Oxalylhomoserine	2761484	2820882	2121206	2428015	2486790	2476880	3262743	3028241	1825561	1989354	1931310	1896304	3292946	2727034	2678092	2591367	2714050	2704579	3060772	2463500	2371146	2510894	2934338	2657229	3059474	2789660	1751217	2195433	2161818	2721127	2917760	2470804	1627726	2039976	1788077	2629346	2852882	2679745	1475556	1902032	1843305	2101182	2705323	3828795	3033904	2622686	2139109	1819759	3047353	2271870	2996848	2552150	3131823	2178029	3454594	2377155	2737995	0	10303	0	7533	0	8129	3196948	3031502	2960351	2864686	2960472	3043620
8-Hydroxy-7-methylguanine	0	0	0	0	0	0	67851	73416	0	0	0	0	70800	114180	0	0	0	0	122382	123233	94189	95531	0	0	223848	178957	147324	124436	97516	92110	235105	238698	159925	166239	128653	110719	315127	287715	186555	186533	136896	150132	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	6337	6168	8233	7811	107600	108197	92088	109447	110957	93375
alpha;-(2,6-anhydro-3-deoxy-D-arabino-heptulopyranosid)onate 7-phosphate	74174	48006	33621	0	0	0	80059	48753	18720	13753	9180	6263	103347	56213	31738	0	0	0	95858	90786	32257	10207	7411	8604	115211	65407	22147	19161	0	18978	93420	81568	41399	22376	11056	15058	106582	81818	42601	14346	9400	0	8248	14530	13105	9457	0	7852	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	117289	57395	25665	15687	12641	28680
(R,R)-Tartaric acid	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	120806	113545	117156	106099	118736	91685
(Z)-But-2-ene-1,2,3-tricarboxylate	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	230012	215139	207932	169429	217802	205719
[FA (26:0/2:0)] Hexacosanedioic acid	0	24675	0	0	0	0	0	0	0	71331	0	0	27788	35631	0	0	0	36010	84370	98937	19802	0	0	42563	169783	157384	38038	43383	84438	49968	910307	968914	304728	345840	1391541	1250452	1617498	1605656	630847	568965	2578808	2085871	27504	0	0	0	0	18284	0	0	28007	0	19486	0	0	0	0	0	0	0	0	0	0	328019	337651	337554	330815	326793	323733
[FA dimethyl(13:0)] 2,5-dimethyl-2E-tridecenoic acid	88839	48901	98456	71153	58970	89492	122491	55821	67691	66573	61582	90747	97092	74930	0	47717	31058	209351	62156	94951	87836	48471	47941	113839	144861	77072	112956	98591	129010	81204	359598	125218	204946	128137	140882	175356	366577	283197	543622	178992	105521	109858	160255	50980	76907	42457	0	37645	0	56444	0	47054	0	0	36985	44843	85801	0	0	0	0	0	0	133455	120231	89860	98605	101055	107216
[ST dimethyl(4:0/3:0)] (5Z,7E,17Z)-(1S,3R)-26,27-dimethyl-9,10-seco-5,7,10(19),17(20)-cholestatetraen-22-yne-1,3,25-triol	312602	345940	314076	378241	333050	341331	404812	397034	420848	410689	374859	422465	402515	451448	430559	449594	408404	429786	454713	464599	429916	417612	411649	377237	413567	466099	403586	470311	457541	454512	491520	509816	497412	502545	717526	696221	556878	619525	475792	515205	686957	696305	555734	420176	485600	422773	444099	431910	446317	456942	414936	446664	411758	448813	417254	463542	400954	0	0	10814	0	10610	0	449827	475333	497285	470101	487663	500712
1-(5'-Phosphoribosyl)-5-amino-4-(N-succinocarboxamide)-imidazole	0	0	238643	278905	625546	602057	0	0	320571	364561	532437	595169	0	0	248421	276096	549668	683135	0	0	329053	418191	632012	741459	0	0	412321	396774	679974	818033	0	0	318927	316038	670482	923512	0	0	343573	353943	622367	708123	0	0	0	297875	316901	268997	345388	294396	338918	702877	631800	676024	698153	756759	562775	0	0	0	0	0	0	153868	250558	260147	291195	331379	408129
1-(beta-D-Ribofuranosyl)-1,4-dihydronicotinamide	1432708	1674994	1574377	1609897	1571558	1419100	1667822	1553622	1439010	1149988	1407094	1294076	1677294	1737291	1413134	1118838	1472831	1434839	1830586	1605016	1588812	1263702	1324497	1534167	2083157	2071611	1268811	1634021	1341892	1520084	2361360	1967445	1337178	1710807	1081289	1951748	2216093	2154538	1357140	1616612	1259209	1518362	1432314	1663192	1745395	1412464	1118265	1131571	1486681	1345126	1299601	1436564	1456788	1153731	1807106	1436105	1269090	0	0	0	0	0	0	1563408	1693656	1576089	1732305	1615816	1688793
1-(p-butylphenyl)-2,2-dimethyl-4,6-diamino-1,2-dihydro-s-triazine	996009	898032	1037679	999085	1140577	1241572	843560	961310	956364	1185981	1306711	1355577	1120355	963760	1183034	1048217	1500739	1142336	980141	797603	963565	1193921	1237278	1200490	1016147	890672	983264	996985	1319186	196331	783261	877709	738367	903913	967499	653440	628813	784649	753573	868851	1194330	1274518	928736	1080964	1025297	987621	1071649	926830	988581	1084350	1461058	1351159	1334627	1221938	1052412	1128987	1170337	0	0	0	0	0	0	1075673	852300	982309	1208874	1580443	189658
1,4-Bis(2-ethylhexyl) sulfosuccinate	21734	27562	125832	32892	26854	47411	30624	22511	31138	36517	63036	29221	39746	36625	54629	24846	79125	75634	42609	41778	26365	31770	26314	30823	63529	68818	56268	3800544	109695	44524	113596	119111	68196	78255	175092	376746	134755	153746	92617	106078	265966	250319	226165	110969	100935	121164	526629	74591	85589	87832	125555	83115	89482	77213	58646	79511	100859	12372	12323	0	0	0	0	100334	72614	80428	89842	68991	93908
11-beta-hydroxyandrosterone-3-glucuronide	182670	129025	204375	200377	155749	198222	113326	154275	247178	255134	243049	253657	103979	132369	226308	252083	225651	328194	109210	110140	241200	204809	163089	308520	82999	71247	85935	107063	109635	94531	0	0	0	0	70849	91162	0	0	0	0	0	0	147817	142742	127188	228637	128256	117881	136506	128897	287333	104492	218947	142764	141852	132919	265650	0	0	0	0	0	0	146995	151043	155035	127325	153570	116954
1-4-b-D-Mannan	272558	288959	260584	211919	240228	248892	261420	276537	261950	215910	241297	219796	315326	284451	257577	238026	189344	227010	314434	242832	252422	254168	208098	222820	299760	244351	230770	215223	213464	207767	256129	243400	252881	198063	213990	202096	234241	242672	204225	181598	216162	210523	275557	318642	281555	247930	280421	264916	248879	224664	212064	236286	196838	254680	197704	245590	235825	0	0	0	0	0	0	504592	536406	517258	472415	456158	492320
15-Keto-prostaglandinE2	136230	136888	129964	150039	152710	141955	145617	145870	146172	158791	186415	209780	270634	190405	124687	113631	107050	187739	134503	157316	134708	314232	148879	761280	117290	129582	225513	149904	190222	236348	269952	209742	236263	210580	165344	265948	531682	205272	275749	277905	265055	231497	192955	789155	604227	470887	449242	597294	756787	819720	447292	808921	302704	580536	837673	859121	1204774	0	0	0	0	0	0	164509	212087	212747	202169	228410	234601
15S-hydroxy,14R-(S-cysteinyl)-5Z,8Z,10E,12E-eicosatetraenoic acid	393058	671505	408281	529981	602029	734718	595678	520262	363671	446448	476138	706931	845311	616822	442924	485721	591752	832578	406112	357357	351540	363983	621318	569925	339470	687161	326218	576061	425791	621051	426596	425881	364980	309942	409713	673899	415050	419288	362866	322610	373438	569105	992866	426899	367897	533435	644887	437728	534120	395305	662048	538995	644193	484399	619477	727389	863676	0	0	0	0	0	0	505678	550777	521036	498352	519645	593896
1H-Imidazole-4-ethanamine	3519246	3767855	3481370	3467072	3062858	2600590	3947935	3638093	3392906	3201152	3012668	2490405	4035400	3631747	3330507	2955794	3141884	2562325	4232500	3572635	3557782	3014826	2774771	2301771	3984176	3688309	2170487	3269506	1868745	3106967	4060876	4136616	1961748	3323940	1744053	3713486	4128564	3813021	1765649	2162572	1962232	2480234	2948647	4387192	3622676	3399943	1650709	1848775	3416662	1986191	2868997	1863040	2956796	1728921	3531229	1881606	2160459	0	0	0	0	0	6696	3458529	3376998	3506946	3448835	3121836	3314003
2-(sulfomethyl)thiazolidine-4-carboxylate	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	759410	821360	753811	726137	774131	792860
2',3'-Cyclic AMP	1120950	1170362	1290570	991698	1282835	1248795	1385839	1337770	1059192	967172	1113764	1012275	1337865	1339077	1016990	937436	1037836	1010680	1107076	1070985	932056	898883	1013013	948531	1225312	1166836	1261945	1041751	1245713	1178748	972191	1089812	1089215	1090742	1114699	1240824	839337	936368	1036215	1057984	1122396	1346392	1273267	1340590	1279574	1031123	1424540	1233899	1283395	1511682	999731	1271841	1067764	1384126	1376613	1380601	971197	0	0	0	0	0	0	1076563	1112897	1109574	1021527	1078440	1187392
2',3'-Cyclic CMP	514151	480424	461481	481382	474149	518738	541211	562859	442264	371191	607201	419121	474943	529225	486608	407930	445726	501293	424702	455905	543654	414376	514561	434747	505898	441624	505616	478095	597067	522362	452351	512602	452765	493706	499682	436457	450778	440373	526753	568791	543174	501261	505159	551266	490644	461535	626203	566556	561485	507849	504363	567307	389442	479956	434728	527255	524747	0	0	0	0	0	0	486374	445336	503068	488598	492808	509212
2',3'-Cyclic UMP	707929	924305	873689	895130	946320	972182	876950	1034832	876400	777047	824001	843890	1019758	921079	1044459	761055	865971	835814	867040	807535	853623	965386	834010	896457	950605	763172	809639	897112	825859	822908	724531	874150	966420	838257	816597	847454	891968	774949	1133815	808936	906560	911650	1044013	964134	949184	948411	969512	899418	951492	887933	845491	973474	870595	799325	982005	828144	868417	0	0	0	0	0	0	877808	862071	846653	972967	1034537	839054
2,7-Anhydro-alpha-N-acetylneuraminic acid	2063217	1844794	1898737	1729622	1720699	1725450	1912157	2088888	1762131	1566542	1561924	1531825	2134360	2016483	1640188	1767904	1731246	1768787	1971945	1796899	1905180	1516625	1563916	1592045	1928937	2190871	1944469	1990007	1926879	1809604	2170210	2175144	2003799	2204148	1718903	2245869	2202729	2199297	1879577	2232530	2087971	1908322	1922440	2003494	1865734	1635979	1917034	1766017	1855888	1831937	1660963	2008194	1605945	1964074	2003043	1919672	1522669	0	0	0	0	0	0	1962946	2038101	2067952	1959914	1847875	1903976
2-[3-Ethyl-5-(4-methoxyphenyl)-1H-pyrazol-4-yl]phenol	967926	963906	1010083	735625	821713	827338	753512	1175501	1104414	875417	877770	924674	750783	954263	1067808	859767	790040	734740	781828	750613	989405	1159368	858474	849053	779651	771303	644623	834303	814559	948891	771638	767199	861045	834417	609143	1075727	720796	710720	608219	823597	846956	884768	738869	783654	794445	1006105	695015	810258	1002133	768452	980362	876657	932742	1110526	939460	851998	916427	0	0	0	0	0	0	800414	869966	848768	969776	978118	947491
2-5-Furandicarboxylicacid	0	0	0	0	0	0	10873	31840	0	0	0	0	12536	0	0	0	0	0	15346	0	0	0	0	0	29604	18615	0	0	0	0	0	0	0	13920	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	83060	102788	92190	74246	71533	80979
2-C-Methyl-D-erythritol 4-phosphate_1	15500000	19500000	25900000	21000000	20100000	21500000	18200000	19700000	27700000	17200000	17400000	21300000	21200000	21300000	24200000	16200000	17600000	23100000	18400000	12200000	9263225	5524090	15200000	22300000	23400000	19600000	7269564	8612259	2587813	3222815	20100000	20400000	7945821	9941093	3940127	5416177	18900000	17700000	7490884	8294747	4916538	4928058	22500000	18600000	20000000	28200000	21600000	22600000	23200000	23400000	17600000	22000000	17300000	21000000	27500000	23600000	23400000	0	0	0	0	0	0	12500000	12100000	12400000	11700000	11600000	12100000
2-C-Methyl-D-erythritol 4-phosphate	15500000	19500000	14000000	12100000	13100000	15400000	18200000	19700000	14000000	11800000	10300000	16700000	21200000	21300000	14800000	9717202	12600000	16700000	18400000	12200000	15400000	12500000	10800000	14400000	23400000	19600000	14500000	12100000	15300000	11500000	20100000	20400000	13300000	15800000	11600000	19700000	18900000	17700000	15700000	16600000	15600000	17800000	20000000	29100000	16600000	13500000	14700000	13500000	13000000	12500000	11700000	11800000	9481037	14300000	15700000	15100000	13200000	0	0	0	0	0	0	19700000	16900000	14800000	13700000	14000000	15200000
2-Deoxy-D-ribose 5-phosphate	0	0	219611	186164	232816	255450	0	0	122035	92257	120240	98422	86307	0	0	0	0	0	220656	245934	424678	241477	0	0	394274	483090	783231	588454	211179	161444	1250102	830821	1130102	855152	283414	329801	1000882	1152499	1474835	1080937	437166	490646	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	328996	353991	336627	434972	341050	401444
2-deoxyglucose-6-phosphate	622883	687944	557402	582698	550740	504377	858215	895103	559330	445321	531927	595836	932133	898098	606367	474424	498448	491639	571702	531809	1017457	1007259	986362	558490	391833	375170	708835	786361	1355892	1811960	329862	324538	377885	328740	446837	600508	357480	354075	325680	351926	543406	495978	468232	501410	532369	501758	544751	520654	513601	502898	558039	510823	552518	542684	568791	569192	537738	0	0	0	0	0	0	575201	659287	607572	590092	671158	606546
2-Hydroxymalonate	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	242047	197193	235337	212626	230283	201345
2-Methylbutyroylcarnitine	0	0	0	0	0	0	155535	116237	0	0	0	0	122277	160858	0	0	0	0	170348	126998	119119	0	0	0	208479	182714	0	118145	114951	141359	193929	150811	89426	119111	116910	162994	233610	151766	92117	85760	119762	139460	0	0	77760	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	108662	105201	87475	105127	107795	118539
2-Methylcitrate	0	0	169344	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	181394	0	0	0	0	223714	206406	0	0	0	0	154069	0	0	199066	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1319466	1521139	1495908	1555798	1598045	1419621
2-Oxosuccinamate	2036226	2243830	2712509	1917874	2115544	2026713	2073692	2147777	2520436	1693224	1851952	1970776	2134551	2276482	2412585	1721639	1720611	2111862	2021090	1899370	2190309	1828981	1926234	1831240	2701287	2027690	2177548	2537099	1856616	2130256	2286553	2221671	2035300	2280842	1898299	2269274	2298528	2248787	2045580	2391189	1710814	1972437	2132660	2060055	2095505	2598185	1976316	1649772	2401941	1630913	1846666	1643814	1889011	1791202	2120885	1934501	1876691	6031	0	0	0	0	6029	2291868	2005107	2002533	1913068	2563002	2079714
3-(4-Hydroxyphenyl)lactate	116660	123745	125795	127698	123697	110660	168593	134474	131652	129466	160017	163463	188079	215832	143575	136207	90696	115390	177674	150316	324254	244753	127939	133121	148497	189060	224783	205204	242848	242292	148160	148252	199133	296680	272919	341576	183908	154706	196980	248394	242027	305595	86503	0	82540	136985	0	0	95881	0	95363	99430	106015	94757	115909	81491	137047	0	0	0	0	0	0	187327	195119	162908	152788	180604	182786
3,4-Dihydroxyphenylacetate	209050	133618	245694	296557	212295	335114	147490	121577	405375	367396	267206	450179	0	140798	386255	285204	299136	527599	95196	134848	469333	475304	319451	457031	140233	163331	659566	331572	677849	274593	183614	165067	624984	265793	666460	421612	152175	156274	655293	668578	717098	663420	147684	0	0	305882	456626	431471	151557	448473	332762	569560	258474	450417	130652	488950	509162	0	0	0	0	0	0	345862	316338	291104	210933	299335	278845
3',5'-Cyclic GMP	948423	968028	917920	1042231	934145	1013808	988423	987757	858546	821755	930233	892701	963477	924306	831975	731873	857222	1153872	864398	879008	816838	844340	880528	1032525	881357	1090978	993506	861778	973256	862073	869419	998132	912044	962247	869041	1036096	852037	837743	860148	971063	1085141	974716	1005868	986274	930534	982282	1028595	942268	979562	888434	919301	871819	870348	908189	956457	1079459	948105	0	0	0	0	0	0	990733	883998	956991	1007317	863447	947053
3'-Demethoxypiplartine	135954	105243	141089	158104	103227	123266	112340	113466	126280	133490	145309	159569	89646	105763	145512	120624	136796	137418	100871	94993	113077	130735	114703	144194	96948	104677	138970	119934	117970	126318	139552	113043	118270	142250	147092	150593	118359	150946	121667	131918	163181	126744	133712	106179	93662	131643	100815	101559	116608	150252	153133	105436	102290	114142	136623	119338	136131	0	0	16997	0	13118	0	162327	117782	125943	120761	114353	165709
3-Ketosucrose	379687	395596	287632	304412	282423	242970	438774	398186	290730	214597	175518	245494	612176	437094	293941	242710	165770	0	439964	502832	334832	293545	159249	135559	444653	414967	0	360330	0	333436	603380	546443	0	300311	0	299336	497517	548195	0	251102	0	185561	223997	606368	380234	277048	0	0	337310	0	228746	0	209362	0	354096	0	168172	0	0	0	0	0	0	347953	396042	372256	325242	302784	327221
3-Oxododecanoic acid	136219	124143	74391	106866	91613	111916	166768	176801	107586	129098	90138	114331	114017	132967	155545	85354	72626	77753	150238	114343	274294	260272	114006	116218	120085	148807	298435	345708	304563	248641	174688	180467	325207	225821	322344	282811	206518	150619	281717	295572	273749	241537	117356	0	63231	70647	59833	52177	80080	0	77960	0	0	0	79839	0	0	12363	0	0	0	0	15034	155669	176477	188855	160863	156149	172917
3-Oxohexobarbital	13500000	13400000	14000000	13200000	11400000	12600000	12000000	12400000	13800000	12600000	12300000	12800000	12600000	12800000	14400000	12600000	12800000	12600000	12200000	11500000	14000000	12900000	12500000	13000000	12300000	13200000	11700000	12500000	10700000	11500000	12800000	12900000	11100000	12400000	10500000	12500000	12400000	12800000	11400000	11900000	11300000	11300000	12300000	13800000	12100000	14500000	12000000	11400000	12100000	12200000	13500000	10900000	12200000	10800000	12200000	11400000	12700000	0	0	0	0	0	0	13400000	13000000	12500000	12500000	12200000	12000000
3-Phospho-D-glycerate	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	319080	316880	293084	298980	303017	316859
3'-Sialyllactose	338501	277245	313905	319493	296520	320562	331114	285839	313931	213341	303890	299758	333503	323253	326171	307679	343153	299359	306490	219845	253885	304823	273700	354225	336497	358362	321374	275520	297069	224544	373617	297238	323658	272614	284208	299960	347640	355065	280133	326767	297887	316083	334707	333719	300313	272840	299184	291627	288569	288509	248080	272198	258178	263049	243266	263336	243987	0	0	0	0	0	0	305793	330829	349560	289692	319522	253918
3-sulfopropanoate	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	40408	0	0	0	0	0	0	0	0	365067	358259	363930	363623	418851	380000
4-(Dimethylamino)azobenzene	1235168	1112418	1630367	1814586	1556971	1910787	667734	865828	1763396	2017941	1756706	2523000	507312	943048	1776056	1956345	1920016	2394518	500191	810305	2076090	1922134	1862191	2220851	531633	879923	1915108	1294778	1924505	1246121	567527	1047237	1852306	1462522	2182610	1442887	619972	1097608	2143688	2050967	2497264	2269434	1369910	498013	787930	1818024	1989807	1722420	1223644	1843213	2102818	1765092	1701902	1762121	1147198	1793289	2235693	0	0	0	0	0	0	1502657	1476144	1520419	1450772	1526873	1528492
4-Hydroxy-4-methylglutamate	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	87176	106169	93104	128848	111808	98010
4-Maleylacetoacetate	94215	106039	82080	69581	65171	71574	145930	165866	61436	62630	65135	0	163394	115179	52294	50520	55779	0	137050	102614	53266	75087	49943	0	133338	137010	0	72135	0	79564	181637	133897	0	77856	0	80739	143073	141917	0	0	0	0	84040	153120	122024	0	0	0	64981	0	60323	0	63619	0	86715	0	0	0	0	0	0	0	0	131674	110416	104573	85410	72054	80044
4-Nitrophenol-alpha-D-galactopyranoside	359914	249562	249841	324135	292550	284769	344070	311589	266958	305318	330793	374603	354778	367660	388334	302229	433660	346618	279738	284570	310442	347145	407399	298344	320661	282080	309193	301870	340732	296143	308153	300935	300889	301729	297861	333951	314438	292202	276453	290226	303880	318115	349403	346175	307592	257989	290651	276448	279991	261805	354418	281271	350158	322033	266920	254152	280162	0	0	0	0	0	0	365955	336524	322430	297544	338457	304292
4-oxo-N-acetylneuraminate	90735	94415	87409	78543	67605	71999	86091	106884	101482	102692	80256	70384	115390	109503	104545	60129	79832	64317	130988	93423	75350	88874	84335	69954	142165	121766	76277	83613	89090	77568	132390	111918	75004	80089	51751	143334	109311	123405	62603	87321	110190	129138	117747	150488	115528	71168	88732	108544	104867	72789	83635	82940	73992	78512	96180	96247	48645	0	0	0	0	0	0	112049	77402	119285	109375	114432	103848
5-(L-Alanin-3-yl)-2-hydroxy-cis,cis-muconate 6-semialdehyde	174537	319065	436177	369926	278745	303678	174458	257608	326952	215460	251419	270407	154586	221358	327444	238569	204394	241036	160937	199620	296795	252542	239135	234154	162551	245685	205263	353814	231849	352678	168479	292699	197170	378271	189849	437245	181529	238057	207487	262183	277083	250011	282248	192521	231842	346092	237653	188824	420212	259683	323595	211173	219703	213163	469011	240363	233351	0	0	0	0	0	0	326490	261376	319909	266672	245681	253329
5,10-Methylenetetrahydrofolate	251740	202114	161831	178495	114854	171605	131039	226030	132360	154897	187835	139773	186684	173642	146132	178736	162676	154678	210043	168592	145397	155059	189831	159643	236043	154869	189704	149761	199040	132203	235300	210446	183650	151403	170697	163953	219735	193190	209821	159000	173703	186575	159644	214455	203814	160327	206374	173781	152216	230895	190620	226755	261853	165210	146627	224956	168918	0	0	0	0	0	0	191575	189151	171134	216483	163223	127591
5,6-Dihydroxy-3-methyl-2-oxo-1,2-dihydroquinoline	578825	545285	709861	541187	583826	494201	403836	474554	596547	641321	756739	621729	671414	459261	725934	372569	744621	717288	501909	610056	1067571	450505	570760	704846	618415	628478	927550	438111	861370	810177	535481	642205	678442	540853	620757	683028	456134	612215	615225	702531	884786	671503	704639	505788	679099	593718	674917	729093	752627	674832	494779	598253	713926	481793	411441	598317	571682	0	0	0	0	0	0	535461	1116877	612839	498303	562939	546070
5,6-Dihydroxyindole-2-carboxylate	633695	595494	583210	600789	536154	573327	599565	611919	576149	692978	551305	615447	595365	548378	651798	550182	567819	603478	596222	546110	631848	590834	545464	584869	672612	590580	550651	531224	534266	416667	611508	625119	473939	558485	486726	501287	597886	546982	568084	537535	533280	533395	585554	681468	605411	605982	624063	576403	646912	514838	680724	500057	487405	596353	565466	459439	574348	0	0	0	0	0	0	1696957	1635490	1747754	1650131	1572257	1578789
5beta-Cyprinolsulfate	2455933	2660046	2635779	3225584	2340249	2303160	1776103	3063301	2796946	1980822	3150197	2874526	2272522	2397151	2073395	2279742	2370536	2287996	1752802	1804638	2380136	0	2555047	3079040	0	1819098	2701567	0	2202512	1683291	2148646	2815585	2130454	2881266	2123883	2367160	0	1957620	1836306	2469015	2348318	1999285	3047003	2160206	2653276	2877600	3908645	3195136	0	3129113	2793328	2511345	2983179	3515495	2418965	3959933	2494675	0	0	0	0	0	0	1726337	2491778	2437709	2798253	2345636	2709506
5'-Dehydroadenosine	942100	750480	1191678	977837	1132908	1249425	640548	619693	3012820	2748428	2613262	3389122	1059094	1101941	1399166	3399580	4580272	4664339	1318008	1147012	1158583	1067654	3337083	4057450	1863357	1762018	1913095	1316844	1992993	1868565	1937690	2233558	1402333	1920486	2466958	2623538	1994598	2090984	1764698	1919275	2155166	2382986	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2252904	2161344	1907688	2076749	1540211	1812619
5-Hydroxy-N-formylkynurenine	346681	308222	374661	274504	284327	346996	364547	358877	358100	305858	327209	309631	389214	410459	391425	297311	378908	292633	375269	345029	344787	343255	352308	270926	438000	339501	222771	256891	289973	295780	431255	374142	247248	323204	228270	372356	407856	387522	268830	260867	250444	294846	335979	432312	340525	326957	291734	246106	342096	243613	275728	238955	278055	245760	340055	212937	300331	0	0	0	0	0	0	335400	344083	371903	304746	288763	341059
5-Methylcytidine	2230531	2857835	2749389	2588482	2677819	2639536	2156605	2378298	2669207	2193420	2531450	2466025	1881666	2315368	2492046	2179800	2179253	2521274	1710202	1666672	2455750	2440254	2534915	2392685	1752661	1678846	2021353	3063027	2056712	3204685	1314107	1513085	1995105	2606767	2049462	2966940	1450150	1614063	2160437	2510007	2196152	2653909	2610334	2389277	2793338	2619038	2476344	2526858	2694315	2636469	2432877	2356833	2739282	2288061	3076869	2673233	2608901	0	0	0	0	0	0	2317846	2170590	2092532	2358908	2104219	2589062
5'-Phosphoribosyl-N-formylglycinamide	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	138774	140151	164444	182621	191778	158022
6-(alpha-D-Glucosaminyl)-1D-myo-inositol 1,2-cyclic phosphate	398389	416377	406921	297682	440662	336436	479974	413522	442486	310139	354596	273783	513592	479827	431127	334017	348572	231468	518683	431862	381437	337793	359991	295956	426025	432227	318090	292201	211847	369091	249876	256932	119639	198435	191931	310919	185752	189789	121914	114948	184144	237103	323993	487863	376902	311618	201502	207519	385124	210905	328980	190451	311611	194996	343941	196113	223497	0	0	0	0	0	0	339241	291879	336353	430855	340431	294806
6-Bromo-5E,9Z,13Z,24Z-heptacosatetraenoic acid	400282	476133	435958	483183	389934	488214	459691	492553	442251	492333	538705	493937	535423	486441	398338	540204	481143	361607	452286	457710	415881	530571	517649	398393	619799	517421	596289	484019	702631	398737	603018	649140	678309	509442	349767	408602	580423	543255	782247	728784	679625	617407	459932	395555	455737	414103	476123	573202	401417	529775	423009	462418	431810	453814	317164	410089	287384	0	0	0	0	0	0	543452	538289	478707	549865	564573	479872
6-Phospho-D-gluconate	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	98452	103207	104566	102717	90786	94649
7-Deoxypancratistatin	355097	417817	445814	495976	445194	455214	353819	416473	432769	409072	411112	428676	326689	429747	445043	427076	467726	448992	303005	315455	532885	457314	408796	396870	300807	369407	458694	426934	415515	420779	343042	359265	451133	507198	487601	480122	302028	350318	450608	399692	478458	454782	416445	320117	317435	479836	417948	426714	445465	468852	413422	436495	399613	419302	456071	442090	415554	0	0	0	0	0	0	404774	336544	379469	374645	454501	361120
9-methylthiononylhydroximoyl-cysteinylglycine	245630	270498	321804	265227	353434	210048	194879	252687	249184	247436	258453	302267	180707	212501	240922	246215	295556	279916	152144	140066	236508	229138	260911	250567	126985	217133	154524	209434	118794	318932	0	0	0	0	0	167105	0	0	57834	0	111127	101360	258716	245683	240523	220358	204649	243522	288424	264166	286383	248422	290859	303517	250519	281850	274454	0	0	0	0	0	0	165807	201640	249944	227586	259206	228116
Ala-Ala-Asn-Asp	174170	190210	146666	184286	253749	296637	140573	173233	202770	223862	212317	285842	141658	176501	198179	216538	221794	315781	154159	189921	203901	250448	230204	275586	170339	203334	339131	191135	371651	201013	148350	195204	393059	205506	352947	178121	177205	236429	403534	333369	354576	327293	233446	171236	140506	139581	355559	376077	176155	329042	235082	328157	214417	398009	179440	311445	296269	0	0	0	0	0	0	249912	255890	209127	242643	236620	230802
Ala-Ala-Asp-His	416438	322008	448696	441679	493301	474933	261596	232769	729446	535072	644198	697822	1027907	1097749	662295	525373	206896	190559	1713404	1509606	598107	450680	590895	312910	1790089	2003870	1257080	829537	1051284	878994	2185337	2204965	1993905	1256640	1022018	1059139	2024780	2170097	1848044	1636464	1172647	1267023	0	0	0	0	0	0	115838	0	0	0	102484	0	0	0	0	0	0	0	0	0	0	1049796	1000842	986878	952180	1047465	1082712
Ala-Ala-Gly	0	0	0	0	0	58925	0	0	0	0	0	0	0	0	0	0	107154	0	0	115888	0	0	47384	0	0	110570	0	0	0	68662	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	69350	0	0	0	0	0	0	0	0	127124	126084	98882	105400	99573	102016
Ala-Ala-Pro-His	529011	422543	559835	556943	478020	545575	476316	427527	581202	596579	555833	586979	358255	365404	586000	556757	546795	597804	301767	291308	547100	565963	486316	598343	259640	303017	375704	461103	443447	449540	226022	291390	292940	376670	404971	509328	199714	244527	249696	325950	390059	384610	462083	472724	460711	626738	465692	464136	471807	457239	568166	495938	537670	454580	480120	514670	603387	0	0	0	0	0	0	444182	390596	455327	425957	434829	426638
Ala-Arg-Arg-His	354850	261107	283633	304596	283977	279977	273849	233941	350820	358334	332096	382855	257622	227916	394037	344749	347306	350029	275035	213799	368425	348536	277998	350090	247782	213496	204689	238988	249371	201873	197485	226252	166832	169319	183025	184552	179599	186764	131478	132006	193708	185639	252812	318691	257294	377428	299001	208314	274023	301060	376330	276078	314447	219182	234527	236330	304358	0	0	0	0	0	0	37271	35563	38315	46240	30086	0
Ala-Asn	289573	235658	229150	204287	222330	259651	193491	254871	230867	198868	242105	234285	228123	245216	233707	217730	321040	255487	240901	202987	268734	252966	215857	328231	226402	198875	235270	199312	216041	175942	248652	242519	211475	206674	215724	230786	159615	212492	167294	192849	228588	261313	211880	271134	226368	213625	215032	274911	196575	219077	257224	193612	201643	199610	251931	307406	228902	6106	10084	7860	0	0	8146	235414	213205	199216	194714	196985	261915
Ala-Asn-Asp-Gly	355703	328108	236002	372344	401996	505334	262875	325518	292496	384519	330617	495098	279359	309390	339805	372958	418436	588311	263089	293610	367441	400368	407170	582995	285986	294729	618812	386466	696738	289073	284523	392646	680494	344632	614148	350355	337818	354745	677920	606912	665542	579884	381965	289820	295621	303084	627068	559548	398776	524972	374823	472763	373879	586604	288648	472347	503853	0	0	0	0	0	0	431481	429295	427643	399371	404438	411192
Ala-Asn-Gln-Ser	1063791	1081354	1346001	1146888	1106229	1155775	834349	819353	1454120	1203557	1371474	1257320	629814	907192	1375093	1143948	1182311	1223358	513867	558060	1051169	1087387	1160461	1172669	449206	453519	775996	846561	663723	821244	196697	229186	655981	640353	583603	687907	216967	274886	701558	704834	637146	692214	1186549	1186258	1049714	1476438	1090581	1124096	1176781	1270096	1348306	1015312	1257388	1082300	1065950	1154306	1166702	0	0	0	0	0	0	814461	915663	737409	845613	839199	892386
Ala-Asn-Gly-Ser	826165	1020201	869770	870703	978661	1249237	932324	1072374	784087	867028	765043	905294	814407	767635	1090517	728913	910590	877568	430198	410736	751099	810040	982432	818069	194472	246831	674020	590931	732152	759434	0	0	326836	376110	466418	534701	0	0	352547	366558	385716	676436	1075995	1057827	945949	688991	1023736	1078089	940700	1016019	926268	1073439	789953	1093473	978519	1028018	928127	0	0	0	0	0	0	731858	673886	688902	623287	632714	605979
Ala-Asp-Pro	209390	252010	181741	198111	208474	234927	193509	170383	231466	253956	203959	218455	211674	224556	210597	196245	186217	213480	190350	176936	253053	222892	189159	194940	288532	187918	248685	228270	183369	204247	169015	244216	159793	244419	212451	212125	202198	179339	235765	260605	190824	218590	199944	186016	198488	202835	184890	234458	180116	202915	191970	236460	177630	198829	195481	204908	227241	0	0	0	0	0	0	259610	194534	208578	218304	221402	210281
Ala-Asp-Ser	167796	168235	156302	180679	186788	181691	151207	178416	160016	227229	173461	236720	185043	173854	184707	200346	185708	221819	147025	164084	179778	216289	213151	210960	177275	150316	174785	174251	214507	159994	192861	213891	197186	177837	200346	228680	199933	184135	187149	192024	183815	196106	213172	156793	157513	176788	214350	185843	155536	178825	243770	195733	182833	179481	121735	184554	245124	0	0	0	0	0	0	210235	226752	194180	247214	224044	225978
Ala-Asp-Ser-Arg	171173	156024	180941	170897	192611	188418	174229	185438	201117	190690	205826	209021	142945	151987	229877	217660	238237	227631	150060	115664	192426	248746	193261	244831	172001	146383	170624	176899	175612	155784	136849	161460	135075	87642	177490	143546	114959	115165	124673	149010	139763	149553	189758	165718	162337	192642	174116	176626	176156	167586	262183	162514	177636	156579	195959	226430	190592	0	0	0	0	0	0	0	20273	37343	40209	47046	28097
Ala-Gln-Gln-Ser	7375938	7866378	8273180	7524515	7233034	6754778	6401426	6355697	7866167	7705358	6719086	7382912	5151197	5373919	7835795	7178377	7290281	7881180	3727372	4357692	6963458	6442083	7403723	7656045	3235066	3583084	4562200	4978802	5019061	5599984	2339179	2538039	2980747	3929292	3965221	5488149	2078125	1855029	2839251	3000806	3541017	4745612	7291372	7517135	7223452	7519713	6866528	6629279	7228654	6859922	7334868	6294819	6966116	6696688	6598537	6622532	7041691	0	0	0	0	0	0	6126519	5756288	5239052	5086423	5301978	5136566
Ala-Glu-Ala-Ile	236148	295506	271515	278281	201040	269286	236278	287210	318325	367444	355540	391470	201889	267498	324587	320350	275988	290868	299834	203496	411043	312805	350741	289053	275532	336455	515939	436667	243099	239779	285575	245054	630901	599369	340941	371024	295237	278715	627778	732215	448862	389391	242131	251822	249528	267227	288822	282188	330139	247988	261841	277409	276180	257592	258934	261489	325973	0	0	0	0	0	0	310261	304497	264177	307823	293582	299457
Ala-Glu-Asn-Ile	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	118608	0	0	0	0	0	0	0	89904	100886	117789	132447	123024	150117
Ala-Glu-Asp-Ile	318215	285078	335208	283456	304727	342611	284518	305694	307256	363575	288270	350586	315761	311068	363189	312551	303046	383054	229075	190956	328887	411348	299764	283699	262061	235326	202325	311787	296835	244534	184560	223007	175542	251656	272533	298767	118938	164885	162777	187396	282304	277013	332912	284943	271902	355000	301047	336152	314776	290908	320555	323049	300278	321187	401605	339210	368522	0	0	0	0	0	0	299988	275017	225836	307931	304734	271137
Ala-Glu-Glu-Gly	0	0	0	0	0	66034	0	0	0	0	0	66600	0	0	0	0	0	87448	0	0	0	0	45276	57766	0	0	0	0	0	0	0	0	0	0	0	60351	0	0	0	66424	0	53547	0	0	0	0	0	0	0	0	42175	41832	45895	53972	57543	45714	0	0	0	0	0	0	0	125157	111310	124100	147387	122542	113772
Ala-Glu-Glu-Met	0	0	0	0	0	0	352541	446461	0	0	0	0	571501	550557	0	0	0	0	646379	683237	640338	271774	0	0	733273	838199	794981	494386	794341	398646	584313	763392	789812	723817	781084	609989	638861	678420	745536	631452	857187	868886	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	414082	508314	412539	350020	513727	484176
Ala-Glu-Glu-Tyr	534456	651763	649321	603885	596443	584134	594102	643924	515053	576095	531837	674042	606270	522616	540022	508397	516317	545994	541035	403670	589690	626941	574652	518652	413218	436735	601147	522213	564055	614277	383618	433510	396987	525895	489859	628848	421006	376316	404755	547082	496807	546259	598863	656333	625410	533240	630417	636966	620962	811123	610940	655600	638549	612617	621681	664503	511690	0	0	0	0	0	0	596780	438740	548218	549389	497534	569036
Ala-Glu-Ile-Ser	1045099	837411	1142983	963963	828715	846594	892125	886033	1055296	926199	990448	886415	704530	653616	1078898	880827	976421	887539	523602	436139	779754	961389	1034008	894489	381242	356786	576688	526674	548770	626166	262066	314766	440466	413198	497970	583076	311426	246572	366897	372480	366592	517123	952048	1137276	954069	988358	905909	772064	959649	941646	977370	881819	982371	765101	678431	651820	813800	0	0	0	0	0	0	698879	660350	586193	656131	718597	589724
Ala-Glu-Ile-Thr	290413	208682	279282	369840	298002	354340	272430	321202	306500	344587	328632	351269	282502	276636	353918	302697	366129	310858	280328	212577	295578	303610	319553	421505	320613	284760	296145	223993	255989	225346	262063	321715	260117	284749	247737	265564	280739	264234	286985	320832	345601	268869	232682	304359	295100	362453	291625	288683	289326	278023	425236	280351	300102	289709	243996	247870	322912	0	0	0	0	0	0	297797	288603	284558	272028	266107	282941
Ala-Glu-Ile-Tyr	763766	683971	711274	784483	546107	862751	717297	575695	1079054	912756	947458	1078484	632460	658748	881156	939842	805125	1067095	640997	568950	979513	945526	856323	914034	683435	599570	580884	572315	660783	647983	471371	503234	487313	558306	504092	586551	428587	453712	450136	507446	621048	663207	644708	625326	683022	981268	598173	683273	693888	577596	1024901	727622	800122	725729	614028	762922	1079416	0	0	0	0	0	0	747154	700359	607600	648261	723857	787304
Ala-Gly-Arg	205416	214193	212867	248606	225507	245723	115238	85342	253727	232419	261625	278844	0	0	201593	244209	237747	240555	0	0	118504	190252	245682	270462	0	0	83944	71586	184770	192203	0	0	0	0	119352	102072	0	0	0	0	75367	83185	219703	251790	225456	215360	273845	212752	235891	302262	237791	239211	239703	230259	259685	243432	248357	0	0	0	0	0	0	235645	201794	190628	194945	205639	197888
Ala-Gly-Gly	208188	259589	226346	182630	160614	180545	193044	227091	163474	179602	155332	202213	213702	240038	233707	136317	204520	166404	205781	201394	144102	201969	154974	172205	216675	222955	207428	186302	165284	175369	248652	242519	279842	183136	201436	179464	303352	234925	261519	210457	164298	201894	181866	234313	176598	187139	215032	176077	171495	192316	149525	206364	150752	187397	245293	185455	166608	0	0	0	0	0	0	193990	160875	177973	192553	200325	168943
Ala-Gly-Ser	445142	517811	568139	514398	457308	553313	580714	448398	541615	470630	497321	508254	554946	549910	506443	513293	525301	514261	625030	514801	577310	496954	512405	509042	958363	789262	843762	819074	586548	593550	1705661	1552359	1821601	1577449	996980	873415	1869094	1677179	1815447	1831715	1402649	1390009	626348	539113	539845	510643	571384	543432	498434	507320	521246	509627	552598	543862	459774	480606	466610	0	0	0	0	0	0	773476	621445	720267	646389	754160	632326
Ala-Gly-Tyr	654785	491487	441658	294507	265228	228102	686948	537681	438993	294635	277274	265915	662144	575934	326416	321988	248331	271982	615534	504033	381860	350067	241164	271009	758278	508848	453937	373426	385429	236315	522220	502372	331883	344134	322080	280926	556103	375656	357305	261731	253661	280748	498113	647498	555174	426843	388163	501209	353387	329834	268417	245060	291681	303285	280375	184798	246311	0	0	0	0	0	0	179011	98688	0	107653	0	75570
Ala-Leu-Ala-Asp	410881	473092	443326	435557	428470	521734	450066	453453	470125	476037	497195	565961	505754	475477	454962	503848	546095	498049	411668	405785	406283	438564	516176	550343	356611	492790	347958	404578	504676	428129	254455	298475	276855	322997	414453	369934	209870	222015	246998	233285	364162	405299	490519	450885	525441	508391	471371	421263	436510	430414	463455	424624	451233	423623	498615	485305	455618	0	0	0	0	0	0	439762	431403	464819	373840	543210	459561
Ala-Leu-Asn-Pro	370486	499726	444374	447225	597752	440622	624835	714604	394999	363315	451337	498969	899837	844901	417772	431363	453685	468024	905964	820102	663281	587699	475532	446029	959687	1026110	799754	655371	768940	616078	919497	906493	742717	780517	755983	913414	836276	881811	767015	617346	863401	716652	466143	439005	381325	470621	432246	373265	432317	397816	454467	442169	474608	438501	391014	395106	443988	0	0	0	0	0	0	760035	643647	614924	607787	729047	785502
Ala-Leu-Asn-Ser	257331	285565	288559	262767	265525	258762	318654	265011	269869	257797	227620	252517	256318	274067	235896	243428	285301	256829	226083	229625	275645	317059	273625	278682	237267	250003	261163	235932	289171	239803	238800	282030	234624	293244	250589	265679	244883	276799	256788	300181	267149	292568	276371	257172	280562	253116	291421	251932	272796	264723	282043	254792	269658	271826	265440	295682	239066	0	0	0	0	0	0	321658	285021	250498	297664	276738	352115
Ala-Leu-Asp-Asp	1056069	1287551	999640	1066958	1165829	1258955	1384695	1167769	1040107	1205669	1207756	1093318	1127035	1389836	1242164	1205817	1196775	1231895	1273255	1052699	1213480	1250041	1257584	1175560	1287171	1141536	1298970	1129965	1121012	937573	1090081	1231124	1243564	1152332	1089692	1122622	1186401	1226390	1174708	1242170	1182377	1353014	1272514	1205988	1245757	1096007	1146845	1108564	1225029	1146937	1336341	1105871	1110824	1183107	1059384	1296257	1075142	0	0	0	0	0	0	1183565	1275025	1109783	1248978	1171571	1327277
Ala-Leu-Asp-Gly	554182	501193	467907	516564	483806	502603	486351	501111	449735	576678	513006	509622	482860	604956	429328	476623	507316	485736	517814	485870	444521	480472	585968	467863	568998	512224	466983	425243	447324	477889	493528	519389	448573	468701	433335	446537	456703	546331	481843	436822	438000	570196	584975	482071	470395	488051	489776	575027	515430	450898	589161	464448	448158	593789	532981	479284	600345	0	0	0	0	0	0	542952	575603	496527	528926	519651	557628
Ala-Leu-Asp-Tyr	513742	502692	566647	553015	525022	620841	559398	466970	588732	704805	659453	641027	561142	479545	735052	857436	671685	711842	535270	491059	691778	896516	583823	748774	554027	546732	528335	505232	486160	503486	461141	475798	421530	451201	478605	447432	357468	422237	423768	462449	468129	514087	526675	545823	505859	652141	591944	540414	516273	490104	603882	517390	607308	554185	472058	561836	819927	0	0	0	0	0	0	600840	535885	542527	558980	593421	578936
Ala-Leu-Cys-Gln	0	0	0	0	86731	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	91369	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	104438	0	0	0	0	0	0	109421	99572	99370	136578	110955	108573
Ala-Leu-Ser-Ser	444688	414150	488592	433294	426471	495245	467340	441073	500655	503972	458553	561039	411463	402270	555569	528155	503325	529676	389373	370760	550318	543809	505473	478338	380545	428167	395839	373984	460982	380783	377585	448074	411158	405587	367561	389081	415171	347345	417032	349857	440186	412476	412885	413281	415803	503433	393234	434950	452290	402853	525743	420671	492543	436432	385844	437257	514652	0	0	0	0	0	0	520705	468409	434438	456497	444235	450355
Ala-Leu-Thr-His	342408	307072	296576	408647	273687	316247	364323	298086	302954	300897	336990	314367	343596	327473	345347	324047	289497	340062	270311	293279	313715	345025	245299	419492	267202	251597	255715	224688	293414	254181	166120	289512	205376	212632	226568	326618	161757	279166	222152	180614	207751	214165	327988	364532	335442	347474	322253	310572	395701	345022	345493	310987	384894	341341	340676	380400	306356	0	0	0	0	0	0	258528	312546	374703	326224	318985	258109
Ala-Leu-Thr-Tyr	229474	616882	604775	521358	681312	667536	578695	646059	513444	683560	536582	585329	594565	558571	558327	540490	616300	572920	602322	428408	593857	507449	517213	660681	503691	429093	497020	369597	514580	501277	252490	343622	354199	287619	508428	530922	172366	256695	335612	272672	631806	525531	671374	653108	599789	584193	705993	604014	566055	518338	627706	550349	552051	648716	715296	775375	648533	0	0	0	0	0	0	615755	464943	495734	363156	505279	531303
Ala-Leu-Trp-Asn	1034437	1053819	1156950	1156175	977919	979188	435140	469557	1319491	1062044	908171	1155366	187141	217822	1170938	987971	962903	1040955	179100	195408	643371	820250	1072811	1074347	216685	156478	379618	440287	720318	678678	160155	147760	221462	203599	557144	422573	134696	0	181197	240503	350171	378981	1135502	1189732	1025997	1210124	1030246	1009151	974749	1049362	1280441	976090	1039487	957798	840195	1012737	1089252	0	0	0	0	0	0	734723	697030	670332	628761	606296	600316
Ala-Lys-Ala-Asn	338307	399812	383337	324462	355252	378052	327154	345780	440364	352384	398496	375811	155014	216896	382603	379548	404826	366567	134581	122324	252033	353473	378622	406270	155636	150053	252267	297234	383920	349135	254973	208042	226057	167647	227731	323231	256932	320692	217607	221292	383588	323439	393321	583233	384300	409248	389740	440607	356221	463327	461321	420989	459784	454058	473289	412453	381220	0	0	0	0	0	0	311728	371105	311915	383186	392806	269579
Ala-Met-Cys-His	625154	621920	545148	675247	643856	697978	510015	706980	752160	759326	819532	796268	534296	547787	785468	764846	798637	816320	562897	517852	810914	884753	724491	860008	604791	614563	621703	587261	652789	550397	500197	508901	544280	522166	515220	551825	452436	522512	527758	613652	540082	578886	522387	623968	528473	688605	659132	602353	706109	608687	848877	675688	708850	653111	639536	658085	885089	0	0	0	0	0	0	754699	818008	893929	740304	737422	729854
Ala-Met-Cys-Pro	0	0	126588	120370	190938	140007	103090	180482	196028	205665	164125	166035	220824	233520	271416	0	0	0	352296	357729	179367	210392	0	0	314758	375628	243921	167395	129634	0	353775	405141	283612	225741	165978	125437	413500	455344	304562	313796	141468	174573	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	241093	246461	181061	227641	163806	196605
Ala-Met-Phe-Ala	135088	124217	454451	425018	321226	382734	79700	106392	333548	320918	253940	284026	93550	116128	202813	310115	272279	344673	91591	87978	121139	106894	203142	288069	94176	103722	105503	122883	136656	149392	49216	88748	104652	86732	122644	140355	59649	83290	128719	92851	111420	94548	825173	677030	771516	1076926	799034	771357	1007521	870246	703365	811232	827984	737993	968112	864981	794381	0	0	0	0	0	0	195489	228542	184899	174404	189124	196806
Ala-Met-Thr-Asp	557287	557856	555347	580120	575531	499586	402526	414591	579880	534819	521806	653101	318965	361167	549273	501439	465280	540518	220041	262349	522201	556784	508785	616292	167178	208758	349054	362221	414466	320972	172356	173961	250264	251305	334953	393422	139808	125619	213646	228175	343503	362935	476406	460677	464977	563923	658513	536923	461180	560951	555355	481589	573139	534590	442894	584826	564399	0	0	0	0	0	0	447704	436613	451666	351255	446812	427642
Ala-Phe-Val-Ala	417157	401568	467494	531091	343099	450854	341244	390271	531235	490522	426069	458531	419560	430023	553752	413886	449536	431404	416809	316803	550029	386876	328388	485148	369982	366190	396295	426421	330584	370056	306858	419334	357654	417860	264711	458912	338010	337078	343977	385393	411974	373189	381360	361489	369251	597423	423617	359842	410384	391067	474358	394214	466081	319157	387096	405973	502204	0	0	0	0	0	0	425799	426964	404722	394664	481701	387136
Ala-Pro-Ser	121572	121736	84310	89149	96310	93312	90895	86913	91465	90760	81556	81901	111743	115411	86328	90101	100642	100926	102590	90640	94284	81787	73832	92887	96449	100406	99429	85353	69185	78651	93463	89354	82352	91370	88527	79269	87042	76920	68639	98123	82620	82737	86894	121898	119756	79182	85144	84202	66570	85625	99711	88948	80303	111728	80051	115839	91389	0	0	0	0	0	0	149857	95490	79249	83996	93685	100433
Ala-Ser	17600000	15700000	15800000	16700000	18900000	18900000	14500000	14600000	16100000	18000000	18400000	19700000	14000000	14400000	15300000	19100000	19200000	21800000	11600000	12500000	13200000	15900000	17100000	22300000	8412311	10300000	10800000	8617480	17200000	12700000	4147089	5015817	7195319	5369225	16300000	11100000	2984782	3429389	4894804	5869661	16000000	13200000	15500000	16800000	17100000	17100000	18600000	18500000	15400000	18700000	21700000	19800000	18700000	20900000	13900000	19700000	20900000	0	0	0	0	0	0	12600000	12200000	13200000	12600000	13200000	14300000
Ala-Ser-Ser-His	116234	114522	116006	108232	134169	132550	126408	134376	131444	134679	111723	129612	128713	109599	164474	123632	139556	150225	121369	98394	96008	115746	115140	121341	99092	112242	134321	130270	173738	91202	106565	102915	154905	126642	165280	130158	103509	108776	120395	124590	150847	134619	167016	114416	113744	140042	187864	151697	112288	130609	140877	117048	157431	146071	130561	127255	144076	0	0	0	0	0	0	125490	106775	103713	103054	144188	110531
Ala-Ser-Ser-Tyr	688153	676441	593487	768857	697754	602294	567208	584852	821196	607143	692130	491537	601740	640061	851395	679051	863028	557953	544437	471638	830428	653675	618957	515566	557086	381033	555489	549754	673369	435678	540024	579144	551712	748600	643746	586419	509225	532549	606455	726007	771491	515657	596417	726218	519121	842704	677359	717061	683954	580795	698656	559382	705254	647772	547681	577903	416399	0	0	0	0	0	0	664117	678284	600552	544041	531874	690546
Ala-Thr-Ala-His	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	178063	188070	186917	193665	196126	198624
Ala-Thr-Asp-Gln	283358	408562	322547	307811	313092	372686	381262	407637	275349	334878	299690	332687	407501	396049	243996	285469	319302	307854	363347	398725	317971	313910	324046	365128	418481	433163	328068	261767	300330	250561	395877	371822	268529	321856	331794	280997	322383	335900	281638	322101	308353	283317	275119	413322	362904	342463	358550	355912	323687	345822	306843	391050	332421	371897	352075	342101	250261	0	0	0	0	0	0	313141	234417	348105	357567	331914	304720
Ala-Thr-Gln-Tyr	409154	361416	437534	454766	397658	458282	423813	468086	398297	494554	453842	424279	436875	545809	394538	445234	420846	410519	401748	451891	481741	474125	480925	500076	437935	484693	475636	505150	473312	449372	431867	490987	558868	478417	450882	492782	530573	600486	590547	566761	519924	425635	529064	498426	488152	396187	441491	452698	418797	450242	571532	537072	413064	587054	419450	460270	542463	0	0	0	0	0	0	432555	489635	437711	614036	427757	528337
Ala-Thr-Thr-Ala	1801639	1706174	1891787	1894205	1834900	1924899	1680974	1745592	2037425	2095268	2119801	2350028	1589368	1646777	2033928	2006611	1930392	2320154	1595612	1699546	2186822	2187298	2013457	2328801	1649364	1821662	1772657	1710830	1899052	1568312	1470819	1563708	1536777	1733083	1704088	1801870	1572046	1691269	1653358	1736167	1811802	1736069	1620989	1700760	1482987	2103859	1771880	1889805	1577017	1775104	2120532	1642247	1914435	1741829	1633860	1567771	2096106	0	0	0	0	0	0	2055802	1998204	1893851	2131836	1923851	1861427
Ala-Trp-Asp-Arg	38133	53409	61872	110074	89001	90311	45334	57802	72028	76888	113517	109582	32980	54386	59049	93620	93276	106374	35981	42116	67948	86070	103633	112822	30799	44190	82186	79343	104485	83726	33909	34301	69021	66256	98642	81717	32309	56444	63725	111664	114204	100562	49009	48312	48056	59921	71418	61208	88714	88912	78168	93277	104137	101388	100694	90246	98175	0	0	0	0	0	0	27347	53641	75850	81002	110092	88020
Ala-Trp-Gly-Arg	391801	318281	326690	438022	348481	495479	360147	264566	479670	449410	389465	458899	347594	440327	527023	508015	389540	490404	330612	279922	429955	541015	403443	558370	313897	293768	257642	279413	306518	272441	280905	289185	246719	253330	255591	274076	298339	315330	318363	321407	222247	311385	316813	302220	295640	471768	249406	323370	283259	322246	532372	274976	533102	283921	325176	353043	445159	0	0	0	0	0	0	333645	420856	299797	349872	344781	334874
Ala-Val-Gly-Ser	125996	142097	141771	151373	185862	173101	146523	135268	182684	185810	183765	196789	130214	131733	156635	186497	197276	193108	137555	105895	166012	225296	169743	209315	120365	155784	145411	136387	159587	124390	168908	147320	138299	150795	183873	122325	141693	129980	133855	152735	122220	141865	126011	136998	146226	165598	178052	121342	116466	124880	205735	127321	173381	137958	131139	164530	214344	0	0	0	0	0	0	162908	183646	185290	172706	193661	172774
Ala-Val-Pro-Ser	1111160	870623	999261	997237	952163	1023260	998214	949221	1279339	1264486	1153522	1223563	948104	959639	1163765	1195938	1107675	1379628	928215	786536	1280283	1259117	1140877	1284732	984165	896215	966888	909961	925753	798408	861894	941553	879686	841555	818908	847536	851804	846575	914249	841019	893204	823972	870713	1015965	860896	1163362	954400	914283	912250	921010	1276777	911146	1114983	998849	837026	896025	1248134	0	0	0	0	0	0	943458	933090	999428	992041	1027223	978475
Ala-Val-Tyr-Arg	319004	336374	450320	344510	284283	365281	313457	266261	469262	445315	419931	453395	249164	338714	458530	356919	470378	490681	191638	197627	448918	425755	339196	415428	232746	197353	194216	218023	294633	287280	143478	170562	230024	175597	156486	189588	109195	127046	75397	138135	161572	152692	243781	237952	260844	467189	307040	213964	274363	312990	457809	279360	402888	262024	289101	284224	399047	0	0	0	0	0	0	276911	329451	290411	291437	348593	321765
alpha,alpha'-Trehalose 6-phosphate	84137	111378	86761	121052	118160	117404	91768	98072	103254	109576	119022	125674	121542	122147	109454	109886	96924	104395	115670	82944	604191	480459	112645	147071	147781	121647	1091454	1072184	1159689	1091120	159484	193216	1383904	1267798	713113	1060707	239900	119509	1524554	1457438	1467978	1144076	102150	111579	113877	89257	114423	110161	93927	103820	99204	116281	100437	121823	106190	111383	110110	0	0	0	0	0	0	383982	366815	340542	387573	375762	385506
Arg-Gln-Gln-Tyr	346306	275429	311273	259944	320184	291198	389745	377603	348455	391857	293142	313744	355240	399074	379172	344971	332729	338132	414131	357527	318239	330161	319412	385145	446719	535637	390408	381619	317961	315805	423423	415445	367652	498247	348597	398805	513249	429273	508784	423602	402560	356417	317107	340794	330927	389313	387240	337126	294236	356285	303082	263209	248900	416360	248984	195250	269793	0	0	0	0	0	0	372145	346655	361638	410408	385279	355726
Arg-Glu-Glu-Phe	492169	454847	536560	554971	572055	461607	418224	379766	474032	650111	506008	557268	361744	367122	582098	615673	407153	576016	286730	254994	411529	504754	514216	529117	296510	287524	225282	204700	354152	312534	0	0	0	0	0	160993	0	0	0	0	0	0	461367	488790	387025	552177	535137	447827	486845	482533	578251	633470	587907	533023	509414	520524	591503	0	0	0	0	0	0	394133	414414	374135	370515	338181	355092
Arg-Glu-Glu-Thr	584224	559065	668317	589307	641939	654472	640983	614297	566528	605399	499919	570301	544590	591688	526624	565499	532733	620732	633134	495264	541531	648820	577546	551487	583829	537454	523496	436180	677537	564794	483198	521431	517349	424110	590605	522761	475998	474443	354402	468554	504740	525468	537125	603268	623490	608023	646230	645031	562317	588929	537329	581681	712377	771475	569877	622070	654963	0	0	0	0	0	0	655705	596468	561725	572741	574095	582642
Arg-Glu-Ile-Ser	573122	589025	483866	528406	548486	530481	462300	455311	605315	602455	529324	700069	468436	478848	555989	652189	600290	647703	423216	411443	500261	679128	605216	701058	481117	429430	401630	379246	471645	389426	371810	393113	404123	335194	430284	355425	345414	406651	423894	272575	471953	459389	504485	548726	457427	639387	490298	477064	512626	510103	659925	499208	554620	529769	498738	478927	739753	0	0	0	0	0	0	493884	507917	470311	527721	469023	535590
Arg-Leu-Lys-Asp	260365	291671	291110	326058	283289	319038	133462	146921	280981	306880	268100	319718	69130	74687	259218	280034	318459	343010	70496	59981	158263	213524	304128	309232	0	68544	195735	199141	300016	256055	0	0	65094	68181	169155	187688	0	0	60089	64182	154212	189184	303541	325919	269637	261486	340617	298552	316655	317806	279130	341921	325183	322641	357639	314838	291316	0	0	0	0	0	0	232752	282714	233728	233921	401699	208475
Arg-Leu-Ser-Tyr	412593	423513	357487	438570	393928	438001	364682	434470	334660	360385	351363	419808	316648	361002	346117	351428	348049	525659	319588	336543	371772	401895	374789	479325	362085	319635	355273	390693	460304	383772	358406	477798	308699	323027	356591	347717	343383	305186	350147	379833	400164	325166	450477	442486	365867	437048	434458	431467	407155	445917	485382	458521	310688	422382	389125	626631	478990	0	0	0	0	0	0	362874	428543	308111	384731	366296	394942
Arg-Met-Phe-Trp	941769	930143	960192	1082987	1229401	1245497	995551	1018584	986234	1131794	1157369	1257690	934516	1036812	894691	1199378	1205250	1326795	972827	864303	964651	1141444	1105408	1246421	869054	1258543	1243870	1030486	1204327	984640	1031846	1009177	1012263	1005487	1116451	1110446	1087399	1026295	1067860	1238043	1235316	1262028	945840	1083257	918151	888484	1095828	1158589	962313	1122634	1180192	1143439	1075730	1207192	1067270	1239180	1156580	0	0	0	0	0	0	1361934	1313596	1280530	1338686	1492866	1442896
Arg-Phe-Phe-Cys	287560	398656	339731	521548	625788	650111	279468	368471	358343	461429	668971	770843	242209	320563	350460	395533	547258	683826	273482	213844	297638	459414	563973	705621	276671	346520	513962	360799	523374	241571	296507	279756	326635	253044	436846	453424	221162	322968	259809	365637	522369	612735	390452	340120	252688	292591	510135	403072	435087	456685	502388	559048	512861	588899	565860	727399	620935	0	0	0	0	0	0	1460372	1591139	1410164	1400380	1451990	1407726
Arg-Pro-His-His	401791	364393	361813	433156	441739	407724	123933	140539	432080	483260	420853	507153	0	0	412525	457487	411606	496163	0	0	166430	257459	422509	550764	0	0	94378	74256	216449	245721	0	0	0	0	110337	99058	0	0	0	0	81433	68321	379931	398240	375174	470325	414425	433225	396189	402184	463906	378073	473109	411239	345633	466236	454274	0	0	0	0	0	0	213325	232210	252946	202338	233335	231370
Arg-Thr-Asp-Tyr	393891	240991	468232	459845	398626	457873	279470	219334	630606	587690	461036	619470	267134	244655	601018	597586	527579	637441	232871	203391	558188	583514	589170	646030	256980	249901	327316	295066	303410	247666	236273	214362	175698	216814	194547	218811	225304	218693	201959	227301	248571	285910	268280	294746	256472	610330	271998	227291	290432	300919	595878	252636	533242	253903	257423	240305	620016	0	0	0	0	0	0	385138	373936	382716	426506	362359	363046
Arg-Thr-Gln-Tyr	44398	53238	47445	23512	41033	33730	24764	47791	54667	52021	50050	57822	25260	35855	63602	22225	50749	58420	26873	31756	75176	73312	26889	30631	23647	31408	116658	78323	70191	38464	33124	28103	101195	59139	49133	45757	21517	23669	120769	118690	65331	55895	51550	27350	39657	68926	93285	68665	55871	78419	60374	74781	49797	84588	46020	57960	65842	0	0	0	0	0	0	64584	84732	86155	112463	91703	80327
Arg-Thr-Trp-Gln	449642	513924	410035	393518	472062	578355	478758	518335	374893	550044	441686	471363	452398	476296	506621	486791	562295	558781	585954	388946	503123	511041	517380	450992	482683	451726	394839	458365	594506	418803	506152	546570	455018	438032	475262	417463	506701	589724	485151	503027	489684	504712	383418	540490	404802	446978	428089	476917	488559	457986	547461	537350	478730	525311	432765	414998	570474	0	0	0	0	0	0	551009	590877	458842	454244	568518	499149
Arg-Val-Asp-Pro	19592	22051	19497	22502	21291	18421	15943	20703	19576	20811	21850	21785	16488	20153	23618	18915	19231	21182	18327	13867	19129	15541	21185	17138	16364	16960	13139	13963	14804	14403	13939	11801	8833	11681	13699	10165	11159	10579	0	7591	9329	13038	18411	19476	18494	21600	17882	16376	19336	19251	20743	17527	21132	20903	18793	19658	19359	0	0	0	0	0	0	106583	117119	135613	130962	128676	105711
Arg-Val-Tyr-Arg	295245	233458	196978	212868	242987	182960	246346	237465	210985	250154	210134	252576	257754	251621	173047	207486	247222	226741	246728	220984	286173	310286	227325	231097	276640	234335	212188	219078	214605	216914	212523	245838	236312	224454	215348	249809	220632	208665	197499	237006	207471	188718	215607	278643	237031	280985	227221	205155	213743	214731	243432	251500	250615	213719	239172	223054	238236	0	0	0	0	0	0	215737	216671	195970	181207	211871	227682
Asn-Asn-Ser-Tyr	342221	346073	367814	392741	362313	406030	375848	290654	420880	347160	322075	310049	277296	312861	334033	375882	342379	405695	368221	341091	389709	397995	349941	371436	288076	361095	377480	374094	314683	383466	383606	337402	337857	376137	341432	481713	425915	355058	437811	398492	405773	414582	326075	321455	284021	368293	361953	323326	362314	324999	382356	339576	253306	375557	414510	432709	313608	0	0	0	0	0	0	390030	341844	361604	347728	338366	408515
Asn-Glu-Asp-Ile	701875	863966	780674	844910	755166	942067	855797	934515	889290	878779	867322	895017	967602	862927	818803	863755	864358	926467	859530	817116	790322	820624	827298	890286	920295	950392	933664	756062	989395	792151	819057	1133024	1074119	859503	991983	1001371	849100	861008	858232	1054251	1127150	1112412	769315	833341	787493	804873	716743	721589	863989	791815	843616	873695	783179	928819	699174	982496	834951	0	0	0	0	0	0	885567	831719	873370	831952	944028	1082191
Asn-Glu-Ile-Ser	219826	268840	311853	318637	334633	247570	225983	193618	364924	311065	283079	275149	192344	249149	315830	266426	276963	306727	244514	207398	292750	311075	300406	282176	202526	255708	312687	267904	293081	286860	220335	233358	253684	331137	266080	364074	181267	243937	279694	299857	262973	274756	266992	242680	269544	299497	251577	290088	369441	308982	292187	290038	284914	295297	251526	238584	324241	0	0	0	0	0	0	222757	303647	249380	233342	318251	259080
Asn-Glu-Ile-Trp	1490101	1505500	1376149	1534605	1440752	1387274	1216798	1273248	1270274	1294711	1344084	1418601	853733	866861	1343766	1446525	1521194	1491465	607694	523195	1009918	1335168	1523217	1320874	424645	388560	699720	945717	1036076	1239122	328854	411168	560648	789286	923869	1003106	274406	337389	478353	725452	734099	839211	1632163	1554861	1407371	1324426	1536942	1491088	1304669	1548443	1458930	1503866	1255640	1555376	1450831	1521279	1292979	0	0	0	0	0	0	1117476	1209115	1124033	1142502	967698	1200476
Asn-Gly-Ser-His	191785	163078	229624	283824	258588	234915	107391	0	221695	271129	234126	241952	103328	103046	203073	240541	303783	315454	101970	142816	148835	141646	235947	295990	0	122101	227923	152464	258817	208739	182800	130840	278723	179378	259389	207191	165349	138082	189773	300540	385178	267436	251799	195179	236612	285165	222161	283765	218477	227486	236970	270545	270673	271532	212990	245235	286081	0	0	0	0	0	0	223502	229557	216208	173699	173207	198973
Asn-Ile-Gln-Ile	8066761	8076099	7434959	7842987	9687617	8576725	9030525	9199023	7095244	7365209	7495100	8071100	9992157	8472554	6915697	7261913	7320486	7688507	8983627	8400432	7105587	7799764	7666673	7808707	9014125	8679984	9111714	7541897	9526512	8156487	5634531	6743819	7178391	6399463	7772272	8163694	5074578	5092382	6152038	5730215	8280854	8547530	8564348	8445810	8941566	7201314	9611772	9113144	7924489	9913529	8262188	9640681	7248697	9254658	7219725	9732557	8146279	0	0	0	0	0	0	7330725	7339645	7422068	7807665	7051619	8226139
Asn-Leu-Trp-Ser	523911	691274	556207	519583	541904	515683	518611	693005	480626	512157	595302	497811	565450	491328	497471	396993	599368	507084	485296	505424	429624	527387	621623	421105	605186	557229	655240	460737	562183	521996	568935	575075	580215	530562	528422	496224	534308	573192	490395	512411	521003	601102	622378	725693	536437	585571	543478	635659	523881	599220	497283	464908	492428	542670	456730	496787	443824	0	0	0	0	0	0	566483	548720	471736	462227	567463	486970
Asn-Lys-Asn-Pro	21424	16967	17075	16134	14042	12735	17569	22553	18165	17752	17499	15018	24021	21781	24395	14898	15397	15072	23588	19726	19434	19746	18203	12636	17216	20071	16051	15817	16939	13914	16539	17500	10750	14659	14274	14290	13911	15942	14515	12276	14957	11218	21692	20002	20530	17029	16156	20513	20815	16647	20538	12538	15560	16098	14090	13316	12603	0	0	0	0	0	0	71114	78799	103683	98399	88960	78604
Asn-Lys-Gly-Ser	563337	557851	557232	543117	555864	642285	543185	551320	660934	615891	688690	671459	599619	499294	654684	593903	638652	732547	502169	473633	644609	624512	635628	637313	489478	545689	487738	499606	550839	476190	430114	403105	411826	444910	434480	465264	280917	371843	416937	358327	450348	488705	580735	604279	543894	583174	595904	616357	563503	562599	674801	595500	631082	614836	566674	622081	589194	0	0	0	0	0	0	546980	505863	593865	500096	576025	526990
Asn-Met-Trp-His	271027	248212	240887	217431	224620	189472	286580	260723	242786	253506	222493	192358	293406	278898	237194	215557	242594	217981	280910	235344	223711	239120	226724	214256	290358	256336	199904	219144	203882	194460	262623	285885	166677	233794	169092	209808	279440	273027	196678	208649	191565	196016	239881	309871	242349	246677	187278	181616	220513	189602	253312	171690	201345	176682	221704	195985	180066	0	0	0	0	0	0	418670	435557	449754	440887	425587	393605
Asn-Thr-Gln-Pro	1075670	1028377	1105798	1042376	931901	1087930	1056197	1076258	887514	989272	1091952	993424	953207	1268302	995898	1040836	1039063	1091452	994867	982483	862264	1035753	1171625	1104683	922269	908517	829637	794450	1064683	908166	534700	546508	757527	606111	1027902	981515	448558	441997	565541	650227	963529	933969	1097846	1114309	1172382	999282	1086135	1142693	913923	1157935	1114170	1160769	989780	1103284	946587	1061729	988482	0	0	0	0	0	0	971291	893154	884673	813942	929310	931591
Asn-Trp-Val-His	400154	331935	356913	359814	402368	385455	516305	504021	341059	325089	447279	386543	675147	496457	271831	360076	326155	437026	774269	650355	396109	445734	328905	456065	628520	692622	518402	413303	490720	333356	633972	666312	653703	449871	476805	424917	758604	779793	603277	606202	615498	465924	460515	407839	390402	346932	471051	428591	425900	531171	305581	425025	497110	463354	392630	435438	453940	0	0	0	0	0	0	497947	418113	475093	490317	485098	468684
Asn-Trp-Val-Pro	530485	483942	481209	498765	429686	461211	405610	533603	473334	461075	360829	389050	462898	486598	443751	389325	421430	447714	515536	341597	415135	449516	397965	405503	318407	384581	452452	374333	507074	391631	207447	282133	308526	252960	441629	496169	163539	215062	256880	329509	480128	484076	508659	639983	459782	461699	587795	475596	488943	407160	443464	507623	559050	437940	592075	513794	432929	0	0	0	0	0	0	370006	415657	463297	427643	537852	469188
Asp-Asp-Asp-Pro	65104	75927	124643	81283	89030	107632	67051	89171	190316	161144	152042	166919	116736	111691	104381	63405	76198	74262	161730	145640	203684	100040	73662	72642	245641	213618	294773	283868	108104	90692	425115	353841	391153	477145	205414	259995	457741	374813	419773	433325	189815	229180	76705	103130	86197	99622	42270	48159	87739	52345	63898	59404	61002	49638	88111	51831	73184	0	0	0	0	0	0	177932	195993	218807	174110	198037	180865
Asp-Asp-His-His	366137	276206	398427	365816	387252	400893	357581	380954	464270	486579	377048	438168	291218	307448	426196	409164	404483	455604	272784	246931	409891	407606	393153	454788	239135	289528	251226	295444	331259	256543	145872	203474	108110	151051	230845	294594	179939	214078	129830	146457	166034	172897	313188	322189	326369	392525	452829	352215	356708	344883	521128	377562	439075	381533	394825	397937	496015	0	0	0	0	0	0	367425	328103	354961	306079	318653	314800
Asp-Cys-Cys-Ser	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	180378	121246	0	0	115351	0	133180	91702	0	0	0	125424	147129	161016	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	147237	160072	179214	159932	176899	171797
Asp-Glu-Gly-Ile	228978	306657	300983	247628	316877	345960	286345	267048	239829	291645	266239	324277	309842	312976	282419	313578	271110	265711	313841	321204	286606	272477	307513	314949	256392	296380	271601	283808	291415	345272	387051	334436	323548	334618	279243	428981	356376	380467	342981	234795	341191	313171	320993	291169	265160	317448	335466	299879	340688	294799	322627	359108	332092	309637	324527	342896	326539	0	0	0	0	0	0	282774	300551	400326	316925	363287	315125
Asp-Glu-Ile-Leu	454955	390699	399229	490855	385679	505330	434544	419702	479670	424875	467978	538563	399666	459897	527023	471309	429990	527503	428389	375684	481357	550416	521551	584183	414901	374774	433191	366011	366488	328006	536038	456867	506809	515116	453524	435801	511435	563831	502594	513364	577432	523642	391178	398377	360301	460262	426878	409920	416772	460689	593445	410231	492944	407320	474664	499561	558204	0	0	0	0	0	0	422366	482195	502748	418182	457921	549653
Asp-Glu-Ile-Phe	681207	626218	567753	633954	645579	732263	676265	651442	695618	723423	670302	734501	773806	853307	636871	711603	606832	708183	744648	697286	701739	765135	703549	713012	740766	815620	733944	708277	684964	625879	870615	738947	648054	661717	680300	645306	860406	810289	714251	746594	705222	745603	622224	725840	662773	602227	692411	599617	583759	653778	707837	658224	642857	666648	607591	684201	823525	0	0	0	0	0	0	763775	699818	663396	663048	715533	741766
Asp-Glu-Ile-Ser	1005680	827786	945427	987026	998560	1150070	867315	797915	1235927	1288545	1183622	1461918	640723	702723	1343777	1285794	1196894	1638655	768499	603307	1397106	1481880	1288449	1462945	696112	806858	866670	864588	902217	760513	814268	892153	753649	773245	729170	940183	665376	763123	807002	849229	874640	853089	765636	780729	778821	1363134	735033	729599	775288	738750	1538709	856167	1227034	848703	844490	821902	1539975	0	0	0	0	0	0	1103227	1010223	1184785	1031035	1009171	1231352
Asp-Glu-Ile-Thr	1991113	2023662	2182288	1812354	1634459	1742618	1715427	1890335	1947317	2022720	1740287	1689959	1627349	1693671	1854551	1938344	1858483	1550368	1580649	1567918	1747068	1905735	2000319	1840828	1243916	1317901	1530918	1720526	1807094	1435383	1025095	1253806	1295417	1384867	1485659	1230852	844519	1002646	1299809	1203973	1338782	1550850	2085892	2018582	1956951	1917865	2238892	2196470	1945209	2030982	1920412	1981384	1756121	1962485	1602924	1842041	1904750	0	0	0	0	0	0	1765694	1827944	1890170	1672883	1582919	1237068
Asp-Gly-Ser-His	199898	189693	491054	623032	564891	516312	971604	842136	749455	853616	915206	812153	1809207	1660894	1471898	327458	0	139844	2630936	2257520	856332	1366265	210732	0	2879938	2755557	1618925	996683	839297	304554	3378566	3312051	2463050	1300390	845811	451081	3982745	3417737	2176731	1905899	946221	1133136	0	0	0	0	394258	249761	0	368980	0	308300	0	392645	0	346531	0	0	0	0	0	0	0	1472082	1310657	1362586	1647651	1343447	1354176
Asp-Ile-Asp-Ile	2791287	2368047	2417698	2406595	2573192	2705321	2549760	2470585	2394308	2703735	3119354	2624532	2646598	2883884	2295250	2599978	2548416	2622761	2610142	2286737	2368287	2729936	2513143	2413996	2465793	2553521	2282572	2327700	2710018	2311844	1868230	2089495	1759397	1819982	2438631	2157137	1431239	1438737	1547284	1775488	2077448	2279274	2677781	2879042	2639831	2330347	2577985	2482465	2523064	2383436	3008208	2569894	2302613	2572911	2465528	2390871	2452259	0	0	0	0	0	0	2452553	2308894	2270835	2668047	2684003	2350608
Asp-Leu-Gly-Ser	0	42131	63551	81817	92588	99509	89660	113820	0	55919	53089	59361	128664	187307	371462	68706	65271	60223	212845	237419	1417824	1370987	190324	98567	300040	327852	1855017	1674904	1030138	1099833	352817	393762	1596917	1641555	678581	906931	478509	565589	1658867	1689942	885783	1100220	0	0	0	0	0	0	0	0	0	49115	0	43935	44694	0	51457	0	0	0	0	0	0	899247	858247	868548	856507	875295	939490
Asp-Leu-Leu-Asp	1629157	1421535	1460618	1587633	1467198	1473354	1610459	1611372	1636728	1569661	1614306	1601564	1496666	1537996	1605487	1549209	1576321	1566256	1567236	1485448	1671846	1701011	1539022	1528364	1510510	1547214	1488945	1432030	1484598	1364735	1496302	1541511	1493942	1471508	1461939	1491769	1680475	1696160	1392387	1531394	1641526	1451756	1512161	1578183	1431696	1638513	1351136	1571637	1338711	1458422	1599665	1437503	1596459	1563499	1384600	1450224	1515579	0	0	0	0	0	0	1578160	1433041	1443191	1477154	1629694	798000
Asp-Leu-Leu-Ser	2745256	2283127	2915741	2877293	2714948	3022708	2490735	2366356	3463284	3736629	3410619	3365711	2489938	2432163	3370002	3295122	3073716	3898709	2423402	2303478	3211516	3311926	3281396	3698948	2573032	2875621	2236628	2591002	2400556	2617107	1998993	2137931	2195805	2288111	2072791	2436129	1923405	2106446	2130694	2138944	1889755	2497986	2889862	2338838	2349683	3350398	2451585	2461184	2315136	2336917	3273903	2397608	3412344	2390382	2580737	2593104	3651379	0	0	0	0	0	0	2469439	2692116	2806695	2511478	2504391	3411934
Asp-Leu-Leu-Thr	262018	364816	284742	285056	299013	186815	294714	368336	249991	282674	230686	208595	359119	421151	237890	312167	287506	272071	344644	306245	230450	249117	296755	295911	315645	333786	330276	305311	265836	177284	401894	346117	319643	325934	267307	235059	409835	385952	426673	384316	277128	342164	363561	497465	310368	299367	312918	381399	288024	379959	280837	268697	268735	351473	258632	241415	204865	0	0	0	0	0	0	339777	290796	313408	357402	281869	321713
Asp-Leu-Lys-His	457801	517839	555191	505869	572688	488409	412960	549999	555158	485767	434844	581348	429365	476694	519542	538362	433033	568057	433941	438494	561905	533077	537765	523732	412951	339239	477407	422129	378307	380282	409588	361467	455571	391933	409091	350575	370928	332189	403800	327818	453342	425623	420703	447286	432280	594421	421128	464749	460527	478178	569466	521412	463953	605226	385373	524837	589723	0	0	0	0	0	0	530982	414081	444428	627787	523159	480061
Asp-Leu-Lys-Lys	138606	149596	247421	169518	193771	192461	212774	158649	246342	230188	191848	258202	116144	141000	264270	208093	227268	250334	134714	144694	238020	243787	215216	230310	152241	151524	161249	145401	136680	144031	112818	141705	116258	132495	147245	151431	115152	120182	93204	114726	171216	156946	145334	157763	132637	224171	125411	137962	163509	170529	239204	123740	253857	113254	131222	159088	293448	0	0	0	0	0	0	382449	365119	349759	333754	343544	380220
Asp-Leu-Lys-Thr	157035	125003	169327	160248	159895	176867	166379	125727	240640	194707	244442	246266	147962	175455	198491	179933	208436	255337	147459	147380	222092	215473	162404	219615	133111	145646	204967	151098	157880	175604	138446	158358	158023	177412	117544	132147	137036	149157	143437	136899	147889	151206	144052	150542	139231	212354	136211	141054	150274	195566	260115	152382	186066	128156	135524	154098	232911	0	0	0	0	0	0	225523	168379	218186	167962	144738	186188
Asp-Leu-Met-Thr	2628384	1902568	2658270	2315898	2499421	2506758	2074264	2662986	3030991	3358049	2269789	2762957	1314625	2425124	2820890	3083627	2643701	2693919	1341682	1954540	2139850	2348946	2593530	3574370	1479955	1395971	1682899	1908585	1660089	2393972	1188221	1219279	1467550	1986181	1519560	2075082	1337848	1707250	2136312	2049626	1815662	1853373	2812138	2394515	2315406	2820281	2798821	3422990	2878545	3438499	2722322	2550399	2557379	2501238	2744379	2113865	2437212	0	0	0	0	0	0	2408312	1914411	1971612	1836427	1672921	2071540
Asp-Leu-Ser-His	88809	107663	99670	102460	113958	139995	47353	41325	93012	103864	122883	90696	0	0	89551	102351	105671	117799	0	0	0	70587	108073	107327	0	0	0	0	74904	58935	0	0	0	0	0	0	0	0	0	0	0	0	132191	151193	151013	105673	148158	127373	121147	122226	138544	123339	110488	128748	110797	130147	117250	0	0	0	0	0	0	69797	58221	53308	52338	59958	74294
Asp-Leu-Thr-Thr	409631	478117	534110	407625	331806	465251	458281	423722	581228	441426	357422	380224	350849	397901	462266	410606	438679	370166	370119	309294	475823	468168	386404	378797	314040	358842	441431	348260	310627	305096	303152	315594	290653	336484	316789	343002	230080	275941	325932	355610	308630	329366	453288	446998	506513	459267	444800	432155	438188	423936	372804	314821	377916	438253	455549	356057	367436	0	0	0	0	0	0	433416	399396	426747	393023	325236	335549
Asp-Lys-Trp-Gln	360651	259773	314993	344900	337550	372303	256968	278367	478776	456897	378336	501853	222879	242398	427142	518302	405258	480349	208869	222223	412624	483264	386237	484391	247732	190462	212070	230008	221300	225682	112731	154347	107121	115051	168306	162809	124716	152442	112308	101505	152021	179111	301052	284388	262098	433826	295160	319423	244983	238429	479962	299769	437081	298919	237484	275519	536514	0	0	0	0	0	0	281903	291075	299219	306833	308329	329662
Asp-Lys-Tyr-Tyr	256746	257542	263506	267393	296310	328409	242329	183577	288387	272824	326659	346160	156389	199016	343583	357026	288503	311750	130335	218365	248874	269294	305993	296659	0	206808	154821	180421	195299	298668	0	0	152115	194813	166782	178166	0	0	0	212344	188692	218484	248046	285183	230159	388087	231764	277467	224057	217787	287160	244402	297381	261636	276274	292447	283057	0	0	0	0	0	0	219199	222845	270089	244647	200689	259230
Asp-Met-Phe-Val	244579	363576	341395	532180	616314	637327	266447	322156	340061	477559	407692	619730	298746	331338	426803	384773	531262	504218	297609	262244	372554	355570	479382	594346	316611	308595	492320	306992	553595	503016	291275	249015	293258	297230	369858	456160	186087	374217	308388	407099	352976	531304	329311	355389	265283	343936	412618	363235	473001	442487	557729	557173	530514	594788	749271	777917	665166	0	0	0	0	0	0	761026	937319	771556	714994	887916	704573
Asp-Met-Pro-His_1	239513	229633	147014	129355	116102	173270	252188	225352	151581	145477	123883	160306	227469	252564	159267	123832	113631	126840	237140	207999	190216	123206	125974	132926	316808	173503	202848	191906	140510	175634	226533	213247	230020	231132	174473	235627	250863	213897	250794	209224	184975	211265	209711	254265	245983	182571	124745	139892	163190	137473	101339	121709	125370	146732	165865	117463	153745	0	0	0	0	0	0	174454	179266	165565	172600	166623	192828
Asp-Met-Pro-His	239513	216339	249450	214316	144659	148393	252188	273619	166669	148844	139568	95702	227469	252564	214871	155749	107476	102242	242916	207999	118100	131146	125034	134502	316808	179303	93268	85994	85860	79604	226533	197852	91769	83265	84241	92178	247516	172850	108355	88892	0	86928	290244	305065	245983	239543	302138	267090	245311	224329	241351	209043	221109	236141	214004	175509	199849	0	0	0	0	0	0	108117	99115	63041	120349	180993	83598
Asp-Met-Thr-Ser	573175	547405	439792	445990	430842	406704	735288	557978	509966	406466	492898	283557	562375	526029	390384	405240	413699	305665	488528	371630	366813	354519	398857	398370	446680	280536	184843	281942	168294	483133	375477	296484	127230	279595	174107	470344	301533	278593	152462	140146	145916	220259	439663	707128	544461	459711	255702	242141	428655	288873	424600	289959	498253	188075	466656	218118	282074	0	0	0	0	0	0	370892	371813	357990	481366	444272	555480
Asp-Met-Thr-Thr	401526	350284	300860	281682	294958	359325	431367	395918	316307	325058	270262	218254	480853	385633	342903	250921	248232	199395	487820	389245	256706	228286	288471	224833	423352	328304	115370	214012	175572	260633	419833	306889	131141	237592	136202	260533	388586	332068	141803	127378	137836	195767	366282	605308	451694	350957	122831	172722	334638	213368	338236	165124	235246	168697	353959	158651	215560	0	0	0	0	0	0	488506	260996	261631	318508	325858	346296
Asp-Phe-Thr-Thr	888331	890040	878647	805092	960272	841885	881749	792462	827299	815374	968546	965587	645173	827499	862017	813225	868733	1096972	663522	589112	580243	927185	794742	872782	499505	576954	439279	602870	750597	757793	345348	341039	421319	482256	738265	682752	391346	296329	314553	368148	617453	659837	878506	1102459	934369	843989	785828	981565	919727	929385	951727	847010	851054	840627	945834	963987	1025748	0	0	0	0	0	0	642136	743004	598935	729999	692480	806287
Asp-Pro-Pro-Ser	260196	352620	347705	410272	339559	317219	237999	332518	382366	310186	356337	298357	351825	348599	267691	320319	322480	338684	274589	275780	375755	415227	313186	337197	260345	436771	346253	364644	368657	455372	321504	360571	336942	336371	411993	591415	288743	367066	342918	437631	496494	362166	295192	414695	275714	351404	263356	316283	390668	293013	346814	279863	334085	269972	429156	288192	412537	0	0	0	0	0	0	316494	310174	317208	333532	399221	416237
Asp-Thr-Thr-Asp	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	142771	135487	135540	149808	152653	161747
Asp-Thr-Thr-Val	335949	277398	286833	262491	300392	319207	294055	348114	295102	284692	223469	356170	268004	268451	293988	336506	296666	280541	295963	255990	284361	316874	316103	337039	265049	275256	278282	271999	309496	317621	239811	248900	306997	281681	280631	225006	248525	269667	330287	281791	310763	284576	281797	297379	274694	288402	264392	380488	313625	297851	288547	285594	251394	282061	298949	359003	404951	0	0	0	0	0	0	267385	239736	298820	378382	294942	326478
Asp-Tyr-Tyr	309333	380329	361876	356209	265632	319816	384969	333904	362692	318474	348856	393360	325719	351313	390490	296323	290623	398976	313021	327038	367054	348954	370985	425539	328602	406707	376352	347074	350954	281576	329800	377202	353133	296208	348710	399685	349710	357028	339311	388933	347487	320928	321934	349205	384623	327961	325061	429380	322936	304731	399517	296218	375213	283860	331971	76897	339448	0	0	0	0	0	0	282515	323135	344792	347180	392040	323376
Asp-Tyr-Tyr-His	116421	100214	77750	26537	28429	30500	111846	83287	58650	40272	31007	35958	139551	85398	69216	40081	30248	32362	153414	130172	64501	34363	26559	36425	164747	120467	47539	45688	25580	46361	157757	144106	74072	44545	30267	50271	152538	100399	65882	35674	28410	28716	89297	136489	127105	77216	52468	67274	41503	34490	34079	26740	25411	23672	39431	37217	35841	0	0	0	0	0	0	174171	103358	55951	32165	34188	50574
Asp-Val-Asp-Pro	600835	792108	740911	697020	839150	952748	539176	658733	788513	687021	825033	844965	507200	597308	810874	605914	768342	799657	591969	596020	859155	823899	771503	1068477	693759	640570	816148	693422	770640	831601	654555	685527	915798	871995	814958	690663	677564	694538	874489	773974	895966	799596	726340	642783	641100	688298	806015	809289	676802	866084	744348	856205	770311	768424	806666	743729	937614	0	0	0	0	0	0	763148	606928	779748	668848	778770	893476
Asp-Val-Gly-Pro	407070	357989	449835	464904	417918	468446	345357	376188	544028	497329	496060	522582	329413	335384	534349	482238	550382	527007	287187	269275	543683	512890	457308	543954	267038	322516	323826	437403	349540	384930	236298	268961	297096	343977	346536	386637	226127	247536	264049	333389	321410	347586	366475	381312	387308	528303	336467	328412	371336	397724	553861	383787	456649	374545	352048	323877	542369	0	0	0	0	0	0	476334	387660	430477	392280	406344	356049
Asp-Val-Pro-His	238630	167280	159381	190261	213552	187498	181309	206557	159607	210170	181519	216718	209041	190301	164797	204019	226109	209085	167020	135325	145053	220851	216456	195162	174323	185652	155369	135556	179435	108541	147942	171400	126065	143094	154042	108735	131600	132478	100415	161675	185740	126893	192629	265686	163657	163069	215966	203882	189512	201870	232064	179932	202405	211432	152335	204751	198313	0	0	0	0	0	0	172210	210850	183615	161285	174602	173292
Benzidine	360841	339627	314833	293516	400446	321491	360364	390591	273194	271262	305361	258600	351438	384726	237633	259989	273269	200094	329340	336844	287242	225352	327650	222328	378354	401107	277040	317692	217433	381493	355812	406851	252998	371841	201427	294081	409842	442618	242364	245530	265036	216910	331143	394538	442821	286566	237535	225343	283996	253305	244696	198954	248915	207056	316374	221612	250013	0	0	0	0	0	0	303501	306571	336275	336176	349109	335892
Berberastine	85374	121306	98954	93308	92088	109424	0	81693	82136	99869	91887	82541	0	0	61395	69842	77989	69748	0	64464	0	52549	66655	81745	0	62847	53868	50501	77444	86639	0	0	57681	0	68968	87896	0	0	0	62600	79809	65084	135686	159660	91730	100693	112286	118973	124767	128165	116466	127719	88624	113672	126138	106911	85436	0	0	0	0	0	0	120636	120944	163564	144648	145364	142246
Bis-D-fructose 2',1:2,1'-dianhydride	2327968	2509583	2287336	2078109	2105262	2152818	2223332	2298517	2312945	1963583	1936292	2404095	2235092	2264999	2301405	1884177	1966072	2343115	2163461	2242664	2551090	1909065	1961259	2311259	2216155	2464210	2313734	2046024	2078112	1935891	2492158	2374532	2442089	2127091	2011527	2244550	2375085	2502930	2315114	2174392	2155084	2122340	2263089	2295667	2383399	2246698	2133169	2221502	2008329	2159148	2060277	2024386	1733784	2189387	2066799	2311194	2343475	0	0	0	0	0	0	2361723	2227567	2331182	2354097	2164953	2098280
Boc-Asn	408994	350983	332864	335763	360778	333068	440208	368354	341149	384990	413871	285925	400230	296555	423069	337757	311339	322712	405075	297114	432711	377943	324497	273652	380943	370395	310546	305511	358139	361840	447765	317855	329605	373207	263485	363326	421797	271178	304397	243857	284098	351058	382552	432446	409539	399644	312438	309277	263758	312176	356033	363615	336781	284509	317588	246739	277109	0	0	0	0	0	0	352653	404040	340913	326614	394661	383524
Camoensine	6458960	7986678	9185630	8218806	3675815	5496850	7692486	7293799	8690725	9548864	0	0	6611449	7569161	8721866	8260158	7670564	5025240	6668479	6487287	9113136	8711762	6522627	4956246	6721748	8147506	7361511	9205988	6018024	0	6503464	7497229	7175039	9567538	5659016	0	7353175	7221359	6284426	0	5321007	5349070	7418260	7203450	7640532	8602931	7162167	6396008	9445797	7984014	9522387	5442923	5066818	5611697	0	4415871	5204335	0	0	0	0	0	0	7308858	7782110	7604020	10200000	0	0
Cantleyine	537102	559406	0	0	732589	0	598973	914451	412016	0	0	0	721772	816428	733977	0	476801	0	658046	854523	1020093	677658	0	572508	867963	1728056	720889	1122481	1654062	1409914	1531455	1298867	1113775	1320115	1103691	1132221	1953351	2219704	1194596	1446387	1331021	1758440	0	0	400883	0	0	0	474517	449581	0	0	0	309808	0	0	0	0	0	0	0	0	0	512337	906428	911980	1262688	893060	1150296
Cardiospermin	207650	282929	255057	197735	183191	212771	265268	315780	279603	218409	218387	201908	204947	269064	247527	186883	231142	178837	252532	225328	285164	203882	185355	173745	211738	271902	154992	247938	97476	198344	203974	313665	150911	261963	107479	305833	218959	245776	145634	191118	149993	195957	199259	245093	278541	279850	0	84218	201440	107660	202922	129370	243461	87645	256786	111287	167134	0	0	0	0	0	0	305346	244292	264069	241428	225157	211855
Celloheptaose	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	84894	0	0	0	0	0	111565	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	135166	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	183127	174150	191641	187483	140842	175679
Cellohexaose	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	217377	244053	217090	234798	214686	224325
cis-Aconitate	725206	794709	938780	966738	1072421	963228	1868974	2192746	1118913	1148561	1098854	916577	2414514	2529404	1729595	908294	774528	507243	2447874	2042794	1948396	1901492	1875187	1259271	1884910	1806587	1421702	1069025	1274870	1021446	1417573	1648939	1349267	1265580	1192632	1143625	2063688	1921729	2012401	1831867	1752767	1553780	181715	234075	220927	174104	207641	200550	185368	223326	182272	224827	189876	203289	186634	239202	168116	23004	45103	27467	0	0	0	9520028	10400000	9481393	9417362	9089449	9366333
Clavaminic acid	225200	206325	197377	211189	216477	230054	196471	195169	190145	195926	186537	202919	189138	176979	214992	222112	214681	204577	190727	181606	220257	187565	179587	227470	198433	177938	165947	177840	189035	171819	207409	209583	236318	174408	159655	160167	191856	186869	242271	210081	190762	165951	219112	320175	203995	226989	216080	172403	206720	192653	192410	231484	193482	162211	197835	215051	190550	0	8155	7714	0	8297	8793	184261	194102	216380	210487	213401	169572
Clavulanic acid	106561	117640	130675	135144	151614	120368	99532	144885	164267	127409	122530	136358	137097	141390	137840	134851	138495	149766	100750	98261	126210	148723	131423	136325	150873	109390	105405	148182	112740	114457	126389	127852	110806	120903	148412	111278	110114	114559	104539	110292	103121	121933	128221	121021	117698	142645	124807	103611	141165	111649	117738	126337	124381	129425	124075	143016	135727	0	0	0	0	0	0	128731	129304	147646	120807	125396	137238
Convoline	339411	270329	286549	310614	328857	282401	286494	267779	331951	324653	375899	331051	199508	269659	259688	281963	316328	345847	264227	201670	255457	297692	282720	330717	282000	301180	256875	228162	288709	334796	306594	305900	241658	246632	218526	376108	286657	276912	280528	307718	327917	337708	300001	324361	305868	394491	264174	293448	257175	287971	323979	287878	287790	274869	284052	323389	339119	0	0	10445	0	0	0	337526	250471	300207	338935	305692	357912
Cyanazine	475366	433135	0	0	381095	0	603458	490836	0	0	0	0	726640	696729	0	0	0	0	814606	718107	0	0	0	0	867157	720655	0	400270	0	0	918455	865998	0	328612	0	454205	1114433	1019065	0	0	0	0	390094	897895	759653	0	0	0	360575	0	0	0	0	0	0	0	0	0	0	0	0	0	0	396085	654861	526178	505087	881402	604265
Cys-Cys-Gln-Pro	120263	129797	171688	215528	194557	244331	0	71556	131776	159829	165493	184467	0	0	123866	135433	134939	159111	0	0	57891	106769	130685	169693	0	0	0	0	56678	77449	0	0	0	0	0	0	0	0	0	0	0	0	169453	145532	143380	188527	194689	193344	199108	181070	204339	212992	240339	220366	230270	234544	246429	0	0	0	0	0	0	124479	112215	133178	108323	116144	119905
Cys-His-His-His	275386	256465	198173	161270	157447	182412	293692	234073	197475	259291	176184	187470	294820	221105	310939	203953	174729	207048	203379	196287	254189	232501	199616	250791	246603	226495	257114	0	209512	160382	229136	0	0	0	0	0	0	0	0	0	0	0	272718	297094	248026	238893	228055	170038	242517	200969	194048	206784	133623	170991	178401	169816	168924	0	0	0	0	0	0	0	0	0	0	0	0
Cys-Met-Gly-Ser	433846	612410	723360	480487	636889	342767	808171	771649	533463	440526	539617	328054	799351	793557	543331	534615	544101	282499	853102	852342	591076	505354	371857	392217	887543	832367	427835	654365	402025	575627	874003	799184	357960	673251	322083	793575	920882	957518	398726	450131	440989	426846	493939	946071	744645	591261	331082	345659	479591	278217	380109	232771	432979	323084	643930	328991	341734	0	0	0	0	0	0	520796	577991	670302	567756	575306	685892
Cys-Met-Thr-Ser	309066	326023	255817	281872	290030	330875	297745	268357	269759	314924	333497	316617	269261	329590	235719	273972	274011	285990	213563	240089	192595	286249	266743	342756	248825	313865	242194	262173	274860	262003	117482	140361	214705	170341	312594	253899	143425	176563	151525	208614	215655	271162	285777	356642	384572	281790	363548	326697	330277	328505	297148	289691	276814	297899	229576	305515	287790	0	0	0	0	0	0	283125	289597	253770	270662	221336	206395
Cystathionine	0	0	0	0	0	0	0	92368	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	103213	138895	0	0	0	0	0	87709	0	0	0	0	0	89160	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	169533	180844	185919	167761	169755	175528
Cys-Trp-Cys-Gly	86990	136158	126274	115170	103196	94833	104842	138950	155275	104369	95951	138699	96377	109965	153852	143785	105775	116900	94231	136629	137247	112642	123885	122128	85483	122065	124363	128093	136507	116190	94233	130176	145425	142124	128401	163669	116066	119502	131907	173116	146367	123814	115670	79039	88504	145988	97872	80927	123802	103698	97927	97208	112072	128300	143810	112867	103957	0	0	0	0	0	0	170741	186275	134563	113300	118568	134109
D-Arabinonate	10800000	10900000	9688013	8653381	9292795	9114190	11600000	11300000	9427072	8053632	8609531	8210543	12400000	11300000	9007495	7715553	7966128	8028099	13100000	11200000	8791153	8045900	8332335	8092147	13200000	11700000	8546420	9006804	8609037	8717780	13800000	12400000	8189089	9686342	7747380	11000000	13500000	12200000	9628606	9140448	9321181	9350537	10500000	12900000	10800000	9183456	8544819	8524484	9060541	8277511	7694296	7957487	7862654	7949360	10200000	8012944	7849010	0	0	0	0	0	0	10500000	10600000	9996969	10100000	9729639	10200000
decanamide	101955	121799	114020	139889	128240	136022	131439	122132	131993	163761	133472	149531	111640	114304	120662	151756	167491	187921	116223	102882	154105	146746	152668	143653	108088	114471	124728	140669	101214	139724	120287	117560	123010	128517	153612	145931	183915	137012	106251	170464	197484	129245	137721	102451	117281	134979	130121	124193	96382	93313	155952	115278	142682	101710	133863	159542	128960	0	0	0	0	0	0	106209	166286	129809	123529	157941	179169
Deoxyguanidinoproclavaminic acid	684591	718362	826464	879378	756619	611698	716482	800072	812993	641414	718082	654620	796594	878290	743085	504347	573161	666331	628345	706660	805105	679568	657739	719576	732559	815100	639323	848104	670090	691566	789107	811509	674206	884148	623124	831859	886196	898395	875845	844965	667303	866563	747581	866384	710647	709162	637728	722708	907732	699369	840762	695923	612679	672858	756965	613920	610847	0	0	0	0	0	0	860036	736756	986056	771770	699461	781745
D-Glucosamine	128260	166122	145630	149510	176030	154698	137188	144710	152636	141530	121913	153374	148711	159410	157805	148471	167952	122049	118949	110333	129550	154068	161801	192004	142488	144858	170903	199355	153673	136409	156205	131493	153337	100552	125372	185325	149485	178374	124070	159820	162105	122162	150755	138972	130577	150889	126006	129321	167568	125574	149634	135528	144216	150657	152503	145143	155099	0	0	0	0	0	0	253659	181635	171307	195753	193886	183370
D-Glucose 6-phosphate	111882	97957	106555	109175	105128	124353	117743	114386	138520	119066	139511	139649	137555	145475	110230	111323	83491	72109	145788	172155	317127	299016	96651	106245	173894	201500	503573	452939	278931	245769	182547	195354	444624	452848	184280	294548	165497	169250	384405	472839	289110	341221	95883	81898	90770	0	79970	100964	56036	92485	74390	74280	71064	79984	78083	72544	91882	0	0	0	0	0	0	445705	434316	409017	407088	416042	384938
D-Glucuronate	175583	202370	194284	215340	273271	250539	178214	181319	202093	223261	210822	256142	162341	214796	215156	236877	196871	202017	157865	167530	236903	242413	238607	230115	143615	188013	183678	217730	219915	225988	131835	155776	202387	221248	166245	252750	160660	202686	208766	172086	169117	202322	217064	162659	218517	198373	184482	174427	201614	214251	206361	181156	201805	165011	276838	247129	167860	0	0	0	0	0	0	2644318	2950865	2959837	2793195	3076021	2653761
D-Phe-Pro-Arg-CH2Cl	628586	614819	496057	584828	642279	443121	487907	541246	463954	567050	602380	532259	486253	440109	515268	539768	543036	644420	414226	429624	398469	416421	533543	506133	332180	351654	449282	314311	593002	372734	218310	272959	340392	231048	569818	468081	157186	175770	290011	358066	513541	503989	538648	558402	527015	567439	665364	654069	573476	635775	519648	682732	491048	592235	514244	596636	623494	0	0	0	0	0	0	505486	496068	430130	474517	402319	372685
D-Ribose 5-phosphate	0	0	422968	397835	462529	359590	110453	112680	669099	693532	704799	704224	279937	234881	315899	126786	123961	138706	388012	382931	1165850	868668	99867	0	682813	744231	1893675	1925188	667817	464658	824898	971410	2326423	2507445	490570	663836	884458	1024678	2722930	2902362	1071344	1198837	0	0	0	0	0	0	0	0	0	0	0	0	0	0	51405	0	0	0	0	0	0	920576	897415	871970	726942	727924	752372
D-Sedoheptulose 7-phosphate	55717	89756	140587	159426	204392	158963	79859	104515	256080	223259	250464	265653	94361	109719	194710	94696	0	64976	109011	124347	313968	351139	80246	76200	0	237014	465672	412832	272049	251953	211843	284492	426344	398979	283221	277323	0	457229	317601	489605	226726	343286	56136	0	0	0	0	0	0	0	47651	65924	0	60210	47106	55178	0	0	0	0	0	0	0	245185	221172	197888	184077	241658	243044
D-Xylonate	3451171	3341016	3410199	3635180	3407686	3169247	3438389	3460543	3502410	3362230	3507916	3265536	3369273	3294698	3253696	3416888	3335433	3177453	3480128	3518002	3313642	3220529	3331061	3283354	3510669	3513031	3374558	3607311	3243733	3347660	3611586	3464767	3563305	3997856	3402173	3317368	3638739	3624937	3560078	3786498	3309955	3268550	3116513	3597800	3452227	3661771	3094582	3115983	3439512	3564212	3551522	3556352	3901913	3352039	3324597	3304821	3390497	0	0	0	0	0	0	3769932	3417850	3472319	3389057	3753439	3589880
Elastin	207715	296314	212658	197068	202999	204072	194596	217480	172420	183824	175962	216826	230734	277396	236685	221330	176474	210959	186095	165949	178285	226147	188337	229253	180624	195614	222390	235348	183411	189240	128500	175966	172630	128256	197978	183959	136202	150834	106758	139375	153793	159922	223549	229171	190800	218933	226969	252123	217029	242739	247821	175494	183560	184470	269280	215366	195873	0	0	0	0	0	0	197649	163538	235296	178831	174709	171558
Ethanolamine phosphate	165575	155067	130583	116435	137023	132844	356600	385190	127889	168411	128025	135790	454778	472374	179851	130411	129624	113812	546447	452902	509663	606998	160906	138878	598803	608769	819759	867070	850975	801595	725360	621821	918923	829407	2564515	3304195	608203	676085	1096060	862368	2613614	2838574	130268	157224	130141	117024	135606	129521	134907	116119	126982	116443	124533	123445	137221	117744	104494	0	0	0	0	0	0	660631	604541	645666	523033	558978	562425
FA (13:1) tridecenoic acid	64791	52703	70354	63474	0	47296	103443	101315	84199	81047	65888	84273	149191	156402	66303	44373	66069	57125	289214	199271	184073	137854	62791	56430	413509	323923	330062	258237	206039	154366	667875	610850	502739	493263	296828	298465	742387	698252	559000	480661	256352	208216	72337	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	224954	226063	279681	243226	241387	266449
FA (14:1) tetradecenoic acid	164575	101181	182777	126881	117034	137219	189109	128970	151490	107638	140504	228824	160046	174274	73717	88181	76841	267269	113239	163461	287582	134673	73047	158438	217232	119018	346846	331527	301939	216230	683680	310004	638235	358268	474235	618981	644934	506335	559710	372334	254714	232022	284135	167685	124257	137897	97355	116259	80522	110858	69626	93877	67713	94495	115675	110163	136135	0	0	12658	0	10612	11164	229230	213856	220742	216218	197739	258631
formycin A	491386	319240	277219	339043	276155	445734	298501	300102	278406	246545	354094	347039	332634	311448	306003	301852	347091	338202	302448	274193	314606	317750	332283	405939	292384	291343	399928	315200	363732	258127	366667	249372	377739	251506	389042	274692	237645	240390	427079	270781	364161	333606	351798	399120	355107	351069	301084	389444	374742	410587	386163	338063	325224	406901	376886	369986	356951	0	0	0	0	0	0	287865	330651	323716	343224	295698	356863
furaneol glucopyranoside	351764	357554	546629	453384	396035	440720	264645	389300	473770	370708	332706	427169	291115	458659	471795	293100	340590	387276	281899	374696	438244	425099	364984	406885	290690	268723	294285	397565	237017	376100	310377	446912	269456	494702	299165	486196	227899	333592	316896	405682	355608	298385	419097	312118	322548	496854	319140	353865	393999	391234	388194	331158	359155	289829	497499	339787	507554	0	0	0	0	0	0	362733	429837	363863	345533	288313	380196
gamma-Glutamyl-beta-cyanoalanine	548594	571299	634023	606687	580968	555331	669300	569814	606493	577927	560532	594666	494504	688030	712659	529213	531181	587075	462480	515487	764893	590046	496362	615405	596689	619416	555439	659955	566135	652221	490030	635597	705812	671357	548103	666539	552606	551022	573219	645556	550060	633541	610099	549699	470376	748529	582193	657567	639561	667711	588121	598701	607346	537354	626342	616179	570204	0	0	0	0	0	0	531775	555150	530917	597811	602612	548479
gamma-glutamyl-p-nitroanilide	0	0	0	0	0	0	0	0	0	0	0	0	173995	179816	0	0	0	0	317098	276590	148035	0	0	0	540401	440136	329876	221618	150684	0	1152211	1069241	677069	533458	313524	271450	1538476	1447485	887147	925838	330679	518903	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	326584	338930	456539	311606	300734	350253
Gentioflavine	711090	870975	820236	712507	711236	1136153	920478	1325500	854471	808896	781799	1109964	882104	813151	738044	999595	1096316	939978	686775	841933	876292	1003306	1345490	896975	772204	958678	691037	730432	821938	1042472	745804	836814	731275	1216258	994612	1841428	1202308	1397404	798833	1356473	1227299	1162453	895057	684012	736961	688924	807905	614316	850632	591200	879520	524299	645970	715078	1534960	886199	1291675	16320	12176	13369	0	21052	0	637516	862333	1068912	814116	830374	1196674
Gln-Gln-Pro-Pro	446586	291874	345752	401237	440186	455873	320278	306370	457023	446712	392272	617704	278829	325437	547444	469551	540602	557828	269097	237472	632392	553869	490432	655268	325947	388484	261559	306806	326586	291964	294039	237136	227422	288349	203033	305197	216799	166012	265557	163366	251801	340594	197888	283915	342984	565293	235761	247107	320196	296761	672164	295055	533684	331516	262178	333465	555476	0	0	0	0	0	0	373091	308577	418091	416750	344960	407079
Gln-Ile-Gln-Ile	3257297	3559616	2712388	2574618	3202039	2863211	2868350	3945918	3451355	2955444	3110520	2812009	3397494	4191763	2419412	2668733	2535363	2786605	3551821	3176459	2671289	2579253	2335289	2803739	3404104	4117465	3510127	3984951	3948928	2680466	2845435	3411807	3606908	3441022	3734149	3022506	2396681	2675854	3224904	2941475	3986651	3126814	2906612	3562028	3185794	3315554	3740196	3823207	2490249	2955125	2788655	3249640	2794765	3202369	2655794	3184475	2919027	0	0	0	0	0	0	3730141	3297600	3277088	3228415	3051604	3727588
Gln-Ile-Ile-Tyr	1380243	1036941	1409507	1323704	1497587	1374167	1150088	1091983	1981457	1832997	1409800	1659929	1244115	1166389	1684741	1639131	1360608	1943891	1135404	969545	1578089	1697640	1528781	1933362	1067513	1185329	1017201	1096782	938012	1079214	1125447	989144	677031	849661	964838	909357	668526	812800	783570	855166	876723	762547	1040015	1133874	1064874	1744703	1083076	1048434	1051268	1079347	1897778	1012711	1829577	967084	1047231	1002326	2073725	0	0	0	0	0	0	1293226	1154928	1137827	1175660	1464743	1645018
Gln-KPA	559908	563336	484393	485261	555012	484392	608849	594875	436596	486550	521983	572083	621745	492854	561069	531127	563020	521037	521186	497933	549890	577092	606384	529512	640356	477041	510616	481226	619572	496090	499934	490837	420263	500878	507343	550727	465469	484118	437597	419838	565513	439563	521662	586130	668553	583114	558618	518891	556540	448793	536139	430494	527267	498646	500752	565497	598844	0	0	0	0	0	0	604578	543253	543592	590447	554630	574078
Gln-Leu-Met-Gln	1733619	1599234	1884363	1640873	1731385	1790240	1611004	1828500	1607676	1606618	1513173	1866237	1718104	1803326	1472170	1898701	1581357	2046463	1553435	1521036	1546246	1461967	1966690	1611489	1317011	1756725	2125675	1334857	2233149	1961961	911687	1487612	1615495	1462982	2023685	1616064	806394	1194679	1290345	1647835	1915651	1774497	2381571	1111000	1865325	1324525	2669442	2252792	588827	2007287	1891326	2017105	1711447	2031130	1375372	1953237	1473330	0	0	0	0	0	0	1635921	1593175	1683045	1496424	1757766	1545748
Gln-Lys-Pro-Pro	5425328	5273543	5321006	5719771	4938155	5312404	2085025	2133979	5361583	5726443	5292258	5596916	611716	745788	5741416	5255943	5686874	5563960	302050	391190	2943795	4171436	4913014	5727033	134946	158621	1483260	1630749	3453487	3192967	0	0	346977	431100	1940407	2036702	0	0	174559	367477	1654468	1513503	5051787	5660059	5039722	5625538	5620816	4944828	4875545	4730723	6372998	4473030	5303280	4916058	4486076	5022322	5677083	0	0	0	0	0	0	3412261	3297714	3058493	3137541	3238712	3225796
Gln-Phe-Phe-Tyr	243009	235368	212859	259261	278661	300626	238727	243482	225567	321782	279564	270023	268759	246579	257645	327402	271295	385693	231339	253056	209471	265333	259477	298029	275082	313080	239117	261642	287123	214575	245642	237624	231436	180277	330617	226038	210343	221000	291449	197998	374238	283665	260091	257689	245702	222379	315250	271733	282037	274559	309024	240125	267970	268016	206107	260839	268916	0	0	0	0	0	0	136725	115239	164610	133971	116730	141416
Gln-Pro	277093	341877	378120	348695	312359	321383	319250	313654	371431	339115	312908	338058	287064	317668	350734	277968	356943	361302	272453	337037	400191	390368	329622	354952	331182	318005	294595	353456	284846	325771	283557	317042	212517	332063	296862	403334	231362	310305	315154	260740	245169	333354	301719	348165	405522	318934	275716	312683	312111	260601	315343	291941	266716	276668	360251	267774	345834	0	0	0	0	0	0	329195	313300	297575	362025	404362	305610
Glu-Ala-Ala	310775	413001	377274	300155	329437	278584	295111	366527	279551	200416	334025	292345	349169	344114	332091	299803	329292	313958	365129	320157	329478	309244	321464	250572	398769	328663	373044	294840	599412	348109	355211	365198	350765	351820	376029	376682	401124	398147	409536	358052	312839	338498	299335	407105	249378	276041	370840	330007	409943	343546	304972	319687	302638	282329	304305	319895	304534	0	0	0	0	0	0	335864	393456	340582	356335	300044	421039
Glu-Ala-Asp	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	133033	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	178407	0	0	0	0	0	0	0	0	0	423261	480683	463364	520948	479630	477585
Glu-Ala-Gln-Gln	94288	57550	0	0	0	0	114181	72476	0	0	0	0	163463	108609	29352	0	0	0	173748	121989	53716	32521	0	0	188926	129249	61811	45492	19425	31054	163302	139418	85995	52457	38359	40408	172657	106931	58477	28768	20756	30851	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	130046	81602	36719	23378	26083	43470
Glu-Ala-Gly-His	868218	950030	838281	832114	831454	839470	874058	920902	942632	999000	785156	858504	980531	1058442	837161	582966	1104850	1054190	929071	840197	899868	998490	839259	927368	897565	955105	779208	637661	853332	724764	820407	741064	694464	445649	677819	701182	674227	757773	515019	468660	702417	663914	1022423	954074	855720	910901	827745	753313	849915	665616	799986	932942	726798	908490	726484	698094	773837	0	0	0	0	0	0	887699	869574	736720	1069670	764309	768423
Glu-Ala-Thr	0	0	0	0	0	0	0	0	0	0	0	0	138375	154704	0	0	0	0	211532	244748	392922	386607	0	0	368364	333788	694676	558884	581903	511264	745529	568171	1010500	897107	348032	495159	482046	555767	1305621	1097228	398638	599499	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1077737	1085508	1061750	1086969	1093450	1069039
Glu-Ala-Tyr	3436972	3146252	3029562	2914506	2794468	3141195	2772281	3093507	3348968	2957006	2875914	2924015	3129110	2997907	3191308	2832158	2778860	2706337	2685130	2695028	2887592	2779273	2697571	2644462	2508403	2398189	2169034	1950752	2025175	1599047	1658757	1733806	1533389	1403818	2182565	1964880	1080771	1109368	1224758	1582004	2190121	2037781	3135349	3737000	3079221	3215361	3080886	3015868	2788065	3101467	3148137	2512648	2813310	2706703	2536265	2680540	2907386	0	0	0	0	0	0	2806910	2623056	2343351	2499783	2347724	2089074
Glu-Asp-Ile	767641	704999	723947	723506	677190	695675	687531	824674	740839	757105	771677	768490	808389	739401	718284	688356	733064	788103	743050	642748	769868	804858	735412	802022	832469	816370	728897	648182	714698	625408	854020	797040	694203	808241	651904	762282	807550	753477	781264	702800	705015	689515	816638	866745	668109	723930	618227	801049	662561	669374	833424	679236	619128	704725	770822	693589	677055	0	0	0	0	0	0	860790	696307	780315	761487	758119	664820
Glu-Asp-Met	113485	96745	78084	131834	132731	128135	89907	135745	77234	112467	117512	120601	142460	108938	74856	120873	97871	124788	120260	120831	119313	130993	119463	109819	156174	119474	161454	128089	144797	81046	153239	149325	137480	129626	131612	118745	126975	158693	174441	232636	179862	138301	123147	124033	140697	89946	131476	154647	101642	114222	110331	113918	99319	142079	106397	109644	90107	0	0	0	0	0	0	177572	146277	151635	135500	152982	152616
Glu-Asp-Pro-Tyr	458110	534909	604115	581956	577421	669220	483316	539048	485254	577670	682678	563938	564887	384235	627763	548719	563306	533120	319399	417337	768378	569703	488815	661607	419773	396462	466366	517259	475639	561175	389920	420731	495196	674175	475435	714589	430228	415606	436988	513594	563277	603353	552307	543488	522573	492624	633449	480069	534922	549346	607157	470336	516346	500371	572125	561556	552342	0	0	0	0	0	0	505327	421866	502449	552379	480965	577375
Glu-Asp-Trp	3703721	2559071	1659739	1280739	1227438	1245642	3570552	2693671	1100363	1194763	1180181	1180547	3235473	2679255	1412120	1179676	1203992	1320616	2705636	2449425	1056098	1344312	1254573	1286693	3026883	1401163	952335	901439	1400307	1214978	1989677	2016195	702784	891740	1050262	1167157	2670002	1587174	711049	819641	1241176	1180409	2380310	3719870	2891669	2219582	1667189	2146970	1644073	1394884	1301608	1373491	1102298	1486493	896468	768108	1282556	0	0	0	0	0	0	1389135	1272647	1275210	1394167	1371144	1323888
Glu-Cys-Cys	396874	360345	272619	258373	371029	305868	487673	400936	220244	232679	279502	243472	464393	287714	245046	257056	272186	228252	337301	295323	306463	332622	300004	224019	240204	262946	323057	332170	398470	379386	214039	144602	241871	208427	297371	440359	120355	0	190386	236207	338132	381071	264177	523668	278218	260963	307396	290306	235787	211820	447592	313076	295785	265979	242403	336259	241542	0	0	0	0	0	0	323608	301691	306398	282575	294552	282850
Glu-Glu-Gln-Ile	0	0	0	0	0	0	198678	159866	0	0	0	0	283401	322066	0	0	0	0	415253	301435	230599	122256	0	0	445347	415667	326809	215155	292341	144383	371099	520016	402602	334863	321650	314083	376988	394962	351544	390099	388649	308381	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	216982	226817	207629	183550	243018	185056
Glu-Glu-Gln-Phe	1694306	1642792	1567046	1571255	1932815	1633306	1636646	1620248	1493575	1498805	1632452	1690814	1659905	1663588	1479702	1425021	1636057	1614270	1662674	1405252	1620809	1686931	1407702	1548644	1919295	1638456	1635327	1380947	1638050	1409932	1969084	1911248	1716027	1627318	1803394	1578357	2051343	2058064	1851918	1920579	1864929	1689363	1888889	1755029	1608947	1522652	1776951	1719384	1550390	1705807	1588552	1630733	1517407	1857537	1559933	1621206	1673444	0	0	0	0	0	0	1713632	1558281	1616497	1807558	1695607	1797540
Glu-Glu-His	258261	312429	259428	282868	257413	261904	278449	244877	273018	243402	265831	247271	272615	243723	276528	273549	242042	245232	237723	223126	265353	246931	266145	274764	278584	240302	302419	266446	233466	265243	238903	282519	249291	295768	234728	247209	226925	283501	263132	299130	239520	264505	275004	307525	232387	243534	297995	263785	280693	265693	297130	250649	262810	253410	262973	241607	266090	0	0	0	0	0	0	253264	270189	277371	258721	269130	260187
Glu-Glu-His-Ile	514110	488351	419156	492555	500870	414362	433636	447332	410848	429593	457842	434826	561980	508904	431101	427102	411983	463349	474400	484234	412853	435966	490054	440328	457677	508956	517548	555889	448113	457170	429857	498898	450110	485950	514938	592686	554802	460349	486740	588786	453675	527043	519021	470511	467719	478936	422288	516177	526531	567534	459728	445223	424695	425011	544897	556801	455277	0	0	0	0	0	0	489616	426516	499259	484784	453393	525715
Glu-Glu-Ile-Tyr	1045495	803477	1150443	1068756	1082382	1202063	825856	781487	1273655	1405969	1249238	1699836	808450	882977	1298255	1724064	1248174	1660621	809493	764194	1561690	1493641	1328665	1627773	850225	908218	828514	853363	875515	856683	678956	782721	554500	679518	676056	801069	432662	479669	627501	508861	781498	857044	875813	874936	703787	1449365	832333	800414	937867	819480	1629248	851092	1262552	767473	703218	877863	1417283	0	0	0	0	0	0	960674	960609	898036	1044976	1086311	1147980
Glu-Glu-Ile-Val	463920	378469	377800	438006	406709	497023	391430	409805	376150	481810	467754	450926	471273	424353	498588	423282	540467	449378	448427	453070	529307	467463	435804	476447	489915	367868	390532	348921	407315	421920	424735	425651	391788	363262	480515	406944	451994	384160	323807	399211	388819	373270	395685	423795	391223	488670	447706	438134	395733	413518	501489	350327	424117	438711	360273	434842	481014	0	0	0	0	0	0	413308	415602	395537	367376	435009	535917
Glu-Glu-Met-Met	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	134597	129335	143843	150698	149914	120073
Glu-Glu-Tyr-Tyr	150117	130902	177015	190811	162566	232232	108325	131303	170006	190325	216903	214039	102064	125659	191701	217694	230755	215578	108008	114032	208728	219325	191306	223503	160587	116402	114977	144745	142647	130371	94397	84036	109071	118153	114549	130755	108082	70778	103673	109812	128090	104639	139612	144249	178504	185893	112979	136870	115965	126681	259130	127037	211138	135000	109055	143640	219805	0	0	0	0	0	0	134753	177311	174003	127262	137146	170929
Glu-Gly-Met	329235	286999	377711	396521	276144	364494	262788	308979	327358	352069	383512	397671	230257	289306	386155	483139	291889	336032	222164	174069	317368	339273	328731	334525	305891	303415	332782	284385	361192	300132	293811	274691	391423	286579	286939	353331	293415	354777	414086	361485	355613	372759	373318	232364	262688	412399	287943	263960	333195	270522	348556	368348	301759	350849	279000	309417	302426	0	0	0	0	0	0	363198	338065	317266	312855	286790	293818
Glu-Gly-Thr	790460	827409	847826	846544	769983	893472	887834	852124	668639	853420	712986	1154447	899288	898397	791222	767144	859777	887731	878646	674133	1021315	966829	748909	942893	817058	889077	808738	775766	856449	752280	789197	782213	777205	623843	735904	761732	879681	801447	991145	758534	717689	714309	844992	999454	837856	706381	833143	823478	817158	788720	855124	813643	794665	837425	677937	793722	811013	0	0	0	0	0	0	779201	846537	973744	744947	662281	759135
Glu-Gly-Tyr	376524	416983	363368	396812	449263	387209	365492	436246	418336	416728	369883	426516	395685	368566	442544	450686	372938	513281	401161	361602	428872	416207	370119	381934	409968	425910	416557	328489	416975	386198	628618	535476	428483	411540	360949	424667	460374	409288	489064	476761	394765	491228	354204	457148	328831	430193	389261	322047	362672	367811	477268	300720	359940	360582	356330	334462	386199	0	0	0	0	0	0	398080	382597	390672	378159	404249	391801
Glu-Gly-Val	4127293	3814294	3637919	3841384	3795489	3852680	4129532	4405984	3506727	3740755	3841263	3792420	3983629	4190057	3627720	3720713	3716476	3771063	3830201	3719665	3731569	3825416	3933835	3706059	3992995	4066601	4051878	3737083	3910436	3562989	3751902	3943483	3658441	3634315	3631850	3939315	3956603	3977468	3603075	3564092	3947957	3785047	3892060	4255128	4054338	3515436	3892350	3800378	3817415	3811428	3792198	3815917	4071263	3843134	3768659	4100616	3325924	0	0	0	0	0	0	3996289	3759875	3651036	3646695	3681923	4105203
Glu-Ile-Lys-Lys	619451	606919	731050	765756	813471	820897	550157	550995	850122	953665	952541	1117717	586998	665033	956022	927099	814813	1013986	545704	568719	990660	916192	905672	1102692	506196	501188	584782	573675	574111	606494	373531	522913	361299	413741	513284	577149	332950	427609	362126	348839	472960	543077	586678	555504	608226	932252	684688	636017	715519	625065	1033514	701429	884967	693427	675382	760444	1015163	0	0	0	0	0	0	1330288	1339162	1352983	1414927	1351944	1320600
Glu-Ile-Lys-Thr	269343	258722	231359	272399	248097	308378	183474	245564	357703	296987	348113	368962	287110	189463	303861	402049	308953	374429	210151	189094	305029	319837	307574	380813	208489	194461	205130	225212	229985	245939	197386	191777	173536	187158	152969	225770	181049	178733	219602	150939	203730	206331	278110	239461	204569	348632	182365	206556	238443	236966	284376	244810	320439	224097	225575	237574	358806	0	0	0	0	0	0	242414	234929	242323	217146	242906	263724
Glu-Ile-Met-Phe	0	0	926708	850116	881041	808155	0	0	1602216	1128096	1377248	1450486	0	0	314379	109791	121777	138819	0	0	48746	114209	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	67330	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	326868	342649	303165	321326	320348	300554
Glu-Ile-Met-Trp	368100	349442	437547	423293	501882	445627	325359	359060	475256	493452	446191	483833	338175	387138	493360	459224	399304	481949	295845	251360	348973	446253	465934	531618	209062	221063	258199	284360	351634	451186	0	180608	195281	198027	266860	302275	130012	126661	169818	206479	255194	270982	444277	404307	405038	500172	495216	401171	430637	474227	485452	533629	567161	457154	408390	460273	447024	0	0	0	0	0	0	349927	353400	322977	281381	336816	350461
Glu-Ile-Ser-Thr	305195	292359	302387	274990	273889	252680	275579	256138	333676	186181	330111	318417	329807	277279	364173	369511	339972	314723	279650	283982	346396	347894	321875	342743	300597	320150	236628	235158	362709	318261	289851	314729	270718	260665	331707	280042	261610	287195	367219	296558	246721	288562	272595	253918	248139	320152	242532	268082	248854	254523	318692	282770	296976	323884	241739	254551	304857	0	0	0	0	0	0	271775	339499	317455	269309	320083	311955
Glu-Ile-Ser-Tyr	722381	534216	651990	743919	666547	831358	581915	563256	914777	889209	990075	927133	552164	613303	1053567	1121998	769627	1110466	627969	577280	937947	999238	823036	1079239	563236	513828	644328	627419	657936	574523	435260	536839	505801	554889	549517	566152	416932	414680	388770	520603	544380	527320	625417	598963	506460	850272	649256	497839	621702	743904	1031285	523040	838679	589554	535996	560064	956201	0	0	0	0	0	0	768981	689283	642835	680649	634165	746224
Glu-Leu-Lys-His	951068	831443	1015506	902634	755598	853264	821429	885101	1082176	1053425	961493	1357795	736311	1072513	1122587	1061965	934754	1088019	795414	761875	1190053	1071101	921844	1028714	775572	850899	817448	822235	771801	741920	675396	768810	554189	542809	708625	660283	631629	718893	523288	559065	532741	738506	823982	871509	742329	1080654	773459	808404	815429	854382	1084534	743258	886522	873010	710843	714966	1122336	0	0	0	0	0	0	851780	836004	787060	851635	904829	861945
Glu-Lys-Asp-Pro	212149	186678	186353	209885	247297	231210	220893	235384	253187	220902	262815	273600	242155	258727	213637	223682	266098	268222	214115	192285	257826	229423	242958	268195	225877	181696	210096	217327	241186	231967	231980	193981	251626	189147	213755	206732	229000	198548	225337	193246	228345	235218	223789	199699	261056	266312	199995	221858	216614	227331	246898	277108	240241	243051	243341	212678	216589	0	0	0	0	0	0	187080	222388	213776	234514	213654	246295
Glu-Lys-Lys-Val	179584	161221	176095	161523	147864	183726	237789	222813	160561	172647	140648	220446	271868	224514	171851	179208	213482	185903	245390	253509	248989	231810	165173	135107	285164	216050	305712	239219	206625	199493	261737	267603	264824	321444	215403	271839	319261	255831	323471	336745	289513	295817	159275	184050	191977	180170	198072	176922	153834	136182	158482	195305	158357	173612	154654	192576	203124	0	0	0	0	0	0	213688	200394	262346	210472	257763	239549
Glu-Lys-Met-His	199934	109857	185706	242540	201452	315808	126339	138677	331281	259184	216950	317323	111768	164801	272845	345621	240323	391775	110577	101730	245620	317217	285788	337194	95838	127893	247267	148440	212543	142644	78782	163055	180529	153145	167712	146069	99940	133758	166231	149288	167918	188401	141986	133194	143265	262157	199058	159822	181922	165563	341065	243047	264122	219706	141472	198180	311822	0	0	0	0	0	0	171199	202648	159229	215943	170513	190119
Glu-Met-Met-Arg	145946	140303	138701	132658	110620	100804	166417	202575	109480	142715	112475	115265	170259	199962	138861	109972	100957	110230	174868	196615	155705	117895	102351	95466	159105	199161	166982	126443	138836	142111	127675	179856	165937	175182	189532	115052	127146	136198	137502	149124	135876	125975	125176	135685	182446	110332	139633	191024	121667	182798	104582	101889	96962	118860	90430	97705	109252	0	0	0	0	0	0	108932	67073	68482	106101	78499	80292
Glu-Met-Met-Thr	472908	355612	369924	479155	415333	410879	391781	367869	309310	434577	538229	487006	385968	344262	389461	438450	448369	482011	305775	330502	448904	542896	487348	425538	470382	367061	453866	339381	436625	348511	382096	343640	442300	403768	397895	345211	294327	369707	423839	459046	416077	373117	415735	369366	376433	381634	461567	436064	356417	454280	469776	427799	412090	436244	401012	449300	419194	0	0	0	0	0	0	460913	467040	411180	453155	520485	447899
Glu-Met-Ser	488441	430344	496045	595795	488045	573999	512349	454728	543170	612109	485825	582445	561001	413125	533253	568543	576842	658989	594274	354572	477737	724534	512508	691517	572162	552005	458794	502193	488649	409669	653907	412302	472218	445284	436669	430370	572067	386814	468079	506320	603614	590901	479490	396603	413359	529811	523764	457790	387937	590432	600488	472977	521353	499568	378732	563170	584932	0	0	0	0	0	0	578092	455666	437173	468310	511578	478958
Glu-Met-Thr	1560247	1519282	1675743	1901189	2010569	2018856	1430159	1506449	1986147	2027228	2108120	2280268	1359493	1582490	2001407	2154787	1991890	2432108	1217712	1346352	1885877	2150110	2094975	2315505	1306753	1382928	1527826	1314690	1741740	1511434	775486	1002692	1062941	1071485	1423563	1278228	657831	735086	890691	1099241	1459038	1421245	1527738	1263364	1423913	2071934	1710940	1790945	1533961	1701558	2423050	1838463	2003716	1816738	1547717	1750395	2367282	0	0	0	0	0	0	1564135	1602744	1516019	1510144	1460438	1644858
Glu-Met-Thr-Ser	410245	438688	346874	334033	388706	396117	346407	360670	369814	423031	361128	439730	277996	342629	358744	397539	469581	490185	227635	291649	464781	431624	450975	387063	218678	237935	335110	247076	374345	258906	186836	221802	264675	260128	324601	325883	154596	247723	237246	279507	329813	329085	424934	467040	315880	366973	420428	446564	331439	367563	430311	382011	362976	421404	313583	372212	454084	0	0	0	0	0	0	326637	380094	366615	358201	357786	273941
Glu-Pro-Ser	137262	238873	201469	139018	164416	193641	125090	155643	144149	161651	187528	190793	134354	136867	194158	163615	180912	189295	179150	131250	246649	160883	177049	174067	149659	199684	280283	270994	151232	201469	300681	318089	376503	422187	245834	274055	367065	336796	413773	399759	292586	304988	167334	160518	136554	143992	179738	175417	215419	172384	183844	176866	184459	128384	141459	136898	203664	0	0	0	0	0	0	207855	208207	224646	194591	199459	249158
Glu-Pro-Thr	399690	483261	384254	423071	317387	404234	380974	317460	359033	541196	231436	563631	487727	448620	493174	403253	420412	440680	340494	382282	410646	354066	436850	531237	458359	399947	505804	517476	346744	347055	405843	465536	550527	515185	480298	485975	428037	414717	479703	536449	441050	497869	458736	277333	383456	483555	444702	399721	501011	428959	406991	471934	413223	559410	492609	460013	342419	0	0	0	0	0	0	410496	451177	427818	452944	648322	401070
Glu-Pro-Tyr	14600000	13300000	13400000	12600000	12800000	13600000	13600000	14500000	12500000	13600000	12500000	12900000	13100000	13400000	12300000	12900000	13000000	14600000	11800000	10200000	10200000	12500000	12800000	12400000	11000000	10800000	9327624	8431999	12200000	10200000	5622383	6371578	6845826	5844825	11000000	11600000	4382394	4060841	5093917	6333474	11600000	11800000	14000000	14900000	14000000	13000000	13900000	13900000	13900000	14100000	13800000	13800000	13100000	14500000	14000000	14500000	13200000	0	0	0	0	0	0	12000000	11800000	10700000	10300000	10200000	10400000
Glu-Ser-Tyr	1288187	1220687	1164253	1195632	1311398	1302839	1141100	1298445	1075538	1189116	1270982	1561701	1206050	1355117	1449545	1128957	1271656	1282270	1192128	1187871	1055638	1238741	1207119	1113756	1643758	1237028	1027397	1235943	1319211	1130537	1077324	1127279	1377137	1037263	1147815	1056016	1088237	1247437	1353037	1133212	1446411	1273345	1335444	1256779	1631220	1189338	1492072	1370863	1307812	1422058	1273326	1220378	1183026	1343121	1126282	1508764	1354389	0	0	0	0	0	0	1275040	1516921	1164706	1330734	1210096	1450994
glutathione-sulfite	123341	131975	123356	124261	123651	123103	148145	153629	114994	130398	123650	114916	146033	131367	127419	131122	110489	100297	99898	93937	104991	122291	125259	108951	77957	82098	36520	51162	129957	155457	36232	41275	0	14774	107795	134109	32503	39076	11614	12690	98637	92143	131861	171136	143032	97939	55621	79175	120384	73341	142562	82888	119373	63407	110864	67721	105559	0	0	0	0	0	0	192240	211057	206482	223352	197580	202955
Glu-Thr-Pro-His	158982	160004	154745	182699	201181	185008	158491	153492	160705	150363	194147	173879	170367	170121	159517	171288	213344	201850	132610	146164	194899	171774	200201	225081	179674	204082	202332	181223	191856	183100	115934	157146	170584	183820	160665	222838	177176	194238	197741	192070	188267	253535	148945	159068	163740	194574	198745	181001	191194	189237	170399	217148	189120	214637	196060	236753	222961	0	0	0	0	0	0	347288	374369	481856	419853	395275	420385
Glu-Thr-Thr-Thr	460805	483484	492889	493428	548861	495588	456939	457628	517487	510394	530576	465090	501632	499104	503492	423611	503876	453944	601429	439161	447562	507495	544465	486898	490228	418605	492387	484586	462188	567837	545693	452599	469275	465214	560314	487473	523844	548165	473838	498894	493978	447465	503736	516476	456913	625838	570286	554133	451476	538374	466904	565370	485187	559837	545912	541824	524762	0	0	0	0	0	0	522245	434081	458517	504456	561125	644144
Glu-Thr-Tyr	1350615	1426824	1574158	1300830	1172987	1482565	1241301	1301343	1212833	1265979	1377602	1457674	1425908	1141320	1175930	1089350	1142615	1304104	1169685	1322814	1262316	1176695	1390073	1572789	1328835	1636509	1561584	1139190	1292569	1176953	780239	1228660	1124950	1358422	1455094	1129918	856856	808365	1112134	1125337	1456906	1322122	1403718	1473273	1336102	1234235	1369216	1499010	1347902	1421524	1217215	1241934	1378285	1412547	1326986	1418560	1179678	0	0	0	0	0	0	1245736	1260467	1147593	1472795	1236077	1374021
Glu-Trp-Arg-His	123659	127947	0	0	0	100192	153597	137848	71873	74832	0	0	168957	113770	0	0	0	0	168995	147937	0	0	77424	0	188471	136579	0	0	0	93056	161142	136294	0	82720	0	0	178391	109385	0	0	0	0	102556	201902	111481	86209	0	0	81798	0	0	0	72638	0	107165	0	0	0	0	0	0	0	0	104594	100609	93829	90241	121446	86790
Glu-Tyr-Tyr	2307014	1901798	2019606	2184971	2121519	2234325	2013008	2031304	2159588	2373254	2051919	2395919	1905600	1973023	2310385	2425837	2298821	2348661	1840101	1634917	2003679	2368201	2190058	2315761	1664925	1631351	1433329	1479622	1823795	1609651	691775	889083	859758	923759	1425819	1379681	391843	502593	578604	725550	1257871	1229223	1888927	1971278	1920149	2184150	1946068	1990272	2016793	1814159	2309634	1970888	2151219	1951295	1873883	1901200	2258847	0	0	0	0	0	0	1731724	1763047	1657428	1732154	1638938	1734942
Glycerone phosphate	0	0	459669	417759	450927	487624	0	0	190459	117929	116281	82270	33519	36136	99826	0	0	0	93618	100964	184590	154095	0	0	122657	135595	244125	203253	75140	81378	137615	161024	217850	218301	53640	95949	205728	202497	251165	330772	89386	125938	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	187333	200488	144828	143661	126837	156466
Glycerophosphoglycerol	1073898	1155998	816936	860965	859197	853621	1816434	1990990	673101	779994	678165	676119	2171853	2096756	776542	638492	689349	660435	1939849	1847388	1655772	1624930	1031399	797182	2072900	1867615	1791968	1607796	2177867	1566310	1949402	2118721	1854665	1821900	1639231	1873141	1953425	1996034	1946504	1936293	1767319	2020960	841297	1044580	775955	588925	904605	910834	816323	789646	652575	721927	604491	752757	717576	716179	654201	0	0	0	0	0	0	1611283	1523781	1498130	1401605	1441122	1429945
glycerophosphoserine	193315	191621	176911	193393	217153	201165	89324	96238	232966	221126	178035	255233	37385	60256	224227	208905	191463	260189	41813	0	97670	109562	182569	210738	0	0	0	52271	68772	82540	0	0	0	0	0	0	0	0	0	0	0	0	162023	206428	214323	211359	195779	180525	205489	177096	218331	171754	184748	221754	192455	199886	245721	0	0	0	0	0	0	90127	108922	99313	116749	104976	123695
Gly-Ser	3412282	2922297	2834988	3132081	3126721	3441003	3530362	3085018	3288041	3965621	3408833	3541881	3272099	3275975	3459493	3656307	3416048	3980722	3251970	2649797	3423275	4074862	3103835	3839697	3100242	3008893	3336794	2848091	3012514	2501261	2922595	2658436	2875251	2571782	2881072	2625049	3063125	2734297	3046587	2970976	2852037	3067953	3125707	3251510	2956340	3403012	3153235	3430028	2746487	3232802	3877043	2806205	3275174	3119973	2757993	3274491	3503131	0	0	0	0	0	0	3080736	3345670	3374018	3243956	3109173	3399009
Guanine	3796588	4059395	2428611	2442537	2631986	2734265	891926	893832	1314675	1298758	1158460	1430032	114985	111304	1074241	302462	96214	138482	0	0	224570	534573	144948	0	0	0	0	97864	0	113016	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	755819	789756	817434	767111	787143	711079
Guanosine	315646	451271	490194	527209	436868	476729	189135	169367	327237	323707	243909	393970	0	0	205817	183419	246196	202303	0	0	0	0	168970	328661	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	472448	325852	504305	535540	490266	470329	658446	482723	486338	428870	412675	601704	547503	482659	456516	0	0	0	0	0	0	174582	133967	189641	188533	162424	212777
Guanosine 3'-phosphate	378683	424806	353847	392074	404511	361813	431829	444592	384530	396684	425215	426332	463345	465142	335334	340730	397434	438647	452795	442359	378724	371012	366363	384637	493453	514071	445296	392279	389390	334870	534682	516629	389813	379131	375303	377153	532730	493014	476701	426991	446160	392683	456071	513258	422523	326881	368534	394211	347594	392610	461045	399150	403235	423240	356327	383761	346041	0	0	0	0	0	0	443777	450897	482744	435051	429770	495059
GYKI 52895	198488	175818	168115	127030	195768	204066	152774	164595	143775	185271	195029	190115	158042	159117	139612	159771	152615	189698	138875	162008	184989	176908	213516	182283	150181	177094	172218	160551	198074	166313	127987	113371	133275	170637	144930	177462	127480	125108	130590	139055	149379	135481	231016	224049	171655	171048	154410	150707	182894	181204	170654	159561	147107	200337	193703	136939	161945	0	0	0	0	0	0	172418	159966	185212	153741	156560	143767
H2S2O3	2622300	3022321	2423796	1419403	2572293	2424277	1706484	2836508	3256753	3153481	3277241	4278726	1829280	2502090	3772563	1393355	3084970	3785373	1821223	2178574	4163727	4277621	1751852	2030008	1788068	1982918	5704453	4030891	3877339	2619349	2283104	1674675	5938978	3969001	3380909	2661212	1257964	1548364	6053951	5942106	3201877	3799747	2940482	1715034	2397492	3711232	4825496	4218169	3043052	3932060	3240872	3755136	2890604	4456605	2686782	3572155	3770781	6563	6552	5173	0	0	0	3149713	3836805	3596555	4045352	3982490	3363362
Hexose phosphate	926818	1066218	970079	905669	1025680	985449	1069249	1027020	965190	930251	984304	1034661	990598	1031606	996477	945938	960610	820093	1022871	933331	1159170	1308630	802244	957243	1179500	1018034	1316318	1178405	1153935	980732	1055367	1138895	1007907	952458	956785	1083829	1015429	1050821	1201171	1138922	1071898	1123696	880010	1060168	878449	796912	828545	944691	778639	978168	1010602	847609	829612	995938	923284	919812	892358	0	0	0	0	0	0	1025737	1121771	1018283	1008958	1011743	1100694
His-Lys-Met-Met	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	165331	159929	145387	157896	190434	158193
His-Lys-Trp-Pro	15888	73305	108465	124362	118625	106348	0	0	108023	117861	150825	109992	0	0	101836	118734	145044	104162	0	0	0	0	123366	107125	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	108546	91160	95250	97097	120541	104336	118548	100867	120623	122406	111664	117408	100777	104964	98597	0	0	0	0	0	0	71027	81057	88936	99725	93833	76744
His-Met-Trp-Pro	370811	312876	281473	270859	308275	312289	333664	371991	187011	309237	436292	284719	373086	338516	244708	266212	304681	364409	386879	304250	299394	312389	311094	306854	426160	375107	429086	387768	387768	329369	399809	356298	374023	276607	364326	243732	418327	329143	422158	336883	330866	410265	355100	407826	412037	298233	335097	359263	250143	458001	283740	328252	287214	367391	238513	303965	390178	0	0	0	0	0	0	355503	344263	319076	322735	276926	365344
His-Met-Trp-Val	90607	136913	97669	98053	141040	136526	0	57853	101480	138597	132164	122781	0	0	99382	105731	105906	150427	0	0	63254	101607	117766	115703	0	0	0	0	100383	99797	0	0	0	0	60446	56804	0	0	0	0	67546	62708	108029	101141	88664	79050	136729	150631	115379	156793	126645	151104	104892	166849	124313	166990	128714	0	0	0	0	0	0	77610	98353	101582	147441	93937	89568
Histidylprolinediketopiperazine	2382361	2444156	2360291	2524317	2235839	2403569	2497609	2477170	2235142	2363758	2235530	2367442	2485235	2392049	2166828	2200283	2301831	2372596	2452899	2511898	2387279	2438682	2401971	2195529	2830722	2581357	2588314	2269479	2411027	2196523	2799144	2653309	2862598	2722074	2682237	2312700	3210272	2737888	3008981	2734998	2537143	2608703	2371391	2498890	2294512	2345654	2539063	2371427	2364860	2353880	2460113	2269107	2340127	2264787	2153517	2534564	2429285	0	0	8245	0	0	0	2392081	2457137	2461014	2583786	2554855	2756689
Hordatine B	225473	217946	214863	216277	308967	256745	263574	227309	245586	213383	250145	192689	242185	236466	191288	202560	202618	207702	207388	211859	179477	230069	224977	199574	279988	226473	281161	231826	254622	216475	207466	275461	225527	227265	236312	299625	230470	191751	184555	206133	217401	234392	234040	251873	259449	219127	193451	230421	257021	226820	197881	266437	258310	237221	219291	243591	245781	0	0	0	0	0	0	220098	228913	237539	228587	229944	252392
Hymexazol O-glucoside_1	1210882	1325220	1222856	1226128	1350789	1275149	1258427	1207856	1327079	1351250	1310183	1557317	1280201	1154231	1359102	1420957	1518936	1471992	1395091	1104652	1340010	1493109	1484335	1568127	1238904	1235964	1178897	1118934	1117815	1136916	1185855	1238145	1193342	1001412	1024921	1157574	1344382	1288825	1113738	1096869	1052414	1083182	1167509	1208610	1042865	1493229	1099624	1170327	1140508	1308703	1474063	1051351	1340020	1118370	1056435	1154646	1643869	0	0	0	0	0	0	1253630	1117011	1331589	1249696	1238625	1336110
Hymexazol O-glucoside_2	2372338	1962512	2154288	2016105	2119419	2117681	2594840	2303900	2177050	2643344	2358827	2385050	2528362	2199322	2344741	2399847	2298324	2273312	2365791	2013502	2297903	2543171	2220025	2176477	2535077	2085431	1711452	1736858	1699827	1872185	2644481	2258974	1544752	1917770	1454528	2041307	2642209	2096021	1712054	1702313	1722829	1833075	2233535	2419591	2039843	2207211	1682247	1833006	1808839	1548528	2470097	1745568	2269299	1699003	1888483	1723726	2378073	0	0	0	0	0	0	2224161	2058810	2177545	2147563	2096980	2268202
Hymexazol O-glucoside	1252881	1190213	1137356	1189603	1127048	1232651	1166547	1379893	1267879	1393217	1161611	1322769	1606743	1081130	1419817	1335705	710715	1235667	1541937	1178847	1406699	1368448	1077688	1254719	1399342	1058433	1078037	1112174	858054	891479	1176744	1137636	842714	904247	782433	1134812	1268660	1210601	875860	987490	1094136	854164	986117	1139153	1037512	1239560	937739	893296	1193151	867507	1307194	901964	1320366	900574	1050574	831583	1377417	0	0	0	0	0	0	1215814	924650	1430701	1199849	1106636	1187374
Hymexazol N-glucoside	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	103410	98616	93705	96706	103396	91505
Icaritin 3-rhamnoside	0	0	359852	336301	550351	630301	0	0	393643	416524	541326	674868	0	0	408140	359884	634267	640589	0	0	488712	310137	502532	520636	0	0	498098	522969	751159	516132	0	0	426436	429282	598530	647485	0	0	426755	462531	713885	553515	0	0	0	336074	442653	389531	345039	449234	430493	744426	733863	713907	647245	916833	605425	0	0	0	0	0	0	306063	339151	325722	341996	344438	380446
Ile-Arg-Lys	652942	600016	635774	643779	644047	647127	132589	143667	656650	679473	636037	700379	62509	62746	672988	642053	627833	693725	38794	38879	198752	311974	620897	670111	30451	35734	69899	85198	234864	232797	20341	24188	19384	19519	77724	90042	15567	18875	16544	14516	49518	42880	625999	701561	579977	695295	663573	625606	592536	635134	757439	587608	631555	589426	540054	608567	688632	0	0	0	0	0	0	373427	399504	411274	380210	365759	354903
Ile-Arg-Ser	853143	938233	828389	838337	843710	769392	403807	515684	766614	746315	879573	761150	0	188841	684810	841269	777218	694652	0	0	375972	512742	786490	657188	0	0	264626	259007	503397	493087	0	0	0	0	340631	346206	0	0	0	0	223012	295632	878213	815023	820300	695178	878213	966772	762394	940687	827203	807911	805570	1006057	817506	889401	827668	0	0	0	0	0	0	536637	431346	438517	437207	383238	455102
Ile-Glu-Glu-Glu	440298	445930	410454	491297	576227	510047	548283	559681	480647	506988	481353	603471	605860	746806	422950	569275	567092	575723	736410	743640	528970	592305	563265	572935	724246	818480	607932	533468	620355	481289	788761	834907	757433	739308	622470	610379	819362	924115	787821	741080	665848	650048	462772	543091	420938	391718	483950	453478	491434	506736	484021	518188	538824	567719	464093	586149	566511	0	0	0	0	0	0	1184789	1203704	1301278	1254040	1231979	1282605
Ile-Ile-Met	1611631	1454061	1599704	1748335	1564381	1663242	1497248	1414619	1723293	1771275	1736162	1813972	1177662	1547846	1619459	1629674	1812930	1791646	959675	989191	1254939	1383295	1487642	1797332	715975	734440	836950	734705	1136670	1011106	0	292856	305535	363535	591716	591567	0	0	240096	265918	562041	558840	1565894	1772003	1527758	1937765	1825482	1699925	1665970	1748391	2092208	1595714	1664324	1743265	1613988	1631045	2014103	0	0	0	0	0	0	1135505	1069695	1184576	1000210	970526	1048474
Ile-Lys-Lys	3302030	3145880	3173812	3282608	3171862	3243400	2983707	3199549	3356366	3467184	3169315	3418223	3125728	3097454	3463321	3280638	3169171	3511475	2748851	2409529	3052730	3181051	3079234	3333439	2367806	2534547	2072072	1958756	2336348	2111082	1528213	1666953	918602	1040119	1573701	1718096	1112209	1278414	750229	839041	1374549	1340437	3147852	3537911	3077467	3413080	3179582	3119913	3026045	3004845	3771237	2917243	3204405	3018796	2862576	3014784	3448007	7542	10181	13891	0	0	16798	3378185	3533459	3495262	3461096	3393336	3252949
Ile-Met-Met-Met	436653	330277	326093	349905	320884	388466	428431	418453	376656	356139	363578	398147	360255	439078	309755	280881	384494	325908	388067	397456	416496	342809	326883	352479	425648	517236	481938	411734	483657	287495	480907	538383	484533	342906	425828	321739	489240	443200	497544	451985	393101	518834	412317	345581	363983	287217	401270	334808	352261	350738	331173	316261	349407	382031	259937	244918	259320	0	0	0	0	0	0	453215	369776	396556	421485	388395	327784
Ile-Thr-Thr-Ser	467415	432772	410876	476231	394273	399663	420428	425551	410733	451681	458834	439867	393310	432229	435867	381265	375610	474946	412309	413154	466482	416025	405443	414449	392453	471439	463608	409285	469458	417029	398998	507939	489136	346754	436488	401879	396719	482014	503281	417031	496226	417454	437174	481880	419360	393975	458282	505285	397666	531375	560761	420293	429578	418234	378982	477948	435328	0	0	0	0	0	0	448182	412930	365729	496988	384998	453765
Ile-Val-Val-Pro	1304238	1289166	1361474	1034618	934104	923905	1300535	1236952	1362466	1556044	1027932	972702	1154196	1177801	1718699	1640234	1110149	1031239	1072999	969530	1216098	1235139	1065408	1071883	754052	920261	795696	744952	738928	469978	206282	275958	364384	437492	514497	412618	132676	129329	219986	227339	475445	473054	1245306	1292444	1335167	1575220	1130566	1105953	1103251	1136106	1351083	838500	1045553	841492	778672	766043	1085319	0	0	0	0	0	0	970231	1141623	1024514	804463	651498	516290
Indicaxanthin	499030	352109	361875	403507	420858	400339	427086	417506	309672	432400	375606	336380	460667	461156	251208	348701	350352	351498	452875	422902	313368	390846	407667	335403	478833	473016	520680	391265	471491	350023	414347	482905	421355	341251	457079	349841	380980	437620	419256	372249	411456	450613	375003	424522	388549	313739	409178	392099	332143	424694	419270	381826	388655	467859	371658	388874	327027	0	0	0	0	0	0	379053	379371	298196	329024	381915	462891
Indole-3-acetyl-beta-1-D-glucose	504654	408871	474722	525016	493788	482330	435119	468152	468496	499004	446339	522601	415207	517870	496548	546676	517919	535973	452330	392330	547073	544310	487079	472264	449128	463479	362063	387318	397150	392946	508722	483857	403162	481301	410062	340839	469167	416917	461102	401740	443214	470074	443405	483935	396684	452566	422680	434666	455600	459481	516174	451832	449019	369663	477002	454587	507074	0	0	0	0	0	0	491157	400572	446127	453520	444061	557468
Indole-3-acetyl-myo-inositol	657022	466787	520126	464364	493788	504636	491373	468152	468496	549543	453860	541758	494971	429671	527356	523541	517919	563372	560881	454972	547073	661209	585488	584347	570007	463479	488344	454760	578447	366264	496590	543539	451915	426771	410062	378771	469167	510736	461102	468995	443214	519194	489452	511904	491750	468880	440863	516646	455600	459481	626582	451832	555106	406586	477002	454587	507074	0	0	0	0	0	0	491157	567828	489760	449243	529119	557468
Isoclavulanic acid	65777	49575	82538	59128	0	0	31690	41110	76302	66256	0	62297	34500	41227	70709	0	0	51500	43592	42635	72346	79407	61562	0	56080	47281	42141	51408	39751	72529	44725	47205	41365	61486	49484	61777	38045	42553	44008	64018	0	60175	69689	49488	32843	82622	60632	55931	67464	73798	52647	56618	53711	59484	0	69838	0	0	0	0	0	0	0	109295	141366	113858	108111	144086	99165
Isopnetenyladenosine-5'-diphosphate	321744	313322	318436	213394	236294	241911	409198	316160	235701	333064	238982	269542	317015	291871	207771	278111	267753	236264	343757	267372	265135	291726	215776	210058	260718	305688	269843	221585	238439	204204	251859	257284	250332	232106	245217	201285	213973	304226	259225	222224	223358	247654	304836	445209	297587	329093	297070	357502	230532	258171	223345	278512	213173	240676	187511	255757	211062	0	0	0	0	0	0	0	0	0	0	0	0
L-2,3-Dihydrodipicolinate	116915	94361	121994	130760	112382	104461	82639	94676	132702	131130	127573	191022	107234	154798	122016	118678	139405	139375	101783	83305	153273	152512	115309	149591	86326	97292	117507	110506	120492	96679	105328	86047	113490	111181	115843	131905	108831	91131	108308	128238	137317	114936	99825	98885	106988	113407	88818	117201	109508	136435	119231	114314	146596	107004	99120	122318	118295	0	0	0	0	0	0	134508	117312	116871	138299	115970	109157
L-5-methylhydantoin	0	0	0	0	0	57944	0	0	0	0	54371	46446	0	0	0	0	0	68512	0	0	0	50567	0	0	0	0	0	62048	46897	40550	0	0	0	0	0	0	0	0	0	59137	0	0	0	0	0	0	0	0	0	0	56716	0	0	0	42802	57846	56126	0	0	0	0	0	0	111302	87887	66390	112397	123952	111346
L-Cysteate	200678	160796	166658	228573	187594	210893	258361	220717	162250	158047	161769	180058	279873	227833	155634	141580	174445	172141	223865	209177	196907	161536	154805	168150	221088	165587	199347	162399	213079	211298	228807	231089	260011	195582	327135	198163	297883	275483	256670	200719	271035	260398	157134	223362	216609	186932	134523	173374	175912	146827	147762	146537	166742	149355	156964	173873	161994	0	0	0	0	0	0	194449	213980	200930	215952	230336	216229
Leu-Asp-Asp	819685	799337	853176	758806	872203	1044377	912190	885854	871246	868125	751682	911733	1091312	952469	860504	965977	881774	961697	895303	966624	884979	936855	834977	939192	967015	1084468	979745	999608	1000914	795566	1457158	1325597	1286308	1248250	876149	1058897	1633103	1688882	1510373	1367815	1062712	1241872	771005	925367	818536	876683	784602	805335	889725	819050	921090	806496	777416	933775	877446	782011	897846	0	0	0	0	0	0	1019334	1035013	1041623	1141599	1114011	1011947
Leu-Met-Gly	7185557	6917131	5167201	5072639	4866338	4636672	9927507	7017499	4633142	4274504	4728309	3933559	10900000	7970809	5417464	4029542	4557309	3564419	10100000	6506352	4790419	4537446	4698172	3659487	10200000	7385724	2494074	4672523	2787803	5670201	7773085	6281620	1677876	4558081	2223864	5592347	7279369	5360596	1843059	2051697	2424358	2202648	5361770	11200000	7796309	5040469	2270291	2526627	5301066	2662443	4359661	2506315	4594115	2374509	5652544	2750605	3470968	0	0	0	0	0	0	5701845	5381401	5501642	5717246	5511270	5951276
L-gamma-Glutamyl-L-hypoglycin	1323639	1210389	1033237	1187348	1038292	961546	1454745	1270800	1111484	914580	1027312	931573	1580348	1411169	1082314	981254	1010660	940999	1456768	1246931	1072425	874839	974022	802664	1671684	1710413	606469	1183245	632475	1378031	1727928	1409690	635488	1281420	534407	1326926	1818988	1672896	642940	783831	726418	798128	1117875	1821150	1512161	1045654	571399	640707	1178961	593716	1163283	744816	1067414	585504	1214039	807409	775512	0	0	0	0	0	0	1204621	1101427	1208709	1151407	1254481	1521455
L-Rhamnulose	264221	107141	0	124266	173351	130517	140473	127996	129823	285629	230022	107846	267794	188747	0	0	0	0	208899	290444	0	542717	148627	827888	0	170262	0	126751	128067	126440	466594	416269	309917	254123	227628	259582	626714	188967	340470	290624	204229	188515	121195	486129	556372	266335	412854	510434	915976	540666	496626	566275	164707	746797	870982	710519	897439	0	0	0	0	0	0	217377	266183	198244	239688	309802	228065
Lys-Ala-Pro	94280	83478	93809	88961	93292	105316	106855	98480	116504	112050	137985	157818	155199	102131	141383	137780	125346	117066	199578	156421	142109	119318	88042	111780	327534	347243	456364	350662	235834	161287	594168	639674	680439	625235	419970	336330	596620	692524	714540	754890	530317	560252	139791	103613	81279	140480	73150	107487	74564	63518	100659	96526	147422	93004	88049	90683	118488	0	0	0	0	0	0	298278	247793	285760	324829	248183	269189
Lys-Arg	128944	121890	120201	127941	127043	135424	27889	30769	109599	104354	103889	111231	13328	18379	91525	103690	102933	95718	0	5853	25623	57196	92226	101772	0	6581	15828	13723	21390	29469	0	0	0	7352	9132	15981	0	0	6576	6655	8545	11961	130619	144292	138808	119568	146631	128576	131201	129084	133977	140952	114092	135855	121940	142006	133889	0	0	0	0	0	0	53935	65460	57300	55772	54980	49397
Lys-Gly	465695	574406	539088	518980	609452	580560	431738	484723	497498	529230	588971	604345	434054	439801	491742	492230	544813	609527	356521	329581	359563	426549	524974	508686	365842	379550	377683	307065	444160	452323	315962	296967	314891	257268	444090	329718	282585	315989	318462	370262	336143	401628	469388	512081	479040	465075	585833	545980	653379	620105	621269	639103	529230	633641	579542	617562	663148	0	0	0	0	0	0	532920	569653	612727	510581	601120	625042
Lys-Lys-Gly	123113	124593	107862	116514	104979	112000	114774	125875	121779	120056	109757	127901	122560	117974	114129	115140	112295	113810	115873	94527	107714	103148	114112	104051	105764	107009	89617	85009	93065	80415	88181	95980	61986	63204	69910	77596	68027	73229	59641	42085	72372	76354	113165	136755	115754	124508	122238	123116	113979	103728	135840	96790	103973	105566	100278	98934	111335	0	0	0	0	0	0	125409	137239	139608	148547	139087	118506
Lys-Lys-Thr	872017	818084	782666	802521	771968	810012	758411	815546	787500	799357	703546	768956	775021	787330	903981	854218	830772	859394	773939	645416	835090	872818	858202	880242	708944	715684	579955	562832	680343	633654	597030	654751	386634	416307	534596	559221	516857	544211	394046	366444	499790	512961	815182	861146	782543	941076	807206	777917	737673	764881	1003762	731059	814928	777265	714403	738439	907042	0	10044	8073	0	0	8711	1064565	1137747	1127953	1122417	1034318	989394
Lys-Lys-Tyr	608916	588725	624096	625034	619005	617072	560361	593401	630379	648602	612163	692935	540167	564354	665423	679945	690819	659462	468582	442563	553523	635617	625629	621880	396248	415359	337962	335761	422276	379044	220544	242569	127904	146957	258571	265003	153944	174397	102938	118599	200419	211604	598343	664108	573480	653142	640457	620619	590684	627074	718286	557108	632373	624411	573400	558071	628772	0	0	0	0	0	0	477204	526486	497077	519920	524192	476632
Lysosomal-enzyme N-acetyl-D-glucosaminyl-phospho-D-mannose	100557	92392	85590	94822	91753	114000	101697	103654	96280	87987	101800	109901	119918	105274	86570	97652	99786	97330	117779	105405	92528	89255	148869	74102	108946	99117	96019	91601	93028	83338	112089	113991	96904	112323	105094	78579	95612	90258	137495	114817	118096	115078	101203	138269	96288	84906	112973	97815	98071	102253	116815	129101	101591	94831	96666	114906	106326	0	0	0	0	0	0	83822	91698	118196	104596	88317	135609
Lys-Phe-Val	365854	343567	374448	412240	370573	380147	374370	375179	378455	393271	369395	361481	300295	375589	475435	463716	421267	457629	315796	257679	368777	421662	363231	397067	229570	219154	201554	262715	283699	292447	0	0	0	0	201706	214659	0	0	0	0	128954	184279	358594	407995	319874	400574	390061	358032	317778	401111	349687	397147	369327	266263	424370	341374	415378	0	0	0	0	0	0	309573	307213	277411	320312	316050	317731
Lys-Pro-Pro	265603	232482	154113	264945	252611	319885	245091	249698	190644	269289	266283	258049	228013	259025	241164	242774	313079	258736	296994	221392	217217	276901	245299	267358	297975	259328	265351	258913	267258	230699	393694	308826	367523	337369	253928	234681	364608	342587	388984	295549	257829	245951	211131	270671	200207	205658	279382	261399	205620	235802	300539	264638	264206	275014	194997	233402	263277	0	0	0	0	0	0	516630	518965	516048	467549	525085	490394
Lys-Pro-Pro-Pro	420008	356027	387456	360528	369238	381585	355285	378912	412022	393238	376902	407372	324063	345460	415497	382714	377168	429173	290684	269017	338847	379625	362830	391768	226545	227405	192443	169337	236852	224694	116351	135867	59861	73349	144545	138544	75825	86748	50223	51836	100714	115142	350141	398669	359104	409637	377532	371195	346924	356348	425805	346884	364146	363104	329047	334506	399188	0	0	0	0	0	0	358593	345449	371949	354751	350154	328918
Lys-Thr-Thr	98458	106078	110066	107211	118064	139433	112235	97363	107788	132704	115112	118873	95054	113183	115857	144834	143969	134071	115455	105098	148086	116642	133441	144586	110692	115902	111244	108242	107667	97443	121849	111326	93445	95035	110075	109762	96153	103681	99933	90461	108460	116869	124471	144765	127330	143303	102771	106280	117210	122115	159175	99805	124241	137050	93945	100976	135043	0	0	0	0	0	0	132320	106290	104636	102222	137337	128428
Lys-Val-Arg	218091	197616	205718	215950	217246	203451	186616	196976	230103	237618	215231	231918	193290	206002	237107	238189	210751	226111	185238	163961	221006	230082	242604	232119	169978	171800	164060	159614	181019	158921	133692	139552	101659	110371	136819	141961	98627	102300	99024	97161	135612	134256	208134	223481	204563	240246	208269	194964	198944	193150	239293	179483	209504	192731	181142	189672	234977	0	0	0	0	0	0	224370	253700	255856	240641	246894	234464
maltononaose	182172	190552	159226	166687	190657	189394	156219	169772	205448	168742	142714	149935	196406	170864	208890	167770	134651	261421	168452	154589	156739	135101	142519	197065	202182	170769	183522	179657	232686	188237	153831	176154	181687	160097	154472	186303	130287	189968	149277	192012	183262	212099	216241	172443	211447	199347	178590	158006	153913	155578	182917	155455	172237	205506	177830	201134	239934	0	0	0	0	0	0	295181	278502	270181	240331	260571	235757
Medicagol	184483	150972	89929	126594	184326	183648	118463	133094	0	138018	192916	213813	126606	124414	0	129032	177146	170356	125129	84257	0	121136	207835	183036	93767	95584	120198	89183	213296	122326	0	81131	126609	81615	181451	104796	84848	57673	186294	232559	242146	242864	200001	174428	101933	0	176632	227443	109516	305860	143884	274222	175051	200021	116547	306458	164540	0	0	0	0	0	0	130105	125646	121688	124115	147529	147722
melibionate	504667	631500	565210	555590	585884	560023	529445	580684	586513	526943	606798	495399	602203	615384	511666	518322	557262	524471	605273	547726	544405	525700	553224	459049	633640	615676	479757	636913	462825	562602	606211	662217	479659	564984	427589	721324	581521	711757	497665	615466	485748	464605	511982	760568	559716	522521	414747	399101	600338	482503	552180	552465	519004	454449	621404	540609	454724	0	0	0	0	0	0	694622	672694	694005	711136	698378	673115
meso-Tartaric acid	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	92047	98329	117171	101873	80695	104170
Met-Gly_1	1467919	1531089	1681149	1641876	1428122	1426719	1568145	1403072	1514627	1786592	1438548	1460932	1412531	1571215	1499309	1394684	1295391	1508963	1080248	1659877	1457682	1668107	1435347	1299549	1472209	1773754	1513858	1488081	1564994	1308590	847579	1170261	1240780	1154924	1758451	1097269	642156	988999	1187757	1163791	1562317	1301878	1382804	1434723	1364318	1648491	1664386	1889295	1638618	1375616	1823807	1807722	1274432	2042798	1347345	1777270	1532419	0	0	0	0	0	0	1555239	1654311	1295449	1263027	1143343	1835659
Met-Gly	2454954	2184090	1707943	1620679	1667712	1554686	2916749	2259724	1577133	1474346	1491661	1228713	3026621	2224183	1716350	1294220	1513819	1278657	3095959	2106547	1700850	1432910	1405596	1333675	3233989	2455277	869574	1530670	891512	1698246	3295561	2479632	809141	1607052	832361	1878202	3648859	2621646	796508	1021165	915288	1027029	1731861	3423205	2333316	1701390	941519	915266	1787414	923221	1501665	919474	1441080	871967	1739739	938693	1190343	0	0	0	0	0	0	2037649	1961549	2002938	2169083	2056001	2084805
Met-Gly-Tyr	1893043	1895027	1254181	1544327	1440102	1646398	1825654	1624714	1341546	1348048	1513871	1332908	1859689	1549023	1563874	1386146	1312585	1359594	1721434	1597631	783658	1508092	1517927	1576468	1946627	1772136	1642601	539153	1713730	1507804	1874418	779998	1712362	1515585	1483562	1487792	1695013	530981	1676880	1571235	1516966	1529614	1677539	1900119	1695294	1531553	1705390	1843380	1513743	1617800	1707848	1616228	1571997	1608752	1450640	1788996	1427963	0	0	0	0	0	0	1609389	1662812	1483865	1412826	1526687	1424353
methyl 8-[3,5-epidioxy-2-(3-hydroperoxy-1-pentenyl)-cyclopentyl]-octanoate	142667	96999	100866	97538	80249	117249	88322	114807	103324	117853	98601	113270	117688	117214	98240	87735	106690	128463	122381	83234	89734	67709	82780	96802	128078	152691	83024	132484	105022	90076	159445	119372	133247	81646	108066	109300	0	67657	102603	81574	84677	86816	170937	63696	112293	82580	67562	125244	80647	116821	102381	137955	88676	80385	76055	119156	85980	0	0	0	0	0	0	96786	121187	108532	112353	113511	123991
Met-Met-Val-Tyr	278545	319430	315655	251419	321768	297677	405063	339536	255262	347684	265965	309658	458994	394304	226720	248379	298032	245285	609641	428581	286121	319013	288246	247004	459109	434670	451047	419893	395163	345591	605058	644212	566363	484621	429310	349519	697518	726793	548976	548707	494720	513031	384083	306271	244739	227536	405639	265171	260383	252660	271259	307145	252589	316188	257671	293599	268440	0	0	0	0	0	0	369882	349138	462662	439266	369980	401332
Met-Phe-Val	221384	201256	190018	172163	132348	130753	195367	205776	220395	240310	189977	146443	192964	179012	253420	198867	186262	133651	144145	155322	212608	163109	181158	198610	125678	133534	164856	134569	128167	71076	66653	101397	88205	81315	83111	62028	0	75768	60969	50687	118777	57606	214370	200199	157865	248001	195606	227166	145551	163631	226148	132252	154560	124516	128223	114308	170971	0	0	0	0	0	0	185463	134116	161364	122928	111688	43875
Met-Ser-Ser	249290	308508	212156	201247	197426	168464	420880	302360	204334	207649	182186	150854	332188	281941	200299	178904	257401	105981	384077	281334	201074	195241	189401	132508	352128	308041	106812	235043	118782	194630	285262	307052	79166	220830	108724	245562	340924	296845	135095	116243	150298	108481	219767	409163	306568	234558	84205	134790	203163	126837	199839	118066	157584	117043	219132	138988	140727	0	0	0	0	0	0	226308	237521	324840	207915	233308	212837
Met-Ser-Tyr	2037246	1832823	1390793	1613548	1168522	1577050	2402056	1926789	1267105	1488241	1554036	1706487	2193254	1642260	1585598	1645988	1586716	991424	2070618	1689179	2207294	1414483	1476483	1340183	2107072	1839653	1177627	1387649	0	1560850	1904793	1811803	0	1504156	0	1504478	2927538	1878372	794971	558292	0	0	2099571	2857347	1913827	1564758	0	811964	1451559	711584	1467123	0	1761355	0	1156197	870137	1346805	0	0	0	0	0	0	1728774	1915139	1507842	1633058	1537447	1950206
Met-Thr-Tyr-Tyr	257167	287346	280362	318032	389613	427616	341447	386727	329860	295156	336135	407631	325438	416391	300491	280963	346192	421084	347523	350532	329391	338385	336697	405382	357234	312447	332337	311833	407046	447212	286381	264635	342769	320592	472419	477785	249351	261322	365359	342400	439302	477915	377945	322876	338504	329881	333670	451127	374073	426550	391696	409988	335635	527642	376340	508243	473383	0	0	0	0	0	0	342562	310123	368817	321679	437036	583639
Met-Val-Tyr	21200000	14500000	9747079	8374738	8622454	8300890	20500000	15400000	7894064	8089656	7676046	8068163	19300000	14600000	8240048	7830979	7730519	8028085	15900000	13100000	7435254	8225243	7779727	8223260	17000000	8929634	6547467	6051569	8352348	7297179	11900000	11200000	4630612	5616992	7123295	7087262	15200000	9011196	4780766	5162400	7674592	7691942	13000000	21500000	17000000	13100000	9623398	8720391	9865870	7989322	7066531	8293119	7679261	8705238	8391094	8737996	7870105	0	0	0	0	0	0	9083305	8683940	8449253	8577185	8597351	8203156
Miotine	1547085	926788	1453627	852461	878546	1569035	1588513	796335	2264229	1530621	908393	831839	865986	1067730	902047	1514436	1398183	736951	883905	720349	878780	1672819	785129	1015137	963565	793123	1107417	768017	923068	626199	900683	771528	841534	785097	784922	1051385	859743	886067	843653	992098	842899	822406	1411984	1138703	1027803	1597059	1194751	1078057	1096761	791098	2141906	760538	1135002	1303151	751809	773044	1213581	0	0	0	0	0	0	769949	824530	1093686	1155451	1749826	900995
Miserotoxin	1284804	1450223	1096522	1094329	1147550	1145998	303981	247866	508771	523894	420004	448277	0	0	197428	219967	195298	216543	0	0	0	0	0	153592	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1176604	1324495	1154408	1136252	1098773	1161320	1322084	1103801	1042072	1219166	1071294	1128095	1290853	1278409	1133251	8371	0	0	0	0	0	288937	291022	307422	321508	356621	323790
Muramic acid	429533	349345	267267	332514	257879	272871	376066	441179	258158	291496	371021	246995	554801	461849	228887	254050	285060	282422	464383	487533	345740	303034	379197	248687	572239	471843	303529	376995	301335	384029	580533	523449	372051	482329	299643	408576	538660	510439	340571	424206	370498	356364	374603	502338	352444	213746	317262	228146	278132	200014	314432	307238	283597	224691	305793	245140	260827	0	0	0	0	0	9745	325584	271819	375293	336028	374445	379204
Myxochlin B	3007816	3464504	4330409	4632570	2900473	4558284	3182736	3346527	4525633	4647378	3335634	4541647	2368583	2800292	4028571	4744605	4167073	3937799	2174151	2106576	4239255	4989926	4017779	3936952	1756566	1794331	2284915	2555089	2897499	3484289	864645	1217150	1235608	1659107	1730046	3858951	666238	997498	1068376	1405923	1788700	2278909	2855299	3297787	3198385	4802903	3553689	3188988	3583249	3512202	4452861	3183585	3976607	3156112	2689137	3064463	4089479	0	0	0	0	0	0	2887901	3047411	2847481	3698116	3864137	2687303
N-(3-oxooctanoyl)-L-homoserine	1944415	1623031	1772997	1959989	2003854	1742061	2095187	1727751	1905513	2172342	1870152	1732736	1980188	1916116	1698933	1884241	1935960	1704674	1912235	1820714	2132438	1914314	2047085	1628027	2352764	1927596	1639048	1804114	1571665	1790492	2666358	2224115	1375991	1909360	1576179	2261376	2687113	2410026	1562420	1602721	1663169	1749904	1805843	2339249	1792726	1928470	1243707	1232258	1473773	1147526	1979865	1271924	2008286	1390332	2101506	1690410	1849345	0	0	0	0	0	0	1771098	2006457	1815157	2038909	2027149	2025832
N-(4-nitrophenyl)validamine	220245	249476	285609	293525	252742	296846	223940	202807	275220	300275	293153	293504	239768	199005	236282	280517	347308	269011	229397	184580	248894	291909	276543	312792	247040	255918	205438	253096	230996	231734	243757	254233	228422	277187	171496	195292	224854	289461	256184	227798	232158	168186	241293	197137	294376	317335	250468	190731	239093	193992	353948	231145	265209	229124	191185	183501	276256	0	0	0	0	0	0	298313	266269	204010	195814	265178	279074
N-(phosphonacetyl)-L-aspartate	678409	783991	701207	624261	605634	629042	745224	864190	535694	551666	540160	496743	765533	814982	538910	488232	645315	543882	661369	819286	496146	485426	607313	500155	713309	787407	694870	631134	881962	747256	709044	785012	609381	578303	906665	764913	686067	844702	646196	713261	932183	767686	796843	757776	762973	499907	817988	829372	747782	804697	564145	829949	553025	795898	856920	866206	545429	0	0	0	0	0	0	674462	627144	663629	644627	710793	726692
N1-(3,4-dihydroxybenzoyl)-N8,N'8-citryl-bis(spermidine)	132759	143104	219255	204735	167433	142582	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	224858	192173	196192	198704	216693	214329	167102	171255	212056	188335	165467	208592	165164	219692	211984	0	0	0	0	0	0	0	0	0	0	0	0
N5-formyl-N5-hydroxy-L-ornithine	3381472	3228906	4646148	3184072	3112406	3321270	3395235	4850450	3514611	3355749	3129732	3748488	3343845	4428053	3040467	3249616	3277132	3847597	3176227	3124935	3003705	3208167	3128985	4116006	3329805	3204917	2949453	2913626	2926262	2683488	3189847	2995338	2900830	2839675	2833065	2899900	3137413	2996903	2871902	2860014	2759665	3183647	3109577	3503274	3294501	4740370	4404354	5790299	3971413	4224994	4354187	3740777	3342311	4358561	3231794	3349145	4081387	0	0	0	0	0	0	3201809	3135037	3205519	3114814	3208264	3109595
N-Acetyl-aspartyl-glutamate	598193	542414	444933	501696	484369	506376	483418	505954	405756	525760	461168	468447	480381	492321	514997	492244	547083	507546	551564	494851	461551	574150	522800	529312	478905	603434	517621	500369	487050	474493	449396	528151	533642	436972	459846	433815	478503	485042	578060	476734	488512	457967	492559	543775	452534	487845	512488	557771	490754	556497	532909	482124	585148	509976	438255	501138	493168	0	0	0	0	0	0	558435	443590	548901	554769	460969	562305
N-Acetyl-L-tyrosine	1046682	1128485	835471	849573	912815	829300	1267471	1074023	723682	752913	870439	607813	1413374	1127734	809032	833145	747367	611729	1258149	1204035	868128	804848	794733	531794	1480875	1207750	522790	1162092	407392	941500	1781716	1517281	490574	1112885	478272	1158920	1587153	1366313	543343	509212	444176	513959	1018285	1564180	1004524	757000	366498	427973	904791	465689	797776	390708	816912	468698	986044	489665	635343	0	0	0	0	0	0	1197032	1203504	1141809	997106	861477	1056130
N-Acetylneuraminate	789426	888373	1034949	842799	872925	895906	809030	964997	938266	872696	858607	898033	732182	865501	943120	826783	855420	974064	810978	783425	1038836	936288	841061	942671	890780	806056	882619	1027421	933317	862700	813910	851358	956497	1098076	819242	1028004	768613	824058	1015824	949195	927081	959230	845992	851271	746523	943447	761540	831140	959818	848780	985876	836970	833706	801792	966378	902067	878761	0	0	0	0	0	0	892768	864431	856081	940224	935622	994857
N-Carbamoyl-L-aspartate	941353	1206818	618000	673794	706454	525629	1856140	1640555	561744	528033	526009	254611	2072829	1457659	638558	462844	588401	281952	1984778	1416256	655844	576395	558313	247324	2125552	1617107	162381	817312	188879	886820	1940138	1844394	126578	1001397	102239	1056055	1878441	1803943	162701	232582	175805	238660	739763	1917967	1238524	554471	142242	137786	760267	157245	551408	154173	494189	89127	765732	160071	226218	0	0	0	0	0	0	955365	920282	904485	943070	905364	994231
N-Feruloylglycine	435055	509557	419103	500554	461620	502497	452580	461383	438454	493215	646449	529547	425001	391185	522276	403077	452707	482613	521541	383505	470049	514225	428593	445037	357626	434442	497214	397554	578152	366654	534134	390675	538673	416115	414353	366860	370949	452334	484501	382336	527106	512828	493027	427046	526714	489449	454292	500615	375073	373023	517529	468997	347952	529701	470706	507662	473061	0	0	0	0	0	0	434520	540743	463707	467252	443201	450121
Ngamma-Nitro-L-arginine methyl ester	116589	93239	87220	123412	107204	125042	103673	101390	88849	76021	121069	95636	104386	113003	90483	87062	103885	106311	112506	126462	101873	116530	129093	139797	98417	106615	128697	111432	139216	103489	105023	128298	109400	117400	109496	107307	105991	124776	123105	111487	125221	98686	121277	80830	124046	99121	141411	137468	96474	126815	112912	126933	103328	113768	108090	130111	115876	0	0	0	0	0	0	110207	98822	87975	104955	114710	114705
Nicotinate D-ribonucleoside	157030	245825	287950	204527	291792	242053	170378	218284	215379	172542	197428	170968	148796	230518	186486	218457	213058	197264	175150	174025	175018	173791	228998	231062	206584	220057	188866	253044	146652	209491	151529	165289	202340	235543	183497	362349	185304	204435	214628	249911	238293	206599	175170	188933	216392	180212	167268	231696	214569	219577	249803	234298	229535	168783	271675	224358	204477	0	0	0	0	0	0	219694	218213	222318	260301	179073	218313
N-Methyl-2-oxoglutaramate	444931	472017	398516	416936	407986	369538	544286	494576	480155	448836	360790	386402	564542	501771	411114	364230	405025	370999	465495	467261	502147	333566	404999	260946	566559	455890	300293	451004	270275	424350	551974	418261	351937	515826	278444	453897	539451	377625	298741	419816	350702	377153	399313	634115	345694	401308	301186	312864	452204	271882	379678	310293	376892	317890	397198	289444	370844	0	0	0	0	0	7653	367372	483166	417549	448223	456831	436658
N-Methylhexanamide	323798	266426	344560	280191	306889	365520	166732	237263	327655	338508	405017	324388	253533	220455	369038	298824	293024	384139	186462	189442	387737	369903	349375	306625	169322	227651	240713	304478	261991	266884	156995	225399	296178	255417	299546	251648	227107	240986	314348	275553	270739	336702	259058	236507	353857	313628	316574	301693	403758	343142	355871	337438	304960	301239	299813	517336	287393	0	0	0	0	0	0	337768	288149	242987	315090	325089	345120
N-Succinyl-L-glutamate	1479331	1223889	1186867	1249991	1321335	1341713	1320256	1373996	1297766	1509070	557982	1426929	1245442	1230173	1184036	1471878	1380068	1474633	1386592	1175055	1245410	1605795	1432578	1530354	1523527	1345037	1262425	1281906	1233041	1022465	1319996	1316681	1183407	1201846	1173515	1005601	1368660	1234217	1189457	1311202	1194545	1152860	1176958	1458465	1161556	1228321	1401279	1262946	1120514	1254708	1495667	1180644	1468692	1216174	1107304	1197851	1588017	0	0	0	0	0	0	1401119	1367899	1320566	1260395	1250876	1310226
N-Succinyl-L-L-2-6-diaminopimelate	341481	447628	466244	452335	370380	420893	275666	357564	483095	354433	311678	379227	256027	359111	482521	330270	323427	423699	314642	337692	564989	402403	339258	428056	277364	383364	421233	519175	405961	555052	258662	354580	362063	560186	387147	610841	278879	269010	406988	454856	439271	438901	363007	331104	279961	529697	392236	451214	469733	352334	387081	359627	308336	411185	523176	412778	453704	0	0	0	0	0	0	325251	437861	467013	334466	367502	420080
nva-FMDP	939199	951207	858338	881957	977464	967911	911139	914352	833490	967831	974240	928934	882585	1055812	501283	970203	952011	1003016	936404	949109	1024098	971475	888150	915669	852266	1012070	954469	902015	1010947	983392	918109	890416	836521	872607	894963	894805	869949	866599	792944	896643	874063	901775	905146	1003088	973014	1041175	827651	801706	947191	856288	1009969	864974	795409	737372	798849	800237	863162	0	0	0	0	0	0	941633	958775	932014	951656	973456	616728
O-Acetylneuraminic acid	647347	773457	763204	608661	686722	751729	682094	814965	675510	636360	529859	690591	776451	675055	736429	460909	555635	756441	767206	695715	833187	621340	561754	612272	877320	693529	747011	740891	656338	743086	760016	836909	756572	674141	791300	839209	771901	748699	780265	772872	704731	829028	978225	685200	687914	629432	705037	821407	697462	902304	553457	683283	459436	839495	709401	755325	681957	0	0	0	0	0	0	727062	753623	695445	760044	828310	679366
octyl beta-1,6-D-galactofuranosyl-alpha-D-glucopyranoside	603761	584095	635059	680580	604492	589242	410586	540889	620719	577849	605368	577106	506595	520383	586728	607152	572792	579076	412410	454898	499452	527049	479358	705714	332411	353685	551042	435564	471008	430675	290976	312803	380327	279939	442210	441963	238616	323921	215307	295865	434109	477508	629811	581868	494531	616845	523638	498773	479699	512981	613449	528848	568641	526516	545845	527805	520053	0	0	0	0	0	0	388918	457967	534837	475526	448637	381346
O-Phospho-L-homoserine	256204	311142	249743	206263	241734	284782	332799	343671	215023	233382	242742	262560	367170	330392	225384	233880	275373	271877	417165	320145	201416	252757	291757	249804	397074	424843	452828	326224	338700	244862	398113	352428	473983	290886	365252	333993	306549	346012	374151	397928	377673	387260	284878	428025	294196	195952	358463	274714	264989	288282	203283	384540	263211	298538	207556	310379	227547	0	0	0	0	0	0	365796	327387	331982	354181	394238	413536
Ophthalmicacid	264845	280651	212083	273989	305356	275214	247596	293639	240434	272367	283049	294254	273232	324708	299991	235121	238336	289250	320730	240388	312182	372672	318723	262521	300758	246126	347678	215121	599412	348109	328492	254801	310423	312215	434031	348681	289747	280003	371639	376247	352069	352429	309925	274186	263023	276041	273281	231498	304366	213207	269367	291063	244368	214681	274639	267225	255983	0	0	0	0	0	0	320184	393456	287071	356335	296278	307154
PG(32:0)	16630	18003	0	0	0	0	24686	31089	0	0	0	0	86784	83879	0	0	0	0	249141	348531	63293	43100	31266	0	102762	123751	116283	72059	208575	188438	576971	618001	383632	322814	1624959	1595104	896952	1154195	609765	473326	2478519	1870221	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	301671	323489	335752	324593	335889	319787
PG(32:1)	60619	46967	0	0	0	0	34741	49138	0	0	0	0	140431	129226	29203	0	0	0	298996	399166	73784	67768	57165	50346	215140	226301	154003	91380	446439	366257	725340	775285	451312	366019	2414051	2263318	1075716	1091406	546748	509998	3166751	2432355	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	399453	409488	410123	433006	408543	417685
PG(33:1)	18493	0	0	0	0	0	31657	46295	0	0	0	0	116036	125303	0	0	0	0	285810	479071	49072	46140	23504	0	214883	227805	129377	115501	338627	285066	925231	1002521	536076	491122	2022210	1944015	1325177	1447051	737953	703470	2528731	2194374	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	413375	446069	427390	476123	473453	467334
PG(34:2)	244289	168533	20126	32206	29068	39732	121479	153415	25898	0	22876	24898	302483	319323	56797	27688	0	22212	654215	921708	193065	132884	99903	84820	436692	461538	307242	247688	1184374	875105	1364794	1452734	890959	833233	4789682	4292601	1899342	1890750	1140197	1108286	5980252	4499953	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	808082	871411	839510	882492	847277	814610
PG(35:1)	29127	22249	0	15683	0	0	74508	107007	0	0	14260	0	255230	297544	23713	0	0	0	686355	1396816	126942	126378	25174	21882	432617	486922	322585	370912	534037	454324	2441260	2660234	1692138	2352343	4365430	3847475	3742973	4217463	2643526	3394557	5698309	5236653	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1053988	1185934	1141802	1163982	1224796	1123792
PG(35:2)	0	0	0	0	0	0	39965	60701	0	0	0	0	125491	123720	0	0	0	0	265203	471292	61485	52323	21494	0	239684	225227	119766	116522	379434	315985	726123	774143	504350	488401	1985917	1803677	1068354	1064219	707924	708978	2312151	2109801	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	382676	391881	367790	413636	384351	373598
Phellamurin	0	0	358717	349928	653031	635199	0	0	310105	428888	631271	659836	0	0	421773	397867	747365	811199	0	0	382336	437753	733112	683067	0	0	515006	394571	792828	638338	0	0	496491	515991	724162	791442	0	0	485535	474597	679711	749676	0	0	0	346917	425431	478284	508082	577115	446193	897588	773683	708599	841628	951685	786302	0	0	0	0	0	0	484194	401462	405590	418526	396812	352626
Phe-Ser-Ser-Ser	220733	190457	236027	219086	225236	230078	222638	184515	257157	229521	254015	265667	175031	189387	256718	232629	223192	240524	201075	199453	270732	283407	212623	251718	180714	144203	164268	182526	156561	207200	133177	151972	137186	161192	149661	185339	142773	162630	165073	139647	174161	172162	222144	198935	165899	263051	259696	248227	219926	242717	258121	210286	268561	177115	206099	209683	280682	0	0	0	0	0	0	237892	189899	204034	192288	236311	228128
Phe-Thr-Ser	1378390	1133121	1681552	1243454	1327872	1394306	1317945	1205113	1166488	1317683	1223985	1587281	1432763	1101148	1398277	1443647	1221532	1337701	1030610	1150162	1209605	1676335	927605	1132489	1120347	1486262	1194070	1097747	1229852	1079073	1354574	1150934	1353062	1344519	1511182	1445766	1877097	1262831	1471330	1186759	1056785	1604320	982012	1225754	1244329	1689308	1175024	1238335	730656	1338443	1551643	1022519	1237786	1435576	751220	1179721	1676440	0	0	0	0	0	0	1264509	1287518	1273829	1210584	1287928	1704222
Phosphoenolpyruvate	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	127909	135189	138697	106553	126718	112947
Phosphophosphinate	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	196401	0	0	0	0	0	0	354201	256271	505548	0	261475	457055	408763	448400	424918	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	504505	613258	783124	689249	690059	689038
PI(32:4)	352783	361566	355435	446164	392731	381151	322072	311360	409112	432426	400080	457252	242986	274716	416624	414078	393600	508574	128718	120721	224755	300248	317563	446899	72550	71743	0	55346	136964	146828	0	0	0	0	0	0	0	0	0	0	0	0	338403	373132	315672	427561	359586	413232	332146	394103	453204	349923	366656	374730	352471	388251	454787	0	0	0	0	0	0	191913	181724	202244	177264	184737	160346
PIP(16:1(9Z)/18:0)	2963979	3007773	2925637	2890233	2808031	3009399	2956072	3229578	3042933	3067539	3097906	3028429	2866140	2886732	2878574	2877967	2918315	2942397	2527140	2359772	2791720	3005896	2826439	3127610	2330924	2603394	2405051	2236551	2732398	2365216	1478677	1898786	1291374	1355099	1764353	1909715	1058516	1309985	981916	1009621	1594070	1617207	3241787	3078561	2848509	2952998	3190710	2971591	2988662	2864385	3101761	2798778	2753823	2953836	2688841	3002553	2817769	0	0	0	0	0	0	2372406	2440836	2319757	2290940	2429752	2240140
polyprenylpyrophosphate	0	0	18400000	20800000	34500000	37700000	0	0	11900000	16700000	39700000	46000000	0	0	11600000	19600000	41600000	21700000	0	0	12400000	17100000	39800000	21700000	0	0	13000000	18800000	39200000	20400000	0	0	13800000	22900000	35700000	44200000	0	0	17900000	13400000	41400000	41000000	0	0	0	11900000	22400000	14500000	25500000	24700000	22600000	44400000	42500000	40600000	47400000	44900000	40000000	0	0	0	0	0	0	8743957	15000000	11000000	18300000	20100000	10300000
Portulacaxanthin III	485525	510174	511188	472360	480064	523731	448153	541983	511902	535742	510847	573969	498793	505883	482633	456948	488932	444441	430873	414985	474076	564596	485697	526395	488112	468860	462205	446867	434100	456143	462487	520149	420255	473849	494430	471474	570886	431100	452750	606349	475086	420278	482187	511688	556352	459603	494895	464142	463631	497893	517026	500028	513646	511913	467386	452833	529435	0	0	0	0	0	0	434602	495116	525205	485913	563414	487297
Proacacipetalin	1930408	2299373	2484780	2760983	2489810	2535971	1909796	2074061	2548531	2163985	2065052	2535462	2333511	2137847	2472880	2401710	2535027	2468976	2128627	2152425	2566362	2452145	2371766	2642949	2015102	3028781	2460516	2640124	2665681	2969177	2317231	2289655	2375797	3122817	2416842	3234168	2109067	2353198	2822232	2762260	2832183	3134565	2392858	1987932	2020649	2517167	2702988	2249857	2326941	2444260	2073994	2746329	2231877	2460613	2709893	3145184	1968987	0	0	0	0	0	0	2541435	2338010	2269530	2185598	2626727	2635128
Propanoyl phosphate	241802	257409	186253	197894	234488	211456	352072	427302	308027	332228	335295	383603	246241	353878	420560	402415	355604	381496	214801	213809	403421	439381	480146	464789	152636	188583	319440	338377	375807	366772	121887	133402	160947	206396	262774	280971	111796	116605	138758	183295	267985	246614	236600	222348	238373	238694	188875	229405	224969	189450	221347	221508	171974	232032	235248	200363	224997	5870	8788	0	0	6861	0	305456	237278	245386	300498	275224	330425
PS(19:1(9Z)/0:0)	1812950	1954325	1918280	1823231	2098287	2162243	2091474	2180270	1606971	1732910	1756160	2329785	2017648	1829154	1645965	1875656	1850913	2160474	2159365	2219136	1997586	1920828	1743071	2454683	1847047	2101401	2555197	1916717	2343355	2398104	1341937	2035914	1896748	1444231	2066004	2200902	1337434	1292672	1643095	1876259	2082109	2168953	2011661	2120212	2042304	1896822	2546266	2169224	1801603	2272967	2119075	2189028	1729454	2496746	1596795	2504599	1716257	0	0	0	0	0	0	1920768	2073020	1883263	1947893	1952294	2058155
pseudaminic acid	389790	381013	424780	442001	379936	412455	336132	335900	341797	389933	350943	307340	328397	380059	372010	275462	435882	372815	384212	358611	352528	383591	402962	345435	424159	361476	468869	377675	583602	324971	421818	439147	536887	405203	514699	448880	369218	462458	520461	510355	438758	531093	432542	347490	338298	331115	407691	407407	350150	420677	330880	398799	401929	453892	420025	492261	349446	0	0	0	0	0	0	339978	432337	339022	341185	377347	431986
Pseudopurpurin	180234	163238	124122	181356	194869	165736	0	0	0	141430	158831	187483	0	0	113938	207005	218624	278726	0	0	0	0	203879	271480	0	0	0	0	115797	0	0	0	0	0	77856	0	0	0	0	0	0	0	332006	247708	362857	151756	557061	613159	296728	756285	310044	882883	387523	627615	319849	701731	419456	0	0	0	0	0	0	0	0	0	82142	96909	134794
Pseudouridine 5'-phosphate	485926	539417	427597	393719	443783	436510	541628	631099	442115	446251	416211	513989	831721	630715	470058	408764	406957	405227	744250	522706	467341	460264	451618	513228	790958	753194	589955	513040	469465	414114	867797	827757	565756	585380	516281	515357	853040	878737	653905	581665	525011	545571	552093	603067	609058	395757	495250	417531	422627	428455	388786	446708	418410	376502	512217	453093	412617	0	0	0	0	0	0	605558	582555	566921	685354	545672	568127
Pyruvate oxime	164421	200594	204612	181095	231979	167958	232415	224168	206606	192410	214672	186142	267525	203978	180464	184187	225177	193167	242213	196789	211437	180232	170195	173778	253987	198181	135583	204457	164805	195241	202650	228656	179272	202565	138199	183146	192711	216398	155719	135195	215770	150997	189040	255049	214074	174737	147505	187764	171695	171030	221206	164735	188850	127511	207283	154718	172382	0	0	0	0	0	0	184486	246603	168732	213131	221452	188179
Raffinose	679210	703978	660274	734702	791677	886389	755703	789202	813953	840747	754617	956858	755717	842957	763849	682738	740738	872859	732572	758293	844315	774084	757559	924076	741478	846562	809058	738129	873529	780203	787340	882898	962636	882894	863119	1010018	659971	950046	762308	853072	760507	904622	812066	772218	767635	844808	855766	771946	751851	808394	738254	742729	664410	855028	916246	819004	830511	0	0	0	0	0	0	1540176	1557431	1488740	1503763	1465098	1364406
S-(11-OH-9-deoxy-delta9,12-PGD2)-glutathione	468049	567717	615636	553549	493254	610404	543415	495491	499200	511047	604679	629777	510650	758464	537365	582624	562487	668153	395831	407049	582375	555447	705856	647260	510086	506220	445328	444750	522277	404248	456976	456462	525023	475625	513379	476172	527383	559867	465481	445202	643515	662187	758846	477433	552012	603456	778462	523527	529190	551084	487293	554996	552021	603534	608734	688979	840373	0	0	0	0	0	0	470207	556537	470744	477746	417758	640955
S-(3-oxo-3-carboxy-n-propyl)cysteine	226130	271526	239012	339369	325796	249291	291794	327647	227317	209473	199691	273852	267125	311824	233210	207118	250717	218817	283001	269392	267801	292410	204036	271559	292543	273233	140066	229335	251707	224603	267351	227954	172736	271466	176944	311637	246066	353845	165121	141797	229980	207042	243916	258835	255314	307313	177267	285924	272996	179826	227247	195735	240566	212345	279307	297572	185166	0	0	0	0	0	0	326296	231946	241615	222387	260486	366583
Sarracine	860066	710464	896030	825477	789105	982827	726640	692107	851260	845749	850198	896806	755567	1020261	793906	752629	830034	1120558	680983	664981	845063	1080764	828235	831869	721979	928733	913605	737241	734699	756279	428877	582439	508205	396179	747635	859097	176886	298039	286178	353800	636656	862439	826555	696495	702205	784962	732276	959170	795297	726287	949020	898370	947986	721001	795868	1054658	935140	0	0	0	0	0	0	841179	628214	787097	772373	929013	971816
serotonin O-sulfate_1	766647	921401	880309	725107	923969	975004	861782	934206	863761	1054246	975657	1171610	1055666	727576	778588	978922	980486	1016593	674736	837058	822973	976301	876843	1083540	917850	924219	886599	828973	890280	859085	806044	873803	747302	872452	873752	691493	780028	1013736	1018959	892285	836177	699881	918068	738631	770787	765830	569076	591590	727627	894498	855412	474923	708387	440332	780305	627756	866767	0	0	0	0	0	0	823090	751354	857255	748075	980516	864971
serotonin O-sulfate	461789	490596	482761	379555	526174	529308	541729	429727	483114	492889	461851	525110	416487	448278	506055	513480	464103	566172	432919	541467	691697	491338	509529	541196	512416	474928	436364	402834	470366	480015	443172	437882	515640	370503	395719	354293	472907	454673	449607	413654	448247	442634	407936	456654	414629	574019	520514	432777	398626	383216	496928	364850	486529	440332	399116	394478	533122	0	0	0	0	0	0	489233	455880	464294	484663	465675	500661
Ser-Ser-Tyr	385992	407364	418501	463488	431478	375360	481157	411881	521394	418794	478085	446341	491143	453065	533757	414439	393671	521662	511488	387062	478399	492426	512338	379545	413140	498646	470550	449377	483264	371790	675129	566856	623509	623562	462786	556774	604246	649401	587000	594112	455616	609057	437495	442393	393956	443891	368282	326412	464326	357688	425817	384837	413007	414434	372440	370872	433950	7461	0	0	0	0	11089	423673	482787	496434	496313	567359	523255
sinefungin	147484	149664	148108	150434	162007	148094	199420	160312	145667	150129	153113	142787	187217	153444	179282	145092	143279	147859	168702	173794	154877	126713	152941	143143	163209	162240	147841	134071	153128	148969	185552	190376	141394	176356	148041	161080	205678	198431	132255	170296	130898	140835	153243	176527	167068	147748	128269	146646	128702	161979	172561	154718	135298	142859	180205	132140	132586	0	0	0	0	0	0	134936	154257	148637	177645	187797	154842
sn-glycero-3-Phospho-1-inositol	1576253	1774620	1511137	1488281	1450795	1576122	1091546	1287331	1055032	1233077	1119944	1345698	634226	667741	1524730	1507100	1507340	1675954	284121	313102	772720	923935	1413470	1542493	139086	115786	267212	369298	458174	535253	110773	86214	128083	105535	120169	107361	0	96786	91686	154177	67328	114033	1703191	1760419	1685770	1569555	1700232	1487964	1727888	1596150	1570232	1586007	1650625	1550403	1735431	1725749	1524680	0	0	0	0	0	0	939362	860885	856736	847686	884759	817851
Stachyose	413316	412334	353576	379000	450198	469046	337281	396387	364334	339794	353955	417860	364029	279309	431869	335301	323511	393044	402035	294370	406868	305205	326500	388118	294354	378271	346336	383021	414288	403518	388606	383577	404693	531744	382968	401912	361379	376013	314205	447608	422963	403331	358643	397045	389035	333590	443540	414086	416918	414422	346532	367586	313315	432634	418167	406307	439165	0	0	0	0	0	0	1248718	1190133	1224430	1237017	1127664	1174295
Subaphyllin	27400000	25600000	18000000	11400000	11600000	11000000	27700000	18800000	14100000	11200000	10400000	10900000	22800000	18700000	15600000	11500000	11200000	10700000	19400000	14100000	11800000	9987115	11600000	10900000	18200000	12200000	9649812	7514210	9778836	9513878	7912779	9414306	6857835	5179683	7294920	7570429	5459328	5258985	5309687	4272142	6801459	7094041	21900000	36700000	22200000	10600000	11600000	12400000	12100000	12100000	11000000	11200000	11100000	11500000	12000000	12000000	10900000	0	0	0	0	0	0	25400000	17100000	10900000	9183381	8963254	9579692
Taurine	153223	186424	204102	172206	162953	195982	188823	201491	208434	173908	163972	205429	204803	173894	213783	196717	153496	180336	158235	181589	181386	181372	159559	188873	213627	170328	156465	172557	151608	195221	221684	216690	161238	181273	137019	163254	183063	213290	156242	183345	201090	164412	160080	179327	166970	187540	181221	166105	199653	178129	162804	158924	147402	152120	189869	157066	154129	0	0	0	0	0	0	198975	197266	171553	169344	166285	155439
Thr-Glu-Glu-Glu	169772	118519	154465	143120	115725	137859	121753	142364	165511	164180	127726	175617	144954	135206	174918	147064	150598	156113	149009	102324	147923	192548	133208	165384	126023	126603	119481	109238	122079	81706	96209	96424	82969	83141	109902	103342	100226	86161	65751	56070	89876	88570	112071	132542	122636	172571	150832	119675	103913	107657	164005	114791	115722	104777	109221	125572	127751	0	0	0	0	0	0	295395	249605	268134	294107	283855	266801
Thr-Pro-His_1	462574	435589	536212	462171	609496	643096	488018	730146	451575	438331	476254	456030	504558	611521	474690	418881	499056	459266	450648	527700	452030	475808	491979	573477	622475	462033	506824	531246	565837	449094	541967	623894	647782	520286	527829	562282	499301	636782	624983	647177	609395	543790	612875	525109	562171	420629	701086	549750	578561	584019	441692	629389	487002	651608	641468	611345	574410	0	0	0	0	0	0	536298	553014	575477	529874	655098	550722
Thr-Pro-His	682630	795926	663137	691505	692304	691250	687358	731788	576379	590107	654197	681729	749421	817819	606945	638040	678205	649003	681002	636381	673701	592159	724070	640467	760757	702714	760242	738287	798983	671109	778777	766754	801697	723272	712323	715745	674310	780152	816242	816042	820025	817320	748639	723089	768680	657946	771727	766755	696396	768538	653673	743992	738951	914679	755612	784451	580670	0	0	0	0	0	0	736703	742220	760563	780351	757023	733433
Thr-Tyr	143225	175797	151032	160496	128608	125681	123740	153009	107276	97057	60870	76287	110888	141167	149078	152844	157508	107045	121919	102339	103634	91667	196625	123883	0	124231	0	113386	72721	147276	117542	101489	51362	110179	50890	129394	0	79351	0	61586	0	79396	202522	177061	152072	154725	84939	72157	205002	107790	161539	110768	184295	90283	221247	119032	128292	0	0	0	0	0	0	119459	122835	130332	103355	89872	102244
Tremulacin_1	0	0	1028676	927114	1298461	1390384	0	0	1129882	879416	1398202	1593982	0	0	1052913	1049312	1553902	1629861	0	0	1005364	756559	1544768	1569917	0	0	920920	931288	1125203	1340367	0	0	811730	1069019	1075561	1651609	0	0	745215	1194686	1794507	1349514	0	0	0	934840	879999	1003051	1147522	900983	1104413	1667832	1547495	1393607	1474839	1470557	1560233	0	0	0	0	0	0	644991	769802	826753	731584	680283	669434
Tremulacin	0	0	703829	483835	822456	761883	0	0	692036	670238	803836	826413	0	0	805923	534743	939010	982065	0	0	664428	583453	762731	813045	0	0	538661	566518	598720	835666	0	0	488376	570009	573403	731464	0	0	521424	536041	543151	765308	0	0	0	795988	806189	659910	633655	727212	674352	761470	923932	819888	944433	912851	841127	0	0	0	0	0	0	492332	585607	534428	570802	364099	443411
Tri-N-acetylchitotriose	202363	251342	17614	22337	26148	17809	470581	514928	0	0	0	0	836045	762315	34543	0	0	0	814384	675680	45745	94239	0	0	515686	495809	23163	33872	13084	0	62631	83791	0	0	16518	17209	36058	31598	0	9066	0	17291	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	215013	235033	233671	230684	222637	199115
Trp-Ala	457214	425385	376567	437094	429797	633430	318857	378851	457540	527073	453488	491009	293186	395649	416152	425815	534468	673126	292001	268926	388169	385672	471449	559760	178883	254127	362267	210621	525262	367734	0	0	286311	0	539265	374467	0	0	0	201457	497685	433316	471778	294027	378455	495328	674952	552884	574635	567549	498651	518363	469369	698353	469840	593242	701021	0	0	0	0	0	0	327540	335856	421528	346951	409562	351245
Trp-Cys-Arg	170862	187671	265352	243069	240972	255153	203630	156022	334072	282329	269666	320240	169633	178493	308039	273465	274954	360371	157651	174853	306601	366073	296371	311009	218191	197416	220649	192412	202608	196976	157031	218556	189682	204072	187547	195291	173987	188629	176392	240149	204536	153817	205625	208242	199748	278828	165619	185852	235169	215854	335000	204047	224916	175421	168840	230311	294990	0	0	0	0	0	0	232490	215219	234070	217666	245073	268198
Trp-Ser	270272	261975	226323	254163	284171	230526	240088	270244	259432	257182	226972	237731	264720	298790	262819	222356	228060	226666	229268	230793	243546	238999	224087	221222	274041	263823	256752	288077	278596	273983	305824	260136	329814	276492	265114	275690	249830	268278	253860	372926	301027	261731	253577	229679	245534	212331	316076	248213	286497	283096	275453	269630	229726	275785	252008	286384	230721	0	0	0	0	0	0	298569	263268	270077	237033	228110	282185
UDP	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	92601	63882	0	0	82156	61291	144250	140053	94241	50522	0	65795	138272	108993	0	57445	0	0	96734	105229	71519	69277	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	113044	92806	108779	98346	101827	95486
UMP	203780	216065	326277	284820	277050	330511	446515	530699	380208	322359	327990	396130	679343	683004	363708	277146	224838	363294	668521	758934	993517	831259	223876	325142	748409	590342	1033310	1020495	1585189	1182226	672143	639106	558322	488114	1055571	1205841	660034	659425	561415	425344	1343354	1229861	261009	193787	191171	216213	220547	225955	210950	243850	235149	177052	207141	252203	174633	230894	198417	0	0	0	0	0	0	576142	631551	613691	716434	606771	573831
Urate	835778	723119	2587139	2490971	2387882	2406549	3990470	3852503	3519337	3975028	4039255	4160773	6883920	6899691	8196182	1405435	332723	425026	10100000	10500000	4437642	6032648	740648	234349	11600000	11200000	6560351	4586429	2758443	1402420	13300000	12600000	9430434	5141920	2971215	2233203	14700000	13800000	8261557	7727291	3285073	4229437	0	0	0	0	1457126	1142189	0	1284828	0	1272037	0	1499077	0	1227205	0	0	0	0	0	0	0	5980335	5939706	6348431	5752995	5324818	6239638
Veratridine	4847692	4977601	4643394	4697022	4580880	4114320	5196749	4920447	5677679	5591218	3665775	4319186	5263269	6068867	4733212	4825055	4554382	4895454	5053772	5034101	5308981	4770299	4626897	4546815	5093432	4689682	5249714	4817226	5554805	4168908	5371745	5071427	3792015	2869039	3631646	4652020	4472014	4783351	3658982	3913807	4448723	4696580	5103306	5174256	5099327	4953448	5490305	4201406	4955438	4295966	4281140	4617239	4633159	5713302	5008025	5053014	3453374	0	0	0	0	0	0	5638341	4447799	4765787	5156964	5161389	4739800
Vicianose	275136	306017	270976	240060	323711	257140	253919	297787	208992	219379	230677	295312	317797	300940	236770	226220	277735	218952	274878	257617	282304	234787	180543	284611	336129	342674	246015	243185	248137	270096	256866	274213	248752	239489	251257	165156	268207	298572	204651	210681	275222	219816	309911	319867	298112	239877	230834	315545	254631	268758	253862	254506	211013	270640	210196	313518	205252	0	0	0	0	0	0	295574	256007	253547	200692	234139	250268
Withasomnine	10200000	10800000	9062402	8614761	8310551	9191823	8558878	10600000	9209048	10000000	11100000	11400000	8899591	11000000	9645360	9803507	9512282	11400000	8200481	9139838	9536237	9965433	11000000	11400000	8384260	10400000	12500000	8370014	12100000	8097124	8524698	10100000	13300000	11200000	12800000	7553850	8043132	10300000	13500000	12900000	13200000	13300000	11100000	8852767	9965126	9222987	13300000	12800000	7431045	13100000	10100000	12900000	8814327	13300000	7687365	13200000	12100000	0	0	0	0	0	0	10700000	7411010	7262170	6991914	7194417	7055937
Xylobiose_1	302370	246591	246655	258557	231971	216015	301477	275027	227213	217753	200571	241182	263498	368472	249767	204209	225153	221781	287142	250344	305404	213228	242015	209019	327393	310866	267742	244728	196577	275071	265412	316867	222924	296468	242571	306697	300362	272099	244808	245463	247790	299151	307812	262657	300622	254567	241308	224301	222672	190008	273074	196812	244956	203503	234758	196334	261670	0	0	0	0	0	0	284433	267247	275422	283300	247293	278170
Xylobiose	775157	786816	722692	792570	836623	828363	782596	826213	731026	808744	815050	865707	756023	835842	745732	865519	793999	789253	773018	748899	753188	743099	808048	817183	778273	902971	1022686	858351	861019	942374	742737	775586	964792	635757	659744	737718	868801	866345	764770	845609	745826	921120	743913	853317	776185	705129	839078	777891	721732	747814	1023636	760018	823663	723992	786188	780702	793891	0	0	0	0	0	0	1040732	1115318	980159	939895	922978	1036542
MS_METABOLITE_DATA_END
#METABOLITES
METABOLITES_START
metabolite_name	retention time	Mass	KEGGid	Lmid	InchiKEY	HMDBID
3-Methylbutanoic acid	5.63760212	102.0679938	C08262	LMFA01020181	GWYFCOCPABKNJV-UHFFFAOYSA-N	HMDB00718
Hexadecanoic acid	3.528487095	256.2401371	C00249	LMFA01010001	IPCSVZSSVZVIGE-UHFFFAOYSA-N	HMDB00220
Octadecanoic acid	3.490885212	284.271434	C01530	LMFA01010018	QIQXTHQIDYTFRH-UHFFFAOYSA-N	HMDB00827
ethyl propionate	4.464835455	102.0680086	0	LMFA07010411	FKRCODPIKNYEAC-UHFFFAOYSA-N	0
4-Oxoproline	14.12264579	129.0425514	C01877	0	HFXAFXVXPMUQCQ-BYPYZUCNSA-N	0
FA ethyl(6:0)	7.063966212	144.1149461	0	LMFA01020087	OBETXYAYXDNJHR-UHFFFAOYSA-N	0
4-Hydroxybenzaldehyde	6.27903239	122.036706	C00633	0	RGHHSNMVTDWUBI-UHFFFAOYSA-N	HMDB11718
3-Hydroxybenzaldehyde	4.812503547	122.0367198	C03067	0	IAVREABSGIHHMO-UHFFFAOYSA-N	0
sodium dodecyl sulfate	3.442756585	266.1549731	0	0	MOTZDAYCYVMXPC-UHFFFAOYSA-M	0
FA methyl(8:0)	3.811234972	158.1306069	0	LMFA01020002	GPOPHQSTNHUENT-UHFFFAOYSA-N	0
Rishitin	7.027850042	222.1618195	C09715	0	XSCYYIVXGBKTOC-GZZJDILISA-N	0
Orthophosphate_1	13.65422633	97.97695683	C00009	0	NBIIXXVUZAFLBC-UHFFFAOYSA-N	HMDB02142
Tetradecanoic acid	3.568088732	228.2088967	C06424	LMFA01010014	TUNFSRHWOTWDNC-UHFFFAOYSA-N	HMDB00806
FA (8:0) octanoic acid	3.961798593	144.1149666	C06423	LMFA01010008	WWZKQHOCKIZLMA-UHFFFAOYSA-N	HMDB00482
4-Hydroxyhexan-3-one	5.372467613	116.0836917	C02948	LMFA12000029	SKCYVGUCBRYGTE-UHFFFAOYSA-N	0
Dodecanoic acid	3.631038957	200.1775858	C02679	LMFA01010012	POULHZVOKOAJMA-UHFFFAOYSA-N	HMDB00638
Orthophosphate	15.48383805	97.97675157	C00009	0	NBIIXXVUZAFLBC-UHFFFAOYSA-N	HMDB02142
Maleimide	7.159806093	97.01633646	C07272	0	PEEHTFAAVSWFBL-UHFFFAOYSA-N	0
Hexanoic acid	4.436722762	116.0836962	C01585	LMFA01010006	FUZZWVXGSFPDMH-UHFFFAOYSA-N	HMDB00535
2-6-10-Trimethylundecanoicacid	6.847817155	228.2088123	0	LMFA01020285	QFIWFUDXERFOIY-UHFFFAOYSA-N	HMDB02221
FA (18:2)	3.519394598	280.2401334	0	LMFA01030115	QJKCKUNKNNYJNS-BNFZFUHLSA-N	0
[FA methyl(11:0)] 10-methyl-undecanoic acid	6.928355623	200.1775598	0	LMFA01020004	QJRRBVNPIKYRQJ-UHFFFAOYSA-N	0
Scytalone	7.151857747	194.0578249	C00779	0	RTWVXIIKUFSDJB-ZETCQYMHSA-N	0
Ile-Ile-Lys-Pro	16.23580536	515.3331173	0	0	0	0
(S)-3-Methyl-2-oxopentanoic acid	5.413311932	130.0629744	C00671	LMFA01020275	JVQYSWDUAOAHFM-BYPYZUCNSA-N	HMDB00491
Orotate	9.915175303	156.0170176	C00295	0	PXQPEWDEAKTCGB-UHFFFAOYSA-N	HMDB00226
9-Oxononanoic acid	7.221581013	172.1100395	C16322	LMFA01060160	WLGDDELKYAWBBL-UHFFFAOYSA-N	0
4-Methyl-2-oxopentanoate	4.40270587	130.0629744	C00233	0	BKAJNAXTPSGJCU-UHFFFAOYSA-N	HMDB00695
Phenylhydrazine	6.210643028	154.0741403	C02304	0	HKOOXMFOFWEVGF-UHFFFAOYSA-N	0
(R)-2-Hydroxyglutarate	15.03074509	148.0371572	C01087	0	HWXBTNAVRSUOJR-GSVOUGTGSA-N	HMDB00606
FA oxo(8:0) oxo-octanoic acid	7.073692022	158.0942813	0	LMFA01060016	GPPUPQFYDYLTIY-UHFFFAOYSA-N	HMDB13211
7E,9E,11-Dodecatrienyl acetate	3.624456328	222.1619395	0	LMFA07010233	MJZHEIHTZZJYOP-YTXTXJHMSA-N	0
FA (17:0)	3.514559618	270.2558322	0	LMFA01010017	KEMQGTRYUADPNZ-UHFFFAOYSA-N	HMDB02259
[ST hydrox] 3alpha,7alpha-Dihydroxy-5beta-cholan-24-oic Acid	4.060274523	392.2923218	C02528	LMST04010032	RUDATBOHQWOJDD-BSWAIDMHSA-N	HMDB00518
Imidazol-5-yl-pyruvate	10.19769904	154.0375525	C03277	0	JEJNWEREQWMOHB-UHFFFAOYSA-N	0
Decanoic acid	3.733528402	172.1462853	C01571	LMFA01010010	GHVNFZFCNZKVNT-UHFFFAOYSA-N	HMDB00511
FA methyl(14:0)	3.55244248	242.2247271	C16665	LMFA01020008	XKLJLHAPJBUBNL-UHFFFAOYSA-N	0
3-Dehydrocarnitine	5.661109608	159.0894471	C02636	0	YNOWULSFLVIUDH-UHFFFAOYSA-O	HMDB12154
4-Hydroxyphenylacetaldehyde	5.601918073	136.0523964	C03765	0	IPRPPFIAVHPVJH-UHFFFAOYSA-N	HMDB03767
Oxalate	17.82811195	89.99525897	C00209	LMFA01170031	MUBZPKHOEPUJKR-UHFFFAOYSA-N	HMDB02329
FA oxo(9:0) oxo-nonanoic acid	4.304432613	172.1099442	0	LMFA01060022	SHDOPXQMNJDYDK-UHFFFAOYSA-N	0
Hexanoyl-[acp]	5.009606507	167.0298464	C05749	LMFA07060039	0	0
4-Imidazolone-5-acetate	7.516171135	142.037812	C05133	0	HSZJBFGOEAJYFT-UHFFFAOYSA-N	0
Bakkenolide A	3.830891318	234.1618633	C09350	0	OVXAYHNZXBOVPV-QMGNLALYSA-N	0
Val-Pro	9.314473027	214.1316268	0	0	AWJGUZSYVIVZGP-YUMQZZPRSA-N	0
5-Oxopentanoate	5.62801293	116.0472657	C03273	LMFA01060161	VBKPPDYGFUZOAJ-UHFFFAOYSA-N	HMDB12233
Butanoic acid	6.939959602	88.05235772	C00246	LMFA01010004	FERIUCNNQQJTOY-UHFFFAOYSA-N	HMDB00039
FA methyl(6:0)	4.162555165	130.0993438	0	LMFA01020080	CVKMFSAVYPAZTQ-UHFFFAOYSA-N	0
(R)-2-Ethylmalate	14.88649889	162.052816	C02488	0	YVYGHRNLPUMVBU-ZCFIWIBFSA-N	0
Ala-Lys-Lys-Val	13.55485562	490.3105917	0	0	0	0
N-Acetyl-L-2-amino-6-oxopimelate	11.0561465	231.0742269	C05539	0	RVHKMLVNOXVQRH-LURJTMIESA-N	0
3-Propylmalate	11.83551642	176.0683596	C02123	LMFA01170064	LOLHYFQEDPGSHZ-AKGZTFGVSA-N	0
Phenylpyruvate	4.390247117	164.0473427	C00166	0	BTNMPGBKDVTSJY-UHFFFAOYSA-N	HMDB00205
FA (20:0)	3.469293665	312.302974	C06425	LMFA01010020	VKOBVWXKNCXXDE-UHFFFAOYSA-N	HMDB02212
2-Octenedioicacid	15.26521737	172.0735625	0	LMFA01170085	BNTPVRGYUHJFHN-HWKANZROSA-N	HMDB00341
2-hydroxy-4-carboxypyrimidine	12.3204037	140.022164	0	0	OEPPJKDEBZBNNG-UHFFFAOYSA-M	0
Benz[a]anthracene	5.563835442	228.0940201	C14317	0	DXBHBZVCASKNBY-UHFFFAOYSA-N	0
Swainsonine	10.62526878	173.1050999	C10173	0	FXUAIOOAOAVCGD-WCTZXXKLSA-N	0
FA(16:1)	3.543729817	254.2246439	C08362	LMFA01030056	SECPZKHBENQXJG-FPLPWBNLSA-N	HMDB03229
3-Methyl-2-oxobutanoic acid	7.549785653	116.0472656	C00141	LMFA01020274	QHKABHOOEWYVLI-UHFFFAOYSA-N	HMDB00019
3-Ethylmalate	15.86615943	162.0527644	C01989	0	JUCRENBZZQKFGK-UHFFFAOYSA-N	0
PG(36:2)	3.322379812	774.5406664	0	0	CZVJBYZXTBYGJR-XAODMQRJSA-N	0
FA methyl(12:0) dodecanoic acid	3.621183555	214.1933261	0	LMFA01020005	YETWOCQNUTWSQA-UHFFFAOYSA-N	0
N-carbamoyl-L-glutamate	13.82542752	190.0592068	0	0	LCQLHJZYVOQKHU-UHFFFAOYSA-L	0
2-Dehydro-3-deoxy-D-galactonate	14.44051319	178.0476299	C01216	0	WPAMZTWLKIDIOP-NQXXGFSBSA-N	0
D-Serine	13.39792013	105.0425242	C00740	0	MTCFGRXMJLQNBG-UWTATZPHSA-N	HMDB03406
Shikimate	13.51747247	174.0527435	C00493	0	JXOHGGNKMLTUBP-HSUXUTPPSA-N	HMDB03070
D-Galactose	11.45949223	180.0633481	C00124	0	WQZGKKKJIJFFOK-SVZMEOIVSA-N	HMDB00143
PE(36:2)	3.597376978	743.5477404	C00350	LMGP02010034	VHHMKXOBDPAFKC-HWQBUQMOSA-N	HMDB09026
L-Rhamnono-1,4-lactone	9.79793757	162.05275	C02991	0	VASLEPDZAKCNJX-KLVWXMOXSA-N	0
Sulfoacetate	18.38606812	139.9778535	C14179	0	AGGIJOLULBJGTQ-UHFFFAOYSA-N	0
FA oxo(18:0)	3.551929818	298.2509186	0	LMFA01060060	YQGGUZWHNVQJMF-UHFFFAOYSA-N	HMDB10736
Phenylacetic acid	4.481092753	136.052405	C07086	0	WLJVXDMOQOGPHL-UHFFFAOYSA-N	HMDB00209
D-Glucose	12.64773942	180.0634096	C00221	0	WQZGKKKJIJFFOK-GASJEMHNSA-N	HMDB00122
2-Isopropylmaleate	13.85591227	158.057863	C02631	0	NJMGRJLQRLFQQX-HYXAFXHYSA-N	HMDB12241
Glycerol	10.00470309	92.04724982	C00116	0	PEDCQBHIVMGVHV-UHFFFAOYSA-N	HMDB00131
(R)-3-Hydroxy-3-methyl-2-oxopentanoate	13.26288825	146.057866	C14463	0	YJVOWRAWFXRESP-ZCFIWIBFSA-N	0
Maleic acid	11.46801192	116.0109041	C01384	0	VZCYOOQTPOCHFL-UPHRSURJSA-N	HMDB00176
Succinate	15.03147702	118.0265627	C00042	LMFA01170043	KDYFGRWQOYBRFD-UHFFFAOYSA-N	HMDB00254
(S)-2-Acetolactate	14.25468944	132.0423601	C06010	0	NMDWGEGFJUBKLB-YFKPBYRVSA-N	HMDB06855
L-Erythrulose	10.24780306	120.0422279	C02045	0	UQPHVQVXLPRNCX-UHFFFAOYSA-N	HMDB06293
2,5-Dioxopentanoate	11.32900352	130.0265585	C00433	0	VHKNBDIQDAXGBL-UHFFFAOYSA-N	0
L-Rhamnose	9.858080782	164.0683903	C00507	0	SHZGCJCMOBCMKK-JFNONXLTSA-N	HMDB00849
4-Oxoglutaramate	8.207775843	145.0375021	C05572	0	UGKYJAWJZICPEX-UHFFFAOYSA-N	0
[FA trihydroxy(4:0)] 2,3,4-trihydroxy-butanoic acid	12.23813706	136.0371449	C01620	LMFA01050097	JPIJQSOTBSSVTP-UHFFFAOYSA-N	HMDB00943
6-Acetamido-2-oxohexanoate	4.942734273	187.0844196	C05548	0	NGCXIFFZXAZRAF-UHFFFAOYSA-N	HMDB12150
2-Oxoglutaramate_1	10.27467087	145.0374551	C00940	0	COJBGNAUUSNXHX-UHFFFAOYSA-N	HMDB01552
2-Oxoglutaramate	12.05983471	145.0374813	C00940	0	COJBGNAUUSNXHX-UHFFFAOYSA-N	HMDB01552
beta-Alanopine	7.397600732	159.0531059	C02207	0	OAWHMSFCLIYBHE-SCSAIBSYSA-N	0
2(alpha-D-Mannosyl)-D-glycerate	13.56049555	268.0796803	C11544	0	DDXCFDOPXBPUJC-SAYMMRJXSA-N	0
D-Erythrose	11.48491314	120.0422022	C01796	0	FMAORJIQYMIRHF-HERZVMAMSA-N	HMDB02649
4-Hydroxybutanoic acid	9.036768037	104.0472471	C00989	LMFA01050006	SJZRECIVHVDYJC-UHFFFAOYSA-N	HMDB00710
Quinate	12.36806341	192.0635096	C00296	0	AAWZDTNXLSGCEK-WYWMIBKRSA-N	HMDB03072
2-Hydroxy-3-oxoadipate	10.5428826	176.0321948	C03217	0	DVIFFQAOYQDXGL-UHFFFAOYSA-N	0
D-Erythrulose	14.30735207	120.0421902	C02022	0	UQPHVQVXLPRNCX-GSVOUGTGSA-N	0
D-Ribose	11.55836844	150.0528463	C00121	0	HMFHBZSHGGEWLO-SOOFDHNKSA-N	HMDB00283
Succinate semialdehyde	5.561970998	102.0315975	C00232	LMFA06000118	UIUJIQZEACWQSV-UHFFFAOYSA-N	HMDB01259
3-Deoxy-D-manno-octulosonate	13.64396461	238.0688167	C01187	0	KYQCXUMVJGMDNG-UHFFFAOYSA-N	0
(S)-Lactate	9.193007978	90.03161699	C00186	0	JVTAAEKCZFNVCJ-REOHCLBHSA-N	HMDB00190
Isovalerylalanine	5.459047852	173.1051215	0	0	OJPSNARFDYTAEN-LURJTMIESA-N	HMDB00747
L-xylo-Hexulonolactone	13.89912771	176.0321456	C03289	0	KRGQEOSDQHTZMX-GDGKWOGESA-N	0
2-Oxoglutarate	15.61232236	146.0214816	C00026	0	KPGXRSRHYNQIFN-UHFFFAOYSA-N	HMDB00208
FA (8:1)	4.027074068	142.0993677	0	LMFA01030018	CWMPPVPFLSZGCY-SREVYHEPSA-N	HMDB00392
alpha-Irone	3.81383028	206.1669958	C09690	0	JZQOJFLIJNRDHK-UZPJXDOOSA-N	0
[FA (11:0)] undecanoic acid	3.702840625	186.1619005	0	LMFA01010011	ZDPHROOEEOARMN-UHFFFAOYSA-N	HMDB00947
cis-Acetylacrylate	14.46868567	114.0316194	C07091	0	XGTKSWVCNVUVHG-IHWYPQMZSA-N	0
Pyruvate	7.88171995	88.01591812	C00022	LMFA01060077	LCTONWCANYUPML-UHFFFAOYSA-N	HMDB00243
L-cysteine sulfinate	14.10352297	153.0091638	0	0	WVMUCBHSEHBMKA-UHFFFAOYSA-N	0
D-Glucono-1,5-lactone	11.81695866	178.047713	C00198	0	PHOQVHQSTUBQQK-SQOUGZDYSA-N	HMDB00150
FA hydroxy(18:0)	3.54620987	300.2663744	0	LMFA01050054	KIHBGTRZFAVZRV-UHFFFAOYSA-N	0
Ascorbate	15.32336146	176.0320402	C00072	0	CIWBSHSKHKDKBQ-JLAZNSOCSA-N	HMDB00044
4-Coumarate	5.482379918	164.0473329	C00811	0	NGSWKAQJJWESNS-ZZXKWVIFSA-N	HMDB02035
Tetracosanoic acid	3.451177555	368.3650887	C08320	LMFA01010024	QZZGJDVWLFXDLK-UHFFFAOYSA-N	HMDB02003
N-Acetyl-beta-alanine	7.476137338	131.0581919	C01073	0	LJLLAWRMBZNPMO-UHFFFAOYSA-N	0
3-Dehydroquinate	15.09485495	190.0477021	C00944	0	WVMWZWGZRAXUBK-SYTVJDICSA-N	HMDB12710
D-Gluconic acid	13.78432322	196.0582541	C00257	0	RGHNJXZEOKUKBD-SQOUGZDYSA-N	HMDB00625
[FA amino,oxo(6:0/2:0)] 2-amino-3-oxo-hexanedioic acid	14.42369574	175.0479485	C05520	LMFA01100036	HXWZRYKURKEOSO-UHFFFAOYSA-N	0
trans-Aconitate	19.51461963	174.0165052	C02341	0	GTZCVFVGUGFEME-HNQUOIGGSA-N	HMDB00958
Zearalenone	3.439311433	318.1468913	C09981	LMPK04000016	MBMQEIFVQACCCH-QBODLPLBSA-N	0
chelidamate	15.06890283	183.0166915	0	0	XTLJJHGQACAZMS-UHFFFAOYSA-L	0
2-Oxoadipate	14.63844599	160.0372008	C00322	LMFA01170121	FGSBNBBHOZHUBO-UHFFFAOYSA-N	HMDB00225
Deoxyribose	8.403216667	134.0578893	C01801	0	PDWIQYODPROSQH-PYHARJCCSA-N	HMDB03224
Ile-His	8.811601895	268.1534389	0	0	0	0
3-Dehydro-L-gulonate	14.92662536	194.0426238	C00618	0	WTAHRPBPWHCMHW-LWKDLAHASA-N	HMDB06334
D-Galacturonate	14.45153632	194.0424593	C00333	0	AEMOLEFTQBMNLQ-YMDCURPLSA-N	0
3-Hydroxy-2-methylpyridine-4,5-dicarboxylate	15.57631739	197.0323795	C04604	0	LVJJEIJOKPHQOU-UHFFFAOYSA-N	HMDB06955
Furfural diethyl acetal	3.931903048	170.0942497	C14280	0	SEILDMUKBMYIEZ-UHFFFAOYSA-N	0
Hydroxypyruvate	15.64125865	104.0108971	C00168	0	HHDDCCUIIUWNGJ-UHFFFAOYSA-N	HMDB01352
D-Mannonate	13.31999744	196.0582721	C00514	0	RGHNJXZEOKUKBD-MBMOQRBOSA-M	0
FA hydroxy(16:0)] hexadecanoic acid	3.604012672	272.2349747	0	LMFA01050047	JGHSBPIZNUXPLA-UHFFFAOYSA-N	0
gamma-Amino-gamma-cyanobutanoate	13.59463967	128.0584356	C05715	LMFA01100037	DXWQLTOXWVWMOH-UHFFFAOYSA-N	0
2,3,4,5-Tetrahydrodipicolinate	13.75594811	171.0531178	C03972	0	CXMBCXQHOXUCEO-BYPYZUCNSA-N	HMDB12289
Ile-His-Lys	8.84400513	396.2484607	0	0	0	0
FA methyl(16:1)	3.545607398	268.2401142	0	LMFA01020203	DINXWFVSXJCVPK-JQIJEIRASA-N	0
gamma-Undecalactone	3.742632332	184.1462235	C08571	LMFA07040030	PHXATPHONSXBIL-JTQLQIEISA-N	0
Homoisocitrate	15.2567657	206.0426625	C05662	0	OEJZZCGRGVFWHK-WVZVXSGGSA-N	0
FA (19:1)	3.491096123	296.2712878	0	LMFA01030083	INKQLYSQWHBEGS-ISLYRVAYSA-N	0
Dihydroxycoprostanoicacid	13.19794508	233.0907925	0	0	RQPALADHFYHEHK-JKMUOGBPSA-N	HMDB01974
Ipomoeamarone	3.65050047	250.1568711	C09689	0	WOFDWNOSFDVCDF-CABCVRRESA-N	0
FA methyl (8:1)	3.85256597	156.1150321	0	LMFA01020103	GZECLTXOPLOEJY-SOFGYWHQSA-N	0
3,6-Dideoxy-L-galactose	6.325000717	148.0735114	C03348	0	KYPWIZMAJMNPMJ-OMMKOOBNSA-N	0
1,6-anhydro-N-acetylmuramate	12.20352623	275.1004238	0	0	ZFEGYUMHFZOYIY-NFSFVEDMSA-M	0
Sarmentosin	13.08605838	275.1004718	C08340	0	FWAYDNJCBHNWQD-JBWLPIRVSA-N	0
6-oxo-1,4,5,6-tetrahydronicotinate	8.349015478	141.0425853	C04226	0	SDKCWSUZEUBWLP-UHFFFAOYSA-N	0
4-Hydroxybenzoate	10.14861475	138.031443	C00156	0	FJKROLUGYXJWQN-UHFFFAOYSA-N	HMDB00500
2-Oxohept-3-enedioate	7.141088293	172.0371489	C03063	0	HYVSZVZMTYIHKF-IWQZZHSRSA-N	0
Docosanoic acid	3.463636385	340.333704	C08281	LMFA01010022	UKMSUNONTOPOIO-UHFFFAOYSA-N	HMDB00944
L-gamma-glutamyl-L-valine	12.04393028	246.1214467	0	0	AQAKHZVPOOGUCK-UHFFFAOYSA-N	HMDB11172
D-Tagaturonate	10.63748847	194.0426407	C00558	0	PTCIWUZVDIQTOW-QNZBUJBTSA-N	0
Adrenochrome	4.583658445	179.0581767	0	0	RPHLQSHHTJORHI-UHFFFAOYSA-N	HMDB12884
N-Formyl-L-glutamate	9.261348312	175.0480295	C01045	0	ADZLWSMFHHHOBV-BYPYZUCNSA-N	HMDB03470
2,5-Dioxopiperazine	11.36421079	114.0428978	C02777	0	BXRNXXXXHLBUKK-UHFFFAOYSA-N	0
3-Cyano-L-alanine	11.8178474	114.0428945	C02512	0	BXRLWGXPSRYJDZ-VKHMYHEASA-N	0
1-Aminocyclopropane-1-carboxylate	12.90391152	101.0476331	C01234	0	PAJPWUMXBYXFCZ-UHFFFAOYSA-N	0
Dihydro-4,4-dimethyl-2,3-Furandione	8.058358687	128.0473192	C01125	0	HRTOQFBQOFIFEE-UHFFFAOYSA-N	0
D-Xylose	15.974989	150.0527974	C00181	0	SRBFZHDQGSBBOR-IOVATXLUSA-N	HMDB00098
succinamate	9.062493402	117.0426394	0	0	JDVPQXZIJDEHAN-UHFFFAOYSA-M	0
[FA oxo(6:0)] N-(3-oxo-hexanoyl)-homoserine lactone	4.436207982	213.1001549	C11839	LMFA08030003	YRYOXRMDHALAFL-UHFFFAOYSA-N	0
2-hydroxy-3-carboxy-4,5-cyclopropylhex-5-enoate	13.25670984	186.0527926	0	0	HEWAJTLQEJUAGF-UHFFFAOYSA-L	0
2-Aminobutan-4-olide	11.06359249	101.047623	C02926	0	QJPWUUJVYOJNMH-UHFFFAOYSA-N	0
FA oxo(13:0) tridecanoic acid	3.651974777	228.1727106	0	LMFA01060041	ICUSPHFFJKGZCW-UHFFFAOYSA-N	0
N-Acetyl-D-glucosamine 6-phosphate	14.23977564	301.0559611	C00357	0	BRGMHAYQAZFZDJ-RTRLPJTCSA-N	HMDB01062
2-Aminomuconate	15.3486716	203.0427694	C02220	LMFA01170082	ZRHONLCTYUYMIQ-HSFFGMMNSA-N	HMDB01241
AMP	12.50225423	347.0628707	C00020	0	UDMBCSSLTHHNCD-KQYNXXCUSA-N	HMDB00045
2,3,6-Trihydroxypyridine	15.50993052	173.0323975	C03458	0	YXJHZIOEJRCYHK-UHFFFAOYSA-N	0
Hydantoin-5-propionate	14.99573705	172.0483939	C05565	0	VWFWNXQAMGDPGG-UHFFFAOYSA-N	HMDB01212
FA hydroxy(10:0)	3.799461113	188.1411574	0	LMFA01050029	GHPVDCPCKSNJDR-UHFFFAOYSA-N	0
4-Methylene-L-glutamate	15.06461013	205.0586253	C00651	0	RCCMXKJGURLWPB-BYPYZUCNSA-N	0
N-Formimino-L-aspartate	12.12266336	160.0483348	C03409	0	XTPIFIMCFHNJOH-VKHMYHEASA-N	0
FA (12:1) dodecenoic acid	3.64455633	198.1619015	0	LMFA01030037	PAWGRNGPMLVJQH-ZHACJKMWSA-N	HMDB10729
me-iP	8.137376268	216.1371923	0	0	ARJBIAHZHYEFJG-UHFFFAOYSA-N	0
[6]-Paradol	3.574713167	278.1877904	C10482	0	CZNLTCTYLMYLHL-UHFFFAOYSA-N	0
Met-Cys-Ser	11.77251597	339.0921133	0	0	0	0
2,4-diacetamido-2,4,6-trideoxy-beta-L-altropyranose	9.906418065	246.1212983	0	0	0	0
N-Formyl-L-aspartate	15.36579095	161.0323713	C01044	0	MQUUQXIFCBBFDP-VKHMYHEASA-N	0
L-Dehydroascorbate	15.38085989	174.0164191	C05422	0	SBJKKFFYIZUCET-JLAZNSOCSA-N	HMDB01264
3-(4-Hydroxyphenyl)pyruvate	7.680697012	180.0422164	C01179	0	KKADPXVIOXHVKN-UHFFFAOYSA-N	HMDB00707
(S)-Dihydroorotate	10.89001089	158.0326509	C00337	0	UFIVEPVSAGBUSI-REOHCLBHSA-N	HMDB00528
Aminocarb	3.908338547	208.1210144	C11071	0	IMIDOCRTMDIQIJ-UHFFFAOYSA-N	0
Fagaramide	3.870775743	293.1262962	C10455	0	WKWYNAMJWDRHBP-GQCTYLIASA-N	0
Ala-Asp	14.31990016	204.0744193	0	0	XAEWTDMGFGHWFK-IMJSIDKUSA-N	0
Sedoheptulose	11.1523444	210.0738548	C02076	0	HAIWUXASLYEWLM-QTSLKERKSA-N	HMDB03219
N3-(4-methoxyfumaroyl)-L-2,3-diaminopropanoate	12.12226143	216.0745738	0	0	IXTGTEFAVXEHRV-HRJJCQLASA-N	0
3'-AMP	12.00025878	347.062892	C01367	0	LNQVTSROQXJCDD-KQYNXXCUSA-N	HMDB03540
isopropyl beta;-D-galactopyranoside	9.983102117	222.1108343	0	0	0	0
Porphobilinogen	9.39620423	226.0954228	C00931	0	QSHWIQZFGQKFMA-UHFFFAOYSA-N	HMDB00245
leu-FMDP	12.28617998	329.1584171	0	0	LBQHWKXYCPTTPS-WTPAVHSTSA-N	0
D-Glycerate	11.59508656	106.0265439	C00258	0	RBNPOMFGQQGHHO-UWTATZPHSA-N	HMDB00139
Isovalerylglutamicacid	10.26029629	231.1105941	0	0	HCVIJONZMYVLAW-ZETCQYMHSA-N	HMDB00726
beta-D-Sedoheptulopyranose	13.45815215	210.0739505	C08355	0	HAIWUXASLYEWLM-BNWJMWRWSA-N	0
FA hydroxy(18:1)]	3.668811012	314.2455889	0	LMFA01050126	XEBKSQSGNGRGDW-JXMROGBWSA-N	0
Daminozide	8.655941343	160.0848075	C10996	0	NOQGZXFMHARMLW-UHFFFAOYSA-N	0
[FA (6:0)] hexanal	3.876116673	100.088755	C02373	LMFA06000109	JARKCYVAAOWBJS-UHFFFAOYSA-N	HMDB05994
5-L-Glutamylglycine	15.13936061	204.074589	0	0	ACIJGUBIMXQCMF-BYPYZUCNSA-N	HMDB11667
L-Arogenate	13.72723054	227.079654	C00826	0	MIEILDYWGANZNH-DSQUFTABSA-N	0
(S)-ACPA	10.69570075	214.0589198	C13673	0	JDNMYUBSFDGCSX-YFKPBYRVSA-N	0
2-amino-3,7-dideoxy-D-threo-hept-6-ulosonate	12.0805946	191.0793222	0	0	0	0
6-Acetyl-D-glucose	15.85072956	222.0738712	C02655	0	ILLOJQCWUBEHBA-JAJWTYFOSA-N	0
A-Ketoglutaricacidoxime	12.36067979	161.0323202	0	0	RSXBEVMDACDZRB-ZZXKWVIFSA-N	HMDB02467
O-Oxalylhomoserine	15.64509852	191.0429302	C08294	0	VKKDEHWBBKSWQQ-VKHMYHEASA-N	0
8-Hydroxy-7-methylguanine	11.66725961	181.0598399	0	0	VHPXSVXJBWZORQ-UHFFFAOYSA-N	HMDB06037
alpha;-(2,6-anhydro-3-deoxy-D-arabino-heptulopyranosid)onate 7-phosphate	22.21350725	272.0296677	0	0	0	0
(R,R)-Tartaric acid	17.1800554	150.0163863	C00898	0	FEWJPZIEWOKRBE-UHFFFAOYSA-N	HMDB00956
(Z)-But-2-ene-1,2,3-tricarboxylate	17.03099975	188.0320666	C04225	0	NUZLRKBHOBPTQV-ARJAWSKDSA-N	HMDB06357
[FA (26:0/2:0)] Hexacosanedioic acid	3.39907588	426.3709661	0	LMFA01170040	JJWZFUFNJNGKAF-UHFFFAOYSA-N	0
[FA dimethyl(13:0)] 2,5-dimethyl-2E-tridecenoic acid	3.564786213	240.2086927	0	LMFA01020109	GEHLKZFXBXCLPH-WYMLVPIESA-N	0
[ST dimethyl(4:0/3:0)] (5Z,7E,17Z)-(1S,3R)-26,27-dimethyl-9,10-seco-5,7,10(19),17(20)-cholestatetraen-22-yne-1,3,25-triol	3.344215427	474.2894091	0	LMST03020391	UENVSUKLKMJWQW-IGELHMHJSA-N	0
1-(5'-Phosphoribosyl)-5-amino-4-(N-succinocarboxamide)-imidazole	8.15938661	500.0779759	C04823	0	NAQGHJTUZRHGAC-ZZZDFHIKSA-N	HMDB00797
1-(beta-D-Ribofuranosyl)-1,4-dihydronicotinamide	12.19895592	256.1058267	C15497	0	MAKBMGXNXXXBFE-TURQNECASA-N	HMDB11648
1-(p-butylphenyl)-2,2-dimethyl-4,6-diamino-1,2-dihydro-s-triazine	5.430752798	319.2003125	0	0	0	0
1,4-Bis(2-ethylhexyl) sulfosuccinate	3.405577133	422.2333581	C07874	0	HNSDLXPSAYFUHK-UHFFFAOYSA-N	0
11-beta-hydroxyandrosterone-3-glucuronide	3.759202432	482.2522026	0	LMST05010030	BRPLOVMHAFXVOQ-HUMIJZDLSA-N	HMDB10351
1-4-b-D-Mannan	18.49204365	819.2692849	C02492	0	RJQKKZNUWRIHCS-YDPWGIMBSA-N	HMDB06798
15-Keto-prostaglandinE2	3.798734617	386.185226	C04707	LMFA03010030	YRTJDWROBKPZNV-KMXMBPPJSA-N	HMDB03175
15S-hydroxy,14R-(S-cysteinyl)-5Z,8Z,10E,12E-eicosatetraenoic acid	3.738562813	438.2542544	0	LMFA03020033	NZPQBUWHYVARDO-HRXVJLLUSA-N	0
1H-Imidazole-4-ethanamine	12.33991388	157.0850849	C00388	0	NTYJJOPFIAHURM-UHFFFAOYSA-N	HMDB00870
2-(sulfomethyl)thiazolidine-4-carboxylate	17.09605577	272.9976682	0	0	HYGZRLVEUKTESI-WUCPZUCCSA-L	0
2',3'-Cyclic AMP	8.046462308	329.05228	C02353	0	KMYWVDDIPVNLME-KQYNXXCUSA-N	HMDB11616
2',3'-Cyclic CMP	11.94691156	305.0412424	C02354	0	NMPZCCZXCOMSDQ-XVFCMESISA-N	0
2',3'-Cyclic UMP	10.1986628	306.0251144	C02355	0	HWDMHJDYMFRXOX-XVFCMESISA-N	HMDB11640
2,7-Anhydro-alpha-N-acetylneuraminic acid	12.01746072	291.0953083	C04521	0	NCMJSVDTRDLWJE-GSQQXRCOSA-N	0
2-[3-Ethyl-5-(4-methoxyphenyl)-1H-pyrazol-4-yl]phenol	4.337361552	294.136642	C15193	0	ODGRMKHYFIFZML-UHFFFAOYSA-N	0
2-5-Furandicarboxylicacid	18.51414107	156.0058698	0	0	CHTHALBTIRVDBM-UHFFFAOYSA-N	HMDB04812
2-C-Methyl-D-erythritol 4-phosphate_1	13.40653561	216.0400789	C11434	0	XMWHRVNVKDKBRG-UHNVWZDZSA-N	0
2-C-Methyl-D-erythritol 4-phosphate	13.96763508	216.0400397	C11434	0	XMWHRVNVKDKBRG-UHNVWZDZSA-N	0
2-Deoxy-D-ribose 5-phosphate	13.34339545	214.0241309	C00673	0	KKZFLSZAWCYPOC-PYHARJCCSA-N	HMDB01031
2-deoxyglucose-6-phosphate	12.25247689	246.0506251	0	0	VVBOYOOUAHKCCJ-PBXRRBTRSA-N	0
2-Hydroxymalonate	17.22761095	120.0058037	C02287	0	ROBFUDYVXSDBQM-UHFFFAOYSA-L	0
2-Methylbutyroylcarnitine	3.894514515	245.1625469	0	0	IHCPDBBYTYJYIL-UHFFFAOYSA-N	HMDB00378
2-Methylcitrate	17.50537517	206.0426334	C02225	0	YNOXCRMFGMSKIJ-WVBDSBKLSA-N	HMDB00379
2-Oxosuccinamate	9.904473543	131.0217933	C02362	0	ONGPAWNLFDCRJE-UHFFFAOYSA-N	0
3-(4-Hydroxyphenyl)lactate	8.655146982	182.0577535	C03672	0	JVGVDSSUAVXRDY-UHFFFAOYSA-N	HMDB00755
3,4-Dihydroxyphenylacetate	10.76426991	168.0420458	C01161	0	CFFZDZCDUFSOFZ-UHFFFAOYSA-N	HMDB01336
3',5'-Cyclic GMP	12.19592767	345.0472103	C00942	0	ZOOGRGPOEVQQDX-UUOKFMHZSA-N	HMDB01314
3'-Demethoxypiplartine	3.694145513	289.1316419	C10444	0	YQXUGVCMIWBNGS-VQHVLOKHSA-N	0
3-Ketosucrose	10.25794038	340.1003033	C05731	0	CUKZGOBWGGOLIQ-QRDRGOPVSA-N	0
3-Oxododecanoic acid	3.747694718	214.1571144	C02367	LMFA01060091	DZHSPYMHDVROSM-UHFFFAOYSA-N	HMDB10727
3-Oxohexobarbital	8.144045378	250.0957809	C02517	0	QRBUUDMCIOVDKY-UHFFFAOYSA-N	0
3-Phospho-D-glycerate	16.91591662	185.9927584	C00197	0	OSJPPGNTCRNQQC-UWTATZPHSA-N	HMDB00807
3'-Sialyllactose	13.70248673	633.2115787	0	0	OIZGSVFYNBZVIK-FHHHURIISA-N	HMDB00825
3-sulfopropanoate	16.62421439	153.9935101	0	0	0	0
4-(Dimethylamino)azobenzene	3.672536918	261.1033821	C03764	0	JCYPECIVGRXBMO-UHFFFAOYSA-N	0
4-Hydroxy-4-methylglutamate	16.38136953	177.0636722	C06034	0	ONTAOGAXMOTXQW-DZSWIPIPSA-N	0
4-Maleylacetoacetate	15.19320904	200.0320144	C01036	LMFA01170114	GACSIVHAIFQKTC-UPHRSURJSA-N	HMDB02052
4-Nitrophenol-alpha-D-galactopyranoside	13.13219177	301.079874	C04452	0	IFBHRQDFSNCLOZ-YBXAARCKSA-N	0
4-oxo-N-acetylneuraminate	15.30561459	307.0900935	0	0	PJXPCJRMEMWUFY-MJXNYTJMSA-M	0
5-(L-Alanin-3-yl)-2-hydroxy-cis,cis-muconate 6-semialdehyde	15.33655105	229.0585464	C04797	LMFA01170073	OAPFPZKGGMKELA-WEBQFGJISA-N	0
5,10-Methylenetetrahydrofolate	14.02282966	457.1699	C00143	0	QYNUQALWYRSVHF-PZORYLMUSA-N	HMDB01533
5,6-Dihydroxy-3-methyl-2-oxo-1,2-dihydroquinoline	4.537860248	237.0637773	C06725	0	IYHQVDIUZANYNW-UHFFFAOYSA-N	0
5,6-Dihydroxyindole-2-carboxylate	18.63444345	239.0430196	C04185	0	YFTGOBNOJKXZJC-UHFFFAOYSA-N	HMDB01253
5beta-Cyprinolsulfate	4.458744465	568.2841593	C05468	LMST05020004	KAOLEMQCYWHOJQ-YCCSZJEMSA-N	HMDB06888
5'-Dehydroadenosine	9.723938158	265.0812065	C11500	0	CWNMDMYGRVHXDR-KQYNXXCUSA-N	0
5-Hydroxy-N-formylkynurenine	8.601916372	252.0746876	C05648	0	LSTOUSIIVKMJBU-QMMMGPOBSA-N	HMDB04086
5-Methylcytidine	10.20962869	257.1011756	0	0	ZAYHVCMSTBRABG-JXOAFFINSA-N	HMDB00982
5'-Phosphoribosyl-N-formylglycinamide	16.57589434	360.0571024	C04376	0	VDXLUNDMVKSKHO-AYZDMWBASA-N	HMDB01308
6-(alpha-D-Glucosaminyl)-1D-myo-inositol 1,2-cyclic phosphate	11.07742922	449.0926928	C16070	0	ZULNQPCZALKHMF-LBZOJLJLSA-N	0
6-Bromo-5E,9Z,13Z,24Z-heptacosatetraenoic acid	5.466368972	466.2456732	0	LMFA01090105	REENJHAXVDBJPL-PTVSRFBUSA-N	0
6-Phospho-D-gluconate	17.622583	276.0248023	C00345	0	BIRSGZKFKXLSJQ-SQOUGZDYSA-N	HMDB01316
7-Deoxypancratistatin	13.05947738	309.0851373	C12255	0	GVGWJJOWWDRYOF-DZDPUUJWSA-N	0
9-methylthiononylhydroximoyl-cysteinylglycine	3.943747653	379.1593226	0	0	0	0
Ala-Ala-Asn-Asp	15.00601793	389.1550034	0	0	0	0
Ala-Ala-Asp-His	10.95919299	412.1706605	0	0	0	0
Ala-Ala-Gly	16.67114318	217.1062458	0	0	0	0
Ala-Ala-Pro-His	15.22406436	394.1965253	0	0	0	0
Ala-Arg-Arg-His	16.51307689	538.3089056	0	0	0	0
Ala-Asn	12.82786423	203.0902387	0	0	0	0
Ala-Asn-Asp-Gly	15.29463797	375.13878	0	0	0	0
Ala-Asn-Gln-Ser	14.4329515	418.1811899	0	0	0	0
Ala-Asn-Gly-Ser	13.70684484	347.1444571	0	0	0	0
Ala-Asp-Pro	12.53459925	301.1274221	0	0	0	0
Ala-Asp-Ser	15.29528383	291.1070863	0	0	0	0
Ala-Asp-Ser-Arg	18.26811717	447.2067046	0	0	0	0
Ala-Gln-Gln-Ser	14.27191794	432.1964082	0	0	0	0
Ala-Glu-Ala-Ile	10.61641874	402.2112301	0	0	0	0
Ala-Glu-Asn-Ile	17.21745257	445.2169144	0	0	0	0
Ala-Glu-Asp-Ile	10.94695259	446.2010657	0	0	0	0
Ala-Glu-Glu-Gly	16.42291052	404.1537809	0	0	0	0
Ala-Glu-Glu-Met	14.14387614	478.1728778	0	0	0	0
Ala-Glu-Glu-Tyr	10.42096921	510.1961304	0	0	0	0
Ala-Glu-Ile-Ser	8.028567708	418.2061885	0	0	0	0
Ala-Glu-Ile-Thr	9.1724977	432.2217161	0	0	0	0
Ala-Glu-Ile-Tyr	8.478072533	494.23786	0	0	0	0
Ala-Gly-Arg	16.32474667	302.1703478	0	0	0	0
Ala-Gly-Gly	13.65787161	203.090675	0	0	0	0
Ala-Gly-Ser	12.49413869	233.1006164	0	0	0	0
Ala-Gly-Tyr	15.24634023	309.1320269	0	0	0	0
Ala-Leu-Ala-Asp	11.24550716	388.1959941	0	0	0	0
Ala-Leu-Asn-Pro	7.802814878	413.2271616	0	0	0	0
Ala-Leu-Asn-Ser	15.71153048	403.2063804	0	0	0	0
Ala-Leu-Asp-Asp	14.47873208	432.1850724	0	0	0	0
Ala-Leu-Asp-Gly	11.0671798	374.1791804	0	0	0	0
Ala-Leu-Asp-Tyr	9.143738467	480.2216596	0	0	0	0
Ala-Leu-Cys-Gln	16.85580007	433.1992413	0	0	0	0
Ala-Leu-Ser-Ser	14.99608253	376.1954336	0	0	0	0
Ala-Leu-Thr-His	12.73045157	440.2372615	0	0	0	0
Ala-Leu-Thr-Tyr	8.1358772	466.2425638	0	0	0	0
Ala-Leu-Trp-Asn	12.576476	502.2533383	0	0	0	0
Ala-Lys-Ala-Asn	12.12748559	402.2221161	0	0	0	0
Ala-Met-Cys-His	15.56078438	460.1568213	0	0	0	0
Ala-Met-Cys-Pro	12.35206052	420.1497293	0	0	0	0
Ala-Met-Phe-Ala	14.97312669	474.1696613	0	0	0	0
Ala-Met-Thr-Asp	8.633491563	436.1622501	0	0	0	0
Ala-Phe-Val-Ala	12.87858486	406.2214062	0	0	0	0
Ala-Pro-Ser	15.17531928	273.1321609	0	0	0	0
Ala-Ser	12.25737173	176.0795868	0	0	0	0
Ala-Ser-Ser-His	11.50451846	400.1704802	0	0	0	0
Ala-Ser-Ser-Tyr	14.03347279	472.1802041	0	0	0	0
Ala-Thr-Ala-His	17.49294468	398.1912466	0	0	0	0
Ala-Thr-Asp-Gln	13.56151488	433.1800541	0	0	0	0
Ala-Thr-Gln-Tyr	12.83347694	481.2174444	0	0	0	0
Ala-Thr-Thr-Ala	15.6054475	362.1798266	0	0	0	0
Ala-Trp-Asp-Arg	23.14283585	546.2565824	0	0	0	0
Ala-Trp-Gly-Arg	12.20826128	488.2493292	0	0	0	0
Ala-Val-Gly-Ser	15.70733899	332.1691803	0	0	0	0
Ala-Val-Pro-Ser	14.91299431	372.2005005	0	0	0	0
Ala-Val-Tyr-Arg	12.01091877	507.2800922	0	0	0	0
alpha,alpha'-Trehalose 6-phosphate	16.02045955	422.0820661	C00689	0	LABSPYBHMPDTEL-LIZSDCNHSA-N	HMDB01124
Arg-Gln-Gln-Tyr	11.95764803	593.2906108	0	0	0	0
Arg-Glu-Glu-Phe	14.49929356	579.265292	0	0	0	0
Arg-Glu-Glu-Thr	12.34476746	533.2446136	0	0	0	0
Arg-Glu-Ile-Ser	11.44691309	503.2698635	0	0	0	0
Arg-Leu-Lys-Asp	15.93365836	530.3170401	0	0	0	0
Arg-Leu-Ser-Tyr	13.74940877	583.2952387	0	0	0	0
Arg-Met-Phe-Trp	15.7894351	674.2756836	0	0	0	0
Arg-Phe-Phe-Cys	16.0399492	617.2643741	0	0	0	0
Arg-Pro-His-His	14.80321019	545.2816885	0	0	0	0
Arg-Thr-Asp-Tyr	14.75688924	553.2493669	0	0	0	0
Arg-Thr-Gln-Tyr	21.54794963	566.2807766	0	0	0	0
Arg-Thr-Trp-Gln	12.26016769	589.2957402	0	0	0	0
Arg-Val-Asp-Pro	20.5774662	485.259928	0	0	0	0
Arg-Val-Tyr-Arg	12.73933799	592.3427685	0	0	0	0
Asn-Asn-Ser-Tyr	10.76973207	496.1905229	0	0	0	0
Asn-Glu-Asp-Ile	12.26273076	489.2067646	0	0	0	0
Asn-Glu-Ile-Ser	12.37490227	461.2115932	0	0	0	0
Asn-Glu-Ile-Trp	7.836283843	560.2587479	0	0	0	0
Asn-Gly-Ser-His	12.84062274	413.1648061	0	0	0	0
Asn-Ile-Gln-Ile	7.500954872	486.2798356	0	0	0	0
Asn-Leu-Trp-Ser	8.015042803	518.2491302	0	0	0	0
Asn-Lys-Asn-Pro	21.05814357	471.2435627	0	0	0	0
Asn-Lys-Gly-Ser	14.91798005	404.2016122	0	0	0	0
Asn-Met-Trp-His	18.99137182	622.2084207	0	0	0	0
Asn-Thr-Gln-Pro	11.78421844	458.2123825	0	0	0	0
Asn-Trp-Val-His	10.98614511	554.2589202	0	0	0	0
Asn-Trp-Val-Pro	8.13239412	514.2529939	0	0	0	0
Asp-Asp-Asp-Pro	14.97668537	460.1427941	0	0	0	0
Asp-Asp-His-His	15.42693081	522.1834492	0	0	0	0
Asp-Cys-Cys-Ser	16.49821668	426.0874854	0	0	0	0
Asp-Glu-Gly-Ile	10.99054382	432.1853581	0	0	0	0
Asp-Glu-Ile-Leu	12.75606563	488.248217	0	0	0	0
Asp-Glu-Ile-Phe	11.28956977	522.2325145	0	0	0	0
Asp-Glu-Ile-Ser	15.30054334	462.1962539	0	0	0	0
Asp-Glu-Ile-Thr	10.51514231	476.211334	0	0	0	0
Asp-Gly-Ser-His	12.35252181	414.1495956	0	0	0	0
Asp-Ile-Asp-Ile	11.03852176	474.2323094	0	0	0	0
Asp-Leu-Gly-Ser	16.18021123	390.1745932	0	0	0	0
Asp-Leu-Leu-Asp	13.00437744	474.2320837	0	0	0	0
Asp-Leu-Leu-Ser	9.665245675	446.2371474	0	0	0	0
Asp-Leu-Leu-Thr	11.25148456	506.2579283	0	0	0	0
Asp-Leu-Lys-His	14.55176107	511.2752907	0	0	0	0
Asp-Leu-Lys-Lys	16.62655103	502.3111985	0	0	0	0
Asp-Leu-Lys-Thr	13.12074047	475.2653769	0	0	0	0
Asp-Leu-Met-Thr	7.430682083	478.2091809	0	0	0	0
Asp-Leu-Ser-His	14.93832162	470.212083	0	0	0	0
Asp-Leu-Thr-Thr	8.14361458	448.216772	0	0	0	0
Asp-Lys-Trp-Gln	14.93572333	575.269859	0	0	0	0
Asp-Lys-Tyr-Tyr	10.78966778	633.2647125	0	0	0	0
Asp-Met-Phe-Val	15.90388797	546.1904789	0	0	0	0
Asp-Met-Pro-His_1	15.11642309	498.1888193	0	0	0	0
Asp-Met-Pro-His	15.78046201	498.1889062	0	0	0	0
Asp-Met-Thr-Ser	10.54836745	452.1574229	0	0	0	0
Asp-Met-Thr-Thr	10.65211693	466.173285	0	0	0	0
Asp-Phe-Thr-Thr	9.304215917	482.201426	0	0	0	0
Asp-Pro-Pro-Ser	10.89612386	414.1748219	0	0	0	0
Asp-Thr-Thr-Asp	17.22752787	450.1595344	0	0	0	0
Asp-Thr-Thr-Val	12.27763666	434.2008477	0	0	0	0
Asp-Tyr-Tyr	11.90787152	459.1636772	0	0	0	0
Asp-Tyr-Tyr-His	23.1848461	596.2218504	0	0	0	0
Asp-Val-Asp-Pro	9.334351603	444.1856644	0	0	0	0
Asp-Val-Gly-Pro	15.08388253	386.1795552	0	0	0	0
Asp-Val-Pro-His	15.0937649	466.2170808	0	0	0	0
Benzidine	8.44722459	184.0998255	C16444	0	HFACYLZERDEVSX-UHFFFAOYSA-N	0
Berberastine	16.37438831	351.1105947	C09360	0	VFCGRXCCUHLLIP-UHFFFAOYSA-N	0
Bis-D-fructose 2',1:2,1'-dianhydride	12.29859176	324.1054957	C04333	0	DKOQIDXJOZQKIG-IYDDCBTQSA-N	0
Boc-Asn	7.718784375	232.1059289	C01410	0	FYYSQDHBALBGHX-YFKPBYRVSA-N	0
Camoensine	5.982958818	276.1473871	C10758	0	BQLVLWNCTINETI-HTAVTVPLSA-N	0
Cantleyine	4.470837568	207.0897021	C09933	0	MJGLQDXKEOEIFB-LDWIPMOCSA-N	0
Cardiospermin	11.78658228	321.1056101	C08328	0	MQTLCYHUTVTHFO-MPVQUNCYSA-N	0
Celloheptaose	17.91551875	1152.379801	C06216	0	BNABBHGYYMZMOA-IIXPINMKSA-N	0
Cellohexaose	17.35027737	990.3273216	C06217	0	OCIBBXPLUVYKCH-FYTDUCIRSA-N	0
cis-Aconitate	18.11654912	174.0163946	C00417	0	GTZCVFVGUGFEME-IWQZZHSRSA-N	HMDB00072
Clavaminic acid	13.59525294	198.0635875	C06660	0	GQHALSXZONOXGJ-WHJCQOFKSA-N	0
Clavulanic acid	15.16134047	199.0480154	C06662	0	HZZVJAQRINQKSD-PBFISZAISA-N	0
Convoline	3.952779808	307.1420368	C10855	0	QKXIPWXFQDIWOM-UHFFFAOYSA-N	0
Cyanazine	4.360230543	240.0897128	C14299	0	MZZBPDKVEFVLFF-UHFFFAOYSA-N	0
Cys-Cys-Gln-Pro	15.2005855	449.1410654	0	0	0	0
Cys-His-His-His	15.9330798	568.1725506	0	0	0	0
Cys-Met-Gly-Ser	7.61037359	396.1133928	0	0	0	0
Cys-Met-Thr-Ser	10.98004257	440.1401037	0	0	0	0
Cystathionine	16.75636357	222.0668975	C00542	0	ILRYLPWNYFXEMH-UHFFFAOYSA-N	HMDB00455
Cys-Trp-Cys-Gly	14.97572698	467.1303277	0	0	0	0
D-Arabinonate	13.35954407	166.0476505	C00878	0	QXKAIJAYHKCRRA-JJYYJPOSSA-M	0
decanamide	3.618480257	171.1622589	0	LMFA08010005	TUTWLYPCGCUWQI-UHFFFAOYSA-N	0
Deoxyguanidinoproclavaminic acid	14.21693461	228.1222927	C06656	0	UYADDEKIZFRINK-LURJTMIESA-N	0
D-Glucosamine	16.1116762	179.0793249	C00329	0	MSWZFWKMSRAUBD-IVMDWMLBSA-N	HMDB01514
D-Glucose 6-phosphate	16.49435368	260.0298232	C00092	0	NBSCHQHZLSJFNQ-GASJEMHNSA-N	HMDB01401
D-Glucuronate	16.48096231	194.0425333	C00191	0	AEMOLEFTQBMNLQ-AQKNRBDQSA-N	HMDB00127
D-Phe-Pro-Arg-CH2Cl	8.312109195	450.2146718	C02828	0	KWPACVJPAFGBEQ-BRWVUGGUSA-N	0
D-Ribose 5-phosphate	15.38028186	230.0192313	C00117	0	KTVPXOYAKDPRHY-SOOFDHNKSA-N	HMDB01548
D-Sedoheptulose 7-phosphate	15.8571387	290.040213	C05382	0	JDTUMPKOJBQPKX-UHFFFAOYSA-N	0
D-Xylonate	12.4510502	166.0475789	C00502	0	QXKAIJAYHKCRRA-RUVKFHFMSA-M	0
Elastin	12.84562484	552.3630692	C00373	0	DPUYCSDGMSDKKV-MKBYFEBXSA-N	0
Ethanolamine phosphate	15.16135229	141.0190539	C00346	0	SUHOOTKUPISOBE-UHFFFAOYSA-N	HMDB00224
FA (13:1) tridecenoic acid	3.640243398	212.1775735	0	LMFA01030044	GQVYBECSNBLQJV-VAWYXSNFSA-N	0
FA (14:1) tetradecenoic acid	3.575137505	226.1930809	0	LMFA01030047	IBYFOBGPNPINBU-OUKQBFOZSA-N	HMDB10732
formycin A	12.26807763	269.112394	0	0	SIVHFRZJFCASNV-JPWDWCJRSA-N	0
furaneol glucopyranoside	12.72606607	306.0946513	0	0	VIVUUBYKBXDNAJ-QPLYKKBVSA-N	0
gamma-Glutamyl-beta-cyanoalanine	12.08465872	243.0854769	C05711	0	QUAADUAOVLZBJM-UHFFFAOYSA-N	0
gamma-glutamyl-p-nitroanilide	10.30349339	267.085062	0	0	WMZTYIRRBCGARG-VIFPVBQESA-N	0
Gentioflavine	4.515964482	193.0738122	C09962	0	GLNRAZLQBMAROT-UHFFFAOYSA-N	0
Gln-Gln-Pro-Pro	10.24919183	468.2327634	0	0	0	0
Gln-Ile-Gln-Ile	7.418162842	500.295925	0	0	0	0
Gln-Ile-Ile-Tyr	9.907304343	535.3002532	0	0	0	0
Gln-KPA	15.56546309	473.1411375	0	0	CJELOTFKVVIGSB-SWHQBSNRSA-M	0
Gln-Leu-Met-Gln	7.509782802	518.2512647	0	0	0	0
Gln-Lys-Pro-Pro	12.67207041	468.2692153	0	0	0	0
Gln-Phe-Phe-Tyr	16.05832441	639.2461951	0	0	0	0
Gln-Pro	15.51661252	243.1221076	0	0	0	0
Glu-Ala-Ala	13.50248408	289.1273044	0	0	0	0
Glu-Ala-Asp	17.35145848	333.117341	0	0	0	0
Glu-Ala-Gln-Gln	22.27974278	474.2086996	0	0	0	0
Glu-Ala-Gly-His	13.60448441	412.1705023	0	0	0	0
Glu-Ala-Thr	16.73165548	319.1378158	0	0	0	0
Glu-Ala-Tyr	9.392037182	381.1531133	0	0	0	0
Glu-Asp-Ile	13.8649477	375.1646027	0	0	0	0
Glu-Asp-Met	15.32830743	393.1204607	0	0	0	0
Glu-Asp-Pro-Tyr	9.162893567	522.1959937	0	0	0	0
Glu-Asp-Trp	15.62437331	448.1596288	0	0	0	0
Glu-Cys-Cys	11.01479667	353.0713466	0	0	0	0
Glu-Glu-Gln-Ile	13.80566346	517.2381907	0	0	0	0
Glu-Glu-Gln-Phe	11.13595539	551.2224557	0	0	0	0
Glu-Glu-His	14.9404497	413.1534411	0	0	0	0
Glu-Glu-His-Ile	10.85340536	526.2377491	0	0	0	0
Glu-Glu-Ile-Tyr	12.60474946	552.2435472	0	0	0	0
Glu-Glu-Ile-Val	11.11777303	488.2487777	0	0	0	0
Glu-Glu-Met-Met	17.06227773	538.1757844	0	0	0	0
Glu-Glu-Tyr-Tyr	14.78719306	602.221382	0	0	0	0
Glu-Gly-Met	12.64431418	335.1147306	0	0	0	0
Glu-Gly-Thr	13.96338208	305.1220909	0	0	0	0
Glu-Gly-Tyr	12.69877539	367.1376314	0	0	0	0
Glu-Gly-Val	13.08850645	303.1431175	0	0	0	0
Glu-Ile-Lys-Lys	16.47997357	516.3268698	0	0	0	0
Glu-Ile-Lys-Thr	12.31586182	489.2801415	0	0	0	0
Glu-Ile-Met-Phe	14.95260475	574.2218519	0	0	0	0
Glu-Ile-Met-Trp	10.50505136	577.2586763	0	0	0	0
Glu-Ile-Ser-Thr	10.98797155	448.2164021	0	0	0	0
Glu-Ile-Ser-Tyr	11.01663673	510.2328552	0	0	0	0
Glu-Leu-Lys-His	12.6794482	525.2905739	0	0	0	0
Glu-Lys-Asp-Pro	11.37492978	487.2276095	0	0	0	0
Glu-Lys-Lys-Val	15.53084125	502.3115365	0	0	0	0
Glu-Lys-Met-His	13.10776331	543.2486183	0	0	0	0
Glu-Met-Met-Arg	15.21626999	565.23577	0	0	0	0
Glu-Met-Met-Thr	15.4403043	510.1832163	0	0	0	0
Glu-Met-Ser	12.31561719	365.1255861	0	0	0	0
Glu-Met-Thr	11.65384686	379.1410602	0	0	0	0
Glu-Met-Thr-Ser	8.453083527	466.1729025	0	0	0	0
Glu-Pro-Ser	14.87531613	331.1374184	0	0	0	0
Glu-Pro-Thr	13.50177617	345.1527987	0	0	0	0
Glu-Pro-Tyr	9.689193257	407.1687882	0	0	0	0
Glu-Ser-Tyr	9.762812062	397.1481009	0	0	0	0
glutathione-sulfite	19.2097578	387.0406844	0	0	WVRBCFLALSFRAF-UHFFFAOYSA-L	0
Glu-Thr-Pro-His	16.26545792	482.2121924	0	0	0	0
Glu-Thr-Thr-Thr	10.74379823	450.1960757	0	0	0	0
Glu-Thr-Tyr	9.61091714	411.1634106	0	0	0	0
Glu-Trp-Arg-His	13.78163677	626.2939506	0	0	0	0
Glu-Tyr-Tyr	11.54126402	473.1806265	0	0	0	0
Glycerone phosphate	14.98874102	169.9979015	C00111	0	GNGACRATGGDKBX-UHFFFAOYSA-N	HMDB01473
Glycerophosphoglycerol	13.77936819	246.0508186	C03274	0	LLCSXHMJULHSJN-UHFFFAOYSA-N	0
glycerophosphoserine	14.90999114	259.045925	0	0	ZWZWYGMENQVNFU-AKGZTFGVSA-N	0
Gly-Ser	14.07549669	162.0640246	0	0	WOUIMBGNEUWXQG-UHFFFAOYSA-N	0
Guanine	10.49767364	151.0494491	C00242	0	UYTPUPDQBNUYGX-UHFFFAOYSA-N	HMDB00132
Guanosine	12.16434718	283.091376	C00387	0	NYHBQMYGNKIUIF-UUOKFMHZSA-N	HMDB00133
Guanosine 3'-phosphate	15.27503586	363.0579399	C06193	0	ZDPUTNZENXVHJC-UUOKFMHZSA-N	0
GYKI 52895	3.877083858	295.1319067	C15094	0	AQTITSBNGSVQNZ-UHFFFAOYSA-N	0
H2S2O3	21.54759318	113.9445774	C05529	0	DHCDFWKWKRSZHF-UHFFFAOYSA-N	0
Hexose phosphate	15.51196051	260.0296771	C02965	0	NBSCHQHZLSJFNQ-UHFFFAOYSA-N	0
His-Lys-Met-Met	16.60190006	545.2438257	0	0	0	0
His-Lys-Trp-Pro	24.95920097	566.2980885	0	0	0	0
His-Met-Trp-Pro	10.68102073	569.2428458	0	0	0	0
His-Met-Trp-Val	15.17385527	571.2592304	0	0	0	0
Histidylprolinediketopiperazine	12.66869696	248.1265935	0	0	LCXWQHWWTPOAFI-UWVGGRQHSA-N	HMDB02053
Hordatine B	8.586959228	580.3132261	C08308	0	LRLXAXGCQUOKIO-ATYLQFJESA-N	0
Hymexazol O-glucoside_1	12.53906234	261.0848665	C11102	0	MXURVUIFJOLZNZ-SVFDORGDSA-N	0
Hymexazol O-glucoside_2	13.38097381	261.0842906	C11102	0	MXURVUIFJOLZNZ-SVFDORGDSA-N	0
Hymexazol O-glucoside	14.22204227	261.0844219	C11102	0	MXURVUIFJOLZNZ-SVFDORGDSA-N	0
Hymexazol N-glucoside	16.95516663	261.0845601	C11104	0	AJQPXMGLDMXYMI-HOQQJHGQSA-N	0
Icaritin 3-rhamnoside	4.66727065	532.1940386	0	LMPK12112018	MDKYYFBRCUVEAN-YXGZRXAKSA-N	0
Ile-Arg-Lys	20.75450258	415.2908187	0	0	0	0
Ile-Arg-Ser	14.13330319	420.2328637	0	0	0	0
Ile-Glu-Glu-Glu	16.17017409	518.2220195	0	0	0	0
Ile-Ile-Met	3.894863437	375.2181947	0	0	0	0
Ile-Lys-Lys	20.51085505	387.2845558	0	0	0	0
Ile-Met-Met-Met	11.97121468	524.2149224	0	0	0	0
Ile-Thr-Thr-Ser	11.75807365	466.2275301	0	0	0	0
Ile-Val-Val-Pro	7.061688193	426.2840206	0	0	0	0
Indicaxanthin	13.22645178	308.1007149	C08549	0	RJIIQBYZGJSODH-QWRGUYRKSA-N	0
Indole-3-acetyl-beta-1-D-glucose	8.76978356	337.1158204	C04124	0	0	0
Indole-3-acetyl-myo-inositol	8.069164617	337.1159928	C03868	0	XUACNUJFOIKYPQ-HUSLANRSSA-N	0
Isoclavulanic acid	18.36483928	245.0534567	C11833	0	HZZVJAQRINQKSD-INJCQMSSSA-N	0
Isopnetenyladenosine-5'-diphosphate	16.65529606	495.0928386	C16426	0	VXMXKDAHJURHEN-SDBHATRESA-N	0
L-2,3-Dihydrodipicolinate	15.03635874	215.0434526	C03340	0	UWOCFOFVIBZJGH-YFKPBYRVSA-N	HMDB12247
L-5-methylhydantoin	16.57488747	114.0427252	0	0	VMAQYKGITHDWKL-REOHCLBHSA-N	0
L-Cysteate	15.41312564	169.0044628	C00506	0	XVOYSCVBGLVSOL-REOHCLBHSA-N	HMDB02757
Leu-Asp-Asp	14.44722257	361.1483296	0	0	0	0
Leu-Met-Gly	7.931232535	365.161869	0	0	0	0
L-gamma-Glutamyl-L-hypoglycin	12.26598742	270.1214889	C08280	0	UYDZYCPIQSRXKU-CIUDSAMLSA-N	0
L-Rhamnulose	10.59764765	200.0448338	C00861	0	QZNPNKJXABGCRC-FUTKDDECSA-N	HMDB10207
Lys-Ala-Pro	15.20907463	314.1955728	0	0	0	0
Lys-Arg	23.07979883	302.2067866	0	0	0	0
Lys-Gly	16.06333202	203.126855	0	0	0	0
Lys-Lys-Gly	21.05777178	331.2221375	0	0	0	0
Lys-Lys-Thr	20.67184332	375.2482992	0	0	0	0
Lys-Lys-Tyr	21.54265892	437.26374	0	0	0	0
Lysosomal-enzyme N-acetyl-D-glucosaminyl-phospho-D-mannose	14.85751285	463.1089222	C04789	0	0	0
Lys-Phe-Val	8.790290627	392.2434219	0	0	0	0
Lys-Pro-Pro	16.68399695	340.210659	0	0	0	0
Lys-Pro-Pro-Pro	21.06365898	437.2638056	0	0	0	0
Lys-Thr-Thr	14.86766544	348.2005625	0	0	0	0
Lys-Val-Arg	20.76810005	401.275187	0	0	0	0
maltononaose	18.19495368	738.2433484	0	0	KNBVLVBOKWRYEP-XYLDXDTCSA-N	HMDB13001
Medicagol	3.8680936	296.0321262	0	LMPK12090025	URMVEUAWRUQHON-UHFFFAOYSA-N	0
melibionate	15.34928871	358.1110866	0	0	MUUBPEHTAPZMCA-RQPDCMAESA-M	0
meso-Tartaric acid	16.38655294	150.0163899	C00552	0	FEWJPZIEWOKRBE-XIXRPRMCSA-N	0
Met-Gly_1	7.474519505	206.0722706	0	0	QXOHLNCNYLGICT-YFKPBYRVSA-N	0
Met-Gly	11.07672775	252.0777793	0	0	QXOHLNCNYLGICT-YFKPBYRVSA-N	0
Met-Gly-Tyr	15.37661491	405.111687	0	0	0	0
methyl 8-[3,5-epidioxy-2-(3-hydroperoxy-1-pentenyl)-cyclopentyl]-octanoate	3.485942188	396.2507752	0	LMFA01040054	SGTSZTLPOBUMKG-CXQIITPCSA-N	0
Met-Met-Val-Tyr	13.30478904	542.2223753	0	0	0	0
Met-Phe-Val	6.902779682	395.1875168	0	0	0	0
Met-Ser-Ser	11.33870718	323.1141522	0	0	0	0
Met-Ser-Tyr	7.389501765	399.1457954	0	0	0	0
Met-Thr-Tyr-Tyr	12.14262201	576.2264838	0	0	0	0
Met-Val-Tyr	15.60677054	447.1585228	0	0	0	0
Miotine	4.335585103	268.1422196	C11763	0	KQOUPMYYRQWZLI-UHFFFAOYSA-N	0
Miserotoxin	8.390424787	267.0959527	C08507	0	JDJSHLXEHWCLEP-SYHAXYEDSA-N	0
Muramic acid	12.57689392	251.1005156	C06470	0	MSFSPUZXLOGKHJ-PGYHGBPZSA-N	HMDB03254
Myxochlin B	4.449442053	405.1896208	C06449	0	HQEULXXQFICACJ-UHFFFAOYSA-N	0
N-(3-oxooctanoyl)-L-homoserine	4.199538465	259.1419146	0	0	0	0
N-(4-nitrophenyl)validamine	10.75291329	298.1163551	0	0	JXUGHMBEWUEHHW-YZJOIWJPSA-N	0
N-(phosphonacetyl)-L-aspartate	15.54419539	255.0142719	0	0	ZZKNRXZVGOYGJT-VKHMYHEASA-N	0
N1-(3,4-dihydroxybenzoyl)-N8,N'8-citryl-bis(spermidine)	13.15952754	582.3364389	0	0	0	0
N5-formyl-N5-hydroxy-L-ornithine	12.72137864	176.0795625	0	0	0	0
N-Acetyl-aspartyl-glutamate	13.80427418	304.0912705	C12270	0	OPVPGKGADVGKTG-UHFFFAOYSA-N	HMDB01067
N-Acetyl-L-tyrosine	8.219561548	223.0844124	0	0	CAHKINHBCWCHCF-JTQLQIEISA-N	HMDB00866
N-Acetylneuraminate	12.88438794	309.1058645	C00270	0	SQVRNKJHWKZAKO-LUWBGTNYSA-N	HMDB00230
N-Carbamoyl-L-aspartate	13.21352103	176.0432684	C00438	0	HLKXYZVTANABHZ-REOHCLBHSA-N	HMDB00828
N-Feruloylglycine	4.689252797	251.079187	C02564	0	CLGNQAIRBLDHIN-HWKANZROSA-N	0
Ngamma-Nitro-L-arginine methyl ester	11.61115253	269.0895192	C04337	0	KCWZGJVSDFYRIX-YFKPBYRVSA-N	0
Nicotinate D-ribonucleoside	13.483631	255.074571	C05841	0	PUEDDPCUCPRQNY-ZYUZMQFOSA-O	HMDB06809
N-Methyl-2-oxoglutaramate	14.09060532	205.0585482	C03623	0	MOIJYNHJLPUMNX-UHFFFAOYSA-N	0
N-Methylhexanamide	4.094449763	129.115333	C02722	LMFA08020142	RSPBQSYWXAROOO-UHFFFAOYSA-N	0
N-Succinyl-L-glutamate	13.23939843	247.0691981	C05931	0	JCNBNOQGFSXOML-YFKPBYRVSA-N	0
N-Succinyl-L-L-2-6-diaminopimelate	13.26761667	290.1111953	0	0	GLXUWZBUPATPBR-MLWJPKLSSA-L	HMDB12267
nva-FMDP	8.192284617	315.1429211	0	0	UIRYEXFXYYEJGD-MUNZNRDXSA-N	0
O-Acetylneuraminic acid	14.30873078	309.1058991	C03525	0	BJOZNDRNJJZHPZ-LUWBGTNYSA-N	0
octyl beta-1,6-D-galactofuranosyl-alpha-D-glucopyranoside	4.833564102	454.2413924	0	0	0	0
O-Phospho-L-homoserine	15.3113685	199.0246196	C01102	0	FXDNYOANAXWZHG-VKHMYHEASA-N	HMDB03484
Ophthalmicacid	12.59371433	289.1275131	0	0	JCMUOFQHZLPHQP-BQBZGAKWSA-N	HMDB05765
PG(32:0)	3.336076653	722.5083432	0	0	0	0
PG(32:1)	3.333103957	720.4933821	0	0	0	0
PG(33:1)	3.329038717	734.5094954	0	LMGP04010254	YBMBGCRCYPZPRW-NYMVISBMSA-N	0
PG(34:2)	3.327201053	746.5100991	0	LMGP04010485	OKLFBFZTIAAQCG-OPIKARGUSA-N	0
PG(35:1)	3.328561115	762.5407297	0	LMGP04010214	NIORGITWJYXLNF-VIGWCXIXSA-N	0
PG(35:2)	3.327242433	760.5246367	0	LMGP04010215	DWIAHTSGFGBNNY-VNEGZISYSA-N	0
Phellamurin	5.698215972	518.1787656	C09808	0	GRDZTDZJQRPNCN-YIANMRPHSA-N	0
Phe-Ser-Ser-Ser	8.809226935	426.1745976	0	0	0	0
Phe-Thr-Ser	7.409828217	353.158537	0	0	0	0
Phosphoenolpyruvate	17.67372198	167.9823128	C00074	0	DTBNBXWJWCWCIK-UHFFFAOYSA-N	HMDB00263
Phosphophosphinate	15.9217454	275.0321895	C12022	0	BAIYWTZQRMCJBV-FMMPLYQGSA-N	0
PI(32:4)	3.706021485	802.4616112	0	0	CWCALGUMYCQMED-FJFLXMCJSA-N	0
PIP(16:1(9Z)/18:0)	3.812690767	888.4742256	C00626	0	QNYMBSGYJKWSEC-XLKALSDESA-N	HMDB09940
polyprenylpyrophosphate	4.479599607	300.0526429	0	0	YJTQQQQPZUKKGG-GQCTYLIASA-K	0
Portulacaxanthin III	13.71404798	268.0692792	C08566	0	ZZZQMKRQWYRKFG-HVXFQPPXSA-N	0
Proacacipetalin	9.494108762	259.1051481	C08338	0	KVHIMSJVFJPBKJ-MPVQUNCYSA-N	0
Propanoyl phosphate	11.11444614	154.0031269	C02876	0	FMNMEQSRDWIBFO-UHFFFAOYSA-N	0
PS(19:1(9Z)/0:0)	7.511396172	537.307442	0	LMGP03050019	KDKUPWGASYOIMK-MCNIBRDVSA-N	0
pseudaminic acid	9.185796383	334.1372744	0	0	0	0
Pseudopurpurin	11.1594067	346.0328446	C10394	0	OOKBSCGBRWBGFL-UHFFFAOYSA-N	0
Pseudouridine 5'-phosphate	13.68887465	324.0356298	C01168	0	MOBMOJGXNHLLIR-GBNDHIKLSA-N	HMDB01271
Pyruvate oxime	10.49855536	103.0268194	C02193	0	MVGBKLTYYAYYGY-RQOWECAXSA-N	HMDB02455
Raffinose	16.05832382	504.1686753	C00492	0	MUPFEKGTMRGPLJ-ZQSKZDJDSA-N	HMDB03213
S-(11-OH-9-deoxy-delta9,12-PGD2)-glutathione	9.274798193	641.2981489	0	0	0	HMDB13056
S-(3-oxo-3-carboxy-n-propyl)cysteine	12.27040865	221.0356169	0	0	MXVUEJUCBIAFCN-UHFFFAOYSA-N	HMDB02135
Sarracine	4.261141807	337.1899084	C10383	0	YMUQRQKYYOWGPN-SLEGRLQASA-N	0
serotonin O-sulfate_1	7.490796697	256.0516561	0	0	JFWYSGGSCOOBGK-UHFFFAOYSA-N	0
serotonin O-sulfate	8.063000277	256.0516801	0	0	JFWYSGGSCOOBGK-UHFFFAOYSA-N	0
Ser-Ser-Tyr	12.54625546	355.1374582	0	0	0	0
sinefungin	15.01363098	381.1762177	0	0	LMXOHSDXUQEUSF-PWAUXLQOSA-O	0
sn-glycero-3-Phospho-1-inositol	15.61255031	334.0662767	C01225	0	BMVUIWJCUQSHLZ-UJGXJMNGSA-N	HMDB11649
Stachyose	16.7435741	666.2209795	C01613	0	UQZIYBXSHAGNOE-XNSRJBNMSA-N	HMDB03553
Subaphyllin	4.925641768	264.1474227	C10497	0	SFUVCMKSYKHYLD-FNORWQNLSA-N	0
Taurine	14.98235718	125.0146348	C00245	0	XOAAWQZATWQOTB-UHFFFAOYSA-N	HMDB00251
Thr-Glu-Glu-Glu	18.41727177	506.185923	0	0	0	0
Thr-Pro-His_1	14.61719226	353.1697745	0	0	0	0
Thr-Pro-His	15.22740591	353.1696484	0	0	0	0
Thr-Tyr	15.68610586	328.1268021	0	0	0	0
Tremulacin_1	4.655108675	528.1634489	C09973	0	RCKCYCDBDYUIGM-LFMHJWGUSA-N	0
Tremulacin	5.857899287	528.1633272	C09973	0	RCKCYCDBDYUIGM-LFMHJWGUSA-N	0
Tri-N-acetylchitotriose	20.32066667	663.2238089	0	0	LRDDKCYRFNJZBX-WHFMPQCRSA-N	HMDB06698
Trp-Ala	7.888279983	275.1263079	0	0	OHGNSVACHBZKSS-GZMMTYOYSA-N	HMDB13209
Trp-Cys-Arg	15.16267538	463.1994828	0	0	0	0
Trp-Ser	12.76116867	291.1215215	0	0	0	0
UDP	16.30316666	404.0017639	C00015	0	XCCTYIAWTASOJW-XVFCMESISA-N	HMDB00295
UMP	14.67216122	324.0356033	C00105	0	DJJCXFVJDGTHFX-XVFCMESISA-N	HMDB00288
Urate	12.34258546	168.0281728	C00366	0	LEHOTFFKMJEONL-UHFFFAOYSA-N	HMDB00289
Veratridine	4.456629208	673.3446474	C06544	0	FVECELJHCSPHKY-UIHGVQCZSA-N	0
Vicianose	13.73275876	312.1065424	C01625	0	QYNRIDLOTGRNML-ULAALWPKSA-N	0
Withasomnine	8.920484963	230.1051343	C10625	0	FOJCJLSJZFQCID-UHFFFAOYSA-N	0
Xylobiose_1	13.29284953	282.0955137	C01630	0	LGQKSQQRKHFMLI-WSNPFVOISA-N	0
Xylobiose	15.91403072	282.0947277	C01630	0	LGQKSQQRKHFMLI-WSNPFVOISA-N	0
METABOLITES_END
#END