#METABOLOMICS WORKBENCH Tom_Metz_20140708_9768151_mwtab.txt DATATRACK_ID:136 STUDY_ID:ST000092 ANALYSIS_ID:AN000146 PROJECT_ID:PR000084
VERSION             	1
CREATED_ON          	2016-09-17
#PROJECT
PR:PROJECT_TITLE                 	T1D Investigating the gut microbiome, urinary proteome, and metabolome
PR:PROJECT_TYPE                  	MS analysis
PR:PROJECT_SUMMARY               	-
PR:INSTITUTE                     	J. Craig Venter Institute
PR:DEPARTMENT                    	Genomic Medicine Group
PR:LAST_NAME                     	Madupu
PR:FIRST_NAME                    	Ramana
PR:ADDRESS                       	-
PR:EMAIL                         	rmadupu@jcvi.org
PR:PHONE                         	-
#STUDY
ST:STUDY_TITLE                   	A statistical analysis of the effects of urease pre-treatment on the
ST:STUDY_TITLE                   	of the urinary metabolome by gas chromatography–mass spectrometry
ST:STUDY_TYPE                    	Analytical Comparison
ST:STUDY_SUMMARY                 	Urease pre-treatment of urine has been utilized since the early 1960s to remove
ST:STUDY_SUMMARY                 	levels of urea from samples prior to further processing and analysis by gas
ST:STUDY_SUMMARY                 	spectrometry (GC–MS). Aside from the obvious depletion or elimination of urea,
ST:STUDY_SUMMARY                 	effect, if any, of urease pre-treatment on the urinary metabolome has not been
ST:STUDY_SUMMARY                 	in detail. Here, we report the results of three separate but related
ST:STUDY_SUMMARY                 	that were designed to assess possible indirect effects of urease pre-treatment
ST:STUDY_SUMMARY                 	the urinary metabolome as measured by GC–MS. In total, 235 GC–MS analyses
ST:STUDY_SUMMARY                 	performed and over 106 identified and 200 unidentified metabolites were
ST:STUDY_SUMMARY                 	across the three experiments. The results showed that data from urease
ST:STUDY_SUMMARY                 	samples (1) had the same or lower coefficients of variance among reproducibly
ST:STUDY_SUMMARY                 	metabolites, (2) more accurately reflected quantitative differences and the
ST:STUDY_SUMMARY                 	ratios among different urine volumes, and (3) increased the number of
ST:STUDY_SUMMARY                 	identifications. Overall, we observed no negative consequences of urease
ST:STUDY_SUMMARY                 	In contrast, urease pre-treatment enhanced the ability to distinguish between
ST:STUDY_SUMMARY                 	and biological sample types compared to no treatment. Taken together, these
ST:STUDY_SUMMARY                 	show that urease pre-treatment of urine offers multiple beneficial effects that
ST:STUDY_SUMMARY                 	any artifacts that may be introduced to the data in urinary metabolomics
ST:INSTITUTE                     	Pacific Northwest National Laboratory
ST:DEPARTMENT                    	Biological Separation and Mass Spectrometry
ST:LAST_NAME                     	Metz
ST:FIRST_NAME                    	Thomas
ST:ADDRESS                       	-
ST:EMAIL                         	thomas.metz@pnnl.gov
ST:PHONE                         	-
ST:NUM_GROUPS                    	6
ST:TOTAL_SUBJECTS                	235
#SUBJECT
SU:SUBJECT_TYPE                  	Human
SU:SUBJECT_SPECIES               	Homo sapiens
SU:TAXONOMY_ID                   	9606
SU:GENDER                        	Male and Female
SU:HUMAN_RACE                    	Hispanic, Aisan, Caucasian
SU:SPECIES_GROUP                 	Human
#SUBJECT_SAMPLE_FACTORS:         	SUBJECT(optional)[tab]SAMPLE[tab]FACTORS(NAME:VALUE pairs separated by |)[tab]Additional sample data
SUBJECT_SAMPLE_FACTORS           	-	VaryingVolume_NT_100uL_1	Urease Treatment:No treatment | Volume Urine (µL):100 | Gender:N/A | Solution Added:N/A | Ethnicity:N/A	
SUBJECT_SAMPLE_FACTORS           	-	VaryingVolume_NT_100uL_2	Urease Treatment:No treatment | Volume Urine (µL):100 | Gender:N/A | Solution Added:N/A | Ethnicity:N/A	
SUBJECT_SAMPLE_FACTORS           	-	VaryingVolume_NT_100uL_3	Urease Treatment:No treatment | Volume Urine (µL):100 | Gender:N/A | Solution Added:N/A | Ethnicity:N/A	
SUBJECT_SAMPLE_FACTORS           	-	ConstantVolume_NT_1_1	Urease Treatment:No treatment | Volume Urine (µL):100 | Gender:N/A | Solution Added:None | Ethnicity:N/A	
SUBJECT_SAMPLE_FACTORS           	-	ConstantVolume_NT_1_2	Urease Treatment:No treatment | Volume Urine (µL):100 | Gender:N/A | Solution Added:None | Ethnicity:N/A	
SUBJECT_SAMPLE_FACTORS           	-	ConstantVolume_NT_1_3	Urease Treatment:No treatment | Volume Urine (µL):100 | Gender:N/A | Solution Added:None | Ethnicity:N/A	
SUBJECT_SAMPLE_FACTORS           	-	ConstantVolume_NT_2_1	Urease Treatment:No treatment | Volume Urine (µL):100 | Gender:N/A | Solution Added:None | Ethnicity:N/A	
SUBJECT_SAMPLE_FACTORS           	-	ConstantVolume_NT_2_2	Urease Treatment:No treatment | Volume Urine (µL):100 | Gender:N/A | Solution Added:None | Ethnicity:N/A	
SUBJECT_SAMPLE_FACTORS           	-	ConstantVolume_NT_2_3	Urease Treatment:No treatment | Volume Urine (µL):100 | Gender:N/A | Solution Added:None | Ethnicity:N/A	
SUBJECT_SAMPLE_FACTORS           	-	ConstantVolume_NT_3_1	Urease Treatment:No treatment | Volume Urine (µL):100 | Gender:N/A | Solution Added:None | Ethnicity:N/A	
SUBJECT_SAMPLE_FACTORS           	-	ConstantVolume_NT_3_2	Urease Treatment:No treatment | Volume Urine (µL):100 | Gender:N/A | Solution Added:None | Ethnicity:N/A	
SUBJECT_SAMPLE_FACTORS           	-	ConstantVolume_NT_3_3	Urease Treatment:No treatment | Volume Urine (µL):100 | Gender:N/A | Solution Added:None | Ethnicity:N/A	
SUBJECT_SAMPLE_FACTORS           	-	ConstantVolume_NT_4_1	Urease Treatment:No treatment | Volume Urine (µL):100 | Gender:N/A | Solution Added:None | Ethnicity:N/A	
SUBJECT_SAMPLE_FACTORS           	-	ConstantVolume_NT_4_2	Urease Treatment:No treatment | Volume Urine (µL):100 | Gender:N/A | Solution Added:None | Ethnicity:N/A	
SUBJECT_SAMPLE_FACTORS           	-	ConstantVolume_NT_4_3	Urease Treatment:No treatment | Volume Urine (µL):100 | Gender:N/A | Solution Added:None | Ethnicity:N/A	
SUBJECT_SAMPLE_FACTORS           	-	ConstantVolume_NT_5_1	Urease Treatment:No treatment | Volume Urine (µL):100 | Gender:N/A | Solution Added:None | Ethnicity:N/A	
SUBJECT_SAMPLE_FACTORS           	-	ConstantVolume_NT_5_2	Urease Treatment:No treatment | Volume Urine (µL):100 | Gender:N/A | Solution Added:None | Ethnicity:N/A	
SUBJECT_SAMPLE_FACTORS           	-	ConstantVolume_NT_5_3	Urease Treatment:No treatment | Volume Urine (µL):100 | Gender:N/A | Solution Added:None | Ethnicity:N/A	
SUBJECT_SAMPLE_FACTORS           	-	VaryingVolume_NT_10uL_1	Urease Treatment:No treatment | Volume Urine (µL):10 | Gender:N/A | Solution Added:N/A | Ethnicity:N/A	
SUBJECT_SAMPLE_FACTORS           	-	VaryingVolume_NT_10uL_2	Urease Treatment:No treatment | Volume Urine (µL):10 | Gender:N/A | Solution Added:N/A | Ethnicity:N/A	
SUBJECT_SAMPLE_FACTORS           	-	VaryingVolume_NT_10uL_3	Urease Treatment:No treatment | Volume Urine (µL):10 | Gender:N/A | Solution Added:N/A | Ethnicity:N/A	
SUBJECT_SAMPLE_FACTORS           	-	VaryingVolume_NT_25uL_1	Urease Treatment:No treatment | Volume Urine (µL):25 | Gender:N/A | Solution Added:N/A | Ethnicity:N/A	
SUBJECT_SAMPLE_FACTORS           	-	VaryingVolume_NT_25uL_2	Urease Treatment:No treatment | Volume Urine (µL):25 | Gender:N/A | Solution Added:N/A | Ethnicity:N/A	
SUBJECT_SAMPLE_FACTORS           	-	VaryingVolume_NT_25uL_3	Urease Treatment:No treatment | Volume Urine (µL):25 | Gender:N/A | Solution Added:N/A | Ethnicity:N/A	
SUBJECT_SAMPLE_FACTORS           	-	MaleVsFemale_NT_Female_Asian_23_BRH600227_A	Urease Treatment:No treatment | Volume Urine (µL):50 | Gender:Female | Solution Added:N/A | Ethnicity:Asian	
SUBJECT_SAMPLE_FACTORS           	-	MaleVsFemale_NT_Female_Asian_23_BRH600227_B	Urease Treatment:No treatment | Volume Urine (µL):50 | Gender:Female | Solution Added:N/A | Ethnicity:Asian	
SUBJECT_SAMPLE_FACTORS           	-	MaleVsFemale_NT_Female_Asian_24_BRH600219_C	Urease Treatment:No treatment | Volume Urine (µL):50 | Gender:Female | Solution Added:N/A | Ethnicity:Asian	
SUBJECT_SAMPLE_FACTORS           	-	MaleVsFemale_NT_Female_Asian_24_BRH600219_D	Urease Treatment:No treatment | Volume Urine (µL):50 | Gender:Female | Solution Added:N/A | Ethnicity:Asian	
SUBJECT_SAMPLE_FACTORS           	-	MaleVsFemale_NT_Female_Black_24_BRH600216_A	Urease Treatment:No treatment | Volume Urine (µL):50 | Gender:Female | Solution Added:N/A | Ethnicity:Black	
SUBJECT_SAMPLE_FACTORS           	-	MaleVsFemale_NT_Female_Black_24_BRH600216_B	Urease Treatment:No treatment | Volume Urine (µL):50 | Gender:Female | Solution Added:N/A | Ethnicity:Black	
SUBJECT_SAMPLE_FACTORS           	-	MaleVsFemale_NT_Female_Black_24_BRH600226_C	Urease Treatment:No treatment | Volume Urine (µL):50 | Gender:Female | Solution Added:N/A | Ethnicity:Black	
SUBJECT_SAMPLE_FACTORS           	-	MaleVsFemale_NT_Female_Black_24_BRH600226_D	Urease Treatment:No treatment | Volume Urine (µL):50 | Gender:Female | Solution Added:N/A | Ethnicity:Black	
SUBJECT_SAMPLE_FACTORS           	-	MaleVsFemale_NT_Female_Caucasian_22_BRH600221_C	Urease Treatment:No treatment | Volume Urine (µL):50 | Gender:Female | Solution Added:N/A | Ethnicity:Caucasian	
SUBJECT_SAMPLE_FACTORS           	-	MaleVsFemale_NT_Female_Caucasian_22_BRH600221_D	Urease Treatment:No treatment | Volume Urine (µL):50 | Gender:Female | Solution Added:N/A | Ethnicity:Caucasian	
SUBJECT_SAMPLE_FACTORS           	-	MaleVsFemale_NT_Female_Caucasian_23_BRH600213_C	Urease Treatment:No treatment | Volume Urine (µL):50 | Gender:Female | Solution Added:N/A | Ethnicity:Caucasian	
SUBJECT_SAMPLE_FACTORS           	-	MaleVsFemale_NT_Female_Caucasian_23_BRH600213_D	Urease Treatment:No treatment | Volume Urine (µL):50 | Gender:Female | Solution Added:N/A | Ethnicity:Caucasian	
SUBJECT_SAMPLE_FACTORS           	-	MaleVsFemale_NT_Female_Caucasian_23_BRH600214_A	Urease Treatment:No treatment | Volume Urine (µL):50 | Gender:Female | Solution Added:N/A | Ethnicity:Caucasian	
SUBJECT_SAMPLE_FACTORS           	-	MaleVsFemale_NT_Female_Caucasian_23_BRH600214_B	Urease Treatment:No treatment | Volume Urine (µL):50 | Gender:Female | Solution Added:N/A | Ethnicity:Caucasian	
SUBJECT_SAMPLE_FACTORS           	-	MaleVsFemale_NT_Female_Caucasian_23_BRH600218_A	Urease Treatment:No treatment | Volume Urine (µL):50 | Gender:Female | Solution Added:N/A | Ethnicity:Caucasian	
SUBJECT_SAMPLE_FACTORS           	-	MaleVsFemale_NT_Female_Caucasian_23_BRH600218_B	Urease Treatment:No treatment | Volume Urine (µL):50 | Gender:Female | Solution Added:N/A | Ethnicity:Caucasian	
SUBJECT_SAMPLE_FACTORS           	-	MaleVsFemale_NT_Female_Caucasian_23_BRH600224_C	Urease Treatment:No treatment | Volume Urine (µL):50 | Gender:Female | Solution Added:N/A | Ethnicity:Caucasian	
SUBJECT_SAMPLE_FACTORS           	-	MaleVsFemale_NT_Female_Caucasian_23_BRH600224_D	Urease Treatment:No treatment | Volume Urine (µL):50 | Gender:Female | Solution Added:N/A | Ethnicity:Caucasian	
SUBJECT_SAMPLE_FACTORS           	-	MaleVsFemale_NT_Female_Caucasian_23_BRH600225_C	Urease Treatment:No treatment | Volume Urine (µL):50 | Gender:Female | Solution Added:N/A | Ethnicity:Caucasian	
SUBJECT_SAMPLE_FACTORS           	-	MaleVsFemale_NT_Female_Caucasian_23_BRH600225_D	Urease Treatment:No treatment | Volume Urine (µL):50 | Gender:Female | Solution Added:N/A | Ethnicity:Caucasian	
SUBJECT_SAMPLE_FACTORS           	-	MaleVsFemale_NT_Female_Caucasian_23_BRH600228_A	Urease Treatment:No treatment | Volume Urine (µL):50 | Gender:Female | Solution Added:N/A | Ethnicity:Caucasian	
SUBJECT_SAMPLE_FACTORS           	-	MaleVsFemale_NT_Female_Caucasian_23_BRH600228_B	Urease Treatment:No treatment | Volume Urine (µL):50 | Gender:Female | Solution Added:N/A | Ethnicity:Caucasian	
SUBJECT_SAMPLE_FACTORS           	-	MaleVsFemale_NT_Female_Caucasian_24_BRH600211_A	Urease Treatment:No treatment | Volume Urine (µL):50 | Gender:Female | Solution Added:N/A | Ethnicity:Caucasian	
SUBJECT_SAMPLE_FACTORS           	-	MaleVsFemale_NT_Female_Caucasian_24_BRH600211_B	Urease Treatment:No treatment | Volume Urine (µL):50 | Gender:Female | Solution Added:N/A | Ethnicity:Caucasian	
SUBJECT_SAMPLE_FACTORS           	-	MaleVsFemale_NT_Female_Caucasian_24_BRH600215_C	Urease Treatment:No treatment | Volume Urine (µL):50 | Gender:Female | Solution Added:N/A | Ethnicity:Caucasian	
SUBJECT_SAMPLE_FACTORS           	-	MaleVsFemale_NT_Female_Caucasian_24_BRH600215_D	Urease Treatment:No treatment | Volume Urine (µL):50 | Gender:Female | Solution Added:N/A | Ethnicity:Caucasian	
SUBJECT_SAMPLE_FACTORS           	-	MaleVsFemale_NT_Female_Caucasian_24_BRH600217_C	Urease Treatment:No treatment | Volume Urine (µL):50 | Gender:Female | Solution Added:N/A | Ethnicity:Caucasian	
SUBJECT_SAMPLE_FACTORS           	-	MaleVsFemale_NT_Female_Caucasian_24_BRH600217_D	Urease Treatment:No treatment | Volume Urine (µL):50 | Gender:Female | Solution Added:N/A | Ethnicity:Caucasian	
SUBJECT_SAMPLE_FACTORS           	-	MaleVsFemale_NT_Female_Caucasian_24_BRH600223_A	Urease Treatment:No treatment | Volume Urine (µL):50 | Gender:Female | Solution Added:N/A | Ethnicity:Caucasian	
SUBJECT_SAMPLE_FACTORS           	-	MaleVsFemale_NT_Female_Caucasian_24_BRH600223_B	Urease Treatment:No treatment | Volume Urine (µL):50 | Gender:Female | Solution Added:N/A | Ethnicity:Caucasian	
SUBJECT_SAMPLE_FACTORS           	-	MaleVsFemale_NT_Female_Caucasian_24_BRH600229_A	Urease Treatment:No treatment | Volume Urine (µL):50 | Gender:Female | Solution Added:N/A | Ethnicity:Caucasian	
SUBJECT_SAMPLE_FACTORS           	-	MaleVsFemale_NT_Female_Caucasian_24_BRH600229_B	Urease Treatment:No treatment | Volume Urine (µL):50 | Gender:Female | Solution Added:N/A | Ethnicity:Caucasian	
SUBJECT_SAMPLE_FACTORS           	-	MaleVsFemale_NT_Female_Hispanic_23_BRH600210_A	Urease Treatment:No treatment | Volume Urine (µL):50 | Gender:Female | Solution Added:N/A | Ethnicity:Hispanic	
SUBJECT_SAMPLE_FACTORS           	-	MaleVsFemale_NT_Female_Hispanic_23_BRH600210_B	Urease Treatment:No treatment | Volume Urine (µL):50 | Gender:Female | Solution Added:N/A | Ethnicity:Hispanic	
SUBJECT_SAMPLE_FACTORS           	-	MaleVsFemale_NT_Female_Hispanic_23_BRH600212_C	Urease Treatment:No treatment | Volume Urine (µL):50 | Gender:Female | Solution Added:N/A | Ethnicity:Hispanic	
SUBJECT_SAMPLE_FACTORS           	-	MaleVsFemale_NT_Female_Hispanic_23_BRH600212_D	Urease Treatment:No treatment | Volume Urine (µL):50 | Gender:Female | Solution Added:N/A | Ethnicity:Hispanic	
SUBJECT_SAMPLE_FACTORS           	-	MaleVsFemale_NT_Female_Hispanic_24_BRH600220_A	Urease Treatment:No treatment | Volume Urine (µL):50 | Gender:Female | Solution Added:N/A | Ethnicity:Hispanic	
SUBJECT_SAMPLE_FACTORS           	-	MaleVsFemale_NT_Female_Hispanic_24_BRH600220_B	Urease Treatment:No treatment | Volume Urine (µL):50 | Gender:Female | Solution Added:N/A | Ethnicity:Hispanic	
SUBJECT_SAMPLE_FACTORS           	-	MaleVsFemale_NT_Female_Hispanic_24_BRH600222_C	Urease Treatment:No treatment | Volume Urine (µL):50 | Gender:Female | Solution Added:N/A | Ethnicity:Hispanic	
SUBJECT_SAMPLE_FACTORS           	-	MaleVsFemale_NT_Female_Hispanic_24_BRH600222_D	Urease Treatment:No treatment | Volume Urine (µL):50 | Gender:Female | Solution Added:N/A | Ethnicity:Hispanic	
SUBJECT_SAMPLE_FACTORS           	-	MaleVsFemale_NT_Male_Caucasian_20_BRH600193_A	Urease Treatment:No treatment | Volume Urine (µL):50 | Gender:Male | Solution Added:N/A | Ethnicity:Caucasian	
SUBJECT_SAMPLE_FACTORS           	-	MaleVsFemale_NT_Male_Caucasian_20_BRH600193_B	Urease Treatment:No treatment | Volume Urine (µL):50 | Gender:Male | Solution Added:N/A | Ethnicity:Caucasian	
SUBJECT_SAMPLE_FACTORS           	-	MaleVsFemale_NT_Male_Caucasian_20_BRH600196_A	Urease Treatment:No treatment | Volume Urine (µL):50 | Gender:Male | Solution Added:N/A | Ethnicity:Caucasian	
SUBJECT_SAMPLE_FACTORS           	-	MaleVsFemale_NT_Male_Caucasian_20_BRH600196_B	Urease Treatment:No treatment | Volume Urine (µL):50 | Gender:Male | Solution Added:N/A | Ethnicity:Caucasian	
SUBJECT_SAMPLE_FACTORS           	-	MaleVsFemale_NT_Male_Caucasian_21_BRH600192_A	Urease Treatment:No treatment | Volume Urine (µL):50 | Gender:Male | Solution Added:N/A | Ethnicity:Caucasian	
SUBJECT_SAMPLE_FACTORS           	-	MaleVsFemale_NT_Male_Caucasian_21_BRH600192_B	Urease Treatment:No treatment | Volume Urine (µL):50 | Gender:Male | Solution Added:N/A | Ethnicity:Caucasian	
SUBJECT_SAMPLE_FACTORS           	-	MaleVsFemale_NT_Male_Caucasian_21_BRH600197_C	Urease Treatment:No treatment | Volume Urine (µL):50 | Gender:Male | Solution Added:N/A | Ethnicity:Caucasian	
SUBJECT_SAMPLE_FACTORS           	-	MaleVsFemale_NT_Male_Caucasian_21_BRH600197_D	Urease Treatment:No treatment | Volume Urine (µL):50 | Gender:Male | Solution Added:N/A | Ethnicity:Caucasian	
SUBJECT_SAMPLE_FACTORS           	-	MaleVsFemale_NT_Male_Caucasian_21_BRH600201_A	Urease Treatment:No treatment | Volume Urine (µL):50 | Gender:Male | Solution Added:N/A | Ethnicity:Caucasian	
SUBJECT_SAMPLE_FACTORS           	-	MaleVsFemale_NT_Male_Caucasian_21_BRH600201_B	Urease Treatment:No treatment | Volume Urine (µL):50 | Gender:Male | Solution Added:N/A | Ethnicity:Caucasian	
SUBJECT_SAMPLE_FACTORS           	-	MaleVsFemale_NT_Male_Caucasian_21_BRH600202_C	Urease Treatment:No treatment | Volume Urine (µL):50 | Gender:Male | Solution Added:N/A | Ethnicity:Caucasian	
SUBJECT_SAMPLE_FACTORS           	-	MaleVsFemale_NT_Male_Caucasian_21_BRH600202_D	Urease Treatment:No treatment | Volume Urine (µL):50 | Gender:Male | Solution Added:N/A | Ethnicity:Caucasian	
SUBJECT_SAMPLE_FACTORS           	-	MaleVsFemale_NT_Male_Caucasian_21_BRH600204_C	Urease Treatment:No treatment | Volume Urine (µL):50 | Gender:Male | Solution Added:N/A | Ethnicity:Caucasian	
SUBJECT_SAMPLE_FACTORS           	-	MaleVsFemale_NT_Male_Caucasian_21_BRH600204_D	Urease Treatment:No treatment | Volume Urine (µL):50 | Gender:Male | Solution Added:N/A | Ethnicity:Caucasian	
SUBJECT_SAMPLE_FACTORS           	-	MaleVsFemale_NT_Male_Caucasian_22_BRH600190_A	Urease Treatment:No treatment | Volume Urine (µL):50 | Gender:Male | Solution Added:N/A | Ethnicity:Caucasian	
SUBJECT_SAMPLE_FACTORS           	-	MaleVsFemale_NT_Male_Caucasian_22_BRH600190_B	Urease Treatment:No treatment | Volume Urine (µL):50 | Gender:Male | Solution Added:N/A | Ethnicity:Caucasian	
SUBJECT_SAMPLE_FACTORS           	-	MaleVsFemale_NT_Male_Caucasian_22_BRH600194_C	Urease Treatment:No treatment | Volume Urine (µL):50 | Gender:Male | Solution Added:N/A | Ethnicity:Caucasian	
SUBJECT_SAMPLE_FACTORS           	-	MaleVsFemale_NT_Male_Caucasian_22_BRH600194_D	Urease Treatment:No treatment | Volume Urine (µL):50 | Gender:Male | Solution Added:N/A | Ethnicity:Caucasian	
SUBJECT_SAMPLE_FACTORS           	-	MaleVsFemale_NT_Male_Caucasian_22_BRH600198_A	Urease Treatment:No treatment | Volume Urine (µL):50 | Gender:Male | Solution Added:N/A | Ethnicity:Caucasian	
SUBJECT_SAMPLE_FACTORS           	-	MaleVsFemale_NT_Male_Caucasian_22_BRH600198_B	Urease Treatment:No treatment | Volume Urine (µL):50 | Gender:Male | Solution Added:N/A | Ethnicity:Caucasian	
SUBJECT_SAMPLE_FACTORS           	-	MaleVsFemale_NT_Male_Caucasian_22_BRH600199_C	Urease Treatment:No treatment | Volume Urine (µL):50 | Gender:Male | Solution Added:N/A | Ethnicity:Caucasian	
SUBJECT_SAMPLE_FACTORS           	-	MaleVsFemale_NT_Male_Caucasian_22_BRH600199_D	Urease Treatment:No treatment | Volume Urine (µL):50 | Gender:Male | Solution Added:N/A | Ethnicity:Caucasian	
SUBJECT_SAMPLE_FACTORS           	-	MaleVsFemale_NT_Male_Hispanic_20_BRH600206_C	Urease Treatment:No treatment | Volume Urine (µL):50 | Gender:Male | Solution Added:N/A | Ethnicity:Hispanic	
SUBJECT_SAMPLE_FACTORS           	-	MaleVsFemale_NT_Male_Hispanic_20_BRH600206_D	Urease Treatment:No treatment | Volume Urine (µL):50 | Gender:Male | Solution Added:N/A | Ethnicity:Hispanic	
SUBJECT_SAMPLE_FACTORS           	-	MaleVsFemale_NT_Male_Hispanic_20_BRH600207_C	Urease Treatment:No treatment | Volume Urine (µL):50 | Gender:Male | Solution Added:N/A | Ethnicity:Hispanic	
SUBJECT_SAMPLE_FACTORS           	-	MaleVsFemale_NT_Male_Hispanic_20_BRH600207_D	Urease Treatment:No treatment | Volume Urine (µL):50 | Gender:Male | Solution Added:N/A | Ethnicity:Hispanic	
SUBJECT_SAMPLE_FACTORS           	-	MaleVsFemale_NT_Male_Hispanic_20_BRH600208_C	Urease Treatment:No treatment | Volume Urine (µL):50 | Gender:Male | Solution Added:N/A | Ethnicity:Hispanic	
SUBJECT_SAMPLE_FACTORS           	-	MaleVsFemale_NT_Male_Hispanic_20_BRH600208_D	Urease Treatment:No treatment | Volume Urine (µL):50 | Gender:Male | Solution Added:N/A | Ethnicity:Hispanic	
SUBJECT_SAMPLE_FACTORS           	-	MaleVsFemale_NT_Male_Hispanic_21_BRH600191_A	Urease Treatment:No treatment | Volume Urine (µL):50 | Gender:Male | Solution Added:N/A | Ethnicity:Hispanic	
SUBJECT_SAMPLE_FACTORS           	-	MaleVsFemale_NT_Male_Hispanic_21_BRH600191_B	Urease Treatment:No treatment | Volume Urine (µL):50 | Gender:Male | Solution Added:N/A | Ethnicity:Hispanic	
SUBJECT_SAMPLE_FACTORS           	-	MaleVsFemale_NT_Male_Hispanic_21_BRH600205_A	Urease Treatment:No treatment | Volume Urine (µL):50 | Gender:Male | Solution Added:N/A | Ethnicity:Hispanic	
SUBJECT_SAMPLE_FACTORS           	-	MaleVsFemale_NT_Male_Hispanic_21_BRH600205_B	Urease Treatment:No treatment | Volume Urine (µL):50 | Gender:Male | Solution Added:N/A | Ethnicity:Hispanic	
SUBJECT_SAMPLE_FACTORS           	-	MaleVsFemale_NT_Male_Hispanic_21_BRH600209_C	Urease Treatment:No treatment | Volume Urine (µL):50 | Gender:Male | Solution Added:N/A | Ethnicity:Hispanic	
SUBJECT_SAMPLE_FACTORS           	-	MaleVsFemale_NT_Male_Hispanic_21_BRH600209_D	Urease Treatment:No treatment | Volume Urine (µL):50 | Gender:Male | Solution Added:N/A | Ethnicity:Hispanic	
SUBJECT_SAMPLE_FACTORS           	-	MaleVsFemale_NT_Male_Hispanic_22_BRH600195_C	Urease Treatment:No treatment | Volume Urine (µL):50 | Gender:Male | Solution Added:N/A | Ethnicity:Hispanic	
SUBJECT_SAMPLE_FACTORS           	-	MaleVsFemale_NT_Male_Hispanic_22_BRH600195_D	Urease Treatment:No treatment | Volume Urine (µL):50 | Gender:Male | Solution Added:N/A | Ethnicity:Hispanic	
SUBJECT_SAMPLE_FACTORS           	-	MaleVsFemale_NT_Male_Hispanic_22_BRH600200_A	Urease Treatment:No treatment | Volume Urine (µL):50 | Gender:Male | Solution Added:N/A | Ethnicity:Hispanic	
SUBJECT_SAMPLE_FACTORS           	-	MaleVsFemale_NT_Male_Hispanic_22_BRH600200_B	Urease Treatment:No treatment | Volume Urine (µL):50 | Gender:Male | Solution Added:N/A | Ethnicity:Hispanic	
SUBJECT_SAMPLE_FACTORS           	-	MaleVsFemale_NT_Male_Hispanic_22_BRH600203_A	Urease Treatment:No treatment | Volume Urine (µL):50 | Gender:Male | Solution Added:N/A | Ethnicity:Hispanic	
SUBJECT_SAMPLE_FACTORS           	-	MaleVsFemale_NT_Male_Hispanic_22_BRH600203_B	Urease Treatment:No treatment | Volume Urine (µL):50 | Gender:Male | Solution Added:N/A | Ethnicity:Hispanic	
SUBJECT_SAMPLE_FACTORS           	-	VaryingVolume_NT_50uL_1	Urease Treatment:No treatment | Volume Urine (µL):50 | Gender:N/A | Solution Added:N/A | Ethnicity:N/A	
SUBJECT_SAMPLE_FACTORS           	-	VaryingVolume_NT_50uL_2	Urease Treatment:No treatment | Volume Urine (µL):50 | Gender:N/A | Solution Added:N/A | Ethnicity:N/A	
SUBJECT_SAMPLE_FACTORS           	-	VaryingVolume_NT_50uL_3	Urease Treatment:No treatment | Volume Urine (µL):50 | Gender:N/A | Solution Added:N/A | Ethnicity:N/A	
SUBJECT_SAMPLE_FACTORS           	-	VaryingVolume_NT_5uL_1	Urease Treatment:No treatment | Volume Urine (µL):5 | Gender:N/A | Solution Added:N/A | Ethnicity:N/A	
SUBJECT_SAMPLE_FACTORS           	-	VaryingVolume_NT_5uL_2	Urease Treatment:No treatment | Volume Urine (µL):5 | Gender:N/A | Solution Added:N/A | Ethnicity:N/A	
SUBJECT_SAMPLE_FACTORS           	-	VaryingVolume_NT_5uL_3	Urease Treatment:No treatment | Volume Urine (µL):5 | Gender:N/A | Solution Added:N/A | Ethnicity:N/A	
SUBJECT_SAMPLE_FACTORS           	-	VaryingVolume_UT_100uL_1	Urease Treatment:Urease pre-treatment | Volume Urine (µL):100 | Gender:N/A | Solution Added:N/A | Ethnicity:N/A	
SUBJECT_SAMPLE_FACTORS           	-	VaryingVolume_UT_100uL_2	Urease Treatment:Urease pre-treatment | Volume Urine (µL):100 | Gender:N/A | Solution Added:N/A | Ethnicity:N/A	
SUBJECT_SAMPLE_FACTORS           	-	VaryingVolume_UT_100uL_3	Urease Treatment:Urease pre-treatment | Volume Urine (µL):100 | Gender:N/A | Solution Added:N/A | Ethnicity:N/A	
SUBJECT_SAMPLE_FACTORS           	-	ConstantVolume_UT_1_1	Urease Treatment:Urease pre-treatment | Volume Urine (µL):100 | Gender:N/A | Solution Added:Urease | Ethnicity:N/A	
SUBJECT_SAMPLE_FACTORS           	-	ConstantVolume_UT_1_2	Urease Treatment:Urease pre-treatment | Volume Urine (µL):100 | Gender:N/A | Solution Added:Urease | Ethnicity:N/A	
SUBJECT_SAMPLE_FACTORS           	-	ConstantVolume_UT_1_3	Urease Treatment:Urease pre-treatment | Volume Urine (µL):100 | Gender:N/A | Solution Added:Urease | Ethnicity:N/A	
SUBJECT_SAMPLE_FACTORS           	-	ConstantVolume_UT_2_1	Urease Treatment:Urease pre-treatment | Volume Urine (µL):100 | Gender:N/A | Solution Added:Urease | Ethnicity:N/A	
SUBJECT_SAMPLE_FACTORS           	-	ConstantVolume_UT_2_2	Urease Treatment:Urease pre-treatment | Volume Urine (µL):100 | Gender:N/A | Solution Added:Urease | Ethnicity:N/A	
SUBJECT_SAMPLE_FACTORS           	-	ConstantVolume_UT_2_3	Urease Treatment:Urease pre-treatment | Volume Urine (µL):100 | Gender:N/A | Solution Added:Urease | Ethnicity:N/A	
SUBJECT_SAMPLE_FACTORS           	-	ConstantVolume_UT_3_1	Urease Treatment:Urease pre-treatment | Volume Urine (µL):100 | Gender:N/A | Solution Added:Urease | Ethnicity:N/A	
SUBJECT_SAMPLE_FACTORS           	-	ConstantVolume_UT_3_2	Urease Treatment:Urease pre-treatment | Volume Urine (µL):100 | Gender:N/A | Solution Added:Urease | Ethnicity:N/A	
SUBJECT_SAMPLE_FACTORS           	-	ConstantVolume_UT_3_3	Urease Treatment:Urease pre-treatment | Volume Urine (µL):100 | Gender:N/A | Solution Added:Urease | Ethnicity:N/A	
SUBJECT_SAMPLE_FACTORS           	-	ConstantVolume_UT_4_1	Urease Treatment:Urease pre-treatment | Volume Urine (µL):100 | Gender:N/A | Solution Added:Urease | Ethnicity:N/A	
SUBJECT_SAMPLE_FACTORS           	-	ConstantVolume_UT_4_2	Urease Treatment:Urease pre-treatment | Volume Urine (µL):100 | Gender:N/A | Solution Added:Urease | Ethnicity:N/A	
SUBJECT_SAMPLE_FACTORS           	-	ConstantVolume_UT_4_3	Urease Treatment:Urease pre-treatment | Volume Urine (µL):100 | Gender:N/A | Solution Added:Urease | Ethnicity:N/A	
SUBJECT_SAMPLE_FACTORS           	-	ConstantVolume_UT_5_1	Urease Treatment:Urease pre-treatment | Volume Urine (µL):100 | Gender:N/A | Solution Added:Urease | Ethnicity:N/A	
SUBJECT_SAMPLE_FACTORS           	-	ConstantVolume_UT_5_2	Urease Treatment:Urease pre-treatment | Volume Urine (µL):100 | Gender:N/A | Solution Added:Urease | Ethnicity:N/A	
SUBJECT_SAMPLE_FACTORS           	-	ConstantVolume_UT_5_3	Urease Treatment:Urease pre-treatment | Volume Urine (µL):100 | Gender:N/A | Solution Added:Urease | Ethnicity:N/A	
SUBJECT_SAMPLE_FACTORS           	-	VaryingVolume_UT_10uL_1	Urease Treatment:Urease pre-treatment | Volume Urine (µL):10 | Gender:N/A | Solution Added:N/A | Ethnicity:N/A	
SUBJECT_SAMPLE_FACTORS           	-	VaryingVolume_UT_10uL_2	Urease Treatment:Urease pre-treatment | Volume Urine (µL):10 | Gender:N/A | Solution Added:N/A | Ethnicity:N/A	
SUBJECT_SAMPLE_FACTORS           	-	VaryingVolume_UT_10uL_3	Urease Treatment:Urease pre-treatment | Volume Urine (µL):10 | Gender:N/A | Solution Added:N/A | Ethnicity:N/A	
SUBJECT_SAMPLE_FACTORS           	-	VaryingVolume_UT_25uL_1	Urease Treatment:Urease pre-treatment | Volume Urine (µL):25 | Gender:N/A | Solution Added:N/A | Ethnicity:N/A	
SUBJECT_SAMPLE_FACTORS           	-	VaryingVolume_UT_25uL_2	Urease Treatment:Urease pre-treatment | Volume Urine (µL):25 | Gender:N/A | Solution Added:N/A | Ethnicity:N/A	
SUBJECT_SAMPLE_FACTORS           	-	VaryingVolume_UT_25uL_3	Urease Treatment:Urease pre-treatment | Volume Urine (µL):25 | Gender:N/A | Solution Added:N/A | Ethnicity:N/A	
SUBJECT_SAMPLE_FACTORS           	-	MaleVsFemale_UT_Female_Asian_23_BRH600227_A	Urease Treatment:Urease pre-treatment | Volume Urine (µL):50 | Gender:Female | Solution Added:N/A | Ethnicity:Asian	
SUBJECT_SAMPLE_FACTORS           	-	MaleVsFemale_UT_Female_Asian_23_BRH600227_B	Urease Treatment:Urease pre-treatment | Volume Urine (µL):50 | Gender:Female | Solution Added:N/A | Ethnicity:Asian	
SUBJECT_SAMPLE_FACTORS           	-	MaleVsFemale_UT_Female_Asian_24_BRH600219_C	Urease Treatment:Urease pre-treatment | Volume Urine (µL):50 | Gender:Female | Solution Added:N/A | Ethnicity:Asian	
SUBJECT_SAMPLE_FACTORS           	-	MaleVsFemale_UT_Female_Asian_24_BRH600219_D	Urease Treatment:Urease pre-treatment | Volume Urine (µL):50 | Gender:Female | Solution Added:N/A | Ethnicity:Asian	
SUBJECT_SAMPLE_FACTORS           	-	MaleVsFemale_UT_Female_Black_24_BRH600216_A	Urease Treatment:Urease pre-treatment | Volume Urine (µL):50 | Gender:Female | Solution Added:N/A | Ethnicity:Black	
SUBJECT_SAMPLE_FACTORS           	-	MaleVsFemale_UT_Female_Black_24_BRH600216_B	Urease Treatment:Urease pre-treatment | Volume Urine (µL):50 | Gender:Female | Solution Added:N/A | Ethnicity:Black	
SUBJECT_SAMPLE_FACTORS           	-	MaleVsFemale_UT_Female_Black_24_BRH600226_C	Urease Treatment:Urease pre-treatment | Volume Urine (µL):50 | Gender:Female | Solution Added:N/A | Ethnicity:Black	
SUBJECT_SAMPLE_FACTORS           	-	MaleVsFemale_UT_Female_Black_24_BRH600226_D	Urease Treatment:Urease pre-treatment | Volume Urine (µL):50 | Gender:Female | Solution Added:N/A | Ethnicity:Black	
SUBJECT_SAMPLE_FACTORS           	-	MaleVsFemale_UT_Female_Caucasian_22_BRH600221_C	Urease Treatment:Urease pre-treatment | Volume Urine (µL):50 | Gender:Female | Solution Added:N/A | Ethnicity:Caucasian	
SUBJECT_SAMPLE_FACTORS           	-	MaleVsFemale_UT_Female_Caucasian_22_BRH600221_D	Urease Treatment:Urease pre-treatment | Volume Urine (µL):50 | Gender:Female | Solution Added:N/A | Ethnicity:Caucasian	
SUBJECT_SAMPLE_FACTORS           	-	MaleVsFemale_UT_Female_Caucasian_23_BRH600213_C	Urease Treatment:Urease pre-treatment | Volume Urine (µL):50 | Gender:Female | Solution Added:N/A | Ethnicity:Caucasian	
SUBJECT_SAMPLE_FACTORS           	-	MaleVsFemale_UT_Female_Caucasian_23_BRH600213_D	Urease Treatment:Urease pre-treatment | Volume Urine (µL):50 | Gender:Female | Solution Added:N/A | Ethnicity:Caucasian	
SUBJECT_SAMPLE_FACTORS           	-	MaleVsFemale_UT_Female_Caucasian_23_BRH600214_A	Urease Treatment:Urease pre-treatment | Volume Urine (µL):50 | Gender:Female | Solution Added:N/A | Ethnicity:Caucasian	
SUBJECT_SAMPLE_FACTORS           	-	MaleVsFemale_UT_Female_Caucasian_23_BRH600214_B	Urease Treatment:Urease pre-treatment | Volume Urine (µL):50 | Gender:Female | Solution Added:N/A | Ethnicity:Caucasian	
SUBJECT_SAMPLE_FACTORS           	-	MaleVsFemale_UT_Female_Caucasian_23_BRH600218_A	Urease Treatment:Urease pre-treatment | Volume Urine (µL):50 | Gender:Female | Solution Added:N/A | Ethnicity:Caucasian	
SUBJECT_SAMPLE_FACTORS           	-	MaleVsFemale_UT_Female_Caucasian_23_BRH600218_B	Urease Treatment:Urease pre-treatment | Volume Urine (µL):50 | Gender:Female | Solution Added:N/A | Ethnicity:Caucasian	
SUBJECT_SAMPLE_FACTORS           	-	MaleVsFemale_UT_Female_Caucasian_23_BRH600224_C	Urease Treatment:Urease pre-treatment | Volume Urine (µL):50 | Gender:Female | Solution Added:N/A | Ethnicity:Caucasian	
SUBJECT_SAMPLE_FACTORS           	-	MaleVsFemale_UT_Female_Caucasian_23_BRH600224_D	Urease Treatment:Urease pre-treatment | Volume Urine (µL):50 | Gender:Female | Solution Added:N/A | Ethnicity:Caucasian	
SUBJECT_SAMPLE_FACTORS           	-	MaleVsFemale_UT_Female_Caucasian_23_BRH600225_C	Urease Treatment:Urease pre-treatment | Volume Urine (µL):50 | Gender:Female | Solution Added:N/A | Ethnicity:Caucasian	
SUBJECT_SAMPLE_FACTORS           	-	MaleVsFemale_UT_Female_Caucasian_23_BRH600225_D	Urease Treatment:Urease pre-treatment | Volume Urine (µL):50 | Gender:Female | Solution Added:N/A | Ethnicity:Caucasian	
SUBJECT_SAMPLE_FACTORS           	-	MaleVsFemale_UT_Female_Caucasian_23_BRH600228_A	Urease Treatment:Urease pre-treatment | Volume Urine (µL):50 | Gender:Female | Solution Added:N/A | Ethnicity:Caucasian	
SUBJECT_SAMPLE_FACTORS           	-	MaleVsFemale_UT_Female_Caucasian_23_BRH600228_B	Urease Treatment:Urease pre-treatment | Volume Urine (µL):50 | Gender:Female | Solution Added:N/A | Ethnicity:Caucasian	
SUBJECT_SAMPLE_FACTORS           	-	MaleVsFemale_UT_Female_Caucasian_24_BRH600211_A	Urease Treatment:Urease pre-treatment | Volume Urine (µL):50 | Gender:Female | Solution Added:N/A | Ethnicity:Caucasian	
SUBJECT_SAMPLE_FACTORS           	-	MaleVsFemale_UT_Female_Caucasian_24_BRH600211_B	Urease Treatment:Urease pre-treatment | Volume Urine (µL):50 | Gender:Female | Solution Added:N/A | Ethnicity:Caucasian	
SUBJECT_SAMPLE_FACTORS           	-	MaleVsFemale_UT_Female_Caucasian_24_BRH600215_C	Urease Treatment:Urease pre-treatment | Volume Urine (µL):50 | Gender:Female | Solution Added:N/A | Ethnicity:Caucasian	
SUBJECT_SAMPLE_FACTORS           	-	MaleVsFemale_UT_Female_Caucasian_24_BRH600215_D	Urease Treatment:Urease pre-treatment | Volume Urine (µL):50 | Gender:Female | Solution Added:N/A | Ethnicity:Caucasian	
SUBJECT_SAMPLE_FACTORS           	-	MaleVsFemale_UT_Female_Caucasian_24_BRH600217_C	Urease Treatment:Urease pre-treatment | Volume Urine (µL):50 | Gender:Female | Solution Added:N/A | Ethnicity:Caucasian	
SUBJECT_SAMPLE_FACTORS           	-	MaleVsFemale_UT_Female_Caucasian_24_BRH600217_D	Urease Treatment:Urease pre-treatment | Volume Urine (µL):50 | Gender:Female | Solution Added:N/A | Ethnicity:Caucasian	
SUBJECT_SAMPLE_FACTORS           	-	MaleVsFemale_UT_Female_Caucasian_24_BRH600223_A	Urease Treatment:Urease pre-treatment | Volume Urine (µL):50 | Gender:Female | Solution Added:N/A | Ethnicity:Caucasian	
SUBJECT_SAMPLE_FACTORS           	-	MaleVsFemale_UT_Female_Caucasian_24_BRH600223_B	Urease Treatment:Urease pre-treatment | Volume Urine (µL):50 | Gender:Female | Solution Added:N/A | Ethnicity:Caucasian	
SUBJECT_SAMPLE_FACTORS           	-	MaleVsFemale_UT_Female_Caucasian_24_BRH600229_A	Urease Treatment:Urease pre-treatment | Volume Urine (µL):50 | Gender:Female | Solution Added:N/A | Ethnicity:Caucasian	
SUBJECT_SAMPLE_FACTORS           	-	MaleVsFemale_UT_Female_Caucasian_24_BRH600229_B	Urease Treatment:Urease pre-treatment | Volume Urine (µL):50 | Gender:Female | Solution Added:N/A | Ethnicity:Caucasian	
SUBJECT_SAMPLE_FACTORS           	-	MaleVsFemale_UT_Female_Hispanic_23_BRH600210_A	Urease Treatment:Urease pre-treatment | Volume Urine (µL):50 | Gender:Female | Solution Added:N/A | Ethnicity:Hispanic	
SUBJECT_SAMPLE_FACTORS           	-	MaleVsFemale_UT_Female_Hispanic_23_BRH600210_B	Urease Treatment:Urease pre-treatment | Volume Urine (µL):50 | Gender:Female | Solution Added:N/A | Ethnicity:Hispanic	
SUBJECT_SAMPLE_FACTORS           	-	MaleVsFemale_UT_Female_Hispanic_23_BRH600212_C	Urease Treatment:Urease pre-treatment | Volume Urine (µL):50 | Gender:Female | Solution Added:N/A | Ethnicity:Hispanic	
SUBJECT_SAMPLE_FACTORS           	-	MaleVsFemale_UT_Female_Hispanic_23_BRH600212_D	Urease Treatment:Urease pre-treatment | Volume Urine (µL):50 | Gender:Female | Solution Added:N/A | Ethnicity:Hispanic	
SUBJECT_SAMPLE_FACTORS           	-	MaleVsFemale_UT_Female_Hispanic_24_BRH600220_A	Urease Treatment:Urease pre-treatment | Volume Urine (µL):50 | Gender:Female | Solution Added:N/A | Ethnicity:Hispanic	
SUBJECT_SAMPLE_FACTORS           	-	MaleVsFemale_UT_Female_Hispanic_24_BRH600220_B	Urease Treatment:Urease pre-treatment | Volume Urine (µL):50 | Gender:Female | Solution Added:N/A | Ethnicity:Hispanic	
SUBJECT_SAMPLE_FACTORS           	-	MaleVsFemale_UT_Female_Hispanic_24_BRH600222_C	Urease Treatment:Urease pre-treatment | Volume Urine (µL):50 | Gender:Female | Solution Added:N/A | Ethnicity:Hispanic	
SUBJECT_SAMPLE_FACTORS           	-	MaleVsFemale_UT_Female_Hispanic_24_BRH600222_D	Urease Treatment:Urease pre-treatment | Volume Urine (µL):50 | Gender:Female | Solution Added:N/A | Ethnicity:Hispanic	
SUBJECT_SAMPLE_FACTORS           	-	MaleVsFemale_UT_Male_Caucasian_20_BRH600193_A	Urease Treatment:Urease pre-treatment | Volume Urine (µL):50 | Gender:Male | Solution Added:N/A | Ethnicity:Caucasian	
SUBJECT_SAMPLE_FACTORS           	-	MaleVsFemale_UT_Male_Caucasian_20_BRH600193_B	Urease Treatment:Urease pre-treatment | Volume Urine (µL):50 | Gender:Male | Solution Added:N/A | Ethnicity:Caucasian	
SUBJECT_SAMPLE_FACTORS           	-	MaleVsFemale_UT_Male_Caucasian_20_BRH600196_A	Urease Treatment:Urease pre-treatment | Volume Urine (µL):50 | Gender:Male | Solution Added:N/A | Ethnicity:Caucasian	
SUBJECT_SAMPLE_FACTORS           	-	MaleVsFemale_UT_Male_Caucasian_20_BRH600196_B	Urease Treatment:Urease pre-treatment | Volume Urine (µL):50 | Gender:Male | Solution Added:N/A | Ethnicity:Caucasian	
SUBJECT_SAMPLE_FACTORS           	-	MaleVsFemale_UT_Male_Caucasian_21_BRH600192_A	Urease Treatment:Urease pre-treatment | Volume Urine (µL):50 | Gender:Male | Solution Added:N/A | Ethnicity:Caucasian	
SUBJECT_SAMPLE_FACTORS           	-	MaleVsFemale_UT_Male_Caucasian_21_BRH600192_B	Urease Treatment:Urease pre-treatment | Volume Urine (µL):50 | Gender:Male | Solution Added:N/A | Ethnicity:Caucasian	
SUBJECT_SAMPLE_FACTORS           	-	MaleVsFemale_UT_Male_Caucasian_21_BRH600197_C	Urease Treatment:Urease pre-treatment | Volume Urine (µL):50 | Gender:Male | Solution Added:N/A | Ethnicity:Caucasian	
SUBJECT_SAMPLE_FACTORS           	-	MaleVsFemale_UT_Male_Caucasian_21_BRH600197_D	Urease Treatment:Urease pre-treatment | Volume Urine (µL):50 | Gender:Male | Solution Added:N/A | Ethnicity:Caucasian	
SUBJECT_SAMPLE_FACTORS           	-	MaleVsFemale_UT_Male_Caucasian_21_BRH600201_A	Urease Treatment:Urease pre-treatment | Volume Urine (µL):50 | Gender:Male | Solution Added:N/A | Ethnicity:Caucasian	
SUBJECT_SAMPLE_FACTORS           	-	MaleVsFemale_UT_Male_Caucasian_21_BRH600201_B	Urease Treatment:Urease pre-treatment | Volume Urine (µL):50 | Gender:Male | Solution Added:N/A | Ethnicity:Caucasian	
SUBJECT_SAMPLE_FACTORS           	-	MaleVsFemale_UT_Male_Caucasian_21_BRH600202_C	Urease Treatment:Urease pre-treatment | Volume Urine (µL):50 | Gender:Male | Solution Added:N/A | Ethnicity:Caucasian	
SUBJECT_SAMPLE_FACTORS           	-	MaleVsFemale_UT_Male_Caucasian_21_BRH600202_D	Urease Treatment:Urease pre-treatment | Volume Urine (µL):50 | Gender:Male | Solution Added:N/A | Ethnicity:Caucasian	
SUBJECT_SAMPLE_FACTORS           	-	MaleVsFemale_UT_Male_Caucasian_21_BRH600204_C	Urease Treatment:Urease pre-treatment | Volume Urine (µL):50 | Gender:Male | Solution Added:N/A | Ethnicity:Caucasian	
SUBJECT_SAMPLE_FACTORS           	-	MaleVsFemale_UT_Male_Caucasian_21_BRH600204_D	Urease Treatment:Urease pre-treatment | Volume Urine (µL):50 | Gender:Male | Solution Added:N/A | Ethnicity:Caucasian	
SUBJECT_SAMPLE_FACTORS           	-	MaleVsFemale_UT_Male_Caucasian_22_BRH600190_A	Urease Treatment:Urease pre-treatment | Volume Urine (µL):50 | Gender:Male | Solution Added:N/A | Ethnicity:Caucasian	
SUBJECT_SAMPLE_FACTORS           	-	MaleVsFemale_UT_Male_Caucasian_22_BRH600190_B	Urease Treatment:Urease pre-treatment | Volume Urine (µL):50 | Gender:Male | Solution Added:N/A | Ethnicity:Caucasian	
SUBJECT_SAMPLE_FACTORS           	-	MaleVsFemale_UT_Male_Caucasian_22_BRH600194_C	Urease Treatment:Urease pre-treatment | Volume Urine (µL):50 | Gender:Male | Solution Added:N/A | Ethnicity:Caucasian	
SUBJECT_SAMPLE_FACTORS           	-	MaleVsFemale_UT_Male_Caucasian_22_BRH600194_D	Urease Treatment:Urease pre-treatment | Volume Urine (µL):50 | Gender:Male | Solution Added:N/A | Ethnicity:Caucasian	
SUBJECT_SAMPLE_FACTORS           	-	MaleVsFemale_UT_Male_Caucasian_22_BRH600198_A	Urease Treatment:Urease pre-treatment | Volume Urine (µL):50 | Gender:Male | Solution Added:N/A | Ethnicity:Caucasian	
SUBJECT_SAMPLE_FACTORS           	-	MaleVsFemale_UT_Male_Caucasian_22_BRH600198_B	Urease Treatment:Urease pre-treatment | Volume Urine (µL):50 | Gender:Male | Solution Added:N/A | Ethnicity:Caucasian	
SUBJECT_SAMPLE_FACTORS           	-	MaleVsFemale_UT_Male_Caucasian_22_BRH600199_C	Urease Treatment:Urease pre-treatment | Volume Urine (µL):50 | Gender:Male | Solution Added:N/A | Ethnicity:Caucasian	
SUBJECT_SAMPLE_FACTORS           	-	MaleVsFemale_UT_Male_Caucasian_22_BRH600199_D	Urease Treatment:Urease pre-treatment | Volume Urine (µL):50 | Gender:Male | Solution Added:N/A | Ethnicity:Caucasian	
SUBJECT_SAMPLE_FACTORS           	-	MaleVsFemale_UT_Male_Hispanic_20_BRH600206_C	Urease Treatment:Urease pre-treatment | Volume Urine (µL):50 | Gender:Male | Solution Added:N/A | Ethnicity:Hispanic	
SUBJECT_SAMPLE_FACTORS           	-	MaleVsFemale_UT_Male_Hispanic_20_BRH600206_D	Urease Treatment:Urease pre-treatment | Volume Urine (µL):50 | Gender:Male | Solution Added:N/A | Ethnicity:Hispanic	
SUBJECT_SAMPLE_FACTORS           	-	MaleVsFemale_UT_Male_Hispanic_20_BRH600207_C	Urease Treatment:Urease pre-treatment | Volume Urine (µL):50 | Gender:Male | Solution Added:N/A | Ethnicity:Hispanic	
SUBJECT_SAMPLE_FACTORS           	-	MaleVsFemale_UT_Male_Hispanic_20_BRH600207_D	Urease Treatment:Urease pre-treatment | Volume Urine (µL):50 | Gender:Male | Solution Added:N/A | Ethnicity:Hispanic	
SUBJECT_SAMPLE_FACTORS           	-	MaleVsFemale_UT_Male_Hispanic_20_BRH600208_C	Urease Treatment:Urease pre-treatment | Volume Urine (µL):50 | Gender:Male | Solution Added:N/A | Ethnicity:Hispanic	
SUBJECT_SAMPLE_FACTORS           	-	MaleVsFemale_UT_Male_Hispanic_20_BRH600208_D	Urease Treatment:Urease pre-treatment | Volume Urine (µL):50 | Gender:Male | Solution Added:N/A | Ethnicity:Hispanic	
SUBJECT_SAMPLE_FACTORS           	-	MaleVsFemale_UT_Male_Hispanic_21_BRH600191_A	Urease Treatment:Urease pre-treatment | Volume Urine (µL):50 | Gender:Male | Solution Added:N/A | Ethnicity:Hispanic	
SUBJECT_SAMPLE_FACTORS           	-	MaleVsFemale_UT_Male_Hispanic_21_BRH600191_B	Urease Treatment:Urease pre-treatment | Volume Urine (µL):50 | Gender:Male | Solution Added:N/A | Ethnicity:Hispanic	
SUBJECT_SAMPLE_FACTORS           	-	MaleVsFemale_UT_Male_Hispanic_21_BRH600205_A	Urease Treatment:Urease pre-treatment | Volume Urine (µL):50 | Gender:Male | Solution Added:N/A | Ethnicity:Hispanic	
SUBJECT_SAMPLE_FACTORS           	-	MaleVsFemale_UT_Male_Hispanic_21_BRH600205_B	Urease Treatment:Urease pre-treatment | Volume Urine (µL):50 | Gender:Male | Solution Added:N/A | Ethnicity:Hispanic	
SUBJECT_SAMPLE_FACTORS           	-	MaleVsFemale_UT_Male_Hispanic_21_BRH600209_C	Urease Treatment:Urease pre-treatment | Volume Urine (µL):50 | Gender:Male | Solution Added:N/A | Ethnicity:Hispanic	
SUBJECT_SAMPLE_FACTORS           	-	MaleVsFemale_UT_Male_Hispanic_21_BRH600209_D	Urease Treatment:Urease pre-treatment | Volume Urine (µL):50 | Gender:Male | Solution Added:N/A | Ethnicity:Hispanic	
SUBJECT_SAMPLE_FACTORS           	-	MaleVsFemale_UT_Male_Hispanic_22_BRH600195_C	Urease Treatment:Urease pre-treatment | Volume Urine (µL):50 | Gender:Male | Solution Added:N/A | Ethnicity:Hispanic	
SUBJECT_SAMPLE_FACTORS           	-	MaleVsFemale_UT_Male_Hispanic_22_BRH600195_D	Urease Treatment:Urease pre-treatment | Volume Urine (µL):50 | Gender:Male | Solution Added:N/A | Ethnicity:Hispanic	
SUBJECT_SAMPLE_FACTORS           	-	MaleVsFemale_UT_Male_Hispanic_22_BRH600200_A	Urease Treatment:Urease pre-treatment | Volume Urine (µL):50 | Gender:Male | Solution Added:N/A | Ethnicity:Hispanic	
SUBJECT_SAMPLE_FACTORS           	-	MaleVsFemale_UT_Male_Hispanic_22_BRH600200_B	Urease Treatment:Urease pre-treatment | Volume Urine (µL):50 | Gender:Male | Solution Added:N/A | Ethnicity:Hispanic	
SUBJECT_SAMPLE_FACTORS           	-	MaleVsFemale_UT_Male_Hispanic_22_BRH600203_A	Urease Treatment:Urease pre-treatment | Volume Urine (µL):50 | Gender:Male | Solution Added:N/A | Ethnicity:Hispanic	
SUBJECT_SAMPLE_FACTORS           	-	MaleVsFemale_UT_Male_Hispanic_22_BRH600203_B	Urease Treatment:Urease pre-treatment | Volume Urine (µL):50 | Gender:Male | Solution Added:N/A | Ethnicity:Hispanic	
SUBJECT_SAMPLE_FACTORS           	-	VaryingVolume_UT_50uL_1	Urease Treatment:Urease pre-treatment | Volume Urine (µL):50 | Gender:N/A | Solution Added:N/A | Ethnicity:N/A	
SUBJECT_SAMPLE_FACTORS           	-	VaryingVolume_UT_50uL_2	Urease Treatment:Urease pre-treatment | Volume Urine (µL):50 | Gender:N/A | Solution Added:N/A | Ethnicity:N/A	
SUBJECT_SAMPLE_FACTORS           	-	VaryingVolume_UT_50uL_3	Urease Treatment:Urease pre-treatment | Volume Urine (µL):50 | Gender:N/A | Solution Added:N/A | Ethnicity:N/A	
SUBJECT_SAMPLE_FACTORS           	-	VaryingVolume_UT_5uL_1	Urease Treatment:Urease pre-treatment | Volume Urine (µL):5 | Gender:N/A | Solution Added:N/A | Ethnicity:N/A	
SUBJECT_SAMPLE_FACTORS           	-	VaryingVolume_UT_5uL_2	Urease Treatment:Urease pre-treatment | Volume Urine (µL):5 | Gender:N/A | Solution Added:N/A | Ethnicity:N/A	
SUBJECT_SAMPLE_FACTORS           	-	VaryingVolume_UT_5uL_3	Urease Treatment:Urease pre-treatment | Volume Urine (µL):5 | Gender:N/A | Solution Added:N/A | Ethnicity:N/A	
SUBJECT_SAMPLE_FACTORS           	-	ConstantVolume_WT_1_1	Urease Treatment:Water pre-treatment | Volume Urine (µL):100 | Gender:N/A | Solution Added:Water | Ethnicity:N/A	
SUBJECT_SAMPLE_FACTORS           	-	ConstantVolume_WT_1_2	Urease Treatment:Water pre-treatment | Volume Urine (µL):100 | Gender:N/A | Solution Added:Water | Ethnicity:N/A	
SUBJECT_SAMPLE_FACTORS           	-	ConstantVolume_WT_1_3	Urease Treatment:Water pre-treatment | Volume Urine (µL):100 | Gender:N/A | Solution Added:Water | Ethnicity:N/A	
SUBJECT_SAMPLE_FACTORS           	-	ConstantVolume_WT_2_1	Urease Treatment:Water pre-treatment | Volume Urine (µL):100 | Gender:N/A | Solution Added:Water | Ethnicity:N/A	
SUBJECT_SAMPLE_FACTORS           	-	ConstantVolume_WT_2_2	Urease Treatment:Water pre-treatment | Volume Urine (µL):100 | Gender:N/A | Solution Added:Water | Ethnicity:N/A	
SUBJECT_SAMPLE_FACTORS           	-	ConstantVolume_WT_2_3	Urease Treatment:Water pre-treatment | Volume Urine (µL):100 | Gender:N/A | Solution Added:Water | Ethnicity:N/A	
SUBJECT_SAMPLE_FACTORS           	-	ConstantVolume_WT_3_1	Urease Treatment:Water pre-treatment | Volume Urine (µL):100 | Gender:N/A | Solution Added:Water | Ethnicity:N/A	
SUBJECT_SAMPLE_FACTORS           	-	ConstantVolume_WT_3_2	Urease Treatment:Water pre-treatment | Volume Urine (µL):100 | Gender:N/A | Solution Added:Water | Ethnicity:N/A	
SUBJECT_SAMPLE_FACTORS           	-	ConstantVolume_WT_3_3	Urease Treatment:Water pre-treatment | Volume Urine (µL):100 | Gender:N/A | Solution Added:Water | Ethnicity:N/A	
SUBJECT_SAMPLE_FACTORS           	-	ConstantVolume_WT_4_1	Urease Treatment:Water pre-treatment | Volume Urine (µL):100 | Gender:N/A | Solution Added:Water | Ethnicity:N/A	
SUBJECT_SAMPLE_FACTORS           	-	ConstantVolume_WT_4_2	Urease Treatment:Water pre-treatment | Volume Urine (µL):100 | Gender:N/A | Solution Added:Water | Ethnicity:N/A	
SUBJECT_SAMPLE_FACTORS           	-	ConstantVolume_WT_4_3	Urease Treatment:Water pre-treatment | Volume Urine (µL):100 | Gender:N/A | Solution Added:Water | Ethnicity:N/A	
SUBJECT_SAMPLE_FACTORS           	-	ConstantVolume_WT_5_1	Urease Treatment:Water pre-treatment | Volume Urine (µL):100 | Gender:N/A | Solution Added:Water | Ethnicity:N/A	
SUBJECT_SAMPLE_FACTORS           	-	ConstantVolume_WT_5_2	Urease Treatment:Water pre-treatment | Volume Urine (µL):100 | Gender:N/A | Solution Added:Water | Ethnicity:N/A	
SUBJECT_SAMPLE_FACTORS           	-	ConstantVolume_WT_5_3	Urease Treatment:Water pre-treatment | Volume Urine (µL):100 | Gender:N/A | Solution Added:Water | Ethnicity:N/A	
#COLLECTION
CO:COLLECTION_SUMMARY            	Approval for the conduct of this programmatic research was obtained from the
CO:COLLECTION_SUMMARY            	Northwest National Laboratory Institutional Review Board. Urine samples from
CO:COLLECTION_SUMMARY            	male and female donors (n = 20 each, Supplemental Table S1) after an overnight
CO:COLLECTION_SUMMARY            	were purchased from Bioreclamation, LLC (Hicksville, NY) and received frozen on
CO:COLLECTION_SUMMARY            	ice and deidentified. To create a uniform sample for Experiments 1 and 2 (see
CO:COLLECTION_SUMMARY            	aliquots from each individual sample were pooled, realiquoted, and stored at
CO:COLLECTION_SUMMARY            	until used.
CO:SAMPLE_TYPE                   	Urine
CO:STORAGE_CONDITIONS            	-80° C
#TREATMENT
TR:TREATMENT_SUMMARY             	Varying Volume with Urease / Male vs. Female with Urease / Constant Volume with
TR:TREATMENT_SUMMARY             	/ Constant Volume with 100 µL Water
TR:TREATMENT_PROTOCOL_COMMENTS   	To evaluate whether the effects of urease pre-treatment of urine varied with
TR:TREATMENT_PROTOCOL_COMMENTS   	volume of urine prepared, we compared the urine metabolite profiles from pooled
TR:TREATMENT_PROTOCOL_COMMENTS   	after pre-treatment with urease (UT) and after no treatment (NT) using various
TR:TREATMENT_PROTOCOL_COMMENTS   	of urine. For this, several volumes (5, 10, 25, 50, and 100 µL) of the pooled
TR:TREATMENT_PROTOCOL_COMMENTS   	sample were incubated (n = 3, each) with 100 µL of a 1 mg/mL solution of
TR:TREATMENT_PROTOCOL_COMMENTS   	or were not subjected to any treatment. / Finally, to evaluate whether any
TR:TREATMENT_PROTOCOL_COMMENTS   	introduced by urease pre-treatment on the urinary metabolome interfered with
TR:TREATMENT_PROTOCOL_COMMENTS   	ability to distinguish between comparative samples, we compared the metabolite
TR:TREATMENT_PROTOCOL_COMMENTS   	from individual male and female urine samples after pre-treatment with urease
TR:TREATMENT_PROTOCOL_COMMENTS   	after no treatment (previous metabolomics studies of male and female urines
TR:TREATMENT_PROTOCOL_COMMENTS   	et al., 2008; Slupsky et al., 2007; Saude et al., 2007; Psihogios et al., 2008)
TR:TREATMENT_PROTOCOL_COMMENTS   	reported differences in metabolite levels). For this, 50 µL aliquots of
TR:TREATMENT_PROTOCOL_COMMENTS   	male and female urine samples (n = 20, each) were blocked, randomized, and then
TR:TREATMENT_PROTOCOL_COMMENTS   	with 50 µL of a 1 mg/mL solution of urease (UT) or were not subjected to any
TR:TREATMENT_PROTOCOL_COMMENTS   	(NT), each as described above. / To initially evaluate the effects of urease
TR:TREATMENT_PROTOCOL_COMMENTS   	on the urinary metabolome, we compared the urine metabolite profiles from
TR:TREATMENT_PROTOCOL_COMMENTS   	urine after pre-treatment with urease, water, or no treatment at all. For this,
TR:TREATMENT_PROTOCOL_COMMENTS   	uL aliquots of the pooled urine sample were incubated (n = 5, each) with 100 uL
TR:TREATMENT_PROTOCOL_COMMENTS   	a 1 mg/mL solution of urease (Sigma-Aldrich catalog number U4002) prepared in
TR:TREATMENT_PROTOCOL_COMMENTS   	(urease-treated; ‘UT’) or an equal volume of water alone (water-treated;
TR:TREATMENT_PROTOCOL_COMMENTS   	for 30 min at 37 C with mild shaking (500 rpm). Identical aliquots (n = 5) were
TR:TREATMENT_PROTOCOL_COMMENTS   	subjected to any treatment (no treatment; ‘NT’) and allowed to sit at room
TR:TREATMENT_PROTOCOL_COMMENTS   	for 30 min. / To initially evaluate the effects of urease pre-treatment on the
TR:TREATMENT_PROTOCOL_COMMENTS   	metabolome, we compared the urine metabolite profiles from pooled urine after
TR:TREATMENT_PROTOCOL_COMMENTS   	with urease, water, or no treatment at all. For this, 100 uL aliquots of the
TR:TREATMENT_PROTOCOL_COMMENTS   	urine sample were incubated (n = 5, each) with 100 uL of a 1 mg/mL solution of
TR:TREATMENT_PROTOCOL_COMMENTS   	(Sigma-Aldrich catalog number U4002) prepared in water (urease-treated; ‘UT’)
TR:TREATMENT_PROTOCOL_COMMENTS   	an equal volume of water alone (water-treated; ‘WT’) for 30 min at 37 C with
TR:TREATMENT_PROTOCOL_COMMENTS   	shaking (500 rpm). Identical aliquots (n = 5) were not subjected to any
TR:TREATMENT_PROTOCOL_COMMENTS   	(no treatment; ‘NT’) and allowed to sit at room temperature for 30 min.
TR:TREATMENT                     	Abiotic
TR:TREATMENT_COMPOUND            	Urease / Urease / Urease / Water
TR:TREATMENT_DOSE                	1 mg/ml / 1 mg/ml / 1 mg/ml / --
TR:TREATMENT_DOSEVOLUME          	100 µL / 50 µL / 100 µL / 100 µL
TR:HUMAN_FASTING                 	Overnight Fast
#SAMPLEPREP
SP:SAMPLEPREP_SUMMARY            	concomitant protein precipitation with cold methanol, vortexing,
SP:SAMPLEPREP_SUMMARY            	supernatent dried in vacuo, stored at -80° c, chemical derivitization
SP:SAMPLEPREP_PROTOCOL_COMMENTS  	Metabolites were extracted with concomitant protein precipitation by addition
SP:SAMPLEPREP_PROTOCOL_COMMENTS  	1 mL of cold (-20 C) methanol with vortexing for 30 s, and precipitated
SP:SAMPLEPREP_PROTOCOL_COMMENTS  	were removed by centrifugation at 15,000xg for 10 min at 4 C. The supernatants
SP:SAMPLEPREP_PROTOCOL_COMMENTS  	transferred to glass autosampler vials and then dried in vacuo prior to
SP:SAMPLEPREP_PROTOCOL_COMMENTS  	derivatization. If the extracts could not be immediately derivatized an d
SP:SAMPLEPREP_PROTOCOL_COMMENTS  	by GC–MS, then they were stored at -80C. Dried metabolite extracts were
SP:SAMPLEPREP_PROTOCOL_COMMENTS  	derivatized using a modified version of the protocol used to create FiehnLib
SP:SAMPLEPREP_PROTOCOL_COMMENTS  	et al., 2009). Briefly, dried metabolite extracts were dried again to remove
SP:SAMPLEPREP_PROTOCOL_COMMENTS  	residual water if they had been stored at -80°C. To protect carbonyl groups
SP:SAMPLEPREP_PROTOCOL_COMMENTS  	reduce the number of tautomeric isomers, 20 µL of methoxyamine in pyridine (30
SP:SAMPLEPREP_PROTOCOL_COMMENTS  	were added to each sample, followed by vortexing for 30 s and incubation at
SP:SAMPLEPREP_PROTOCOL_COMMENTS  	with generous shaking (1000 rpm) for 90 min. At this point, the sample vials
SP:SAMPLEPREP_PROTOCOL_COMMENTS  	inverted one time to capture any condensation of solvent at the cap surface,
SP:SAMPLEPREP_PROTOCOL_COMMENTS  	by a brief centrifugation at 1000×g for 1 min. To derivatize hydroxyl and
SP:SAMPLEPREP_PROTOCOL_COMMENTS  	groups to trimethylsilyated (TMS) forms, 80 µL of
SP:SAMPLEPREP_PROTOCOL_COMMENTS  	(MSTFA) with 1% trimethylchlorosilane (TMCS) were then added to each vial,
SP:SAMPLEPREP_PROTOCOL_COMMENTS  	by vortexing for 10 s and incubation at 37°C with shaking (1000 rpm) for 30
SP:SAMPLEPREP_PROTOCOL_COMMENTS  	Again, the sample vials were inverted one time, followed by centrifugation at
SP:SAMPLEPREP_PROTOCOL_COMMENTS  	for 5 min. The samples were allowed to cool to room temperature and were
SP:SAMPLEPREP_PROTOCOL_COMMENTS  	in the same day.
SP:PROCESSING_METHOD             	precipitation, centrifugation
SP:PROCESSING_STORAGE_CONDITIONS 	dried in vacuo, stored at -80° C
SP:EXTRACTION_METHOD             	concomitant protein precipitation by addition of 1 mL of cold (-20 C) methanol
SP:EXTRACTION_METHOD             	vortexing and centrifugation
SP:EXTRACT_ENRICHMENT            	dried in vacuo
SP:EXTRACT_STORAGE               	-80° C
SP:SAMPLE_RESUSPENSION           	20 µL of methoxyamine in pyridine (30 mg/mL)
SP:SAMPLE_DERIVATIZATION         	20 µL of methoxyamine in pyridine (30 mg/mL), 80 µL of
SP:SAMPLE_DERIVATIZATION         	(MSTFA) with 1% trimethylchlorosilane (TMCS)
#CHROMATOGRAPHY
CH:CHROMATOGRAPHY_SUMMARY        	Agilent 7890A gas chromatograph with a HP-5MS gas chromatography column using
CH:CHROMATOGRAPHY_TYPE           	GC
CH:INSTRUMENT_NAME               	Agilent 7890A
CH:COLUMN_NAME                   	Agilent HP5-MS (30m × 0.25mm, 0.25 um)
CH:CHROMATOGRAPHY_COMMENTS       	Chromatography was carried out on an Agilent 7890A gas chromatograph using the
CH:CHROMATOGRAPHY_COMMENTS       	software (Chemstation) and a HP-5MS gas chromatography column (Agilent
CH:CHROMATOGRAPHY_COMMENTS       	Santa Clara, CA; 30 m x 0.25 mm x 0.25 m film thickness). The sample injection
CH:CHROMATOGRAPHY_COMMENTS       	was splitless, and 1 L of each sample was injected. The injection port
CH:CHROMATOGRAPHY_COMMENTS       	was held at 250 C throughout the analysis. The GC oven was held at 60 C for 1
CH:CHROMATOGRAPHY_COMMENTS       	after injection, and the temperature was then increased to 325 C by 10 C/min,
CH:CHROMATOGRAPHY_COMMENTS       	by a 5 min hold at 325 C. The helium gas flow rates for each Experiment were
CH:CHROMATOGRAPHY_COMMENTS       	by the Agilent Retention Time Locking function based on analysis of deuterated
CH:CHROMATOGRAPHY_COMMENTS       	acid and were in the range of 0.450.5 mL/min.
CH:FLOW_RATE                     	0.450.5 mL/min
CH:INJECTION_TEMPERATURE         	250 C
CH:SAMPLE_INJECTION              	1 L, splitless
CH:ANALYTICAL_TIME               	37.5 min
CH:OVEN_TEMPERATURE              	60 C for 1 min, then increased to 325 C by 10 C/min, followed by a 5 min hold
CH:OVEN_TEMPERATURE              	325 C
CH:SAMPLE_SYRINGE_SIZE           	10 L
#ANALYSIS
AN:ANALYSIS_TYPE                 	MS
AN:LABORATORY_NAME               	Biological Separations & Mass Spectrometry group, Pacific Northwest National
AN:LABORATORY_NAME               	(www.omics.pnl.gov)
AN:ACQUISITION_DATE              	2013
AN:SOFTWARE_VERSION              	Metabolite Detector vs. 2.0.6 beta
AN:DATA_FORMAT                   	Raw .D.Zip; Processed .CDF
#MS
MS:INSTRUMENT_NAME               	Agilent 5975C
MS:INSTRUMENT_TYPE               	Single quadrupole
MS:MS_TYPE                       	EI
MS:ION_MODE                      	POSITIVE
MS:MS_COMMENTS                   	An Agilent GC 7890A coupled with a single quadrupole MSD 5975C (Agilent
MS:MS_COMMENTS                   	Inc.; Santa Clara, CA, USA) was used, and the samples were blocked and analyzed
MS:MS_COMMENTS                   	random order for each experiment. Data were collected over the mass range
MS:MS_COMMENTS                   	m/z. A mixture of FAMEs (C8-C28) was analyzed once per day together with the
MS:MS_COMMENTS                   	for retention index alignment purposes during subsequent data analysis.
MS:SCAN_RANGE_MOVERZ             	50-550 m/z
MS:MS_COMMENTS                   	GC–MS raw data files from each Experiment were processed using the Metabolite
MS:MS_COMMENTS                   	software, version 2.0.6 beta. Briefly, Agilent.D files were converted to netCDF
MS:MS_COMMENTS                   	using Agilent Chemstation, followed by conversion to binary files using
MS:MS_COMMENTS                   	Detector. Retention indices of detected metabolites were calculated based on
MS:MS_COMMENTS                   	analysis of the FAMEs mixture, followed by their chromatographic alignment
MS:MS_COMMENTS                   	all analyses after deconvolution. Metabolites were initially identified by
MS:MS_COMMENTS                   	experimental spectra to an augmented version of FiehnLib (i.e., the Agilent
MS:MS_COMMENTS                   	Metabolomics Retention Time Locked (RTL) Library, containing spectra and
MS:MS_COMMENTS                   	retention indices for over 700 metabolites), using a Metabolite Detector match
MS:MS_COMMENTS                   	threshold of 0.6 (combined retention index and spectral probability). All
MS:MS_COMMENTS                   	identifications were manually validated to reduce deconvolution errors during
MS:MS_COMMENTS                   	data-processing and to eliminate false identifications. The NIST 08 GC–MS
MS:MS_COMMENTS                   	was also used to cross validate the spectral matching scores obtained using the
MS:MS_COMMENTS                   	library and to provide identifications of unmatched metabolites. The three most
MS:MS_COMMENTS                   	fragment ions in the spectra of each identified metabolite were automatically
MS:MS_COMMENTS                   	by Metabolite Detector, and their summed abundances were integrated across the
MS:MS_COMMENTS                   	elution profile; fragment ions due to trimethylsilylation (i.e. m/z 73 and 147)
MS:MS_COMMENTS                   	excluded from the determination of metabolite abundance. A matrix of identified
MS:MS_COMMENTS                   	unidentified metabolite features (characterized by mass spectra and retention
MS:MS_COMMENTS                   	and assigned as ‘unknown’), and their abundances was created for each
MS:MS_COMMENTS                   	for statistical analysis. Features resulting from GC column bleeding were
MS:MS_COMMENTS                   	from the data matrices prior to further data processing and analysis.
#MS_METABOLITE_DATA
MS_METABOLITE_DATA:UNITS         	Peak area
MS_METABOLITE_DATA_START
Samples	VaryingVolume_NT_100uL_1	VaryingVolume_NT_100uL_2	VaryingVolume_NT_100uL_3	ConstantVolume_NT_1_1	ConstantVolume_NT_1_2	ConstantVolume_NT_1_3	ConstantVolume_NT_2_1	ConstantVolume_NT_2_2	ConstantVolume_NT_2_3	ConstantVolume_NT_3_1	ConstantVolume_NT_3_2	ConstantVolume_NT_3_3	ConstantVolume_NT_4_1	ConstantVolume_NT_4_2	ConstantVolume_NT_4_3	ConstantVolume_NT_5_1	ConstantVolume_NT_5_2	ConstantVolume_NT_5_3	VaryingVolume_NT_10uL_1	VaryingVolume_NT_10uL_2	VaryingVolume_NT_10uL_3	VaryingVolume_NT_25uL_1	VaryingVolume_NT_25uL_2	VaryingVolume_NT_25uL_3	MaleVsFemale_NT_Female_Asian_23_BRH600227_A	MaleVsFemale_NT_Female_Asian_23_BRH600227_B	MaleVsFemale_NT_Female_Asian_24_BRH600219_C	MaleVsFemale_NT_Female_Asian_24_BRH600219_D	MaleVsFemale_NT_Female_Black_24_BRH600216_A	MaleVsFemale_NT_Female_Black_24_BRH600216_B	MaleVsFemale_NT_Female_Black_24_BRH600226_C	MaleVsFemale_NT_Female_Black_24_BRH600226_D	MaleVsFemale_NT_Female_Caucasian_22_BRH600221_C	MaleVsFemale_NT_Female_Caucasian_22_BRH600221_D	MaleVsFemale_NT_Female_Caucasian_23_BRH600213_C	MaleVsFemale_NT_Female_Caucasian_23_BRH600213_D	MaleVsFemale_NT_Female_Caucasian_23_BRH600214_A	MaleVsFemale_NT_Female_Caucasian_23_BRH600214_B	MaleVsFemale_NT_Female_Caucasian_23_BRH600218_A	MaleVsFemale_NT_Female_Caucasian_23_BRH600218_B	MaleVsFemale_NT_Female_Caucasian_23_BRH600224_C	MaleVsFemale_NT_Female_Caucasian_23_BRH600224_D	MaleVsFemale_NT_Female_Caucasian_23_BRH600225_C	MaleVsFemale_NT_Female_Caucasian_23_BRH600225_D	MaleVsFemale_NT_Female_Caucasian_23_BRH600228_A	MaleVsFemale_NT_Female_Caucasian_23_BRH600228_B	MaleVsFemale_NT_Female_Caucasian_24_BRH600211_A	MaleVsFemale_NT_Female_Caucasian_24_BRH600211_B	MaleVsFemale_NT_Female_Caucasian_24_BRH600215_C	MaleVsFemale_NT_Female_Caucasian_24_BRH600215_D	MaleVsFemale_NT_Female_Caucasian_24_BRH600217_C	MaleVsFemale_NT_Female_Caucasian_24_BRH600217_D	MaleVsFemale_NT_Female_Caucasian_24_BRH600223_A	MaleVsFemale_NT_Female_Caucasian_24_BRH600223_B	MaleVsFemale_NT_Female_Caucasian_24_BRH600229_A	MaleVsFemale_NT_Female_Caucasian_24_BRH600229_B	MaleVsFemale_NT_Female_Hispanic_23_BRH600210_A	MaleVsFemale_NT_Female_Hispanic_23_BRH600210_B	MaleVsFemale_NT_Female_Hispanic_23_BRH600212_C	MaleVsFemale_NT_Female_Hispanic_23_BRH600212_D	MaleVsFemale_NT_Female_Hispanic_24_BRH600220_A	MaleVsFemale_NT_Female_Hispanic_24_BRH600220_B	MaleVsFemale_NT_Female_Hispanic_24_BRH600222_C	MaleVsFemale_NT_Female_Hispanic_24_BRH600222_D	MaleVsFemale_NT_Male_Caucasian_20_BRH600193_A	MaleVsFemale_NT_Male_Caucasian_20_BRH600193_B	MaleVsFemale_NT_Male_Caucasian_20_BRH600196_A	MaleVsFemale_NT_Male_Caucasian_20_BRH600196_B	MaleVsFemale_NT_Male_Caucasian_21_BRH600192_A	MaleVsFemale_NT_Male_Caucasian_21_BRH600192_B	MaleVsFemale_NT_Male_Caucasian_21_BRH600197_C	MaleVsFemale_NT_Male_Caucasian_21_BRH600197_D	MaleVsFemale_NT_Male_Caucasian_21_BRH600201_A	MaleVsFemale_NT_Male_Caucasian_21_BRH600201_B	MaleVsFemale_NT_Male_Caucasian_21_BRH600202_C	MaleVsFemale_NT_Male_Caucasian_21_BRH600202_D	MaleVsFemale_NT_Male_Caucasian_21_BRH600204_C	MaleVsFemale_NT_Male_Caucasian_21_BRH600204_D	MaleVsFemale_NT_Male_Caucasian_22_BRH600190_A	MaleVsFemale_NT_Male_Caucasian_22_BRH600190_B	MaleVsFemale_NT_Male_Caucasian_22_BRH600194_C	MaleVsFemale_NT_Male_Caucasian_22_BRH600194_D	MaleVsFemale_NT_Male_Caucasian_22_BRH600198_A	MaleVsFemale_NT_Male_Caucasian_22_BRH600198_B	MaleVsFemale_NT_Male_Caucasian_22_BRH600199_C	MaleVsFemale_NT_Male_Caucasian_22_BRH600199_D	MaleVsFemale_NT_Male_Hispanic_20_BRH600206_C	MaleVsFemale_NT_Male_Hispanic_20_BRH600206_D	MaleVsFemale_NT_Male_Hispanic_20_BRH600207_C	MaleVsFemale_NT_Male_Hispanic_20_BRH600207_D	MaleVsFemale_NT_Male_Hispanic_20_BRH600208_C	MaleVsFemale_NT_Male_Hispanic_20_BRH600208_D	MaleVsFemale_NT_Male_Hispanic_21_BRH600191_A	MaleVsFemale_NT_Male_Hispanic_21_BRH600191_B	MaleVsFemale_NT_Male_Hispanic_21_BRH600205_A	MaleVsFemale_NT_Male_Hispanic_21_BRH600205_B	MaleVsFemale_NT_Male_Hispanic_21_BRH600209_C	MaleVsFemale_NT_Male_Hispanic_21_BRH600209_D	MaleVsFemale_NT_Male_Hispanic_22_BRH600195_C	MaleVsFemale_NT_Male_Hispanic_22_BRH600195_D	MaleVsFemale_NT_Male_Hispanic_22_BRH600200_A	MaleVsFemale_NT_Male_Hispanic_22_BRH600200_B	MaleVsFemale_NT_Male_Hispanic_22_BRH600203_A	MaleVsFemale_NT_Male_Hispanic_22_BRH600203_B	VaryingVolume_NT_50uL_1	VaryingVolume_NT_50uL_2	VaryingVolume_NT_50uL_3	VaryingVolume_NT_5uL_1	VaryingVolume_NT_5uL_2	VaryingVolume_NT_5uL_3	VaryingVolume_UT_100uL_1	VaryingVolume_UT_100uL_2	VaryingVolume_UT_100uL_3	ConstantVolume_UT_1_1	ConstantVolume_UT_1_2	ConstantVolume_UT_1_3	ConstantVolume_UT_2_1	ConstantVolume_UT_2_2	ConstantVolume_UT_2_3	ConstantVolume_UT_3_1	ConstantVolume_UT_3_2	ConstantVolume_UT_3_3	ConstantVolume_UT_4_1	ConstantVolume_UT_4_2	ConstantVolume_UT_4_3	ConstantVolume_UT_5_1	ConstantVolume_UT_5_2	ConstantVolume_UT_5_3	VaryingVolume_UT_10uL_1	VaryingVolume_UT_10uL_2	VaryingVolume_UT_10uL_3	VaryingVolume_UT_25uL_1	VaryingVolume_UT_25uL_2	VaryingVolume_UT_25uL_3	MaleVsFemale_UT_Female_Asian_23_BRH600227_A	MaleVsFemale_UT_Female_Asian_23_BRH600227_B	MaleVsFemale_UT_Female_Asian_24_BRH600219_C	MaleVsFemale_UT_Female_Asian_24_BRH600219_D	MaleVsFemale_UT_Female_Black_24_BRH600216_A	MaleVsFemale_UT_Female_Black_24_BRH600216_B	MaleVsFemale_UT_Female_Black_24_BRH600226_C	MaleVsFemale_UT_Female_Black_24_BRH600226_D	MaleVsFemale_UT_Female_Caucasian_22_BRH600221_C	MaleVsFemale_UT_Female_Caucasian_22_BRH600221_D	MaleVsFemale_UT_Female_Caucasian_23_BRH600213_C	MaleVsFemale_UT_Female_Caucasian_23_BRH600213_D	MaleVsFemale_UT_Female_Caucasian_23_BRH600214_A	MaleVsFemale_UT_Female_Caucasian_23_BRH600214_B	MaleVsFemale_UT_Female_Caucasian_23_BRH600218_A	MaleVsFemale_UT_Female_Caucasian_23_BRH600218_B	MaleVsFemale_UT_Female_Caucasian_23_BRH600224_C	MaleVsFemale_UT_Female_Caucasian_23_BRH600224_D	MaleVsFemale_UT_Female_Caucasian_23_BRH600225_C	MaleVsFemale_UT_Female_Caucasian_23_BRH600225_D	MaleVsFemale_UT_Female_Caucasian_23_BRH600228_A	MaleVsFemale_UT_Female_Caucasian_23_BRH600228_B	MaleVsFemale_UT_Female_Caucasian_24_BRH600211_A	MaleVsFemale_UT_Female_Caucasian_24_BRH600211_B	MaleVsFemale_UT_Female_Caucasian_24_BRH600215_C	MaleVsFemale_UT_Female_Caucasian_24_BRH600215_D	MaleVsFemale_UT_Female_Caucasian_24_BRH600217_C	MaleVsFemale_UT_Female_Caucasian_24_BRH600217_D	MaleVsFemale_UT_Female_Caucasian_24_BRH600223_A	MaleVsFemale_UT_Female_Caucasian_24_BRH600223_B	MaleVsFemale_UT_Female_Caucasian_24_BRH600229_A	MaleVsFemale_UT_Female_Caucasian_24_BRH600229_B	MaleVsFemale_UT_Female_Hispanic_23_BRH600210_A	MaleVsFemale_UT_Female_Hispanic_23_BRH600210_B	MaleVsFemale_UT_Female_Hispanic_23_BRH600212_C	MaleVsFemale_UT_Female_Hispanic_23_BRH600212_D	MaleVsFemale_UT_Female_Hispanic_24_BRH600220_A	MaleVsFemale_UT_Female_Hispanic_24_BRH600220_B	MaleVsFemale_UT_Female_Hispanic_24_BRH600222_C	MaleVsFemale_UT_Female_Hispanic_24_BRH600222_D	MaleVsFemale_UT_Male_Caucasian_20_BRH600193_A	MaleVsFemale_UT_Male_Caucasian_20_BRH600193_B	MaleVsFemale_UT_Male_Caucasian_20_BRH600196_A	MaleVsFemale_UT_Male_Caucasian_20_BRH600196_B	MaleVsFemale_UT_Male_Caucasian_21_BRH600192_A	MaleVsFemale_UT_Male_Caucasian_21_BRH600192_B	MaleVsFemale_UT_Male_Caucasian_21_BRH600197_C	MaleVsFemale_UT_Male_Caucasian_21_BRH600197_D	MaleVsFemale_UT_Male_Caucasian_21_BRH600201_A	MaleVsFemale_UT_Male_Caucasian_21_BRH600201_B	MaleVsFemale_UT_Male_Caucasian_21_BRH600202_C	MaleVsFemale_UT_Male_Caucasian_21_BRH600202_D	MaleVsFemale_UT_Male_Caucasian_21_BRH600204_C	MaleVsFemale_UT_Male_Caucasian_21_BRH600204_D	MaleVsFemale_UT_Male_Caucasian_22_BRH600190_A	MaleVsFemale_UT_Male_Caucasian_22_BRH600190_B	MaleVsFemale_UT_Male_Caucasian_22_BRH600194_C	MaleVsFemale_UT_Male_Caucasian_22_BRH600194_D	MaleVsFemale_UT_Male_Caucasian_22_BRH600198_A	MaleVsFemale_UT_Male_Caucasian_22_BRH600198_B	MaleVsFemale_UT_Male_Caucasian_22_BRH600199_C	MaleVsFemale_UT_Male_Caucasian_22_BRH600199_D	MaleVsFemale_UT_Male_Hispanic_20_BRH600206_C	MaleVsFemale_UT_Male_Hispanic_20_BRH600206_D	MaleVsFemale_UT_Male_Hispanic_20_BRH600207_C	MaleVsFemale_UT_Male_Hispanic_20_BRH600207_D	MaleVsFemale_UT_Male_Hispanic_20_BRH600208_C	MaleVsFemale_UT_Male_Hispanic_20_BRH600208_D	MaleVsFemale_UT_Male_Hispanic_21_BRH600191_A	MaleVsFemale_UT_Male_Hispanic_21_BRH600191_B	MaleVsFemale_UT_Male_Hispanic_21_BRH600205_A	MaleVsFemale_UT_Male_Hispanic_21_BRH600205_B	MaleVsFemale_UT_Male_Hispanic_21_BRH600209_C	MaleVsFemale_UT_Male_Hispanic_21_BRH600209_D	MaleVsFemale_UT_Male_Hispanic_22_BRH600195_C	MaleVsFemale_UT_Male_Hispanic_22_BRH600195_D	MaleVsFemale_UT_Male_Hispanic_22_BRH600200_A	MaleVsFemale_UT_Male_Hispanic_22_BRH600200_B	MaleVsFemale_UT_Male_Hispanic_22_BRH600203_A	MaleVsFemale_UT_Male_Hispanic_22_BRH600203_B	VaryingVolume_UT_50uL_1	VaryingVolume_UT_50uL_2	VaryingVolume_UT_50uL_3	VaryingVolume_UT_5uL_1	VaryingVolume_UT_5uL_2	VaryingVolume_UT_5uL_3	ConstantVolume_WT_1_1	ConstantVolume_WT_1_2	ConstantVolume_WT_1_3	ConstantVolume_WT_2_1	ConstantVolume_WT_2_2	ConstantVolume_WT_2_3	ConstantVolume_WT_3_1	ConstantVolume_WT_3_2	ConstantVolume_WT_3_3	ConstantVolume_WT_4_1	ConstantVolume_WT_4_2	ConstantVolume_WT_4_3	ConstantVolume_WT_5_1	ConstantVolume_WT_5_2	ConstantVolume_WT_5_3
Factors	Urease Treatment:No treatment | Volume Urine (µL):100 | Gender:N/A | Solution Added:N/A | Ethnicity:N/A	Urease Treatment:No treatment | Volume Urine (µL):100 | Gender:N/A | Solution Added:N/A | Ethnicity:N/A	Urease Treatment:No treatment | Volume Urine (µL):100 | Gender:N/A | Solution Added:N/A | Ethnicity:N/A	Urease Treatment:No treatment | Volume Urine (µL):100 | Gender:N/A | Solution Added:None | Ethnicity:N/A	Urease Treatment:No treatment | Volume Urine (µL):100 | Gender:N/A | Solution Added:None | Ethnicity:N/A	Urease Treatment:No treatment | Volume Urine (µL):100 | Gender:N/A | Solution Added:None | Ethnicity:N/A	Urease Treatment:No treatment | Volume Urine (µL):100 | Gender:N/A | Solution Added:None | Ethnicity:N/A	Urease Treatment:No treatment | Volume Urine (µL):100 | Gender:N/A | Solution Added:None | Ethnicity:N/A	Urease Treatment:No treatment | Volume Urine (µL):100 | Gender:N/A | Solution Added:None | Ethnicity:N/A	Urease Treatment:No treatment | Volume Urine (µL):100 | Gender:N/A | Solution Added:None | Ethnicity:N/A	Urease Treatment:No treatment | Volume Urine (µL):100 | Gender:N/A | Solution Added:None | Ethnicity:N/A	Urease Treatment:No treatment | Volume Urine (µL):100 | Gender:N/A | Solution Added:None | Ethnicity:N/A	Urease Treatment:No treatment | Volume Urine (µL):100 | Gender:N/A | Solution Added:None | Ethnicity:N/A	Urease Treatment:No treatment | Volume Urine (µL):100 | Gender:N/A | Solution Added:None | Ethnicity:N/A	Urease Treatment:No treatment | Volume Urine (µL):100 | Gender:N/A | Solution Added:None | Ethnicity:N/A	Urease Treatment:No treatment | Volume Urine (µL):100 | Gender:N/A | Solution Added:None | Ethnicity:N/A	Urease Treatment:No treatment | Volume Urine (µL):100 | Gender:N/A | Solution Added:None | Ethnicity:N/A	Urease Treatment:No treatment | Volume Urine (µL):100 | Gender:N/A | Solution Added:None | Ethnicity:N/A	Urease Treatment:No treatment | Volume Urine (µL):10 | Gender:N/A | Solution Added:N/A | Ethnicity:N/A	Urease Treatment:No treatment | Volume Urine (µL):10 | Gender:N/A | Solution Added:N/A | Ethnicity:N/A	Urease Treatment:No treatment | Volume Urine (µL):10 | Gender:N/A | Solution Added:N/A | Ethnicity:N/A	Urease Treatment:No treatment | Volume Urine (µL):25 | Gender:N/A | Solution Added:N/A | Ethnicity:N/A	Urease Treatment:No treatment | Volume Urine (µL):25 | Gender:N/A | Solution Added:N/A | Ethnicity:N/A	Urease Treatment:No treatment | Volume Urine (µL):25 | Gender:N/A | Solution Added:N/A | Ethnicity:N/A	Urease Treatment:No treatment | Volume Urine (µL):50 | Gender:Female | Solution Added:N/A | Ethnicity:Asian	Urease Treatment:No treatment | Volume Urine (µL):50 | Gender:Female | Solution Added:N/A | Ethnicity:Asian	Urease Treatment:No treatment | Volume Urine (µL):50 | Gender:Female | Solution Added:N/A | Ethnicity:Asian	Urease Treatment:No treatment | Volume Urine (µL):50 | Gender:Female | Solution Added:N/A | Ethnicity:Asian	Urease Treatment:No treatment | Volume Urine (µL):50 | Gender:Female | Solution Added:N/A | Ethnicity:Black	Urease Treatment:No treatment | Volume Urine (µL):50 | Gender:Female | Solution Added:N/A | Ethnicity:Black	Urease Treatment:No treatment | Volume Urine (µL):50 | Gender:Female | Solution Added:N/A | Ethnicity:Black	Urease Treatment:No treatment | Volume Urine (µL):50 | Gender:Female | Solution Added:N/A | Ethnicity:Black	Urease Treatment:No treatment | Volume Urine (µL):50 | Gender:Female | Solution Added:N/A | Ethnicity:Caucasian	Urease Treatment:No treatment | Volume Urine (µL):50 | Gender:Female | Solution Added:N/A | Ethnicity:Caucasian	Urease Treatment:No treatment | Volume Urine (µL):50 | Gender:Female | Solution Added:N/A | Ethnicity:Caucasian	Urease Treatment:No treatment | Volume Urine (µL):50 | Gender:Female | Solution Added:N/A | Ethnicity:Caucasian	Urease Treatment:No treatment | Volume Urine (µL):50 | Gender:Female | Solution Added:N/A | Ethnicity:Caucasian	Urease Treatment:No treatment | Volume Urine (µL):50 | Gender:Female | Solution Added:N/A | Ethnicity:Caucasian	Urease Treatment:No treatment | Volume Urine (µL):50 | Gender:Female | Solution Added:N/A | Ethnicity:Caucasian	Urease Treatment:No treatment | Volume Urine (µL):50 | Gender:Female | Solution Added:N/A | Ethnicity:Caucasian	Urease Treatment:No treatment | Volume Urine (µL):50 | Gender:Female | Solution Added:N/A | Ethnicity:Caucasian	Urease Treatment:No treatment | Volume Urine (µL):50 | Gender:Female | Solution Added:N/A | Ethnicity:Caucasian	Urease Treatment:No treatment | Volume Urine (µL):50 | Gender:Female | Solution Added:N/A | Ethnicity:Caucasian	Urease Treatment:No treatment | Volume Urine (µL):50 | Gender:Female | Solution Added:N/A | Ethnicity:Caucasian	Urease Treatment:No treatment | Volume Urine (µL):50 | Gender:Female | Solution Added:N/A | Ethnicity:Caucasian	Urease Treatment:No treatment | Volume Urine (µL):50 | Gender:Female | Solution Added:N/A | Ethnicity:Caucasian	Urease Treatment:No treatment | Volume Urine (µL):50 | Gender:Female | Solution Added:N/A | Ethnicity:Caucasian	Urease Treatment:No treatment | Volume Urine (µL):50 | Gender:Female | Solution Added:N/A | Ethnicity:Caucasian	Urease Treatment:No treatment | Volume Urine (µL):50 | Gender:Female | Solution Added:N/A | Ethnicity:Caucasian	Urease Treatment:No treatment | Volume Urine (µL):50 | Gender:Female | Solution Added:N/A | Ethnicity:Caucasian	Urease Treatment:No treatment | Volume Urine (µL):50 | Gender:Female | Solution Added:N/A | Ethnicity:Caucasian	Urease Treatment:No treatment | Volume Urine (µL):50 | Gender:Female | Solution Added:N/A | Ethnicity:Caucasian	Urease Treatment:No treatment | Volume Urine (µL):50 | Gender:Female | Solution Added:N/A | Ethnicity:Caucasian	Urease Treatment:No treatment | Volume Urine (µL):50 | Gender:Female | Solution Added:N/A | Ethnicity:Caucasian	Urease Treatment:No treatment | Volume Urine (µL):50 | Gender:Female | Solution Added:N/A | Ethnicity:Caucasian	Urease Treatment:No treatment | Volume Urine (µL):50 | Gender:Female | Solution Added:N/A | Ethnicity:Caucasian	Urease Treatment:No treatment | Volume Urine (µL):50 | Gender:Female | Solution Added:N/A | Ethnicity:Hispanic	Urease Treatment:No treatment | Volume Urine (µL):50 | Gender:Female | Solution Added:N/A | Ethnicity:Hispanic	Urease Treatment:No treatment | Volume Urine (µL):50 | Gender:Female | Solution Added:N/A | Ethnicity:Hispanic	Urease Treatment:No treatment | Volume Urine (µL):50 | Gender:Female | Solution Added:N/A | Ethnicity:Hispanic	Urease Treatment:No treatment | Volume Urine (µL):50 | Gender:Female | Solution Added:N/A | Ethnicity:Hispanic	Urease Treatment:No treatment | Volume Urine (µL):50 | Gender:Female | Solution Added:N/A | Ethnicity:Hispanic	Urease Treatment:No treatment | Volume Urine (µL):50 | Gender:Female | Solution Added:N/A | Ethnicity:Hispanic	Urease Treatment:No treatment | Volume Urine (µL):50 | Gender:Female | Solution Added:N/A | Ethnicity:Hispanic	Urease Treatment:No treatment | Volume Urine (µL):50 | Gender:Male | Solution Added:N/A | Ethnicity:Caucasian	Urease Treatment:No treatment | Volume Urine (µL):50 | Gender:Male | Solution Added:N/A | Ethnicity:Caucasian	Urease Treatment:No treatment | Volume Urine (µL):50 | Gender:Male | Solution Added:N/A | Ethnicity:Caucasian	Urease Treatment:No treatment | Volume Urine (µL):50 | Gender:Male | Solution Added:N/A | Ethnicity:Caucasian	Urease Treatment:No treatment | Volume Urine (µL):50 | Gender:Male | Solution Added:N/A | Ethnicity:Caucasian	Urease Treatment:No treatment | Volume Urine (µL):50 | Gender:Male | Solution Added:N/A | Ethnicity:Caucasian	Urease Treatment:No treatment | Volume Urine (µL):50 | Gender:Male | Solution Added:N/A | Ethnicity:Caucasian	Urease Treatment:No treatment | Volume Urine (µL):50 | Gender:Male | Solution Added:N/A | Ethnicity:Caucasian	Urease Treatment:No treatment | Volume Urine (µL):50 | Gender:Male | Solution Added:N/A | Ethnicity:Caucasian	Urease Treatment:No treatment | Volume Urine (µL):50 | Gender:Male | Solution Added:N/A | Ethnicity:Caucasian	Urease Treatment:No treatment | Volume Urine (µL):50 | Gender:Male | Solution Added:N/A | Ethnicity:Caucasian	Urease Treatment:No treatment | Volume Urine (µL):50 | Gender:Male | Solution Added:N/A | Ethnicity:Caucasian	Urease Treatment:No treatment | Volume Urine (µL):50 | Gender:Male | Solution Added:N/A | Ethnicity:Caucasian	Urease Treatment:No treatment | Volume Urine (µL):50 | Gender:Male | Solution Added:N/A | Ethnicity:Caucasian	Urease Treatment:No treatment | Volume Urine (µL):50 | Gender:Male | Solution Added:N/A | Ethnicity:Caucasian	Urease Treatment:No treatment | Volume Urine (µL):50 | Gender:Male | Solution Added:N/A | Ethnicity:Caucasian	Urease Treatment:No treatment | Volume Urine (µL):50 | Gender:Male | Solution Added:N/A | Ethnicity:Caucasian	Urease Treatment:No treatment | Volume Urine (µL):50 | Gender:Male | Solution Added:N/A | Ethnicity:Caucasian	Urease Treatment:No treatment | Volume Urine (µL):50 | Gender:Male | Solution Added:N/A | Ethnicity:Caucasian	Urease Treatment:No treatment | Volume Urine (µL):50 | Gender:Male | Solution Added:N/A | Ethnicity:Caucasian	Urease Treatment:No treatment | Volume Urine (µL):50 | Gender:Male | Solution Added:N/A | Ethnicity:Caucasian	Urease Treatment:No treatment | Volume Urine (µL):50 | Gender:Male | Solution Added:N/A | Ethnicity:Caucasian	Urease Treatment:No treatment | Volume Urine (µL):50 | Gender:Male | Solution Added:N/A | Ethnicity:Hispanic	Urease Treatment:No treatment | Volume Urine (µL):50 | Gender:Male | Solution Added:N/A | Ethnicity:Hispanic	Urease Treatment:No treatment | Volume Urine (µL):50 | Gender:Male | Solution Added:N/A | Ethnicity:Hispanic	Urease Treatment:No treatment | Volume Urine (µL):50 | Gender:Male | Solution Added:N/A | Ethnicity:Hispanic	Urease Treatment:No treatment | Volume Urine (µL):50 | Gender:Male | Solution Added:N/A | Ethnicity:Hispanic	Urease Treatment:No treatment | Volume Urine (µL):50 | Gender:Male | Solution Added:N/A | Ethnicity:Hispanic	Urease Treatment:No treatment | Volume Urine (µL):50 | Gender:Male | Solution Added:N/A | Ethnicity:Hispanic	Urease Treatment:No treatment | Volume Urine (µL):50 | Gender:Male | Solution Added:N/A | Ethnicity:Hispanic	Urease Treatment:No treatment | Volume Urine (µL):50 | Gender:Male | Solution Added:N/A | Ethnicity:Hispanic	Urease Treatment:No treatment | Volume Urine (µL):50 | Gender:Male | Solution Added:N/A | Ethnicity:Hispanic	Urease Treatment:No treatment | Volume Urine (µL):50 | Gender:Male | Solution Added:N/A | Ethnicity:Hispanic	Urease Treatment:No treatment | Volume Urine (µL):50 | Gender:Male | Solution Added:N/A | Ethnicity:Hispanic	Urease Treatment:No treatment | Volume Urine (µL):50 | Gender:Male | Solution Added:N/A | Ethnicity:Hispanic	Urease Treatment:No treatment | Volume Urine (µL):50 | Gender:Male | Solution Added:N/A | Ethnicity:Hispanic	Urease Treatment:No treatment | Volume Urine (µL):50 | Gender:Male | Solution Added:N/A | Ethnicity:Hispanic	Urease Treatment:No treatment | Volume Urine (µL):50 | Gender:Male | Solution Added:N/A | Ethnicity:Hispanic	Urease Treatment:No treatment | Volume Urine (µL):50 | Gender:Male | Solution Added:N/A | Ethnicity:Hispanic	Urease Treatment:No treatment | Volume Urine (µL):50 | Gender:Male | Solution Added:N/A | Ethnicity:Hispanic	Urease Treatment:No treatment | Volume Urine (µL):50 | Gender:N/A | Solution Added:N/A | Ethnicity:N/A	Urease Treatment:No treatment | Volume Urine (µL):50 | Gender:N/A | Solution Added:N/A | Ethnicity:N/A	Urease Treatment:No treatment | Volume Urine (µL):50 | Gender:N/A | Solution Added:N/A | Ethnicity:N/A	Urease Treatment:No treatment | Volume Urine (µL):5 | Gender:N/A | Solution Added:N/A | Ethnicity:N/A	Urease Treatment:No treatment | Volume Urine (µL):5 | Gender:N/A | Solution Added:N/A | Ethnicity:N/A	Urease Treatment:No treatment | Volume Urine (µL):5 | Gender:N/A | Solution Added:N/A | Ethnicity:N/A	Urease Treatment:Urease pre-treatment | Volume Urine (µL):100 | Gender:N/A | Solution Added:N/A | Ethnicity:N/A	Urease Treatment:Urease pre-treatment | Volume Urine (µL):100 | Gender:N/A | Solution Added:N/A | Ethnicity:N/A	Urease Treatment:Urease pre-treatment | Volume Urine (µL):100 | Gender:N/A | Solution Added:N/A | Ethnicity:N/A	Urease Treatment:Urease pre-treatment | Volume Urine (µL):100 | Gender:N/A | Solution Added:Urease | Ethnicity:N/A	Urease Treatment:Urease pre-treatment | Volume Urine (µL):100 | Gender:N/A | Solution Added:Urease | Ethnicity:N/A	Urease Treatment:Urease pre-treatment | Volume Urine (µL):100 | Gender:N/A | Solution Added:Urease | Ethnicity:N/A	Urease Treatment:Urease pre-treatment | Volume Urine (µL):100 | Gender:N/A | Solution Added:Urease | Ethnicity:N/A	Urease Treatment:Urease pre-treatment | Volume Urine (µL):100 | Gender:N/A | Solution Added:Urease | Ethnicity:N/A	Urease Treatment:Urease pre-treatment | Volume Urine (µL):100 | Gender:N/A | Solution Added:Urease | Ethnicity:N/A	Urease Treatment:Urease pre-treatment | Volume Urine (µL):100 | Gender:N/A | Solution Added:Urease | Ethnicity:N/A	Urease Treatment:Urease pre-treatment | Volume Urine (µL):100 | Gender:N/A | Solution Added:Urease | Ethnicity:N/A	Urease Treatment:Urease pre-treatment | Volume Urine (µL):100 | Gender:N/A | Solution Added:Urease | Ethnicity:N/A	Urease Treatment:Urease pre-treatment | Volume Urine (µL):100 | Gender:N/A | Solution Added:Urease | Ethnicity:N/A	Urease Treatment:Urease pre-treatment | Volume Urine (µL):100 | Gender:N/A | Solution Added:Urease | Ethnicity:N/A	Urease Treatment:Urease pre-treatment | Volume Urine (µL):100 | Gender:N/A | Solution Added:Urease | Ethnicity:N/A	Urease Treatment:Urease pre-treatment | Volume Urine (µL):100 | Gender:N/A | Solution Added:Urease | Ethnicity:N/A	Urease Treatment:Urease pre-treatment | Volume Urine (µL):100 | Gender:N/A | Solution Added:Urease | Ethnicity:N/A	Urease Treatment:Urease pre-treatment | Volume Urine (µL):100 | Gender:N/A | Solution Added:Urease | Ethnicity:N/A	Urease Treatment:Urease pre-treatment | Volume Urine (µL):10 | Gender:N/A | Solution Added:N/A | Ethnicity:N/A	Urease Treatment:Urease pre-treatment | Volume Urine (µL):10 | Gender:N/A | Solution Added:N/A | Ethnicity:N/A	Urease Treatment:Urease pre-treatment | Volume Urine (µL):10 | Gender:N/A | Solution Added:N/A | Ethnicity:N/A	Urease Treatment:Urease pre-treatment | Volume Urine (µL):25 | Gender:N/A | Solution Added:N/A | Ethnicity:N/A	Urease Treatment:Urease pre-treatment | Volume Urine (µL):25 | Gender:N/A | Solution Added:N/A | Ethnicity:N/A	Urease Treatment:Urease pre-treatment | Volume Urine (µL):25 | Gender:N/A | Solution Added:N/A | Ethnicity:N/A	Urease Treatment:Urease pre-treatment | Volume Urine (µL):50 | Gender:Female | Solution Added:N/A | Ethnicity:Asian	Urease Treatment:Urease pre-treatment | Volume Urine (µL):50 | Gender:Female | Solution Added:N/A | Ethnicity:Asian	Urease Treatment:Urease pre-treatment | Volume Urine (µL):50 | Gender:Female | Solution Added:N/A | Ethnicity:Asian	Urease Treatment:Urease pre-treatment | Volume Urine (µL):50 | Gender:Female | Solution Added:N/A | Ethnicity:Asian	Urease Treatment:Urease pre-treatment | Volume Urine (µL):50 | Gender:Female | Solution Added:N/A | Ethnicity:Black	Urease Treatment:Urease pre-treatment | Volume Urine (µL):50 | Gender:Female | Solution Added:N/A | Ethnicity:Black	Urease Treatment:Urease pre-treatment | Volume Urine (µL):50 | Gender:Female | Solution Added:N/A | Ethnicity:Black	Urease Treatment:Urease pre-treatment | Volume Urine (µL):50 | Gender:Female | Solution Added:N/A | Ethnicity:Black	Urease Treatment:Urease pre-treatment | Volume Urine (µL):50 | Gender:Female | Solution Added:N/A | Ethnicity:Caucasian	Urease Treatment:Urease pre-treatment | Volume Urine (µL):50 | Gender:Female | Solution Added:N/A | Ethnicity:Caucasian	Urease Treatment:Urease pre-treatment | Volume Urine (µL):50 | Gender:Female | Solution Added:N/A | Ethnicity:Caucasian	Urease Treatment:Urease pre-treatment | Volume Urine (µL):50 | Gender:Female | Solution Added:N/A | Ethnicity:Caucasian	Urease Treatment:Urease pre-treatment | Volume Urine (µL):50 | Gender:Female | Solution Added:N/A | Ethnicity:Caucasian	Urease Treatment:Urease pre-treatment | Volume Urine (µL):50 | Gender:Female | Solution Added:N/A | Ethnicity:Caucasian	Urease Treatment:Urease pre-treatment | Volume Urine (µL):50 | Gender:Female | Solution Added:N/A | Ethnicity:Caucasian	Urease Treatment:Urease pre-treatment | Volume Urine (µL):50 | Gender:Female | Solution Added:N/A | Ethnicity:Caucasian	Urease Treatment:Urease pre-treatment | Volume Urine (µL):50 | Gender:Female | Solution Added:N/A | Ethnicity:Caucasian	Urease Treatment:Urease pre-treatment | Volume Urine (µL):50 | Gender:Female | Solution Added:N/A | Ethnicity:Caucasian	Urease Treatment:Urease pre-treatment | Volume Urine (µL):50 | Gender:Female | Solution Added:N/A | Ethnicity:Caucasian	Urease Treatment:Urease pre-treatment | Volume Urine (µL):50 | Gender:Female | Solution Added:N/A | Ethnicity:Caucasian	Urease Treatment:Urease pre-treatment | Volume Urine (µL):50 | Gender:Female | Solution Added:N/A | Ethnicity:Caucasian	Urease Treatment:Urease pre-treatment | Volume Urine (µL):50 | Gender:Female | Solution Added:N/A | Ethnicity:Caucasian	Urease Treatment:Urease pre-treatment | Volume Urine (µL):50 | Gender:Female | Solution Added:N/A | Ethnicity:Caucasian	Urease Treatment:Urease pre-treatment | Volume Urine (µL):50 | Gender:Female | Solution Added:N/A | Ethnicity:Caucasian	Urease Treatment:Urease pre-treatment | Volume Urine (µL):50 | Gender:Female | Solution Added:N/A | Ethnicity:Caucasian	Urease Treatment:Urease pre-treatment | Volume Urine (µL):50 | Gender:Female | Solution Added:N/A | Ethnicity:Caucasian	Urease Treatment:Urease pre-treatment | Volume Urine (µL):50 | Gender:Female | Solution Added:N/A | Ethnicity:Caucasian	Urease Treatment:Urease pre-treatment | Volume Urine (µL):50 | Gender:Female | Solution Added:N/A | Ethnicity:Caucasian	Urease Treatment:Urease pre-treatment | Volume Urine (µL):50 | Gender:Female | Solution Added:N/A | Ethnicity:Caucasian	Urease Treatment:Urease pre-treatment | Volume Urine (µL):50 | Gender:Female | Solution Added:N/A | Ethnicity:Caucasian	Urease Treatment:Urease pre-treatment | Volume Urine (µL):50 | Gender:Female | Solution Added:N/A | Ethnicity:Caucasian	Urease Treatment:Urease pre-treatment | Volume Urine (µL):50 | Gender:Female | Solution Added:N/A | Ethnicity:Caucasian	Urease Treatment:Urease pre-treatment | Volume Urine (µL):50 | Gender:Female | Solution Added:N/A | Ethnicity:Hispanic	Urease Treatment:Urease pre-treatment | Volume Urine (µL):50 | Gender:Female | Solution Added:N/A | Ethnicity:Hispanic	Urease Treatment:Urease pre-treatment | Volume Urine (µL):50 | Gender:Female | Solution Added:N/A | Ethnicity:Hispanic	Urease Treatment:Urease pre-treatment | Volume Urine (µL):50 | Gender:Female | Solution Added:N/A | Ethnicity:Hispanic	Urease Treatment:Urease pre-treatment | Volume Urine (µL):50 | Gender:Female | Solution Added:N/A | Ethnicity:Hispanic	Urease Treatment:Urease pre-treatment | Volume Urine (µL):50 | Gender:Female | Solution Added:N/A | Ethnicity:Hispanic	Urease Treatment:Urease pre-treatment | Volume Urine (µL):50 | Gender:Female | Solution Added:N/A | Ethnicity:Hispanic	Urease Treatment:Urease pre-treatment | Volume Urine (µL):50 | Gender:Female | Solution Added:N/A | Ethnicity:Hispanic	Urease Treatment:Urease pre-treatment | Volume Urine (µL):50 | Gender:Male | Solution Added:N/A | Ethnicity:Caucasian	Urease Treatment:Urease pre-treatment | Volume Urine (µL):50 | Gender:Male | Solution Added:N/A | Ethnicity:Caucasian	Urease Treatment:Urease pre-treatment | Volume Urine (µL):50 | Gender:Male | Solution Added:N/A | Ethnicity:Caucasian	Urease Treatment:Urease pre-treatment | Volume Urine (µL):50 | Gender:Male | Solution Added:N/A | Ethnicity:Caucasian	Urease Treatment:Urease pre-treatment | Volume Urine (µL):50 | Gender:Male | Solution Added:N/A | Ethnicity:Caucasian	Urease Treatment:Urease pre-treatment | Volume Urine (µL):50 | Gender:Male | Solution Added:N/A | Ethnicity:Caucasian	Urease Treatment:Urease pre-treatment | Volume Urine (µL):50 | Gender:Male | Solution Added:N/A | Ethnicity:Caucasian	Urease Treatment:Urease pre-treatment | Volume Urine (µL):50 | Gender:Male | Solution Added:N/A | Ethnicity:Caucasian	Urease Treatment:Urease pre-treatment | Volume Urine (µL):50 | Gender:Male | Solution Added:N/A | Ethnicity:Caucasian	Urease Treatment:Urease pre-treatment | Volume Urine (µL):50 | Gender:Male | Solution Added:N/A | Ethnicity:Caucasian	Urease Treatment:Urease pre-treatment | Volume Urine (µL):50 | Gender:Male | Solution Added:N/A | Ethnicity:Caucasian	Urease Treatment:Urease pre-treatment | Volume Urine (µL):50 | Gender:Male | Solution Added:N/A | Ethnicity:Caucasian	Urease Treatment:Urease pre-treatment | Volume Urine (µL):50 | Gender:Male | Solution Added:N/A | Ethnicity:Caucasian	Urease Treatment:Urease pre-treatment | Volume Urine (µL):50 | Gender:Male | Solution Added:N/A | Ethnicity:Caucasian	Urease Treatment:Urease pre-treatment | Volume Urine (µL):50 | Gender:Male | Solution Added:N/A | Ethnicity:Caucasian	Urease Treatment:Urease pre-treatment | Volume Urine (µL):50 | Gender:Male | Solution Added:N/A | Ethnicity:Caucasian	Urease Treatment:Urease pre-treatment | Volume Urine (µL):50 | Gender:Male | Solution Added:N/A | Ethnicity:Caucasian	Urease Treatment:Urease pre-treatment | Volume Urine (µL):50 | Gender:Male | Solution Added:N/A | Ethnicity:Caucasian	Urease Treatment:Urease pre-treatment | Volume Urine (µL):50 | Gender:Male | Solution Added:N/A | Ethnicity:Caucasian	Urease Treatment:Urease pre-treatment | Volume Urine (µL):50 | Gender:Male | Solution Added:N/A | Ethnicity:Caucasian	Urease Treatment:Urease pre-treatment | Volume Urine (µL):50 | Gender:Male | Solution Added:N/A | Ethnicity:Caucasian	Urease Treatment:Urease pre-treatment | Volume Urine (µL):50 | Gender:Male | Solution Added:N/A | Ethnicity:Caucasian	Urease Treatment:Urease pre-treatment | Volume Urine (µL):50 | Gender:Male | Solution Added:N/A | Ethnicity:Hispanic	Urease Treatment:Urease pre-treatment | Volume Urine (µL):50 | Gender:Male | Solution Added:N/A | Ethnicity:Hispanic	Urease Treatment:Urease pre-treatment | Volume Urine (µL):50 | Gender:Male | Solution Added:N/A | Ethnicity:Hispanic	Urease Treatment:Urease pre-treatment | Volume Urine (µL):50 | Gender:Male | Solution Added:N/A | Ethnicity:Hispanic	Urease Treatment:Urease pre-treatment | Volume Urine (µL):50 | Gender:Male | Solution Added:N/A | Ethnicity:Hispanic	Urease Treatment:Urease pre-treatment | Volume Urine (µL):50 | Gender:Male | Solution Added:N/A | Ethnicity:Hispanic	Urease Treatment:Urease pre-treatment | Volume Urine (µL):50 | Gender:Male | Solution Added:N/A | Ethnicity:Hispanic	Urease Treatment:Urease pre-treatment | Volume Urine (µL):50 | Gender:Male | Solution Added:N/A | Ethnicity:Hispanic	Urease Treatment:Urease pre-treatment | Volume Urine (µL):50 | Gender:Male | Solution Added:N/A | Ethnicity:Hispanic	Urease Treatment:Urease pre-treatment | Volume Urine (µL):50 | Gender:Male | Solution Added:N/A | Ethnicity:Hispanic	Urease Treatment:Urease pre-treatment | Volume Urine (µL):50 | Gender:Male | Solution Added:N/A | Ethnicity:Hispanic	Urease Treatment:Urease pre-treatment | Volume Urine (µL):50 | Gender:Male | Solution Added:N/A | Ethnicity:Hispanic	Urease Treatment:Urease pre-treatment | Volume Urine (µL):50 | Gender:Male | Solution Added:N/A | Ethnicity:Hispanic	Urease Treatment:Urease pre-treatment | Volume Urine (µL):50 | Gender:Male | Solution Added:N/A | Ethnicity:Hispanic	Urease Treatment:Urease pre-treatment | Volume Urine (µL):50 | Gender:Male | Solution Added:N/A | Ethnicity:Hispanic	Urease Treatment:Urease pre-treatment | Volume Urine (µL):50 | Gender:Male | Solution Added:N/A | Ethnicity:Hispanic	Urease Treatment:Urease pre-treatment | Volume Urine (µL):50 | Gender:Male | Solution Added:N/A | Ethnicity:Hispanic	Urease Treatment:Urease pre-treatment | Volume Urine (µL):50 | Gender:Male | Solution Added:N/A | Ethnicity:Hispanic	Urease Treatment:Urease pre-treatment | Volume Urine (µL):50 | Gender:N/A | Solution Added:N/A | Ethnicity:N/A	Urease Treatment:Urease pre-treatment | Volume Urine (µL):50 | Gender:N/A | Solution Added:N/A | Ethnicity:N/A	Urease Treatment:Urease pre-treatment | Volume Urine (µL):50 | Gender:N/A | Solution Added:N/A | Ethnicity:N/A	Urease Treatment:Urease pre-treatment | Volume Urine (µL):5 | Gender:N/A | Solution Added:N/A | Ethnicity:N/A	Urease Treatment:Urease pre-treatment | Volume Urine (µL):5 | Gender:N/A | Solution Added:N/A | Ethnicity:N/A	Urease Treatment:Urease pre-treatment | Volume Urine (µL):5 | Gender:N/A | Solution Added:N/A | Ethnicity:N/A	Urease Treatment:Water pre-treatment | Volume Urine (µL):100 | Gender:N/A | Solution Added:Water | Ethnicity:N/A	Urease Treatment:Water pre-treatment | Volume Urine (µL):100 | Gender:N/A | Solution Added:Water | Ethnicity:N/A	Urease Treatment:Water pre-treatment | Volume Urine (µL):100 | Gender:N/A | Solution Added:Water | Ethnicity:N/A	Urease Treatment:Water pre-treatment | Volume Urine (µL):100 | Gender:N/A | Solution Added:Water | Ethnicity:N/A	Urease Treatment:Water pre-treatment | Volume Urine (µL):100 | Gender:N/A | Solution Added:Water | Ethnicity:N/A	Urease Treatment:Water pre-treatment | Volume Urine (µL):100 | Gender:N/A | Solution Added:Water | Ethnicity:N/A	Urease Treatment:Water pre-treatment | Volume Urine (µL):100 | Gender:N/A | Solution Added:Water | Ethnicity:N/A	Urease Treatment:Water pre-treatment | Volume Urine (µL):100 | Gender:N/A | Solution Added:Water | Ethnicity:N/A	Urease Treatment:Water pre-treatment | Volume Urine (µL):100 | Gender:N/A | Solution Added:Water | Ethnicity:N/A	Urease Treatment:Water pre-treatment | Volume Urine (µL):100 | Gender:N/A | Solution Added:Water | Ethnicity:N/A	Urease Treatment:Water pre-treatment | Volume Urine (µL):100 | Gender:N/A | Solution Added:Water | Ethnicity:N/A	Urease Treatment:Water pre-treatment | Volume Urine (µL):100 | Gender:N/A | Solution Added:Water | Ethnicity:N/A	Urease Treatment:Water pre-treatment | Volume Urine (µL):100 | Gender:N/A | Solution Added:Water | Ethnicity:N/A	Urease Treatment:Water pre-treatment | Volume Urine (µL):100 | Gender:N/A | Solution Added:Water | Ethnicity:N/A	Urease Treatment:Water pre-treatment | Volume Urine (µL):100 | Gender:N/A | Solution Added:Water | Ethnicity:N/A
1_3-dihydroxyacetone	1987264.5780	1207499.4400	1651965.3070	1432440.6120	21623767.4700	1518984.4700	15630568.5200	1773131.8960	30867624.0000	11492611.1800	2323400.2290	1750079.3190	10163880.3600	1105170.9790	1094940.0550	1444471.7260	2120147.2660	1906874.5490	1124860.6260	1273134.3290	1131122.4820	899479.1557	1308391.7980	1486025.9800	1350854.9350	1636326.5340	1051732.3010	1008787.6410	1101923.1790	1057333.2680	615612.9204	1442756.1490	7150053.6430	71643713.6600	73899288.5400	73589580.2500	7915012.3510	615403.1698	27613623.9800	2689103.4580	20138590.6600	28681214.7800	1556422.2170	2037464.0000	1321008.1230
1-methyladenosine	8670994.7140	3064753.8570	3980544.1140	4280444.7430	5315684.0290	6074651.2290	3076427.6570	4544278.1140	7908488.8290	8545636.3430	8415355.2000	3069789.8860	4117279.0000	3927283.4860	4013169.6000	4491412.8860	4570479.6290	4404014.5430	7780384.8570	9212602.0000	4016172.4290	9940517.2570	9484014.3710	7392497.1710	13969958.3700	5473748.5430	6794749.9140	7600743.7710	1668375.0000	1813445.1710	4841895.2860	5391473.9140	1781196.0000	1977883.3140	449557.0000	973965.4571	6598470.4290	6336439.8570	2636246.3710	2414608.2570	4902475.1140	4776886.7430	3429326.0000	10650590.3400	2550725.3710	4146650.4000	1730638.8290	1845841.9430	3027847.3140	2941643.8860	3952843.9710	4867131.8860	4943724.3710	3991497.4290	12115093.0000	9015627.0000	2633563.0860	3744096.9140	1574278.9710	1676133.0860	812248.2857	3053431.3430	643343.4571	578417.4286	3361937.4860	2579364.1710	3858548.8290	4116017.8860	1858716.6290	2949343.4860	1894630.9430	3042556.3430	9457134.0860	9856868.2570	2940687.2860	2203200.9430	2057279.5710	2573081.6000	3597972.8290	4970933.9140	2573384.7140	8014159.9140	4780948.6290	5036479.0860	9864687.8000	10070764.7400	7024838.7140	6623263.4290	10323827.4300	10067349.5100	8025961.0290	9064390.4860	4453721.7710	5052542.9140	4660175.2570	5775113.9710	7226950.3140	6463128.8000	11234467.6600	11456845.0000	14143358.7400	15101648.3100	8810435.7140	9917518.4570	26350270.3100	25124350.0000	17490160.9400	17167243.2600	1918100.8290	4463049.6860	5861228.2860	8706332.0000	2498549.0000	2151620.0000	2884621.0000	2944529.0000	5270690.6570	6435243.6000	5128813.0000	3989220.0000	8969387.7140	9589828.3140	3066210.1430	4651763.4290	3090727.8860	4475220.9140	6568769.9710	7495018.5710	3689951.5140	3647398.2570	6341262.6290	6015610.6860	5866610.5710	5886343.4000	8283618.9430	8002257.0000	3650931.0290	3805414.0000	2401179.6860	1722181.5140	5718715.4860	5711368.7430	2686092.0000	2884143.0000	4636028.2860	4718985.9140	10208326.6300	12339266.5700	1886475.4570	5317161.6860	4898347.7430	4639677.1430	1822871.4290	4639496.9430	8403779.8860	7708197.4860	4810005.1710	5015463.9710	3448842.7140	5765846.2000
1-methyl-histidine	2763625.2740	2071250.0070	2676924.2660	223678.2858	279807.5171	239231.2261	827129.9001	807037.0201	799605.9910	13144980.5700	10923663.0600	13377272.1700	16266292.0900	19022433.3700	17710243.7700	17275446.8000	15428498.8600	9691373.3140	18490360.8300	21597598.7400	23829045.4300	15008221.8900	11115406.4000	15200202.0900	16106743.5100	9085487.5140	9936818.3430	7009708.0000	9554596.1140	19125595.6000	17826548.4300	20037563.4300	16707400.6900	24142878.9100	28517929.1100	21479012.6300	26420117.7400	12002698.0900	13747907.1700	19542572.0600	17009744.6000	3827822.4290	6061822.2570	768697.1143	1744403.6290	24529808.8900	24855428.2000	2555960.1710	3846611.9430	20817716.3400	20980752.6000	28149866.7700	30094236.4600	15323246.5700	20353103.2000	26048813.5400	15387465.2000	15404723.5400	15768137.3100	10305710.9700	12598271.4900	17256792.8900	12634336.0600	17439018.5700	14545085.6000	17643674.9700	16727255.3100	12043168.8300	14022487.3100	12604248.1100	12668361.2000	1173684.1710	1335854.8000	11025115.7100	9197072.9710	14125147.9400	16322107.5400	6212389.5430	8889305.5430	14752983.3700	14338445.0300	32630291.7100	31193451.2000	17091254.3700	17289283.3700	29319843.8300	28555150.3400	12839857.6000	13016970.1700	1531272.8660	1610785.2190	1659956.1340	118436.7867	127553.6229	111929.0251	3696304.8260	3919049.9620	4941308.4110	228269.1705	190060.8344	200788.6902	772956.9419	1296539.6040	645742.6533	13650699.5400	17014971.0000	20307998.1100	22178521.7400	36039088.6900	30686781.7100	20637704.4000	25276756.4900	27465451.6300	24702116.4900	39293578.6300	40159889.7100	14295125.6000	15804269.6000	16748601.7100	20185466.4600	15809051.8900	14214193.2900	11877452.7400	12452957.8900	21126543.3700	23770406.0000	19723433.4900	22761981.4300	54673498.2900	55072599.7700	41416894.1700	44345730.4000	14198676.3400	15872005.2600	23546784.9400	24997752.7400	6846325.9710	5652216.2290	2892527.1140	3500490.2860	19867491.8600	25658655.9100	3813808.8570	4253199.3140	44539748.2900	32114321.1400	43047277.0900	43224183.5400	22828815.4300	24649381.0900	32552461.4000	32928845.6900	30089058.4300	29984377.1400	24370197.7700	26023602.9100	21946618.3700	25533151.0300	34743976.7100	36101964.1700	22985810.3100	24551933.3100	20597571.1700	18887394.6000	34725718.3700	32370664.8000	1693899.7710	1941754.1430	14392492.9700	16499634.8900	21885046.0600	19154419.4300	29085792.2600	27796101.7400	22473899.4300	32721184.8600	57921855.6000	51881147.3700	41822112.4000	27474576.2300	37213179.1100	49468528.1100	6395162.5140	8766237.8290	2150400.5060	2043152.7150	2021753.7940	0.0000	0.0000	0.0000
2_3-dihydroxybutanoic acid	49217824.0500	44568364.0000	49640920.6000	2573326.4780	2777471.1660	2210143.3700	6366743.1610	5950179.1970	6676949.0260	28815656.4200	22733111.2100	28339219.4500	1197586.0790	1329497.7400	1233953.2130	23772439.4500	25627290.8600	27407823.9700	2499288.4390	2466769.5510	2351326.2470	5986487.7390	6460972.9750	6339674.5310	12371046.3200	12320128.0200	12410900.2400	1159327.5650	1328908.7540	1312014.9510
2_3-dihydroxybutyric acid 1	39744243.4300	42665053.7400	64204429.2400	69718007.1600	59168526.8900	68141971.2500	30529380.4700	62496661.5000	31130140.6400	45886439.8800	78783090.0800	56388250.3400	20863510.7200	38022714.2600	69063692.5700	27278687.4300	24041734.0000	29726575.4300	29855479.0900	34592597.6600	49414706.4000	30477576.7700	24902420.4300	29707029.3100	52292015.8300	65237559.4900	39617501.3700	28525727.5400	45257002.0000	44527119.7700	24238196.1100	16067364.8600	20767609.0000	22731088.4000	45307752.0900	28101708.0000	31422393.3700	42858510.7400	25663075.7700	64601310.0000	29529455.5400	72115668.5100	40417880.7400	19344072.9100	22556654.8600	30575823.8900	30460146.5700	3254132.7140	7649535.9140	2879460.7710	3247953.3140	27666001.0600	29261105.6300	3403005.2570	2234141.9430	46250795.5400	26225373.4600	46985035.0000	20593107.0000	20769354.5100	30287828.8900	28226685.8300	21477127.1700	24770624.8900	27290207.2000	46479532.0000	32942325.8300	20979735.4900	21754519.0000	30299517.6600	20313433.8300	20513053.8300	46798363.9100	10912185.5100	11962103.0000	86071855.3100	24960000.5400	1746823.6000	1733660.0290	26497771.8900	24828559.6000	66563618.2900	67886224.0000	6389610.2860	25435460.8000	27634024.1100	26938210.0300	35158997.0900	61152205.7400	67070745.1700	72484953.4900	27621260.9100	37738275.2000	47413989.5400	35076735.6600	41794062.6900	39758019.7900	38674457.8700	40246773.1300	39447737.4700	41597349.3600	38648889.2800	37948008.2600	36889577.2900	40054972.0800	41286412.1700	12523528.1600	39835161.0800	39266648.9200	37977664.9400	8024446.2860	9212724.1140	21085633.7100	22567056.0000	49184670.0600	50949468.8000	14238845.7100	13952157.2600	12526488.0000	11956847.0900	19732323.7700	23186375.3100	7477806.0570	8940972.4570	34115047.6600	43461367.0900	7895501.1430	7066407.6570	12047497.0300	13187993.9400	17531251.7700	15087754.1100	20091186.5100	23249702.5100	40337377.4000	33417118.8600	26633648.2300	24345530.5100	14559310.7400	15594070.2900	14166668.5700	11508899.3100	3237788.9140	2594667.4290	2847927.2570	3312328.6860	8288789.9430	11487199.4300	2091159.0290	2177398.0000	13586613.5400	12269293.2300	7112678.2290	7666510.7710	8556017.6000	11435860.3400	6382157.0000	7109668.9710	9323774.9710	9346914.7430	5778469.7140	5457376.0570	6468624.9140	6547640.2860	13609229.3700	13705176.6900	5328959.3140	5284368.1710	4473919.4860	3906721.2570	13809269.4900	13519555.0900	1768050.5710	2082247.3710	9310632.9140	10345156.6900	27290077.5400	27488100.1100	9193207.2860	8455684.2290	15350599.1100	15106355.0900	21238398.5100	21898678.1700	20628883.2000	18390964.8900	20800119.0900	24032529.4900	13254681.1400	17747939.2000	32480110.4100	66883637.3500	22268860.2600	33742406.9200	36221032.9900	44454367.2700	46160107.2600	33463998.5000	18866881.2300	16946924.7600	6823767.8590	9089875.0530	63181321.7400	46699879.1200	57645051.8000
2_3-dihydroxybutyric acid 2	20992047.1100	104717670.0000	104914606.1000	82334009.3400	41250141.6700	93131649.4000	37324716.5000	73292496.3500	37219693.2000	80490620.0800	114073065.6000	63539035.1100	30152653.9100	97218102.4600	93842388.4900	58043460.1500	55099695.7900	53231842.4100	57258428.7200	56268038.1900	58707006.8200	53838649.4800	53288106.6800	52653071.2000	55302919.9400	56476688.9400	28542100.1100	57010322.1500	56020398.1600	53642643.1700	45396595.4900	93237630.2600	47757975.2500	45760295.5800	35476635.7000	30217129.6800	56346931.2800	28231354.2400	50729636.9400	26022337.5600	51121198.9000	32353265.6600	98443370.9700	28543163.8800	84661605.5700
2_3-dihydroxybutyric acid  2	36112241.3700	33405909.4900	53207559.3100	62654400.4600	51638467.6600	44820894.1700	33341197.5700	36737936.5700	76743253.9400	89751361.8300	56278267.2000	52677104.5700	52103987.6600	56792605.3700	36228479.5400	51711212.8000	25608197.0900	31798359.3100	31645011.2000	37994027.6000	46602208.1100	13909293.1400	48272781.7100	46367053.7100	40334713.1400	73393666.5700	74631958.8600	101656802.1000	47001864.6900	46824574.1700	37717496.8000	50045175.3100	8049115.7140	7743536.9140	2672955.1430	3040550.9140	45313467.8900	46013304.2300	2261654.0000	3558203.3140	85608047.0900	48737361.3700	62992156.3400	66019968.9100	25450752.4600	41003635.2000	62389136.4600	52905831.0300	39646649.2600	46040582.8600	45204967.7700	79385543.6600	57160405.0300	41417270.8600	56192239.5400	17183589.1100	47010673.3700	74238241.0600	13635209.1400	14696205.7100	87756189.9400	50567969.3700	2776211.7140	2745801.1430	49329600.4600	60242342.4000	100885282.7000	86233621.9700	9331221.6000	42824743.3100	53085139.2000	51798970.8600	70768031.0900	96683196.1100	44420426.0600	100221250.9000	49322322.2900	44844163.6600	48056420.1100	51443908.6900	7550022.8570	8671801.3710	14189261.3100	15132773.0300	32659611.3100	32821469.2600	7472461.0290	7295578.0570	41107316.5700	39871622.9700	18318868.0000	21629100.3400	8316980.1140	9936377.1430	19027208.6900	24307559.7700	13728178.7400	12407162.0600	11328937.1400	12394374.4000	11770854.3700	18478513.8300	17389770.4000	20106176.8600	25307661.0300	22301564.6900	40558608.4600	36982928.4600	8740519.0860	9264395.2000	19442112.4600	15783844.8000	7305932.6860	5841718.0570	2632189.7140	3079453.6000	13381621.9400	18591986.7400	2968945.0860	3139442.3430	25021240.6900	22710179.6600	40002079.0900	42272064.4600	12393993.2600	16398318.2600	38192270.1700	42734919.7700	17922330.9700	17977856.5700	24470146.7400	23021518.1700	21237609.6000	21144784.4600	30279514.1700	30591670.8000	21441831.7700	21316669.7100	18806554.5100	16280838.4000	11637466.6600	11305630.4000	2821418.4000	3281953.1430	16434945.0600	18047742.1400	42973122.9700	43466920.2300	29337685.4900	26792774.4000	33723431.2000	32749827.5400	57496186.0600	59175390.6300	45703974.4000	41378295.3100	12914394.5100	14890508.3400	16422594.7400	22275295.5400
2_4-dihydroxybutyric acid	10770029.2600	8401054.2570	10481733.9700	13818438.7200	44682870.1900	53129835.8800	54689549.4500	21782148.5600	55695066.4100	19795597.2900	23222189.8300	13860862.8800	24803129.9500	50243706.3000	36604574.9200	21369883.4600	46272506.6500	61293623.5600	1349577.6010	1438918.3970	1153674.0340	3062153.0040	2909812.1600	3142247.3870	14944889.2000	13547743.7100	6353699.8570	6901328.7710	8421439.5140	8724490.7140	7319327.3140	6226365.1140	8127617.0570	8979507.2860	7532385.2290	8089083.4570	9012839.9140	7784126.7430	11158822.8600	9970762.8290	6371801.9430	6686665.0570	8273911.3140	9642054.2570	15609568.6000	11865012.7400	11159853.8900	8369922.9710	14628140.3400	16538423.8000	16543878.9400	16683381.0900	7190984.0000	7989221.0570	13028089.1400	14041664.5400	1927911.2570	2349127.1140	3624500.5710	4044952.1710	12410708.5100	12521023.3400	1900237.6860	1886346.6570	9264595.0290	8831254.9140	12574737.6300	13915952.9100	4166346.2000	5792358.7140	5966946.1430	5056692.6290	7256304.3430	7049820.0290	6240224.6290	6461782.6570	9203579.4000	7195139.2290	15954765.4300	10398948.9400	4079029.3710	4126418.2290	3555545.1430	3879103.4000	8924474.4860	6977201.3430	826000.2857	819745.1143	5147156.6570	5366117.3140	8183203.2000	8396423.3140	3176982.4860	5238177.9710	6454920.5140	6657385.2290	9250242.2290	9748587.3710	5713143.2570	6647036.9430	5660284.4860	5060861.5430	8038415.3430	10720828.0900	5548468.8220	5407267.6340	6042498.5050	648082.9559	697254.1423	646599.5092	11357552.5800	12378288.8700	13291169.6800	30130513.4500	31070015.5400	27558611.1300	29084977.9100	29073656.0100	30080706.8700	27701568.4700	27764727.5000	26920329.7500	31892550.0200	32587742.4300	3912478.0650	28604520.4300	29501652.5500	28032758.0300	1269994.8290	1232021.5270	1202485.8840	2956721.7300	3196367.8730	3148737.0300	12096762.7100	13917351.9700	7105873.2860	7624175.6860	11094821.3700	11364619.7400	8523658.4000	8347454.7710	9781334.3710	9410240.5140	7116397.0290	8324255.0000	6688884.9430	7967415.0570	12178495.6600	15340589.2300	9366810.9140	8523331.0290	11059934.9700	11928388.2600	15583529.3100	10030281.8900	8946056.1430	10244299.8000	28438520.1400	24774488.5700	21015812.6600	19388333.4600	7436696.4570	7867844.6290	17265038.6900	14220361.8000	1756233.9140	1387885.6290	3188250.2570	3661969.8570	9368654.5710	12860663.6900	1653489.8570	1687665.9430	12209971.6000	11164138.5100	11904902.5100	12758180.1400	4279774.2570	5664768.4290	7197179.4570	7975304.2290	8525550.6290	8567306.5140	9210822.2290	8737734.8000	10177480.0600	10274703.6300	17066889.6600	17127853.2000	4534671.1140	4476959.3430	4727715.6570	4149044.4290	6421582.0570	6212721.6860	819890.0286	964954.3714	4883335.2290	5339479.4290	11136132.0900	11242249.2300	9380020.4290	8517205.4290	8967965.5710	8865958.3710	13474986.5700	13835687.2600	10441715.5400	9474881.9140	5011996.0570	5763842.3710	6921856.4000	9565084.6570	6008514.9440	5987801.7210	6064259.0140	556104.7561	642636.8969	639905.9506	17339575.3100	77684114.5000	12156238.0700	17521077.5600	18289941.0200	11224126.3600	27317106.6800	11617017.9800	11468817.8100	12487050.5900	16796991.1800	14797346.8000	31074742.6400	11187771.4900	92175668.6600
2-butyne-1_4-diol	5429236.0960	7413571.9600	4613572.2920	3645229.6320	33730176.0000	7451767.7100	4323380.0030	7961299.8300	16797632.0000	23912419.7400	3878669.4670	5537043.6670	10855981.0500	7660435.6390	8435005.4840	9305747.5760	9330290.5590	9119601.7360	10345416.0300	2658845.9630	4575969.6670	8339904.7040	11388268.2600	1124087.9980	9682712.6090	11391665.3200	13140182.1700	10732925.7800	11181031.3600	11186267.3500	28472992.0000	1744406.4650	32057560.0000	35230702.0800	55858304.0000	267437184.0000	55783936.0000	24761496.0000	2865169.7530	8116064.0000	26565440.0000	26507688.0000	7286181.1420	20679672.0000	6987503.4220
2-deoxyribonic acid	13394129.0700	9180685.9610	13355137.1200	25039277.3600	27467298.8100	27757432.7000	32107852.6500	27655799.9000	30746566.0600	25776721.7600	26817263.5300	26270163.1800	25340831.0300	27833032.0100	27547552.4400	25189335.4900	25722307.1600	24788497.4900	1877716.9270	2007223.1900	1675523.6910	3873022.4230	3694055.3190	4172500.2060	23454849.8300	20825141.9400	5777269.7710	6299302.3430	9944125.7140	8708786.1710	14147855.0900	12081240.0000	14931133.2600	16505856.9100	14024254.6300	14615758.1700	11177440.6300	9848861.0860	11410228.8000	10331245.7100	8570329.6000	9062302.1710	7089659.4290	8281416.0000	23778741.4900	21794013.2600	15680817.6000	11705745.1400	18586869.9400	23791141.0300	20596495.5400	21525307.4300	6573354.2860	7270552.2290	16409569.3700	17764977.8300	2693871.0860	3172199.7710	1584082.7710	1761736.3710	10552734.8600	10704478.4000	2078599.0000	1976304.4570	20818443.2000	19593205.0300	40470452.5700	44504126.4000	6465302.8570	8959388.5710	7678235.4290	6679597.6000	12891888.2300	12371419.6600	9964136.6860	11399117.3700	13072021.9400	10610998.6300	31903252.1100	20670993.2000	14121734.8600	14322285.0300	5961817.1430	6650338.7430	11541420.1100	11400280.8300	1722398.7710	1672096.1430	20221503.0900	21093744.9100	16082331.8900	17636913.8300	5045233.6000	8109402.9710	10532515.1100	10958483.4600	11908399.0900	12384480.4600	13218216.9100	13693726.8600	10345513.7100	9255061.2000	13412343.4300	16909469.4900	6609334.9170	6830448.1040	7299462.6230	1072038.5990	1163737.9130	1055843.2510	20303708.2300	21484512.9400	22501360.0000	45306512.7400	44358318.3700	41109440.8500	43746998.0000	42789407.2800	45184712.0400	41031087.3800	42675274.6700	41832306.8200	44758491.2900	45024164.6700	39203432.5700	43085835.0500	44070393.1600	41506883.5600	2372188.0570	2329893.1050	2206192.2380	5228987.8960	5763829.1330	5681829.6080	20428013.9400	23703653.7100	7292846.9710	7771800.6570	21324424.4600	14104442.9700	17662114.1700	17564384.8600	19013354.5100	18477468.8000	14418082.2900	16657290.5100	8778502.6000	10323564.3100	13416401.1400	16543826.9700	13120794.4600	12186141.4300	10392163.7700	11158261.7100	31405842.2900	32029541.4900	13832851.8900	15385808.0000	53144299.2000	40629600.4600	30717401.1400	29336890.5100	7573169.3140	8027729.0860	22847768.9100	19141573.4900	2586375.9430	2108768.0290	1684385.6860	1830231.1140	8412475.3140	11396302.2900	1968126.6290	2083850.6290	29089092.1100	27122855.3100	40674182.1700	44160018.9700	7015390.8290	9146814.1140	10098651.6600	10999297.9400	16192945.8300	15956889.4900	15470878.6300	14793910.6300	15113724.5700	15256771.8900	36154070.8600	36072589.9400	16557400.8600	16635239.4300	8431177.8860	7501155.1710	12169504.4600	11580818.3400	1804509.5140	2095840.3710	21553860.3700	23356989.9700	23350715.5400	23434926.4000	14817727.3100	13419578.7400	15593303.6000	15197742.2900	19344298.9700	19278565.0300	19126025.3700	17567506.0600	9737889.2000	11203429.0300	11335338.9700	15432868.1100	10894405.3900	10243875.5200	10849904.4100	1146892.3450	1329720.2040	1262956.2290	26496852.1400	25114753.6100	24058779.8000	22032943.4700	23265443.9300	23026383.3800	25410488.8600	22449334.5600	23632658.8900	25166126.5900	23153907.3800	23601719.3000	28314927.6900	23339430.5000	27688791.0600
2-hydroxyacrylic acid	3120928.5140	29215530.7400	1783617.8570	2278579.0570	2662703.8290	2388275.2000	2046065.1430	2279156.3430	3165183.8000	3423977.3710	2694557.0290	5444136.4290	1979380.2570	994042.6857	2810903.2290	4299232.0000	1462972.0000	2066197.5710	1649306.0000	10393922.5100	3900252.5710	4817162.7140	4940533.3710	3379778.6570	2537856.0000	2194144.0000	3445963.2000	4743812.5710	2237640.4570	3362762.6290	3900461.4290	3798832.0860	897301.4857	1281383.9710	1683605.9140	1126095.2860	2679053.3710	7418821.2570	1000050.7140	1156695.0570	12143186.2900	2630730.0290	3409107.0570	4112626.1140	2102121.4000	2118044.7430	3198321.2000	2280926.4000	2905172.8000	2889606.1140	2286191.7710	1809760.0000	3069138.0570	3144559.3140	3455934.5710	7615466.9140	1906781.3430	1991003.8860	1499039.0000	1575105.0000	2806072.1430	2886008.9710	876700.4571	1448297.7140	1723990.6290	1774782.9140	2722898.7140	2341530.7430	1251248.3430	1671920.1140	2282984.5430	2064876.5430	3914700.5430	2757441.0000	1862885.8000	1998157.7430	2494820.7710	2037948.5710	4859216.0000	2165811.4290	2378871.0000	3318396.0000	2050368.0000	2751447.9710	4437637.2000	2595472.0000	1867480.0000	2694539.7430	4954088.4570	3045040.0000	3030928.0000	3432330.8570	1123004.0000	1157771.0000	3216880.0000	4099617.4570	1840056.0000	1699766.6000	1797160.0000	1972022.7710	2325313.3710	2732369.8860	9156108.6290	9300284.5710	6335144.0000	6440504.0000	5378488.8000	4726320.8570	2276689.0000	2572739.0000	4750033.6860	3661594.3140	701500.6571	536946.0000	780493.0000	1016291.4000	1642323.0000	2539659.4000	797082.4286	796096.2571	3385184.0000	2322916.8000	4684527.7140	2705608.0000	1791524.0000	1363536.0000	2572104.6290	2394282.7430	3557999.3430	4201713.8860	2293873.3430	2124944.0000	2112555.2000	3182097.2860	33122501.6600	2794208.4570	1720527.0860	2147963.6290	1363827.3710	1300821.0000	2357917.2290	2005351.7710	517724.0857	750530.1714	1204457.0000	1920738.1710	2172112.0000	2191376.0000	2596988.2570	2005232.0000	1748752.0000	3363728.0000	4900176.4000	4369035.8860	3710000.6290	1879288.0000	1252670.7430	1938550.4290	1764412.2860	1985772.8000
2-hydroxypyridine	8984527.4190	9388380.1070	12179780.9000	8795341.1840	42156382.5300	9367878.6320	9735018.2050	11506420.0500	5991593.0180	5015883.0890	12444782.1500	12308916.3800	5495310.9790	8997450.6040	9149953.2830	11360745.8500	7935805.4940	10356071.2800	17881746.1800	8322969.7850	15254955.7500	14146555.6800	13404074.5600	15226252.1300	8403350.2270	11578079.7100	14330596.4700	16527509.6000	8321300.4350	9453600.1100	12468626.3500	9424621.1580	21954691.6100	43241309.1900	18365235.3900	17686171.0800	33777528.1500	35421839.9100	7213380.5350	26665091.9100	6415894.0370	18398694.1700	8783827.4160	5815131.9540	7872189.2120
2-keto-l-gluconic acid	12533161.8200	8584640.3570	12391037.9100	31978876.3133	32482662.2100	32009711.9767	39305249.3133	34282924.5667	36258607.6367	33190313.9833	34497931.4900	34677476.9000	29765829.3400	33520655.6400	32666891.7500	32534255.5267	30841744.6700	30765298.3867	1315355.4550	1393494.1210	1193731.1470	3003275.2160	2882828.1830	3036100.8060	9915348.2860	8887403.2000	5517952.5710	5960380.3430	11807235.0000	12301125.2600	6821418.4000	6006023.8860	11473786.9700	12311555.4600	12672851.9100	12789643.6000	6856360.8570	6005408.1140	9071771.4860	8191385.4290	4794567.7710	5056939.0860	5207653.2570	6253847.0000	18382838.4000	16772249.3700	11311245.4300	8590397.2290	16216338.9700	17506329.0900	27419008.9100	27611162.5100	6336596.2290	7112397.0570	10924267.4600	11849058.3400	1921796.7430	2293787.3710	1471940.9710	1708837.7140	9964074.8000	10147468.3100	1657634.1710	1653839.0860	10591851.9400	9997719.8860	19951645.8900	22005051.8300	3650677.0000	5078605.2570	8646297.7140	7760823.6000	7764324.9140	7521165.0570	6533731.2860	7046261.1430	11160559.2000	9169446.1140	10529774.9700	7041762.1140	4124393.7710	4265526.8570	4347788.7140	4984724.9430	6864391.1710	6708508.2860	680656.2857	702161.0571	4503827.2000	4642834.7140	7010731.7430	7699829.2570	3021517.4860	4944807.5430	5646840.2290	5799347.4860	9562045.3710	9982652.8000	9294151.8860	9497680.4570	5270195.6860	4655191.6290	7309044.6290	9321797.7710	5919439.3350	6084413.0780	6521990.3390	659098.9166	777428.4390	656612.2036	15438865.4800	15348918.6900	16734874.6600	49810887.6700	46736958.0867	47201825.0933	51043722.5167	48669112.6967	48573011.3400	46998407.0667	45418437.1433	45598842.1900	49083503.0967	50394922.1633	47287909.6967	48723244.2333	45469047.1533	46568645.7167	1410905.3480	1353595.3530	1345929.3330	3257343.1590	3556590.8410	3672195.2220	8333417.7710	9352724.2860	6586114.5140	6867792.3430	18443796.4600	19382166.1700	8625992.6860	8325288.5710	14477568.3400	14171473.2000	11800971.5400	13641532.0000	5305755.8290	6137540.4570	10918850.2900	13560154.8600	7637183.3140	7007886.0570	7456860.2290	8026101.4860	22396744.6900	22164024.6900	10459721.2300	11622634.8000	35629770.9700	31557597.7100	38632522.9700	35673276.3400	7326249.0290	7769941.4860	16862581.8300	14332476.3400	1866304.0570	1461269.2570	1577833.4860	1736115.7710	8457860.8000	11191035.6300	1500037.5430	1558214.3430	14621094.9700	13596138.5100	20691522.0600	22715850.2300	3964565.2290	5296623.9710	12195162.2300	13221616.9100	10202831.2000	10245218.0000	9877515.2860	9374235.6290	13783474.6300	13794662.0600	13978725.8300	13766942.5100	4796335.5430	4919270.4000	5954159.2000	5328246.7430	6671271.1430	6474178.7430	739029.5429	867272.0857	4849414.9710	5144487.4860	10891556.0000	11007881.4900	9587709.4860	8412719.3140	8567055.4290	8378343.4290	14492210.2900	14888073.8300	19353489.0300	17874837.8300	5034337.6570	5794570.5710	7263055.6000	9875976.0000	7077381.5000	6960624.5560	7310438.8120	677025.1472	781491.6959	761483.4901	33898766.3200	30541604.0200	31327969.6167	28435745.8233	32230565.8267	31535038.5633	30605656.5733	31765846.2167	31096762.0567	33825361.0400	31986767.6467	32907217.4700	34928119.4167	30924267.6667	34862065.3500
2-methyl-3-hydroxybutyric acid	10170399.5100	7888113.1660	10172327.6000	506136.9128	518867.6476	821457.2570	5076948.8140	5162124.8410	5588723.7140	4864627.9150	5345871.4070	5169951.0690	841036.5561	451295.8080	270006.4909	2504493.9560	2655331.3050	2400044.8290	243833.5330	242874.4316	233254.8714	589640.2307	618245.7584	597940.3984	1149065.5500	1154421.0710	1125256.5180	134957.3613	127381.4567	126184.9346
2-methyl-3-hydroxypropanoic acid	7278694.4790	4651179.8630	6829619.0960	807192.6924	947605.3008	729774.5378	1417907.6150	1715123.6960	1393168.2230	3122937.0780	2838956.0000	3256681.1080	294497.5316	413469.3339	352620.6413	9674610.2650	10693846.1800	11321374.8100	1072134.9820	1105602.9920	1059687.0990	2590315.1420	2827858.2410	2672163.7890	5418523.0520	5368094.5340	5304748.8790	525580.5607	551341.6719	579555.5692
2-methyl-3-hydroxypropanoic acid_1	3098832.4000	2812346.0000	4117090.6290	4563131.4570	3904408.9430	3889741.9710	1829189.2000	1544390.1710	3087701.0570	3226873.2290	6334121.3710	7232594.4570	3062993.0000	2665316.0860	2673497.8290	2280776.9140	1639843.3430	1678693.9430	2309721.5430	2891448.2860	2549220.3430	2602495.6860	18665416.4600	13712729.8900	2753958.8290	3270564.3140	2745386.5710	5403627.5430	1605823.0860	1595908.2000	2879286.5430	3469204.7140	1011511.4570	1201721.8000	416000.5143	512674.0000	3869832.7430	4162880.7430	681340.5429	664025.7714	3420433.6000	3377854.7430	4587827.0860	5137283.7430	2143365.4290	2998820.9710	2219174.5710	2006829.3430	1937483.6000	1936027.2000	2293544.1710	1813478.0570	2270284.7140	1799838.0570	3057969.0290	2182454.0570	5084422.0570	5541185.0860	2858320.4570	2988279.9430	2088454.5140	3001633.9430	583874.9714	526911.8286	1799356.4000	1948197.0290	1843760.0290	2635185.4000	2233519.9140	3331665.0570	2719319.7710	2888919.5710	7489065.7430	7034843.5430	1529636.1140	1948308.0290	4946049.0290	4481700.4000	3793506.3430	5177349.6570	2354072.9140	2690071.7430	4332774.4570	4611018.2290	4928497.0000	5082062.0570	2047656.1710	1980676.8000	3297542.4000	3150482.2290	6285031.7430	7550876.4290	2220984.6570	2635879.2290	2519461.0290	3219090.2570	2368374.1710	2143091.2290	3450628.8000	3741324.6290	3263036.2860	5092249.8570	15219344.7700	17773860.3400	3036647.0000	4793372.2000	7086061.7710	6140435.4860	1571444.6570	1681631.7430	3744855.3710	3025995.2290	961756.1714	747403.3714	477199.7429	570683.5429	2995583.5140	4016598.7430	637386.7429	682618.7143	4553771.4000	4085580.5430	4331200.8000	4682932.6570	2326441.6570	3033541.0290	2761290.4570	3045223.7430	2198902.4000	2227726.0000	3518028.3430	3323030.6860	2355113.0570	2374665.0860	3215252.5710	3186114.0000	5735764.1140	5359631.0860	3904504.8570	3357896.4570	2458250.3710	2365958.4570	571490.8286	652308.4571	1757372.5430	1930976.0570	4851708.0570	4901199.0290	5907350.2290	5371819.0860	3443519.0860	3416116.0000	10811831.1400	11140680.5100	3750599.3140	3392266.1140	4521288.2860	4688540.2860	3022747.2000	4470557.6860
3-(3-hydroxyphenyl)-3-hydroxypropionic acid	19474625.1800	14848806.5500	18958754.2900	13330160.0000	12402162.0000	14034280.0000	16867997.0000	13767628.0000	14959139.0000	12523085.0000	12260721.0000	13041307.0000	12055143.0000	14535234.0000	14120514.0000	14417833.0000	12951685.0000	11893452.0000	1881984.4510	2107896.8180	1720683.1080	4893108.7490	4925518.6200	5129169.3070	7156100.9140	6363825.7710	14656647.1100	16031854.3400	1973337.0860	2019860.8860	17481611.1100	14776000.6900	42189970.7700	45765112.2300	24272875.6000	25024723.4300	4130193.2290	3690776.6000	28587063.3100	25888231.7100	3143300.3430	3326176.5140	963565.3714	1125860.6000	14650755.9100	13561210.2900	29025681.3700	20454384.7700	15031368.2000	16081977.6900	23681714.1700	24426998.2900	11016156.1100	12241870.8600	1937996.6860	2123610.8860	3529477.3140	4247558.4000	5292750.0860	5999061.6000	65530528.9100	66514578.2900	2234557.7430	2222199.4290	1983998.9710	1873066.8290	26225482.5700	28784149.0300	6597765.5430	9321664.0000	21640923.8300	18748730.3100	12255293.9400	11783528.2300	6108068.0570	6596464.8860	17546945.0600	14126041.8900	17815637.5400	11743478.1700	2709903.7140	2737844.4000	441229.9714	496123.3714	6492671.4000	6509160.2860	1073225.5710	1070471.8290	7454576.0860	7768977.8290	9874261.6290	10740913.3700	730352.2286	1195609.2860	500698.7714	513857.4000	1813357.0290	1896152.3710	2563833.7140	2565591.8000	1527355.8570	1343166.1710	1676690.4290	2135964.9140	9863880.7980	9382844.7670	10320447.3200	896134.8826	1033913.4870	890158.0459	18429306.1500	18849081.7500	20149438.7200	18064840.0000	17782865.0000	16460115.0000	17040516.0000	15842653.0000	17953595.0000	15724478.0000	14824491.0000	15671072.0000	17717302.0000	18083677.0000	17337929.0000	16278015.0000	15505138.0000	14811153.0000	1804930.8650	1713020.0290	1634535.7970	4694737.4280	4513684.6750	4730710.3390	5730064.6860	6493737.6570	15803927.8900	16639385.8000	2520067.9430	2662702.1140	19962637.2600	19337203.9400	48898395.6600	47684551.4000	22850795.6300	26410421.2600	3086758.5430	3625314.1140	31316660.4600	39008305.4900	4452217.5430	4074012.9140	1253627.7140	1350890.8000	17703780.3700	17836185.6600	23453377.7700	26291996.8900	26031162.5700	25046291.3100	31637992.9100	29341206.6300	11147445.9100	11847991.3700	2583351.3140	2180873.8860	3119010.5710	2450663.7430	5229173.5430	5849444.9710	50097814.5100	67378361.1400	1866165.4290	1981341.1430	2502788.0000	2347292.9710	24953821.9400	27343725.7100	6860136.6290	9174049.3430	25151896.8000	27634760.8600	13848010.8900	13785095.2000	8512763.6860	8063115.6860	18819406.4900	18990407.3100	19028825.7700	18863118.0000	2888465.8290	2987809.3430	561005.2286	514238.1714	6002126.7430	5885993.0290	1041969.8290	1219299.1430	7245671.2570	7744422.3430	13463804.0000	13519969.4900	2044686.8290	1810714.8000	648645.9429	659585.0286	6776418.8570	6998292.1430	3651650.1430	3371846.7430	1337544.9140	1534426.7430	1373061.8290	1896099.6570	9523284.8550	8928383.0420	9362965.8460	816444.6007	872282.0997	869827.4202	14363570.0000	12774446.0000	13657691.0000	11612224.0000	12707184.0000	12471013.0000	13296602.0000	12231337.0000	13133234.0000	14327112.0000	11711772.0000	12050810.0000	13922019.0000	12639938.0000	14292076.0000
3_4-dihydroxybutanoic acid	9369916.5690	7504244.6280	9173177.8040	1111843.7500	1185160.5310	955219.4063	2724118.7050	2508396.8230	2835906.6650	4797360.5060	4892933.3870	5305223.4560	561358.2225	600117.8442	551641.6529	9595453.8520	10346361.5900	10969501.4000	1054917.4690	1017313.6590	992010.9150	2410343.9290	2607067.5390	2591983.6530	5010783.8520	4941069.5750	5030504.4520	465900.1882	545904.3283	546031.4138
3_4-dihydroxybutyric acid	8400760.2290	7433349.4860	4991141.0290	5478103.7710	9467424.4860	9526844.1710	5784176.8860	4739474.9140	9099289.2570	10315966.5100	6583336.2860	7182483.2000	6358839.5140	5570617.2000	9732389.7140	8562083.7710	6482243.4290	6657901.7140	17571492.5700	20876169.2000	10952655.6600	11787424.0300	10003116.3400	7231581.6000	11133708.8000	13126097.3700	16130302.3100	17000933.8300	5828735.7710	6506966.9710	9540753.4860	10406380.8000	1778164.1430	2233171.4290	1882352.8570	2110437.1140	5912169.0290	6003365.3710	1958896.4000	1258564.7140	8315953.8860	7891812.3430	9893233.3710	11019360.0000	3223597.1430	4529808.8000	5345682.4000	4558368.9430	5844725.2570	5659677.8290	3529200.3140	3697820.6290	7738326.1140	6200971.5140	9330865.8290	6223067.4290	5728670.3140	5857304.8860	3723614.4290	4134718.0290	4763299.8570	5442378.0000	1084076.3140	1078733.8570	5123251.9430	5213821.6000	9239572.1140	10329905.7100	2697295.6860	4529502.9710	4048494.9140	4156693.7140	9940997.9430	10963838.2300	4714276.6570	4712862.5140	7315238.4570	6505666.2860	8251219.8570	10829557.0900	6600208.3430	7532112.2290	5203065.2290	5529541.4860	11314219.2600	11831888.7400	6445445.2860	6229940.6000	10708080.9400	10492356.1700	6248982.7140	7374443.8860	4512012.2860	5296794.7430	10283137.8900	12984688.2300	9081598.1140	8210558.3140	23068180.1100	24847696.2000	15572131.6000	12904842.5700	7827545.2570	8947280.0000	17316057.1100	19520248.1700	20578920.7400	18914037.1700	5821766.0290	6132494.3140	12385351.8300	10133419.1400	1660133.0860	1318273.2000	1772852.7430	2048021.1710	4803105.7710	6606811.8570	1049593.8570	1111088.0000	10473477.2600	9409696.7430	9147791.8290	9813599.3140	3140710.2000	4374868.4570	6114582.2290	6938065.2570	6399176.1430	6523857.4570	4971315.7140	4704145.0570	8310256.2860	8166104.7710	9863069.1430	9997460.9710	6099964.4000	6057866.0860	4886810.2860	4280137.7430	4775005.8000	4612398.6290	1594872.4290	1021683.0570	4960402.3710	5400078.5710	12585568.6900	12690881.6900	7695099.2860	6908573.0860	5325480.2290	5199266.0290	14125082.3700	14695575.7400	7371302.5140	6750724.2570	6339843.5430	7317600.7710	6539303.7710	9070616.2570
3_4-dihydroxybutyric acid_1	25425304.0000	21529827.0000	21417129.0000	24998854.0000	26675516.0000	23470847.0000	25833853.0000	21398626.0000	24784157.0000	19752050.0000	22400754.0000	21473718.0000	24999929.0000	20873452.0000	19426027.0000	35472618.0000	35095282.0000	32510447.0000	34013894.0000	32853763.0000	35277141.0000	31909644.0000	31254486.0000	31293335.0000	35342580.0000	36220928.0000	36974359.0000	33352986.0000	32357021.0000	30962022.0000	25172124.0000	20529003.0000	19458818.0000	20487184.0000	15850780.0000	17890420.0000	22834147.0000	22207557.0000	20727125.0000	18625616.0000	24307200.0000	24638327.0000	21458506.0000	22724450.0000	20712871.0000
3-hydroxy-3-methylglutaric acid	2447898.6540	1727133.3840	1952892.4590	4541293.9690	5272197.2310	4221801.0450	5989098.0520	5366421.1400	5299737.9160	5120786.3740	3977409.5120	4945223.1690	4479731.4660	4331490.5260	4832472.6520	4608054.2330	4543610.4000	4608682.7850	499476.5026	393853.1382	328033.7897	761209.8586	708525.3037	804852.8457	3903472.8570	3551720.5140	1941076.7710	2518917.0000	2637790.3140	2289964.7710	2080576.2290	2066091.2570	3201000.8570	3883275.5710	2472574.0290	0.0000	2124437.1710	1599628.3140	3892465.8000	3536783.5140	2510558.2570	2856387.6290	2080968.0290	3324272.7710	2380954.7140	2278318.5140	4942661.9430	3716709.3430	3358066.2570	3981425.0000	4834941.0000	4782492.2290	3148619.4570	3744305.8570	2777576.7430	3164050.5140	0.0000	1781149.5430	0.0000	216060.1714	0.0000	0.0000	0.0000	0.0000	3609944.6860	3216614.6860	0.0000	0.0000	1253193.4000	2145669.0000	2781445.2000	1916788.2860	3553060.0000	3462743.7430	1964481.5430	2326145.4860	3229219.2860	1836569.1710	3566471.1140	1960792.4000	2360022.7430	1881624.0290	0.0000	2014190.2860	1960687.4290	0.0000	0.0000	0.0000	2326120.4000	0.0000	1982621.3140	2109421.8570	748701.9143	1590626.9430	1958268.4570	2171929.2000	3596925.7710	4325048.5710	2234939.2570	2121486.4570	1737009.4860	1674761.9140	1866312.2860	2564697.6570	1136309.3630	1124413.8340	1189450.4220	775158.0207	264413.9181	199957.4612	2519733.8300	2299030.8580	2701144.3020	3996034.7310	9896936.9120	4727738.2080	5214829.4590	6155610.3660	9392816.9740	14510751.9900	10498501.6300	14395113.2500	5244141.6750	5114815.5130	2834328.5220	12263087.7000	6895488.3950	11388864.1800	505439.1753	435463.9249	440439.8470	802381.6726	867636.4483	853233.4586	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	59356.0571	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	1044383.3430	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	1773102.2750	1543800.3390	1381065.0160	316776.0257	341791.7614	339348.3971	4617908.3110	4316682.9340	4136707.7600	3805907.1060	4892561.8980	4556360.7830	4240397.4500	4280487.6900	4237740.2340	4113144.3240	3756826.2810	4668868.9560	5227752.8830	4938000.7890	5331323.2600
3-hydroxyphenylacetic acid	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	2750384.4700	3054124.6250	3292516.8870	187975.8743	266978.9944	204147.7984	494903.2997	590819.0043	809439.8013	1154101.6850	1146123.0680	1011133.4360	0.0000	0.0000	0.0000
3-indoleacetic acid	4636784.6720	3461396.0540	4830401.2800	0.0000	652189.5612	550258.3134	1397208.5470	1429159.5170	1495895.3580	2642426.0530	2979844.4100	3004113.9140	0.0000	0.0000	281012.9356	3918366.1860	3893738.8670	4298389.3350	405136.3563	401043.7442	401792.9868	1078103.5370	1158976.1250	1206580.4900	2268847.1860	2310127.1090	2324400.4720	172154.4513	0.0000	189839.2058
3-methyl-3-hydroxybutyric acid	14741108.3400	9705554.2580	15030956.7900	1517835.7640	1651798.2820	1359883.2630	3063236.0230	3510169.1480	3166261.0970	7048701.5880	7376285.1980	6968094.9860	709178.1958	836432.7883	704125.9928	12249335.0300	13598744.1000	14534504.3800	1300248.6140	1311009.8980	1254379.7750	3193216.4430	3482347.9270	3293074.0700	6781645.7570	6464336.5190	6605170.4820	621055.5252	681734.7781	687956.5326
3-methyl-L-histidine	161618120.6000	152581338.8000	144903663.0000	134568360.2000	146494429.9000	144163189.8000	157805228.9000	146165435.6000	162159537.2000	145184092.0000	147069555.3000	130366339.7000	153009795.2000	146574797.1000	140310665.7000	260375546.9000	216693321.7000	243348083.4000	254256311.9000	225681244.0000	255051824.1000	224622238.2000	231514419.2000	218811317.9000	235341177.6000	221843610.1000	250823801.3000	248585874.0000	242070569.7000	234452870.8000	177127986.2000	149245653.5000	162460341.4000	159207042.4000	136167686.6000	136241035.0000	147375277.7000	129104441.3000	154022500.4000	164382408.7000	164582740.6000	166142175.6000	152808310.2000	118150577.9000	137802493.8000
4-hydroxyphenylacetic acid	8373927.2730	6550961.2850	8144397.7210	12868690.6400	14308245.0800	14805012.7900	18728495.0400	14432454.7500	17216070.7600	13072364.7900	13495288.5400	13318180.3000	13688991.6200	15422046.3900	14657047.0400	13845379.6000	14685410.2200	13771811.9400	900035.1812	980231.8187	807657.0388	2328619.2000	2191175.4720	2411448.5230	7864782.8000	6934078.6860	4176003.7140	4587888.4570	4599395.6000	4510355.2000	4191390.1140	3605309.4290	6326934.5430	6705130.9140	8405722.7430	9475619.2000	3790494.3430	3244022.8860	6808133.7140	6193016.2290	4149972.2290	4367467.0570	4351482.2860	5030175.2570	7235434.9710	6693294.1710	9166261.0290	6908159.3140	7644680.6290	8561723.2570	8369058.0570	9886305.4860	5789833.3710	6534545.3140	4363852.9140	4527541.3140	2129746.0570	2576095.3140	927020.4000	1069682.5430	10677155.0900	10881278.5100	2263290.9140	2247760.8860	5548950.4570	5363751.9430	24613961.0300	27395033.6000	2970715.5430	4190435.7710	3598629.7710	3043041.0860	6563242.0000	6366723.8290	6419038.7430	6557591.3140	6930706.8570	5364058.4860	6604796.1710	4225706.9710	8338773.2000	8483486.5710	4605377.8000	5121693.4860	4095308.1140	4664706.3430	807114.4857	812061.4286	6711074.6860	6985859.7710	6286413.1430	6617682.0570	3177774.7140	5340833.0000	4372276.8570	4441105.2000	15057330.5100	15756586.9700	3933201.8290	3677783.1430	5663475.2000	5060211.7710	2744361.8000	3562470.1140	4294032.6590	4391869.5480	4665075.8220	445013.8936	521736.6574	458506.8797	9317249.4600	9816640.5850	10434472.0900	19551354.7400	22509810.4400	18126210.2700	19558324.9600	18282041.8400	19587207.1500	17949846.3500	17335791.6000	17617351.7500	22821923.8600	20392136.4600	13279214.8900	18795881.0300	18289121.5500	17267718.0200	909768.8453	916234.0907	879829.6369	2242804.7220	2413027.1720	2431821.0400	6258090.5710	7220507.6570	4604956.6860	4918366.3430	5706081.0290	5811626.2860	4794892.9140	4716280.1140	7675176.5140	7484770.0000	8587359.0860	9990108.0570	2827439.6570	3317160.8860	7592296.7430	9464354.3710	5935362.8570	5298030.0860	5649520.0000	6070484.1140	9105978.0570	10435065.7100	7697218.0000	8807619.0860	11064549.3700	12835070.5700	12822268.8000	11814326.6300	5914267.8290	6357469.7710	5512338.7430	4562020.6290	1960305.3140	1582514.3430	941109.8571	1083166.1710	7871490.1140	10964758.8000	1908222.4570	2043663.2000	7383735.8290	6583921.3140	23813763.4300	25400344.0000	3254797.9430	4131885.8290	4142907.9140	4437471.5140	7603758.9140	7578915.0000	9189188.1710	8735245.6570	7231310.4570	7387233.9430	6939383.8860	7067402.1140	8905476.2860	9022249.5430	6219375.2290	5506215.4570	4576924.2860	4417507.1710	786581.1714	917061.9143	6327450.2860	6893435.6000	9587316.2290	9758088.3430	8786829.6000	7941546.6290	5650391.6000	5609336.0290	21855316.2300	22251618.1700	6358447.4290	5659752.8000	5046926.6570	5936109.1710	2404862.2570	3215350.8570	4877201.4170	4753496.4010	4953740.8610	419477.4114	476626.9259	468179.9034	14044449.1900	14013397.0300	12827952.2900	12108090.8800	13468568.6800	12434404.9200	13633209.2900	12330863.7800	13006955.0000	12758023.9700	12356100.1800	12469084.2000	15491323.5200	12638568.3700	16055749.4200
5-hydroxyindole-3-acetic acid	9965447.2290	8164341.5430	2631063.7710	3031696.5140	11184301.1700	10078772.0600	9038866.1140	7621010.9140	10659290.9700	12856469.8900	28979129.5400	31958949.3700	5611442.9430	4834482.0000	17901131.4300	17714860.1700	3070440.8570	3041818.7710	10976651.4300	15517116.7400	12629096.8900	11651465.5100	16782621.0900	12271492.8600	13003525.7100	13865636.0000	24238587.9400	25081103.5400	13995113.4300	15540894.1100	9589168.3140	12300897.6000	3278866.8860	4428755.7140	560940.4857	1262515.4290	9748633.4860	10289840.1700	2433217.1140	2775559.7710	8880825.4860	8264558.0000	12204006.5700	13127695.4300	5921017.4000	8681055.6570	7118201.2570	5679695.4570	10474773.9400	10325075.2300	5755055.6860	7032253.0570	11169566.8600	7747155.5710	19469998.8600	11640768.9700	3389235.0290	4035317.1140	2366072.6000	2393341.2570	6460868.6860	6679148.7710	576259.1143	526867.4286	4169871.4290	4366416.6000	10982120.5400	12856731.4000	1951578.0000	3478809.5430	6190887.2570	6278623.6000	28352315.3700	31685433.1400	5966617.4860	6022326.5430	6114795.4000	5524639.7710	6602607.6570	8500621.8570	6552129.2000	7500375.3140	3007343.4860	2651368.3140	14862899.0300	13840393.0300	10645887.4000	8834126.2000	10625144.9700	10496348.1700	24781087.1100	29090741.2600	2826711.2860	3748188.4860	19165780.5700	25228994.5100	4250789.6290	2968811.8290	4827897.8000	5299567.4000	11018446.1700	11113177.5400	8446039.8290	9566048.8860	21367724.9100	19313095.0300	27761311.6600	18967333.0300	12572693.7400	15024972.4300	15957837.3100	12949465.9400	3224942.3140	2103938.6290	729223.0286	1120274.0860	8170359.3710	11646794.1100	1638691.6570	1484176.1140	10350404.5100	9283986.4570	6348372.3430	6048736.4290	5447205.4860	6579050.5140	8565467.9140	9510194.8570	6601845.7430	7930109.0860	7422745.4290	7175385.4570	8635925.9140	8239037.7710	6428029.1430	10081538.1700	3220698.3710	3291931.7710	2217321.5430	1970765.5430	5047671.2000	4122564.8570	621402.0571	845323.5714	3850812.4570	3726056.1710	17108459.4300	17783955.2300	6748703.7710	5514534.6570	7172446.2570	7644702.9710	24908052.9700	28937068.3400	8892975.7710	8081054.5140	5063513.5430	4636506.4290	5118785.6570	7651322.0000
7-methylguanine	14156529.5700	13826434.4000	13163592.4500	13268862.1100	11462364.2500	12522157.4600	13009232.0200	12107282.0800	13198958.7000	12462693.3500	13831306.1700	14492084.4600	14214237.8000	12662086.8300	12546178.5200	17686810.5800	20215503.8500	16184016.1500	18319150.8800	18640583.1800	20556315.8700	18920987.6600	17775008.0700	18164561.2500	19483564.5000	20553728.3000	19270118.0300	17426472.3000	16276236.4400	15747949.1300	16189175.3300	14495371.1400	15685885.9100	15591879.9600	16444950.6400	16060290.4600	17211587.8300	16525459.1300	16500296.1800	16390869.2800	14562835.9500	14862389.8900	15888160.9100	14782698.4800	16134956.0800
7-methylxanthine	12805421.6500	11366072.0200	13260197.6200	27524609.6500	23617964.2800	25142126.1400	31231074.4100	23922327.0200	27124582.1700	26519891.9800	23904643.4700	25057040.3000	25562971.8400	27910600.5200	24183741.5900	27349378.2500	25084192.6400	22479350.3900	1028299.3770	1219778.1940	997962.6108	3281234.7100	3126106.5730	3030771.2760	6758397.7130	6112327.4900	6582778.8020	694204.9739	664941.1719	588655.8900	13355376.6300	14350603.8200	15603490.4800	28740661.2900	28383803.9800	26565704.5400	28427210.2100	26338611.5700	29305247.7100	26457681.4900	24735429.2200	26232186.2200	27962431.5800	28787482.9800	29704722.0700	26634041.0800	25316065.6300	25047883.3500	860836.5497	805419.9013	974019.1260	2542451.5100	2932519.7210	2747743.1360	6069934.8760	6169656.9800	6177714.3700	351859.3237	409227.8663	408154.5441	30533282.3300	26923954.0100	28721477.5200	26323118.4300	24897098.2500	24925698.1600	31872696.9400	25223104.7200	29249036.0400	27579169.8600	26892852.1800	28211777.5500	33111731.1700	24799772.5900	31134885.0100
alpha ketoglutaric acid	6700531.6880	4186333.4130	6648634.5790	38302110.5900	47963903.8000	41400720.5700	43645529.2500	45993020.1100	52554264.2200	38774960.1000	50719965.2800	44978847.2100	47680029.3200	47799868.0100	40797186.4600	33178723.0400	43838785.0300	44697691.1000	559214.9436	790933.9144	508197.8391	1831868.7830	1792507.5970	1972912.4280	16601905.8300	14476643.6600	4710599.3140	5438892.3430	11938230.8600	11513301.7100	4469040.0000	6527184.2290	10602192.0000	12919887.5400	10296783.5400	12065493.9400	13644593.3700	7351509.9430	7233188.3430	6348736.9140	6883212.1140	7457184.6860	10551763.2000	7867979.8860	11329851.8900	7833858.0570	11874539.4300	8270993.3710	6620380.5710	7201410.5140	20249098.5100	24073895.7700	3949029.2570	4966824.0000	10991296.0000	13104104.0000	846984.6000	1793966.2570	1048940.9140	1212399.4000	12267660.8000	12491031.3100	1484012.6290	1195806.9710	8277518.8570	7862963.8860	12861648.2300	14566180.8000	20139690.9700	27135272.0000	4667592.0000	10786329.9100	6914974.6290	6677957.7140	3435410.7430	14113990.6300	8188699.2000	3893032.0000	6431621.0290	4808530.2860	4830223.4290	4975791.3140	5138374.3430	5926486.3430	7752972.9430	19866388.2300	356988.1429	382915.3714	2198770.0000	2796738.8570	2593913.3710	4649519.5430	1349329.4860	3514543.8860	4789979.8860	5030528.6860	9048504.0000	12096816.0000	4910823.7710	4797680.9140	3926203.2290	6560420.4860	3908862.1710	14779523.6600	3497934.8410	2918295.5280	3847445.1750	331466.6945	299979.5321	354889.4762	6672768.2140	7287693.5750	7675640.8400	50680759.3300	42719623.6100	48237791.5700	50299565.5000	50092224.3800	56574067.8100	48751286.6700	47743730.9400	48947536.7000	42741091.6000	44869429.7300	38333464.4100	49768101.0400	48660517.6300	47890946.7600	710839.9492	652072.8296	552756.3128	1408834.3500	1673304.8100	1564445.0590	12210138.2900	13929321.1400	5112300.0000	5594235.4290	14904374.4000	14948283.4300	8168497.3710	6618645.0290	13230206.1700	13974876.8000	10518616.0000	28695408.0000	5972662.2290	6828719.7710	8818916.5710	9835489.1430	10385908.1100	9043034.0570	9313482.2860	10018698.9700	20706797.7100	5267952.9140	9822079.3140	11500729.8300	10586661.2600	13806753.8300	31539110.1700	27705076.8000	4373399.0860	16939699.8900	16135057.6000	10613686.1700	2363942.7140	2408448.0290	1054158.4000	1378459.1140	8964586.7430	12915760.6900	724926.0571	1793303.2290	10519681.1400	34510211.8900	11773981.4900	11252069.7100	3966883.0860	5045695.5430	3958352.0000	4534376.0000	8568584.0000	19932096.0000	5236606.1710	4206781.7140	9432208.9140	9459152.9140	7025763.4290	9532880.0000	5639628.0570	5801747.0860	7692378.2860	6231850.6290	30247092.3400	3932490.9710	470926.0571	439726.6571	2485893.0000	3758775.0860	8582157.9430	8394726.1710	6367722.5140	5550336.2290	7063048.4570	6601855.0860	13342696.9100	13316959.5400	8373440.0000	7677943.3140	3907944.4570	5102552.7140	3632122.0000	5999279.5430	3231195.7810	3394841.2980	3221459.0460	273820.0193	298249.8551	309764.6111	39712132.4800	43793866.7900	34225660.4800	35947244.1800	35852827.8200	34943695.1000	40446104.1700	38031882.8300	34098528.6300	31961234.7900	43883145.5700	38064210.9000	46176745.3500	29049622.9400	40216468.3400
aminomalonic acid	2113128.4460	1670972.3210	1884397.2000	2527323.7830	3964647.0140	3608997.8310	3358324.4980	1861016.3030	2866659.7600	2591730.0100	181217.8121	2616030.8110	2538749.8770	2983865.5350	280490.2681	1990722.3900	2751524.1770	2397293.6490	19944.1758	0.0000	17102.9689	0.0000	0.0000	0.0000	1737550.8290	1524107.0290	660669.7714	720070.4857	1451519.1430	1490891.3140	1128820.0000	941104.4571	573853.3429	612673.6000	7175006.1430	7218786.4860	1177179.0860	561608.6000	2462376.8290	1167658.2570	434481.4000	466355.5429	924851.9714	1094834.3710	2383909.2860	2584528.6290	1190184.2000	828455.8286	2784484.0290	3277768.2290	3031033.5710	3681653.4570	819344.3714	833217.0571	5937054.2860	6720045.7710	213105.0571	230586.1714	106694.2000	135253.7429	1135851.4860	1146861.5140	97830.7714	113770.5714	1155059.7140	1112959.5710	2389260.5140	2684879.8000	770555.3714	1117774.4000	509128.5429	478286.3143	1557028.6290	1532724.7430	753810.2286	248890.0286	452913.7143	387495.9714	1401315.2290	877554.4286	247575.8286	724179.4000	889286.0286	431693.8571	398421.5143	685165.5143	93621.6000	106212.7714	221642.3429	654014.7143	411064.6286	408822.7143	199354.5429	365761.6571	274077.8000	281081.7429	2381973.4570	2489012.1140	374840.8857	408389.3429	444672.9143	325923.7143	677796.7714	884016.7143	916351.6803	719979.9678	908339.7488	50590.6650	0.0000	0.0000	7352041.8880	6659066.3650	7825737.4900	7820408.3370	8526676.7690	7053571.3360	17384763.5400	15947817.7500	13888924.0200	23245529.4000	22272003.6200	21752822.6300	11769468.3600	11449113.1000	8393301.5060	23748273.5400	23097932.9300	22192394.6400	12608.6062	13660.1809	10000.4560	542869.3808	275880.1438	764958.6655	2581352.8290	2938991.8000	5018288.7710	5293985.5430	10702213.8000	11169045.3700	2970957.7430	2657492.2860	1498397.1140	1452392.4000	19258953.9700	22870490.2000	3293021.0570	3893391.8860	2298194.0000	3013826.2860	578392.7714	499637.8000	2541394.8290	2766476.0860	10747327.9400	8407776.2290	679541.2286	763819.2286	3962887.3710	5021615.4290	5150793.4290	4668765.7710	468279.2571	485181.3714	61047149.0600	50044526.2900	169463.0000	140985.5429	126779.4000	141310.8286	1004696.4290	1374824.2860	95678.6286	64907.2000	5231128.4860	4811762.6860	1514253.8290	1703518.6000	3317062.2570	4522472.6290	1502008.3710	1695477.2570	3322967.7710	3425865.4000	784454.9714	712723.1429	1512467.6860	1432484.4000	2313231.3710	2376608.2290	1562775.3710	1533242.6570	568715.8000	464300.0571	1341315.2570	1314148.8570	103847.6571	127885.3714	463246.3143	492156.8286	8647113.5710	8709034.4000	792940.0286	702617.6000	1733330.8570	1666834.6000	3187664.2000	3364595.5140	3577956.6290	3288075.8000	1920356.7140	2163464.5430	5487356.6860	7856842.1430	1024063.4230	1839824.6480	1193378.1630	44654.5836	0.0000	0.0000	4147770.7030	4075134.1360	3145673.7120	3279100.1870	3094658.0870	2761659.2250	2049252.5870	2257039.5540	2315824.6740	2045124.3730	1960901.9790	2022553.5940	3242316.2180	1873040.4940	3101176.3080
arabitol	55734750.6300	42973951.2900	56120326.2500	59206177.4000	52575451.3000	52173575.5100	60515573.7400	63161536.6700	56701802.5000	59158403.1100	51983214.3000	62765780.1800	50149339.5400	51343374.8500	50418570.3500	60523431.1800	49087182.8500	48598776.8700	6057152.6220	6543682.5020	5636355.3920	15227700.0400	14352905.8500	16156014.9300	84721199.0900	76334618.7400	23094229.2600	25070696.9100	50472067.8900	52173028.5700	31358309.2600	26679936.0000	56039057.1400	61278910.6300	8722649.1430	9285733.2570	30421971.8900	27085880.0000	62682050.5100	56181917.0300	25265554.2900	26404676.5700	30780815.5400	35283892.8000	108659321.1000	101100884.1000	63615699.8900	46956443.8900	70263551.3100	76230832.6900	102122066.3000	101612282.1000	36483058.7400	40056115.4300	60401853.9400	65271770.2900	12132302.1700	14501389.5700	7739369.6570	8644696.6860	33785369.6000	34163520.9100	8246073.2860	8108301.2290	60404597.9400	56737750.1700	97662772.5700	106154180.6000	26836781.2600	36345686.8600	32738800.9100	29131243.8900	39295525.4900	37814565.4900	48282638.6300	52649715.2000	43480829.2600	36183751.7700	57404302.6300	38022474.9700	27376934.8600	28149447.7700	25837970.2900	28946311.3100	46531133.2600	45927272.0000	4723847.4290	4639460.6860	31339718.8600	32920944.2300	55647291.4300	61478706.2900	21870656.9100	35484308.5700	33949520.4600	35185149.2600	62745685.4900	68072494.6300	39854800.9100	39939499.4300	38882213.4900	35146239.0900	45133159.3100	55992814.4000	28867368.0600	30046051.1100	31877908.0500	3052030.1230	3585567.8620	3039706.6600	59547425.6000	61068782.1500	65685296.8300	63794085.4800	62454825.2200	61070391.7000	62891596.4000	63356479.3600	65222558.3300	60951841.6800	59879142.4000	57957268.8100	64107111.3800	64793950.9800	69048635.9700	64547154.6000	61922935.6200	61102201.5800	5681419.5590	5673412.3740	5429729.3790	13587133.7700	15018727.7600	15076832.6900	66851038.8600	75504994.2900	24589655.7700	26055958.1700	66464385.6000	69197268.1100	35139700.8000	33968675.2000	63822398.4000	62739906.9700	102434519.8000	10037773.9400	22159298.7400	25726828.3400	66997384.6900	82501921.6000	35594112.0000	32561347.7700	37749402.0600	40654024.5700	122997437.3000	117008670.2000	51506820.5700	56925952.9100	141097119.1000	117929023.5000	89142500.1100	82010367.5400	36127460.8000	37838257.3700	79174572.3400	67048451.6600	10729700.7100	8723173.0290	7622749.7430	8416762.4570	24836044.8000	33581309.7100	6773900.2290	7149314.0570	75729426.7400	71457506.7400	94449720.9100	101008439.8000	26697071.0900	34791283.2000	40153159.3100	43496296.6900	44967348.1100	45318592.0000	66384967.3100	63596798.6300	46889918.1700	47191165.7100	62714733.7100	61865928.2300	28729914.9700	28973708.3400	34317701.0300	30199041.8300	43250781.1400	41780053.7100	4672443.4290	5439094.6290	31042660.1100	32671292.8000	75674263.5400	75896807.5400	60513552.9100	55354856.2300	45710696.9100	43776827.4300	88552525.4900	92732242.0600	58072059.4300	53500372.1100	34902862.6300	39946935.5400	38117815.6600	50181825.0300	29567812.1500	28535873.2800	30280231.3800	2621137.4040	3066633.9770	2956236.5340	57827688.6300	48397837.5400	57993191.3500	43162931.9100	47037817.0600	50390897.2500	49050866.3000	52171249.5500	57381052.4200	59150212.5200	56046811.8600	55256673.7800	53723303.2600	53739152.9400	52972663.6800
benzoic acid	1483089.7660	894242.3236	1417508.5810	2704974.2570	3761133.7870	4162068.1450	5309097.8440	3006530.4290	4651251.5890	1350912.9090	4932418.3090	2504713.4440	0.0000	3616337.7970	3584610.6810	2812919.4430	3679566.3400	3757696.0290	234095.7869	260124.5650	207458.9165	364013.3377	406464.9646	354580.6516	8411069.3430	7143532.6000	7900559.6860	6092262.1710	8461656.0000	7992566.6000	4271980.7710	3191312.2570	7093325.3430	41333863.3100	6397559.6570	8291406.5710	19223357.0000	17132234.5400	3931125.4290	3774274.2290	4661563.2290	5711337.9710	8688896.4290	8735002.7430	39170979.0300	27419848.7700	17618109.7100	12887119.6600	15142390.9700	14796729.8600	18339038.6300	15552708.5700	3498722.2000	6542400.8570	7053262.8290	8339945.8290	4664398.1710	5156001.4570	3690812.2570	4432000.7140	10736156.0900	10586331.2300	4702362.2290	4068815.3430	11745214.4000	7974724.3710	8511054.0290	10608293.0600	4467830.4290	4793751.6570	4696121.3710	6351081.2860	7803134.4860	369750.7429	310824.5714	22401689.6000	5376954.4000	6072823.8000	7043791.0860	8387264.3430	3520590.1430	14069093.6300	3803815.6860	4322016.9710	573720.8857	6898777.2570	301427.4571	2465150.5140	301318.8286	2327395.7710	20612416.0000	2277929.3140	241861.0857	6090614.1710	5520127.0000	5508384.9140	10081623.1100	7304757.2000	32812695.7400	758723.2286	2813948.6000	5703965.7710	5193409.5140	8231469.6570	697126.3459	645595.2452	707567.7663	160086.7270	138456.7288	169305.1414	1941224.4170	2112945.8540	2244253.7360	5596631.1330	5045007.8210	4991700.8250	5273759.5380	5115614.8810	5450889.4070	4947467.1050	5116569.1790	4795271.3750	5390286.4360	6810839.1600	2150022.1740	5222245.9120	5482842.3890	5174693.1780	298265.7483	295858.4346	293459.2606	586911.0619	631852.9040	626722.0339	1685125.6290	2620308.4860	1631046.0860	1442012.1140	9905387.7710	12432525.4000	1766660.1710	1758864.4570	2066031.2860	2205269.3710	2274954.6860	2445217.6000	16162971.5400	19416049.8300	2502925.2290	2740407.1140	1562506.8290	1810855.0570	1814639.2860	1771942.5430	5727215.0570	3600567.2860	10244003.3400	9590428.3140	29417296.3700	23681172.5100	1512098.9430	2488625.5710	1079299.4860	1672090.7140	2612973.0860	4257888.8000	1058461.5140	452229.9429	840050.8000	990324.6571	4319843.5710	4825534.4290	554112.1429	598294.4571	10809573.8900	5156443.7710	1526377.1140	2938404.3710	1158902.9140	1581802.1140	4160884.5710	8670371.9140	1188997.9140	1675100.4570	2459149.5710	2496789.6860	2822205.2290	2523949.6860	1921636.0570	3114371.8860	341386.4000	316111.4286	1390733.8570	864806.0286	1705065.4570	1663683.8860	441525.0571	454406.8000	831067.7143	1082796.6570	6976142.6000	7108260.4860	7073433.4570	8256352.1430	4825243.1710	3621415.6000	2585192.7140	2763923.0290	7376645.0570	8967711.9430	436820.6286	4547827.5710	4202425.6860	6976089.0570	1109727.8880	1120726.4070	1115826.9120	172143.1583	192532.7300	201439.7773	1473541.2560	3077185.1800	1860231.1830	2171110.2800	2095486.8180	1513840.8250	3098539.6370	1006278.5010	2227030.1570	1565369.5300	1775892.8380	1156150.7850	5078491.1500	1239355.3060	3315848.2520
beta-alanine	2989270.1620	2491883.2420	2977035.0130	4546440.4560	9491130.7850	11238130.1100	10758745.6300	11023030.0500	12140994.5400	10027009.0000	11606128.6800	5812370.8660	8667770.2650	22900629.7400	9686543.1520	1445902.9810	6569114.9450	16248632.7500	502869.2587	516124.9264	471630.8982	988498.3401	975644.9264	1042018.8790	1753993.4780	1760801.4140	1956398.7700	247209.7222	295519.2580	237716.8654	3376712.0070	3515403.8620	3662432.3040	5400535.9180	5417816.1690	5060494.5530	4693287.5630	4510810.1830	4540775.8010	4205402.1720	4204296.8300	4280830.9130	544041.5394	5488787.9540	15070790.5500	4683107.5660	4424249.8500	4407504.5300	442118.9996	442768.8507	420562.7878	986968.4836	1052304.3400	1112093.6900	1863314.3310	1800761.0700	1871900.0070	206162.5795	237593.4263	239892.3230	7393681.0000	17499282.1700	6395485.0000	8182355.8800	6627684.5060	3397756.6260	10331244.8700	6985658.2360	6902600.0000	8032216.2120	10038620.6000	6956713.6500	18969044.9600	4611849.3120	6970378.2460
carbonate ion	2511479.4480	2576349.0500	2425625.2010	1343198.1550	1499744.8070	1331030.2690	1106284.7460	1366996.9350	1201426.5650	3789080.0570	3520653.5140	1106514.0000	3556392.1430	2869841.2000	4572914.0290	2657688.2860	2244461.7430	2714616.7710	1332107.8000	2886369.8570	3095527.2290	2193991.2290	2056832.6000	2007909.0290	1731332.3430	1911962.1140	1904000.7140	1986420.1430	2086940.5710	1774353.7430	1343086.8000	3199895.6290	2325966.1710	2918023.2000	3277525.4570	3720909.1430	1553171.6000	2688532.3140	2136768.4860	4903264.1140	6096490.8570	2119559.0290	2433042.6570	3600046.9430	4413914.4000	2353582.1140	3123620.9430	2271462.7430	2229479.2290	4568846.1140	3672552.4000	5031934.2570	5440238.7430	2172726.7140	3353822.0290	2275482.1140	2602334.9140	2082082.6000	2022233.1430	2201820.1140	1360620.4000	1845411.2000	1957407.6290	1864249.4860	2595483.1710	2449509.5140	2069086.2570	2552743.3140	2732245.1140	3086318.2860	4111879.0860	2112804.4000	2114128.1140	2924505.8860	3125925.4860	2619217.4000	1790967.1430	2709643.7140	4700458.9430	3852530.2860	4124685.6570	3374701.1140	4280662.4290	1903975.2000	1816284.7140	3370188.4860	3138242.1140	3499313.1710	4261205.4290	1937328.9590	1670798.6870	1646180.4740	1155514.8880	1289404.4980	1256486.6630	17590249.1500	12815916.4700	16965676.5000	1694223.3170	1370986.6650	1502819.4610	3870687.5570	2129478.6730	5779479.4030	11658191.2600	13233384.2900	42095843.2000	43534610.1100	46378755.8900	47027496.5700	8936532.4570	8526111.7140	20402471.5700	19691770.0000	20928901.5400	9441021.6000	38757269.4900	47018822.0000	16401108.8900	20131948.1100	3396039.4570	3524936.4000	10039581.3700	10779652.1100	19065336.9100	33717818.8000	3246549.4860	5849475.7140	5773403.3430	5062494.4000	13247624.6000	3872638.9140	10271579.9100	11002373.7400	105054230.5000	114105019.9000	2101048.4860	1706564.6860	3796286.0570	4484669.4290	6896725.1140	8905335.9710	3166350.7430	3171690.2860	31574083.7700	28700152.0900	8346290.9710	9314863.4000	42864514.7400	55374689.2000	13947461.4300	15787296.8300	10035142.0000	9732496.7710	17608658.3700	16824461.2000	8077682.5140	8090248.3430	9171429.3140	9272941.7710	13282188.7700	12103309.6900	5511225.4570	4672957.7710	17329367.7400	16784020.0600	3170314.0860	3721984.2290	16134081.7400	17840657.6000	81829339.3700	83740558.2300	17197157.0300	15533636.4600	53177314.1100	51789985.7400	11178262.0900	11740399.2600	56112597.0600	52364996.4600	22772776.7400	23561240.4300	54581667.4600	79915039.2900	3874759.0190	6056502.4120	3634482.4340	819217.7730	981316.4655	1137737.5370
cholesterol	530774.4357	505379.4082	521438.0047	835535.5562	513115.6725	537570.9681	616600.5242	556418.9298	573011.6100	499640.0692	578412.3763	680076.1508	627429.0823	708431.5259	669801.5165	172451.9429	142457.4286	72186.6286	81974.6571	178371.4857	170478.3714	69468.0286	58546.6571	196819.7429	209131.6857	139380.1429	154460.0857	147455.5714	139332.8286	308012.6000	339647.2286	121842.9714	120649.2857	49326.5714	80451.9143	149970.8000	134678.4000	390129.2571	309384.6000	194045.6857	203944.0000	16790.6857	0.0000	222786.9429	263987.6000	387965.9143	449755.4000	99737.4286	121213.9714	5366.2000	10036.6857	126021.6286	144309.3143	0.0000	25275.9429	172721.4571	159328.8286	172266.2857	192826.4857	48783.2000	78181.3714	70000.0857	54307.7429	147630.6286	140998.4000	75856.2571	80048.6000	105939.6000	81792.7714	189882.6857	116611.6571	87086.6857	98236.6000	62493.6571	61774.9429	97079.6286	88901.1143	0.0000	0.0000	58955.0286	62833.0000	115897.7714	132157.4571	47727.5429	81968.5714	93612.6857	89617.6286	225228.5714	250748.6857	118737.6857	126606.5714	62053.6571	54287.1714	99536.2857	130441.5714	677479.9228	698951.1389	594386.3341	642247.2196	587240.4081	655262.1983	615221.7349	613502.2928	607335.5126	778749.7802	657483.1737	597120.9242	629058.7778	635891.2513	619285.4979	136561.1714	161654.4286	78673.6571	68820.3429	222215.8857	210083.1714	86428.9714	74121.8857	218367.0571	208788.5429	125780.2000	142035.8857	126873.9714	151620.3143	331784.8286	404865.6571	157096.1429	124249.4857	32973.0571	90203.9143	181352.1143	189957.8286	354082.5429	341276.9714	263902.8571	244783.8286	354088.2857	319938.6571	209953.0000	223665.5714	491514.5143	417685.2571	91689.9429	67318.0571	12336.3429	16142.1714	37515.2286	144310.7143	0.0000	6298.8571	177808.6571	163219.8286	156620.8000	193002.5429	58615.4857	82929.8286	69745.3143	74256.0857	164224.7143	162451.7143	101626.1143	97729.6000	118507.6857	114754.9429	193074.5143	171048.7714	85903.1143	79534.6000	77816.1714	64868.4857	101025.1714	93824.5143	0.0000	0.0000	62531.6571	55045.6857	153386.7143	151492.6857	111659.9714	94947.2000	101532.5429	106083.1714	242559.4857	179208.1143	142542.0857	121147.2286	66064.0571	61838.9714	94860.2571	120031.2571	543791.1556	523218.6016	488175.8865	522622.0486	713412.4277	703399.2762	765788.9351	783720.5962	679817.1062	540160.1279	719629.3199	540680.1023	731992.3565	679477.4383	759993.7310
citramalic acid	3058060.9940	2025539.9750	3039532.0380	5399731.2490	7085821.5010	7488158.6760	7624220.6910	5290706.9040	7564496.2770	6048733.1130	3112066.0000	4925763.3010	6864054.0320	6810001.6770	5496480.2970	5448514.5000	6850200.4130	6575459.2890	323864.7340	353670.3252	280869.6101	771061.6004	699299.0748	789972.3392	12206504.2900	8647626.9710	3743727.7140	4109354.1710	10178869.1400	10318938.4000	3794531.0000	3081787.0000	5942301.7140	9253985.5430	15004523.0000	14053565.0000	7136600.2860	5202005.4860	10211459.5400	10015019.6600	4774509.1140	5078346.4570	8690506.0570	9337750.0570	14569221.0000	12553470.0000	16044258.5700	11236793.7100	12977397.2900	14777402.6900	10981275.6600	14639588.5100	5993860.0000	8112918.5140	11363134.0000	13055050.0000	2273682.4000	2855801.8290	2185617.4860	2528099.0000	14273803.9400	14617840.4000	1875475.6000	2223274.3140	5328733.8860	5488919.8000	3541717.4860	17352753.0300	2567656.0000	3762198.0860	4317992.4570	3533011.4000	8194005.2570	7989509.9710	5260970.0860	5570934.4290	9313293.4860	7023868.1710	8843066.2570	5267256.1430	4102401.0000	4529188.0000	4589048.4000	5074068.6570	3515936.0000	62796584.4300	1073561.7430	748301.4286	5183417.2570	5639329.6000	3970846.4290	5792567.9430	2485286.8860	3883840.2290	5662930.9140	5869039.2290	4531108.0000	6605807.0000	4938768.0000	4659574.0860	3600463.2570	3213189.5140	4366408.1710	7758789.7710	1397066.7690	1490651.4920	1611134.2030	164557.6476	170833.7793	170613.2242	2290947.7870	2585655.5160	2667227.7540	11752192.8300	8173499.9960	11231831.2900	12017503.9500	11156226.6100	11460935.8600	8940987.4960	8389431.2830	8310065.2670	8559467.5680	9114632.0970	4381563.4090	9022717.9920	8617339.1330	8067616.6930	365704.0104	273182.9102	367117.1558	708522.2631	904107.8902	679011.7377	7545176.5710	8668276.8570	8487806.0000	5401048.0000	5038331.5430	16129645.8900	5228689.6000	4273193.9430	7120877.6000	7051821.9140	29833073.0000	35593938.0000	4213020.8000	5129901.8860	11485393.0300	14476360.6900	7605840.6290	6654671.8290	11056783.2000	11785439.6300	28273562.0000	31644434.0000	12756290.4600	14896434.2300	21145558.9100	34903284.5700	18841196.2900	17589520.1100	6230092.8000	6636130.5140	83625352.0000	68969911.0000	2376897.2570	1480247.7140	2087712.8290	2465994.9140	9015608.8000	12167306.6900	1167632.6860	2059283.2000	9186128.0000	6676572.2000	5623689.2860	14055265.1100	5883836.0000	2246481.0000	5327450.6290	5755784.1140	9362885.4860	9244682.2860	5672178.8570	5518790.5140	10065714.7400	10138552.0600	9050806.4570	9235155.2000	2732180.4000	3985720.4000	4929368.8570	4311371.7140	4337882.1140	3972272.6290	820532.3714	623959.8857	3956489.2000	4524989.9430	14643761.0000	14624478.0000	5826285.0290	5766847.6000	6336135.0860	6130205.8290	7679023.8860	7363656.2860	8549978.0000	8180825.0000	3138316.8000	4275195.3140	9502909.0000	12783401.0000	1421408.6910	1154679.2450	1178921.4550	136125.8222	156248.1097	150591.0969	6116185.1080	7579205.3940	5463591.3630	4896948.9790	4882447.3610	3924759.1720	4355141.2220	4003394.6240	5996461.1550	4768662.6380	4709962.0910	5434925.7990	7291079.5910	3877379.7830	7528390.9390
citric acid	52951402.3300	102964023.5000	54216938.3000	48462587.0000	48177568.0000	52741043.0000	59935267.0000	46411967.0000	49178435.0000	45214896.0000	45249562.0000	48640214.0000	43422619.0000	50780829.0000	54210884.0000	51176232.0000	44081919.0000	42943549.0000	19112680.9400	20681030.2600	17634441.7800	44724766.1300	42187247.3100	46534670.8800	68081.2857	0.0000	19967429.0900	21884147.7400	54570390.5700	58922020.3400	97100706.4000	87268326.4900	87439465.3100	91643754.5400	36432640.2900	37530079.2600	79369899.2300	72597332.1400	61671609.0300	56671671.3100	83689842.8300	86565638.3100	52066844.6900	59606989.2600	28784654.0900	58274611.5400	66740125.0900	79818364.5700	201462.8857	33327846.1700	96266267.6600	91048322.9100	41952979.7100	46031394.0600	0.0000	33091372.8900	29667016.2300	35596689.5400	17784520.8300	23025295.6600	91925120.0000	92441456.2600	34847784.0300	34558791.1100	27578166.5100	26354583.2900	37487361.6300	41123833.6300	18257003.7400	26527037.6300	13384030.3400	11692823.5700	81308455.0900	79422463.8900	8084287.4290	9043115.2290	80174022.9400	67224110.8600	56311588.0600	38628680.5100	25153353.2600	25865469.2000	70281198.8600	77572340.8000	22822091.4300	23083105.8900	1220594.8000	1145395.3430	8787008.5710	9092441.6000	19175312.4300	20859215.6600	9592468.1430	16063264.5700	8996613.7140	9104266.6290	61974804.0300	64930815.7700	18029480.5700	17616135.3100	12610930.6000	11038691.4000	9701088.3710	12637918.1700	79962106.8000	82085935.1100	86615146.7900	9965260.0070	11698752.9000	9767164.5320	152640182.7000	153740479.1000	164625260.5000	81936431.0000	92323615.0000	77397272.0000	82903074.0000	77672430.0000	88045143.0000	79134443.0000	75128277.0000	78651725.0000	94760004.0000	93228440.0000	85389176.0000	77876708.0000	76736392.0000	73702023.0000	18828272.8300	18079478.0200	17430341.5100	42912058.8900	45721884.1300	46933938.1700	0.0000	23326448.1100	26973769.7400	28034885.8300	48702354.5100	25784367.3700	64777.3429	68290639.7400	31174844.8000	30809069.4300	33723641.0900	113883482.2000	70376551.6900	79318362.7100	74290956.5700	0.0000	6398404.5710	39234097.4600	81715926.5100	86392180.7100	127560745.6000	109907634.3000	19651662.6300	21924833.8300	158053756.3000	150305286.3000	117356853.8000	104483547.7000	47459619.4000	49731184.4900	124995574.6000	112745407.7000	25731787.3700	19948337.6300	19196992.5700	21794446.1700	80944539.8900	21370296.6900	26425421.1400	27539350.8900	36892085.7100	35491753.8300	28839467.9400	33055470.5100	20847198.6000	27622283.2600	22754592.0900	24623180.7100	0.0000	0.0000	11289794.8900	10933723.7700	86442125.2900	86166933.8900	50446180.7700	75753532.6900	24644814.6600	25012788.7700	60836658.9100	84789751.6900	22182496.8000	20953454.8900	1193323.8860	1673479.8000	7964033.2860	8268224.0000	23516620.2900	23336963.7400	28883008.9700	25556588.5700	14330908.3700	13724056.8600	28841381.1400	29974116.9100	29801622.0600	28050426.6600	10220249.8600	11397430.1700	9231073.8290	13025559.7700	85970527.9500	86329158.2500	88969033.0300	8993163.9880	10207025.6700	10060676.6500	63572863.0000	59014599.0000	61759042.0000	54928835.0000	63017932.0000	61888517.0000	68800472.0000	63284595.0000	62122194.0000	64720266.0000	55078366.0000	55434487.0000	64217054.0000	63125833.0000	69983232.0000
creatinine	45654593.9900	47655902.0300	50309323.4300	83005908.8400	122397804.2000	62156177.9200	120046087.2000	108592223.9000	77761477.0100	97729742.3900	74938623.7100	100174265.3000	65539799.3300	55856303.7200	84641782.5800	73623837.7700	64059514.7200	93967912.9700	32045035.9000	33420289.7000	30781502.5200	33617773.2900	32904908.2100	34452648.8100	36653871.0000	35322957.0000	36830067.0000	42930010.0000	12478518.0000	11052632.0000	38322242.0000	37098560.0000	20793905.0000	28810599.0000	23075150.0000	36464050.0000	24248556.0000	14841448.0000	35019006.0000	36128399.0000	45516074.0000	50131937.0000	32033807.0000	47558622.0000	9994980.0000	9335391.0000	42748416.0000	47593517.0000	29661387.0000	40379702.0000	41540660.0000	56749214.0000	50519948.0000	53834948.0000	19495417.0000	12699536.0000	18757935.0000	23645025.0000	23023146.0000	22265890.0000	43023187.0000	22285961.0000	36968044.0000	37481689.0000	32888679.0000	32852622.0000	24627012.0000	26218118.0000	19107628.0000	20719895.0000	59083352.0000	32819325.0000	44598059.0000	45939350.0000	35686153.0000	30739198.0000	61542196.0000	40935542.0000	36748130.0000	24250719.0000	44704526.0000	40080127.0000	44703460.0000	47379686.0000	17953283.0000	25213397.0000	22947828.0000	21164164.0000	49940137.0000	42290787.0000	14818099.0000	17147208.0000	14493264.0000	18909522.0000	18707619.0000	18702913.0000	51634398.0000	47010901.0000	24471705.0000	23170327.0000	23490715.0000	21776443.0000	12390656.0000	12493054.0000	39243774.9400	37259456.0400	40580873.4400	24548031.9800	30188019.8400	23875014.9900	350697340.6000	351003873.9000	362780955.5000	192413354.3000	224204551.5000	184468364.9000	240091605.3000	209612456.6000	267580541.5000	428026843.3000	271091343.3000	397259647.0000	376107729.4000	366143633.3000	241212084.5000	280313946.1000	360984231.8000	300596760.2000	50847474.9600	49048724.7900	46786114.1300	114042385.8000	80106430.0700	159728507.3000	165562455.0000	184431255.0000	243521814.0000	256656227.0000	246253813.0000	253930749.0000	192427882.0000	175919295.0000	172602310.0000	150733266.0000	198649906.0000	198280467.0000	175730643.0000	189356512.0000	216752136.0000	219759918.0000	74038183.0000	75018415.0000	75043319.0000	188880588.0000	187271783.0000	196635051.0000	71066662.0000	84018575.0000	52306911.0000	66178468.0000	178721695.0000	192626265.0000	130753100.0000	132732427.0000	252346898.0000	254548246.0000	35255960.0000	30725739.0000	23042463.0000	25125418.0000	79943894.0000	104005762.0000	55805851.0000	70949932.0000	266231403.0000	242237798.0000	135463406.0000	135303228.0000	133111216.0000	147460156.0000	169669906.0000	158046537.0000	195988512.0000	197344403.0000	200904591.0000	224618217.0000	185170142.0000	210316143.0000	68168676.0000	75144274.0000	151237989.0000	161086424.0000	84737342.0000	87589004.0000	246382859.0000	214782089.0000	28855755.0000	29543994.0000	167753019.0000	174959534.0000	278364584.0000	271806506.0000	109478826.0000	109992053.0000	228420526.0000	248082840.0000	159145341.0000	130886744.0000	292260008.0000	245571374.0000	135695153.0000	157310758.0000	166804441.0000	195381452.0000	156302500.1000	212283590.4000	153600698.2000	24984914.7600	28769428.9000	28471055.0100	89620609.8000	69306918.4600	82560819.8900	77379112.7100	103810188.8000	77539156.6700	90302319.6000	109731881.0000	90414335.7600	75498602.5700	97272780.4200	93092951.5400	87893872.2500	98955548.0200	91363011.0200
dehydroalanine	61000972.5400	48718832.7500	68998671.6800	950317.8109	1002175.6910	911738.3556	3051531.7110	3206588.3970	3733391.2040	11551672.0000	11090096.0000	12133778.0600	9259667.2000	13815178.0600	17005368.0000	11175576.0000	10968736.0000	24637874.9700	17098678.6300	19913552.0000	31052403.2000	11203752.0000	12092597.0300	13501896.0000	14355064.0000	8663168.0000	5252289.3710	6856288.0000	13239038.4000	27455872.0000	27472448.0000	27105792.0000	22597184.0000	24854832.0000	15643632.0000	18127744.0000	38749213.4900	10462072.0000	8685848.0000	41597760.0000	25734594.9700	5655251.2000	5073942.4000	2906515.0000	4813343.0860	14659432.0000	16162512.0000	6570864.0000	6128568.0000	19294736.0000	20617008.0000	27270720.0000	24302592.0000	7576920.0000	9475609.1430	9496905.3710	14064720.0000	9573161.6000	14279224.0000	7670208.0000	10805016.0000	18682154.9700	8212440.0000	17235704.0000	16582056.0000	11379320.6900	10769288.9100	9143913.6000	9672497.1430	20058800.0000	22507417.6000	3224899.0000	2082535.6570	9220040.0000	10072783.5400	17908840.0000	24772416.0000	8950992.0000	10535684.3400	11271334.4000	9437274.0570	24194552.0000	14173656.0000	8698520.0000	6883632.0000	10030546.7400	7692576.9140	17559416.0000	10456991.3100	34898186.7700	52254818.8500	45090573.9700	736888.7860	646546.6952	601611.2624	3582528.9240	2508585.5030	2364061.9650	457570.7719	468175.6799	460941.7414	852407.7615	971990.0879	1029930.5360	4349111.4290	4382136.5710	3119188.0000	3107175.4290	11710223.7700	35132224.0000	4321381.0290	3945643.3140	5164119.0860	4829275.6570	4714459.4290	5305976.0000	2212090.5140	2487616.2290	3881435.8860	4016273.8290	3972856.4570	3883962.4000	3499051.6570	3397784.3430	6027382.1710	5589626.0570	5302284.4570	5667947.6570	9287256.0000	27066036.1100	8727122.2570	10529375.9700	3029097.0290	3137426.8000	9685916.1140	5915489.3710	1543883.2000	1343809.2570	1212131.1710	1261394.2860	2998888.4570	2220765.8290	1171896.4000	1045226.7430	28980712.0000	16808536.0000	3640449.5140	4248504.9140	1857311.6000	2642659.7140	16380264.0000	18619588.5700	5101960.4570	5622009.3710	4419946.7430	4499405.9430	4385320.8000	4010470.4000	6226300.3430	6220499.8860	2752679.6570	2275645.9430	2620678.5710	2514724.6860	4160110.1710	3988688.2290	900113.6286	944719.7429	2843538.0000	7825517.0000	18790924.3400	19981744.0000	25932979.2000	16816012.3400	8824807.0860	8069538.0570	7076111.0000	6674624.2290	12385998.8600	15975698.7400	5379789.9430	5222876.8000	9424319.0860	26049600.0000	1575678.7540	1448989.8870	1690703.9080	221275.7230	264545.1189	247564.5102
D (+) galactose	5857408.0000	5398253.2400	6019016.0000	575145.0000	632069.0000	554208.0000	1743402.0000	1628538.3510	1811065.0000	3417288.8860	4017454.0000	3543192.1430	304284.0000	352655.0000	297151.0000	9724645.2550	8220897.5050	8745400.8190	1283048.7790	1293023.1400	1275555.2770	2147701.3540	2285824.4630	2408916.2390	3997695.1650	3834380.8470	4191576.2010	920142.7964	1005242.4730	989786.1994
D-glucose 1	26326333.3375	18034147.0000	26768004.8415	48319616.8405	47104079.2885	47916302.0120	55353177.3190	52065334.3620	53028860.6905	47881934.2730	47911410.1450	49799271.0285	43784703.0535	49073107.9730	48719692.0405	49728288.4555	45665903.2210	45368447.9160	3082290.5664	3432924.3654	3022513.7292	8020432.5270	6855789.0085	8283668.0550	52940643.6600	47399341.7100	26683224.9100	28882653.2600	61885941.0300	63128521.1400	37553379.6600	32299647.0900	41824885.9400	44861481.1400	28443481.6000	12428547.2000	12475602.2900	11005604.1100	58406068.1100	53475032.6900	2193707.0570	2373398.4000	26258400.4600	29961759.5400	68757123.6600	62813239.7700	68888722.7400	93619512.0000	73250215.3100	77375645.2600	98604882.2900	100843893.0000	44851064.6900	49189571.6600	3330597.4860	3757162.9710	14121352.2300	16771736.2300	7424506.9710	8424773.4860	27117317.4900	1504783.3140	15145338.2900	15040466.0600	2695345.1430	45662865.3700	59760969.1400	65136830.1700	21372554.9700	29301936.4600	29460592.4600	25892522.9700	36128231.3100	34947630.6300	22259606.4000	23892144.4600	45508626.2900	37135484.3400	74795134.1700	50493761.8300	26818544.4600	27133142.8600	20203297.8300	22733281.8300	45783883.8900	45506069.0300	4563630.7430	4495325.4860	24516380.3400	25743984.0000	38430751.0900	41411678.1700	10747853.2600	17115838.1700	2278960.1430	34137846.8600	35202764.8000	36988013.7100	38296266.0600	37815992.6900	32878260.5700	29437232.9100	34032468.1100	43876218.5100	13519433.2200	14211800.2225	15027146.7285	1592435.8033	1945189.7993	1591485.6606	37048528.0060	36078523.1300	39502225.4520	78719908.0000	74475666.4050	68961398.6150	77202129.0850	73867917.1350	79802577.5350	71921952.3100	71194644.7700	69855715.8850	73642822.7400	76141069.2900	71217141.6600	73065325.8800	75290770.5050	70461959.0350	3608988.9178	3665934.7626	3639423.0656	8583503.8195	9644480.5385	9659001.5035	44997609.1400	50967048.2300	30284886.8600	31590591.0900	73757478.4000	77120475.4300	49125242.5100	46431214.6300	52512680.2300	51260284.3400	17039597.4900	49376762.5100	9729233.3710	11312405.0300	87038652.3400	105365529.6000	4263858.5140	3949694.6290	34162135.3100	36798295.3100	94491106.7400	93973449.1400	7215576.2290	7993753.6000	135545552.5000	127572286.2000	141454587.4000	130667944.7000	47096576.9100	50082717.2600	150590880.9000	134830538.1000	13082701.7100	10416016.4600	8027108.1140	8838444.8000	23410858.9700	1403714.7430	13343726.1700	13868583.3100	63946263.7700	59853212.3400	62281594.5100	70426653.2600	21848944.4600	28814372.5700	1640641.4860	1768941.8290	47261308.3400	47394179.6600	33398254.6300	31720745.1400	52894884.5700	53042479.5400	80739240.2300	79246515.2000	31079422.1700	31583567.0900	32709403.4300	28762093.7100	42019362.2900	40619422.6300	4979877.6000	5801110.1710	29762264.6900	31303122.7400	54936597.9400	55310734.6300	31201331.2000	27941966.6300	46414390.8600	44596563.2000	68318138.5100	69783971.6600	59758095.5400	3013477.7140	30823871.0900	34899736.6900	29119625.1400	38848554.9700	18267843.1610	17180428.2820	18545654.8485	1870002.9612	2091869.5759	2003222.3771	49230720.1560	44374795.3510	44944494.8000	42296358.2770	45020359.3005	43979836.3720	47309354.2070	46570003.6860	47905207.6915	50792562.1635	46723829.5575	47219311.3405	50286912.5205	45887051.8740	49625546.2640
DL-3-aminoisobutyric acid	17084476.0200	13670130.1700	17204808.2300	18371821.3100	28744807.0500	23517806.4400	31208526.9100	22424945.7300	26777366.1100	22368098.3900	27018051.8900	20172649.1600	24257605.0100	26320149.2200	28385865.9600	19734916.4700	25613553.6400	23157859.2600	2137787.9590	2265700.1680	1869239.1380	5207550.4210	4748198.4160	5452746.7380	6233849.4290	5506961.4860	2112202.6570	2347803.7140	2837337.9140	3097538.4000	5976723.8860	5018778.6860	31651062.4900	34846596.6300	15478197.9400	14182172.9700	7780503.4290	7161734.4000	4676740.2860	4086712.1140	4669726.9710	4233199.2860	14392259.2000	16339162.0300	12599045.0900	11396426.4600	12852745.1400	7067469.8570	5325191.2290	5396997.2290	17897514.7400	17994657.3100	5900713.4290	5696978.6570	7661791.9430	8986106.0000	1867516.8000	2128551.3140	554781.0857	842737.6571	20721740.1700	21047423.6600	996867.0571	977097.5714	30228113.5700	28340453.7100	8016094.5140	8811119.5430	5155221.4860	7551330.2290	81316500.5700	74791154.7400	999577.0857	2586798.4860	7068391.0860	8044893.3710	2616727.5140	2249072.3140	7145048.8570	4786809.9430	5499239.1140	5913175.1140	7335881.2570	8168841.2570	30320937.0300	30229929.3100	1048230.7710	1199965.6290	4390323.9430	5473871.3140	13647089.4000	15304176.7100	11148427.4900	17686759.1400	8492088.8000	8590446.3430	10392257.2600	11593767.9400	10100068.8900	10322693.9700	13792053.0300	12365264.2300	6633572.0290	8110768.0570	9352641.4110	9747849.0910	10334314.1800	1061424.3860	1170686.1380	1057237.2110	17041510.8900	18130926.0400	19089900.7600	38964033.4400	34528158.0400	33660335.8400	34066847.8700	31530601.3800	36513590.5200	30755229.5000	28206214.6100	28249775.5300	35849934.4600	35398146.6900	27677694.5400	33514236.8600	32461148.6100	30574441.9600	1544832.9060	1538593.3760	1485814.7690	4092460.0180	4006343.0510	4407767.1800	4705747.1430	4710017.5140	1834350.9140	1766095.2290	3591420.1710	4736354.8570	6674303.2860	6069478.8860	26684674.5700	31270521.0900	10092742.7700	14489253.8300	5923269.6000	6943306.7710	4909553.2860	6074961.3430	6139192.1430	5625964.1140	16850387.6300	18101132.4600	15291294.4000	9083656.9140	6873485.6290	7274878.6000	9782192.2000	8208564.1710	18921467.2300	12502109.0300	5821327.4290	5600882.5710	10987380.7400	7898486.3430	1492016.6570	1094690.6570	860088.2000	907168.7714	13416150.5400	15410433.4600	841211.4857	639635.2000	33384314.4000	35397524.9100	5383088.0290	7286903.9710	4560166.9140	7322127.7430	38533540.2600	42213188.4600	2673372.0000	2749347.0860	9215667.6000	7381912.6000	2990349.9430	2747731.7430	7671081.5710	7436006.6860	5217280.8290	2899617.6570	9189625.7140	8050649.2860	21715379.4900	24448950.4000	1195431.7430	1458648.5430	4869734.9710	4561118.8290	20244727.3100	20179838.1700	30560684.7400	25216085.0900	11620585.6900	10026834.5100	8545684.6000	12935884.3400	15783436.4600	14663418.4000	11511607.4000	7685968.5710	4986459.4860	7516177.4290	8270260.6270	8110081.8390	8370674.8980	657742.5483	780765.6790	765078.2470	23060055.0400	25200695.4200	18327463.6200	13283548.4400	21163009.4000	21204442.0700	26922094.7600	19723990.0800	18659436.3200	17563154.5300	18965918.0700	18619438.0800	28869099.5300	20177174.7700	28747161.3400
DL-isoleucine	5035865.4340	8411246.1240	8971598.7490	875791.5004	427964.1736	1880679.0470	1571695.5570	757658.4684	48734.4321	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	23599602.5100	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	2816265.6730	0.0000	0.0000	106291.8812	180524.5723	169607.3268	4167077.3920	4303027.5070	4946976.1760	447152.4783	436345.8102	414312.2314	1047460.7030	1156180.4570	1050348.7780	2484067.4290	2812993.2570	1925242.9710	1896992.1430	0.0000	0.0000	2483006.9140	2457565.7710	3147141.1430	3161812.2000	5732551.5140	6699236.5710	765997.2571	898771.7143	2534942.4000	2697851.6570	1401977.2570	1221078.2860	1434542.1140	1463451.2570	5796868.1140	5911113.0570	2465401.2570	2765360.2290	8749814.4000	6324606.9140	6436309.8570	6291204.5140	1897889.3140	2033141.5140	4932672.1710	4342040.6290	604152.2286	490242.0571	445173.1714	527899.7714	1513490.2860	1569245.6000	0.0000	0.0000	0.0000	0.0000	5568117.0000	6198559.0860	1631433.0860	2169941.3710	0.0000	0.0000	2511298.5140	2347044.5140	3049343.8290	3083850.0000	2632479.9430	2596693.6000	3436938.5140	3393926.9140	2339737.4290	1886937.2570	1897408.3430	1664473.8290	1461312.6000	1403003.0860	300662.7143	348642.7429	1539899.2570	1661329.2570	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	6467164.4000	6364044.7710	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	2097717.6170	2108560.9200	2040145.2750	213040.8228	212734.5334	235175.9727
D-lyxose	12987922.9000	6570186.8960	8335582.8910	15422459.5500	17943558.5700	21590824.4500	22297291.7600	16498204.8700	25275025.2900	15682043.0100	20321993.2800	15904876.8000	16356210.0900	21142570.2500	18075712.9800	15870096.1100	17466960.6700	18717495.8000	1558567.1230	1586574.8470	1368882.8050	3553675.9470	3432606.9140	3451220.2190	4943527.4000	7017426.2540	8338029.1400	845621.9238	902675.5275	827132.4300	24943234.7400	25944872.8000	27883167.0400	31498251.4600	31579383.9000	29524795.2000	29407517.9900	29355166.5700	31395171.4800	28504846.7800	26762295.8600	27279411.0400	31333168.1000	31168060.4700	20219844.4600	29507618.2900	29130017.2500	28289751.8700	2405955.0020	2294653.4710	2061178.6900	5750093.5290	5542030.0720	6159829.7850	12616879.4600	12203958.6600	13643267.2500	880162.8550	1001246.9230	1120920.5940	17192607.4800	17682642.9700	15057531.8400	13614802.8100	15568588.1900	14318386.2300	16220335.7000	14824685.0200	15250908.2300	15219842.3900	14215537.0800	14521248.9500	19344027.3700	14646281.6900	19291349.0500
D-malic acid	1734244.9610	1850810.3670	1634386.8410	229600.1844	216681.2354	228171.8057	363928.9647	356773.6899	326810.0838	989520.8804	608641.6441	618859.1426	188848.9886	189289.7595	216192.8357	542088.1284	149124.6937	658649.3251	203190.3805	199538.1343	224254.4957	231437.9879	253114.8553	205502.0348	387754.2692	408990.0082	302763.9651	178498.6635	196542.4925	184225.3019
D-mannitol	10713644.0300	7734444.5710	11248597.9500	1042410.0970	1262965.8600	1146445.9120	3006995.4740	2813886.9330	2863986.1870	8855065.7140	7763376.9140	4957267.6000	5410854.8570	9867121.8290	10319629.7100	8844407.1430	7611642.1140	7826970.5140	8450717.0000	5276349.0290	5399393.8290	3218650.5140	2863151.2000	8754494.0000	8228423.0000	1353371.0000	1330860.0000	7407926.6570	8619163.0000	10690112.0000	9993729.3710	43111525.4900	32408752.4600	12596047.7700	12155482.5100	17317992.0000	18425952.0000	7706613.0000	8604123.0000	110767506.3000	21369136.6900	2484296.4000	2965550.8570	1343193.5430	1451466.9430	4970758.2860	5115560.1140	2506289.2570	2475012.1140	8086066.7430	7612271.5430	11063755.0000	11787022.0000	3388145.5140	4744725.8290	5090840.0000	4282556.1140	6326539.6570	5981502.9710	4503365.6290	4517045.7140	8607708.8000	6999257.0290	12423077.0300	8496889.2570	4044311.5430	4219966.9710	3725546.1710	4180025.5140	7664611.4290	7590862.4570	980442.8000	954919.3143	7481541.0860	7747385.6860	6498110.9710	6980738.9710	2033735.5710	3142431.0570	9277667.9710	9543928.4000	7526272.7140	7764230.4000	6341906.2860	6394113.6000	5650791.9430	5028762.3430	5686450.0570	7151876.6860	6000568.4990	5950411.0730	5975855.9530	526791.9569	686801.2289	565468.7437	14101271.1100	14017611.9400	14571370.9700	1257973.5510	1283561.7610	1222762.1580	2931273.4240	3183407.8900	3163342.9380	7341944.6860	8687889.9430	5724703.0860	5927478.7430	12364518.1700	13082205.7100	11287264.5100	10988536.6900	9699979.0000	9436444.0000	7834900.1140	8983219.6570	2454693.9430	3651692.8000	5884262.8570	7005759.5430	1929649.0000	1786651.0000	10124983.3100	11224733.1400	15186000.4600	15141409.8300	53862686.8600	59602129.1400	23835668.1100	23191050.0600	16056893.0000	14598472.0000	3041046.6290	3119065.3710	7143196.8000	22038746.0000	2315061.1430	1870737.9430	1390242.0000	1587986.3140	4152323.4290	5602656.9710	2243949.4570	2365353.3140	10692330.2900	10210331.6600	10273968.0000	11476312.0000	3471420.1710	4750223.2290	38461911.3100	41666067.6600	7921303.4290	7998021.9430	5976644.5710	5998360.4570	9210769.4860	10137923.2000	12356254.1700	13499851.2000	4173855.3710	4951035.8860	5417751.6570	5055109.8570	7049612.3430	6869014.0570	1070735.8570	1265183.3140	8750790.5430	9227938.2570	8952840.1140	8981207.5430	5743633.7710	5082896.3140	6834215.2000	6820889.4290	13758131.7700	14361507.6600	9994667.4290	9106207.7710	5131312.8000	5792733.0290	4731583.2000	6443726.8570	6431714.9470	6248147.0220	6524802.9210	643681.7244	721781.1220	723814.5491
D-(+)-melezitose	1564029.4570	1228092.5710	67474.7714	178534.7429	807005.9143	277392.5714	187098.6286	142338.2571	205980.0000	306022.0857	239008.9429	287142.9143	204708.9714	187400.6857	627841.2000	784290.9143	137376.0571	135162.0571	267564.1714	462755.3714	1224041.2290	1194156.8570	1871726.1430	1073714.5430	411765.6857	513086.0857	1711405.6000	1935052.5710	186682.5714	178355.2857	326235.5143	566484.9429	63592.3143	80291.3429	0.0000	72931.8571	556236.9143	557551.4857	120061.8571	127373.6857	652030.5429	613971.6571	284015.0000	317761.0000	93588.4000	184278.1143	124583.3143	88756.0571	421532.9714	427416.7143	222381.4286	326548.7429	622066.8000	341010.4286	631512.6000	304201.2857	174335.7143	228727.3429	259489.0286	277384.4571	229509.1429	256906.1714	0.0000	0.0000	58947.8857	68334.3429	129757.3143	92904.0000	128138.4286	187295.4286	169744.6000	152460.9429	194469.1429	241570.8857	53418.9143	67212.3714	151784.0857	67133.9714	236642.0571	383494.4571	1207921.6290	1506883.4570	56291.4286	64675.1429	466658.4000	376747.7714	244102.8286	217253.5143	343035.6857	316461.2286	264305.3429	340702.1143	174180.0857	198888.8286	739131.8000	1003381.4860	361405.2571	227331.8857	698812.2000	775775.5143	1533358.3710	1783881.0860	1414362.6860	1645061.2290	1228665.3140	1057074.7710	2852012.0860	2334357.7430	216493.8000	217248.6857	917713.2857	653744.1714	59339.3143	14725.1429	29515.8857	25183.9429	522204.4000	756114.1143	104588.5429	77258.9714	922601.7429	837136.6571	671525.7429	323157.4000	146522.6000	148460.9714	163321.5429	195494.3143	544496.7143	575678.7714	555413.1714	492746.2286	677308.0571	697173.9714	835579.5714	774109.9143	224186.1714	171452.1429	381063.7143	308325.8000	257601.5143	253282.8857	0.0000	0.0000	85425.0571	98397.1429	254995.0000	256578.0000	456160.8857	359618.7429	231222.2857	207930.6857	329846.7429	391958.2571	167206.1143	140268.6857	68655.0000	89914.7714	281670.9429	228867.2286
D-sorbitol	114012018.8000	90856952.8800	115477881.7000	19303361.0300	19783701.0600	19770625.5900	25725913.5000	21413364.2900	23066524.6900	19800710.7500	19172714.6000	21024559.6400	18451653.4500	20240796.1100	21931394.8800	21393633.6900	19636748.4800	17536629.9300	13044139.4600	14210074.2000	12833772.5600	33733056.1100	31911251.8900	35703994.7400	62818744.6900	56339674.5100	105640734.9000	111948099.2000	26219766.0600	27338169.1400	41108958.1700	35633586.2900	119056195.9000	8543102.6290	119251234.0000	120198321.8000	21927217.0300	19637767.8900	8685997.7710	8291707.6570	18536108.8000	19427675.7700	15192250.8000	17248396.4300	69344979.2000	64593764.5700	66802701.7100	50195715.2000	71681757.9400	75677930.9700	17148664.2300	18798846.6300	7481072.7710	8351972.5710	19066034.9700	20734572.8000	6094656.0570	7290455.2000	15546369.5400	17307551.2000	33277092.4000	33911668.1100	19420342.1700	19248050.2900	40004843.5400	37887645.7100	11202067.3100	12415105.7700	65142362.0600	87049823.2000	5272987.9710	128514859.5000	21523293.2600	20856959.2600	67763140.5700	72495883.2000	42332101.0300	35003340.1100	35130508.5700	23938658.5100	35574154.8600	36030467.3700	55763766.4000	63028417.8300	23278157.2900	23077218.0600	2552039.8860	2503941.4290	23967925.6600	25025080.6900	29129522.5400	31708281.2600	21225311.3100	33420344.2900	40178138.0600	41292108.3400	60618000.4600	63964871.4900	39242592.5700	39606654.4000	22043984.2300	19807816.2300	27048750.2900	33927239.8900	64217298.2500	67773964.5900	70838849.4400	6226960.0880	7861417.6650	6282504.7200	118565517.1000	118142321.6000	124987766.2000	27234416.4200	29929955.7300	26671978.1500	28891199.6300	27591849.9700	31635040.9500	27452916.7100	27298696.2500	26200407.9300	29051682.8800	30735729.4900	30285752.2500	26913177.1600	26447264.1500	25615214.3500	11792103.9900	12048927.6000	11561258.4500	29483218.4600	32038596.8800	32587189.8600	49652544.4600	55673836.8000	112151936.0000	115025576.6000	35416805.4900	37353139.2000	47655486.8600	45781743.0900	9846485.4860	9503451.4290	112669119.1000	123312786.7000	16059320.2300	18614029.2600	14121461.7100	17408977.0900	26256500.2300	24245863.5400	18794709.4900	20054765.9400	79389021.4900	77325701.0300	55515198.1700	60371016.2300	130610032.9000	117870098.3000	23729658.5100	21692205.9400	7818167.1140	8245129.8290	25206362.5100	21575636.8000	5347503.9710	4292962.9430	15333744.6900	16735548.2300	25844801.8300	33978917.2600	15946942.1700	16742610.5700	51138316.8000	48206942.1700	10474793.7400	11706177.6000	65290867.0000	83666452.5700	6865605.7140	7481302.0570	24391064.5700	24592857.6000	90846623.6600	87027962.7400	45971059.5400	46202150.9700	39255773.2600	38466511.5400	37613980.9100	38630606.5100	72629333.9400	65084001.3700	21377003.4300	20710671.0300	2583485.1430	2943438.2860	24483229.2600	25578997.0300	39820426.5100	39954114.7400	57857457.6000	52189552.4600	53740955.8900	52264613.0300	85069654.4000	88241213.9400	58275557.9400	54087935.5400	20052910.5100	22753906.5100	23064599.5400	31004903.3100	62406170.4000	60748273.1000	64676848.2400	5386906.1220	6330710.1830	6113868.9920	20183954.6500	17477132.2500	19161962.7000	18679342.7900	19664783.5900	19728467.9000	21396225.2700	20321790.3900	19478792.4700	21390998.3300	18269763.4200	18638115.9000	20562370.0100	19910183.3900	21781416.7500
D-threitol	169370478.9450	147563085.1450	173801025.0900	345470513.0000	221508086.0000	242898911.0000	282062239.0000	348119466.0000	237074306.0000	339285765.0000	215399020.0000	382713060.0000	222351886.0000	240542698.0000	254759079.0000	366569203.0000	217480195.0000	209949086.0000	30346785.8905	32229356.1555	26659208.1585	67993268.7240	64404860.1655	71091328.7360	60140783.3350	53893034.6300	18004747.0020	19671956.3130	44433906.9700	45325502.8600	26305093.2850	22619073.5300	36025356.2300	38607764.1550	44563186.8850	47625039.1450	30029719.8130	26114349.4300	34498232.0000	31307385.1400	22732856.5165	23803382.1135	22464588.8855	25975323.0865	649354773.7500	639648914.3000	52559613.8300	38729111.7155	46836446.4550	52562706.7400	72619979.0200	75628443.0800	20789587.4580	23105810.1135	38830161.3700	42326415.3150	9478499.0550	11389409.1995	4662743.6000	5291728.8855	113590622.5000	62559151.8650	6754467.5870	6677026.1130	38757381.2850	37042716.8550	54326264.6850	59604512.4550	17031613.8155	23908024.7695	22910401.8865	19558192.6270	37020867.7550	26234636.9430	20787987.2855	21818982.3980	30125163.0900	23589541.7445	48544171.6550	31920495.4850	20895533.3405	21036183.2295	46318114.5730	51398008.3730	23589469.1845	25083215.6020	3887033.0855	3330286.1570	25677877.7150	27156160.8850	29933613.3300	32940834.4750	10947156.6695	17989573.3405	26391997.4415	27453898.4405	40716719.6000	42006701.6700	32129147.4100	32458969.4000	20021501.5705	17860919.0585	29339169.5415	38063707.3700	108650517.1600	112890834.3050	74460114.6100	14385629.9325	16360996.3705	14701661.7120	170994941.7900	179095343.9450	193953245.4850	246982554.0000	280793320.0000	233441440.0000	236710130.0000	234862354.0000	239653210.0000	233420010.0000	224827092.0000	231109879.0000	283381706.0000	283809589.0000	404784392.0000	241795351.0000	241084317.0000	226070832.0000	28204209.7570	27923507.3370	26651111.9740	61693825.5280	66438436.7830	66556836.5405	46445495.0850	53026076.8600	18256072.9165	19407416.6305	54981345.4850	56300037.0300	28941121.3450	28197711.8250	40142435.6300	38964196.9750	40845699.6000	48093299.3750	20239833.9570	24749837.3420	35418471.0850	44210874.9850	31478742.9155	28761529.8270	32134784.7450	30145837.5430	657177236.8000	488245378.7500	40757156.6295	46154417.4145	84904222.4000	74372688.3550	90499024.8800	83302603.4550	20281116.1700	21258202.7285	48496259.6550	40000848.1150	8405078.6865	6771603.4285	5429412.7425	6106158.1145	117058208.4700	145942293.7950	5655226.5425	5828343.4855	47818178.4300	44278673.3700	48794439.7700	52425698.5700	16524207.5695	22078596.1735	26313697.5450	29104690.2850	29644393.6005	29875350.1985	28461836.0305	26907899.1405	30835251.7150	31094615.0250	50175656.2300	50352111.6550	21667412.1720	21217833.3445	60319648.0715	52912560.7355	22110280.4570	21392853.4570	3270945.1145	3840078.1145	22920537.6000	25056648.9250	41564333.7150	41777303.5550	30300250.5700	27800810.9100	34178892.9000	32867081.4300	55305194.8000	57663692.6750	48594942.1150	44790166.1150	17160245.0985	19418518.8705	24199370.6865	33162699.4270	68388712.9700	67483372.9350	69754605.8450	12863354.8280	14907855.8420	14577889.2805	367613681.0000	225787013.0000	373990571.0000	309385820.0000	333224309.0000	355461417.0000	295065600.0000	361555200.0000	339223660.0000	383576626.0000	334168540.0000	340230200.0000	243966663.0000	358910394.0000	258469992.0000
D-xylose 1	33866644.1150	30021695.5400	9238008.2265	10012021.0300	31216982.4000	31935593.1400	15109345.6015	13046213.2550	25518615.0850	26640555.2000	24900625.8300	26301242.5150	14528823.6550	12782368.0145	19982056.6850	18017400.6300	12705822.1730	13278110.8550	13809736.4595	15898501.2600	28049349.4850	25774782.1700	23215003.8850	17388302.1700	42326269.2600	46222460.1100	32625628.3450	35087376.0000	16148202.0595	17603806.9700	46700165.9450	51150262.8550	7204437.8280	8596671.0285	3131478.5430	3563670.6000	11981663.8300	12114589.2595	4402921.9425	4374523.2000	21095615.4150	20219816.0715	58245739.2000	63896298.0550	9375118.6295	12818011.6585	10654836.5700	9424768.1700	11200344.3285	10777058.7715	18597100.5700	19305021.2550	16447541.7150	13079843.4270	21728210.7450	14081670.8555	16743825.4150	16888852.8000	12507272.4570	14114948.1430	12102824.1570	13128956.0430	1706182.9571	1680748.0285	11827426.2855	12380680.3430	16018678.7450	17188815.5450	13726706.0000	22756725.4850	12442936.2285	12877860.8000	19918428.3400	20830474.2850	20639597.4850	19856239.7700	12995826.5130	4549321.5430	16089813.0300	20330562.2850	28721682.7400	33078145.8300	10351261.4835	10899562.5155	38154875.4250	40186011.4300	19251483.8850	18786246.6300	34298793.6000	33276395.4250	30691273.8300	36029619.2000	13702027.6700	16081080.1300	27280515.2000	34277961.1450	18872332.1150	17294714.2850	18565496.9150	20120582.4000	52731244.3450	38983656.4600	32386515.8850	36655147.7700	80275307.8900	80506567.7750	52007208.2250	37263516.6850	17288607.5400	18398223.3100	63134096.4550	53882869.0300	6496885.1855	5913709.6430	3195120.8855	3557178.6000	10391834.2835	14327636.1150	3924080.9715	4081932.4000	29964470.7450	28509465.9450	58462701.2550	63517099.8850	9663424.2285	12658432.4595	14640011.2000	15997795.8880	16025080.5715	15791430.2855	30466265.1450	29101648.9100	19480549.7150	19880754.9150	24594161.9300	24258399.2000	13194603.8850	13112847.7720	20385137.4300	17970761.2000	12760770.8000	12036874.3285	1732725.2001	2020737.8855	13867104.9150	14930469.4570	24961603.6600	25518110.4000	25964063.7150	37835678.8550	18787762.7850	17895670.8550	36652108.3450	37285094.8600	34874861.7150	32078032.0000	12575919.9145	14360604.2850	13696495.5415	18477135.5400
ethanolamine	50128539.1100	52216569.2000	40458180.0600	39485667.9400	36439667.5100	40215085.9400	36473648.7400	26451546.4300	29547947.5100	34996932.9700	55421453.2300	45470200.1700	40783133.3100	39686417.1400	53193637.4300	53384353.9400	26328389.6000	23159250.2900	60409476.6000	73683869.2000	57248759.5400	54693629.2600	65713365.8300	59451108.4000	44630815.8300	43917846.2900	94213737.4900	76824210.1100	42708779.3400	39660248.0600	43730007.3400	48749442.8600	29326315.6600	38007346.1700	10206655.5400	11054847.7700	30044132.5100	30017898.2000	18302472.0000	18082257.1400	49353905.0900	40415382.2900	42798185.3700	45847321.7400	10427281.9700	17142115.6600	20781023.7100	23589917.4900	32993349.0900	31797862.1100	21615362.3700	28555498.2000	33649317.8900	30769093.3400	38096195.6600	33498200.9100	16426096.9100	19005016.4900	17473712.5700	17831091.2000	79509925.6600	53995971.4600	10449687.7700	10005770.9700	27304334.2300	26619344.3700	41619958.5100	44813437.2300	24545602.9700	14473869.3700	24975086.3400	21350744.2300	44716031.0900	55136083.6600	46694171.5400	46250253.8900	40195569.8000	19592995.3400	20887897.0900	16877197.5100	39512152.0000	32755322.2900	19339540.3100	15965229.6600	36302010.1100	50332281.8300	21991835.6300	16759765.9100	23339453.3400	21828368.5100	40497863.6000	39250030.7700	21987767.8900	19831392.7700	42086178.8000	45575647.7100	29237851.8300	33323632.9100	36621046.0000	34512489.3100	67939153.3100	25907267.8300	55973529.2000	45531127.6600	85053413.8900	58394682.2300	86168384.6600	76406926.0600	25479107.0000	20959816.4300	28979813.8000	41733234.9100	18166022.0600	21115563.6600	6054517.6570	5085886.6570	24357130.2900	16373016.0000	11163378.7700	7038745.5430	32312574.7400	41884471.5400	28655712.5400	33813554.9100	9069028.4570	11278543.8600	36474062.1700	30588491.6600	17730350.0600	19767513.0000	22394636.6300	25362835.8300	29019422.5100	25999398.9100	38847476.1400	34805814.9400	13429373.4900	9932598.1140	12254954.1100	14431765.2300	39465968.0600	35151588.2900	2779163.8570	2610545.0290	14404740.9100	10211289.8900	35294082.4000	35043903.0300	27126792.0000	23672523.4300	18528864.9400	13852605.9700	49458597.7700	64207087.4000	53244984.3700	51797769.2000	14956656.1700	9846038.9710	7291587.5710	11387674.0600
fructose	77214863.5800	60235299.7200	79255493.6500	137419548.5000	138275732.0000	130527549.2000	154327768.7000	156849773.2000	154421724.8000	144202578.7000	141437665.8000	153151199.6000	132609309.1000	142061658.9000	137646936.9000	144752398.2000	137847205.2000	135893750.5000	8850615.0940	9417663.2610	8403630.8760	22532555.1400	20995024.4900	23622079.8800	22680860.0000	15564416.9100	7474699.9430	9502365.6000	43470844.0000	44588884.0000	68974382.1700	59003670.4000	19599200.1100	19000950.0600	13789756.0000	15028600.0000	59247324.0000	52936379.0000	66566797.7100	60862016.9100	25230483.6000	26502898.5100	15820414.0000	18197623.2000	92867360.0000	52043845.4900	31961176.0000	20982969.8300	67551838.1700	71877409.8300	50672322.7400	51876375.5400	35768518.0900	39620191.9400	95531066.9700	102573067.5000	3895214.9430	4553965.0290	7980810.0000	9031889.0000	43722251.0000	44814436.0000	12089888.3400	12046290.8000	42839394.5700	40747055.3700	86224480.0000	93551112.0000	21883743.8900	30260848.6900	27127820.0000	20311044.5100	32141709.5700	31021880.3400	17116125.8300	18740585.9700	24171771.0000	19441884.0000	72178994.2900	47034961.1400	77150519.4300	78445271.7700	20343581.3700	23365614.9700	30963696.4600	30684857.6600	13751742.0000	13469631.6600	118368998.4000	123758021.5000	46567599.3100	67309824.0000	8340321.0000	14281666.5100	76532925.2600	79132215.7700	15488073.0300	16463784.8000	34130766.1700	35016845.9400	29816011.5400	26671214.5700	45695761.3700	57217695.0900	42340232.4700	43970237.0100	46051081.8400	4445565.0290	5213966.7950	4415312.5880	90948508.9200	88292539.5800	96630203.0300	169502007.2000	170028039.9000	167071509.0000	175168418.6000	170758134.4000	170043950.3000	165134039.9000	171268467.6000	170817061.6000	165587438.4000	171749852.8000	175619252.6000	179904542.9000	183547341.0000	172525903.3000	8365432.6150	8158733.8120	8010859.4390	19635318.3300	22009381.0600	21561757.2300	19176458.0000	21884677.0000	10276738.2000	10829357.1700	43507876.5700	46445844.5700	90706448.0000	87874721.3700	23508006.0000	23223395.2000	22882972.0000	26473488.0000	42427074.6300	50756701.0000	100508257.4000	121085728.0000	39832142.6900	36763317.8300	21616571.4000	23317928.2900	108607831.8000	106710473.6000	31879384.0000	23089541.3700	112077176.7000	103604432.0000	68076043.8900	62822046.1700	37869996.9400	40339950.4300	115879738.5000	104504963.7000	3387966.0000	2549911.4860	8044480.0000	7847025.0000	36022369.7100	32089629.6000	10169603.1400	10737176.5400	59446593.3700	55964160.4600	84026296.0000	90349541.0000	21914206.8600	28656242.6300	37457371.6900	44283774.4000	40968136.9100	41048333.0300	25649664.0000	24766443.0000	24728982.0000	24640348.0000	75512653.2600	74135344.0000	87801194.0600	88521204.1100	35193280.0300	30591876.3400	28485729.5700	31431630.0000	13257871.3100	15327655.6300	137863864.0000	142957000.0000	67229351.0000	67743174.0000	24617964.2300	22050454.6300	107022675.2000	102131448.7000	27406345.0000	24097015.7700	53292922.5100	49446394.5100	27358914.8000	31352607.7100	40250063.5400	51757563.4300	43739975.6800	40138798.9600	43913888.6100	3804228.2970	4537108.1510	4118251.8780	134736405.4000	126938577.1000	138186528.8000	123146325.5000	128533286.4000	128350303.8000	137305804.2000	136628033.0000	142957270.7000	145905739.3000	140097356.8000	140022999.8000	149936232.3000	136988955.1000	143953710.8000
fumaric acid	3054391.9820	169377.1335	3598171.5720	996037.5624	932300.3404	898979.2836	3270450.8770	2039310.8600	1668510.3680	4297735.4290	23193106.2900	11422756.8000	0.0000	0.0000	0.0000	7280411.6570	9814652.3430	12251565.7100	0.0000	10027329.8300	0.0000	0.0000	0.0000	0.0000	0.0000	33970549.0300	0.0000	8781763.6570	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	33325820.3400	6776442.9710	0.0000	6887760.4570	7207902.6290	0.0000	0.0000	0.0000	816084.9429	0.0000	6327618.0570	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	3165875.2000	0.0000	6727435.8860	0.0000	0.0000	8093243.2000	0.0000	0.0000	6028458.0570	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	7340401.3710	0.0000	518426.2857	0.0000	0.0000	0.0000	3970512.4570	0.0000	0.0000	0.0000	6875887.5430	7097445.2570	12830194.0600	0.0000	0.0000	5890805.7140	0.0000	0.0000	0.0000	3358343.4990	5016174.4870	3172423.3540	950121.1437	853893.7087	764671.3730	2313584.0000	2470040.0000	2592824.0000	613693.5228	610686.0598	766823.1020	1375138.0840	1355468.8030	1702102.4890	0.0000	1851783.2000	1310296.8860	1283430.5430	0.0000	0.0000	0.0000	0.0000	0.0000	2030909.8000	1834284.3140	2331882.9710	0.0000	0.0000	1302631.1430	1458153.9140	2254637.8570	2013056.4000	1947409.9140	0.0000	0.0000	1355519.1430	3129794.0000	3388724.0290	0.0000	0.0000	0.0000	3300147.7140	1090832.3710	966756.3143	0.0000	2076916.7430	762684.8571	0.0000	748752.7714	0.0000	0.0000	1439951.0570	0.0000	0.0000	1308950.7140	1849927.2000	1201659.8570	1807785.9430	0.0000	0.0000	1690895.5430	0.0000	1382920.0860	0.0000	0.0000	0.0000	1610194.7430	1563390.4860	1580010.8290	720377.3714	1741802.3710	0.0000	1430665.1710	0.0000	1229816.7430	1265339.6000	0.0000	0.0000	0.0000	1075649.0290	0.0000	0.0000	0.0000	1015111.1430	0.0000	0.0000	0.0000	2501517.0000	2395545.2000	2871422.1430	0.0000	0.0000	589429.7429	1182948.8860	1684295.5430	1372749.0000	1866967.3150	332330.5318	400100.3600	429927.4885
galacturonic acid 1	20274730.3945	13544376.9725	20307956.6620	41902687.9100	42075369.3095	38428871.3840	45676182.1350	41790960.5875	42594183.8110	41162318.0800	43324459.0450	43669801.0440	33549076.4485	41038177.1850	41415754.6000	39495390.2150	39146922.6345	38241076.8715	2401036.1000	2703675.1170	2426360.5705	5523860.9005	5047392.5880	5780488.4975	39698575.2000	35117653.9400	30162325.7100	32989694.2900	42941204.2300	44090726.2900	22773583.8300	19416359.7700	44693962.5100	48045775.7700	27833583.8900	28410234.9700	32850099.6000	29641354.9100	42782423.3100	39194999.6600	3629312.9140	3873605.7140	28686985.5400	33048801.6600	68091583.7700	63662295.2000	66277820.2300	50011124.2300	64811624.4600	68220553.7100	17843371.8900	18000913.6000	35654764.3400	39386898.2900	49987809.1400	54480519.7700	12051056.2900	14377378.3400	6606946.2860	7514566.1140	29299926.1100	29913655.9400	6948704.4000	6886092.3430	35406133.8900	33638018.3400	10296850.2900	11293245.7100	12938359.5400	18099438.3400	28443935.0900	24857866.1700	30041595.8900	28968607.4900	23208311.3100	25111141.2600	37905918.8600	31016248.7400	55542723.3700	37321544.5100	2572319.6570	2628256.5140	2516797.6000	2807192.2860	31682803.3100	31414362.2900	2505270.6000	2473585.9710	2300851.9430	2403145.0860	31215563.0900	33667671.2000	12645838.2300	20426542.1100	25285601.4000	25984741.8600	72023370.4000	74118037.2600	30099116.5700	30309204.5100	18586329.3100	16652525.3700	36399737.3700	45800252.8000	10214397.7255	10540580.8190	11176100.1820	1344697.3119	1634721.1712	1293372.3343	63261137.9250	51926647.1000	62209774.6200	79257984.8900	79285347.8000	74699159.4800	81006312.5800	79044759.6200	82577777.3550	79184095.5700	76692447.5400	76478798.5250	77023114.6450	79830150.5200	81037611.2250	80094086.7700	81640559.0700	76316826.5400	3280786.0875	3322988.2520	3227246.5405	9233834.5665	9393737.9475	10351487.2645	37801251.8900	42333641.3700	40311324.2300	42303428.1100	60238373.6000	63585617.9400	35852975.4300	34055076.1100	66638035.6600	65749299.6600	41242527.0900	47494250.5100	28889219.0900	33707268.8000	68662101.0300	80715553.3700	49593061.3700	5872957.7710	44128056.9100	47558018.8600	119057671.8000	21016481.3700	88890489.6000	93119482.0600	20107815.3100	19221456.9100	34380659.7700	31938104.0600	44309376.0000	46646663.3100	77974476.3400	68632178.7400	12308349.9400	9710140.0000	7351508.2860	8107320.0570	30866817.9100	41124706.9700	6127432.6290	6380541.8290	52987861.3700	50360731.0900	11305338.9700	12584914.7400	15027100.6300	20040511.6000	47315630.4000	51559574.8600	44496027.0900	44616911.4300	39742516.8000	37870803.2000	48718981.1400	48619583.6600	65610102.0300	64751840.5100	3169845.0860	3335164.5430	4102085.8860	3682542.8000	31043900.6900	30212875.4300	2796559.6570	3281971.2290	20898672.0000	21884973.0000	54359106.4600	54682053.1400	41798851.5400	37296475.9400	39267451.0300	37947818.5700	30403139.2000	31398588.8000	52945003.5400	49217541.2600	20691492.1100	23503389.4300	36975630.2300	49037359.4300	20895060.0300	21239633.2400	20447522.5590	1400640.7711	1685086.1512	1588999.4958	42027184.2950	32388154.0670	39117127.8960	37721165.2600	39312345.4560	39823234.5800	37275862.5560	36562319.3850	41560631.1600	44378912.9400	41419540.7050	41947561.0350	43098711.0595	41328258.6500	42294357.5700
glucoheptonic acid	7462593.6390	6917856.2940	7094014.5880	6909905.5640	7427096.5590	7160910.0230	6847950.3450	6327190.2500	7901263.6580	6424694.7000	7879575.7870	5958598.1890	7241597.7390	6720672.3700	5670422.3080	14587206.9200	15049927.6600	14074114.8900	14965995.3600	12889814.2100	15213465.4100	7049696.0000	10333056.5000	10719506.0200	14439007.7300	15272459.6300	16704471.1800	13811764.9800	13419007.1200	12001548.8400	7269026.7800	7475632.0140	6694965.7240	6411305.5660	6577425.2960	6681357.1300	4995782.7330	6793837.4260	6042883.5580	7017168.5020	7586689.3470	5951237.8300	7704999.2070	7596005.7970	7503426.6010
gluconic acid	13610551.2380	9554002.2525	13675044.9085	23945775.9400	21461104.5600	22284904.6900	25340951.9600	23602201.1100	23345556.5900	22895724.0600	21660767.8100	23685050.6800	19733020.8000	23035017.5900	23308871.1400	24189730.5700	19740026.1900	17673380.1400	831862.7666	1006355.8440	898898.7425	3048235.1010	2140936.9490	3193115.0675	10118230.0600	9031356.6860	4581220.0000	3228598.0000	9844074.5140	10300476.9700	7075578.9140	6068662.8000	14062818.7400	13317966.1700	15114983.0000	15380513.3700	7532818.7710	6832722.2000	17267407.0000	15975005.2000	3653085.0000	3855513.4860	3315668.9140	5938520.8000	10758126.1700	9682372.3140	26345874.0600	19437139.5400	11526398.9100	12335527.3700	30274155.0900	30908073.8300	5309625.7140	7128246.6000	13897762.4000	15039590.0600	2529608.7430	3023819.2860	1458681.2860	1637296.3430	6670814.8570	6878942.0570	1772768.7710	1774047.0860	11113557.4900	10579034.7400	34950171.8300	38316306.9700	4312539.1710	6088811.8290	7446647.8860	6591809.6000	6728522.9430	7562719.1140	3044592.0000	3425643.2000	8692493.3710	6346032.7430	10594545.2000	7385521.3140	3653414.1140	3400804.1710	14864769.4000	16800626.4600	8704450.9140	8546185.0290	865488.1429	944318.2571	7772792.4290	8064867.6000	11333473.4900	12221483.3100	2921666.0000	3705710.5140	7530440.8570	7667097.9430	40427827.3700	42648922.5100	9920159.4860	9991215.2290	7165998.0570	6396835.8290	8950212.0290	11304333.6300	5024033.7925	5645928.0505	5067071.5375	639847.5082	579540.8344	410730.9029	15753923.1500	15859375.9900	17057250.9700	37883327.3600	38119140.0000	34505920.4000	37035393.9900	34781526.6800	37236061.3900	33236498.4400	32094316.6400	33684615.2000	37837383.5700	38459245.0400	38236679.8100	34324688.4800	33743676.6500	32237403.8000	1316939.2075	1466946.2459	1267427.6728	3319803.1785	3442573.3500	3566784.7205	8362895.3710	9322497.9430	5808983.7430	6152966.5430	17691889.0900	18823600.1100	10456583.2000	9836747.3140	18296595.5400	16135398.9700	11928691.6600	13551930.2900	6622867.5430	7579385.4570	18106475.0300	22331419.2600	5915676.5140	8777338.2000	7740478.6290	8380978.1710	15847958.9700	15425901.9400	20997665.4300	23007650.8600	29333010.2900	26478644.5700	44902226.5100	41168133.4900	8441530.2570	8932421.8570	23421172.8600	20445334.5100	2583965.5140	2061662.9430	1779219.4290	1947292.6570	6544061.3140	8434970.4000	1591750.5430	1658837.3430	16317031.6000	15472870.5700	27060058.8600	35413598.8600	4925763.9710	6568607.3140	10815122.0600	11710795.0900	10773300.4000	10734995.8900	8153487.4860	6512415.8290	11389447.3700	11473681.2600	16767739.2000	16477512.9100	14707312.2900	4263676.9430	19762417.7700	17862703.7100	9263754.4290	9160432.8860	1085727.2570	1261792.5430	8420817.7140	8800885.9430	18688148.8000	18893595.0900	9103330.8570	8073361.3710	11993985.0900	11747453.6000	19866244.1700	16549070.6300	17361710.2300	15879236.8600	7165417.0000	7895871.4290	9701469.0290	13083058.9700	7128279.8500	6971515.4350	7460428.5450	700838.7118	808732.5435	772312.0378	27051289.1300	20364036.2700	25246264.5900	21663762.2200	22529417.2300	22535569.1500	23886485.8700	22939167.8400	24324496.5500	25779232.7300	22939392.1900	23143290.2900	22480090.9200	23733051.0700	23063625.4300
glucosylglycerol	926418.7369	894550.4321	1831037.7830	31268933.3600	31274779.4200	30563962.4000	35453875.8900	32788337.7900	33774696.3200	31706707.5700	31272324.2600	33228435.1100	29399551.2300	31935356.6400	32094045.1800	30975685.3200	29427052.7300	28128280.2000	4573218.6910	4886952.6910	9035282.0640	9670607.1860	10168658.2100	18356838.8200	13418849.7400	18405206.6400	825594.0158	2203273.8910	1971579.1630	4781069.9270				43325167.0100	41854965.9400	40522504.3400	42811751.0900	41335748.2600	43886026.5700	40416430.4200	38655575.5300	39094553.9400	41610038.9200	44087328.6700	43931262.9200	41442264.4600	39799199.8900	38618732.4600	4796391.9570	4763282.7430	9496592.4070	9218643.6840	9649498.4940	20278309.8400	20323821.7500	21664292.1000		1862942.0740	1863496.7080	4423095.9000	34014249.1400	30165413.3300	31658677.6900	27842517.8900	29144019.5200	29078645.6100	31221929.9700	29753512.2100	29813435.5500	31956624.7800	30218590.2800	30872732.2800	33349347.9900	29836300.8200	32670678.5200
glyceric acid	14270085.9200	15296672.1200	22650568.9200	24751264.3500	53300756.4300	82375268.0900	50807084.8400	14046639.8100	64749535.7200	37177155.0000	52982526.0600	71578056.0000	45882607.4300	60090563.2700	58842715.7100	32100616.7500	61632871.2500	57091059.9300	135356.1338	132905.8842	114048.3882	338883.9432	348616.2796	6588936.4110	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	166662.6571	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	101852.9714	103585.8571	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	13087257.0300	1028160.9760	11933216.5500	67596.3490	81066.2517	73404.7391	2035769.4600	2203494.6540	2350816.6360	11351998.0100	10861071.2000	12804093.6900	14148943.4500	14325221.2900	11556364.8100	13429384.3300	13793823.2600	13171571.7800	11017357.5500	11464250.4300	10619523.2500	14419697.6500	14578749.1900	13875700.4300	170173.1691	183333.8708	175100.9890	447897.2407	499152.4033	471971.7725	745665.0286	855463.6000	1025014.3140	1087115.4860	0.0000	0.0000	1843290.2290	1843802.1140	1907939.8570	1824441.7710	2360366.3430	2747899.9430	687895.0286	833248.6000	1254039.4860	1564561.2000	1499867.0860	1357728.9140	1094823.6290	1122001.7140	3454843.9430	3451100.2290	3733286.4290	4204874.5710	27005756.6900	25782350.0300	3481250.1710	3358950.1710	1519183.7710	1598122.2290	1936179.4570	1602486.8000	370687.2857	289599.8286	449867.4286	510585.5143	1271632.6000	1694782.7430	465039.4857	468580.0571	0.0000	0.0000	1884479.9140	2085387.6000	496006.7714	695526.8571	1520222.0860	1699217.4290	909697.2571	935290.1143	865981.9429	800339.9429	763438.2857	0.0000	0.0000	0.0000	1611148.5140	1616399.8570	1354656.5140	1094361.9430	1043684.1710	1014038.9710	129226.4000	148741.5714	742847.8000	806524.5714	0.0000	0.0000	0.0000	0.0000	1688207.4290	1672215.9140	0.0000	2945198.9710	0.0000	1719366.1140	915136.9143	1050688.6290	0.0000	0.0000	1061844.5630	1034555.4660	1081756.0520	85789.1744	95845.0869	117895.4458	18261303.7300	64575964.9200	10779666.0800	42792912.0000	47987521.4900	12414597.2100	54695587.5100	14590362.8400	57338720.0000	118182528.0000	46337354.1300	48895226.4600	98115355.5200	81096704.0000	48418868.7100
glycerol	9113981.3600	36294187.8200	43565563.9600	35679526.0500	26745839.7200	34894710.6900	13140397.0100	36806246.7900	29228075.6700	35194665.2700	42784332.8200	32306242.2300	27693047.4100	27133278.6700	28859086.0500	46735794.8200	36713760.1500	39235620.6200	50429481.1900	30165816.3500	43488185.5800	62730106.2500	58637460.6100	60159252.6400	67877973.7200	63205800.2300	2939473.0580	39379857.2100	49518772.6900	53720334.0100	40281568.7200	59359628.2000	28568603.4500	8680387.5750	65700482.2500	72973949.7000	11569098.6800	25650751.7400	15497459.3900	25334500.4100	19811163.6800	13693617.7900	41878354.7500	15782070.4500	37104094.4500
glycerol-3-phosphate	7261295.7580	5640004.7550	7780352.6220	14993935.2700	18385602.4900	14144656.8400	17801160.0800	17479868.1200	14582003.1000	16324677.2800	14485720.7900	15852701.6900	14275429.6000	14513812.3400	17815122.6200	15679020.2400	13422442.8400	12770227.3200	708092.9482	777931.1866	647553.4714	2208530.1200	2076234.3750	2214794.0130	4875677.0570	4489540.6000	5996110.6290	6491614.5430	7199839.5140	7985336.4000	5555022.7430	4832176.5710	4748774.6290	5083464.4860	6796354.5140	6766551.5710	4502432.0000	4027422.0290	5547107.5140	8921754.0570	3907738.8860	4167101.9430	5239503.0290	5985137.4860	6369967.1430	5058485.9140	53914788.8600	39784709.8900	8963416.6570	9392231.6570	8113820.1430	7143505.5710	4445701.6290	4863490.9140	3839288.3430	3914320.0290	1772298.8290	2086806.4000	930502.2571	1227663.0860	5291057.5140	5351155.9710	888593.6857	883738.7143	9936011.0000	9581157.8570	6287051.6000	6917919.1430	3247266.9710	4813643.6570	4995515.8000	4504957.7430	11336225.5100	11025535.6900	3241392.7430	3299762.9430	8797388.5430	7275326.8290	5345582.8290	3759555.8860	6887625.4860	6889680.7430	5170358.0570	5827106.4570	7997906.4860	7841791.1430	935794.4571	912131.3714	3896415.5430	3908932.5430	4469362.5430	4862653.8000	2870986.3140	4548689.9430	7822538.0570	8059636.8290	1109986.3140	214509.6000	7360339.2860	7373002.2860	6151332.4000	5259773.2290	5710589.0000	7439307.1710	4061174.5050	4314821.7480	4503999.5640	407416.4524	449521.0684	411398.8343	8177952.9120	8211005.5560	9259109.8880	31471642.4100	45775756.8300	29183387.9500	26532429.3700	28338532.3300	14028253.9300	28723099.2800	26805267.9000	26429695.9800	43767416.8100	36183021.2900	22303704.3500	25794502.0300	28336237.7000	28151619.3300	610760.4598	591344.6718	830135.2212	2175469.2560	2308600.6570	2486174.0840	3985574.6860	4472133.5430	7094336.6570	7375220.8860	12014272.5400	13139898.3400	6703284.3140	6302898.6860	5393485.6860	5178839.4860	6145509.9140	7302539.7710	3458338.3710	3981724.8570	6236374.8290	7325971.3140	5615808.6000	5214707.7140	6795726.5710	7002968.6000	7395212.8860	7358212.6860	45089200.2600	49520608.3700	16833856.3400	16953900.2600	10808315.0600	10423493.9100	4505185.7710	4726159.4000	5715722.2860	5124046.5710	1520564.5710	1252946.7710	993016.8286	1108104.3140	4118119.3430	5159051.8290	739923.4857	633627.1429	12914587.1700	12392890.0000	5757986.0570	6460690.8570	3559315.8570	4938861.0000	6341342.6570	6730728.0290	12900798.1100	13125713.3700	3870649.3430	3802133.7710	9830608.9710	9639544.4860	6356479.6570	6167956.2290	7297986.7710	7373683.0860	6409225.3710	5843020.7430	7515714.4860	7095289.7140	947806.0000	1094726.3430	4177326.7710	4326433.7140	7322807.2570	7112008.2290	7659521.7140	7023952.6290	11251478.4900	11045592.9400	9942591.7140	10126771.1100	11858116.2000	10837156.1700	5707494.3710	6402913.8000	5420781.2570	7623754.1140	4640692.6260	4467968.1610	4706253.7760	282480.5147	298205.2138	290012.5435	14769943.9200	13291965.5000	13400228.0200	10766769.6300	12809232.6400	13667465.6100	17540967.4400	16543413.3000	13885121.8900	14186129.8100	15684385.2600	14637399.6500	15863721.0700	18097117.0400	15290599.0100
glycine	116204677.7450	101013180.1950	111277378.2950	91885964.0000	50793722.0000	42067657.0000	39220576.0000	80350917.0000	44298353.0000	79760243.0000	53720556.0000	79769331.0000	54632510.0000	60413139.0000	46583612.0000	81735354.0000	40393399.0000	30869464.0000	9216231.6360	8478970.8180	8070882.9370	63177393.2765	42548909.4145	59001872.9180	74116957.0570	55275116.0000	82771612.0000	12428548.5700	103650830.3000	120140478.9355	47000172.4550	12892006.2850	84364394.2645	102516754.3000	33400698.5150	72118820.5500	76673620.0000	115018219.9000	117027795.6070	64169350.1500	74745887.5500	72198200.7000	53032515.4500	32591667.2000	185584457.7000	213227292.9000	62982426.7500	51990048.6215	80233224.1000	46769192.0000	48463099.6550	49677748.1150	69623457.7000	69508648.2500	73338261.7000	57428531.2000	81616541.5000	62004092.1930	5531983.9157	15626175.1450	46815812.0000	53606333.1500	45175116.2300	39757477.9450	80507915.2570	88096862.1500	5759176.4550	83105675.9000	97906087.7500	101420238.7500	93832475.9000	93863609.5570	73845663.1000	51369392.4500	78824391.1785	3742006.8570	66578511.1000	109932552.9070	77641060.0000	76738144.2285	61340673.8500	80451476.1000	78366405.5000	9056834.2550	105634833.9500	90507995.9000	3940291.7285	4068029.7144	75349944.0000	53755961.2500	106207665.8643	94045847.7500	2576741.1427	61419076.0000	66090854.8500	70462204.3500	91654464.0000	73821962.6430	72762121.1500	71608516.3500	34694904.0000	44436059.6550	84470756.9285	91096306.9500	88858484.4290	78479201.3140	97303443.0650	4208171.4717	4858414.6955	4280313.8301	47511862.9210	51629975.4785	49096028.3720	96897890.0000	72787673.0000	88903283.0000	84439218.0000	68328564.0000	69331222.0000	75861994.0000	59469755.0000	61006321.0000	84022734.0000	80872477.0000	176465892.0000	74750470.0000	67913310.0000	64927494.0000	8151001.7970	8109226.7659	7812583.2144	17447003.7323	18695947.7805	19236010.5330	33395036.5000	36784306.5000	52924116.4500	55043734.6500	72438872.0000	16038985.3130	37652771.7700	37027389.4550	44512165.9150	43366324.4000	33975838.5000	38513424.5150	37898507.0000	42581921.5700	34835176.1550	745103.2145	43065784.0000	45527169.4700	41979676.5000	430301.3857	77306416.9000	59153296.0000	27477952.8000	31617984.0580	4980017.6570	34446171.5000	54971836.6855	50088208.8715	26684524.4700	28163096.9150	35807851.8700	31986555.5000	15270820.5550	12965794.8300	5887000.3264	6663111.0143	47500753.5000	51381185.3500	11626917.3715	11648933.5835	10941494.6000	31406704.5000	53266508.8145	54577906.9500	42381340.6000	48011928.7550	38715449.5585	41278608.5420	34676263.8850	30997726.7000	16833090.9300	17562076.5150	51847320.2500	51289389.9500	53185242.0000	21955073.5000	27095922.4850	27230084.7450	38547229.5000	39971334.8700	31400010.8730	30059027.7165	4799759.6572	5493587.4425	18759605.2450	21113953.2850	91292600.0000	85383865.6000	69331570.0500	59773982.6500	23074101.9850	21302244.4700	29807659.1285	32584461.5855	81656810.4430	99040598.6145	251690.1000	287135.3000	52227440.4500	74895821.5000	31968164.3960	31876485.8005	32820382.1555	3792198.7872	4440463.1463	4280724.8864	88408248.0000	41362543.0000	89580477.0000	62319717.0000	66370186.0000	77850824.0000	68629370.0000	70486920.0000	88996331.0000	83697437.0000	74344110.0000	74280806.0000	38619737.0000	76169457.0000	35646219.0000
glycolic acid	7691255.7580	6202761.9200	7366522.6800	20065560.0000	17415839.0000	18027346.0000	20789007.0000	22839697.0000	18895885.0000	20348954.0000	17029923.0000	22261890.0000	18116923.0000	16991767.0000	16086379.0000	20794384.0000	15222452.0000	15535253.0000	894310.0766	1004479.4910	779291.8611	1671825.6770	1946063.9760	1617726.1230	17281141.0900	15595530.7100	15433237.6600	17306913.0600	16666733.7100	20054594.1700	12714190.9400	10800081.5100	5853796.1710	6529681.6570	12211063.4300	14829548.6600	10322559.7400	8781512.7140	4266507.0570	4081572.2570	5890416.1430	6071264.9710	7173096.8000	8944878.6290	16840382.2000	16814687.3400	9399347.8860	6981714.4000	6316751.6000	5109135.5710	12626782.9700	13466014.5700	3252322.2290	3426682.4860	20551222.1400	23960684.3100	3113433.6860	3834148.9710	767095.4286	926934.7143	7417422.8290	7609385.1140	2732275.6860	2716555.8570	8248664.8860	11170356.7100	12598970.3400	14158560.4900	8092072.7710	11411941.6600	9301411.0570	8067557.2860	11020361.6000	10927986.9100	3898344.3430	4112677.0860	9161657.3710	7074072.4290	15538396.0600	10688602.1100	5735372.0860	6120909.6570	5215508.5710	5402456.8000	11760398.5100	12330708.1400	1488150.6000	1454317.5140	6257745.1140	6651583.2000	13275076.8000	15312778.4000	3851757.4570	6357300.4570	10626122.0000	11245655.0000	10618163.9400	11306652.8600	12873102.9100	13275992.6300	18995511.9700	17373490.9700	8559650.8860	9425135.4290	3727120.0210	3522335.3760	3682735.8170	349189.5147	447016.1794	397741.2795	10800744.4600	11701858.3600	12455072.8700	29639355.0000	30595855.0000	29372943.0000	23992995.0000	26409640.0000	27208253.0000	25568426.0000	25748453.0000	25883035.0000	31071975.0000	28643956.0000	34246839.0000	26411070.0000	24032435.0000	26292553.0000	1234438.0880	1186999.5920	1209799.4770	2947733.8270	3084758.0550	2967185.5110	15072905.2900	17104182.2600	18234669.9400	19565451.8000	25335896.9700	24943339.8000	16192717.9400	16186281.8000	7899568.4860	7508127.8860	13646564.9700	15807332.9400	8165050.8860	9995410.6570	4959551.6570	6316146.6290	8786841.7140	7903789.1140	10673537.8000	11822515.5700	25493183.3100	25977356.4000	7847308.1710	9238712.1140	12595208.2900	10950523.5400	18197100.4900	16209589.4300	3683281.5140	4042942.9140	31856496.8000	26725152.9400	3071205.8860	2506453.6000	808392.3429	954013.0571	6305089.9430	8562089.9710	2544890.5140	2627672.1140	15804923.3700	13813302.2900	13386897.7100	14485420.2900	9339090.5430	12083862.3400	12395622.8600	13914760.7400	14575291.0300	14330064.2900	6136222.7140	5855279.2570	10640507.9100	10818094.1100	17938819.8300	18393145.1700	7050233.2290	6606847.6860	7395938.9710	6237356.5710	12023839.2000	11605507.4900	1553102.6570	1796523.6570	6815759.8290	7608120.8570	19335866.6300	19755588.6300	11200432.7400	10351429.8900	15133894.1100	15132904.4600	15388688.6600	15734970.6900	19420826.5700	16990412.2600	18131378.3400	18990339.1700	6718659.4000	9888019.9140	5777075.1350	5834201.3900	5791190.1380	616669.3427	670906.3710	668996.8686	23504351.0000	16878004.0000	22355400.0000	16802382.0000	15666601.0000	16446064.0000	14944337.0000	16478315.0000	17964308.0000	21552738.0000	18910487.0000	18664968.0000	17037947.0000	16584462.0000	16750432.0000
hippuric acid 1	47132544.9800	36991733.9200	45397263.1550	121694137.2500	130137006.8500	114059993.4000	138322366.4000	142887149.0000	139515118.0000	129668028.9500	133490396.1000	138417692.3500	122705821.6000	122819240.8000	128453052.8500	118691859.3500	122132047.2000	124533112.8000	3919300.3210	4536048.9425	3600618.0165	11026525.8350	10446988.7700	10760051.2650	65517515.4300	55511200.4600	104520928.0000	120606633.1000	132088054.4000	120296956.8000	104231032.7000	84605978.5100	57626024.2300	66643144.2300	108550861.3000	118104012.8000	75162352.6900	64237831.5400	122027243.9000	285365899.0000	94621811.6600	99905888.6900	29192304.9700	38351362.2300	38329194.0600	25887747.6600	74306788.5700	33738368.0000	67670969.8300	74391098.5100	103325401.1000	108569840.5000	120285786.1000	132504643.2000	123376364.8000	142160400.0000	10401751.0000	12895373.0300	26955513.0900	39599464.9700	101203883.4000	108623788.6000	35287341.0600	34865367.2900	78333613.2600	74816743.5400	152247097.4000	167952671.5000	39398896.7400	56777442.5100	84621736.6900	67299449.8900	39601119.0900	39846829.5400	12041140.0300	13529647.5700	29330732.3400	21061186.9400	30458846.7700	19076299.4300	17011724.5700	18009954.3700	11852177.8900	12707287.0600	23304856.8900	24590407.5400	2261077.5710	2147377.2290	12382448.6300	12753523.2000	36201147.2900	40823014.5100	29690035.8300	53361719.7400	14648335.2000	15437473.6300	161049342.9000	174253175.3000	66867977.5400	69577315.5400	30093296.0000	25946260.9400	31874491.6900	40545311.0300	24084590.4300	22932933.5250	24493012.9400	2125754.7940	2322269.6110	1974682.1045	43618017.8250	48281134.9750	48899723.2550	103916032.7750	87085324.2000	88449976.1750	96167777.2300	95640915.5000	111044973.3650	91973796.9900	92193076.3850	88804815.0800	91791715.8850	97463382.2500	100682159.5450	106225774.2350	95679388.9250	91381823.1050	3776488.9995	3784196.5025	4046873.8495	10430045.0450	11832214.2000	11070565.7200	18679726.5100	22106177.8900	58728662.6900	59861518.6300	172427367.3000	167715006.6000	25434587.0900	22782648.2300	23930190.6300	22996149.0300	32208874.0600	33609737.1400	26618156.0600	31199992.6600	127073707.9000	180344210.3000	31333836.9700	41307133.5100	13859073.2600	15362568.9400	41601814.8600	73605807.5400	112907251.2000	130911987.2000	34363420.8000	42565040.4600	97725726.6300	68464241.1400	51842827.6300	55514973.6300	55944060.3400	32822391.3100	9110360.6860	7009941.5710	20581798.7400	22350444.6300	43522764.8000	50826386.2900	14166599.5100	14776197.6900	99413367.7700	88136320.7700	73109498.5100	68956142.6300	21492723.7700	27028693.4900	103308956.6000	116152507.4000	23137855.0000	24938556.3400	11668053.0000	10940836.2300	21313070.0600	20566766.8000	24247102.7700	22571601.2300	15039159.5700	14161222.5400	11454787.8300	10757265.3400	18648621.6900	17321577.3400	2884181.8290	3606792.8570	12057457.8300	12298942.4600	55630217.6600	55423059.5400	103721992.5000	90716558.1700	18877564.9700	20811394.0300	51648146.2900	89390509.2600	103953063.8000	91373321.8300	26099278.5700	28804332.1700	25043439.4000	36101151.2000	26487716.7050	26142656.4100	26583106.1550	1573030.0440	1707475.1365	1681862.6320	128571569.0500	116387037.5500	117798043.7500	109383125.8000	117095118.9000	116592061.2500	114321885.1500	116346121.4000	111010731.9000	118441190.0500	123222587.2000	122659074.2500	128448888.8500	119033621.4000	122953337.6500
hypoxanthine	6888005.6440	5667393.9560	6349002.3520	13556635.0000	13139021.0000	15546668.0000	11220152.0000	12521587.0000	13382173.0000	16063829.0000	13140429.0000	16922447.0000	11858778.0000	13778198.0000	17396572.0000	12652908.0000	15024540.0000	11718978.0000	779104.9693	813248.5394	654862.2211	1833746.6700	1696101.2730	1787767.9440	4226565.4290	3429411.8860	1448424.0570	1592254.5710	2075447.6000	2275965.8290	1491900.6290	1281563.8290	4997378.2570	5710984.8000	2120871.3140	2290467.6290	2328225.9710	2003681.5710	9218448.8570	8051703.9430	7439665.8860	7817300.6860	2245914.2290	2771568.0860	2663896.1710	2310372.1140	116366127.0000	84241032.6900	0.0000	70320.0000	6611527.2570	7210652.5140	1243061.0570	1471410.0860	3198536.5430	3801508.7710	1797000.2000	2444709.9140	495711.1143	574602.2286	1855082.3140	2219258.1140	1532125.9140	1598838.5710	8854620.7710	8498007.3140	14238555.5100	15879973.8900	1036862.3140	1666352.5140	1630357.2000	1417347.7710	3984803.0570	4366827.8570	2439934.3430	2489749.8570	2694219.8860	2315649.4860	5709414.6860	3268609.7430	1374045.8000	1378923.0290	4139227.1430	4823652.8570	2953468.3140	2758128.2290	303905.2571	247299.4000	2145289.7710	2457970.1430	3518062.4000	4166802.5140	764755.2286	1158153.7140	2275061.8570	2447027.6570	7051785.5430	8008033.6570	4444497.5140	4630877.7430	953098.5143	645632.6571	1558703.6570	2053142.2860	3726822.8340	3597589.1050	3788573.6950	423294.3939	493339.0335	414054.1659	4312752.6750	4893100.2470	4930883.9980	37034117.0000	35629035.0000	35064271.0000	31799021.0000	29810213.0000	29028685.0000	31793790.0000	28617068.0000	30574212.0000	33419846.0000	34302639.0000	39108215.0000	30036568.0000	27912241.0000	27341539.0000	168253.5853	168577.2736	314649.6938	671091.7714	851706.9456	778339.5494	2240164.2290	2441618.0000	4267719.9430	4367215.5140	3425233.0860	3553264.3710	1003417.0290	0.0000	4312608.4860	0.0000	1033480.0000	1501801.1430	1337386.2860	1659966.9710	24014469.6000	21750505.0900	14442797.0300	12610806.0900	0.0000	0.0000	13616708.5400	13110129.9400	96751070.1400	110702445.1000	4053077.8290	5012347.2570	4666946.5140	0.0000	4217618.2860	4747739.2570	9911961.7140	8307251.4000	1727454.2860	1242521.3140	0.0000	8730.8286	17493870.2300	22578410.4600	0.0000	0.0000	9585264.0000	9005957.0290	9071137.1710	5338587.0290	0.0000	1392403.1140	1864639.6570	2103321.8000	3450947.6570	4756215.6860	3056412.8000	2827839.2570	2402142.8000	2390545.9430	5627802.0000	5174041.3710	1450104.8570	1270562.0570	4933958.4000	4471704.0000	1883568.3710	2173472.8290	305327.1714	285861.7143	2151691.2000	2225654.0570	5295882.3710	5079709.4290	1867319.6000	1770407.6290	3025354.7710	3014149.8290	13808790.2000	14090098.5700	6215537.8290	5591996.0570	716628.0286	567453.3714	1336611.3140	2088128.4000	2145900.5990	2124617.0490	2164855.6490	322698.8317	290167.0610	301658.2272	18389813.0000	12760851.0000	14216002.0000	15467091.0000	17177283.0000	17283769.0000	15225224.0000	17926323.0000	14189428.0000	14463224.0000	15799826.0000	12361692.0000	15419813.0000	17479506.0000	18442832.0000
inositol	18660065.8000	14193274.5850	18906394.0850	30172495.6600	29041446.6100	30428972.1900	34283129.2800	29323043.2700	31917694.7400	29521532.2100	29149872.0800	30960154.5800	26924774.1800	31215042.0200	31462109.2900	30304683.0800	27795274.7800	26037004.9600	900078.7163	955751.0581	2061552.4955	4876318.7370	4622078.8285	5105108.5855	8017175.4140	7244808.7430	10505887.3720	11361355.0870	15936765.0300	16546281.7850	11161083.3730	9671352.7595	22253592.8900	23955575.4000	20479731.5400	20851101.1000	10025184.2585	9124339.8415	15821528.5250	14677685.7300	10892727.5865	11417830.5565	9150556.5405	10350109.5000	14194565.3450	13108783.1850	30458477.5700	23174992.5130	17685513.4300	18486786.6550	41809765.0000	42187640.1150	9790407.9555	10710541.9400	16642697.6250	18184358.9600	4321559.0285	5096176.5855	1670202.4860	1892035.8000	15772938.0850	16461212.5600	6422646.0430	6314045.0860	13912069.5550	13269795.4150	23559610.9700	25873843.6300	7262055.8430	10202896.1850	6416364.0000	5702314.0000	12645659.0715	12168188.5445	4732097.8715	5114201.7570	11544527.1005	9637298.5450	13504582.3000	9452519.6595	10452506.9305	10664812.5700	6177583.1000	6937930.7570	16771312.2715	16446454.7700	1990651.5425	1964546.0855	7990094.8145	8279897.6150	16735797.1300	18128715.2250	4007746.2855	6498330.6000	9508465.1430	8348423.5300	13519452.5400	14202340.2600	12637646.2850	12920996.8850	20110232.0600	18213660.2000	12861701.2450	16170596.1750	9423106.7030	9842182.3805	10451454.3455	490579.5174	1278894.9465	979190.6198	19820474.2450	20059686.1000	21196426.5750	40234616.7800	39509491.8700	36784805.1900	38805311.8400	36564307.5600	39738572.5600	36449088.6000	35053510.1800	36389216.7500	39557522.1900	40749946.0300	39958846.8400	37300200.7900	34901138.2700	33286978.5500	807752.6600	1882670.0705	823939.4818	4107119.6235	4577131.1405	4575571.8650	6573192.4570	7227224.8290	11179954.2305	11694157.3450	22214477.8150	23783337.9550	12854497.1735	12252042.5835	25625117.7550	25206791.3850	18934039.0400	21536029.1150	7408989.9145	8577000.6710	16237552.8100	19929438.7550	15312630.9700	13915577.0700	11136352.6980	11963591.7405	15629854.2550	15347605.3300	25567023.1420	27600424.3705	36215970.9700	33453554.7300	52530126.1750	48734959.5700	9593039.8290	10234204.8700	22666373.2300	19782552.7600	3960478.7710	3129557.6855	1654588.7570	1807253.9000	12421239.0550	16102445.1150	5431730.7430	5629376.1145	16941041.9250	16164834.2400	21703411.4850	23969175.6700	7312654.9140	9726527.9985	7931961.2575	8646787.6855	13971270.4145	14010421.5585	6177192.1430	5951170.5285	12628355.2845	11810285.5450	15551665.5150	15262230.6750	11016829.2570	11352575.6845	7814269.0425	7081721.9860	15368792.0285	15059301.6270	1921873.0570	2233873.7430	8015161.9145	8296484.5135	23467317.0000	23769707.2550	10772774.5155	9679386.8730	12526694.9300	12128997.1450	17547448.8100	18186408.2700	18819510.9000	17456113.0150	18815207.9700	21022025.4600	11405597.6870	15237403.7850	9051440.6330	8753413.5880	9137782.0645	611164.1732	918382.8376	674441.1435	34783409.2000	30025326.9000	31925865.9400	27215670.0600	29431469.0600	29366489.2500	30517002.9300	29124742.4300	30323570.3900	32707241.9300	28417130.9000	29099149.5500	31252139.2700	28995787.8200	31741901.1500
isohydroxybutyric acid	9671064.0000	9936428.0000	10720450.0000	12950462.0000	11219523.0000	12102957.0000	9447424.0000	10067429.0000	10563528.0000	8035168.0000	10634489.0000	10122714.0000	10865506.0000	10148798.0000	9661375.0000	16334470.0000	15680767.0000	14816328.0000	15121682.0000	14371320.0000	15805326.0000	13953751.0000	13874786.0000	13957494.0000	15971798.0000	15288660.0000	17891035.0000	14499829.0000	14521845.0000	14034571.0000	9702746.0000	8588433.0000	9347956.0000	8487843.0000	8856056.0000	8852796.0000	7425844.0000	6905490.0000	7813752.0000	10528200.0000	8800830.0000	8668393.0000	10389881.0000	7853530.0000	10079497.0000
lactobionic acid	18520071.9900	18517120.0200	17615903.6400	21490751.1500	18999297.1300	19722365.1500	18888636.3300	18355291.3800	19989150.1900	17134372.3400	18618504.5900	19036002.7300	17765066.8100	17724127.1100	16864800.5200	26092295.5200	29662528.5900	22729384.0600	26521742.3200	25581387.4900	27682857.2500	24819386.2500	23676182.0800	24103594.5000	28722305.2600	28086477.3000	26613648.0500	24351297.3300	23016162.5300	23271116.3900	20147851.4400	17089451.0500	18678060.6800	16730278.3300	17644239.5500	17854935.9100	19202919.5100	18128532.1100	17723118.8000	19071695.0100	17984416.3300	18193147.7000	19609060.4800	18111347.9500	20077903.0800
lactose 1	10906104.2690	7087490.8440	11399712.1080	20409192.0350	20824937.2210	19373951.4365	24472833.9055	21965259.1195	23061028.0840	20310993.9245	21480804.4550	22097036.0460	18543149.8685	20570932.8950	20653972.1000	21444352.3965	19571743.7335	19112964.0335	1015741.9810	1176122.4290	1134353.3269	2465837.8162	2329342.9824	2547421.6828	12144970.7400	10841620.8000	7059978.1430	7691576.7710	6533261.8860	6957817.4860	5518441.2000	4731927.8860	9892463.0860	10633506.9700	6303551.3140	6084221.7140	12934373.6900	12098576.5100	14149046.4000	18056838.8600	9804276.4570	10196771.4900	24658213.6000	29341906.1400	18174435.8900	16953031.0900	37675589.7100	30241586.2900	34251673.8300	36215506.0600	20943486.1700	21407760.0000	7445138.3140	7991880.1710	7759962.5140	8556281.1430	2186706.9710	2458759.2860	904100.9143	1375548.8290	7216607.3710	7484391.2570	102999524.4000	103040213.9000	14216674.9700	13594073.8300	6213425.0570	6692756.6570	3533752.1430	5289083.3140	7187517.6000	6235068.1710	11316600.0000	11056224.0000	3929729.7140	4362772.5140	19476016.0000	15851555.9100	134724442.7000	108442007.3000	4210810.8290	4340150.2570	4547733.9430	6182626.5140	6734603.7430	6622929.4000	922810.2000	955851.2286	5266671.3140	5593475.8860	7429645.8570	8118034.8860	2163840.7430	3327318.8290	7500077.2570	7464186.2860	9169502.4000	9559156.5710	4285145.0000	5782548.6290	4793762.1710	4490257.9140	6632116.6570	8483796.8000	4915990.0910	5754499.6755	5736495.5760	692961.3080	765871.4019	544696.7423	73066056.9050	72829043.7000	71477553.6100	115361729.8850	115221237.9600	108695837.8350	117594279.7650	112879859.6500	118901555.5100	112157172.8100	110311598.7250	112638177.0500	115341487.0100	117938416.0500	119617326.4900	109880341.3550	107512981.0900	104886643.8600	49789556.7650	58181483.7800	52898763.5150	53162906.6250	57508832.9950	61860150.2850	102561785.6000	106633155.0000	97297515.4900	98836988.9700	82760922.5100	88383318.8600	104128252.8000	100215488.2000	110461699.0000	108442381.9000	93404503.7700	102204902.2000	93893142.3400	104090988.5000	101743781.9000	116787114.3000	114752943.1000	106548555.7000	129378052.1000	134636209.6000	118984912.5000	115713156.1000	123357890.5000	129474360.5000	143147246.6000	139371403.2000	123694610.7000	115792414.4000	93514660.8600	98765562.1100	110352177.6000	102922893.0000	86631340.5700	71787668.4600	86926140.2900	97712849.0300	91080754.7400	106733869.4000	106198995.9000	144430804.1000	109108418.7000	107613444.1000	80682450.2000	91826572.4600	73547601.3700	97109557.8300	101783757.0000	109533093.0000	102815788.1000	102833485.0000	106452087.2000	102351676.3000	118304328.0000	117478125.5000	140688843.2000	100679085.5000	93433796.2300	91294980.5700	104720370.7000	95575243.2000	99355755.4900	99158825.3700	75305700.6900	85177186.5100	99572169.3700	100840590.8000	104176061.5000	105483662.9000	103588380.7000	94918973.4900	104460721.8000	100959975.8000	109480710.9000	113121213.5000	108635714.4000	100358077.4000	90929363.3100	94012984.8600	67577518.8300	88029999.7700	63690688.6400	61268094.8000	63815980.3100	43688174.0700	47732728.7700	46885440.0950	22380110.5430	19795180.9525	19972364.5420	18383327.8575	19237927.3185	19306338.8430	20698168.3815	19933231.4595	20199649.4855	21606781.6605	19414722.6975	19929570.8200	21622047.5515	19756686.1695	21592571.4595
L-alanine	0.0000	0.0000	0.0000	11102452.9400	2116772.9500	1055464.0980	2177147.1540	14724763.7200	3408017.8630	708204.4692	2428431.0160	1662672.3030	10374395.5900	2571262.0400	1230928.8310	12185792.1300	3688962.2560	3163887.3380	0.0000	2303397.0610	0.0000	5030855.5370	0.0000	0.0000	8255908.0420	10921228.0200	0.0000	0.0000	0.0000	0.0000	14790104.8500	12323209.0200	0.0000	8717749.6950	2653673.7210	7260745.7030	6571935.1860	1333929.8320	1181704.9580	2252952.8590	7275250.6710	1069252.8600	1544242.1150	2517543.1340	15929927.5700	1298946.4480	1140933.9660	8237130.5690	0.0000	0.0000	0.0000	0.0000	5884294.7780	0.0000	8650118.1150	7804133.9960	11644028.3000	0.0000	0.0000	0.0000	1170249.3350	935141.4279	1418678.0440	6455464.5490	8820269.5430	10403264.9400	7690314.2600	1540285.4520	10366317.9300	12552889.1100	14163434.8700	12135014.9800	2879200.7510	458325.6537	2662311.6370
L-cysteine	18186290.7200	9681881.2760	25759408.5800	1489370.4070	1542077.8820	1400007.3640	3657130.5930	3406849.3410	3807095.5540	6751961.0600	7429558.0140	7527108.9280	777173.4425	898040.2630	784630.4689	19168409.7100	17869263.6200	18910466.4700	1348700.5330	1443785.6830	1411122.4090	4433756.8000	3680027.3130	5620540.7180	11103742.9400	4616661.0000	11651207.0000	660849.3575	752235.8025	732838.6330
L-cystine 2	3998541.5485	3128717.7765	4053910.0115	6858883.4430	7168965.9580	4081615.0980	7004922.8310	8803875.8510	6202916.6260	7513707.4570	5488440.8880	8341244.1810	7249239.0490	5906466.1270	6873376.7990	6097160.8690	6030077.5940	4447919.3080	404834.4843	453743.6664	378356.5879	1136202.8694	1082818.0946	1181707.7377	4352417.5140	3947712.5715	2496088.8430	2579282.7290	3425956.8715	3769130.3000	2158468.5570	1836527.3715	3875848.8145	4243480.3860	3905869.0285	4024081.4430	1990790.8145	1881439.3425	3940442.6855	3518898.1715	3494936.9715	3559602.9570	2780653.7860	3327178.9570	4392035.8430	3814920.6715	13899045.9015	10638754.6705	5391229.3145	5708789.6570	8911010.0415	8913563.4555	2525174.7285	2659519.6715	5794329.4860	6525696.1290	955614.3285	1098209.6713	247046.5428	459678.3429	2824223.5860	2873276.0140	563714.8572	582737.9714	5162952.0855	4872495.8855	10111415.0845	10888803.5880	1909952.7715	3074196.5715	2650806.6710	2378245.2855	3268283.9000	3205624.5575	1733115.8715	1857923.2860	3160246.5710	2629568.4570	3660042.7285	2634688.0575	2923200.9860	3088442.6575	4757555.1145	5281484.0145	5395542.6855	5263601.0140	156446.1714	155548.7000	1962883.7575	1978057.4285	2278710.1570	2428937.0860	959699.2000	1543499.0145	2144333.1140	1916864.8575	4849557.2285	5165341.5860	2840148.0140	3381054.4290	2759148.2285	2530891.1430	2842296.9860	3691635.9570	2245209.2010	2363014.4785	2470567.1800	181021.2062	208209.1005	150268.8723	5886639.9165	6340274.4490	6672855.6815	24084438.3100	25403579.3200	23781829.5800	22805627.4000	22429538.7600	22473624.5000	21952037.2400	21313336.4500	20930135.6500	24685361.8500	25948747.9900	23398288.0800	22952495.6800	22084869.5400	21282670.6900	403508.7964	389227.9825	413916.8863	1176909.9902	1339986.3090	1284191.7197	5069952.2860	5713571.0860	3696970.0145	3717154.3570	6961635.8430	7190996.7140	3280600.5715	3133487.7430	6596012.4430	6457700.1860	5096473.9000	5926117.4000	1704416.2285	1974769.6285	5802866.5145	7162324.9285	7038398.4000	6161422.0285	4685807.9000	4970203.6425	7867737.3450	7831308.8995	15224551.0450	16763348.3300	17085039.1435	16488881.6555	17284429.6750	16133574.3100	3387238.4430	3716016.7430	12131259.7985	10548292.1265	1054450.3000	798753.1856	365986.8000	489300.1000	3543732.8570	4672125.8285	521045.0857	466082.1857	8766539.7880	8680331.7130	13935421.3265	15722624.2870	2997351.1855	3993606.7140	4749860.6855	5380784.2715	5552775.3285	5447200.3145	4061897.0575	4036284.9570	5742212.9860	5933016.6285	8067284.9000	7977212.0870	4105892.3140	4052882.0000	7402639.2845	6613676.8430	8303717.9265	8126937.2555	174932.3142	225213.8143	3129783.1140	3299278.8575	4969686.6285	4816267.9000	4154472.1715	3455796.3710	4369046.8715	4353375.1860	9657566.2430	9765917.5285	7450868.8285	6553381.3570	4167121.3140	4547679.4855	2860609.7285	4324617.1140	2913051.1425	2836540.7055	3024537.8750	131201.2643	154285.5910	116466.8110	8777244.6260	7034456.3370	7823762.4580	7653800.3470	8846676.2470	9079934.6110	9724473.3240	9801126.6210	9035596.3760	9041696.7740	10115890.4500	9340839.3100	8713896.0040	10232108.7300	8723151.6050
leucrose	4470984.4570	4944271.2000	2385612.2860	3375072.1710	3585698.2290	3621123.1140	681360.2286	2506569.4290	1599047.6570	1414101.0290	2441164.2570	2511330.5430	2395228.5140	2175352.3430	5282284.0000	4549790.8570	2182641.7710	2696518.0860	651783.5429	6949908.5140	6774711.0860	7855416.0000	4055892.5710	3792497.4290	1971146.3430	2077270.0570	8335009.0000	1571544.2860	3908183.0290	4190423.6000	5411209.1430	6364624.6860	885423.4571	960050.3714	730354.8000	1100930.1430	3204081.4860	3088459.5710	1003226.2290	607723.2857	3686876.2290	3163442.0000	1092916.4570	11930626.0000	2021708.6290	2506229.9710	3556236.7140	2940903.9140	4320979.9430	4212941.4290	624282.3714	813949.5714	3518890.9710	2843217.4860	5600390.4000	4446253.5710	651691.6000	361079.5143	1522401.1140	1540786.1710	3726558.0000	3769437.5710	385149.8857	377197.6286	731637.0857	3966198.8860	1418007.8860	4541080.1140	396692.4571	1623790.2570	6345356.7710	6444648.2290	1279744.6860	1239445.6570	2973850.4290	2866315.6860	3145157.7140	2873042.1710	3251481.4570	4352959.3710	4587341.9430	4137174.5710	1423044.6290	1558044.8000	7780496.2290	10369288.2600	732837.3714	3742640.8290	2349783.6570	2320271.7710	3312613.8290	3136796.4570	1649542.2570	2126524.6570	1252882.4570	3166514.5140	3670357.1430	3021018.5430	1128433.3710	8314002.0000	7428096.6860	7333873.8290	8233860.5710	9293177.7710	3838037.6000	3639335.5430	2091950.7430	13238861.0000	4508882.6290	4697153.6860	8202006.4000	7307847.0860	837295.6571	655016.5143	957407.7143	1065468.3140	4133330.4000	3537194.2860	464072.3714	671256.0000	4414457.3710	4387213.0290	1199015.4860	1573746.1710	2179162.4000	1175927.0860	1534938.2290	4500187.9140	5807144.2290	6027747.2000	1706439.6570	1565889.0290	5309070.4000	4971667.6570	3059518.4570	2783802.0570	4809273.0000	4732164.6570	2125462.7710	1980194.1430	4703617.7710	4832216.9710	516024.3143	642051.2571	884790.8571	919976.7429	1747640.6290	2161476.1140	248618.0857	387633.5429	9000091.0860	8003070.4570	9550268.4000	9582424.0000	4752989.2570	5259274.4570	3389806.2570	3542001.6570	5114832.4860	7227952.0000
L-(-)-fucose	10855111.0000	12364647.0000	11462193.0000	14914049.0000	12993925.0000	14141032.0000	11629050.0000	12273007.0000	12031583.0000	11107008.0000	11780138.0000	12366357.0000	11075100.0000	11865196.0000	11716941.0000	21059661.0000	20679042.0000	19447765.0000	21095829.0000	20614420.0000	22048895.0000	19928425.0000	19666687.0000	19185895.0000	20383393.0000	20919474.0000	17815590.0000	21029405.0000	20866504.0000	19784545.0000	10904591.0000	10351335.0000	9688800.0000	9516608.0000	10755307.0000	10200424.0000	11183247.0000	10247019.0000	10213225.0000	10493923.0000	10667348.0000	10663160.0000	13005364.0000	10841853.0000	12705488.0000
L-glutamic acid	4234775.4720	3106611.3110	2915520.4100	2436753.0000	6086243.0000	2870570.0000	7706469.0000	4355444.0000	4010890.0000	3682132.0000	4818052.0000	3929577.0000	3703987.0000	2315836.0000	7086141.0000	2211201.0000	3412223.0000	4588476.0000	692129.0292	737770.0160	623907.0971	1408533.5200	1545931.3420	1264474.9530	9229429.9430	0.0000	1465652.5140	1846744.5710	4400325.0290	2923227.4290	0.0000	0.0000	4908401.6570	7527722.7140	0.0000	0.0000	5140471.8860	1710111.6570	1802641.7140	0.0000	0.0000	4826286.0570	0.0000	1915095.5430	1272485.3140	569608.2286	8175260.8000	6173483.8860	0.0000	0.0000	1992004.5710	3517734.4000	1745724.2290	2112158.8570	6170693.3710	5971873.3710	0.0000	3591191.4570	276073.2571	333954.0286	906233.7143	913707.3143	0.0000	0.0000	4031820.4570	3674892.4570	1993927.7140	1569754.1710	2626202.0000	3235533.0290	1782826.8000	0.0000	0.0000	817949.5429	846051.2571	1125407.1430	821284.1714	738815.6000	1056492.1140	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	583183.3714	0.0000	0.0000	0.0000	0.0000	672118.4857	757883.1429	0.0000	524183.4286	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	419582.9143	478025.2571	2936609.2340	2299448.7140	2673886.7550	368367.2917	387620.4686	370410.4573	4873681.5350	7330253.0380	12060063.9800	10256465.0000	13685448.0000	9674742.0000	7611562.0000	8661334.0000	6151539.0000	8160531.0000	8002830.0000	7411783.0000	14301461.0000	13063175.0000	6336840.0000	7476147.0000	8606061.0000	5095622.0000	627826.6235	1072683.9530	807486.5791	1253598.5450	1411007.3300	1315830.7570	12538410.0600	0.0000	0.0000	0.0000	0.0000	0.0000	9024215.7710	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	6655184.4570	0.0000	0.0000	0.0000	2872469.4860	0.0000	4771388.3430	10272342.5400	0.0000	0.0000	0.0000	629928.6857	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	248840.2857	309764.9143	883630.7429	1454062.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	1938920.3710	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	141068.7143	0.0000	0.0000	0.0000	945018.7429	0.0000	0.0000	14914757.4900	18317622.8600	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	558588.0571	0.0000	3611668.3970	3787592.8900	2899679.8520	460116.7931	705968.6766	444346.5186	2417762.0000	3215654.0000	1634576.0000	994244.0000	4013968.0000	4450344.0000	6498470.0000	6206342.0000	2273869.0000	2087608.0000	4262838.0000	3210454.0000	6799834.0000	6845948.0000	7923197.0000
L-glutamine	7042857.0450	517096.0474	7169444.9170	1270708.9160	1393615.4860	1174936.3980	147190.3143	789282.3296	889112.0539	10282055.6850	12495708.5715	3120689.1430	14626013.4570	9503965.2570	10290222.7285	18366063.8735	8193192.6550	11257645.8020	11948356.4145	24851295.9705	23303612.6550	11463353.8405	10377652.9305	5771021.3715	15485826.4865	9546679.5140	9414845.8430	12074377.7850	12831540.7005	25701226.9550	23740835.5000	14439017.9420	6125838.0860	10286614.3550	18899107.1150	11576633.2005	19034135.0450	7482984.1150	5133674.9140	13975327.8845	21941613.7450	2669494.3570	3373732.7855	5369979.1721	1906959.8000	10101974.0715	9000455.5285	4384117.8575	4539540.4140	14172717.0570	14438175.6585	8244578.9120	66643477.9850	8370599.8730	12513017.8550	5603799.7145	9106152.6405	7128056.8430	6999072.4285	4453106.5000	4331204.0570	7451907.4855	9087340.4555	17344270.1700	12939787.7735	6333139.8570	7613793.2430	7542609.1835	8410064.4570	27393572.5000	30117129.0000	1033610.5430	1051140.2859	9058274.5285	4216138.9855	9529342.5280	14765765.0570	4261152.2290	6094533.8450	10109659.9570	10538340.3145	16081812.2835	12143295.7300	2929399.7570	10069611.0430	17891724.1870	16037026.4985	3623336.5000	13451720.4000	403640.4079	3064672.6310	3374234.5280	445618.0505	525130.5237	412256.3613	19652913.1800	19842950.7300	21254517.2600	1289497.7470	1205921.1260	1196351.0750	3482688.1610	3868794.3880	4025552.1000	11965925.8430	14276900.3850	13168468.9305	13842502.2000	15510868.6850	32651703.2150	13513508.0850	13208999.0705	14932803.2015	13361181.6595	17516521.2020	20191666.8250	11728203.9285	14298514.5300	16309056.0145	21386942.0450	9663967.2720	10459073.5120	16936799.9450	18507477.4135	32874810.3250	13203394.5400	14703698.1000	16707798.3995	51270669.0150	45713037.2300	37286944.5550	26301310.7400	13457219.6700	14156882.1995	39105623.1700	29231130.1300	3688850.0570	2894408.1425	1682223.1860	2060556.2855	6718774.2985	10123758.5585	4600241.8855	5253248.5855	40225201.0550	34447297.8550	7184410.7730	26160569.4850	12758514.8005	16036550.6995	10053701.6305	11058596.1720	17777045.1150	18168218.6700	12783495.1295	9723112.8285	14234077.4300	14504300.9985	25679536.7400	25526042.1000	13293239.7450	13054717.0980	11286683.1120	7405419.7695	20973230.3995	19589514.3020	1283348.5288	1644668.1571	9655044.6735	10764975.6450	27778372.7570	27268841.4835	19704854.9585	17657084.1120	15321637.9300	15981887.4850	22009166.1705	33777865.7000	21067241.0700	21827493.8400	27745264.9450	34674916.3250	5686717.9430	15652526.5995	8405054.1940	8701522.6050	8416390.9350	283492.2159	391245.7867	391331.7309
L-histidine	63175574.3700	50453012.0500	62390376.3300	9934741.1990	12323994.8200	10220192.3400	24298246.4000	27279871.7000	28149927.2000	0.0000	0.0000	106921356.2000	120779499.7000	124632088.4000	105772546.1000	0.0000	0.0000	0.0000	0.0000	119344620.7000	57092845.5400	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	89126192.9100	65388246.1700	0.0000	0.0000	0.0000	69219947.8900	82628043.6600	103397398.4000	124473759.1000	0.0000	0.0000	126562589.3000	117650315.4000	0.0000	0.0000	7024297.5710	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	81317254.6300	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	78118261.5100	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	58041134.0300	136108566.2000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	41185493.9300	40924100.9500	41925613.9200	4252674.2950	5185100.0150	4125864.3600	88278565.3800	88702052.0900	86756508.9700	9807390.3690	10620042.8300	11334298.1400	29805088.7300	34988969.5300	33322233.8900	0.0000	82969918.6000	132903814.6000	63054363.7400	78019477.4900	60745986.0600	0.0000	0.0000	0.0000	0.0000	56370788.1700	57720949.2300	0.0000	0.0000	0.0000	0.0000	88608935.4600	80669429.0000	99400141.5700	102688157.0000	93081657.7700	98379707.0300	0.0000	50612236.0600	0.0000	0.0000	78045385.1400	83807051.0000	88631681.6000	96726560.8300	66235877.2600	71772391.0300	0.0000	0.0000	7366549.7140	9215190.5430	0.0000	0.0000	13092617.9100	0.0000	121304611.1000	98790291.4300	112442396.0000	113919398.8000	0.0000	0.0000	0.0000	0.0000	84726328.3700	83779734.0300	62465088.4300	67116568.3400	0.0000	68050503.9400	116847436.2000	120944524.3000	0.0000	93975544.6000	67700031.7400	63634707.1400	113037940.5000	101174334.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	98262161.0900	88112644.1100	131736609.5000	93199015.2000	0.0000	110757848.5000	0.0000	0.0000	58816542.2400	56782774.1100	60101620.8500	3542882.7680	4077274.0640	3970774.8510
L-(+) lactic acid	20550751.2000	15303740.7100	19623044.0200	75323244.3100	32504729.0900	20636640.0000	32175475.9900	103979648.0000	34378688.0000	79073632.9000	45673060.5100	89513656.9000	39302973.6000	31384505.4000	37411032.0000	78100982.3100	41985920.9000	19778128.0000	5129712.8140	3625325.5320	2775437.6190	6137181.0250	6377448.3380	5196050.6270	19707254.1100	17528104.7100	15661281.5100	10867362.8000	9003715.5140	11893151.2900	11329633.0300	8095642.0000	16708402.6600	13730398.4300	20228366.6300	16557047.2000	20080508.8000	22469249.8900	20289439.4600	16486706.9100	35221180.3400	35405489.7700	17104973.1400	17685729.2300	14236701.2600	13436671.1700	38099647.0900	89932112.0000	27885720.0600	12824271.8000	22395737.3700	21513722.4000	14623795.9100	14249844.0900	14372253.8600	20310217.3100	7240972.2860	7626628.0860	4796095.6000	5549361.8290	19721355.8600	17631541.8300	7206755.2570	5967856.7140	7515237.8290	11380674.5400	16604952.8300	17494068.0900	4854489.8860	9479664.6290	5060030.7140	9378720.6000	14502969.1400	11802774.9400	7103706.4000	8856893.2570	11509555.4000	8406976.0000	14086932.5400	7661665.8290	11825011.0000	10762733.6300	6826660.2290	8943168.4290	11194882.7400	11119027.7700	3752891.3430	3160369.4290	6735827.5140	12791438.4000	11234214.5100	12423360.5700	3420026.3140	10439351.4000	9725792.7140	9253854.3140	15864326.4300	19628609.3700	9895479.5710	19137756.2000	14786914.9100	11818207.0600	6848067.6290	10984959.7700	11076384.7600	10382994.2100	11235654.6200	1732416.8560	1895857.7140	1852303.8390	25193982.1600	25351581.1700	27968082.7700	36580782.7600	35361288.6900	37589212.8100	31422069.5400	27182137.4400	41085494.4000	25225730.9200	31268777.3100	28014204.7200	29352857.2100	35090845.5500	109046047.3000	29627791.3500	26977598.2100	28166588.9300	2886241.0850	3109057.7800	2873612.8680	6642221.5220	7111838.4810	7003715.4740	10180657.8300	11597852.8600	6101638.5140	6371777.4860	32725798.7100	38709117.6900	6650514.1140	4316827.9140	6039401.2570	5389251.0860	15782652.0600	17254581.7100	14850573.2000	18991179.9100	16054843.3100	23836234.6000	50003485.0300	45986622.5100	20284369.4900	27527907.2300	17412264.2000	17663417.4300	37136565.9400	273947.2000	49478376.6900	40604724.6000	19501258.5700	15760400.6000	11364933.8300	12881415.7400	21027327.4900	16491890.5100	2897000.5140	1856397.0290	3974959.0000	5602629.2000	5377131.1710	5662227.2290	6224200.9140	2980239.6570	9702507.2860	12832329.8600	8066315.9430	8922956.3430	2704417.9710	6032390.9430	6875643.6290	9694465.6860	5883917.0860	7541308.0000	5752325.3140	3923872.4570	5383918.2570	5331029.9140	8269085.2860	7171189.3710	8397656.3140	6962629.0570	6546013.8000	4051451.6000	5950353.0860	6540640.9710	2362358.5140	3629488.0290	4449466.1140	4500514.4860	28214530.4600	29622053.6000	9625485.6290	6693135.3430	10215125.3700	7079079.5430	12016658.0300	13309251.3400	13819569.6600	15687670.4900	7626441.8290	5986557.4290	15513284.4600	19182399.0600	13336261.3700	13574016.5300	12988884.3700	1852546.3470	1734933.7810	1764695.8200	90111024.0000	20351896.6300	83027350.8700	65557991.5900	62434672.0000	66464616.0000	55838264.0000	63586555.4300	67962800.4400	80601848.8700	77015963.2400	74559935.8700	32133760.0000	62391598.3100	37742176.0000
L-lysine	22867654.1100	18904229.7900	22880267.0500	3197725.4350	3443758.0120	2948198.4110	8187168.7490	7683883.1300	8402419.9470	11022924.8000	9792596.5710	28636522.9700	32171079.7700	22487983.8900	22204032.9100	6204277.6570	5150230.9140	5305921.6000	5820331.2000	25396417.3700	25879050.9700	13561699.8900	12130254.2300	11966938.0600	11273408.4600	1031426.1140	1064037.6000	4718254.7140	5515357.7140	39539653.7100	36452453.9400	9379280.4570	7571552.6290	54653210.7400	59892137.3700	12349579.4300	12963783.3100	26399812.8600	28778288.9100	33682576.2900	34829888.2300	2848961.1430	3371292.3430	2381363.2860	2739401.6290	5737293.3140	5826776.5710	4620127.2290	4519872.2000	30325432.4600	28684395.2000	5849326.1710	6393405.2570	21862586.8600	30791634.8600	5796610.0570	5013947.8000	4954146.7430	4801170.2860	4324041.6000	5859087.3140	4302646.6290	2709556.4570	14823818.5100	9760031.5430	14612033.8300	14728924.3400	4085874.1710	4747217.9430	131601695.3000	127490278.6000	1214584.7430	1306930.8570	3984364.8000	4087472.8000	7769009.8860	8504258.7430	5838279.7710	9340874.6290	14142051.8900	14383637.8300	8366581.4860	9112495.3140	14856000.9100	14932443.4300	48201713.1400	43919881.1400	12659100.3400	15493895.3100	13981500.8300	14332466.4700	15310197.6200	1481963.3490	1749380.5830	1508093.1160	28870486.9300	30847041.6700	32644784.4900	2869746.7960	2755776.9390	2852696.6250	7459134.4230	8720403.0560	8626280.7840	11242457.1400	10434006.8600	36732542.8300	38759744.4600	45322897.9400	45243916.8900	7520250.9710	7293783.7710	6000251.8860	5811491.2000	27900316.3400	32025986.5100	10366064.8000	12272904.9100	17790250.0600	22160086.8600	1670010.8570	1516551.1430	5628597.3710	6042485.8290	55788922.5100	55565923.8900	10202919.2000	11958913.2000	146662809.8000	132951764.3000	19648841.8300	18390093.9400	31186797.2600	33700671.1100	56995963.5400	49637630.0600	2175066.6290	1743152.9430	2268308.1140	2538286.7430	6164684.9710	8388335.4290	3673317.7430	3868706.6860	49342337.8300	45414307.6600	6142119.3140	6662954.2860	24170265.4900	31144236.8900	8395698.7430	9220269.7140	6430504.0000	5102370.7430	6869454.6290	6600005.0290	4370230.8570	4437541.9430	23482651.0000	23393622.1100	16545664.4600	17545017.0900	5810102.7430	5206380.1140	91027879.0900	156712468.1000	1014493.6290	1220833.3140	4332480.1430	4566097.5140	14153338.0600	14174005.9400	19337328.4600	17658918.4000	21885364.1100	21701323.4300	13914847.7700	13837234.2900	28917140.6300	24817792.2300	53729115.9400	61314532.1100	12192208.9100	16644257.3700	15112530.0600	14706450.6400	15569675.6000	1190646.2920	1367942.7790	1348095.7550
L-pyroglutamic acid	47865798.6400	40773323.0400	48078940.1800	4739963.0520	4923281.9200	4264477.7750	10904148.5500	11050927.8500	11907786.7300	41817212.3400	36831565.2300	29875634.0600	33179302.8600	37360308.2900	37640544.6900	28705901.2600	24188468.9700	46283575.7100	51252585.8300	56905794.7400	59381343.0900	37508826.4600	32789202.2900	37804049.4300	36080898.6900	22393180.0900	23742146.0300	33224966.4300	38924849.0300	9260952.0000	6631205.4860	60653283.2000	43973164.4000	54428228.3400	60490959.0900	76083468.8000	86039877.7100	28781091.9400	32222879.0600	65868828.1100	73595624.2300	12116116.7400	13456163.8300	4547143.7140	5303419.1710	36455570.7400	37427725.4900	8622728.1430	8790901.5710	49981743.5400	47355159.0900	63615068.8000	71070724.3400	19519679.7700	30585728.0000	31043825.2600	26309069.4900	34488601.7700	33496088.9100	25137465.6000	25956063.0900	34582073.2300	26730453.8000	51449701.9400	32365669.7400	25533857.8900	25783744.7700	19484035.7100	21515553.1400	39799343.5400	38914146.5100	3591106.9430	3304849.1430	19083708.6300	19990052.9700	31084543.7700	33700072.4600	12828585.8300	23777939.8300	26209279.2000	26785261.6300	57772779.6600	61354402.0600	31725184.2300	29412874.9700	31360775.6900	27909156.3400	35120582.0900	44953090.9100	28074196.3700	26418927.4800	27348509.7900	2485936.7970	2727777.9080	2399117.7090	39398322.5200	38799394.5300	42300528.9800	4261835.0010	4179049.2990	4077591.4610	9369044.2380	10425447.9500	10494780.1800	28007585.8300	28990480.5100	20210666.7400	20809496.2900	40301011.2000	42395342.7400	27510329.7100	26856479.9100	46709832.1100	45739951.6600	34449479.0000	39168343.9700	25465192.0600	29794058.6300	35714834.6300	38121271.5400	23312140.1700	20368595.3400	37382164.2600	38949643.2000	9152302.9140	4094777.1140	46400782.0900	51551737.4900	50477270.4000	61834695.5400	84167806.4000	79332689.6000	24383975.7100	27493078.0900	61356907.5400	52842337.5400	8824009.0860	8688004.5710	5620499.7710	6318766.9430	513971.0000	969532.0000	6720209.8860	5302830.3430	45550923.9400	42089948.0600	42871817.6600	48973108.1100	14508251.7100	19124594.2300	31156797.8600	34009841.4600	29637720.6000	29403804.6600	28901283.0900	28090262.5100	32395332.0900	32916365.0900	46128234.1700	46434629.3100	20815075.9700	19661077.8600	16034951.8600	14541434.6000	25958095.7100	25096124.2300	3503193.1710	3972967.6000	18233162.9400	19379585.9400	42891292.0000	42970962.5100	33941566.8600	30797309.2300	26013923.0300	24064807.8300	56995288.2300	57088073.4900	38190332.4900	34939536.9100	17445749.4000	21631164.6600	21816280.1400	33139576.0600	19311932.4500	18596919.0100	19518991.5000	2151975.1610	2417846.9780	2348860.8590
L-serine	58231013.3100	61368990.5100	55914018.4700	4709388.3050	4996567.9500	3977424.3110	11580910.5000	10411430.9900	11725566.5800	48679117.9400	47480678.8600	39607005.2600	38592066.0600	27392204.1700	31488699.4300	39444493.0000	37092185.6000	40308501.0300	42446238.5100	60893531.8900	57037787.4300	22212783.5400	22210947.3100	30287438.6300	28744188.3400	2072096.7140	28270858.5100	36772461.7100	39112297.2600	39782855.7700	25429862.7100	40956222.6300	33363220.1100	48842899.4300	48357605.0300	63985938.7400	52989913.8300	30104054.8600	29708623.5400	58677302.5100	62117758.4000	5624832.4570	6529239.3140	1759474.8000	1913163.4290	34981400.2300	35159532.8900	5961845.1430	5823181.6570	44325033.1100	40897807.8900	35244271.5400	38890747.0600	26512114.2900	31537230.6300	35181149.9400	34002936.6300	39322007.0300	38220536.6900	33992788.1100	39672597.5400	36609071.2300	38131585.6300	44242867.6000	15232276.3100	30328684.8000	34101813.8000	10793934.1400	11464408.2300	46349155.5100	38584285.9400	1066283.6860	1152424.4000	26812916.1100	28052317.7100	32725864.2300	35911688.0000	4892651.4290	30350493.2600	29324209.6600	31865771.4300	42705211.4300	47269340.3400	38668942.5100	31027249.0000	32916719.3700	32437237.0300	23379042.7100	27560611.6300	34611057.2200	41360697.3600	45697105.6300	2208270.0680	2396906.9840	2240877.8710	36806710.6300	38428582.8500	39467280.3100	4231770.0790	4178474.1150	4001853.8980	9993035.5680	10637712.3600	10718024.2600	22093111.5100	25455756.2600	17058537.7700	18093491.4000	20807320.2300	21223982.6300	18171814.5400	18192474.7700	20526740.9700	19823128.6600	32143864.2300	37180909.4000	1624528.8000	1905700.8860	12271182.8000	14872052.3400	11095930.5400	10132412.2600	16872222.1700	18174242.8600	20594406.5700	21996550.8900	16993382.2300	19512401.0900	42648982.8300	38511474.2900	36602327.7700	34787064.6900	8204091.2860	8668799.3140	54827665.8000	20217572.8000	5363178.6000	4054937.0290	1613527.1710	1879017.1430	9697751.3140	12357870.7100	4810296.5140	4983245.6570	25111287.7700	22689261.2600	19013514.5100	20760509.9700	10920859.1400	14534192.8300	16203596.3400	18054362.0600	19567455.0600	18313514.2000	13267479.8600	12584624.2600	16848712.1100	16864931.2900	26529717.0000	26677266.9100	11332681.7100	10834335.4600	14127874.4300	12286844.6000	15559604.1400	15163398.7700	1039335.3710	1202203.5430	5077672.1140	5539940.5710	13864987.4300	13919476.5700	13893230.6300	12938454.8600	11979626.9700	11893883.4300	29566633.4300	30205892.3400	20842152.2300	19096991.0900	12117610.7400	13667230.0600	6703828.4570	9322377.6000	19812245.0000	20007291.6200	20113643.1100	1962479.4790	2252954.7250	2199071.2570
L-threonic acid 1	48552800.6900	34426710.1300	46763830.8050	5079541.5720	5343865.7185	4380097.5920	12776545.1915	11858461.8265	13166196.1445	41480930.8900	36746700.9850	16230897.3000	17730021.2270	29443586.1300	30410875.9750	23630997.9850	20094532.3705	34465121.7150	36828723.9550	35227045.7550	36183831.6300	31204113.0300	27194327.5430	31069712.2000	27209540.5600	20024363.6555	20944736.9005	23812283.5720	27759626.7850	70346729.7350	64284560.3450	50197356.8700	36270971.5300	50529194.9850	56200085.1400	64825552.6850	113892007.1500	19343223.0250	21273928.8450	42821335.9250	47032810.9400	8856212.0285	10655971.7020	3935842.9855	4474334.5570	36064095.6300	36703838.9150	5698719.5570	5678892.6145	41582767.3450	39290740.7850	47382714.4850	52736705.2850	13978156.5020	19557882.6270	22381846.6150	19348041.0155	26792373.4600	25695987.8150	20447760.1980	22131143.8420	29396573.6600	22996167.7000	47232384.7000	29987583.8850	18524795.5005	18787524.3845	15921352.2700	17994089.5295	17897566.3715	30754829.7250	2708890.3000	2674138.3855	23084007.2580	24400054.1420	27005198.6445	23053529.9450	9189671.2135	15529535.0865	24311768.6445	25320642.8995	44864544.1850	48824269.1400	23995087.4295	20474227.1995	16309305.9405	14527878.3450	27450548.3550	35293279.0000	23141175.5550	25283180.5700	27459241.8000	2309526.2870	2707985.6415	2372083.9355	57863876.0000	59586809.6950	66318830.2650	4850859.2920	4796319.8285	4595928.7270	11278566.7860	12815750.1125	12281544.8965	31449608.5700	36081030.2850	22890095.5550	18335971.7415	39872942.7000	43068075.2000	29484632.5150	28209606.0300	40756880.8750	40013005.4700	31822184.7700	37909330.3450	21752962.5135	25945669.2550	34313303.7100	42964830.4850	29970653.0000	27160694.9700	31291497.4850	34289196.8300	98057704.5550	92502478.8300	41894355.7850	47075228.2300	118946202.6000	121479112.4000	128238058.4500	82231908.5800	20212834.7600	21314282.8700	57768399.1250	48314934.2850	7861939.2585	6298014.5430	4117576.0430	4604717.5285	26517462.2850	36534625.4400	5970672.6285	6061602.0285	49134198.9850	47800611.0000	46341734.8300	49841110.3450	20446773.7000	27440754.3400	30023680.5600	33430476.1300	31061808.4000	31060190.4000	29376612.4000	27658769.6550	32458600.4600	32321675.2000	53714345.5850	53539274.1550	19985262.1130	19422363.7735	22176953.7580	19327501.2135	26819415.0000	25757231.1450	2743775.9710	3202056.6570	23338950.6280	25175907.5405	34866645.4300	40361224.4150	29493966.7850	26278367.7700	36326218.2900	34086049.2750	90283668.4550	95080559.4050	44360848.6550	41605497.8400	14860228.9585	16845031.3450	23699213.4265	32224460.0300	25613477.6950	23819870.2200	26161532.3750	2153451.5890	2525492.4010	2457714.3155
L-threonine	15180144.8400	11260101.2000	15507116.5600	1877792.1160	1973019.9790	1618706.5750	4575156.6510	4114023.4730	4695112.8570	19853548.8000	9194936.2290	13503220.5700	24568662.9100	14554067.0000	20641028.0300	9219287.0860	8263376.0000	6539173.0860	8896918.6860	24769079.5400	25553027.8300	2497690.1140	605035.0000	11898055.2600	10629431.4300	4544093.6290	4682555.0570	11149225.7100	13237607.5700	9781366.6860	12707010.3100	20958846.1700	12448001.3700	29842078.8600	31261833.3700	21772914.7400	21817991.0900	8337524.0000	8934638.7430	23719288.4000	24362732.7400	2886550.7710	3413683.2000	1361804.9430	1577365.2860	14884005.0000	16255714.7400	3184751.8860	3122986.8570	12975647.1700	12091201.8900	10584568.4900	15265104.4600	8487189.6860	11317602.7400	4780988.3430	4379998.8570	8383593.1430	8026579.6570	3754998.2860	662353.0000	16830015.5400	5150173.1140	18311684.1100	9567658.0570	7179487.3140	7420215.0860	5063624.2570	5519051.0290	13432279.5400	14180871.2900	839075.6000	832416.1714	2711597.2860	14197496.0000	8082998.0290	3597242.0000	2199728.1430	3685009.8290	4029025.7710	4445586.2860	24835800.6900	29626563.2900	7021534.6290	8336741.9430	13577568.4600	12852717.1400	5671616.8290	6356464.0000	8088624.9580	8381659.2780	8042368.5020	969678.8310	1034894.4840	987478.6612	15318399.2700	16575760.6100	17409120.5100	1771517.4140	1732618.8280	1671962.1690	4039046.7450	4372596.1340	4302120.6600	8805707.8290	10094494.9100	16287167.6000	17271484.1100	31778465.1700	32624004.7400	11524958.2300	11343229.2600	8362334.6290	8035441.4290	23992324.1100	28249330.6600	1809189.2570	2178132.1140	13237597.2300	16243207.6600	6553274.2570	5921278.5710	14739740.6300	15864380.5700	10376474.7400	13446309.8600	13578091.8900	15597392.2300	59237580.8600	52695240.5700	27820921.4300	26038973.2000	8631328.0290	9091619.2000	32898933.4900	27278728.2000	2547786.6570	2045308.0290	1331433.6860	1540069.0570	5772230.4860	7562018.4570	2589319.8860	2654650.9710	17554521.2600	15989119.4300	10167544.4000	11161924.8600	8618154.6290	11509672.6900	6303864.2290	6977055.5430	10053185.0900	9722553.2000	5551464.2290	5360796.9710	7426423.2570	7503902.6290	16309034.3400	16289090.6300	8282470.5140	7917037.6860	6522961.7140	5691499.8860	14232884.3400	13822789.8900	815382.4571	951140.1143	3475184.6000	3797413.1140	12010226.9700	12095400.9700	6495528.5140	5976033.3710	10183948.5700	10096532.9100	21279535.5400	21902052.6300	13120863.0300	11949790.1700	14260418.5100	16295240.4600	4717139.3140	6663230.8860	8330650.2560	8366291.3000	8335176.6870	842871.1634	969030.5641	942807.8634
L-tryptophan	24318178.4400	20463464.2300	24798022.8300	2635334.7340	3026986.4400	2691612.1660	7061720.0980	6815255.4920	7033554.8350	0.0000	0.0000	12026817.0900	12882243.1700	10250416.4000	10182589.5400	8323912.6570	7090847.4570	0.0000	0.0000	19465830.0600	20491415.6000	0.0000	0.0000	10260313.2600	9804677.0290	0.0000	0.0000	7259612.8570	8494246.5710	0.0000	13933233.0000	0.0000	0.0000	17938845.2600	0.0000	0.0000	25922485.1400	6037032.3140	6740644.3710	17520151.4600	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	6263045.3140	9124269.9140	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	6025252.3710	6177315.6860	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	31963744.2900	33396096.3700	0.0000	0.0000	7342196.1140	6778994.6860	0.0000	0.0000	13565542.2300	13482243.7700	14018524.8000	1405209.5910	1433804.2240	1325030.0120	30589819.1100	32076407.1400	34303093.1300	2430560.7640	2090515.2410	2242950.7130	6441459.2040	7165570.9910	6871086.0040	9650305.6290	10846664.4900	14356888.6600	0.0000	16947588.8900	16920486.1100	9979602.7430	9777937.4570	0.0000	0.0000	21050083.4900	23152455.4300	0.0000	0.0000	11739197.1100	0.0000	0.0000	0.0000	10043237.6600	10733130.6300	0.0000	0.0000	0.0000	14251124.1700	0.0000	0.0000	36485395.7400	35314575.2600	6810799.9710	7393514.4000	22784417.5700	20067536.5100	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	16187375.0300	7518949.4570	9605437.1430	0.0000	0.0000	1408965.3430	1375768.8000	0.0000	7112073.2290	0.0000	1722794.9140	17882479.1400	17827894.4000	6763721.3140	7114282.2000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	10329397.0900	10283698.2300	47137569.6600	46002187.3400	16088698.9700	13942821.7400	7892653.6000	9083463.5430	0.0000	0.0000	14744818.7700	15176974.5400	15231374.5600	828101.6435	960949.1380	603915.8463
L-valine	2721499.0290	2908545.1140	2850784.8860	2139415.2570	2156777.6570	3690785.4290	2967169.4570	2642395.0570	3038627.2000	4209427.3430	5074518.8290	2835766.6290	1186169.5140	1275831.3140	3105100.8290	2704862.5430	1145783.1430	776180.5714	1973007.8570	2460934.1710	4534198.9430	4168419.5140	4189058.8570	4937348.9710	4273323.1140	4433723.0290	6940181.3140	5424715.9710	2726222.7430	2184141.6000	5348453.5140	4847709.5430	1262116.0290	935950.1429	547684.6857	598508.8000	1528168.4570	1429301.8570	1223276.2570	1000306.1140	3767877.6000	2694103.9710	3778322.6000	3423623.5710	1962458.0570	2112223.9430	1523637.0000	2545522.0860	2287420.0860	2092599.7430	2288071.0570	2655624.3430	2255560.0860	2319085.1430	3052142.7710	3592388.0570	2343807.0290	2780673.0570	2561491.8570	2701010.1430	3380985.4860	2188734.4570	337033.6571	323862.6857	1165979.7140	1210929.5140	3171015.2290	3573109.6570	1322572.2860	1513599.6570	1656886.7710	1659430.0860	3944383.9430	4863378.8000	3395182.8290	3948446.2860	2196006.0860	2085863.4860	2739620.5430	1948791.9710	3487033.0000	3776163.1710	3503500.0860	2529861.5430	3474791.2290	5852916.6000	3649679.9430	3556947.1430	3911823.5430	3734910.8000	4325794.8290	4443889.1430	1163274.2570	1332274.8570	4100846.0290	2675561.8290	1445833.8000	1703103.3140	2638770.6570	2090018.8000	5534007.6000	3416263.0570	5004230.0000	6071192.6570	7899725.8570	6821987.8000	7247836.0860	7277877.5430	3019573.0570	3058773.2860	6044744.7710	7270232.8000	1078386.9430	924984.1429	637482.1429	706747.9714	1810507.5710	881947.8571	1138561.7430	1151988.9140	4843674.6570	4485804.0000	3322453.9140	5709436.2000	2222457.5140	2839809.8000	3566525.4860	3869131.5710	2406593.2570	2068322.1140	2710099.7140	3362036.0000	3146033.0290	3197464.4860	4669325.7710	4351483.3710	2717446.7430	1350389.0000	2940279.4860	2750391.4000	3311920.7140	3054957.2000	338944.2857	380604.8571	1646659.1710	1648979.6570	4143466.4860	4285272.6570	3161705.1710	3340912.4290	3852405.4000	3466048.9710	5388333.7430	6486863.3710	3684336.1710	4649713.1140	3418171.4860	2661095.3140	1946709.9710	2663459.8000
melibiose	993411.7714	859283.0857	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	1680267.4570	1839191.7430	0.0000	0.0000	0.0000	0.0000	485793.5143	462302.2286	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	4357837.8860	4487895.7710	0.0000	0.0000	1942249.7140	2220568.3430	0.0000	0.0000	0.0000	0.0000	212671.3143	94943.6571	0.0000	0.0000	1489778.9710	1499801.5430	3515056.8570	3681046.2860	0.0000	0.0000	0.0000	0.0000	1454806.6290	1433874.8570	868265.8286	973079.0571	0.0000	0.0000	0.0000	0.0000	0.0000	783860.5429	32480244.0600	34465481.1400	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	438630.7714	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	787626.1714	864797.7143	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	791777.0857	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	5302619.6570	4664418.7430	0.0000	0.0000	2967066.5140	2667041.8290	0.0000	261297.5714	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	1967577.6000	1920481.6000	3267318.3140	3687161.5430	0.0000	0.0000	1774598.2860	1240537.1430	0.0000	1675052.4570	1276559.6000	816729.7143	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	40430286.1700	36979826.4600	0.0000	0.0000	0.0000	0.0000	879591.6000	1026154.3710	0.0000	0.0000	0.0000	0.0000	795531.9714	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	1407428.4570
mucic acid	3315789.2380	2169793.7240	3314106.9520	515769.8752	502882.6229	521938.8692	842574.6924	645967.6228	818898.1950	3877730.8290	3458254.6570	1159293.5710	1229069.0860	4455046.9710	4658455.5430	3374482.0000	2942786.3140	4126761.2000	4520860.9140	5482017.0290	5639850.6290	2205167.9430	2054704.3140	3384681.2000	2753111.0000	1942482.7710	2057197.8570	1020539.7140	1056178.7710	3201579.8290	3002867.9710	6882137.7710	5575737.0570	4545029.1140	4591053.8290	10929386.9700	11046637.7100	1264522.2000	1389426.0000	2368337.1140	2586086.3710	1291004.1710	1526618.9140	1021363.3140	1149051.9140	1181403.9710	1167347.2000	813277.6857	799664.8571	3382413.0290	3241906.9710	8852530.8000	9540335.2000	812946.4000	1159529.3430	1244003.4860	1160330.0860	1587186.0000	1527973.3140	1526586.9140	1645314.9140	1927141.0860	1604618.3430	1736150.8860	1141937.6570	2441595.3140	2438990.8000	5635874.4290	6381442.4860	2369932.5140	2267744.4570	244649.2000	241520.8000	6716674.0000	6989860.0000	1679668.5710	1837661.0000	684462.8286	1099880.8860	1018831.3710	1053479.0860	5989453.2290	6081100.0290	1844264.7140	1892898.6000	1042886.3710	974639.2857	1246100.4000	1602565.2570	1730110.2680	1695236.8930	1760823.3490	340359.4726	467218.2806	403042.2798	8627639.7990	8282389.2660	9353756.2880	738662.5524	794243.1001	736251.4459	1953103.8870	2073075.1140	1919814.8510	5261708.2000	5797765.0290	3653668.9430	3793214.9710	11175452.1100	12017496.1100	4741629.0860	4538678.2860	7464757.1710	7223825.6290	5432740.6860	6142730.2860	2841955.0290	3240129.4860	8622882.0860	10472389.0300	3890139.6570	3600667.6290	3639921.1140	3887927.2860	5949888.0000	5868144.3430	12063822.9100	12954909.9400	14920591.7700	13523652.3400	19162389.0300	17725578.0600	4604147.4860	4884311.2000	11811981.0300	10360575.3100	1603741.0860	1271571.8000	1130594.8860	1241953.8570	3058018.8290	3929094.2570	627205.6000	645136.1714	6920640.5140	6591401.9430	11935195.5400	13304253.6000	2005532.9710	2694184.5430	5638998.2290	6283964.7430	5189900.6860	5216292.2000	5716872.0000	5382186.6290	5620888.1140	5665602.2860	7197351.2000	7131442.8570	3139535.0860	3230956.9140	8440218.8000	7638248.1140	5491874.2570	5419201.8570	367425.3143	446905.0000	2698100.5140	2795750.0290	4409785.2860	4507569.5710	4335356.7710	3893719.3140	3534932.7430	3439114.7140	11349087.4300	11626320.8000	5675599.2290	5232596.5430	2356490.1140	2576585.4860	3321267.1710	4512176.5710	3798243.9220	3685966.1300	3956145.1920	348856.4581	429177.8739	395866.2798
N-acetyl-D-mannosamine	2444898.8750	1805218.6610	2495373.5940	234063.0000	197684.0000	253822.4680	570668.7115	293133.6886	547761.5962	4030511.1710	3386893.0570	2404668.7710	2748700.9430	5530842.5140	5581040.6860	2909610.2290	2487689.2860	3595292.7710	3851644.9710	1607969.8860	1651870.3430	2946136.9430	2636589.7140	3841786.8860	3544152.6290	910809.4857	1023696.0000	1006939.2860	1232349.4570	4744346.9430	4328169.3710	4652065.8290	3451404.7140	5154530.5140	5321611.5710	6811878.0000	6832484.9710	2785900.9430	3078532.7140	5420512.6290	6183125.0290	1171575.5710	1426801.6860	515233.7143	623063.7429	2673642.4860	2841736.0000	652622.6000	675623.4286	4140397.1140	3971346.0860	4970360.9140	5507944.5140	1840864.6290	2657468.3430	2280961.9710	1787727.0860	2963648.6290	2840090.4290	2180460.2570	2401480.5710	3500564.9710	2817910.9140	5089218.1140	3363992.3140	1474824.6860	1476229.5430	1665817.0860	1895782.0570	6400146.2000	6291847.2570	276903.5714	289669.0571	1806987.2290	1923953.2290	3398092.4290	3731172.2000	827398.6571	1335137.7710	3187938.3140	3193329.2570	3254539.3430	3503228.3140	3553722.0000	3713719.8570	2556808.0290	2261330.0860	3554233.0290	4543816.9430	1334184.2400	1380875.8880	1462609.6580	123145.0000	122128.3108	64813.1948	5299527.2080	5305473.8910	5670213.7500	242473.0549	383042.3620	338328.7470	1438117.5670	1683907.6750	1643951.4280	2860690.5430	3234221.0000	2278123.7710	2243925.3430	6496554.4570	7052907.4290	3317214.6290	3328997.7430	4057000.6290	3654328.2570	2538816.0570	3241749.9710	1999128.1140	2231142.7430	4791059.2570	5590390.3710	3844945.3140	1074229.4860	2259760.6000	3173903.4290	5303275.1710	5223242.9710	6399113.6290	6950387.2290	8679101.8290	8066942.2290	7892543.7710	8014583.5140	2290276.8000	2463389.2570	6142865.8290	5555505.2290	913855.7429	734711.0571	548710.6000	576541.5714	2530038.6290	3111451.3430	545856.9714	484039.4286	4296411.9710	3867352.4570	3832740.7710	4619013.1140	1614729.5430	2381209.5140	2294925.0570	2427072.2860	3621014.5430	3525045.2000	2758414.2860	2725771.5140	3803731.5430	4080601.5710	5095673.1710	5166996.1430	1353062.3430	1353699.8290	2519936.7140	2237774.3430	5810642.4290	5721208.2290	299848.2857	348311.9429	1371874.9430	1617698.6290	4103065.8290	4140686.2290	1969875.3140	1813622.8570	3735698.7140	3673675.1710	5297441.9430	5310249.2570	5179207.8290	4682771.8860	1670328.3430	1771135.4000	2537158.9430	3464253.8570	3960671.1580	4189318.2150	4033966.6700	95100.9565	130963.0000	135660.0000
N-carbamyl-L-glutamic acid	2218229.0410	1739401.2160	2188629.7850	345828.8521	380664.0755	337564.3418	1186026.6780	1094443.4340	1401022.9980	1225803.9050	1223832.0620	1276405.6900	107909.8772	129145.2777	102659.9622	3130890.4760	3077682.2560	3377588.0600	426538.1987	373023.3595	397448.9024	1024489.1120	1114165.2310	1062629.8910	2650990.8030	2632129.8210	2679094.2910	156587.4798	133872.3241	157839.2623
N-methylanthranilic acid	986308.7638	878373.1715	1136018.2200	118226.0941	85915.2890	0.0000	368915.0095	367668.2189	392277.5465	682967.8589	760883.1472	757145.4829	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000
N-methylglutamic acid	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	522272.4057	493635.3943	524335.1586	0.0000	0.0000	0.0000	178341.0709	205738.4256	211903.1370	328779.6993	320695.6085	387700.7669	0.0000	0.0000	0.0000
oxalic acid	2277037.8700	0.0000	2284496.7440	0.0000	90373.9250	0.0000	0.0000	0.0000	0.0000	1657200.9640	1728067.6970	1815246.6450	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	82242.6427	77309.9483	89332.7077	268897.6414	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000
pantothenic acid	1064499.0000	951241.7429	771481.0857	853494.8571	1105689.8570	1127335.8000	1710176.9430	1439449.6000	1063243.2000	1167719.5430	1162419.4290	1233831.9430	1087637.0860	982038.6286	740812.9714	742861.8286	790608.9429	846462.6571	1251429.6860	1459867.2000	1751222.7430	1616510.9710	2449415.9430	1824799.0860	676722.4857	691629.5429	1680459.4290	1749078.4000	442197.4571	502953.9143	2822101.9140	3041198.3710	419836.9143	493673.3143	172157.9714	207424.3143	1053119.4000	1079759.3140	401836.1143	390930.1143	741265.0000	713068.0286	0.0000	0.0000	500437.0857	715573.4286	608084.7714	500855.7429	338129.2000	309575.1714	1336711.7140	1438786.9430	148622.1429	51548.2000	1132444.7140	766874.4000	0.0000	0.0000	0.0000	0.0000	1093517.7140	1093627.9710	73672.3429	72960.9714	377527.4857	364856.9714	626009.6286	676030.3429	780877.7714	1223654.7140	523284.8286	549690.9143	62294.1714	0.0000	773066.4857	802216.6000	627266.5143	551758.8000	786225.3143	1026618.0570	894496.6286	1019209.8570	869158.0857	929010.6000	1504515.4290	1591465.2000	1993981.1710	1925989.4570	1307462.7430	1196361.6000	1168292.0290	1316735.6860	824890.3429	937644.9714	867917.1143	1069636.0570	1129663.6860	1026110.0290	1557843.9140	1717377.2860	1975049.3140	1957450.1710	2084715.1430	2292664.4290	1385459.9710	1200040.4570	3052558.1710	2851827.2000	469457.1429	514225.1143	3733283.2860	3172953.5430	366159.7143	290621.7143	175507.3429	194520.3714	834045.2857	1108816.3430	323554.0571	342156.0286	1038100.2000	984476.1714	0.0000	650093.4857	509248.7143	682211.8286	748239.2286	835895.9143	119043.1429	0.0000	1840403.1710	1756000.0570	0.0000	0.0000	1295713.9430	1309955.8860	98724.0857	109973.4857	944188.9143	872481.2571	1025100.6860	1034695.7140	73345.8286	85863.2571	332684.2571	366571.5143	845609.0286	906078.7143	2148356.8290	1946106.1430	730578.2571	748509.2857	0.0000	78137.4000	1132950.0000	1004647.4860	562975.3143	644196.3714	638733.8000	888477.9714
phosphate	286913286.0000	272967768.0000	244951729.0000	259808076.0000	246783524.0000	297450098.0000	306604933.0000	271814491.0000	329414073.0000	385545898.0000	382114230.0000	334263304.0000	265184624.0000	240624285.0000	249113721.0000	236207776.0000	274545096.0000	274085779.0000	171490302.0000	206955716.0000	416132387.0000	384439265.0000	290317223.0000	233315058.0000	366189991.0000	354503286.0000	593231328.0000	429388442.0000	237338644.0000	247544936.0000	322716467.0000	342582922.0000	128611497.0000	152316995.0000	98853533.0000	115208190.0000	317429908.0000	322118784.0000	106633763.0000	104527201.0000	410662575.0000	347785038.0000	298242723.0000	314378866.0000	195348962.0000	258434555.0000	338516787.0000	365274408.0000	349072097.0000	339141039.0000	375331979.0000	487316665.0000	346033745.0000	344665697.0000	332671393.0000	302671235.0000	303681501.0000	340590723.0000	273704744.0000	292822779.0000	344370633.0000	289113922.0000	62021431.0000	60773290.0000	223126448.0000	235966421.0000	364846325.0000	384993350.0000	229782291.0000	307854142.0000	321895769.0000	336930000.0000	338603203.0000	414379715.0000	504690776.0000	522994288.0000	269364265.0000	247823523.0000	267840659.0000	280273664.0000	180930835.0000	186484047.0000	179931126.0000	183252502.0000	258366322.0000	294157837.0000	223119310.0000	216909337.0000	231450804.0000	221078672.0000	227383151.0000	245096110.0000	173215948.0000	192861747.0000	184288120.0000	206652893.0000	219185313.0000	215701380.0000	164217811.0000	172165386.0000	341141002.0000	199330379.0000	171574633.0000	183198499.0000	476915955.0000	300781991.0000	274173073.0000	261682942.0000	168219531.0000	174141651.0000	302667926.0000	286071332.0000	129335861.0000	112062115.0000	131940910.0000	141763485.0000	161385897.0000	185586853.0000	125925940.0000	123936456.0000	334250974.0000	333672322.0000	157049172.0000	182819322.0000	143637879.0000	185028823.0000	273947404.0000	291697018.0000	224016878.0000	225116161.0000	237164518.0000	229991443.0000	223173179.0000	222885638.0000	214245708.0000	217290299.0000	211090472.0000	366395751.0000	220277098.0000	206966769.0000	193916063.0000	187322820.0000	104881337.0000	116893404.0000	170450740.0000	172949427.0000	345915697.0000	350648279.0000	313099337.0000	297440043.0000	369630716.0000	359923530.0000	253417937.0000	265364598.0000	356700340.0000	156730335.0000	294507063.0000	275173035.0000	195795140.0000	248437797.0000
phosphoric acid	603602390.3000	531431968.2000	781398829.2000	270792111.7000	320260108.7000	334872170.6000	305353444.7000	493905458.4000	499521050.0000	524054099.7000	509457651.2000	1041017602.0000	174136016.2000	191144933.2000	178736235.3000	490422669.7000	521464882.6000	496824505.7000	397767632.6000	396596814.3000	396723987.3000	291675633.2000	515991197.5000	523066713.8000	642992106.0000	648851764.8000	654270267.8000	337629280.5000	353000987.5000	358353051.9000
porphine	6472440.9470	7388235.8780	6237054.9890	508113.5746	537864.9331	487848.5650	3284473.1040	2975159.1840	1503014.4970	10565561.0900	9531409.4570	9625382.6290	11075536.4600	9276671.3710	11669681.8900	15278146.8000	6539751.7710	15355171.0300	12511751.2300	17418680.6900	14926666.5100	9776817.8290	8346054.6290	14064432.3100	12071408.4000	7993089.9710	6946285.7140	10972576.2300	9079406.0000	10008332.7100	5247385.2860	19552374.1700	12834652.8000	10585961.9400	10458679.7700	17256393.6900	12570226.7100	10089543.0900	9469787.0860	10283415.2000	9682285.2570	7787706.8290	7548568.6570	1215950.6290	1476762.4000	17585634.6300	17626082.7400	6409719.0860	8598171.2570	12928843.9400	10927566.4900	11314129.0300	12430901.4600	5837864.9140	8576477.1430	13505974.8600	14783561.6000	17876373.0300	17329639.9700	10892908.5400	14423248.8600	13327741.6900	13506829.9400	12070358.9700	9233164.3710	12774349.7100	12346480.7400	9301217.4860	10143782.5100	67016881.0300	11031808.4600	1045601.0000	1062572.0290	11820236.2300	14463055.0600	12627773.4900	5933417.8290	6624629.9430	8967382.0860	11506933.8900	13387983.7100	14903177.7100	16779099.4300	7598488.7430	18890029.3400	13179449.8300	11887418.8600	12012972.1700	9882081.0860	6508159.6700	4879718.3690	4244704.4980	284715.1248	339136.4728	270660.2117	1340222.4070	1841033.0440	1710829.1300	314226.4269	290077.6837	302622.4684	630824.7129	753383.9993	591874.0259	1158509.7710	1207509.9430	895420.8286	913436.8286	7339521.9430	3561932.2860	3077875.8290	2377720.2290	2401314.5430	2723635.0570	2294502.6570	3350393.2000	618708.1143	764076.1429	2372738.8290	3302451.4860	1769678.1430	1551133.6290	1163195.3710	1423733.1140	1718059.3430	2151170.9430	2531054.1710	2899674.9710	2951756.8860	4105136.6290	5435939.0290	3855096.6000	1062272.9710	1094703.0570	2028052.3430	1389474.0570	555017.6571	395520.4000	419447.1429	480508.6571	1735684.6860	2275815.9710	406748.1714	285596.3143	1812126.2860	2068093.3710	2112892.4000	2755840.1710	728835.1429	1189067.6000	3340953.7140	4254343.0570	1761640.0860	1744618.8860	2334816.9430	1800121.9140	2363663.8290	1723311.6860	3175117.8000	3145955.2860	1406812.3710	1099173.2000	1156473.1430	986248.9429	2131431.9430	2386063.5140	286692.4286	363033.6857	1090565.5430	1162644.0570	10721736.5700	10539493.6600	2799232.1710	2129883.6290	1460337.1430	897397.8571	3165324.1140	4252477.5140	2416325.3140	2377264.1710	2319561.8860	2104274.0570	923182.9714	1658610.4290	1152662.0650	1028896.4010	1158201.7410	193747.5360	165050.7212	178475.5888
pseudouridine	85362905.4700	70012221.2900	86351547.9000	11036691.2700	11594163.6000	10494911.6400	27648441.0200	26365737.6600	28561416.1100	89036669.2600	82516710.8600	46518351.4600	50104402.4600	74041349.4900	75487413.9400	64707991.8300	57856975.6000	40328305.1400	42656595.8900	39488969.1400	90167666.7400	60559070.5700	55684815.4000	83723018.7400	82575101.2000	51078228.8600	53636071.4000	55351613.8000	62154702.5700	40002195.0000	91268895.5400	20286477.7100	77014787.3400	83706490.5100	85166498.7400	65720558.4000	71603341.0300	47940418.5100	51479187.6600	89283104.0000	95914608.9100	32993237.8300	38691384.4000	11693517.0900	15452266.4300	71750048.7700	72199091.3700	19387706.2000	19096850.3100	90881549.7100	89490717.7100	43451006.8600	47599875.2000	39327660.7400	55130596.0300	69991107.4300	64647851.5100	75299647.2900	74406518.8600	65095906.5100	67855290.0000	77866906.4000	70123828.1100	42147626.0600	78548645.9400	43627392.1400	45062881.1400	50406255.7400	55446345.5700	75728972.8000	74565521.9100	9344000.8000	9209129.4860	55748084.2000	57688100.1100	81873938.2900	85410375.7700	32142446.6600	47201452.7100	60152782.3400	60316949.2600	40811379.2000	96795160.9100	72096526.8000	73535544.9100	52304435.7100	48106648.8900	72759356.1100	84761675.4300	49966555.6200	52521284.7300	54619127.3900	5739700.7100	6411250.4460	5484974.9180	94688962.6400	95165604.5100	99498378.2700	10606596.6000	10793553.7100	10720476.2500	25152581.8900	27531409.0000	26787175.7000	76079584.0000	80027298.7400	52573750.5100	53131640.5100	94704903.3100	41209748.5700	75515052.8000	71688875.8900	25007454.1700	24904943.0900	86750935.7700	43022672.9100	50586154.2300	56765282.2300	21076179.6600	25399570.5100	68372042.0600	63635642.7400	63772099.2000	66023365.1400	45359688.6900	43896104.0000	82853247.9400	86326244.5700	65951677.2600	61742875.8900	53194471.7700	83810696.2300	48157677.5100	51085084.3400	60257772.0000	54478827.2000	29759086.0900	23925729.0900	12684921.3100	14857122.9100	61321191.2900	73139988.5700	17106903.7100	15964937.0000	53180039.3100	51580139.8900	41279000.6900	105060605.3000	40623713.8600	53786202.4900	81731111.3100	85543709.2600	83976472.2300	84272733.9400	80892078.6300	79345119.5400	86648581.4900	87152970.5100	26385573.0000	48163693.4900	47076781.3100	47069075.9100	59761778.6000	54754444.5700	72518075.8900	71853409.3700	10345922.2900	11554376.1100	59748831.3400	60224914.2900	25718802.5100	48297268.5700	72804341.4900	67696933.6600	71955513.9700	70554682.9700	55474400.4600	57805277.7100	96476099.6600	91813213.7100	49160116.7700	52696285.7100	68218897.1400	81654595.7700	51171989.2500	51050298.5500	52790476.3200	4932969.2090	5593681.1040	5386811.3710
pyruvic acid	3777189.8290	1724054.9280	3713651.5040	1189635.0680	1243422.9850	1092618.1080	1141186.9320	1296388.7080	1281117.2200	1900015.5140	3339954.6290	1970347.9710	2251066.6860	1507745.8290	3900032.4000	1825692.8860	1495223.6290	2010893.6570	1965206.6860	2677056.5710	2658846.5430	858863.7714	1137898.9140	2512729.0860	2176663.2000	6705417.2290	6889680.0290	269594.6286	3757027.3140	1702995.6860	1583691.4000	21166690.9700	49187128.7400	474814.5143	1837009.3710	4469832.7430	2545843.8290	1445668.0860	966156.2286	1681733.4000	1311040.3140	962081.1714	655305.1143	420832.4286	517897.4000	2163804.5430	1340315.6570	609325.1429	581193.6857	3270587.6570	3189977.0290	782976.3143	145405.2857	1628332.6570	2191609.1140	605656.2286	679940.3143	2668889.0570	2769891.3710	849439.4571	852333.4857	3097915.1140	1939382.8290	2698838.4860	336077.3429	1739120.2000	1677461.2000	1166595.5430	1222168.3710	2137168.2290	186022.6857	401192.8286	366470.9714	1994374.8570	1062395.3710	2138408.2290	3521293.5710	264389.3714	807607.5429	1815776.0860	1987772.9710	2428102.2000	2095153.1140	1773719.1430	1914924.0860	1263112.4290	2538889.6290	3166652.4000	3422337.4290	1337297.5610	2103913.5940	2807211.6800	1164248.5140	1135421.9710	1172762.6750	4426241.9570	2250527.6160	28946677.0500	1018800.8030	1001626.8140	1058932.5920	1266173.7520	1349568.4060	1319442.3990	2808554.7430	3096597.4290	1699472.8860	1855677.1710	4010171.5430	3644038.4290	1480170.9710	1461572.7710	2038680.4290	2017374.9140	2360870.2290	2755990.6000	762042.3714	938668.0000	2283063.7710	3178112.0290	6718062.5710	6153600.9140	3526030.4290	4051442.2290	1739043.9430	5007251.1430	4973477.7710	5886116.2000	2435695.6000	2258721.0860	4920563.8290	4420560.8000	1219324.3710	1311062.5140	8702187.0290	3555140.2570	541100.1714	5945.0857	323460.3714	387576.3714	1312616.6290	1790633.7710	375379.8000	362066.2000	4006995.3710	3758254.2860	694819.4571	2052555.5140	1393536.1710	1823649.1140	897971.6857	1065533.5140	3145469.8290	3176273.9430	1295298.0570	1158134.9430	2522152.9710	2562040.7430	2882987.3710	2940371.8290	776858.7429	1381261.8570	1113846.8570	1222120.6290	1904066.2290	1883170.0000	330985.9143	375291.0857	1932667.5710	2201396.8860	4072250.0860	4194862.3430	1172523.5430	658103.6857	1968317.2860	1909957.6860	2908862.6000	3035115.5430	1161148.1430	2055820.8570	2128051.8570	2172375.1430	2255398.3430	3617671.7430	12265434.7800	12984328.9000	1665739.2630	933493.5931	959235.6839	991762.5888
quinic acid	80647217.2100	65902693.3400	79100531.5900	8050669.0870	10292420.3000	7841069.7300	26623193.4800	24961770.7200	25532592.9200	49596257.4100	48714818.5600	50824514.9500	4024893.0620	4592771.1710	3952275.6090	101122154.3000	107945700.6000	114436350.4000	6953648.9220	6830724.4480	7934445.9940	23044563.3300	27001285.9900	25557264.1400	53062038.5000	52635400.4000	54239483.1700	2746159.5780	3008066.2100	3009022.9380
ribitol	15860443.6400	12033185.3300	15616831.4000	1766768.7890	1909022.2920	1643280.5200	4385832.8350	4136865.3810	4747860.5310	52452544.0000	24679557.0300	9643566.6290	7344040.0000	13831928.0000	14714526.0600	11269682.7400	10127927.0600	9865749.9430	38174752.0000	37880662.0000	38883123.0000	8457879.0000	7512252.2570	29180159.3100	13109864.0000	11189649.5100	9919149.3710	18026822.4300	19268354.5100	24105063.7700	47928653.9400	14865842.9700	7592038.4000	14294328.6900	38016163.8900	30894458.2900	33533616.0000	8011832.0000	8716349.9430	49479102.0000	14438666.9700	3209660.0000	3802007.0000	5034047.0290	4608436.7140	6085106.2860	6177555.8860	4175429.6570	4158251.6290	37829672.0000	26665981.7700	27978016.2300	30806950.8600	9171172.6860	4732174.2290	32754992.0000	20140028.8000	9042082.0000	8750974.0000	8290976.6860	33994094.1700	9197418.0570	7682745.3710	10708365.7100	14231124.0000	11310393.4300	11175864.8600	10643665.8300	11984651.4300	24310940.5700	24088024.2300	913084.4000	905207.1714	6851145.0000	6921732.5710	38839361.6000	20615530.6300	6197763.9140	21578936.0000	7283484.0000	7518997.0000	19219152.9100	19208316.1100	12991403.4300	13038191.6300	7252541.0290	12474276.4000	11922583.0900	13661326.3400	8215438.8740	8489274.6870	9119724.9510	839944.4603	990410.0043	837541.3894	19817044.4900	20586090.9400	22077503.5800	1751889.1280	1758071.3720	1656060.8150	4440904.0260	4843542.2850	4941941.5860	11536992.0000	10389083.8900	8529068.0000	8838757.0000	18596976.0000	20069056.0000	13602952.4600	13586716.8000	13098880.0000	14359834.0000	77519721.0000	87290353.0000	6645233.0000	7805616.0000	16958987.8900	20527382.6300	13472544.0000	12406892.0000	8604568.0000	11162640.0000	15762408.0000	12827976.0000	13469801.1400	15038048.9100	30254818.7400	70493533.2600	45242018.7400	43116336.2300	8613691.0000	8981856.0000	19322040.0000	17002146.0000	2932795.3140	2367769.0290	1660779.6000	1809506.6290	5104728.0000	6638136.0000	1734142.4000	1745029.7710	36327232.2300	22008048.2300	29583348.1100	32901161.3700	4818414.0000	6747451.0000	22062568.4600	31141754.8600	11407304.0000	11186694.0000	12341151.5400	11658654.1700	11448050.0000	11421043.0000	13643816.0000	13520584.0000	14094237.0000	13062458.0000	14952397.0300	13437014.1700	6920896.0000	10600392.0000	914995.7714	1067529.0000	7034088.2860	7490292.4860	12719327.8900	13655724.9700	23856720.0000	18359449.6000	20714768.0000	9824374.7430	33677360.0000	33918480.0000	14374678.0000	10955128.2600	6466694.4290	6779543.9430	7176407.0000	17929967.4300	9686309.8270	9330859.2680	10000193.1200	696804.2598	919808.7975	766671.4965
ribose	7500543.0000	3690411.5700	6801836.7090	2101010.0040	2324642.9520	1921915.6680	3825233.3580	2442269.0000	4000816.4160	19390498.7400	17288559.0900	7412174.2860	8098680.2860	17336007.0300	17953548.0600	7269659.5430	6282662.4000	10723856.1100	11442819.4300	10541308.3400	10828024.6900	15368027.6600	13584125.5400	13938286.8600	12546020.3400	5393910.6000	5657930.4000	8273234.9140	9565735.1430	17053010.5100	15348391.0900	13819255.5400	10273660.2300	17136073.6000	18875412.3400	20843162.5100	21940921.1400	9837346.8570	10666585.8300	19344535.8300	20839520.0600	7187685.9140	8575135.7710	2396555.5710	2690401.7430	10041127.7100	10250812.1700	2366923.3430	2369945.0290	11375845.2600	10739912.9100	16899122.9700	18516171.2000	5664899.6000	7825968.1140	9006633.3140	7850024.8570	8490448.2290	8153716.1140	7308014.8000	7774735.2570	10578704.4600	8635680.5710	15236461.4900	10092243.3100	5883913.5430	5905634.9140	5365444.2290	5962012.1140	11842587.8900	11417021.3700	1142810.6000	1115294.8570	7092773.1430	7332682.2290	10932131.4000	11736733.0900	4169170.2570	6745156.4000	8933444.6290	9251816.2290	10670511.4300	11148612.5700	11014612.0000	11019848.8000	7649292.0570	6908828.3140	11040890.1700	13947113.2600	2746568.7860	4367867.0000	4651457.0000	1301343.5330	1413593.9280	1234999.5270	41969695.2600	43498308.8100	46927042.4500	4322136.4150	4188235.2530	4012768.1550	10301445.9200	11601687.4400	10900381.3600	17009834.0000	19513631.0900	7005644.0570	7467574.4000	16728334.0600	17210859.2000	7881688.3430	7595198.9140	12981114.2600	12657818.5100	10056413.2600	11620585.1400	10941073.6300	12845228.3100	14208314.4600	17543500.9100	7041250.7430	6426078.0000	10418383.6000	11218768.6900	16262544.2300	15810117.4900	13226789.1400	14681880.2300	28985333.4900	25926012.8000	27882073.1400	25254522.0600	9215756.5710	9681097.3140	22213324.6900	18596489.2600	6672871.1430	5391643.3430	2313075.9140	2595512.8000	8299376.3430	10957350.1700	2056227.1140	2128806.6860	13268159.8900	12342214.9100	16451498.9700	17426017.2600	5165552.2860	6870812.0860	11001086.1100	12093783.4900	9063136.5140	9070954.0000	9709783.5430	9101366.0570	9620384.1430	9614578.7710	14257650.0600	14154869.0300	5315935.0290	5323291.8860	7434801.6570	6586439.6570	8188813.1430	7974275.0290	984415.6000	1132120.7710	5956885.9710	6335468.9140	10957574.2900	11019442.5100	9759511.0860	8892465.2000	9743184.5140	9368311.3140	15815532.5700	16457012.5700	14216829.1400	13086321.0300	5645707.0860	6445786.0570	6778210.0570	9069697.3140	22395009.4400	21389289.9100	22381703.7500	1779724.1370	2138691.9670	2006230.4530
succinic acid	956041.4312	627922.9218	998509.9183	0.0000	137682.6475	62815.6991	363867.3890	336371.9299	402137.7463	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	404400.4230	738582.9318	759420.6733	0.0000	35115.5504	0.0000	755312.3974	683522.0721	568507.1854	60845.5503	69152.1932	70731.8266	169545.4414	141416.7683	193097.4442	1800602.8570	2158344.1140	0.0000	0.0000	0.0000	0.0000	1183048.6860	1642078.8570	1469461.6000	1499993.7140	0.0000	0.0000	592580.4571	607701.2571	1128682.5140	1027021.3710	985375.9429	1159255.4860	121140.5143	0.0000	0.0000	894366.7143	1524465.4860	0.0000	0.0000	772739.2000	0.0000	0.0000	1015394.9140	1056186.8570	0.0000	0.0000	341456.8286	301893.0571	336313.5429	375087.2857	536769.7143	439422.7429	317435.7429	336159.2571	7865501.2570	0.0000	3994923.8860	4431627.4290	384492.5143	0.0000	0.0000	0.0000	0.0000	0.0000	776149.0286	794761.9429	1005892.8000	1030839.4290	1648538.7430	1826125.3710	685894.8000	634722.5714	709779.6000	673252.9143	809133.8286	791795.6286	214805.0286	232901.0571	554083.0857	559880.2857	0.0000	0.0000	0.0000	0.0000	0.0000	1158932.9140	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	346833.5590	332510.7536	373321.6259	38852.8407	30534.0539	29464.1426
sucrose	48227400.2300	34186945.8400	49275735.6500	4784713.0320	5117022.5510	5093326.0390	11844509.5400	11047826.3100	12197746.4800	9410614.6290	8526546.6290	6527168.5140	6951311.2570	10155584.3400	10987227.3100	19391060.4600	16867918.6900	95359343.8900	97860151.8900	14807408.0600	14919924.9400	55465574.4300	52198437.6600	97523906.6900	98412550.7400	1028247.6570	1050006.4570	65635490.7400	75083246.8600	58709102.1700	54506847.3100	74364911.7700	103097885.3000	31277232.0000	113040396.6000	71893939.2000	72453004.8000	27616033.3700	29839765.9400	6393812.5710	7102126.2290	1347953.3430	1571484.1710	4699694.0000	5497557.4290	113314951.3000	63634436.5100	28408614.5700	28001176.1100	18541018.9700	17963422.9700	4010716.5140	4280785.9430	10995910.6900	16252180.9100	12215334.0600	10899674.6300	82749834.2000	81615898.3400	23042529.8300	25035077.3700	81820216.0000	72154157.9700	79021975.0900	62542696.6600	2337977.4860	2387209.3140	8237739.4290	8835291.9710	12411978.4000	12349528.0000	246142.7714	182830.1143	1232244.0000	1397410.7710	1439773.0860	1544428.8000	1258934.0570	1810970.1710	5570265.2570	5563378.1710	13441658.6300	14283133.3700	3287902.6290	3312391.5430	9451331.4290	8576388.2290	41944352.9100	53618813.3700	22707557.3400	26752555.0000	26965127.6500	2666790.1390	3207343.4030	2575007.8700	52896701.2000	52322973.9200	55397550.9800	5260828.4240	6119363.7350	5266526.9070	11423749.1700	12536741.4200	13065986.9400	8255047.5430	8714557.3140	7231326.8570	7341969.9430	16748511.5400	18241242.6300	22533417.8900	21362441.8900	104320084.1000	103819585.1000	15746213.1400	17353427.2000	46186724.7700	52060726.1400	102862037.9000	115110039.8000	1485893.8860	1378301.3710	82159750.4000	85894317.1700	64321300.1100	62739950.9700	55580396.3100	102044466.7000	53270260.1100	51359830.1700	92799680.0000	87172559.5400	28590335.2000	30552324.5700	9393809.4860	8602429.4860	1310239.2000	1053070.1140	5180916.4570	5699348.5430	104253821.1000	95389199.4300	27052949.1400	27504634.9100	25020944.1100	24537753.1400	3850230.4000	4583748.2290	12016983.6000	16858403.3100	15560985.7100	17017857.0900	94748198.0000	94708772.1700	32592766.0600	31336645.2600	124754101.5000	82418038.9100	93728178.4000	91550196.3400	3309831.6570	3261965.1140	9356236.4570	8565720.0000	12835484.6600	12822568.2900	217380.6857	281590.2000	1346892.4570	1415382.4860	2483545.8290	2464948.6860	3672343.3140	3282148.4000	7776011.8290	7589392.8000	20328857.3700	21001281.8300	5203615.2570	4850104.5710	9407681.7140	9790200.8000	38907737.2600	51626405.6600	24962230.8800	24553771.9300	25530929.0500	3087982.6760	3117788.9080	2998394.5950
tagatose	39380353.0000	30787752.0000	40684419.0000	5454078.8980	5700028.1810	4943437.9820	13679824.5700	13056280.7400	14582499.5500	21597533.0000	22271654.0000	23540350.0000	2660177.1290	3161905.8710	2720329.5310	15387947.0000	15860617.0000	23674578.7400	4980755.2340	4958951.7240	4806450.1710	11878046.8000	13502919.8400	13240306.2000	25552549.3700	23493414.6900	25622966.2100	2327677.2750	2759334.0530	2549961.4670
tartaric acid	2834598.6570	2378514.5870	2889746.3800	505708.9917	554015.9039	463418.2137	973940.4208	928602.6585	1056897.2060	1643072.3790	1850964.5930	1637771.1850	348586.5688	340877.6310	293927.3168	4658450.7040	4559167.3910	4612139.9010	527818.4439	529444.4808	489196.6593	1271531.8570	1324990.4050	1408068.5010	2646435.9600	2493489.0750	2602157.9170	226127.9763	260548.7497	243227.6449
trans-aconitic acid	15474788.2400	10318535.3700	15663131.8500	1311028.7390	1452692.0020	1147640.2920	3337943.7170	3171156.3710	3353633.1060	15894859.0300	13745541.3400	6419714.2000	7283936.0000	10859413.3700	10025857.6600	8585901.4860	7044149.0860	11823912.1700	13370660.2600	12563441.2000	16640686.5400	10295388.1100	8384252.0570	13094430.7400	11608865.7700	6791780.1140	7386222.1140	9016336.9710	12032750.6900	16531861.2600	16234555.2300	29956757.5400	22508118.4600	18220305.9400	20944754.5100	34218871.5400	37154914.4300	10211655.8300	10302696.8000	14570422.0600	15627982.8600	1880716.4000	2373515.4860	1736167.6860	2613546.7140	9445839.3140	8704710.4000	12683358.6600	13001409.6000	11898518.3400	11285451.5100	22828254.8600	25436238.1700	5818707.9430	7945503.4860	9163358.1710	6887165.8860	12014561.1400	11950693.8900	5671775.5140	6323985.2290	12862126.2300	9687090.2290	15565312.3400	10211703.6600	12634013.0900	13076484.7400	11794460.4900	13199706.0600	5282404.7430	5237802.2570	962588.6000	933366.1714	5491554.3710	5603271.0000	7287256.5710	8260485.3140	4239575.5140	6485481.2290	5559663.0290	5621014.6570	16533627.2000	16223802.0300	7431872.6290	7150005.9140	7954347.7710	7258102.5710	6506340.0570	9598495.5430	6601896.8760	7340158.6420	7221642.4090	749328.5881	786003.5298	698231.5436	16503627.9700	18137125.2400	20283282.9900	1468723.9800	1345657.9200	1338019.6980	3608188.2080	3837819.3890	3756562.4070	12045628.0900	14008107.8900	7196893.9140	7666775.4860	14948240.7400	14692157.3700	10948141.3400	10431133.6600	15458163.2600	14749717.9400	13413787.8300	15807481.6600	7020889.6570	8102878.9710	16236019.1100	20466403.6000	9870481.1430	8439144.8000	9658076.4000	14596751.7700	22968994.4000	25016036.5700	24702269.2600	28595742.2900	35117900.8000	37511461.2600	48352948.5700	43691376.4600	10202702.0900	10903478.2600	22660839.2000	18921874.1100	1831033.9710	1403627.4860	1861351.8860	2277484.8860	7958836.0290	11142004.2600	9613712.1430	10179069.2900	18157947.0600	16303757.1400	23538314.5100	24447150.4000	5554307.2000	7088966.6860	9475746.8570	10514837.1100	15278691.9700	15286035.9400	8183226.6860	8046135.9430	14338445.5400	14665312.2300	20179631.4000	20540649.6000	13621196.8300	14049946.9100	14740475.5400	13536789.8600	5138154.2570	4872601.6290	945165.0571	1285497.2000	5734935.3710	5130023.9710	12381483.6000	12362973.4000	13456772.3100	11810514.6600	8661258.0570	8726625.6860	23578868.3400	23442635.2000	11167829.3700	10117804.1700	7451289.0570	8496734.4290	5496607.6290	9808231.7710	8024523.9540	7836284.8980	8216705.9570	654198.8934	709792.4014	723226.5039
trimethyllysine	5073191.5500	4309468.1980	4887417.0560	749739.8508	758581.9586	642567.6920	1688599.3420	1646945.9020	1723645.1190	3297837.6150	2865583.3710	3233610.7250	363972.8662	370583.6842	367505.3257	7867303.4010	8058716.4600	8728948.0820	644955.1085	628465.1902	623765.2049	2111083.1300	2033587.1990	1697817.5190	4308003.6760	4446642.8330	4611576.9490	287153.8099	297487.1103	322049.9433
uracil	8991659.6040	8534814.9380	10504518.1100	686596.5678	707571.8097	605317.4154	19316.5311	1554990.2730	32102.4958	38548994.6300	24452734.8600	22541150.2300	22491333.4900	20314604.3400	17279403.2000	29361508.8900	22309165.4300	24297037.7100	46261573.6600	28505433.7400	23818109.0900	27093108.0300	22017446.8300	18974872.2300	21744693.2600	35559386.5100	30159218.2900	22200908.8000	13152005.8000	12888887.3100	483393.4857	25930747.4300	24716669.1400	16596203.1400	27699290.3100	32242839.2000	42363966.6300	18503244.1400	19410919.6000	22152022.6300	23315070.8600	25411743.7700	21231481.8300	764153.2000	862170.0286	24767493.4900	25855701.4900	1642063.2000	42166.7143	16868807.5400	29647691.4300	27307571.6600	25432825.6000	11012525.4900	17119561.9400	24582219.0300	17585957.8000	29716832.4600	28963093.0300	36408212.4600	50126356.1100	25506405.0300	31402498.9700	31108918.8600	18418774.0300	17182878.2900	33451188.1400	21905742.8000	23549149.2300	35763376.6300	29695193.6000	466165.2857	472700.1429	30246388.0000	20202029.7100	30093257.8900	22492976.2300	15973164.8000	20517153.0300	44425960.2900	24502648.5700	22714695.4300	26341693.0300	38671938.4000	12816281.6000	17214673.6000	17810308.7400	19290143.4600	25411263.8900	6018590.9490	5526548.0070	5910666.5860	450025.7008	455917.1404	452421.9514	6489009.4610	7210166.1260	7621686.9410	862649.7547	773686.7922	767226.9053	1477571.7980	1576150.0520	1508577.4770	4412187.9710	5017755.2570	1528355.0860	1599373.5140	10684438.3700	4125734.9430	3391591.9710	3253169.0860	6378504.5140	6176345.3140	2926244.4860	3592795.2290	972226.2571	1141562.2860	3105292.6000	4011927.2290	3671720.3430	3241995.3430	1758282.5140	1952832.5140	3121504.1710	3445360.1430	4712549.0000	5478784.1140	3773667.9140	4011329.5710	10209771.3100	9162072.9140	1037731.8000	1080251.2570	4340756.9430	3520279.4290	2064598.6290	1670164.3430	743904.6000	858631.1429	3526077.7430	4852810.6290	902030.0571	926040.0000	3707820.8290	3414607.2290	4558410.0290	4988157.3710	1124042.6860	1582033.5140	3296689.9710	3704630.3140	3677728.0860	3657836.7140	10679305.2900	10088623.4000	3976624.6860	3922461.5710	4050757.3710	4069073.5430	2112580.8290	2103289.3140	3172628.6290	2730718.8570	3378077.6000	3318847.1710	503064.6857	586305.8571	2920480.6570	3188262.6570	28112756.7400	25254828.3400	4030590.8570	3727179.8570	3722624.8290	3666305.1430	6103365.8290	6457331.2860	5804454.7430	5321766.1710	1214544.6000	1316926.2570	2909152.6860	4069104.6000	3695122.7360	3614950.9540	4027962.2720	723034.0515	655851.1755	606360.1275
urea (partial derivative)	3502334497.1100	3820518571.8550	3517748278.2300	1075151239.6835	1210765339.8675	902685525.4705	2780319585.8900	2726855675.4750	2762401970.6250	1067914699.0000	978373131.0000	984218719.0000	1063369394.0000	699109681.0000	718814234.0000	963100738.0000	801599776.0000	932459638.0000	1020501531.0000	986077620.0000	1003903894.0000	910053554.0000	810939011.0000	787822068.0000	697035670.0000	597067903.0000	664662545.0000	744302456.0000	943845558.0000	686801930.0000	607709794.0000	1023655892.0000	755115468.0000	923381775.0000	980285571.0000	925164230.0000	944646066.0000	801912952.0000	877356060.0000	900602987.0000	1003887281.0000	448165925.0000	573542663.0000	145821228.0000	185961601.0000	982902930.0000	1020925486.0000	410100112.0000	412323024.0000	928135228.0000	900256013.0000	808660743.0000	897192899.0000	607007505.0000	832942831.0000	873721997.0000	755214629.0000	853680996.0000	834728626.0000	894555791.0000	993499955.0000	1031304719.0000	822394389.0000	996474782.0000	564034079.0000	864427104.0000	921704653.0000	478393244.0000	523767264.0000	940973585.0000	919951702.0000	174060909.0000	171555309.0000	960758140.0000	1026830784.0000	881686011.0000	980201773.0000	510857298.0000	954350240.0000	909204993.0000	955979803.0000	1044568429.0000	1127808664.0000	939378919.0000	982275825.0000	950993201.0000	872555107.0000	703297471.0000	853830965.0000	3663545367.7600	3433297932.4250	3549939103.6550	420006291.4900	474862365.9565	451640231.0329	24709101.0000	23831295.0000	24358717.2619	9159465.5000	8870775.0000	12114310.5000	13864272.0000	12920848.5000	15589965.0000	0.0000	0.0000	0.0000	0.0000	297052184.0000	288505298.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	90708311.0000	81913032.0000	0.0000	0.0000	0.0000	0.0000	135313798.0000	161808486.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	406161810.0000	408710761.0000	216475580.0000	192605675.0000	44164049.0000	46364406.0000	0.0000	0.0000	276598175.0000	242741063.0000	80355334.0000	77460869.0000	197794803.0000	282920903.0000	20698835.8414	17875463.5000	17820901.0000	7075940.5000	7850309.5000	7899177.5000
uric acid	92365634.4000	334992573.1000	230581836.1000	64206057.9100	67460288.0000	60138618.0900	144435024.5000	140758435.6000	146544412.9000	89498631.0900	78589347.3100	69751194.3400	140601175.3000	81421224.8000	87481994.1100	129631764.0000	42534.8857	106733049.3000	83848340.1700	84917022.7700	142282772.9000	87836315.0900	64881778.5100	119074209.9000	118903121.7000	20827113.8300	91211385.6600	131752993.3000	46012928.6600	67866356.8300	54825.0000	107391431.8000	32177962.3400	157761277.1000	160230549.3000	187138901.7000	195298664.3000	71848401.2300	80909106.6300	74755232.3100	134184831.5000	91833880.6900	103026268.5000	37542720.0600	45744313.7400	104884180.1000	107445457.8000	66203900.9100	66644841.4300	56812549.2600	153822750.5000	78779724.0300	50050155.6900	55455207.8300	94662943.1400	116112158.9000	112183153.5000	99572052.5100	95586344.6300	23757355.4600	107392913.6000	70796321.6000	108467.7143	115145356.6000	131816868.9000	91266.9143	108250206.3000	100131619.0000	65119357.7700	132956867.4000	105751627.4000	23549870.8600	23590045.1100	110958147.1000	114184486.7000	64106870.6600	64659389.6600	42605153.1400	100471043.8000	84122918.2900	51756837.4900	68657939.6900	174547548.9000	108734007.5000	118417091.1000	105965215.2000	98790576.2300	52993555.9100	32484404.7700	142722323.5000	53097649.9800	234193609.9000	33892962.3300	38058840.3300	32812494.9500	368183360.2000	368764755.4000	381797771.8000	58784146.1500	56515142.6100	58062010.4100	125515807.4000	139504203.1000	135759578.1000	104629747.7000	86330970.4000	107674897.6000	114115682.0000	67469733.2300	36193376.0900	90672122.2900	101101783.9000	155259059.5000	108521260.3000	142268885.9000	59219356.5100	56963.5714	85290786.6300	88040941.9100	102428254.5000	99874889.5400	87803337.1400	122548485.9000	122028208.1000	172243.0000	115116700.1000	20607900.0600	76564218.0600	183509218.9000	136699425.5000	958535.0000	41887196.9100	74585298.6300	83874126.8600	133138463.3000	131317308.6000	84888548.1100	71029580.4000	37063059.1400	41651809.7100	104277290.0000	37563444.0900	56663444.8600	56216173.2600	144691378.6000	145948189.1000	244630.0000	74496817.7400	28694914.5100	107589028.0000	68563105.1400	126754161.0000	116256949.6000	96706682.1700	122810380.1000	121368169.2000	134780832.6000	61218681.8900	119085395.7000	86728242.0900	48030.8286	59132.7429	114072226.6000	39512992.8300	104912365.5000	101802697.4000	24142742.1100	27586687.0300	108323258.2000	109486697.2000	67343598.2900	173037226.5000	115017046.4000	105682055.9000	87448092.5700	83344447.5400	173015972.3000	170937579.1000	129302773.6000	125286124.3000	70911778.8000	125172298.8000	58570179.4900	71695247.0900	227829927.0000	223416970.8000	231090132.8000	27233083.1200	31071754.1100	30481561.8000
xanthine	81082.0571	66379.2571	3745833.2290	4085527.0860	20251.8000	0.0000	5055168.8570	4202993.5430	7303895.7140	8063503.2860	0.0000	0.0000	4621885.8000	4078971.7710	10040358.3700	9377866.2860	8598299.9710	9014789.1140	3784087.4290	4459547.6000	6627671.6860	5948744.3140	0.0000	0.0000	6085073.3140	6459604.4000	13547853.6900	14135104.0600	0.0000	3076038.6570	0.0000	7836171.8860	3523076.7140	4186175.3140	6497.0571	0.0000	4792385.4000	4994667.9140	1795193.6570	1760599.6860	6822140.9140	6508956.1140	12793492.5700	14321996.5700	0.0000	2680487.2000	2497647.9140	2140933.9710	4914027.7140	4936097.2860	3025361.8290	3314643.9710	4057174.9140	3248663.6290	4811136.6000	3160144.3140	1999120.0290	2070126.6860	7728153.7140	8763600.6290	4955234.4290	5123671.2570	0.0000	0.0000	3347536.6290	3581486.8290	6958049.2570	7443578.5140	1620176.0860	2646416.6570	5066294.6860	5340102.6290	10360520.2300	10813886.9700	7902911.9710	7958804.5140	1348904.4860	1149678.1710	0.0000	3522147.0000	5864926.1140	6497286.3430	3833800.5140	3941153.5430	0.0000	11182.8286	5378875.3140	5087759.6290	8291824.7140	7989512.1710	6163562.9430	7144896.2290	3606177.6570	4249798.4000	10069756.2600	12738295.3700	10299050.2900	9192245.6290	4518099.1140	4888078.6570	7890809.9430	7851913.9140	0.0000	7621934.3710	9155154.5710	8393108.4290	16094720.2600	14779143.4600	0.0000	2913284.4570	0.0000	0.0000	3279660.6570	2489768.1140	0.0000	10990.0000	80968.6286	4847831.9140	1507679.1140	0.0000	6884089.5140	6563347.1430	12770831.3700	14314077.6300	1994660.0570	2723774.2570	2574396.0290	2529662.1430	5197294.0860	5197032.1430	3816254.5430	3585352.0000	4133657.9430	4273679.3430	4946684.6290	4978150.5430	2012427.3140	2149735.6290	9924099.0860	8845561.8570	4825288.8290	4739823.9430	0.0000	0.0000	3450579.6290	3718891.8000	8527462.0000	8511255.7140	3680660.4570	3454589.7710	5770946.4290	5612274.1140	11344690.7700	11569028.4600	10264592.8600	9204643.1710	139297.9429	1162635.3710	0.0000	0.0000
xanthosine	1578008.9300	1164044.9940	1626937.4640	140675.4412	135945.8681	148704.4339	335777.2954	324660.0695	356583.3648	998926.6000	868428.6000	520522.3429	591098.4571	832841.7429	876571.3429	819176.7429	688727.1429	843747.3714	933201.2857	1321785.9710	1359443.2570	240963.2571	176002.1429	1074528.0290	1259120.5430	850327.2286	852647.9429	507745.2571	628989.8286	1219837.2570	1044962.3710	4821197.3140	3723188.7140	716682.4000	680784.5143	1580987.3430	1606047.0860	435958.8000	441347.3714	876038.3429	1042992.0290	109445.7429	125388.2857	42165.0286	142544.4857	635557.2000	635693.2571	191777.0571	174635.5429	1014752.8860	989970.4000	1664931.7140	1824754.5710	280642.4571	505579.6000	591584.2857	553922.7143	705866.3714	696909.3714	568680.6286	617617.7429	685516.6286	539521.7429	760538.2571	539949.1714	368338.2000	404883.3714	0.0000	60588.8000	544083.1429	565150.2000	56403.4286	59403.2286	557257.7143	600173.9714	870028.7714	970403.1714	224254.9429	349629.4000	764415.3429	788897.3429	1138945.0290	1162663.9140	873616.3714	924246.6571	343160.6286	266234.9429	581682.2857	808540.3714	711379.5962	771692.7646	797056.4719	61851.0000	88143.7998	89590.6058	1498727.8300	1631304.4140	1841759.7230	166940.6240	166723.4831	117179.8766	278190.2905	330320.0576	304817.1091	780590.2571	837086.8857	573520.6286	522988.6857	1238258.9140	1332621.4860	953402.1429	851970.7429	1039142.9140	1006943.5140	1233622.4290	1498322.1710	168861.6286	208116.5429	1172724.4000	1372149.4570	1269544.5140	1065391.2860	671063.0571	701286.9714	1358152.4290	1332229.1430	4080503.2570	4344014.6570	1277323.9710	1585415.5430	1936255.2000	1740528.2000	433304.0571	451523.3714	1668587.8570	1438411.2860	107712.6286	87539.8571	96661.4286	141234.0857	579779.3714	677282.4000	150174.8286	85847.3429	1255091.6000	1218377.0290	1509874.1430	1778330.9430	322529.9429	473667.2286	829578.1143	862485.4286	839386.8286	903559.2571	901300.6857	874491.0286	813393.9143	905077.7143	948591.6286	903826.1143	413071.3143	306979.5429	97394.4000	0.0000	551114.8571	534823.0571	75989.3714	96726.8000	624680.0571	643568.3429	1361150.6290	1347204.7430	654396.0000	614094.8286	965203.2571	937741.9429	1476473.0290	1608078.1710	1398838.7430	1287354.1430	322392.0000	275793.8571	437705.2857	723740.7143	642757.9058	599353.7015	605702.8355	265759.5041	303855.6340	316738.9444
xanthurenic acid	2536895.6370	1970302.5260	2856101.9550	280464.7956	308824.6989	248659.2048	576973.3407	556379.9486	574511.8266	1205022.9230	1079886.1660	1232996.4180	219780.1371	194239.7779	162443.6047	3006027.3020	3316386.2400	3753172.4180	190377.8502	190349.1314	223739.9569	506591.9097	582160.6416	553687.9593	1208141.1520	1275499.4480	1258145.2850	67065.9809	75114.1007	81769.9128
xylitol	27721173.5600	21086908.1000	27405472.0100	2766052.8090	3100098.2780	2612840.4420	7245156.5230	6992223.3830	7667820.2930	14065915.4800	14897936.8600	15813146.7400	1311992.3340	1601884.9510	1307756.4330	27892716.1300	28376851.6200	30410067.8400	2468963.5290	2507513.1910	2365610.4260	6301486.9270	6737837.9080	6860482.2510	13563164.9800	13130757.1300	14024991.8000	1159131.1150	1332014.7590	1277099.1710
MS_METABOLITE_DATA_END
#METABOLITES
METABOLITES_START
metabolite_name	moverz_quant	ri	ri_type	pubchem_id	inchi_key	kegg_id	other_id	other_id_type
1,3-dihydroxyacetone				670			670	PNNL_ID
1-methyladenosine							27476	PNNL_ID
1-methyl-histidine				92105			92105	PNNL_ID
2,3-dihydroxybutanoic acid				250402			250402	PNNL_ID
2,3-dihydroxybutyric acid 1								PNNL_ID
2,3-dihydroxybutyric acid 2								PNNL_ID
2,3-dihydroxybutyric acid  2								PNNL_ID
2,4-dihydroxybutyric acid				192742			192742	PNNL_ID
2-butyne-1,4-diol				8066			8066	PNNL_ID
2-deoxyribonic acid				11528367			11528367	PNNL_ID
2-hydroxyacrylic acid				1014			37873	PNNL_ID
2-hydroxypyridine				8871			8871	PNNL_ID
2-keto-l-gluconic acid							3035456	PNNL_ID
2-methyl-3-hydroxybutyric acid				160471			160471	PNNL_ID
2-methyl-3-hydroxypropanoic acid				10192563				PNNL_ID
3-(3-hydroxyphenyl)-3-hydroxypropionic acid				102959			102959	PNNL_ID
3,4-dihydroxybutanoic acid				150929			150929	PNNL_ID
3,4-dihydroxybutyric acid				150929				PNNL_ID
3-hydroxy-3-methylglutaric acid				1662			1662	PNNL_ID
3-hydroxyphenylacetic acid				12122			12122	PNNL_ID
3-indoleacetic acid				802			802	PNNL_ID
3-methyl-3-hydroxybutyric acid								PNNL_ID
3-methyl-L-histidine				64969			64969	PNNL_ID
4-hydroxyphenylacetic acid				127			127	PNNL_ID
5-hydroxyindole-3-acetic acid							1826	PNNL_ID
7-methylguanine				11361			11361	PNNL_ID
7-methylxanthine				68374			68374	PNNL_ID
alpha ketoglutaric acid							51	PNNL_ID
aminomalonic acid				100714			100714	PNNL_ID
arabitol				94154			94154	PNNL_ID
benzoic acid				243			243	PNNL_ID
beta-alanine							239	PNNL_ID
carbonate ion				767				PNNL_ID
cholesterol							5997	PNNL_ID
citramalic acid				1081			1081	PNNL_ID
citric acid							311	PNNL_ID
creatinine							588	PNNL_ID
dehydroalanine				123991			123991	PNNL_ID
D (+) galactose							439357	PNNL_ID
D-glucose 1				64689			5793	PNNL_ID
DL-3-aminoisobutyric acid				64956			64956	PNNL_ID
DL-isoleucine				6306			791	PNNL_ID
D-lyxose				229			65550	PNNL_ID
D-malic acid				92824			92824	PNNL_ID
D-mannitol							6251	PNNL_ID
D-(+)-melezitose				22146589			92817	PNNL_ID
D-sorbitol				5780			5780	PNNL_ID
D-threitol				169019			169019	PNNL_ID
D-xylose 1							644160	PNNL_ID
ethanolamine				700			700	PNNL_ID
fructose				5984			5984	PNNL_ID
fumaric acid				444972			444972	PNNL_ID
galacturonic acid 1							152867	PNNL_ID
glucoheptonic acid							25588	PNNL_ID
gluconic acid				10690			10690	PNNL_ID
glucosylglycerol							70640512	PNNL_ID
glyceric acid				752			752	PNNL_ID
glycerol				11126194			753	PNNL_ID
glycerol-3-phosphate				439162			754	PNNL_ID
glycine				750			750	PNNL_ID
glycolic acid				757			757	PNNL_ID
hippuric acid 1							464	PNNL_ID
hypoxanthine							790	PNNL_ID
inositol				892			892	PNNL_ID
isohydroxybutyric acid								PNNL_ID
lactobionic acid				7314			7314	PNNL_ID
lactose 1							6134	PNNL_ID
L-alanine				5950			5950	PNNL_ID
L-cysteine				5862			5862	PNNL_ID
L-cystine 2							67678	PNNL_ID
leucrose				165577			165577	PNNL_ID
L-(-)-fucose				220001			17106	PNNL_ID
L-glutamic acid				33032			33032	PNNL_ID
L-glutamine				5961			5961	PNNL_ID
L-histidine				6274			6274	PNNL_ID
L-(+) lactic acid							107689	PNNL_ID
L-lysine				5962			5962	PNNL_ID
L-pyroglutamic acid				7405			7405	PNNL_ID
L-serine				5951			5951	PNNL_ID
L-threonic acid 1							5460407	PNNL_ID
L-threonine				6288			6288	PNNL_ID
L-tryptophan				6305			6305	PNNL_ID
L-valine				6287			6287	PNNL_ID
melibiose				440658			872	PNNL_ID
mucic acid				3037582			607	PNNL_ID
N-acetyl-D-mannosamine				65150			899	PNNL_ID
N-carbamyl-L-glutamic acid				3679006			3679006	PNNL_ID
N-methylanthranilic acid				67069			67069	PNNL_ID
N-methylglutamic acid				439377			268779	PNNL_ID
oxalic acid				18676629			971	PNNL_ID
pantothenic acid				11777341			6613	PNNL_ID
phosphate				45268009			1061	PNNL_ID
phosphoric acid				1004			1004	PNNL_ID
porphine				5481287			66868	PNNL_ID
pseudouridine				15047			15047	PNNL_ID
pyruvic acid							1060	PNNL_ID
quinic acid				6508			6508	PNNL_ID
ribitol							827	PNNL_ID
ribose				5779			5779	PNNL_ID
succinic acid				8036			1110	PNNL_ID
sucrose				5988			5988	PNNL_ID
tagatose				92092			92092	PNNL_ID
tartaric acid				875			875	PNNL_ID
trans-aconitic acid				444212			444212	PNNL_ID
trimethyllysine				440120			440121	PNNL_ID
uracil				12212752			1174	PNNL_ID
urea (partial derivative)							1176	PNNL_ID
uric acid							1175	PNNL_ID
xanthine							1188	PNNL_ID
xanthosine				64959			64959	PNNL_ID
xanthurenic acid				5699			5699	PNNL_ID
xylitol							6912	PNNL_ID
METABOLITES_END
#END