#METABOLOMICS WORKBENCH huntermoseley_20200821_191759 DATATRACK_ID:2136 STUDY_ID:ST001456 ANALYSIS_ID:AN002431 PROJECT_ID:000000
VERSION             	1
CREATED_ON             	August 26, 2020, 12:40 pm
#PROJECT
PR:PROJECT_TITLE                 	Metabolomics of lung injury after allogeneic hematopoietic cell transplantation
PR:PROJECT_SUMMARY               	Allogeneic hematopoietic cell transplantation (allo-HCT) is a potentially
PR:PROJECT_SUMMARY               	curative treatment option for a variety of hematological malignancies.
PR:PROJECT_SUMMARY               	Interactions between the donor immune system and the patient tissue result in a
PR:PROJECT_SUMMARY               	disease, called GVHD. The pathophysiology of acute GVHD can be hypothesized in
PR:PROJECT_SUMMARY               	three sequential phases: cytokine storm and activation of the antigen-presenting
PR:PROJECT_SUMMARY               	cells (APC), donor T cell activation and effector cell phase. Idiopathic
PR:PROJECT_SUMMARY               	pneumonia syndrome (IPS) is one of the most deleterious complications after
PR:PROJECT_SUMMARY               	allogeneic HCT and is considered not only to be related to conditioning regimen
PR:PROJECT_SUMMARY               	toxicity but also represents an end organ damage caused by allo-reactive T
PR:PROJECT_SUMMARY               	cells, therefore making the lung susceptible to a two-pronged attack, one of
PR:PROJECT_SUMMARY               	which overlaps with GVHD causing other target organ injury. IPS results in
PR:PROJECT_SUMMARY               	mortality of up to 90% of patients. We will use a murine model of IPS and GVHD
PR:PROJECT_SUMMARY               	which is well established in our group, and in which disease evolves either
PR:PROJECT_SUMMARY               	across disparities in major histocompatibility complex (MCH) class I and II,
PR:PROJECT_SUMMARY               	minor histocompatibility antigens (miHags) or both. Metabolomics changes
PR:PROJECT_SUMMARY               	following syngeneic and allogeneic HCT at post-transplantation Days +7 (cytokine
PR:PROJECT_SUMMARY               	storm phase) and Days +42 (cellular effector phase) are compared to baseline
PR:PROJECT_SUMMARY               	wild-type (naive) controls. Prior to analysis, naïve - and experimental mice
PR:PROJECT_SUMMARY               	(N=3 from each group) were fed with semi-liquid diet supplemented with tracers
PR:PROJECT_SUMMARY               	(13C6-glucose ) over 24 hours. At the end of 7 days or 42 days, respectively,
PR:PROJECT_SUMMARY               	feces and aGVHD target organs (colon, liver and lung) were collected from all
PR:PROJECT_SUMMARY               	groups and further processed and / or analyzed. We expect to reveal metabolic
PR:PROJECT_SUMMARY               	pathways affected after allo-HCT which contribute to immune cell mediated lung
PR:PROJECT_SUMMARY               	injury (IPS) and will potentially identify different metabolic pathways in other
PR:PROJECT_SUMMARY               	GVHD target organs.
PR:INSTITUTE                     	University of Kentucky
PR:DEPARTMENT                    	Markey Cancer Center, Hematology and Blood and Marrow Transplant
PR:LAST_NAME                     	Hildebrandt
PR:FIRST_NAME                    	Gerhard
PR:ADDRESS                       	Gerhard C. Hildebrandt, MD, Room no. CC401A, Ben Roach Building, Markey Cancer
PR:ADDRESS                       	Center University of Kentucky, Lexington, 40536
PR:EMAIL                         	gerhard.hildebrandt@uky.edu
PR:PHONE                         	800-333-8874
#STUDY
ST:STUDY_TITLE                   	Metabolomics of lung injury after allogeneic hematopoietic cell transplantation
ST:STUDY_TITLE                   	- Liver NMR HSQC
ST:STUDY_TYPE                    	preliminary data
ST:STUDY_SUMMARY                 	Allogeneic hematopoietic cell transplantation (allo-HCT) is a potentially
ST:STUDY_SUMMARY                 	curative treatment option for a variety of hematological malignancies.
ST:STUDY_SUMMARY                 	Interactions between the donor immune system and the patient tissue result in a
ST:STUDY_SUMMARY                 	disease, called GVHD. The pathophysiology of acute GVHD can be hypothesized in
ST:STUDY_SUMMARY                 	three sequential phases: cytokine storm and activation of the antigen-presenting
ST:STUDY_SUMMARY                 	cells (APC), donor T cell activation and effector cell phase. Idiopathic
ST:STUDY_SUMMARY                 	pneumonia syndrome (IPS) is one of the most deleterious complications after
ST:STUDY_SUMMARY                 	allogeneic HCT and is considered not only to be related to conditioning regimen
ST:STUDY_SUMMARY                 	toxicity but also represents an end organ damage caused by allo-reactive T
ST:STUDY_SUMMARY                 	cells, therefore making the lung susceptible to a two-pronged attack, one of
ST:STUDY_SUMMARY                 	which overlaps with GVHD causing other target organ injury. IPS results in
ST:STUDY_SUMMARY                 	mortality of up to 90% of patients. We will use a murine model of IPS and GVHD
ST:STUDY_SUMMARY                 	which is well established in our group, and in which disease evolves either
ST:STUDY_SUMMARY                 	across disparities in major histocompatibility complex (MCH) class I and II,
ST:STUDY_SUMMARY                 	minor histocompatibility antigens (miHags) or both. Metabolomics changes
ST:STUDY_SUMMARY                 	following syngeneic and allogeneic HCT at post-transplantation Days +7 (cytokine
ST:STUDY_SUMMARY                 	storm phase) and Days +42 (cellular effector phase) are compared to baseline
ST:STUDY_SUMMARY                 	wild-type (naive) controls. Prior to analysis, naïve - and experimental mice
ST:STUDY_SUMMARY                 	(N=3 from each group) were fed with semi-liquid diet supplemented with tracers
ST:STUDY_SUMMARY                 	(13C6-glucose ) over 24 hours. At the end of 7 days or 42 days, respectively,
ST:STUDY_SUMMARY                 	feces and aGVHD target organs (colon, liver and lung) were collected from all
ST:STUDY_SUMMARY                 	groups and further processed and / or analyzed. We expect to reveal metabolic
ST:STUDY_SUMMARY                 	pathways affected after allo-HCT which contribute to immune cell mediated lung
ST:STUDY_SUMMARY                 	injury (IPS) and will potentially identify different metabolic pathways in other
ST:STUDY_SUMMARY                 	GVHD target organs.
ST:INSTITUTE                     	University of Kentucky
ST:DEPARTMENT                    	MCC
ST:LAST_NAME                     	Hildebrandt
ST:FIRST_NAME                    	Gerhard
ST:ADDRESS                       	CTW-453, 900 South Limestone street. UKY. Lexington, Kentucky-40536
ST:EMAIL                         	gerhard.hildebrandt@uky.edu
ST:PHONE                         	800-333-8874
#SUBJECT
SU:SUBJECT_TYPE                  	Mammal
SU:SUBJECT_SPECIES               	Mus musculus
SU:TAXONOMY_ID                   	10090
#SUBJECT_SAMPLE_FACTORS:         	SUBJECT(optional)[tab]SAMPLE[tab]FACTORS(NAME:VALUE pairs separated by |)[tab]Raw file names and additional sample data
SUBJECT_SAMPLE_FACTORS           	-	07_C1-1_Liver_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A	Treatment Protocol:allogenic	lineage_1=07_C1-1_allogenic_42days_UKy_GCH_rep1; protocol.id=['allogenic']; replicate=1; species=Mus musculus; species_type=Mouse; taxonomy_id=10090; time_point=42; lineage_2=07_C1-1_Liver_allogenic_42days_170427_UKy_GCH_rep1; protocol.id=['mouse_tissue_collection', 'tissue_quench', 'frozen_tissue_grind']; lineage_3=07_C1-1_Liver_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A; protocol.id=['polar_extraction', 'NMR_file_storage67']; replicate=1; replicate%type=analytical; type=cell_extract; weight=0.3718; weight%units=g; lineage_4=07_C1-1_Liver_allogenic_42days_170427_UKy_GCH_rep1-protein; protein_weight=1.1018298457977784; protein_weight%units=mg; protocol.id=['protein_extraction']; RAW_FILE_NAME=07_C1-1_13C6-Glc_UKy_GCH_Ms_liver_gHSQCAD_01.fid/fid
SUBJECT_SAMPLE_FACTORS           	-	15_C1-20_Liver_allogenic_7days_170427_UKy_GCH_rep3-polar-NMR_A	Treatment Protocol:allogenic	lineage_1=15_C1-20_allogenic_7days_UKy_GCH_rep3; protocol.id=['allogenic']; replicate=3; species=Mus musculus; species_type=Mouse; taxonomy_id=10090; time_point=7; lineage_2=15_C1-20_Liver_allogenic_7days_170427_UKy_GCH_rep3; protocol.id=['mouse_tissue_collection', 'tissue_quench', 'frozen_tissue_grind']; lineage_3=15_C1-20_Liver_allogenic_7days_170427_UKy_GCH_rep3-polar-NMR_A; protocol.id=['polar_extraction', 'NMR_file_storage75']; replicate=1; replicate%type=analytical; type=cell_extract; weight=0.3895; weight%units=g; lineage_4=15_C1-20_Liver_allogenic_7days_170427_UKy_GCH_rep3-protein; protein_weight=1.1606039340615675; protein_weight%units=mg; protocol.id=['protein_extraction']; RAW_FILE_NAME=15_C1-20_13C6-Glc_UKy_GCH_Ms_liver_gHSQCAD_01.fid/fid
SUBJECT_SAMPLE_FACTORS           	-	12_B1-2_Liver_syngenic_7days_170427_UKy_GCH_rep3-polar-NMR_A	Treatment Protocol:syngenic	lineage_1=12_B1-2_syngenic_7days_UKy_GCH_rep3; protocol.id=['syngenic']; replicate=3; species=Mus musculus; species_type=Mouse; taxonomy_id=10090; time_point=7; lineage_2=12_B1-2_Liver_syngenic_7days_170427_UKy_GCH_rep3; protocol.id=['mouse_tissue_collection', 'tissue_quench', 'frozen_tissue_grind']; lineage_3=12_B1-2_Liver_syngenic_7days_170427_UKy_GCH_rep3-polar-NMR_A; protocol.id=['polar_extraction', 'NMR_file_storage72']; replicate=1; replicate%type=analytical; type=cell_extract; weight=0.2769; weight%units=g; lineage_4=12_B1-2_Liver_syngenic_7days_170427_UKy_GCH_rep3-protein; protein_weight=0.2978170715225778; protein_weight%units=mg; protocol.id=['protein_extraction']; RAW_FILE_NAME=['12_B1-2_13C6-Glc_UKy_GCH_Ms_liver_PRESAT_01.fid', '12_B1-2_13C6-Glc_UKy_GCH_Ms_liver_gHSQCAD_01.fid']
SUBJECT_SAMPLE_FACTORS           	-	05_B1_Liver_syngenic_42days_170427_UKy_GCH_rep2-polar-NMR_A	Treatment Protocol:syngenic	lineage_1=05_B1_syngenic_42days_UKy_GCH_rep2; protocol.id=['syngenic']; replicate=2; species=Mus musculus; species_type=Mouse; taxonomy_id=10090; time_point=42; lineage_2=05_B1_Liver_syngenic_42days_170427_UKy_GCH_rep2; protocol.id=['mouse_tissue_collection', 'tissue_quench', 'frozen_tissue_grind']; lineage_3=05_B1_Liver_syngenic_42days_170427_UKy_GCH_rep2-polar-NMR_A; protocol.id=['polar_extraction', 'NMR_file_storage65']; replicate=1; replicate%type=analytical; type=cell_extract; weight=0.3869; weight%units=g; lineage_4=05_B1_Liver_syngenic_42days_170427_UKy_GCH_rep2-protein; protein_weight=0.8729838077879587; protein_weight%units=mg; protocol.id=['protein_extraction']; RAW_FILE_NAME=05_B1_13C6-Glc_UKy_GCH_Ms_liver_gHSQCAD_01.fid/fid
SUBJECT_SAMPLE_FACTORS           	-	11_B1-1_Liver_syngenic_7days_170427_UKy_GCH_rep2-polar-NMR_A	Treatment Protocol:syngenic	lineage_1=11_B1-1_syngenic_7days_UKy_GCH_rep2; protocol.id=['syngenic']; replicate=2; species=Mus musculus; species_type=Mouse; taxonomy_id=10090; time_point=7; lineage_2=11_B1-1_Liver_syngenic_7days_170427_UKy_GCH_rep2; protocol.id=['mouse_tissue_collection', 'tissue_quench', 'frozen_tissue_grind']; lineage_3=11_B1-1_Liver_syngenic_7days_170427_UKy_GCH_rep2-polar-NMR_A; protocol.id=['polar_extraction', 'NMR_file_storage71']; replicate=1; replicate%type=analytical; type=cell_extract; weight=0.3842; weight%units=g; lineage_4=11_B1-1_Liver_syngenic_7days_170427_UKy_GCH_rep2-protein; protein_weight=1.0584918601501316; protein_weight%units=mg; protocol.id=['protein_extraction']; RAW_FILE_NAME=['11_B1-1_13C6-Glc_UKy_GCH_Ms_liver_PRESAT_01.fid', '11_B1-1_13C6-Glc_UKy_GCH_Ms_liver_gHSQCAD_01.fid']
SUBJECT_SAMPLE_FACTORS           	-	02_A1_Liver_naive_0days_170427_UKy_GCH_rep2-polar-NMR_A	Treatment Protocol:naive	lineage_1=02_A1_naive_0days_UKy_GCH_rep2; protocol.id=['naive']; replicate=2; species=Mus musculus; species_type=Mouse; taxonomy_id=10090; time_point=-; lineage_2=02_A1_Liver_naive_0days_170427_UKy_GCH_rep2; protocol.id=['mouse_tissue_collection', 'tissue_quench', 'frozen_tissue_grind']; lineage_3=02_A1_Liver_naive_0days_170427_UKy_GCH_rep2-polar-NMR_A; protocol.id=['polar_extraction', 'NMR_file_storage62']; replicate=1; replicate%type=analytical; type=cell_extract; weight=0.3831; weight%units=g; lineage_4=02_A1_Liver_naive_0days_170427_UKy_GCH_rep2-protein; protein_weight=1.2532242979132797; protein_weight%units=mg; protocol.id=['protein_extraction']; RAW_FILE_NAME=['02_A1_13C6-Glc_UKy_GCH_Ms_liver_PRESAT_01.fid', '02_A1_13C6-Glc_UKy_GCH_Ms_liver_gHSQCAD_01.fid']
SUBJECT_SAMPLE_FACTORS           	-	06_B2_Liver_syngenic_42days_170427_UKy_GCH_rep3-polar-NMR_A	Treatment Protocol:syngenic	lineage_1=06_B2_syngenic_42days_UKy_GCH_rep3; protocol.id=['syngenic']; replicate=3; species=Mus musculus; species_type=Mouse; taxonomy_id=10090; time_point=42; lineage_2=06_B2_Liver_syngenic_42days_170427_UKy_GCH_rep3; protocol.id=['mouse_tissue_collection', 'tissue_quench', 'frozen_tissue_grind']; lineage_3=06_B2_Liver_syngenic_42days_170427_UKy_GCH_rep3-polar-NMR_A; protocol.id=['polar_extraction', 'NMR_file_storage66']; replicate=1; replicate%type=analytical; type=cell_extract; weight=0.3762; weight%units=g; lineage_4=06_B2_Liver_syngenic_42days_170427_UKy_GCH_rep3-protein; protein_weight=0.7304291414016; protein_weight%units=mg; protocol.id=['protein_extraction']; RAW_FILE_NAME=06_B2_13C6-Glc_UKy_GCH_Ms_liver_gHSQCAD_01.fid/fid
SUBJECT_SAMPLE_FACTORS           	-	01_A0_Liver_naive_0days_170427_UKy_GCH_rep1-polar-NMR_A	Treatment Protocol:naive	lineage_1=01_A0_naive_0days_UKy_GCH_rep1; protocol.id=['naive']; replicate=1; species=Mus musculus; species_type=Mouse; taxonomy_id=10090; time_point=-; lineage_2=01_A0_Liver_naive_0days_170427_UKy_GCH_rep1; protocol.id=['mouse_tissue_collection', 'tissue_quench', 'frozen_tissue_grind']; lineage_3=01_A0_Liver_naive_0days_170427_UKy_GCH_rep1-polar-NMR_A; protocol.id=['polar_extraction', 'NMR_file_storage61']; replicate=1; replicate%type=analytical; type=cell_extract; weight=0.3792; weight%units=g; lineage_4=01_A0_Liver_naive_0days_170427_UKy_GCH_rep1-protein; protein_weight=0.9698575961126314; protein_weight%units=mg; protocol.id=['protein_extraction']; RAW_FILE_NAME=['01_A0_13C6-Glc_UKy_GCH_Ms_liver_PRESAT_01.fid', '01_A0_13C6-Glc_UKy_GCH_Ms_liver_gHSQCAD_01.fid']
SUBJECT_SAMPLE_FACTORS           	-	13_C1-1_Liver_allogenic_7days_170427_UKy_GCH_rep1-polar-NMR_A	Treatment Protocol:allogenic	lineage_1=13_C1-1_allogenic_7days_UKy_GCH_rep1; protocol.id=['allogenic']; replicate=1; species=Mus musculus; species_type=Mouse; taxonomy_id=10090; time_point=7; lineage_2=13_C1-1_Liver_allogenic_7days_170427_UKy_GCH_rep1; protocol.id=['mouse_tissue_collection', 'tissue_quench', 'frozen_tissue_grind']; lineage_3=13_C1-1_Liver_allogenic_7days_170427_UKy_GCH_rep1-polar-NMR_A; protocol.id=['polar_extraction', 'NMR_file_storage73']; replicate=1; replicate%type=analytical; type=cell_extract; weight=0.3884; weight%units=g; lineage_4=13_C1-1_Liver_allogenic_7days_170427_UKy_GCH_rep1-protein; protein_weight=0.5694947367563199; protein_weight%units=mg; protocol.id=['protein_extraction']; RAW_FILE_NAME=13_C1-1_13C6-Glc_UKy_GCH_Ms_liver_gHSQCAD_01.fid/fid
SUBJECT_SAMPLE_FACTORS           	-	10_B1-0_Liver_syngenic_7days_170427_UKy_GCH_rep1-polar-NMR_A	Treatment Protocol:syngenic	lineage_1=10_B1-0_syngenic_7days_UKy_GCH_rep1; protocol.id=['syngenic']; replicate=1; species=Mus musculus; species_type=Mouse; taxonomy_id=10090; time_point=7; lineage_2=10_B1-0_Liver_syngenic_7days_170427_UKy_GCH_rep1; protocol.id=['mouse_tissue_collection', 'tissue_quench', 'frozen_tissue_grind']; lineage_3=10_B1-0_Liver_syngenic_7days_170427_UKy_GCH_rep1-polar-NMR_A; protocol.id=['polar_extraction', 'NMR_file_storage70']; replicate=1; replicate%type=analytical; type=cell_extract; weight=0.3851; weight%units=g; lineage_4=10_B1-0_Liver_syngenic_7days_170427_UKy_GCH_rep1-protein; protein_weight=0.28991116453120014; protein_weight%units=mg; protocol.id=['protein_extraction']; RAW_FILE_NAME=10_B1-0_13C6-Glc_UKy_GCH_Ms_liver_gHSQCAD_01.fid/fid
SUBJECT_SAMPLE_FACTORS           	-	03_A2_Liver_naive_0days_170427_UKy_GCH_rep3-polar-NMR_A	Treatment Protocol:naive	lineage_1=03_A2_naive_0days_UKy_GCH_rep3; protocol.id=['naive']; replicate=3; species=Mus musculus; species_type=Mouse; taxonomy_id=10090; time_point=-; lineage_2=03_A2_Liver_naive_0days_170427_UKy_GCH_rep3; protocol.id=['mouse_tissue_collection', 'tissue_quench', 'frozen_tissue_grind']; lineage_3=03_A2_Liver_naive_0days_170427_UKy_GCH_rep3-polar-NMR_A; protocol.id=['polar_extraction', 'NMR_file_storage63']; replicate=1; replicate%type=analytical; type=cell_extract; weight=0.3664; weight%units=g; lineage_4=03_A2_Liver_naive_0days_170427_UKy_GCH_rep3-protein; protein_weight=1.6441784321516473; protein_weight%units=mg; protocol.id=['protein_extraction']; RAW_FILE_NAME=03_A2_13C6-Glc_UKy_GCH_Ms_liver_gHSQCAD_01.fid/fid
SUBJECT_SAMPLE_FACTORS           	-	14_C1-2_Liver_allogenic_7days_170427_UKy_GCH_rep2-polar-NMR_A	Treatment Protocol:allogenic	lineage_1=14_C1-2_allogenic_7days_UKy_GCH_rep2; protocol.id=['allogenic']; replicate=2; species=Mus musculus; species_type=Mouse; taxonomy_id=10090; time_point=7; lineage_2=14_C1-2_Liver_allogenic_7days_170427_UKy_GCH_rep2; protocol.id=['mouse_tissue_collection', 'tissue_quench', 'frozen_tissue_grind']; lineage_3=14_C1-2_Liver_allogenic_7days_170427_UKy_GCH_rep2-polar-NMR_A; protocol.id=['polar_extraction', 'NMR_file_storage74']; replicate=1; replicate%type=analytical; type=cell_extract; weight=0.3936; weight%units=g; lineage_4=14_C1-2_Liver_allogenic_7days_170427_UKy_GCH_rep2-protein; protein_weight=0.35634743380940803; protein_weight%units=mg; protocol.id=['protein_extraction']; RAW_FILE_NAME=14_C1-2_13C6-Glc_UKy_GCH_Ms_liver_gHSQCAD_01.fid/fid
SUBJECT_SAMPLE_FACTORS           	-	04_B0_Liver_syngenic_42days_170427_UKy_GCH_rep1-polar-NMR_A	Treatment Protocol:syngenic	lineage_1=04_B0_syngenic_42days_UKy_GCH_rep1; protocol.id=['syngenic']; replicate=1; species=Mus musculus; species_type=Mouse; taxonomy_id=10090; time_point=42; lineage_2=04_B0_Liver_syngenic_42days_170427_UKy_GCH_rep1; protocol.id=['mouse_tissue_collection', 'tissue_quench', 'frozen_tissue_grind']; lineage_3=04_B0_Liver_syngenic_42days_170427_UKy_GCH_rep1-polar-NMR_A; protocol.id=['polar_extraction', 'NMR_file_storage64']; replicate=1; replicate%type=analytical; type=cell_extract; weight=0.3483; weight%units=g; lineage_4=04_B0_Liver_syngenic_42days_170427_UKy_GCH_rep1-protein; protein_weight=0.8340488686911995; protein_weight%units=mg; protocol.id=['protein_extraction']; RAW_FILE_NAME=04_B0_13C6-Glc_UKy_GCH_Ms_liver_gHSQCAD_01.fid/fid
SUBJECT_SAMPLE_FACTORS           	-	09_C2-0_Liver_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A	Treatment Protocol:allogenic	lineage_1=09_C2-0_allogenic_42days_UKy_GCH_rep1; protocol.id=['allogenic']; replicate=1; species=Mus musculus; species_type=Mouse; taxonomy_id=10090; time_point=42; lineage_2=09_C2-0_Liver_allogenic_42days_170427_UKy_GCH_rep1; protocol.id=['mouse_tissue_collection', 'tissue_quench', 'frozen_tissue_grind']; lineage_3=09_C2-0_Liver_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A; protocol.id=['polar_extraction', 'NMR_file_storage69']; replicate=1; replicate%type=analytical; type=cell_extract; weight=0.3898; weight%units=g; lineage_4=09_C2-0_Liver_allogenic_42days_170427_UKy_GCH_rep1-protein; protein_weight=1.507104667608952; protein_weight%units=mg; protocol.id=['protein_extraction']; RAW_FILE_NAME=09_C2-0_13C6-Glc_UKy_GCH_Ms_liver_gHSQCAD_01.fid/fid
SUBJECT_SAMPLE_FACTORS           	-	08_C1-2_Liver_allogenic_42days_170427_UKy_GCH_rep2-polar-NMR_A	Treatment Protocol:allogenic	lineage_1=08_C1-2_allogenic_42days_UKy_GCH_rep2; protocol.id=['allogenic']; replicate=2; species=Mus musculus; species_type=Mouse; taxonomy_id=10090; time_point=42; lineage_2=08_C1-2_Liver_allogenic_42days_170427_UKy_GCH_rep2; protocol.id=['mouse_tissue_collection', 'tissue_quench', 'frozen_tissue_grind']; lineage_3=08_C1-2_Liver_allogenic_42days_170427_UKy_GCH_rep2-polar-NMR_A; protocol.id=['polar_extraction', 'NMR_file_storage68']; replicate=1; replicate%type=analytical; type=cell_extract; weight=0.3729; weight%units=g; lineage_4=08_C1-2_Liver_allogenic_42days_170427_UKy_GCH_rep2-protein; protein_weight=1.6422993603789873; protein_weight%units=mg; protocol.id=['protein_extraction']; RAW_FILE_NAME=08_C1-2_13C6-Glc_UKy_GCH_Ms_liver_gHSQCAD_01.fid/fid
#COLLECTION
CO:COLLECTION_SUMMARY            	Mouse is sacrificed and tissues are harvested.
CO:COLLECTION_PROTOCOL_ID        	mouse_tissue_collection
CO:SAMPLE_TYPE                   	Multiple tissues
#TREATMENT
TR:TREATMENT_SUMMARY             	Mouse with allogenic bone marrow transplant. Fed with semi-liquid diet
TR:TREATMENT_SUMMARY             	supplemented with fully labeled glucose for 24 hours before harvest. Mouse with
TR:TREATMENT_SUMMARY             	no treatment. Fed with semi-liquid diet supplemented with fully labeled glucose
TR:TREATMENT_SUMMARY             	for 24 hours before harvest. Mouse with syngenic bone marrow transplant. Fed
TR:TREATMENT_SUMMARY             	with semi-liquid diet supplemented with fully labeled glucose for 24 hours
TR:TREATMENT_SUMMARY             	before harvest.
TR:TREATMENT_PROTOCOL_ID         	allogenic naive syngenic
#SAMPLEPREP
SP:SAMPLEPREP_SUMMARY            	Polar extraction from homogenate, lypholized, and frozen. Tissue is frozen in
SP:SAMPLEPREP_SUMMARY            	liquid nitrogen to stop metabolic processes. Frozen tissue is ground in a SPEX
SP:SAMPLEPREP_SUMMARY            	grinder under liquid nitrogen to homogenize the sample. Protein extraction and
SP:SAMPLEPREP_SUMMARY            	quantification.
SP:SAMPLEPREP_PROTOCOL_ID        	polar_extraction; frozen_tissue_grind; protein_extraction; tissue_quench
SP:SAMPLEPREP_PROTOCOL_FILENAME  	4D_17Jun4_Fan_Prot_Quant.pdf; 4B_Extract_Polar_Lipid_Prot_Fan_070417.pdf
#ANALYSIS
AN:ANALYSIS_TYPE                 	NMR
#NMR
NM:INSTRUMENT_NAME               	Agilent 600
NM:INSTRUMENT_TYPE               	Agilent 600
NM:NMR_EXPERIMENT_TYPE           	HC-HSQC
NM:STANDARD_CONCENTRATION        	0.5 mM
NM:SPECTROMETER_FREQUENCY        	600 MHz
NM:NMR_PROBE                     	cryogenic triple resonance HCN
NM:NMR_SOLVENT                   	D20
NM:NMR_TUBE_SIZE                 	1.7 mm
NM:SHIMMING_METHOD               	gradient shimming
NM:PULSE_SEQUENCE                	gHSQCAD
NM:WATER_SUPPRESSION             	presaturation
NM:CHEMICAL_SHIFT_REF_CPD        	DSS
NM:TEMPERATURE                   	15 celsius
NM:ACQUISITION_TIME              	2 s
NM:RELAXATION_DELAY              	4 s
NM:BASELINE_CORRECTION_METHOD    	Bernstein Polynomial
#NMR_METABOLITE_DATA
NMR_METABOLITE_DATA:UNITS	normalized peak area
NMR_METABOLITE_DATA_START
Samples	07_C1-1_Liver_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A	15_C1-20_Liver_allogenic_7days_170427_UKy_GCH_rep3-polar-NMR_A	12_B1-2_Liver_syngenic_7days_170427_UKy_GCH_rep3-polar-NMR_A	05_B1_Liver_syngenic_42days_170427_UKy_GCH_rep2-polar-NMR_A	11_B1-1_Liver_syngenic_7days_170427_UKy_GCH_rep2-polar-NMR_A	02_A1_Liver_naive_0days_170427_UKy_GCH_rep2-polar-NMR_A	06_B2_Liver_syngenic_42days_170427_UKy_GCH_rep3-polar-NMR_A	01_A0_Liver_naive_0days_170427_UKy_GCH_rep1-polar-NMR_A	13_C1-1_Liver_allogenic_7days_170427_UKy_GCH_rep1-polar-NMR_A	10_B1-0_Liver_syngenic_7days_170427_UKy_GCH_rep1-polar-NMR_A	03_A2_Liver_naive_0days_170427_UKy_GCH_rep3-polar-NMR_A	14_C1-2_Liver_allogenic_7days_170427_UKy_GCH_rep2-polar-NMR_A	04_B0_Liver_syngenic_42days_170427_UKy_GCH_rep1-polar-NMR_A	09_C2-0_Liver_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A	08_C1-2_Liver_allogenic_42days_170427_UKy_GCH_rep2-polar-NMR_A
Factors	Treatment Protocol:allogenic	Treatment Protocol:allogenic	Treatment Protocol:syngenic	Treatment Protocol:syngenic	Treatment Protocol:syngenic	Treatment Protocol:naive	Treatment Protocol:syngenic	Treatment Protocol:naive	Treatment Protocol:allogenic	Treatment Protocol:syngenic	Treatment Protocol:naive	Treatment Protocol:allogenic	Treatment Protocol:syngenic	Treatment Protocol:allogenic	Treatment Protocol:allogenic
AXP-1'_1	59.53966750399347	130.2384251227827	58.07997509989253	130.7498813976597	114.6635674678721	100.5796727497082	104.6881830943141	49.61317010842541	86.29042375842307	122.4144732949149	89.60549875287371	120.8016730177915	68.164295757587	84.66844355730545	77.78774477632767
AXP-2_1	8.350228997226228	10.97393267736335	9.669309014717102	8.480078492854778	7.554223642203715	8.696386753766895	7.881676969987381	6.94193078375273	14.91427911771578	5.699776075087039	4.121303734090457	16.43601423812058	3.51429858445715	5.246613795544744	7.207867400743394
AXP-8_1	4.092546233090854	5.659048543640488	5.161281413216452	1.18021838368969	3.320753846075879	1.818234915460391	4.621661714208794	0.6296399320981283	4.929506218384333	1.677129543863918	0.7786958305125015	8.93224276927118	3.52603992497682	2.493587227710532	2.910314633862427
Ace-2_1	8.887257210692683	16.11712534100967	0.7792011800798676	7.68767880632338	12.81015296467145	10.90308511159213	23.96875350906589	5.159982260863633	9.410579655221229	7.931906334962332	12.30595361453568	15.69667546515101	3.432919396632446	10.59923542521225	9.027073700235576
Ala-3_1	76.23361799434436	168.4084044767428	110.2223471946038	119.3574300899385	109.4221154938189	138.1774725586719	266.8408605303562	72.36722372989651	85.7212638422542	89.92636394920902	150.3771881160642	114.1485231067161	80.69467694493672	96.28416693395248	82.04869353700477
Ala-3_2	73.38573297305508	154.7298116081399	106.9943221885709	103.7216556138133	125.3563555446786	109.0274786875593	240.162592696744	60.60500201670553	66.82510982037404	94.53262898522354	97.21611389142548	84.93114689288734	76.08071546867477	93.62880228721498	79.11874573135616
CXP-6_1	1.220952165372671	7.906655154851344	4.344610635235292	0.4722085578174333	1.7019811794645	2.004033150619685	1.136059574036872	1.068422548125476	4.695150224115171	0.6339674001657066	0.2096207339222071	4.472370228153812	0.6368621957914851	3.004048846241298	1.005337362839289
Cys-3-GSH_1	18.31086232708159	28.0648931755632		15.10017707633129	17.87280278280918		14.91824142358397		15.44912320161164	9.240921682570852		39.12916545550274		13.62680671245786	
DSS_1	3.92175326874699	4.065212282926542	4.531765516765022	3.728155756476013	3.846004921253804	4.281153314061684	3.525945135943426	4.266206666531043	3.586682813714868	3.903482124575784	3.728140510869542	3.597454886317491	4.088785792123524	4.200190600919973	3.90862704248976
GSH+GSSG-3_1	75.3106779340069	85.3568689645381	75.9046716295566	53.7974644221142	81.4745950520133	170.3988904062534	143.2368178197108	71.77230293952236	68.76773792266346	150.7891268729722	54.9485535409273	114.6242115060006	158.9267051858176	75.5863971912601	90.0633545677574
GSH+GSSG-3_2	160.132197744908	135.1479520598059	69.06698887440275	172.5811266969918	151.8092234560413	77.16495771198326	110.8107716377848		89.84370501673294	73.30053688632712	79.53433973361778	185.7278139731831		111.101425934526	66.03486165210127
GSH+GSSG-3_3	91.26941564595965	112.15533623362	53.3011514053878	57.23424401569672	131.0326435484238	50.3751033666017	62.78257913275128		69.6406467182748		55.88655941318235	119.6195041003023		100.8663067037626	65.06475317520359
GSH+GSSG-3_4	11.66599609620116											16.97201807097314			
GSH+GSSG-4_1	39.28409568139967	21.37790066891458	26.47122164711279	62.38028480664417	25.56621351247174	37.9245498914039	36.08168368317151	14.44684063339012	44.27806148003762	34.12238907598563	28.69851518817375	23.98519084538353	23.85734300606544	40.7465684838637	11.57631134217345
GSH+GSSG-4_2		34.08972436472504			31.02064512989509							57.72698781420328			
GSH+GSSG-4_3		17.69698792525053			13.29393168900125							12.35595693698051			
Gln+Glu-2_1	45.47592404713604	495.1029557639363	183.7779058220527	205.2851983836293	88.12432945118444	187.1622101021952	311.7718060814891	682.5045542697143	57.09199078264723	242.9788413895428	218.6922517299122	641.4612121201852	187.82981857916	103.2696320025586	36.04197341230162
Gln+Glu-2_2	480.7564764319786		669.8282124576245	1317.275161163599	1220.420590854339	1334.773496366001	1549.178709466261		330.7935443344884	1416.967312014539	1234.442258943275		989.0086602933847	467.5193570642026	436.1849638113268
Gln-3_1	110.9806443552954	136.8219587489766		63.44579307895415	71.24963871487294				55.9460784027227	91.1530926288684	56.7736684959664	106.8863183791329		83.28321073727695	32.95690132027266
Gln-4_1	6.991240789608299	14.90127392721443	7.696902001294993	7.393871079262678	7.506196325535726	6.638165505956331	7.136662795450257	18.67439792640855	6.485404294825166	7.084291433844982	8.111532691735684	6.38333213712414	8.569387060477528	7.917664453755544	6.902926351454144
Gln-4_2	10.09035810495867	24.11535670891092	7.702248238005962	8.828591399965532	8.368124112530946	7.110190135190027	7.39504484807487		10.26844075574968	5.591960020281149	4.872932332627751	21.62663388546033	11.38683039072442	7.704327651142713	6.215656100163191
Gln-4_3												28.23387231928407			
Glu-3-a_1	119.4660107332086	199.1130444180107		48.46578263805083	74.11867060455158		54.36175224395248		110.346849839549	55.26218038590772	20.538833424108	199.4607623312663			
Glu-3-a_2							23.1462349204577					27.4415397064962			
Glu-4_1	31.16047107483475	106.1702272985977	71.56594128647747	12.27576946467406	29.58780780319761	23.64095470931111	16.06153258188552	10.43701833693694	27.07208709119959	14.00744763076613	9.047786842338605	91.04997896242804	12.03458373582452	26.20389389151318	8.969239990994392
Glu-4_2															9.955742683696275
Glycogen_1	1445.58103804054	1156.941782251121	3012.128114482926	6781.870786073052	5494.780186811755	5769.286934244445	6648.213668975003	2145.205755730045	912.3441559077007	7338.217426511326	4971.465043346021	1077.609777759982	4364.407745407372	2359.680304714038	1638.195261997404
Lac-2_1	50.023227	29.222117	18.332318	17.325316	19.876189	13.235745	25.857691	63.42482	24.972871	17.225334	15.566152	24.339144	44.100106	13.669448	17.196003
Lac-2_2	66.661542	145.70772	22.84935	93.184228	91.625781	125.740249	154.223179		90.779043	70.492839	126.447437	115.725136	44.100106	68.552781	92.228012
Lac-2_3		152.551594		81.309109	83.535828	58.893301	120.171894		103.34098	58.512941	93.532592	119.733929		79.194376	75.288742
Lac-2_4		19.634825		17.325316	19.876189	13.235745	10.295695		14.179914	17.225334	15.566152	18.045476		13.669448	9.755607
Lac-3_1	231.7787173848654	453.5773632314504	155.1829924635365	355.160457825147	331.759447348986	431.7495319211473	632.8622766985881	159.9829321636253	287.2142753824081	256.5025820564414	457.1966439918105	360.5956764737131	166.1285274434197	261.5441887506964	259.9990695299338
Lac-3_2	170.821655129799	402.9794562989852	84.21686094786571	291.7567678090466	309.2197566573829	304.1165136113333	370.6141493528771	122.0731529649056	242.4832411648522	247.4916032871571	262.9715855793745	318.3487336720253	140.0038684194482	217.9376661984764	228.4733925982664
NAD+-A1'_1	50.54536495047611	73.246362	121.6269684743444	243.9566787109228	232.771055720871	213.9351807407258	295.4716915459066	92.59938804663624	53.26962541507655	240.0622133135294	194.4978542339288	68.533376	184.2680821908106	90.47187780200451	73.0362263924186
NAD+-N1'_1	26.387473	62.90719391260549	35.668903	106.6212474711089	87.62855548934121	85.1146770770306	102.0475966951921	32.690652	25.93818449864034	98.64261845794246	83.02892054399624	36.2286018908684	68.74572316326211	31.40910337616101	30.0224590185877
Succinate-2,3_1	16.38441548010455	40.11468330016689	12.99220785993905	21.17921351737255	22.08893672767144	25.36695410873939	38.77480841128635	7.834411113271686	19.32143033426904	20.18467345600586	22.77513664407181	32.32672968580878	10.80712184023878	17.91808394533821	18.73266146850742
UXP-1'_1	25.65656426860098														
aGlc_1	2103.812764223908	2303.44855349607	2986.550232090788	6561.467329066822	5848.548348770056	6156.48227021176	7052.872229855155	2350.090246775039	1601.81310496037	6181.737784864313	6347.307791141337	1786.704861715438	3970.506656110435	3628.623778049778	2704.201718688306
bGlc_1	747.3704004981635	1012.601155351206	826.9853253279792	1411.942099632599	1252.606288567553	1409.578043378355	1264.472284998502	572.2839603702766	602.4427459435364	1050.873390702771	1714.384733252262	726.098014697026	494.461563337534	1225.606158719327	1077.553888925223
bGlc_2	1161.539760192614	1231.575971704976	1684.683234206607	4207.102446895566	3684.826648675917	3944.976663906064	4376.286894792077	1378.551185101859	853.2177637315061	4201.724238890381	3673.618685927662	932.0668563724485	2705.252485389524	2008.959245792341	1469.221200726241
bGlc_3	71.01212774777333		194.3172271439537	403.7614736300389	448.6553605989724	341.1136212117058	770.0727736681516	148.1084648665921	36.2013902686511	504.5267922117213	273.7526311488812	46.30593778087149	419.0233601018348	85.2874310850042	55.4651778622943
NMR_METABOLITE_DATA_END
#METABOLITES
METABOLITES_START
metabolite_name	base_inchi	isotopic_inchi	peak_description	peak_pattern	proton_count	representative_inchi	transient_peak	transient_peak%type
AXP-1'_1	['InChI=1S/C10H14N5O7P/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(22-10)1-21-23(18,19)20/h2-4,6-7,10,16-17H,1H2,(H2,11,12,13)(H2,18,19,20)/p-2/t4-,6-,7-,10-/m1/s1', ' InChI=1S/C10H15N5O10P2/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(24-10)1-23-27(21,22)25-26(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H2,11,12,13)(H2,18,19,20)/p-3/t4-,6-,7-,10-/m1/s1', ' InChI=1S/C10H16N5O13P3/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(26-10)1-25-30(21,22)28-31(23,24)27-29(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H,23,24)(H2,11,12,13)(H2,18,19,20)/p-4/t4-,6-,7-,10-/m1/s1']	['InChI=1/C10H14N5O7P/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(22-10)1-21-23(18,19)20/h2-4,6-7,10,16-17H,1H2,(H2,11,12,13)(H2,18,19,20)/p-2/t4-,6-,7-,10-/m1/s1/i7H,10+1H/fC10H12N5O7P/h11H2/q-2', ' InChI=1/C10H15N5O10P2/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(24-10)1-23-27(21,22)25-26(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H2,11,12,13)(H2,18,19,20)/p-3/t4-,6-,7-,10-/m1/s1/i7H,10+1H/fC10H12N5O10P2/h11H2/q-3', ' InChI=1/C10H16N5O13P3/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(26-10)1-25-30(21,22)28-31(23,24)27-29(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H,23,24)(H2,11,12,13)(H2,18,19,20)/p-4/t4-,6-,7-,10-/m1/s1/i7H,10+1H/fC10H12N5O13P3/h11H2/q-4']	['[1H31:13C10]HResonance + [1H31:1H30]J3HH', ' [1H35:13C10]HResonance + [1H35:1H34]J3HH', ' [1H39:13C10]HResonance + [1H39:1H38]J3HH']		1	['InChI=1S/C10H14N5O7P/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(22-10)1-21-23(18,19)20/h2-4,6-7,10,16-17H,1H2,(H2,11,12,13)(H2,18,19,20)/p-2/t4-,6-,7-,10-/m1/s1', ' InChI=1/C10H15N5O10P2/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(24-10)1-23-27(21,22)25-26(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H2,11,12,13)(H2,18,19,20)/p-3/t4-,6-,7-,10-/m1/s1/fC10H12N5O10P2/h11H2/q-3', ' InChI=1S/C10H16N5O13P3/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(26-10)1-25-30(21,22)28-31(23,24)27-29(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H,23,24)(H2,11,12,13)(H2,18,19,20)/p-4/t4-,6-,7-,10-/m1/s1']	1	integer
AXP-2_1	['InChI=1S/C10H14N5O7P/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(22-10)1-21-23(18,19)20/h2-4,6-7,10,16-17H,1H2,(H2,11,12,13)(H2,18,19,20)/p-2/t4-,6-,7-,10-/m1/s1', ' InChI=1S/C10H15N5O10P2/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(24-10)1-23-27(21,22)25-26(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H2,11,12,13)(H2,18,19,20)/p-3/t4-,6-,7-,10-/m1/s1', ' InChI=1S/C10H16N5O13P3/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(26-10)1-25-30(21,22)28-31(23,24)27-29(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H,23,24)(H2,11,12,13)(H2,18,19,20)/p-4/t4-,6-,7-,10-/m1/s1']	['InChI=1/C10H14N5O7P/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(22-10)1-21-23(18,19)20/h2-4,6-7,10,16-17H,1H2,(H2,11,12,13)(H2,18,19,20)/p-2/t4-,6-,7-,10-/m1/s1/i2+1H/fC10H12N5O7P/h11H2/q-2', ' InChI=1/C10H15N5O10P2/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(24-10)1-23-27(21,22)25-26(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H2,11,12,13)(H2,18,19,20)/p-3/t4-,6-,7-,10-/m1/s1/i2+1H/fC10H12N5O10P2/h11H2/q-3', ' InChI=1/C10H16N5O13P3/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(26-10)1-25-30(21,22)28-31(23,24)27-29(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H,23,24)(H2,11,12,13)(H2,18,19,20)/p-4/t4-,6-,7-,10-/m1/s1/i2+1H/fC10H12N5O13P3/h11H2/q-4']	['[1H26:13C2]Hresonance', ' [1H30:13C2]Hresonance', ' [1H34:13C2]Hresonance']		1	['InChI=1S/C10H14N5O7P/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(22-10)1-21-23(18,19)20/h2-4,6-7,10,16-17H,1H2,(H2,11,12,13)(H2,18,19,20)/p-2/t4-,6-,7-,10-/m1/s1', ' InChI=1/C10H15N5O10P2/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(24-10)1-23-27(21,22)25-26(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H2,11,12,13)(H2,18,19,20)/p-3/t4-,6-,7-,10-/m1/s1/fC10H12N5O10P2/h11H2/q-3', ' InChI=1S/C10H16N5O13P3/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(26-10)1-25-30(21,22)28-31(23,24)27-29(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H,23,24)(H2,11,12,13)(H2,18,19,20)/p-4/t4-,6-,7-,10-/m1/s1']	1	integer
AXP-8_1	['InChI=1S/C10H14N5O7P/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(22-10)1-21-23(18,19)20/h2-4,6-7,10,16-17H,1H2,(H2,11,12,13)(H2,18,19,20)/p-2/t4-,6-,7-,10-/m1/s1', ' InChI=1S/C10H15N5O10P2/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(24-10)1-23-27(21,22)25-26(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H2,11,12,13)(H2,18,19,20)/p-3/t4-,6-,7-,10-/m1/s1', ' InChI=1S/C10H16N5O13P3/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(26-10)1-25-30(21,22)28-31(23,24)27-29(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H,23,24)(H2,11,12,13)(H2,18,19,20)/p-4/t4-,6-,7-,10-/m1/s1']	['InChI=1/C10H14N5O7P/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(22-10)1-21-23(18,19)20/h2-4,6-7,10,16-17H,1H2,(H2,11,12,13)(H2,18,19,20)/p-2/t4-,6-,7-,10-/m1/s1/i3+1H/fC10H12N5O7P/h11H2/q-2', ' InChI=1/C10H15N5O10P2/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(24-10)1-23-27(21,22)25-26(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H2,11,12,13)(H2,18,19,20)/p-3/t4-,6-,7-,10-/m1/s1/i3+1H/fC10H12N5O10P2/h11H2/q-3', ' InChI=1/C10H16N5O13P3/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(26-10)1-25-30(21,22)28-31(23,24)27-29(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H,23,24)(H2,11,12,13)(H2,18,19,20)/p-4/t4-,6-,7-,10-/m1/s1/i3+1H/fC10H12N5O13P3/h11H2/q-4']	['[1H27:13C3]Hresonance', ' [1H31:13C3]Hresonance', ' [1H35:13C3]Hresonance']		1	['InChI=1S/C10H14N5O7P/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(22-10)1-21-23(18,19)20/h2-4,6-7,10,16-17H,1H2,(H2,11,12,13)(H2,18,19,20)/p-2/t4-,6-,7-,10-/m1/s1', ' InChI=1/C10H15N5O10P2/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(24-10)1-23-27(21,22)25-26(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H2,11,12,13)(H2,18,19,20)/p-3/t4-,6-,7-,10-/m1/s1/fC10H12N5O10P2/h11H2/q-3', ' InChI=1S/C10H16N5O13P3/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(26-10)1-25-30(21,22)28-31(23,24)27-29(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H,23,24)(H2,11,12,13)(H2,18,19,20)/p-4/t4-,6-,7-,10-/m1/s1']	1	integer
Ace-2_1	InChI=1S/C2H4O2/c1-2(3)4/h1H3,(H,3,4)/p-1	InChI=1/C2H4O2/c1-2(3)4/h1H3,(H,3,4)/p-1/i1+1H3/fC2H3O2/q-1	['[1H5', '1H6', '1H7:13C1]HResonance']		3	InChI=1S/C2H4O2/c1-2(3)4/h1H3,(H,3,4)/p-1	1	integer
Ala-3_1	InChI=1S/C3H7NO2/c1-2(4)3(5)6/h2H,4H2,1H3,(H,5,6)/t2-/m0/s1	InChI=1/C3H7NO2/c1-2(4)3(5)6/h2H,4H2,1H3,(H,5,6)/t2-/m0/s1/i1+1H3,2H/f/h4H	['[1H7', '1H8', '1H9:13C1]HResonance + [1H7', '1H8', '1H9:1H10]J3HH']		3	InChI=1/C3H7NO2/c1-2(4)3(5)6/h2H,4H2,1H3,(H,5,6)/t2-/m0/s1/f/h4H	1	integer
Ala-3_2	InChI=1S/C3H7NO2/c1-2(4)3(5)6/h2H,4H2,1H3,(H,5,6)/t2-/m0/s1	InChI=1/C3H7NO2/c1-2(4)3(5)6/h2H,4H2,1H3,(H,5,6)/t2-/m0/s1/i1+1H3,2H/f/h4H	['[1H7', '1H8', '1H9:13C1]HResonance + [1H7', '1H8', '1H9:1H10]J3HH']		3	InChI=1/C3H7NO2/c1-2(4)3(5)6/h2H,4H2,1H3,(H,5,6)/t2-/m0/s1/f/h4H	2	integer
CXP-6_1	['InChI=1S/C9H14N3O8P/c10-5-1-2-12(9(15)11-5)8-7(14)6(13)4(20-8)3-19-21(16,17)18/h1-2,4,6-8,13-14H,3H2,(H2,10,11,15)(H2,16,17,18)/p-2/t4-,6-,7-,8-/m1/s1', ' InChI=1S/C9H15N3O11P2/c10-5-1-2-12(9(15)11-5)8-7(14)6(13)4(22-8)3-21-25(19,20)23-24(16,17)18/h1-2,4,6-8,13-14H,3H2,(H,19,20)(H2,10,11,15)(H2,16,17,18)/p-3/t4-,6-,7-,8-/m1/s1', ' InChI=1S/C9H16N3O14P3/c10-5-1-2-12(9(15)11-5)8-7(14)6(13)4(24-8)3-23-28(19,20)26-29(21,22)25-27(16,17)18/h1-2,4,6-8,13-14H,3H2,(H,19,20)(H,21,22)(H2,10,11,15)(H2,16,17,18)/p-4/t4-,6-,7-,8-/m1/s1']	['InChI=1/C9H14N3O8P/c10-5-1-2-12(9(15)11-5)8-7(14)6(13)4(20-8)3-19-21(16,17)18/h1-2,4,6-8,13-14H,3H2,(H2,10,11,15)(H2,16,17,18)/p-2/t4-,6-,7-,8-/m1/s1/i1H,2+1H/fC9H12N3O8P/h10H2/q-2', ' InChI=1/C9H15N3O11P2/c10-5-1-2-12(9(15)11-5)8-7(14)6(13)4(22-8)3-21-25(19,20)23-24(16,17)18/h1-2,4,6-8,13-14H,3H2,(H,19,20)(H2,10,11,15)(H2,16,17,18)/p-3/t4-,6-,7-,8-/m1/s1/i1H,2+1H/fC9H12N3O11P2/h10H2/q-3', ' InChI=1/C9H16N3O14P3/c10-5-1-2-12(9(15)11-5)8-7(14)6(13)4(24-8)3-23-28(19,20)26-29(21,22)25-27(16,17)18/h1-2,4,6-8,13-14H,3H2,(H,19,20)(H,21,22)(H2,10,11,15)(H2,16,17,18)/p-4/t4-,6-,7-,8-/m1/s1/i1H,2+1H/fC9H12N3O14P3/h10H2/q-4']	['[1H23:13C2]HResonance + [1H23:1H22]J3HH', ' [1H27:13C2]HResonance + [1H27:1H26]J3HH', ' [1H31:13C2]HResonance + [1H31:1H30]J3HH']		1	['InChI=1/C9H14N3O8P/c10-5-1-2-12(9(15)11-5)8-7(14)6(13)4(20-8)3-19-21(16,17)18/h1-2,4,6-8,13-14H,3H2,(H2,10,11,15)(H2,16,17,18)/p-2/t4-,6-,7-,8-/m1/s1/fC9H12N3O8P/h10H2/q-2', ' InChI=1/C9H15N3O11P2/c10-5-1-2-12(9(15)11-5)8-7(14)6(13)4(22-8)3-21-25(19,20)23-24(16,17)18/h1-2,4,6-8,13-14H,3H2,(H,19,20)(H2,10,11,15)(H2,16,17,18)/p-3/t4-,6-,7-,8-/m1/s1/fC9H12N3O11P2/h10H2/q-3', ' InChI=1/C9H16N3O14P3/c10-5-1-2-12(9(15)11-5)8-7(14)6(13)4(24-8)3-23-28(19,20)26-29(21,22)25-27(16,17)18/h1-2,4,6-8,13-14H,3H2,(H,19,20)(H,21,22)(H2,10,11,15)(H2,16,17,18)/p-4/t4-,6-,7-,8-/m1/s1/fC9H12N3O14P3/h10H2/q-4']	1	integer
Cys-3-GSH_1	InChI=1S/C10H17N3O6S/c11-5(10(18)19)1-2-7(14)13-6(4-20)9(17)12-3-8(15)16/h5-6,20H,1-4,11H2,(H,12,17)(H,13,14)(H,15,16)(H,18,19)/p-1/t5-,6-/m0/s1	InChI=1/C10H17N3O6S/c11-5(10(18)19)1-2-7(14)13-6(4-20)9(17)12-3-8(15)16/h5-6,20H,1-4,11H2,(H,12,17)(H,13,14)(H,15,16)(H,18,19)/p-1/t5-,6-/m0/s1/i4+1H2,6H/fC10H16N3O6S/h11-13H/q-1	['[1H27', '1H28:13C4]HResonance + [1H27', '1H28:1H30]J3HH']		2	InChI=1/C10H17N3O6S/c11-5(10(18)19)1-2-7(14)13-6(4-20)9(17)12-3-8(15)16/h5-6,20H,1-4,11H2,(H,12,17)(H,13,14)(H,15,16)(H,18,19)/p-1/t5-,6-/m0/s1/fC10H16N3O6S/h11-13H/q-1	1	integer
DSS_1	InChI=1S/C6H16O3SSi/c1-11(2,3)6-4-5-10(7,8)9/h4-6H2,1-3H3,(H,7,8,9)/i4D2,5D2,6D2	InChI=1/C6H16O3SSi/c1-11(2,3)6-4-5-10(7,8)9/h4-6H2,1-3H3,(H,7,8,9)/p-1/i1+1H3,2+1H3,3+1H3,4D2,5D2,6D2/fC6H15O3SSi/q-1	['[1H12', '1H13', '1H14:13C1+1H15', '1H16', '1H17:13C2+1H18', '1H19', '1H20:13C3]Hresonance']		9	InChI=1/C6H16O3SSi/c1-11(2,3)6-4-5-10(7,8)9/h4-6H2,1-3H3,(H,7,8,9)/p-1/i4D2,5D2,6D2/fC6H15O3SSi/q-1	1	integer
GSH+GSSG-3_1	['InChI=1S/C10H17N3O6S/c11-5(10(18)19)1-2-7(14)13-6(4-20)9(17)12-3-8(15)16/h5-6,20H,1-4,11H2,(H,12,17)(H,13,14)(H,15,16)(H,18,19)/p-1/t5-,6-/m0/s1', ' InChI=1S/C20H32N6O12S2/c21-9(19(35)36)1-3-13(27)25-11(17(33)23-5-15(29)30)7-39-40-8-12(18(34)24-6-16(31)32)26-14(28)4-2-10(22)20(37)38/h9-12H,1-8,21-22H2,(H,23,33)(H,24,34)(H,25,27)(H,26,28)(H,29,30)(H,31,32)(H,35,36)(H,37,38)/p-2']	['InChI=1/C10H17N3O6S/c11-5(10(18)19)1-2-7(14)13-6(4-20)9(17)12-3-8(15)16/h5-6,20H,1-4,11H2,(H,12,17)(H,13,14)(H,15,16)(H,18,19)/p-1/t5-,6-/m0/s1/i1+1H2,2H2,5H/fC10H16N3O6S/h11-13H/q-1', ' InChI=1/C20H32N6O12S2/c21-9(19(35)36)1-3-13(27)25-11(17(33)23-5-15(29)30)7-39-40-8-12(18(34)24-6-16(31)32)26-14(28)4-2-10(22)20(37)38/h9-12H,1-8,21-22H2,(H,23,33)(H,24,34)(H,25,27)(H,26,28)(H,29,30)(H,31,32)(H,35,36)(H,37,38)/p-2/t9-,10-,11-,12-/m0/s1/i1+1H2,2+1H2,3H2,4H2,9H,10H/fC20H30N6O12S2/h21-22,27-28,33-34H/q-2']	['[1H21,1H22:13C1]HResonance + [1H21,1H22:1H23,1H24]J3HH + [1H21,1H22:1H29]J3HH', ' [1H41,1H42:13C1+1H43,1H44:13C2]HResonance + [1H41,1H42:1H45,1H46]J3HH + [1H41,1H42:1H57]J3HH + [1H43,1H44:1H47,1H48]J3HH + [1H43,1H44:1H58]J3HH']		2	['InChI=1/C10H17N3O6S/c11-5(10(18)19)1-2-7(14)13-6(4-20)9(17)12-3-8(15)16/h5-6,20H,1-4,11H2,(H,12,17)(H,13,14)(H,15,16)(H,18,19)/p-1/t5-,6-/m0/s1/fC10H16N3O6S/h11-13H/q-1', ' InChI=1/C20H32N6O12S2/c21-9(19(35)36)1-3-13(27)25-11(17(33)23-5-15(29)30)7-39-40-8-12(18(34)24-6-16(31)32)26-14(28)4-2-10(22)20(37)38/h9-12H,1-8,21-22H2,(H,23,33)(H,24,34)(H,25,27)(H,26,28)(H,29,30)(H,31,32)(H,35,36)(H,37,38)/p-2/t9-,10-,11-,12-/m0/s1/fC20H30N6O12S2/h21-22,27-28,33-34H/q-2']	1	integer
GSH+GSSG-3_2	['InChI=1S/C10H17N3O6S/c11-5(10(18)19)1-2-7(14)13-6(4-20)9(17)12-3-8(15)16/h5-6,20H,1-4,11H2,(H,12,17)(H,13,14)(H,15,16)(H,18,19)/p-1/t5-,6-/m0/s1', ' InChI=1S/C20H32N6O12S2/c21-9(19(35)36)1-3-13(27)25-11(17(33)23-5-15(29)30)7-39-40-8-12(18(34)24-6-16(31)32)26-14(28)4-2-10(22)20(37)38/h9-12H,1-8,21-22H2,(H,23,33)(H,24,34)(H,25,27)(H,26,28)(H,29,30)(H,31,32)(H,35,36)(H,37,38)/p-2']	['InChI=1/C10H17N3O6S/c11-5(10(18)19)1-2-7(14)13-6(4-20)9(17)12-3-8(15)16/h5-6,20H,1-4,11H2,(H,12,17)(H,13,14)(H,15,16)(H,18,19)/p-1/t5-,6-/m0/s1/i1+1H2,2H2,5H/fC10H16N3O6S/h11-13H/q-1', ' InChI=1/C20H32N6O12S2/c21-9(19(35)36)1-3-13(27)25-11(17(33)23-5-15(29)30)7-39-40-8-12(18(34)24-6-16(31)32)26-14(28)4-2-10(22)20(37)38/h9-12H,1-8,21-22H2,(H,23,33)(H,24,34)(H,25,27)(H,26,28)(H,29,30)(H,31,32)(H,35,36)(H,37,38)/p-2/t9-,10-,11-,12-/m0/s1/i1+1H2,2+1H2,3H2,4H2,9H,10H/fC20H30N6O12S2/h21-22,27-28,33-34H/q-2']	['[1H21,1H22:13C1]HResonance + [1H21,1H22:1H23,1H24]J3HH + [1H21,1H22:1H29]J3HH', ' [1H41,1H42:13C1+1H43,1H44:13C2]HResonance + [1H41,1H42:1H45,1H46]J3HH + [1H41,1H42:1H57]J3HH + [1H43,1H44:1H47,1H48]J3HH + [1H43,1H44:1H58]J3HH']		2	['InChI=1/C10H17N3O6S/c11-5(10(18)19)1-2-7(14)13-6(4-20)9(17)12-3-8(15)16/h5-6,20H,1-4,11H2,(H,12,17)(H,13,14)(H,15,16)(H,18,19)/p-1/t5-,6-/m0/s1/fC10H16N3O6S/h11-13H/q-1', ' InChI=1/C20H32N6O12S2/c21-9(19(35)36)1-3-13(27)25-11(17(33)23-5-15(29)30)7-39-40-8-12(18(34)24-6-16(31)32)26-14(28)4-2-10(22)20(37)38/h9-12H,1-8,21-22H2,(H,23,33)(H,24,34)(H,25,27)(H,26,28)(H,29,30)(H,31,32)(H,35,36)(H,37,38)/p-2/t9-,10-,11-,12-/m0/s1/fC20H30N6O12S2/h21-22,27-28,33-34H/q-2']	2	integer
GSH+GSSG-3_3	['InChI=1S/C10H17N3O6S/c11-5(10(18)19)1-2-7(14)13-6(4-20)9(17)12-3-8(15)16/h5-6,20H,1-4,11H2,(H,12,17)(H,13,14)(H,15,16)(H,18,19)/p-1/t5-,6-/m0/s1', ' InChI=1S/C20H32N6O12S2/c21-9(19(35)36)1-3-13(27)25-11(17(33)23-5-15(29)30)7-39-40-8-12(18(34)24-6-16(31)32)26-14(28)4-2-10(22)20(37)38/h9-12H,1-8,21-22H2,(H,23,33)(H,24,34)(H,25,27)(H,26,28)(H,29,30)(H,31,32)(H,35,36)(H,37,38)/p-2']	['InChI=1/C10H17N3O6S/c11-5(10(18)19)1-2-7(14)13-6(4-20)9(17)12-3-8(15)16/h5-6,20H,1-4,11H2,(H,12,17)(H,13,14)(H,15,16)(H,18,19)/p-1/t5-,6-/m0/s1/i1+1H2,2H2,5H/fC10H16N3O6S/h11-13H/q-1', ' InChI=1/C20H32N6O12S2/c21-9(19(35)36)1-3-13(27)25-11(17(33)23-5-15(29)30)7-39-40-8-12(18(34)24-6-16(31)32)26-14(28)4-2-10(22)20(37)38/h9-12H,1-8,21-22H2,(H,23,33)(H,24,34)(H,25,27)(H,26,28)(H,29,30)(H,31,32)(H,35,36)(H,37,38)/p-2/t9-,10-,11-,12-/m0/s1/i1+1H2,2+1H2,3H2,4H2,9H,10H/fC20H30N6O12S2/h21-22,27-28,33-34H/q-2']	['[1H21,1H22:13C1]HResonance + [1H21,1H22:1H23,1H24]J3HH + [1H21,1H22:1H29]J3HH', ' [1H41,1H42:13C1+1H43,1H44:13C2]HResonance + [1H41,1H42:1H45,1H46]J3HH + [1H41,1H42:1H57]J3HH + [1H43,1H44:1H47,1H48]J3HH + [1H43,1H44:1H58]J3HH']		2	['InChI=1/C10H17N3O6S/c11-5(10(18)19)1-2-7(14)13-6(4-20)9(17)12-3-8(15)16/h5-6,20H,1-4,11H2,(H,12,17)(H,13,14)(H,15,16)(H,18,19)/p-1/t5-,6-/m0/s1/fC10H16N3O6S/h11-13H/q-1', ' InChI=1/C20H32N6O12S2/c21-9(19(35)36)1-3-13(27)25-11(17(33)23-5-15(29)30)7-39-40-8-12(18(34)24-6-16(31)32)26-14(28)4-2-10(22)20(37)38/h9-12H,1-8,21-22H2,(H,23,33)(H,24,34)(H,25,27)(H,26,28)(H,29,30)(H,31,32)(H,35,36)(H,37,38)/p-2/t9-,10-,11-,12-/m0/s1/fC20H30N6O12S2/h21-22,27-28,33-34H/q-2']	3	integer
GSH+GSSG-3_4	['InChI=1S/C10H17N3O6S/c11-5(10(18)19)1-2-7(14)13-6(4-20)9(17)12-3-8(15)16/h5-6,20H,1-4,11H2,(H,12,17)(H,13,14)(H,15,16)(H,18,19)/p-1/t5-,6-/m0/s1', ' InChI=1S/C20H32N6O12S2/c21-9(19(35)36)1-3-13(27)25-11(17(33)23-5-15(29)30)7-39-40-8-12(18(34)24-6-16(31)32)26-14(28)4-2-10(22)20(37)38/h9-12H,1-8,21-22H2,(H,23,33)(H,24,34)(H,25,27)(H,26,28)(H,29,30)(H,31,32)(H,35,36)(H,37,38)/p-2']	['InChI=1/C10H17N3O6S/c11-5(10(18)19)1-2-7(14)13-6(4-20)9(17)12-3-8(15)16/h5-6,20H,1-4,11H2,(H,12,17)(H,13,14)(H,15,16)(H,18,19)/p-1/t5-,6-/m0/s1/i1+1H2,2H2,5H/fC10H16N3O6S/h11-13H/q-1', ' InChI=1/C20H32N6O12S2/c21-9(19(35)36)1-3-13(27)25-11(17(33)23-5-15(29)30)7-39-40-8-12(18(34)24-6-16(31)32)26-14(28)4-2-10(22)20(37)38/h9-12H,1-8,21-22H2,(H,23,33)(H,24,34)(H,25,27)(H,26,28)(H,29,30)(H,31,32)(H,35,36)(H,37,38)/p-2/t9-,10-,11-,12-/m0/s1/i1+1H2,2+1H2,3H2,4H2,9H,10H/fC20H30N6O12S2/h21-22,27-28,33-34H/q-2']	['[1H21,1H22:13C1]HResonance + [1H21,1H22:1H23,1H24]J3HH + [1H21,1H22:1H29]J3HH', ' [1H41,1H42:13C1+1H43,1H44:13C2]HResonance + [1H41,1H42:1H45,1H46]J3HH + [1H41,1H42:1H57]J3HH + [1H43,1H44:1H47,1H48]J3HH + [1H43,1H44:1H58]J3HH']		2	['InChI=1/C10H17N3O6S/c11-5(10(18)19)1-2-7(14)13-6(4-20)9(17)12-3-8(15)16/h5-6,20H,1-4,11H2,(H,12,17)(H,13,14)(H,15,16)(H,18,19)/p-1/t5-,6-/m0/s1/fC10H16N3O6S/h11-13H/q-1', ' InChI=1/C20H32N6O12S2/c21-9(19(35)36)1-3-13(27)25-11(17(33)23-5-15(29)30)7-39-40-8-12(18(34)24-6-16(31)32)26-14(28)4-2-10(22)20(37)38/h9-12H,1-8,21-22H2,(H,23,33)(H,24,34)(H,25,27)(H,26,28)(H,29,30)(H,31,32)(H,35,36)(H,37,38)/p-2/t9-,10-,11-,12-/m0/s1/fC20H30N6O12S2/h21-22,27-28,33-34H/q-2']	4	integer
GSH+GSSG-4_1	['InChI=1S/C10H17N3O6S/c11-5(10(18)19)1-2-7(14)13-6(4-20)9(17)12-3-8(15)16/h5-6,20H,1-4,11H2,(H,12,17)(H,13,14)(H,15,16)(H,18,19)/p-1/t5-,6-/m0/s1', ' InChI=1S/C20H32N6O12S2/c21-9(19(35)36)1-3-13(27)25-11(17(33)23-5-15(29)30)7-39-40-8-12(18(34)24-6-16(31)32)26-14(28)4-2-10(22)20(37)38/h9-12H,1-8,21-22H2,(H,23,33)(H,24,34)(H,25,27)(H,26,28)(H,29,30)(H,31,32)(H,35,36)(H,37,38)/p-2']	['InChI=1/C10H17N3O6S/c11-5(10(18)19)1-2-7(14)13-6(4-20)9(17)12-3-8(15)16/h5-6,20H,1-4,11H2,(H,12,17)(H,13,14)(H,15,16)(H,18,19)/p-1/t5-,6-/m0/s1/i1H2,2+1H2/fC10H16N3O6S/h11-13H/q-1', ' InChI=1/C20H32N6O12S2/c21-9(19(35)36)1-3-13(27)25-11(17(33)23-5-15(29)30)7-39-40-8-12(18(34)24-6-16(31)32)26-14(28)4-2-10(22)20(37)38/h9-12H,1-8,21-22H2,(H,23,33)(H,24,34)(H,25,27)(H,26,28)(H,29,30)(H,31,32)(H,35,36)(H,37,38)/p-2/t9-,10-,11-,12-/m0/s1/i1H2,2H2,3+1H2,4+1H2/fC20H30N6O12S2/h21-22,27-28,33-34H/q-2']	['[1H23,1H24:13C2]HResonance + [1H23:1H24]J2HH + [1H23,1H24:1H21,1H22]J3HH', ' [1H45,1H46:13C3+1H47,1H48:13C4]HResonance + [1H45:1H46]J2HH + [1H45,1H46:1H41,1H42]J3HH + [1H47:1H48]J2HH + [1H47,1H48:1H43,1H44]J3HH']		4	['InChI=1/C10H17N3O6S/c11-5(10(18)19)1-2-7(14)13-6(4-20)9(17)12-3-8(15)16/h5-6,20H,1-4,11H2,(H,12,17)(H,13,14)(H,15,16)(H,18,19)/p-1/t5-,6-/m0/s1/fC10H16N3O6S/h11-13H/q-1', ' InChI=1/C20H32N6O12S2/c21-9(19(35)36)1-3-13(27)25-11(17(33)23-5-15(29)30)7-39-40-8-12(18(34)24-6-16(31)32)26-14(28)4-2-10(22)20(37)38/h9-12H,1-8,21-22H2,(H,23,33)(H,24,34)(H,25,27)(H,26,28)(H,29,30)(H,31,32)(H,35,36)(H,37,38)/p-2/t9-,10-,11-,12-/m0/s1/fC20H30N6O12S2/h21-22,27-28,33-34H/q-2']	1	integer
GSH+GSSG-4_2	['InChI=1S/C10H17N3O6S/c11-5(10(18)19)1-2-7(14)13-6(4-20)9(17)12-3-8(15)16/h5-6,20H,1-4,11H2,(H,12,17)(H,13,14)(H,15,16)(H,18,19)/p-1/t5-,6-/m0/s1', ' InChI=1S/C20H32N6O12S2/c21-9(19(35)36)1-3-13(27)25-11(17(33)23-5-15(29)30)7-39-40-8-12(18(34)24-6-16(31)32)26-14(28)4-2-10(22)20(37)38/h9-12H,1-8,21-22H2,(H,23,33)(H,24,34)(H,25,27)(H,26,28)(H,29,30)(H,31,32)(H,35,36)(H,37,38)/p-2']	['InChI=1/C10H17N3O6S/c11-5(10(18)19)1-2-7(14)13-6(4-20)9(17)12-3-8(15)16/h5-6,20H,1-4,11H2,(H,12,17)(H,13,14)(H,15,16)(H,18,19)/p-1/t5-,6-/m0/s1/i1H2,2+1H2/fC10H16N3O6S/h11-13H/q-1', ' InChI=1/C20H32N6O12S2/c21-9(19(35)36)1-3-13(27)25-11(17(33)23-5-15(29)30)7-39-40-8-12(18(34)24-6-16(31)32)26-14(28)4-2-10(22)20(37)38/h9-12H,1-8,21-22H2,(H,23,33)(H,24,34)(H,25,27)(H,26,28)(H,29,30)(H,31,32)(H,35,36)(H,37,38)/p-2/t9-,10-,11-,12-/m0/s1/i1H2,2H2,3+1H2,4+1H2/fC20H30N6O12S2/h21-22,27-28,33-34H/q-2']	['[1H23,1H24:13C2]HResonance + [1H23:1H24]J2HH + [1H23,1H24:1H21,1H22]J3HH', ' [1H45,1H46:13C3+1H47,1H48:13C4]HResonance + [1H45:1H46]J2HH + [1H45,1H46:1H41,1H42]J3HH + [1H47:1H48]J2HH + [1H47,1H48:1H43,1H44]J3HH']		4	['InChI=1/C10H17N3O6S/c11-5(10(18)19)1-2-7(14)13-6(4-20)9(17)12-3-8(15)16/h5-6,20H,1-4,11H2,(H,12,17)(H,13,14)(H,15,16)(H,18,19)/p-1/t5-,6-/m0/s1/fC10H16N3O6S/h11-13H/q-1', ' InChI=1/C20H32N6O12S2/c21-9(19(35)36)1-3-13(27)25-11(17(33)23-5-15(29)30)7-39-40-8-12(18(34)24-6-16(31)32)26-14(28)4-2-10(22)20(37)38/h9-12H,1-8,21-22H2,(H,23,33)(H,24,34)(H,25,27)(H,26,28)(H,29,30)(H,31,32)(H,35,36)(H,37,38)/p-2/t9-,10-,11-,12-/m0/s1/fC20H30N6O12S2/h21-22,27-28,33-34H/q-2']	2	integer
GSH+GSSG-4_3	['InChI=1S/C10H17N3O6S/c11-5(10(18)19)1-2-7(14)13-6(4-20)9(17)12-3-8(15)16/h5-6,20H,1-4,11H2,(H,12,17)(H,13,14)(H,15,16)(H,18,19)/p-1/t5-,6-/m0/s1', ' InChI=1S/C20H32N6O12S2/c21-9(19(35)36)1-3-13(27)25-11(17(33)23-5-15(29)30)7-39-40-8-12(18(34)24-6-16(31)32)26-14(28)4-2-10(22)20(37)38/h9-12H,1-8,21-22H2,(H,23,33)(H,24,34)(H,25,27)(H,26,28)(H,29,30)(H,31,32)(H,35,36)(H,37,38)/p-2']	['InChI=1/C10H17N3O6S/c11-5(10(18)19)1-2-7(14)13-6(4-20)9(17)12-3-8(15)16/h5-6,20H,1-4,11H2,(H,12,17)(H,13,14)(H,15,16)(H,18,19)/p-1/t5-,6-/m0/s1/i1H2,2+1H2/fC10H16N3O6S/h11-13H/q-1', ' InChI=1/C20H32N6O12S2/c21-9(19(35)36)1-3-13(27)25-11(17(33)23-5-15(29)30)7-39-40-8-12(18(34)24-6-16(31)32)26-14(28)4-2-10(22)20(37)38/h9-12H,1-8,21-22H2,(H,23,33)(H,24,34)(H,25,27)(H,26,28)(H,29,30)(H,31,32)(H,35,36)(H,37,38)/p-2/t9-,10-,11-,12-/m0/s1/i1H2,2H2,3+1H2,4+1H2/fC20H30N6O12S2/h21-22,27-28,33-34H/q-2']	['[1H23,1H24:13C2]HResonance + [1H23:1H24]J2HH + [1H23,1H24:1H21,1H22]J3HH', ' [1H45,1H46:13C3+1H47,1H48:13C4]HResonance + [1H45:1H46]J2HH + [1H45,1H46:1H41,1H42]J3HH + [1H47:1H48]J2HH + [1H47,1H48:1H43,1H44]J3HH']		4	['InChI=1/C10H17N3O6S/c11-5(10(18)19)1-2-7(14)13-6(4-20)9(17)12-3-8(15)16/h5-6,20H,1-4,11H2,(H,12,17)(H,13,14)(H,15,16)(H,18,19)/p-1/t5-,6-/m0/s1/fC10H16N3O6S/h11-13H/q-1', ' InChI=1/C20H32N6O12S2/c21-9(19(35)36)1-3-13(27)25-11(17(33)23-5-15(29)30)7-39-40-8-12(18(34)24-6-16(31)32)26-14(28)4-2-10(22)20(37)38/h9-12H,1-8,21-22H2,(H,23,33)(H,24,34)(H,25,27)(H,26,28)(H,29,30)(H,31,32)(H,35,36)(H,37,38)/p-2/t9-,10-,11-,12-/m0/s1/fC20H30N6O12S2/h21-22,27-28,33-34H/q-2']	3	integer
Gln+Glu-2_1	['InChI=1S/C5H10N2O3/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H2,7,8)(H,9,10)/t3-/m0/s1', ' InChI=1S/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/t3-/m0/s1']	['InChI=1/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/p-1/t3-/m0/s1/i1H2,3+1H/fC5H8NO4/h6H/q-1', ' InChI=1/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/p-1/t3-/m0/s1/i1H2,3+1H/fC5H8NO4/h6H/q-1']	['[1H15:13C3]HResonance + [1H15:1H11,1H12]J3HH', ' [1H15:13C3]HResonance + [1H15:1H11,1H12]J3HH']		3	['InChI=1/C5H10N2O3/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H2,7,8)(H,9,10)/t3-/m0/s1/f/h6-8H/b7-4+', ' InChI=1/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/p-1/t3-/m0/s1/fC5H8NO4/h6H/q-1']	1	integer
Gln+Glu-2_2	['InChI=1S/C5H10N2O3/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H2,7,8)(H,9,10)/t3-/m0/s1', ' InChI=1S/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/t3-/m0/s1']	['InChI=1/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/p-1/t3-/m0/s1/i1H2,3+1H/fC5H8NO4/h6H/q-1', ' InChI=1/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/p-1/t3-/m0/s1/i1H2,3+1H/fC5H8NO4/h6H/q-1']	['[1H15:13C3]HResonance + [1H15:1H11,1H12]J3HH', ' [1H15:13C3]HResonance + [1H15:1H11,1H12]J3HH']		3	['InChI=1/C5H10N2O3/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H2,7,8)(H,9,10)/t3-/m0/s1/f/h6-8H/b7-4+', ' InChI=1/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/p-1/t3-/m0/s1/fC5H8NO4/h6H/q-1']	2	integer
Gln-3_1	InChI=1S/C5H10N2O3/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H2,7,8)(H,9,10)/t3-/m0/s1	InChI=1/C5H10N2O3/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H2,7,8)(H,9,10)/t3-/m0/s1/i1+1H2,2H2,3H/f/h6-8H/b7-4+	['[1H11', '1H12:13C1]HResonance + [1H11', '1H12:1H13', '1H14]J3HH + [1H11', '1H12:1H15]J3HH']		2	InChI=1/C5H10N2O3/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H2,7,8)(H,9,10)/t3-/m0/s1/f/h6-8H/b7-4+	1	integer
Gln-4_1	InChI=1S/C5H10N2O3/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H2,7,8)(H,9,10)/t3-/m0/s1	InChI=1/C5H10N2O3/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H2,7,8)(H,9,10)/t3-/m0/s1/i1H2,2H2/f/h6-8H/b7-4+	['[1H13', '1H14:C2]HResonance + [1H13', '1H14:1H11', '1H12]J3HH']		2	InChI=1/C5H10N2O3/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H2,7,8)(H,9,10)/t3-/m0/s1/f/h6-8H/b7-4+	1	integer
Gln-4_2	InChI=1S/C5H10N2O3/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H2,7,8)(H,9,10)/t3-/m0/s1	InChI=1/C5H10N2O3/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H2,7,8)(H,9,10)/t3-/m0/s1/i1H2,2H2/f/h6-8H/b7-4+	['[1H13', '1H14:C2]HResonance + [1H13', '1H14:1H11', '1H12]J3HH']		2	InChI=1/C5H10N2O3/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H2,7,8)(H,9,10)/t3-/m0/s1/f/h6-8H/b7-4+	2	integer
Gln-4_3	InChI=1S/C5H10N2O3/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H2,7,8)(H,9,10)/t3-/m0/s1	InChI=1/C5H10N2O3/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H2,7,8)(H,9,10)/t3-/m0/s1/i1H2,2H2/f/h6-8H/b7-4+	['[1H13', '1H14:C2]HResonance + [1H13', '1H14:1H11', '1H12]J3HH']		2	InChI=1/C5H10N2O3/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H2,7,8)(H,9,10)/t3-/m0/s1/f/h6-8H/b7-4+	3	integer
Glu-3-a_1	InChI=1S/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/t3-/m0/s1	InChI=1/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/p-1/t3-/m0/s1/i1+1H2,2H2,3H/fC5H8NO4/h6H/q-1	['[1H11', '1H12:13C1]HResonance + [1H11:1H12]J2HH + [1H11', '1H12:1H13', '1H14]J3HH + [1H11', '1H12:1H15]J3HH']		1	InChI=1/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/p-1/t3-/m0/s1/fC5H8NO4/h6H/q-1	1	integer
Glu-3-a_2	InChI=1S/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/t3-/m0/s1	InChI=1/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/p-1/t3-/m0/s1/i1+1H2,2H2,3H/fC5H8NO4/h6H/q-1	['[1H11', '1H12:13C1]HResonance + [1H11:1H12]J2HH + [1H11', '1H12:1H13', '1H14]J3HH + [1H11', '1H12:1H15]J3HH']		1	InChI=1/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/p-1/t3-/m0/s1/fC5H8NO4/h6H/q-1	2	integer
Glu-4_1	InChI=1S/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/t3-/m0/s1	InChI=1/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/p-1/t3-/m0/s1/i1H2,2+1H2/fC5H8NO4/h6H/q-1	['[1H13', '1H14:13C2]HResonance + [1H13:1H14]J2HH + [1H13', '1H14:1H11', '1H12]J3HH']		2	InChI=1/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/p-1/t3-/m0/s1/fC5H8NO4/h6H/q-1	1	integer
Glu-4_2	InChI=1S/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/t3-/m0/s1	InChI=1/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/p-1/t3-/m0/s1/i1H2,2+1H2/fC5H8NO4/h6H/q-1	['[1H13', '1H14:13C2]HResonance + [1H13:1H14]J2HH + [1H13', '1H14:1H11', '1H12]J3HH']		2	InChI=1/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/p-1/t3-/m0/s1/fC5H8NO4/h6H/q-1	2	integer
Glycogen_1	InChI=1S/C24H42O21/c25-1-5-9(28)11(30)16(35)22(41-5)39-4-8-20(45-23-17(36)12(31)10(29)6(2-26)42-23)14(33)18(37)24(43-8)44-19-7(3-27)40-21(38)15(34)13(19)32/h5-38H,1-4H2/t5-,6-,7-,8-,9-,10-,11+,12+,13-,14-,15-,16-,17-,18-,19-,20-,21+,22+,23-,24-/m1/s1	InChI=1S/C24H42O21/c25-1-5-9(28)11(30)16(35)22(41-5)39-4-8-20(45-23-17(36)12(31)10(29)6(2-26)42-23)14(33)18(37)24(43-8)44-19-7(3-27)40-21(38)15(34)13(19)32/h5-38H,1-4H2/t5-,6-,7-,8-,9-,10-,11+,12+,13-,14-,15-,16-,17-,18-,19-,20-,21+,22+,23-,24-/m1/s1/i17H,23+1H	[1H72:13C23]HResonance + [1H72:1H66]J3HH		1	InChI=1S/C24H42O21/c25-1-5-9(28)11(30)16(35)22(41-5)39-4-8-20(45-23-17(36)12(31)10(29)6(2-26)42-23)14(33)18(37)24(43-8)44-19-7(3-27)40-21(38)15(34)13(19)32/h5-38H,1-4H2/t5-,6-,7-,8-,9-,10-,11+,12+,13-,14-,15-,16-,17-,18-,19-,20-,21+,22+,23-,24-/m1/s1	1	integer
Lac-2_1	InChI=1S/C3H6O3/c1-2(4)3(5)6/h2,4H,1H3,(H,5,6)/p-1	InChI=1/C3H6O3/c1-2(4)3(5)6/h2,4H,1H3,(H,5,6)/p-1/t2-/m0/s1/i1H3,2+1H/fC3H5O3/q-1	['[1H10:13C2]HResonance + [1H10:1H7', '1H8', '1H9]J3HH']		1	InChI=1S/C3H6O3/c1-2(4)3(5)6/h2,4H,1H3,(H,5,6)/p-1	1	integer
Lac-2_2	InChI=1S/C3H6O3/c1-2(4)3(5)6/h2,4H,1H3,(H,5,6)/p-1	InChI=1/C3H6O3/c1-2(4)3(5)6/h2,4H,1H3,(H,5,6)/p-1/t2-/m0/s1/i1H3,2+1H/fC3H5O3/q-1	['[1H10:13C2]HResonance + [1H10:1H7', '1H8', '1H9]J3HH']		1	InChI=1S/C3H6O3/c1-2(4)3(5)6/h2,4H,1H3,(H,5,6)/p-1	2	integer
Lac-2_3	InChI=1S/C3H6O3/c1-2(4)3(5)6/h2,4H,1H3,(H,5,6)/p-1	InChI=1/C3H6O3/c1-2(4)3(5)6/h2,4H,1H3,(H,5,6)/p-1/t2-/m0/s1/i1H3,2+1H/fC3H5O3/q-1	['[1H10:13C2]HResonance + [1H10:1H7', '1H8', '1H9]J3HH']		1	InChI=1S/C3H6O3/c1-2(4)3(5)6/h2,4H,1H3,(H,5,6)/p-1	3	integer
Lac-2_4	InChI=1S/C3H6O3/c1-2(4)3(5)6/h2,4H,1H3,(H,5,6)/p-1	InChI=1/C3H6O3/c1-2(4)3(5)6/h2,4H,1H3,(H,5,6)/p-1/t2-/m0/s1/i1H3,2+1H/fC3H5O3/q-1	['[1H10:13C2]HResonance + [1H10:1H7', '1H8', '1H9]J3HH']		1	InChI=1S/C3H6O3/c1-2(4)3(5)6/h2,4H,1H3,(H,5,6)/p-1	4	integer
Lac-3_1	InChI=1S/C3H6O3/c1-2(4)3(5)6/h2,4H,1H3,(H,5,6)/p-1	InChI=1/C3H6O3/c1-2(4)3(5)6/h2,4H,1H3,(H,5,6)/p-1/t2-/m0/s1/i1+1H3,2H/fC3H5O3/q-1	['[1H7', '1H8', '1H9:13C1]HResonance + [1H7', '1H8', '1H9:1H10]J3HH']		3	InChI=1S/C3H6O3/c1-2(4)3(5)6/h2,4H,1H3,(H,5,6)/p-1	1	integer
Lac-3_2	InChI=1S/C3H6O3/c1-2(4)3(5)6/h2,4H,1H3,(H,5,6)/p-1	InChI=1/C3H6O3/c1-2(4)3(5)6/h2,4H,1H3,(H,5,6)/p-1/t2-/m0/s1/i1+1H3,2H/fC3H5O3/q-1	['[1H7', '1H8', '1H9:13C1]HResonance + [1H7', '1H8', '1H9:1H10]J3HH']		3	InChI=1S/C3H6O3/c1-2(4)3(5)6/h2,4H,1H3,(H,5,6)/p-1	2	integer
NAD+-A1'_1	InChI=1S/C21H27N7O14P2/c22-17-12-19(25-7-24-17)28(8-26-12)21-16(32)14(30)11(41-21)6-39-44(36,37)42-43(34,35)38-5-10-13(29)15(31)20(40-10)27-3-1-2-9(4-27)18(23)33/h1-4,7-8,10-11,13-16,20-21,29-32H,5-6H2,(H5-,22,23,24,25,33,34,35,36,37)/p+1/t10-,11-,13-,14-,15-,16-,20-,21-/m1/s1	InChI=1/C21H27N7O14P2/c22-17-12-19(25-7-24-17)28(8-26-12)21-16(32)14(30)11(41-21)6-39-44(36,37)42-43(34,35)38-5-10-13(29)15(31)20(40-10)27-3-1-2-9(4-27)18(23)33/h1-4,7-8,10-11,13-16,20-21,29-32H,5-6H2,(H5-,22,23,24,25,33,34,35,36,37)/p+1/t10-,11-,13-,14-,15-,16-,20-,21-/m1/s1/i16H,21+1H/fC21H28N7O14P2/h34,36H,22-23H2/q+1	[1H62:13C21]HResonance + [1H62:1H60]J3HH		1	InChI=1/C21H27N7O14P2/c22-17-12-19(25-7-24-17)28(8-26-12)21-16(32)14(30)11(41-21)6-39-44(36,37)42-43(34,35)38-5-10-13(29)15(31)20(40-10)27-3-1-2-9(4-27)18(23)33/h1-4,7-8,10-11,13-16,20-21,29-32H,5-6H2,(H5-,22,23,24,25,33,34,35,36,37)/p+1/t10-,11-,13-,14-,15-,16-,20-,21-/m1/s1/fC21H28N7O14P2/h34,36H,22-23H2/q+1	1	integer
NAD+-N1'_1	InChI=1S/C21H27N7O14P2/c22-17-12-19(25-7-24-17)28(8-26-12)21-16(32)14(30)11(41-21)6-39-44(36,37)42-43(34,35)38-5-10-13(29)15(31)20(40-10)27-3-1-2-9(4-27)18(23)33/h1-4,7-8,10-11,13-16,20-21,29-32H,5-6H2,(H5-,22,23,24,25,33,34,35,36,37)/p+1/t10-,11-,13-,14-,15-,16-,20-,21-/m1/s1	InChI=1/C21H27N7O14P2/c22-17-12-19(25-7-24-17)28(8-26-12)21-16(32)14(30)11(41-21)6-39-44(36,37)42-43(34,35)38-5-10-13(29)15(31)20(40-10)27-3-1-2-9(4-27)18(23)33/h1-4,7-8,10-11,13-16,20-21,29-32H,5-6H2,(H5-,22,23,24,25,33,34,35,36,37)/p+1/t10-,11-,13-,14-,15-,16-,20-,21-/m1/s1/i15H,20+1H/fC21H28N7O14P2/h34,36H,22-23H2/q+1	[1H61:13C20]HResonance + [1H61:1H59]J3HH		1	InChI=1/C21H27N7O14P2/c22-17-12-19(25-7-24-17)28(8-26-12)21-16(32)14(30)11(41-21)6-39-44(36,37)42-43(34,35)38-5-10-13(29)15(31)20(40-10)27-3-1-2-9(4-27)18(23)33/h1-4,7-8,10-11,13-16,20-21,29-32H,5-6H2,(H5-,22,23,24,25,33,34,35,36,37)/p+1/t10-,11-,13-,14-,15-,16-,20-,21-/m1/s1/fC21H28N7O14P2/h34,36H,22-23H2/q+1	1	integer
Succinate-2,3_1	InChI=1S/C4H6O4/c5-3(6)1-2-4(7)8/h1-2H2,(H,5,6)(H,7,8)/p-2	InChI=1/C4H6O4/c5-3(6)1-2-4(7)8/h1-2H2,(H,5,6)(H,7,8)/p-2/i1+1H2,2+1H2/fC4H4O4/q-2	['[1H9', '1H10:13C1+1H11', '1H12:13C2]Hresonance']		4	InChI=1S/C4H6O4/c5-3(6)1-2-4(7)8/h1-2H2,(H,5,6)(H,7,8)/p-2	1	integer
UXP-1'_1	['InChI=1S/C9H13N2O9P/c12-5-1-2-11(9(15)10-5)8-7(14)6(13)4(20-8)3-19-21(16,17)18/h1-2,4,6-8,13-14H,3H2,(H,10,12,15)(H2,16,17,18)/p-2/t4-,6-,7-,8-/m1/s1', ' InChI=1S/C9H14N2O12P2/c12-5-1-2-11(9(15)10-5)8-7(14)6(13)4(22-8)3-21-25(19,20)23-24(16,17)18/h1-2,4,6-8,13-14H,3H2,(H,19,20)(H,10,12,15)(H2,16,17,18)/p-2/t4-,6-,7-,8-/m1/s1', ' InChI=1S/C9H15N2O15P3/c12-5-1-2-11(9(15)10-5)8-7(14)6(13)4(24-8)3-23-28(19,20)26-29(21,22)25-27(16,17)18/h1-2,4,6-8,13-14H,3H2,(H,19,20)(H,21,22)(H,10,12,15)(H2,16,17,18)/p-4/t4-,6-,7-,8-/m1/s1']	['InChI=1/C9H13N2O9P/c12-5-1-2-11(9(15)10-5)8-7(14)6(13)4(20-8)3-19-21(16,17)18/h1-2,4,6-8,13-14H,3H2,(H,10,12,15)(H2,16,17,18)/p-2/t4-,6-,7-,8-/m1/s1/i7H,8+1H/fC9H11N2O9P/h10H/q-2', ' InChI=1/C9H14N2O12P2/c12-5-1-2-11(9(15)10-5)8-7(14)6(13)4(22-8)3-21-25(19,20)23-24(16,17)18/h1-2,4,6-8,13-14H,3H2,(H,19,20)(H,10,12,15)(H2,16,17,18)/p-3/t4-,6-,7-,8-/m1/s1/i7H,8+1H/fC9H11N2O12P2/h10H/q-3', ' InChI=1/C9H15N2O15P3/c12-5-1-2-11(9(15)10-5)8-7(14)6(13)4(24-8)3-23-28(19,20)26-29(21,22)25-27(16,17)18/h1-2,4,6-8,13-14H,3H2,(H,19,20)(H,21,22)(H,10,12,15)(H2,16,17,18)/p-4/t4-,6-,7-,8-/m1/s1/i7H,8+1H/fC9H11N2O15P3/h10H/q-4']	['[1H29:13C8]HResonance + [1H29:1H28]J3HH', ' [1H33:13C8]HResonance + [1H33:1H32]J3HH', ' [1H37:13C8]HResonance + [1H37:1H36]J3HH']		1	['InChI=1/C9H13N2O9P/c12-5-1-2-11(9(15)10-5)8-7(14)6(13)4(20-8)3-19-21(16,17)18/h1-2,4,6-8,13-14H,3H2,(H,10,12,15)(H2,16,17,18)/p-2/t4-,6-,7-,8-/m1/s1/fC9H11N2O9P/h10H/q-2', ' InChI=1/C9H14N2O12P2/c12-5-1-2-11(9(15)10-5)8-7(14)6(13)4(22-8)3-21-25(19,20)23-24(16,17)18/h1-2,4,6-8,13-14H,3H2,(H,19,20)(H,10,12,15)(H2,16,17,18)/p-3/t4-,6-,7-,8-/m1/s1/fC9H11N2O12P2/h10H/q-3', ' InChI=1/C9H15N2O15P3/c12-5-1-2-11(9(15)10-5)8-7(14)6(13)4(24-8)3-23-28(19,20)26-29(21,22)25-27(16,17)18/h1-2,4,6-8,13-14H,3H2,(H,19,20)(H,21,22)(H,10,12,15)(H2,16,17,18)/p-4/t4-,6-,7-,8-/m1/s1/fC9H11N2O15P3/h10H/q-4']	1	integer
aGlc_1	InChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3-,4+,5-,6+/m1/s1	InChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3-,4+,5-,6+/m1/s1/i5H,6+1H	[1H19:13C6]HResonance + [1H19:1H18]J3HH		0.35	InChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3-,4+,5-,6+/m1/s1	1	integer
bGlc_1	InChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3-,4+,5-,6-/m1/s1	InChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3-,4+,5-,6-/m1/s1/i5H,6+1H	[1H19:13C6]HResonance + [1H19:1H18]J3HH		0.65	InChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3-,4+,5-,6-/m1/s1	1	integer
bGlc_2	InChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3-,4+,5-,6-/m1/s1	InChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3-,4+,5-,6-/m1/s1/i5H,6+1H	[1H19:13C6]HResonance + [1H19:1H18]J3HH		0.65	InChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3-,4+,5-,6-/m1/s1	2	integer
bGlc_3	InChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3-,4+,5-,6-/m1/s1	InChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3-,4+,5-,6-/m1/s1/i5H,6+1H	[1H19:13C6]HResonance + [1H19:1H18]J3HH		0.65	InChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3-,4+,5-,6-/m1/s1	3	integer
METABOLITES_END
EXTENDED_NMR_METABOLITE_DATA_START
metabolite_name	chemical_shift	peak_area	peak_height	peak_width	sample_id
AXP-1'_1	6.13897133729328	49.61317010842541	0.8799626043089974	16.62931328461804	01_A0_Liver_naive_0days_170427_UKy_GCH_rep1-polar-NMR_A
AXP-1'_1	6.139699449985449	100.5796727497082	2.037517193318411	14.90801230244873	02_A1_Liver_naive_0days_170427_UKy_GCH_rep2-polar-NMR_A
AXP-1'_1	6.139307978995509	89.60549875287371	1.779553863975043	15.17787214887895	03_A2_Liver_naive_0days_170427_UKy_GCH_rep3-polar-NMR_A
AXP-1'_1	6.139534062959057	68.164295757587	1.428487837557096	14.90801230244873	04_B0_Liver_syngenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
AXP-1'_1	6.139524516410986	130.7498813976597	2.473851312511239	15.57901404193814	05_B1_Liver_syngenic_42days_170427_UKy_GCH_rep2-polar-NMR_A
AXP-1'_1	6.139775825800013	104.6881830943141	2.071065854370855	15.51243331018126	06_B2_Liver_syngenic_42days_170427_UKy_GCH_rep3-polar-NMR_A
AXP-1'_1	6.139521410543194	59.53966750399347	1.454771812194159	13.2831093321695	07_C1-1_Liver_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
AXP-1'_1	6.140766402243297	77.78774477632767	1.562183622197607	15.26667851475455	08_C1-2_Liver_allogenic_42days_170427_UKy_GCH_rep2-polar-NMR_A
AXP-1'_1	6.139113476753567	84.66844355730545	1.729711223564445	14.90801230244873	09_C2-0_Liver_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
AXP-1'_1	6.139913594347205	122.4144732949149	2.219662307823105	16.0768348174682	10_B1-0_Liver_syngenic_7days_170427_UKy_GCH_rep1-polar-NMR_A
AXP-1'_1	6.139678640820287	114.6635674678721	2.620793865774468	14.15897119329495	11_B1-1_Liver_syngenic_7days_170427_UKy_GCH_rep2-polar-NMR_A
AXP-1'_1	6.137524755540372	58.07997509989253	1.071793398021516	15.34648325252075	12_B1-2_Liver_syngenic_7days_170427_UKy_GCH_rep3-polar-NMR_A
AXP-1'_1	6.139088885689096	86.29042375842307	1.90272806552889	14.59625265087249	13_C1-1_Liver_allogenic_7days_170427_UKy_GCH_rep1-polar-NMR_A
AXP-1'_1	6.139101581010094	120.8016730177915	2.865850082017823	13.91312420662246	14_C1-2_Liver_allogenic_7days_170427_UKy_GCH_rep2-polar-NMR_A
AXP-1'_1	6.139088989794622	130.2384251227827	2.777806491565376	14.76879854502461	15_C1-20_Liver_allogenic_7days_170427_UKy_GCH_rep3-polar-NMR_A
AXP-2_1	8.25601206204919	6.94193078375273	0.2033413543809333	13.02478926380973	01_A0_Liver_naive_0days_170427_UKy_GCH_rep1-polar-NMR_A
AXP-2_1	8.252356459268826	8.696386753766895	0.3588585899381405	8.989242523014088	02_A1_Liver_naive_0days_170427_UKy_GCH_rep2-polar-NMR_A
AXP-2_1	8.250988362274162	4.121303734090457	0.2240432425434095	6.518750601607362	03_A2_Liver_naive_0days_170427_UKy_GCH_rep3-polar-NMR_A
AXP-2_1	8.251738608701585	3.51429858445715	0.2091183702422721	6.411521191055329	04_B0_Liver_syngenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
AXP-2_1	8.252795907303453	8.480078492854778	0.274037008331313	9.860403815337051	05_B1_Liver_syngenic_42days_170427_UKy_GCH_rep2-polar-NMR_A
AXP-2_1	8.250383557990034	7.881676969987381	0.2838313799852838	8.627343359114864	06_B2_Liver_syngenic_42days_170427_UKy_GCH_rep3-polar-NMR_A
AXP-2_1	8.251319561759646	8.350228997226228	0.2907162046340622	9.649637280501125	07_C1-1_Liver_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
AXP-2_1	8.250186788459802	7.207867400743394	0.2604666444151718	8.341595794527333	08_C1-2_Liver_allogenic_42days_170427_UKy_GCH_rep2-polar-NMR_A
AXP-2_1	8.251188141509601	5.246613795544744	0.224025527871471	7.220517927267838	09_C2-0_Liver_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
AXP-2_1	8.25132097910039	5.699776075087039	0.2260477309177734	7.318908140546911	10_B1-0_Liver_syngenic_7days_170427_UKy_GCH_rep1-polar-NMR_A
AXP-2_1	8.247684840971061	7.554223642203715	0.2644413201164771	10.89870854120409	11_B1-1_Liver_syngenic_7days_170427_UKy_GCH_rep2-polar-NMR_A
AXP-2_1	8.249834602871422	9.669309014717102	0.2499795021170625	10.96253700755022	12_B1-2_Liver_syngenic_7days_170427_UKy_GCH_rep3-polar-NMR_A
AXP-2_1	8.251422813201597	14.91427911771578	0.4691280086804469	9.160840208606398	13_C1-1_Liver_allogenic_7days_170427_UKy_GCH_rep1-polar-NMR_A
AXP-2_1	8.251851107255142	16.43601423812058	0.5333739569471018	8.781700342195732	14_C1-2_Liver_allogenic_7days_170427_UKy_GCH_rep2-polar-NMR_A
AXP-2_1	8.250147899469178	10.97393267736335	0.4263766362935126	7.214056809722328	15_C1-20_Liver_allogenic_7days_170427_UKy_GCH_rep3-polar-NMR_A
AXP-8_1	8.545875870111514	0.6296399320981283	0.0456532168974883	5.261848367548537	01_A0_Liver_naive_0days_170427_UKy_GCH_rep1-polar-NMR_A
AXP-8_1	8.53969560398245	1.818234915460391	0.1129951225040609	6.139145483444316	02_A1_Liver_naive_0days_170427_UKy_GCH_rep2-polar-NMR_A
AXP-8_1	8.536348981880959	0.7786958305125015	0.06689144516512686	4.441352619835262	03_A2_Liver_naive_0days_170427_UKy_GCH_rep3-polar-NMR_A
AXP-8_1	8.536974039635522	3.52603992497682	0.1764661147172067	7.623271788544952	04_B0_Liver_syngenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
AXP-8_1	8.536107653072445	1.18021838368969	0.09018904661511755	4.992576348026176	05_B1_Liver_syngenic_42days_170427_UKy_GCH_rep2-polar-NMR_A
AXP-8_1	8.536038056222457	4.621661714208794	0.1614812198767822	7.989085713918533	06_B2_Liver_syngenic_42days_170427_UKy_GCH_rep3-polar-NMR_A
AXP-8_1	8.53464942521557	4.092546233090854	0.154910758292155	9.966110415719482	07_C1-1_Liver_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
AXP-8_1	8.536022729789456	2.910314633862427	0.1663731418143688	6.673788468937627	08_C1-2_Liver_allogenic_42days_170427_UKy_GCH_rep2-polar-NMR_A
AXP-8_1	8.533211249763	2.493587227710532	0.1145201287428179	8.307304478267717	09_C2-0_Liver_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
AXP-8_1	8.535145170479815	1.677129543863918	0.07845210121166382	8.156002103402002	10_B1-0_Liver_syngenic_7days_170427_UKy_GCH_rep1-polar-NMR_A
AXP-8_1	8.533422992572639	3.320753846075879	0.1432941231128489	8.841466489938409	11_B1-1_Liver_syngenic_7days_170427_UKy_GCH_rep2-polar-NMR_A
AXP-8_1	8.539670264871967	5.161281413216452	0.1084473266257118	15.34725145325018	12_B1-2_Liver_syngenic_7days_170427_UKy_GCH_rep3-polar-NMR_A
AXP-8_1	8.529786463960015	4.929506218384333	0.1223800520619779	15.36763758912501	13_C1-1_Liver_allogenic_7days_170427_UKy_GCH_rep1-polar-NMR_A
AXP-8_1	8.536923035740525	8.93224276927118	0.2646591438841982	9.65764245211542	14_C1-2_Liver_allogenic_7days_170427_UKy_GCH_rep2-polar-NMR_A
AXP-8_1	8.53472308731141	5.659048543640488	0.1771804927273864	12.18550946710208	15_C1-20_Liver_allogenic_7days_170427_UKy_GCH_rep3-polar-NMR_A
Ace-2_1	1.900995450351044	15.4799467825909	0.3256933901131664	18.13331034417659	01_A0_Liver_naive_0days_170427_UKy_GCH_rep1-polar-NMR_A
Ace-2_1	1.905576634759151	32.70925533477639	0.9051789560061997	9.620495933944282	02_A1_Liver_naive_0days_170427_UKy_GCH_rep2-polar-NMR_A
Ace-2_1	1.905215052024582	36.91786084360704	0.8299586298184992	11.21457775658179	03_A2_Liver_naive_0days_170427_UKy_GCH_rep3-polar-NMR_A
Ace-2_1	1.903245770453094	10.29875818989734	0.3209254434815358	11.2547617161188	04_B0_Liver_syngenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
Ace-2_1	1.905080753489114	23.06303641897014	0.7412364424348752	11.87067165203052	05_B1_Liver_syngenic_42days_170427_UKy_GCH_rep2-polar-NMR_A
Ace-2_1	1.905506881939916	71.90626052719769	1.337477559006354	13.23420394691636	06_B2_Liver_syngenic_42days_170427_UKy_GCH_rep3-polar-NMR_A
Ace-2_1	1.901276459339583	26.66177163207805	0.4574049160266956	22.23835429349015	07_C1-1_Liver_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
Ace-2_1	1.906278538071349	27.08122110070673	0.6904671426691369	10.66258395450691	08_C1-2_Liver_allogenic_42days_170427_UKy_GCH_rep2-polar-NMR_A
Ace-2_1	1.906572825424533	31.79770627563674	0.6586892946425856	13.91764016279049	09_C2-0_Liver_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
Ace-2_1	1.903905356932197	23.795719004887	0.6568959341236076	12.70748695623275	10_B1-0_Liver_syngenic_7days_170427_UKy_GCH_rep1-polar-NMR_A
Ace-2_1	1.905684432218488	38.43045889401436	0.8412422529962651	11.46757604259353	11_B1-1_Liver_syngenic_7days_170427_UKy_GCH_rep2-polar-NMR_A
Ace-2_1	1.902191283621248	2.337603540239603	0.1444600746997304	6.173600847421484	12_B1-2_Liver_syngenic_7days_170427_UKy_GCH_rep3-polar-NMR_A
Ace-2_1	1.904247289210992	28.23173896566369	0.7586266861791351	11.00517972960498	13_C1-1_Liver_allogenic_7days_170427_UKy_GCH_rep1-polar-NMR_A
Ace-2_1	1.905430946991073	47.09002639545304	1.034563163077847	11.76019229591714	14_C1-2_Liver_allogenic_7days_170427_UKy_GCH_rep2-polar-NMR_A
Ace-2_1	1.904980747532408	48.351376023029	1.056038795386756	11.54334851774125	15_C1-20_Liver_allogenic_7days_170427_UKy_GCH_rep3-polar-NMR_A
Ala-3_1	1.461861923077909	217.1016711896895	7.215073624142976	8.847127405394083	01_A0_Liver_naive_0days_170427_UKy_GCH_rep1-polar-NMR_A
Ala-3_1	1.462330763467268	414.5324176760156	14.6419838068936	8.432133655231182	02_A1_Liver_naive_0days_170427_UKy_GCH_rep2-polar-NMR_A
Ala-3_1	1.462325769971504	451.1315643481927	14.72602778037975	8.77452577091986	03_A2_Liver_naive_0days_170427_UKy_GCH_rep3-polar-NMR_A
Ala-3_1	1.461592982879638	242.0840308348102	8.698225066820623	8.323508465619307	04_B0_Liver_syngenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
Ala-3_1	1.462274154864558	358.0722902698154	13.21428190612217	8.120722190176183	05_B1_Liver_syngenic_42days_170427_UKy_GCH_rep2-polar-NMR_A
Ala-3_1	1.461913418247353	800.5225815910687	28.64861453509912	8.195605928908046	06_B2_Liver_syngenic_42days_170427_UKy_GCH_rep3-polar-NMR_A
Ala-3_1	1.461755299260023	228.7008539830331	8.586222878317637	8.055238224498702	07_C1-1_Liver_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
Ala-3_1	1.462370284229323	246.1460806110143	9.428456504220508	7.825032596733024	08_C1-2_Liver_allogenic_42days_170427_UKy_GCH_rep2-polar-NMR_A
Ala-3_1	1.462376358527341	288.8525008018574	10.96594921112097	7.922419641584034	09_C2-0_Liver_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
Ala-3_1	1.461861923077909	269.7790918476271	9.937337459541924	7.890736403891029	10_B1-0_Liver_syngenic_7days_170427_UKy_GCH_rep1-polar-NMR_A
Ala-3_1	1.461780630603574	328.2663464814568	12.81333881625245	7.758944595668064	11_B1-1_Liver_syngenic_7days_170427_UKy_GCH_rep2-polar-NMR_A
Ala-3_1	1.46037633993393	330.6670415838114	12.14722077611911	8.018484064762175	12_B1-2_Liver_syngenic_7days_170427_UKy_GCH_rep3-polar-NMR_A
Ala-3_1	1.461821339599336	257.1637915267626	9.174407264377049	8.503586050307986	13_C1-1_Liver_allogenic_7days_170427_UKy_GCH_rep1-polar-NMR_A
Ala-3_1	1.461823793190822	342.4455693201484	12.231740127183	8.651894500283824	14_C1-2_Liver_allogenic_7days_170427_UKy_GCH_rep2-polar-NMR_A
Ala-3_1	1.46185383035763	505.2252134302283	18.46459382548893	8.06445114554877	15_C1-20_Liver_allogenic_7days_170427_UKy_GCH_rep3-polar-NMR_A
Ala-3_2	1.474351167828316	181.8150060501166	6.647892970737371	8.048669032422065	01_A0_Liver_naive_0days_170427_UKy_GCH_rep1-polar-NMR_A
Ala-3_2	1.474979953607457	327.082436062678	13.29125131017639	7.483359703154687	02_A1_Liver_naive_0days_170427_UKy_GCH_rep2-polar-NMR_A
Ala-3_2	1.474919160616231	291.6483416742764	12.42162662909013	7.126820618010089	03_A2_Liver_naive_0days_170427_UKy_GCH_rep3-polar-NMR_A
Ala-3_2	1.474144020919955	228.2421464060243	8.448554064691288	7.844237893393182	04_B0_Liver_syngenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
Ala-3_2	1.474830280346272	311.16496684144	12.50214103265662	7.735065990516793	05_B1_Liver_syngenic_42days_170427_UKy_GCH_rep2-polar-NMR_A
Ala-3_2	1.474539341983329	720.4877780902322	27.47406607226324	7.734731341635431	06_B2_Liver_syngenic_42days_170427_UKy_GCH_rep3-polar-NMR_A
Ala-3_2	1.474296340375448	220.1571989191653	8.510547429096068	7.763500999175655	07_C1-1_Liver_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
Ala-3_2	1.475049745747256	237.3562371940685	9.198472485608791	7.811873474210649	08_C1-2_Liver_allogenic_42days_170427_UKy_GCH_rep2-polar-NMR_A
Ala-3_2	1.474915022135127	280.886406861645	10.73213091328429	7.719449219509465	09_C2-0_Liver_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
Ala-3_2	1.474611626548278	283.5978869556706	10.19480206468448	8.164259771454804	10_B1-0_Liver_syngenic_7days_170427_UKy_GCH_rep1-polar-NMR_A
Ala-3_2	1.474544196350148	376.0690666340357	13.72921215734162	8.077128484216816	11_B1-1_Liver_syngenic_7days_170427_UKy_GCH_rep2-polar-NMR_A
Ala-3_2	1.47293283682925	320.9829665657128	11.9780374538731	7.876651146436346	12_B1-2_Liver_syngenic_7days_170427_UKy_GCH_rep3-polar-NMR_A
Ala-3_2	1.474437637389847	200.4753294611221	8.456692745200323	7.342059992658506	13_C1-1_Liver_allogenic_7days_170427_UKy_GCH_rep1-polar-NMR_A
Ala-3_2	1.474364864620314	254.793440678662	11.17670066323085	7.075449063972994	14_C1-2_Liver_allogenic_7days_170427_UKy_GCH_rep2-polar-NMR_A
Ala-3_2	1.474406608627951	464.1894348244197	17.8134973303892	7.685774040584833	15_C1-20_Liver_allogenic_7days_170427_UKy_GCH_rep3-polar-NMR_A
CXP-6_1	8.140363567014647	1.068422548125476	0.0540747398980909	7.538155885381101	01_A0_Liver_naive_0days_170427_UKy_GCH_rep1-polar-NMR_A
CXP-6_1	8.146011713941558	2.004033150619685	0.09488318135689056	6.810948299780389	02_A1_Liver_naive_0days_170427_UKy_GCH_rep2-polar-NMR_A
CXP-6_1	8.158485488742123	0.2096207339222071	0.01917675201262335	4.170396817281953	03_A2_Liver_naive_0days_170427_UKy_GCH_rep3-polar-NMR_A
CXP-6_1	8.131960684912803	0.6368621957914851	0.0374299313357298	6.491445876262759	04_B0_Liver_syngenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
CXP-6_1	8.144504312994258	0.4722085578174333	0.03650230725756356	4.93547979900653	05_B1_Liver_syngenic_42days_170427_UKy_GCH_rep2-polar-NMR_A
CXP-6_1	8.154719348151904	1.136059574036872	0.04136419382706256	10.47832400896034	06_B2_Liver_syngenic_42days_170427_UKy_GCH_rep3-polar-NMR_A
CXP-6_1	8.145660291589282	1.220952165372671	0.06182131247755168	6.368722830306676	07_C1-1_Liver_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
CXP-6_1	8.142770857345786	1.005337362839289	0.04425516296207826	8.666873373756536	08_C1-2_Liver_allogenic_42days_170427_UKy_GCH_rep2-polar-NMR_A
CXP-6_1	8.148005881860726	3.004048846241298	0.1052770238118726	9.631077565268507	09_C2-0_Liver_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
CXP-6_1	8.1449149084913	0.6339674001657066	0.03584827513715284	6.747079377044368	10_B1-0_Liver_syngenic_7days_170427_UKy_GCH_rep1-polar-NMR_A
CXP-6_1	8.143543343009284	1.7019811794645	0.06628170063026369	9.796670529145725	11_B1-1_Liver_syngenic_7days_170427_UKy_GCH_rep2-polar-NMR_A
CXP-6_1	8.166419571844068	4.344610635235292	0.130344243284198	10.58022945335363	12_B1-2_Liver_syngenic_7days_170427_UKy_GCH_rep3-polar-NMR_A
CXP-6_1	8.142440317600341	4.695150224115171	0.1328340785473144	10.86322117242013	13_C1-1_Liver_allogenic_7days_170427_UKy_GCH_rep1-polar-NMR_A
CXP-6_1	8.135546366778541	4.472370228153812	0.1347255124139762	12.66491407728143	14_C1-2_Liver_allogenic_7days_170427_UKy_GCH_rep2-polar-NMR_A
CXP-6_1	8.131946233126996	7.906655154851344	0.1804703851406088	16.71493303495762	15_C1-20_Liver_allogenic_7days_170427_UKy_GCH_rep3-polar-NMR_A
Cys-3-GSH_1	2.94347788364553	30.20035415266258	0.6030273833684489	14.56461511332479	05_B1_Liver_syngenic_42days_170427_UKy_GCH_rep2-polar-NMR_A
Cys-3-GSH_1	2.944284423078437	29.83648284716793	0.5518175870854949	14.86500885384218	06_B2_Liver_syngenic_42days_170427_UKy_GCH_rep3-polar-NMR_A
Cys-3-GSH_1	2.944520000546311	36.62172465416317	0.5633191550831558	18.22763695948624	07_C1-1_Liver_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
Cys-3-GSH_1	2.94490411377696	27.25361342491572	0.4555436699674448	15.78495420259277	09_C2-0_Liver_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
Cys-3-GSH_1	2.945871103690642	18.4818433651417	0.5135047514087784	12.51157988867308	10_B1-0_Liver_syngenic_7days_170427_UKy_GCH_rep1-polar-NMR_A
Cys-3-GSH_1	2.94372014118431	35.74560556561836	0.7648986741372842	13.04486830782074	11_B1-1_Liver_syngenic_7days_170427_UKy_GCH_rep2-polar-NMR_A
Cys-3-GSH_1	2.942925820851846	30.89824640322328	0.437157538090868	17.39856715425219	13_C1-1_Liver_allogenic_7days_170427_UKy_GCH_rep1-polar-NMR_A
Cys-3-GSH_1	2.943759437025374	78.25833091100549	1.213974505531408	17.13332034264897	14_C1-2_Liver_allogenic_7days_170427_UKy_GCH_rep2-polar-NMR_A
Cys-3-GSH_1	2.943451200986039	56.1297863511264	0.8822768079172014	16.53585783873784	15_C1-20_Liver_allogenic_7days_170427_UKy_GCH_rep3-polar-NMR_A
DSS_1	0.0001975290461078159	38.39585999877939	1.479785595482879	7.841105437413349	01_A0_Liver_naive_0days_170427_UKy_GCH_rep1-polar-NMR_A
DSS_1	0.0004733794199429251	38.53037982655515	1.548409039323606	7.339376145277558	02_A1_Liver_naive_0days_170427_UKy_GCH_rep2-polar-NMR_A
DSS_1	0.0006144544780315534	33.55326459782588	1.431023888335558	7.168029917627281	03_A2_Liver_naive_0days_170427_UKy_GCH_rep3-polar-NMR_A
DSS_1	-0.0002732550405979518	36.79907212911171	1.544549803800963	7.229150579630813	04_B0_Liver_syngenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
DSS_1	0.0004369745064531274	33.55340180828411	1.468529421003761	7.134529834239599	05_B1_Liver_syngenic_42days_170427_UKy_GCH_rep2-polar-NMR_A
DSS_1	0.0004570559012959148	31.73350622349083	1.434456648113036	6.808548976732025	06_B2_Liver_syngenic_42days_170427_UKy_GCH_rep3-polar-NMR_A
DSS_1	0.0001773378147417565	35.29577941872291	1.476021444437522	7.052963936225461	07_C1-1_Liver_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
DSS_1	0.0004733794199429251	35.17764338240784	1.499305620122112	7.12182602526856	08_C1-2_Liver_allogenic_42days_170427_UKy_GCH_rep2-polar-NMR_A
DSS_1	4.109976913559724e-05	37.80171540827976	1.480551985594762	7.53059689419266	09_C2-0_Liver_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
DSS_1	0.0004733794199429251	35.13133912118206	1.480416026917024	7.181089537432462	10_B1-0_Liver_syngenic_7days_170427_UKy_GCH_rep1-polar-NMR_A
DSS_1	0.0004259256759963556	34.61404429128424	1.499926250915797	7.190703350166319	11_B1-1_Liver_syngenic_7days_170427_UKy_GCH_rep2-polar-NMR_A
DSS_1	0.000357777668247507	40.7858896508852	1.647538015365516	7.462460942957816	12_B1-2_Liver_syngenic_7days_170427_UKy_GCH_rep3-polar-NMR_A
DSS_1	2.659948695155648e-05	32.28014532343381	1.429089687889773	7.021226110770522	13_C1-1_Liver_allogenic_7days_170427_UKy_GCH_rep1-polar-NMR_A
DSS_1	-0.0003296898697969728	32.37709397685742	1.413964468718305	7.032263550264342	14_C1-2_Liver_allogenic_7days_170427_UKy_GCH_rep2-polar-NMR_A
DSS_1	0.0001699103344582441	36.58691054633888	1.498546063677685	7.446901136283151	15_C1-20_Liver_allogenic_7days_170427_UKy_GCH_rep3-polar-NMR_A
GSH+GSSG-3_1	2.149133075205099	143.5446058790447	1.833048707497387	26.61242235625739	01_A0_Liver_naive_0days_170427_UKy_GCH_rep1-polar-NMR_A
GSH+GSSG-3_1	2.132229715815894	340.7977808125068	4.114167244890572	23.153420710341	02_A1_Liver_naive_0days_170427_UKy_GCH_rep2-polar-NMR_A
GSH+GSSG-3_1	2.13547473809865	109.8971070818546	2.61800172985595	10.99035946542713	03_A2_Liver_naive_0days_170427_UKy_GCH_rep3-polar-NMR_A
GSH+GSSG-3_1	2.148930486633623	317.8534103716353	4.206799928131239	23.69241111738498	04_B0_Liver_syngenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
GSH+GSSG-3_1	2.135401868459604	107.5949288442284	2.70597831998269	10.02467572209473	05_B1_Liver_syngenic_42days_170427_UKy_GCH_rep2-polar-NMR_A
GSH+GSSG-3_1	2.131626818968625	286.4736356394216	3.56797982275046	23.57471210598795	06_B2_Liver_syngenic_42days_170427_UKy_GCH_rep3-polar-NMR_A
GSH+GSSG-3_1	2.134993899859936	150.6213558680138	4.323075727011181	9.425753296895854	07_C1-1_Liver_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
GSH+GSSG-3_1	2.135259236467817	180.1267091355148	3.614615064126117	12.55286219445225	08_C1-2_Liver_allogenic_42days_170427_UKy_GCH_rep2-polar-NMR_A
GSH+GSSG-3_1	2.135727803105885	151.1727943825202	3.826152443320259	10.53358194015084	09_C2-0_Liver_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
GSH+GSSG-3_1	2.149443484616046	301.5782537459445	5.222947437401554	14.21353129309953	10_B1-0_Liver_syngenic_7days_170427_UKy_GCH_rep1-polar-NMR_A
GSH+GSSG-3_1	2.135765693077859	162.9491901040266	3.904025663636626	10.76208809493164	11_B1-1_Liver_syngenic_7days_170427_UKy_GCH_rep2-polar-NMR_A
GSH+GSSG-3_1	2.131436940669369	151.8093432591132	2.159613539855903	19.75634922011709	12_B1-2_Liver_syngenic_7days_170427_UKy_GCH_rep3-polar-NMR_A
GSH+GSSG-3_1	2.134957493006871	137.5354758453269	3.678160071196621	10.13579848762213	13_C1-1_Liver_allogenic_7days_170427_UKy_GCH_rep1-polar-NMR_A
GSH+GSSG-3_1	2.134168000471099	229.2484230120013	5.561278723114362	10.93723836225169	14_C1-2_Liver_allogenic_7days_170427_UKy_GCH_rep2-polar-NMR_A
GSH+GSSG-3_1	2.134899060272828	170.7137379290762	4.358821823041128	10.70544432600164	15_C1-20_Liver_allogenic_7days_170427_UKy_GCH_rep3-polar-NMR_A
GSH+GSSG-3_2	2.149666828982329	154.3299154239665	3.382272163455932	11.86517240478346	02_A1_Liver_naive_0days_170427_UKy_GCH_rep2-polar-NMR_A
GSH+GSSG-3_2	2.148774140565919	159.0686794672356	3.563554942920495	11.50909866265287	03_A2_Liver_naive_0days_170427_UKy_GCH_rep3-polar-NMR_A
GSH+GSSG-3_2	2.14935231009244	345.1622533939835	5.822219893974269	15.4522024176951	05_B1_Liver_syngenic_42days_170427_UKy_GCH_rep2-polar-NMR_A
GSH+GSSG-3_2	2.148965513076464	221.6215432755697	4.305510066516451	12.88834781092016	06_B2_Liver_syngenic_42days_170427_UKy_GCH_rep3-polar-NMR_A
GSH+GSSG-3_2	2.148323571733914	320.264395489816	7.315472091649141	11.90155038171275	07_C1-1_Liver_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
GSH+GSSG-3_2	2.148963359405966	132.0697233042025	3.468099907692808	10.08930017027717	08_C1-2_Liver_allogenic_42days_170427_UKy_GCH_rep2-polar-NMR_A
GSH+GSSG-3_2	2.148845145624981	222.202851869052	5.785334522681561	10.42305864346005	09_C2-0_Liver_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
GSH+GSSG-3_2	2.162181825159823	146.6010737726542	3.369926205047914	11.38053510102201	10_B1-0_Liver_syngenic_7days_170427_UKy_GCH_rep1-polar-NMR_A
GSH+GSSG-3_2	2.149037253902028	303.6184469120827	6.509432083287603	12.14459192701085	11_B1-1_Liver_syngenic_7days_170427_UKy_GCH_rep2-polar-NMR_A
GSH+GSSG-3_2	2.147005978611046	138.1339777488055	3.020864825485216	11.53521569187125	12_B1-2_Liver_syngenic_7days_170427_UKy_GCH_rep3-polar-NMR_A
GSH+GSSG-3_2	2.148157112471219	179.6874100334659	4.506384917207555	10.6960705730317	13_C1-1_Liver_allogenic_7days_170427_UKy_GCH_rep1-polar-NMR_A
GSH+GSSG-3_2	2.148033268619498	371.4556279463663	8.594984840970351	11.64016195344801	14_C1-2_Liver_allogenic_7days_170427_UKy_GCH_rep2-polar-NMR_A
GSH+GSSG-3_2	2.148607965767968	270.2959041196117	6.467335939459785	11.30860472063611	15_C1-20_Liver_allogenic_7days_170427_UKy_GCH_rep3-polar-NMR_A
GSH+GSSG-3_3	2.162731505389103	100.7502067332034	2.723847344263056	10.22471242961479	02_A1_Liver_naive_0days_170427_UKy_GCH_rep2-polar-NMR_A
GSH+GSSG-3_3	2.161869019442665	111.7731188263647	2.641812256492595	11.52416784528883	03_A2_Liver_naive_0days_170427_UKy_GCH_rep3-polar-NMR_A
GSH+GSSG-3_3	2.162968882259469	114.4684880313934	2.898496578355124	10.87327786180212	05_B1_Liver_syngenic_42days_170427_UKy_GCH_rep2-polar-NMR_A
GSH+GSSG-3_3	2.161967343815846	125.5651582655026	3.196678037075751	10.82026789709533	06_B2_Liver_syngenic_42days_170427_UKy_GCH_rep3-polar-NMR_A
GSH+GSSG-3_3	2.161693614074965	182.5388312919193	5.036158223163476	10.29030651777236	07_C1-1_Liver_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
GSH+GSSG-3_3	2.161981572528942	130.1295063504072	3.020911299008708	11.47255660373965	08_C1-2_Liver_allogenic_42days_170427_UKy_GCH_rep2-polar-NMR_A
GSH+GSSG-3_3	2.162217213135103	201.7326134075253	5.070680628012102	11.36516753015745	09_C2-0_Liver_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
GSH+GSSG-3_3	2.16252771586206	262.0652870968476	5.559981337496998	12.74264153938156	11_B1-1_Liver_syngenic_7days_170427_UKy_GCH_rep2-polar-NMR_A
GSH+GSSG-3_3	2.159769804516819	106.6023028107756	2.594470026661199	11.35711082409073	12_B1-2_Liver_syngenic_7days_170427_UKy_GCH_rep3-polar-NMR_A
GSH+GSSG-3_3	2.161217213135103	139.2812934365496	3.450509001551511	11.25942847705333	13_C1-1_Liver_allogenic_7days_170427_UKy_GCH_rep1-polar-NMR_A
GSH+GSSG-3_3	2.161175035773322	239.2390082006047	6.433739776166502	10.50838687653259	14_C1-2_Liver_allogenic_7days_170427_UKy_GCH_rep2-polar-NMR_A
GSH+GSSG-3_3	2.161682551759868	224.31067246724	5.087346006054426	11.83838590850376	15_C1-20_Liver_allogenic_7days_170427_UKy_GCH_rep3-polar-NMR_A
GSH+GSSG-3_4	2.174370268324275	23.33199219240232	1.105369725650772	7.027053359458248	07_C1-1_Liver_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
GSH+GSSG-3_4	2.173662513239774	33.94403614194628	1.404946703958868	7.333620271409828	14_C1-2_Liver_allogenic_7days_170427_UKy_GCH_rep2-polar-NMR_A
GSH+GSSG-4_1	2.540906190431163	57.78736253356049	0.7278706048187981	27.27788624913736	01_A0_Liver_naive_0days_170427_UKy_GCH_rep1-polar-NMR_A
GSH+GSSG-4_1	2.540969857215062	151.6981995656156	1.529902196323359	28.44024537793632	02_A1_Liver_naive_0days_170427_UKy_GCH_rep2-polar-NMR_A
GSH+GSSG-4_1	2.532629421721789	114.794060752695	1.120336477645972	38.99179117492911	03_A2_Liver_naive_0days_170427_UKy_GCH_rep3-polar-NMR_A
GSH+GSSG-4_1	2.539906190431164	95.42937202426175	1.161439597409511	22.93540354222882	04_B0_Liver_syngenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
GSH+GSSG-4_1	2.540276638066291	249.5211392265767	2.384019306052325	29.64956927422647	05_B1_Liver_syngenic_42days_170427_UKy_GCH_rep2-polar-NMR_A
GSH+GSSG-4_1	2.540175130629434	144.326734732686	1.599113248024782	25.19350043017695	06_B2_Liver_syngenic_42days_170427_UKy_GCH_rep3-polar-NMR_A
GSH+GSSG-4_1	2.535918081938663	157.1363827255987	1.788688844294455	33.49821588819746	07_C1-1_Liver_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
GSH+GSSG-4_1	2.532119926276191	46.30524536869378	0.5153238557250568	34.26333767242192	08_C1-2_Liver_allogenic_42days_170427_UKy_GCH_rep2-polar-NMR_A
GSH+GSSG-4_1	2.540906190431163	162.9862739354548	1.578592724321424	29.52605406279105	09_C2-0_Liver_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
GSH+GSSG-4_1	2.538699866753325	136.4895563039425	1.467782818045791	32.07268571652195	10_B1-0_Liver_syngenic_7days_170427_UKy_GCH_rep1-polar-NMR_A
GSH+GSSG-4_1	2.516335728985357	102.264854049887	1.374690307856536	20.22361409558681	11_B1-1_Liver_syngenic_7days_170427_UKy_GCH_rep2-polar-NMR_A
GSH+GSSG-4_1	2.526597387578289	105.8848865884512	1.13313291545504	35.63139655706276	12_B1-2_Liver_syngenic_7days_170427_UKy_GCH_rep3-polar-NMR_A
GSH+GSSG-4_1	2.539683082048785	177.1122459201505	1.65278289748066	28.4231110101431	13_C1-1_Liver_allogenic_7days_170427_UKy_GCH_rep1-polar-NMR_A
GSH+GSSG-4_1	2.514940995146953	95.94076338153414	1.556938160812339	16.08798027093445	14_C1-2_Liver_allogenic_7days_170427_UKy_GCH_rep2-polar-NMR_A
GSH+GSSG-4_1	2.516142513282756	85.51160267565832	1.463802551955619	14.38394591248001	15_C1-20_Liver_allogenic_7days_170427_UKy_GCH_rep3-polar-NMR_A
GSH+GSSG-4_2	2.540068174930156	124.0825805195804	2.121469075136814	14.5922812195904	11_B1-1_Liver_syngenic_7days_170427_UKy_GCH_rep2-polar-NMR_A
GSH+GSSG-4_2	2.538990855985873	230.9079512568131	3.579390052715771	17.56786577550381	14_C1-2_Liver_allogenic_7days_170427_UKy_GCH_rep2-polar-NMR_A
GSH+GSSG-4_2	2.538250524111958	136.3588974589001	2.473008049829374	14.85825961407717	15_C1-20_Liver_allogenic_7days_170427_UKy_GCH_rep3-polar-NMR_A
GSH+GSSG-4_3	2.557121774387029	53.17572675600501	1.282151966229367	12.96674028540509	11_B1-1_Liver_syngenic_7days_170427_UKy_GCH_rep2-polar-NMR_A
GSH+GSSG-4_3	2.553796326664031	49.42382774792203	1.627499139857882	8.413260278655143	14_C1-2_Liver_allogenic_7days_170427_UKy_GCH_rep2-polar-NMR_A
GSH+GSSG-4_3	2.554307973725391	70.78795170100211	1.520945516225545	11.45679948106829	15_C1-20_Liver_allogenic_7days_170427_UKy_GCH_rep3-polar-NMR_A
Gln+Glu-2_1	3.769960994746882	2047.513662809143	29.73369545043086	18.86896953168885	01_A0_Liver_naive_0days_170427_UKy_GCH_rep1-polar-NMR_A
Gln+Glu-2_1	3.753734401500981	561.4866303065857	12.56698443919045	12.75647865750281	02_A1_Liver_naive_0days_170427_UKy_GCH_rep2-polar-NMR_A
Gln+Glu-2_1	3.754200892962216	656.0767551897364	11.2755468002383	15.88239630716016	03_A2_Liver_naive_0days_170427_UKy_GCH_rep3-polar-NMR_A
Gln+Glu-2_1	3.753619840215801	563.48945573748	12.44976174063076	12.92004555924936	04_B0_Liver_syngenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
Gln+Glu-2_1	3.75396707067469	615.855595150888	15.15692175371763	11.98421071619769	05_B1_Liver_syngenic_42days_170427_UKy_GCH_rep2-polar-NMR_A
Gln+Glu-2_1	3.754105328888752	935.3154182444673	22.37987453699581	11.98718000249076	06_B2_Liver_syngenic_42days_170427_UKy_GCH_rep3-polar-NMR_A
Gln+Glu-2_1	3.755681244514053	136.4277721414081	3.747753033914603	12.60043927344532	07_C1-1_Liver_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
Gln+Glu-2_1	3.753045630212738	108.1259202369048	3.158918257877132	9.880778546236874	08_C1-2_Liver_allogenic_42days_170427_UKy_GCH_rep2-polar-NMR_A
Gln+Glu-2_1	3.753247495055755	309.8088960076758	9.577045176935462	10.06757138860345	09_C2-0_Liver_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
Gln+Glu-2_1	3.754295529513055	728.9365241686285	17.86760389582472	11.86422207155624	10_B1-0_Liver_syngenic_7days_170427_UKy_GCH_rep1-polar-NMR_A
Gln+Glu-2_1	3.755574604629645	264.3729883535533	7.363139972166409	11.56525258475749	11_B1-1_Liver_syngenic_7days_170427_UKy_GCH_rep2-polar-NMR_A
Gln+Glu-2_1	3.751465461302711	551.3337174661581	9.09319013741651	16.79855606081616	12_B1-2_Liver_syngenic_7days_170427_UKy_GCH_rep3-polar-NMR_A
Gln+Glu-2_1	3.757394287826525	171.2759723479417	5.941562882034826	10.28081482173368	13_C1-1_Liver_allogenic_7days_170427_UKy_GCH_rep1-polar-NMR_A
Gln+Glu-2_1	3.767502628526728	1924.383636360556	28.38715110927062	19.10891924781679	14_C1-2_Liver_allogenic_7days_170427_UKy_GCH_rep2-polar-NMR_A
Gln+Glu-2_1	3.768426929125098	1485.308867291809	27.66238039801019	16.32562724761154	15_C1-20_Liver_allogenic_7days_170427_UKy_GCH_rep3-polar-NMR_A
Gln+Glu-2_2	3.77077335636257	4004.320489098004	66.5262538666986	16.36337932164993	02_A1_Liver_naive_0days_170427_UKy_GCH_rep2-polar-NMR_A
Gln+Glu-2_2	3.770448575648506	3703.326776829826	59.7549157311273	16.4197965674887	03_A2_Liver_naive_0days_170427_UKy_GCH_rep3-polar-NMR_A
Gln+Glu-2_2	3.770937348983417	2967.025980880154	49.91915348459367	16.31304060917439	04_B0_Liver_syngenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
Gln+Glu-2_2	3.770868384474093	3951.825483490798	71.8984603919447	15.6551259509171	05_B1_Liver_syngenic_42days_170427_UKy_GCH_rep2-polar-NMR_A
Gln+Glu-2_2	3.771174301588012	4647.536128398784	87.00289822485021	15.28613773827357	06_B2_Liver_syngenic_42days_170427_UKy_GCH_rep3-polar-NMR_A
Gln+Glu-2_2	3.769131917893678	1442.269429295936	25.25464588296953	15.94138546898201	07_C1-1_Liver_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
Gln+Glu-2_2	3.769179797348404	1308.55489143398	24.6038483878937	16.10172707684545	08_C1-2_Liver_allogenic_42days_170427_UKy_GCH_rep2-polar-NMR_A
Gln+Glu-2_2	3.769268982294092	1402.558071192608	32.93536271194127	14.09388514984014	09_C2-0_Liver_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
Gln+Glu-2_2	3.771145469383831	4250.901936043616	74.43771410690462	15.94075939617392	10_B1-0_Liver_syngenic_7days_170427_UKy_GCH_rep1-polar-NMR_A
Gln+Glu-2_2	3.771076951994887	3661.261772563016	66.31466422028878	15.41140219905968	11_B1-1_Liver_syngenic_7days_170427_UKy_GCH_rep2-polar-NMR_A
Gln+Glu-2_2	3.768414206744003	2009.484637372874	33.05782970233844	16.96802520653769	12_B1-2_Liver_syngenic_7days_170427_UKy_GCH_rep3-polar-NMR_A
Gln+Glu-2_2	3.770128910088995	992.3806330034653	18.01058984682525	14.97916419357927	13_C1-1_Liver_allogenic_7days_170427_UKy_GCH_rep1-polar-NMR_A
Gln-3_1	2.121732254600194	113.5473369919328	2.098411082228097	14.34557631469772	03_A2_Liver_naive_0days_170427_UKy_GCH_rep3-polar-NMR_A
Gln-3_1	2.121990123693347	126.8915861579083	2.538380739749424	13.21488374800964	05_B1_Liver_syngenic_42days_170427_UKy_GCH_rep2-polar-NMR_A
Gln-3_1	2.120198424349394	221.9612887105907	4.093192334853346	15.17874147805845	07_C1-1_Liver_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
Gln-3_1	2.121934423924461	65.91380264054531	1.814877773439453	9.922036494020121	08_C1-2_Liver_allogenic_42days_170427_UKy_GCH_rep2-polar-NMR_A
Gln-3_1	2.121263728855058	166.5664214745539	2.862250436692033	15.83697464335689	09_C2-0_Liver_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
Gln-3_1	2.129929867293673	182.3061852577368	2.865643893972341	20.42549036413307	10_B1-0_Liver_syngenic_7days_170427_UKy_GCH_rep1-polar-NMR_A
Gln-3_1	2.122286351806359	142.4992774297459	2.76391686969394	13.48502270571372	11_B1-1_Liver_syngenic_7days_170427_UKy_GCH_rep2-polar-NMR_A
Gln-3_1	2.121739983841691	111.8921568054454	2.865541862012169	11.00677123282054	13_C1-1_Liver_allogenic_7days_170427_UKy_GCH_rep1-polar-NMR_A
Gln-3_1	2.119997114849664	213.7726367582659	3.881286535286184	14.23045900094526	14_C1-2_Liver_allogenic_7days_170427_UKy_GCH_rep2-polar-NMR_A
Gln-3_1	2.118480368734334	273.6439174979533	3.779185667725247	20.19058611205832	15_C1-20_Liver_allogenic_7days_170427_UKy_GCH_rep3-polar-NMR_A
Gln-4_1	2.44482894090603	37.3487958528171	0.414090124497307	25.17692461838713	01_A0_Liver_naive_0days_170427_UKy_GCH_rep1-polar-NMR_A
Gln-4_1	2.432416230949591	13.27633101191266	0.599760569441369	6.234195830879274	02_A1_Liver_naive_0days_170427_UKy_GCH_rep2-polar-NMR_A
Gln-4_1	2.43258066789455	16.22306538347137	0.6363710217856938	7.199271540161917	03_A2_Liver_naive_0days_170427_UKy_GCH_rep3-polar-NMR_A
Gln-4_1	2.430714954544435	17.13877412095506	0.3565279866555817	14.97911360213292	04_B0_Liver_syngenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
Gln-4_1	2.432337864000018	14.78774215852536	0.7252975366452158	6.188714590845575	05_B1_Liver_syngenic_42days_170427_UKy_GCH_rep2-polar-NMR_A
Gln-4_1	2.432050649534121	14.27332559090051	0.6929251228796491	6.047776651075394	06_B2_Liver_syngenic_42days_170427_UKy_GCH_rep3-polar-NMR_A
Gln-4_1	2.431746530303164	13.9824815792166	0.6309012794259797	6.468324942099423	07_C1-1_Liver_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
Gln-4_1	2.433202619049739	13.80585270290829	0.53	8.4	08_C1-2_Liver_allogenic_42days_170427_UKy_GCH_rep2-polar-NMR_A
Gln-4_1	2.432213747051479	15.83532890751109	0.65	6.800403466444536	09_C2-0_Liver_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
Gln-4_1	2.432786682838095	14.16858286768996	0.41	9.646360901584472	10_B1-0_Liver_syngenic_7days_170427_UKy_GCH_rep1-polar-NMR_A
Gln-4_1	2.432561062676024	15.01239265107145	0.6863463400396658	6.46456714644536	11_B1-1_Liver_syngenic_7days_170427_UKy_GCH_rep2-polar-NMR_A
Gln-4_1	2.430991073119866	15.39380400258999	0.49	8.76941900144043	12_B1-2_Liver_syngenic_7days_170427_UKy_GCH_rep3-polar-NMR_A
Gln-4_1	2.431687208270062	12.97080858965033	0.5585843414000128	6.481853958317051	13_C1-1_Liver_allogenic_7days_170427_UKy_GCH_rep1-polar-NMR_A
Gln-4_1	2.417819203542279	12.76666427424828	0.4952423156954443	7.061503550709112	14_C1-2_Liver_allogenic_7days_170427_UKy_GCH_rep2-polar-NMR_A
Gln-4_1	2.431709339775146	29.80254785442887	1.350820691989543	6.419811595982703	15_C1-20_Liver_allogenic_7days_170427_UKy_GCH_rep3-polar-NMR_A
Gln-4_2	2.446973917668312	14.22038027038005	0.5789701925385865	6.856081211629332	02_A1_Liver_naive_0days_170427_UKy_GCH_rep2-polar-NMR_A
Gln-4_2	2.446980947392489	9.745864665255501	0.4848851196394681	6.058915311156788	03_A2_Liver_naive_0days_170427_UKy_GCH_rep3-polar-NMR_A
Gln-4_2	2.450900534916329	22.77366078144885	0.3957317876149598	18.5576863685651	04_B0_Liver_syngenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
Gln-4_2	2.446302935298857	17.65718279993106	0.7410850095061046	6.880381238143693	05_B1_Liver_syngenic_42days_170427_UKy_GCH_rep2-polar-NMR_A
Gln-4_2	2.446615318622812	14.79008969614974	0.6566762349800092	6.421724993735015	06_B2_Liver_syngenic_42days_170427_UKy_GCH_rep3-polar-NMR_A
Gln-4_2	2.446137369947949	20.18071620991734	0.733142306037163	7.601007696230733	07_C1-1_Liver_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
Gln-4_2	2.447766204315299	12.43131220032638	0.4882473754951784	7.542470080629756	08_C1-2_Liver_allogenic_42days_170427_UKy_GCH_rep2-polar-NMR_A
Gln-4_2	2.446983384132711	15.40865530228543	0.67	6.584399713897045	09_C2-0_Liver_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
Gln-4_2	2.446807944694902	11.1839200405623	0.4612701113447538	7.005157190499752	10_B1-0_Liver_syngenic_7days_170427_UKy_GCH_rep1-polar-NMR_A
Gln-4_2	2.446531976666297	16.73624822506189	0.7227565246109076	6.680147767903895	11_B1-1_Liver_syngenic_7days_170427_UKy_GCH_rep2-polar-NMR_A
Gln-4_2	2.444650848691735	15.40449647601192	0.5	8.6	12_B1-2_Liver_syngenic_7days_170427_UKy_GCH_rep3-polar-NMR_A
Gln-4_2	2.446330535809743	20.53688151149937	0.6834985634018625	8.126588474051955	13_C1-1_Liver_allogenic_7days_170427_UKy_GCH_rep1-polar-NMR_A
Gln-4_2	2.431723665933297	43.25326777092067	1.714906161978799	7.079468411036707	14_C1-2_Liver_allogenic_7days_170427_UKy_GCH_rep2-polar-NMR_A
Gln-4_2	2.446300628675017	48.23071341782184	1.548441845794579	8.167685267400033	15_C1-20_Liver_allogenic_7days_170427_UKy_GCH_rep3-polar-NMR_A
Gln-4_3	2.446283308244479	56.46774463856813	1.922602618509713	7.984507808768742	14_C1-2_Liver_allogenic_7days_170427_UKy_GCH_rep2-polar-NMR_A
Glu-3-a_1	2.070977356647369	20.538833424108	0.6016397216406443	9.529282882083828	03_A2_Liver_naive_0days_170427_UKy_GCH_rep3-polar-NMR_A
Glu-3-a_1	2.056944601686005	48.46578263805083	0.4991652443831198	28.63732478880983	05_B1_Liver_syngenic_42days_170427_UKy_GCH_rep2-polar-NMR_A
Glu-3-a_1	2.053289302677356	54.36175224395248	1.049215104639123	13.30065643722607	06_B2_Liver_syngenic_42days_170427_UKy_GCH_rep3-polar-NMR_A
Glu-3-a_1	2.053879375858787	119.4660107332086	0.9339641659885272	33.04887253438027	07_C1-1_Liver_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
Glu-3-a_1	2.0618609074641	55.26218038590772	0.5358065781666718	33.66613637550648	10_B1-0_Liver_syngenic_7days_170427_UKy_GCH_rep1-polar-NMR_A
Glu-3-a_1	2.057341702064061	74.11867060455158	0.5195275607446089	40.33981734315026	11_B1-1_Liver_syngenic_7days_170427_UKy_GCH_rep2-polar-NMR_A
Glu-3-a_1	2.053020362479085	110.346849839549	0.9355644048916862	31.52721169619114	13_C1-1_Liver_allogenic_7days_170427_UKy_GCH_rep1-polar-NMR_A
Glu-3-a_1	2.049907539619478	199.4607623312663	1.497145528413289	35.65929416693162	14_C1-2_Liver_allogenic_7days_170427_UKy_GCH_rep2-polar-NMR_A
Glu-3-a_1	2.050948936984529	199.1130444180107	2.028340691574761	28.55966921939298	15_C1-20_Liver_allogenic_7days_170427_UKy_GCH_rep3-polar-NMR_A
Glu-3-a_2	2.069851097682372	23.1462349204577	0.8067498158100875	8.441407008285157	06_B2_Liver_syngenic_42days_170427_UKy_GCH_rep3-polar-NMR_A
Glu-3-a_2	2.070371666764991	27.4415397064962	0.7589740609817283	9.980807761779872	14_C1-2_Liver_allogenic_7days_170427_UKy_GCH_rep2-polar-NMR_A
Glu-4_1	2.341463303888363	20.87403667387389	0.2460893421428545	23.67743130388916	01_A0_Liver_naive_0days_170427_UKy_GCH_rep1-polar-NMR_A
Glu-4_1	2.332780317354915	47.28190941862223	0.8361277336441079	15.78495420259277	02_A1_Liver_naive_0days_170427_UKy_GCH_rep2-polar-NMR_A
Glu-4_1	2.345620415808082	18.09557368467721	0.32	15.78495420259277	03_A2_Liver_naive_0days_170427_UKy_GCH_rep3-polar-NMR_A
Glu-4_1	2.337300578672125	24.06916747164904	0.3601452395359969	23.74355577277059	04_B0_Liver_syngenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
Glu-4_1	2.334339435281459	24.55153892934813	0.4037275652082967	16.97505794114888	05_B1_Liver_syngenic_42days_170427_UKy_GCH_rep2-polar-NMR_A
Glu-4_1	2.338444242635	32.12306516377103	0.6927124324061406	17.68250219267807	06_B2_Liver_syngenic_42days_170427_UKy_GCH_rep3-polar-NMR_A
Glu-4_1	2.34049666440623	62.32094214966949	0.7076470603061856	24.58319079320987	07_C1-1_Liver_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
Glu-4_1	2.328504922679429	17.93847998198878	0.3882490334233681	14.89934502533709	08_C1-2_Liver_allogenic_42days_170427_UKy_GCH_rep2-polar-NMR_A
Glu-4_1	2.332770990406115	52.40778778302635	0.5873944172912011	24.90502383089229	09_C2-0_Liver_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
Glu-4_1	2.339811436694957	28.01489526153226	0.3291639485671403	23.75733316621497	10_B1-0_Liver_syngenic_7days_170427_UKy_GCH_rep1-polar-NMR_A
Glu-4_1	2.340351338598501	59.17561560639523	0.5540346827727706	26.92828375995445	11_B1-1_Liver_syngenic_7days_170427_UKy_GCH_rep2-polar-NMR_A
Glu-4_1	2.33784165984434	143.1318825729549	1.801702088527415	26.46801276217422	12_B1-2_Liver_syngenic_7days_170427_UKy_GCH_rep3-polar-NMR_A
Glu-4_1	2.337677287280455	54.14417418239918	0.699455427209286	26.67012161327609	13_C1-1_Liver_allogenic_7days_170427_UKy_GCH_rep1-polar-NMR_A
Glu-4_1	2.336690523477018	182.0999579248561	1.979055849727875	27.86778054772209	14_C1-2_Liver_allogenic_7days_170427_UKy_GCH_rep2-polar-NMR_A
Glu-4_1	2.336105697378124	212.3404545971955	2.725433265331565	23.64882271435611	15_C1-20_Liver_allogenic_7days_170427_UKy_GCH_rep3-polar-NMR_A
Glu-4_2	2.346776359692222	19.91148536739255	0.4368964410449674	14.09326338434846	08_C1-2_Liver_allogenic_42days_170427_UKy_GCH_rep2-polar-NMR_A
Glycogen_1	5.410694130131727	2145.205755730045	39.83157932805287	17.19455894208035	01_A0_Liver_naive_0days_170427_UKy_GCH_rep1-polar-NMR_A
Glycogen_1	5.410588254215093	5769.286934244445	112.5090648897511	16.65696950121398	02_A1_Liver_naive_0days_170427_UKy_GCH_rep2-polar-NMR_A
Glycogen_1	5.410530954198918	4971.465043346021	102.3893891953073	16.39632066713244	03_A2_Liver_naive_0days_170427_UKy_GCH_rep3-polar-NMR_A
Glycogen_1	5.410497794771713	4364.407745407372	87.55946731504224	16.74535864879218	04_B0_Liver_syngenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
Glycogen_1	5.410534299083056	6781.870786073052	131.1997132319402	16.30296127746359	05_B1_Liver_syngenic_42days_170427_UKy_GCH_rep2-polar-NMR_A
Glycogen_1	5.41067079665621	6648.213668975003	155.2678430646017	16.0327779834889	06_B2_Liver_syngenic_42days_170427_UKy_GCH_rep3-polar-NMR_A
Glycogen_1	5.41013685064477	1445.58103804054	27.73153555496973	15.82279903735742	07_C1-1_Liver_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
Glycogen_1	5.410753135218719	1638.195261997404	28.87373481072418	16.86055182458299	08_C1-2_Liver_allogenic_42days_170427_UKy_GCH_rep2-polar-NMR_A
Glycogen_1	5.411046972022547	2359.680304714038	42.1133610263636	16.66189610273682	09_C2-0_Liver_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
Glycogen_1	5.411088518585904	7338.217426511326	130.0632480865146	17.12579603631285	10_B1-0_Liver_syngenic_7days_170427_UKy_GCH_rep1-polar-NMR_A
Glycogen_1	5.410446511279802	5494.780186811755	121.3454174558264	15.81966929133599	11_B1-1_Liver_syngenic_7days_170427_UKy_GCH_rep2-polar-NMR_A
Glycogen_1	5.408046972022547	3012.128114482926	59.77825641616693	15.74150993858392	12_B1-2_Liver_syngenic_7days_170427_UKy_GCH_rep3-polar-NMR_A
Glycogen_1	5.410102448789965	912.3441559077007	17.50301008932908	15.78495420259277	13_C1-1_Liver_allogenic_7days_170427_UKy_GCH_rep1-polar-NMR_A
Glycogen_1	5.410050143559627	1077.609777759982	21.54289107745348	15.38459496215713	14_C1-2_Liver_allogenic_7days_170427_UKy_GCH_rep2-polar-NMR_A
Glycogen_1	5.410347464327704	1156.941782251121	21.06427110681713	16.31524077939206	15_C1-20_Liver_allogenic_7days_170427_UKy_GCH_rep3-polar-NMR_A
Lac-2_1	4.09903	63.42482	1.184743	20.41337	01_A0_Liver_naive_0days_170427_UKy_GCH_rep1-polar-NMR_A
Lac-2_1	4.0826	13.235745	0.781764	5.212723	02_A1_Liver_naive_0days_170427_UKy_GCH_rep2-polar-NMR_A
Lac-2_1	4.083	15.566152	0.824258	5.553858	03_A2_Liver_naive_0days_170427_UKy_GCH_rep3-polar-NMR_A
Lac-2_1	4.095	44.100106	1.296536	8.841022	04_B0_Liver_syngenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
Lac-2_1	4.08246	17.325316	0.815747	6.074204	05_B1_Liver_syngenic_42days_170427_UKy_GCH_rep2-polar-NMR_A
Lac-2_1	4.08299	25.857691	1.293945	5.874421	06_B2_Liver_syngenic_42days_170427_UKy_GCH_rep3-polar-NMR_A
Lac-2_1	4.09492	50.023227	2.024454	6.976264	07_C1-1_Liver_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
Lac-2_1	4.083	17.196003	0.785032	6.291024	08_C1-2_Liver_allogenic_42days_170427_UKy_GCH_rep2-polar-NMR_A
Lac-2_1	4.083	13.669448	0.696874	5.785466	09_C2-0_Liver_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
Lac-2_1	4.0823	17.225334	0.763742	6.469002	10_B1-0_Liver_syngenic_7days_170427_UKy_GCH_rep1-polar-NMR_A
Lac-2_1	4.08256	19.876189	0.881556	6.402398	11_B1-1_Liver_syngenic_7days_170427_UKy_GCH_rep2-polar-NMR_A
Lac-2_1	4.09323	18.332318	0.773527	6.692759	12_B1-2_Liver_syngenic_7days_170427_UKy_GCH_rep3-polar-NMR_A
Lac-2_1	4.08237	24.972871	0.965065	7.113907	13_C1-1_Liver_allogenic_7days_170427_UKy_GCH_rep1-polar-NMR_A
Lac-2_1	4.0823	24.339144	1.068178	6.58167	14_C1-2_Liver_allogenic_7days_170427_UKy_GCH_rep2-polar-NMR_A
Lac-2_1	4.08248	29.222117	1.299089	6.549863	15_C1-20_Liver_allogenic_7days_170427_UKy_GCH_rep3-polar-NMR_A
Lac-2_2	4.09584	125.740249	3.89058	8.433754	02_A1_Liver_naive_0days_170427_UKy_GCH_rep2-polar-NMR_A
Lac-2_2	4.09577	126.447437	3.979184	8.368019	03_A2_Liver_naive_0days_170427_UKy_GCH_rep3-polar-NMR_A
Lac-2_2	4.10636	44.100106	1.296536	8.841022	04_B0_Liver_syngenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
Lac-2_2	4.09545	93.184228	3.255222	7.584225	05_B1_Liver_syngenic_42days_170427_UKy_GCH_rep2-polar-NMR_A
Lac-2_2	4.09558	154.223179	5.31038	7.868516	06_B2_Liver_syngenic_42days_170427_UKy_GCH_rep3-polar-NMR_A
Lac-2_2	4.10771	66.661542	2.145372	8.232317	07_C1-1_Liver_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
Lac-2_2	4.09603	92.228012	2.900709	8.410038	08_C1-2_Liver_allogenic_42days_170427_UKy_GCH_rep2-polar-NMR_A
Lac-2_2	4.09566	68.552781	2.486009	7.559571	09_C2-0_Liver_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
Lac-2_2	4.09555	70.492839	2.564138	7.541309	10_B1-0_Liver_syngenic_7days_170427_UKy_GCH_rep1-polar-NMR_A
Lac-2_2	4.09551	91.625781	3.211537	7.72748	11_B1-1_Liver_syngenic_7days_170427_UKy_GCH_rep2-polar-NMR_A
Lac-2_2	4.10584	22.84935	0.872633	7.143965	12_B1-2_Liver_syngenic_7days_170427_UKy_GCH_rep3-polar-NMR_A
Lac-2_2	4.09499	90.779043	2.968865	8.191305	13_C1-1_Liver_allogenic_7days_170427_UKy_GCH_rep1-polar-NMR_A
Lac-2_2	4.09501	115.725136	3.845783	8.180506	14_C1-2_Liver_allogenic_7days_170427_UKy_GCH_rep2-polar-NMR_A
Lac-2_2	4.0953	145.70772	4.699647	8.331889	15_C1-20_Liver_allogenic_7days_170427_UKy_GCH_rep3-polar-NMR_A
Lac-2_3	4.10856	58.893301	2.876403	6.012375	02_A1_Liver_naive_0days_170427_UKy_GCH_rep2-polar-NMR_A
Lac-2_3	4.10862	93.532592	3.547141	7.37459	03_A2_Liver_naive_0days_170427_UKy_GCH_rep3-polar-NMR_A
Lac-2_3	4.10812	81.309109	3.147649	7.215697	05_B1_Liver_syngenic_42days_170427_UKy_GCH_rep2-polar-NMR_A
Lac-2_3	4.1082	120.171894	4.881517	7.045205	06_B2_Liver_syngenic_42days_170427_UKy_GCH_rep3-polar-NMR_A
Lac-2_3	4.10879	75.288742	2.725817	7.677303	08_C1-2_Liver_allogenic_42days_170427_UKy_GCH_rep2-polar-NMR_A
Lac-2_3	4.10858	79.194376	2.464045	8.248745	09_C2-0_Liver_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
Lac-2_3	4.10813	58.512941	2.372386	6.946105	10_B1-0_Liver_syngenic_7days_170427_UKy_GCH_rep1-polar-NMR_A
Lac-2_3	4.10818	83.535828	3.129444	7.451205	11_B1-1_Liver_syngenic_7days_170427_UKy_GCH_rep2-polar-NMR_A
Lac-2_3	4.10792	103.34098	3.183504	8.756935	13_C1-1_Liver_allogenic_7days_170427_UKy_GCH_rep1-polar-NMR_A
Lac-2_3	4.10786	119.733929	3.866645	8.403319	14_C1-2_Liver_allogenic_7days_170427_UKy_GCH_rep2-polar-NMR_A
Lac-2_3	4.10803	152.551594	4.835558	8.528421	15_C1-20_Liver_allogenic_7days_170427_UKy_GCH_rep3-polar-NMR_A
Lac-2_4	4.1214	13.235745	0.781764	5.212723	02_A1_Liver_naive_0days_170427_UKy_GCH_rep2-polar-NMR_A
Lac-2_4	4.1224	15.566152	0.824258	5.553858	03_A2_Liver_naive_0days_170427_UKy_GCH_rep3-polar-NMR_A
Lac-2_4	4.1224	17.325316	0.815747	6.074204	05_B1_Liver_syngenic_42days_170427_UKy_GCH_rep2-polar-NMR_A
Lac-2_4	4.11996	10.295695	0.730571	4.156567	06_B2_Liver_syngenic_42days_170427_UKy_GCH_rep3-polar-NMR_A
Lac-2_4	4.12041	9.755607	0.539966	5.387186	08_C1-2_Liver_allogenic_42days_170427_UKy_GCH_rep2-polar-NMR_A
Lac-2_4	4.1224	13.669448	0.696874	5.785466	09_C2-0_Liver_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
Lac-2_4	4.1224	17.225334	0.763742	6.469002	10_B1-0_Liver_syngenic_7days_170427_UKy_GCH_rep1-polar-NMR_A
Lac-2_4	4.1224	19.876189	0.881556	6.402398	11_B1-1_Liver_syngenic_7days_170427_UKy_GCH_rep2-polar-NMR_A
Lac-2_4	4.12072	14.179914	0.733801	6.109669	13_C1-1_Liver_allogenic_7days_170427_UKy_GCH_rep1-polar-NMR_A
Lac-2_4	4.1207	18.045476	0.994914	5.960206	14_C1-2_Liver_allogenic_7days_170427_UKy_GCH_rep2-polar-NMR_A
Lac-2_4	4.12076	19.634825	1.083143	6.029493	15_C1-20_Liver_allogenic_7days_170427_UKy_GCH_rep3-polar-NMR_A
Lac-3_1	1.311939451269216	479.9487964908758	16.58441391034471	8.432133655231182	01_A0_Liver_naive_0days_170427_UKy_GCH_rep1-polar-NMR_A
Lac-3_1	1.312448032291265	1295.248595763442	47.66462531785455	8.001103050702758	02_A1_Liver_naive_0days_170427_UKy_GCH_rep2-polar-NMR_A
Lac-3_1	1.312683239926718	1371.589931975431	47.81916817045809	8.454991824833074	03_A2_Liver_naive_0days_170427_UKy_GCH_rep3-polar-NMR_A
Lac-3_1	1.311646086002708	498.3855823302591	18.22294821288724	7.82767505828477	04_B0_Liver_syngenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
Lac-3_1	1.312363963087236	1065.481373475441	41.61796538490535	7.708665264072117	05_B1_Liver_syngenic_42days_170427_UKy_GCH_rep2-polar-NMR_A
Lac-3_1	1.312507366753906	1898.586830095764	66.49313613586204	8.450467683282596	06_B2_Liver_syngenic_42days_170427_UKy_GCH_rep3-polar-NMR_A
Lac-3_1	1.312080121991998	695.3361521545962	25.17310861156999	8.270580755030892	07_C1-1_Liver_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
Lac-3_1	1.31253169998397	779.9972085898014	29.98330518905857	7.852609825758953	08_C1-2_Liver_allogenic_42days_170427_UKy_GCH_rep2-polar-NMR_A
Lac-3_1	1.312583392168375	784.6325662520893	29.61717895645477	7.846754741302823	09_C2-0_Liver_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
Lac-3_1	1.312082999442307	769.5077461693244	31.33349225601432	7.243454694499634	10_B1-0_Liver_syngenic_7days_170427_UKy_GCH_rep1-polar-NMR_A
Lac-3_1	1.312029114885862	995.2783420469582	38.29081608586969	7.578264291499583	11_B1-1_Liver_syngenic_7days_170427_UKy_GCH_rep2-polar-NMR_A
Lac-3_1	1.310520972801741	465.5489773906096	14.37712204904374	9.095571269399704	12_B1-2_Liver_syngenic_7days_170427_UKy_GCH_rep3-polar-NMR_A
Lac-3_1	1.311853967310565	861.6428261472244	32.44828235684624	7.798182562873307	13_C1-1_Liver_allogenic_7days_170427_UKy_GCH_rep1-polar-NMR_A
Lac-3_1	1.31175297537982	1081.787029421139	42.51198821300193	7.700575122199126	14_C1-2_Liver_allogenic_7days_170427_UKy_GCH_rep2-polar-NMR_A
Lac-3_1	1.311918930119073	1360.732089694351	51.55049728638659	7.702722430330134	15_C1-20_Liver_allogenic_7days_170427_UKy_GCH_rep3-polar-NMR_A
Lac-3_2	1.323863689422393	366.2194588947168	14.43689825117488	7.579703760162611	01_A0_Liver_naive_0days_170427_UKy_GCH_rep1-polar-NMR_A
Lac-3_2	1.324557402968454	912.3495408340001	40.33869701746303	7.074292886753722	02_A1_Liver_naive_0days_170427_UKy_GCH_rep2-polar-NMR_A
Lac-3_2	1.32463450695083	788.9147567381235	37.40478135734062	6.834905948177751	03_A2_Liver_naive_0days_170427_UKy_GCH_rep3-polar-NMR_A
Lac-3_2	1.323600054485518	420.0116052583446	16.63828019029102	7.445509303265685	04_B0_Liver_syngenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
Lac-3_2	1.324403688070518	875.2703034271399	37.75527993173704	7.248053327840798	05_B1_Liver_syngenic_42days_170427_UKy_GCH_rep2-polar-NMR_A
Lac-3_2	1.324570509238069	1111.842448058631	53.33930398614036	6.819077422338317	06_B2_Liver_syngenic_42days_170427_UKy_GCH_rep3-polar-NMR_A
Lac-3_2	1.323961161874853	512.464965389397	21.54060529996481	7.096875037338595	07_C1-1_Liver_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
Lac-3_2	1.324523027135217	685.4201777947992	27.64635850742176	7.359069119807137	08_C1-2_Liver_allogenic_42days_170427_UKy_GCH_rep2-polar-NMR_A
Lac-3_2	1.324571759561532	653.8129985954293	26.71145538467534	7.42969159516523	09_C2-0_Liver_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
Lac-3_2	1.324139012830261	742.4748098614713	30.01388665065551	7.439342477800617	10_B1-0_Liver_syngenic_7days_170427_UKy_GCH_rep1-polar-NMR_A
Lac-3_2	1.324203589571813	927.6592699721488	36.44225936112001	7.6538314018383	11_B1-1_Liver_syngenic_7days_170427_UKy_GCH_rep2-polar-NMR_A
Lac-3_2	1.322612419790023	252.6505828435971	10.9997596476049	7.049444174134352	12_B1-2_Liver_syngenic_7days_170427_UKy_GCH_rep3-polar-NMR_A
Lac-3_2	1.323737069036881	727.4497234945566	29.47134469282385	7.345132436110508	13_C1-1_Liver_allogenic_7days_170427_UKy_GCH_rep1-polar-NMR_A
Lac-3_2	1.32368006916133	955.0462010160758	38.615359784304	7.380867576156015	14_C1-2_Liver_allogenic_7days_170427_UKy_GCH_rep2-polar-NMR_A
Lac-3_2	1.323861567172815	1208.938368896956	47.41211568573502	7.520667349946159	15_C1-20_Liver_allogenic_7days_170427_UKy_GCH_rep3-polar-NMR_A
NAD+-A1'_1	6.014850610678723	92.59938804663624	1.482521170329178	17.90094838658302	01_A0_Liver_naive_0days_170427_UKy_GCH_rep1-polar-NMR_A
NAD+-A1'_1	6.013971676586769	213.9351807407258	3.782112707204571	16.81875684931621	02_A1_Liver_naive_0days_170427_UKy_GCH_rep2-polar-NMR_A
NAD+-A1'_1	6.013815153815995	194.4978542339288	3.49644950421067	16.40699733720194	03_A2_Liver_naive_0days_170427_UKy_GCH_rep3-polar-NMR_A
NAD+-A1'_1	6.014444629503973	184.2680821908106	3.064949139846583	17.33173914924615	04_B0_Liver_syngenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
NAD+-A1'_1	6.013896003811528	243.9566787109228	4.408680580924242	16.32095741208566	05_B1_Liver_syngenic_42days_170427_UKy_GCH_rep2-polar-NMR_A
NAD+-A1'_1	6.014180634032819	295.4716915459066	5.06910938781145	16.81597822042529	06_B2_Liver_syngenic_42days_170427_UKy_GCH_rep3-polar-NMR_A
NAD+-A1'_1	6.013536940235495	50.54536495047611	0.8758620311710188	17.51702799508436	07_C1-1_Liver_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
NAD+-A1'_1	6.013440248647941	73.0362263924186	1.115660522259444	18.27373020843115	08_C1-2_Liver_allogenic_42days_170427_UKy_GCH_rep2-polar-NMR_A
NAD+-A1'_1	6.013007990986352	90.47187780200451	1.414069746372979	18.3211104181778	09_C2-0_Liver_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
NAD+-A1'_1	6.014802650196135	240.0622133135294	4.259236704391802	16.69592273251666	10_B1-0_Liver_syngenic_7days_170427_UKy_GCH_rep1-polar-NMR_A
NAD+-A1'_1	6.014076716498819	232.771055720871	4.1202227474477	16.66189610273682	11_B1-1_Liver_syngenic_7days_170427_UKy_GCH_rep2-polar-NMR_A
NAD+-A1'_1	6.011902368251399	121.6269684743444	1.898682587954844	17.88127419982394	12_B1-2_Liver_syngenic_7days_170427_UKy_GCH_rep3-polar-NMR_A
NAD+-A1'_1	6.011709188846211	53.26962541507655	0.8325735099772863	17.84691805394407	13_C1-1_Liver_allogenic_7days_170427_UKy_GCH_rep1-polar-NMR_A
NAD+-A1'_1	6.01292	68.533376	1.22512	15.615082	14_C1-2_Liver_allogenic_7days_170427_UKy_GCH_rep2-polar-NMR_A
NAD+-A1'_1	6.01202	73.246362	1.29738	18.205844	15_C1-20_Liver_allogenic_7days_170427_UKy_GCH_rep3-polar-NMR_A
NAD+-N1'_1	6.06565	32.690652	0.438714	20.8	01_A0_Liver_naive_0days_170427_UKy_GCH_rep1-polar-NMR_A
NAD+-N1'_1	6.06967505723387	85.1146770770306	1.180347250819976	19.94673376145901	02_A1_Liver_naive_0days_170427_UKy_GCH_rep2-polar-NMR_A
NAD+-N1'_1	6.068033541213644	83.02892054399624	1.052689859970334	22.17932345050834	03_A2_Liver_naive_0days_170427_UKy_GCH_rep3-polar-NMR_A
NAD+-N1'_1	6.070064576165578	68.74572316326211	0.8078230923822426	23.13484842794502	04_B0_Liver_syngenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
NAD+-N1'_1	6.067520562895833	106.6212474711089	1.304319852920802	22.83436106358577	05_B1_Liver_syngenic_42days_170427_UKy_GCH_rep2-polar-NMR_A
NAD+-N1'_1	6.068209645932942	102.0475966951921	1.139258982196721	24.35104241820475	06_B2_Liver_syngenic_42days_170427_UKy_GCH_rep3-polar-NMR_A
NAD+-N1'_1	6.06862	26.387473	0.469148	15.700328	07_C1-1_Liver_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
NAD+-N1'_1	6.071421148752204	30.0224590185877	0.5081046318930804	16.31872085278793	08_C1-2_Liver_allogenic_42days_170427_UKy_GCH_rep2-polar-NMR_A
NAD+-N1'_1	6.069199521607684	31.40910337616101	0.576938242069831	16.05712416893794	09_C2-0_Liver_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
NAD+-N1'_1	6.071822118721985	98.64261845794246	0.9362447888361021	29.41007466136389	10_B1-0_Liver_syngenic_7days_170427_UKy_GCH_rep1-polar-NMR_A
NAD+-N1'_1	6.070020377229661	87.62855548934121	1.355180692081146	18.33453033001135	11_B1-1_Liver_syngenic_7days_170427_UKy_GCH_rep2-polar-NMR_A
NAD+-N1'_1	6.06342	35.668903	0.562797	20.437608	12_B1-2_Liver_syngenic_7days_170427_UKy_GCH_rep3-polar-NMR_A
NAD+-N1'_1	6.067269733777679	25.93818449864034	0.4801966155421151	15.21327960513583	13_C1-1_Liver_allogenic_7days_170427_UKy_GCH_rep1-polar-NMR_A
NAD+-N1'_1	6.069692466293096	36.2286018908684	0.6821648857840185	15.40045500526484	14_C1-2_Liver_allogenic_7days_170427_UKy_GCH_rep2-polar-NMR_A
NAD+-N1'_1	6.068533655146163	62.90719391260549	0.8330193912785061	21.51801061204153	15_C1-20_Liver_allogenic_7days_170427_UKy_GCH_rep3-polar-NMR_A
Succinate-2,3_1	2.395869986209732	31.33764445308674	1.17778542574257	7.965934150778171	01_A0_Liver_naive_0days_170427_UKy_GCH_rep1-polar-NMR_A
Succinate-2,3_1	2.396322732800284	101.4678164349576	4.190607801155984	7.349640301978393	02_A1_Liver_naive_0days_170427_UKy_GCH_rep2-polar-NMR_A
Succinate-2,3_1	2.396235054709604	91.10054657628723	3.770113537260706	7.334682867388748	03_A2_Liver_naive_0days_170427_UKy_GCH_rep3-polar-NMR_A
Succinate-2,3_1	2.395845143959153	43.22848736095512	1.896950462186712	6.983193556148234	04_B0_Liver_syngenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
Succinate-2,3_1	2.396467717340623	84.71685406949021	3.791158291115847	7.202582124524581	05_B1_Liver_syngenic_42days_170427_UKy_GCH_rep2-polar-NMR_A
Succinate-2,3_1	2.396156349688654	155.0992336451454	6.515397924306594	7.366945158905662	06_B2_Liver_syngenic_42days_170427_UKy_GCH_rep3-polar-NMR_A
Succinate-2,3_1	2.395778699540563	65.53766192041822	2.842150149045733	7.209427966187185	07_C1-1_Liver_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
Succinate-2,3_1	2.396483190906894	74.93064587402968	3.222164012675387	7.058730819363545	08_C1-2_Liver_allogenic_42days_170427_UKy_GCH_rep2-polar-NMR_A
Succinate-2,3_1	2.396448362507664	71.67233578135283	3.057836227555424	7.114626800902086	09_C2-0_Liver_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
Succinate-2,3_1	2.396378049511801	80.73869382402344	3.325608414156287	7.319578921506643	10_B1-0_Liver_syngenic_7days_170427_UKy_GCH_rep1-polar-NMR_A
Succinate-2,3_1	2.396497903708641	88.35574691068575	3.815040902548957	7.114330808045054	11_B1-1_Liver_syngenic_7days_170427_UKy_GCH_rep2-polar-NMR_A
Succinate-2,3_1	2.394547195901574	51.96883143975621	2.284001929783902	7.303728063542954	12_B1-2_Liver_syngenic_7days_170427_UKy_GCH_rep3-polar-NMR_A
Succinate-2,3_1	2.395887409490383	77.28572133707614	3.254977431384078	7.316742522704074	13_C1-1_Liver_allogenic_7days_170427_UKy_GCH_rep1-polar-NMR_A
Succinate-2,3_1	2.395461996675307	129.3069187432351	5.456855194515636	7.179910457015081	14_C1-2_Liver_allogenic_7days_170427_UKy_GCH_rep2-polar-NMR_A
Succinate-2,3_1	2.395887409490383	160.4587332006676	6.878161401683623	7.366059438717957	15_C1-20_Liver_allogenic_7days_170427_UKy_GCH_rep3-polar-NMR_A
UXP-1'_1	5.982122576373731	25.65656426860098	0.5948734882819147	12.20530868539395	07_C1-1_Liver_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
aGlc_1	5.221495123608154	822.5315863712638	25.10511949031582	10.39879413149572	01_A0_Liver_naive_0days_170427_UKy_GCH_rep1-polar-NMR_A
aGlc_1	5.221861513003222	2154.768794574116	68.40213007245345	9.848904635048262	02_A1_Liver_naive_0days_170427_UKy_GCH_rep2-polar-NMR_A
aGlc_1	5.221774453639526	2221.557726899468	68.10730604635636	10.1144703103654	03_A2_Liver_naive_0days_170427_UKy_GCH_rep3-polar-NMR_A
aGlc_1	5.221540715241474	1389.677329638652	42.59306845853281	10.17040126208939	04_B0_Liver_syngenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
aGlc_1	5.221959282531313	2296.513565173388	74.42310728074537	9.705156386281518	05_B1_Liver_syngenic_42days_170427_UKy_GCH_rep2-polar-NMR_A
aGlc_1	5.221821672038375	2468.505280449304	80.12755197937175	9.631835724382979	06_B2_Liver_syngenic_42days_170427_UKy_GCH_rep3-polar-NMR_A
aGlc_1	5.22117958763886	736.3344674783677	23.48751479731703	10.10481530573842	07_C1-1_Liver_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
aGlc_1	5.221778392834481	946.4706015409072	30.80663934321935	10.02621148888741	08_C1-2_Liver_allogenic_42days_170427_UKy_GCH_rep2-polar-NMR_A
aGlc_1	5.221802300254422	1270.018322317422	39.72386601017225	10.13493513510792	09_C2-0_Liver_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
aGlc_1	5.22221095313038	2163.608224702509	68.94134050770181	9.985343922084668	10_B1-0_Liver_syngenic_7days_170427_UKy_GCH_rep1-polar-NMR_A
aGlc_1	5.221912802939308	2046.991922069519	66.54238311022678	9.180174228088182	11_B1-1_Liver_syngenic_7days_170427_UKy_GCH_rep2-polar-NMR_A
aGlc_1	5.219953708707155	1045.292581231776	32.74605928311609	9.975226659652447	12_B1-2_Liver_syngenic_7days_170427_UKy_GCH_rep3-polar-NMR_A
aGlc_1	5.221124138125553	560.6345867361296	17.93238775643534	9.97683917783702	13_C1-1_Liver_allogenic_7days_170427_UKy_GCH_rep1-polar-NMR_A
aGlc_1	5.221149484747148	625.3467016004034	20.27646034456536	9.94074738163696	14_C1-2_Liver_allogenic_7days_170427_UKy_GCH_rep2-polar-NMR_A
aGlc_1	5.221229351613564	806.2069937236246	26.41253554951987	9.948752219562675	15_C1-20_Liver_allogenic_7days_170427_UKy_GCH_rep3-polar-NMR_A
bGlc_1	4.627729135390789	371.9845742406798	12.68398340574822	8.282016028475258	01_A0_Liver_naive_0days_170427_UKy_GCH_rep1-polar-NMR_A
bGlc_1	4.628230132241942	916.2257281959306	33.18997512305104	7.786438425867043	02_A1_Liver_naive_0days_170427_UKy_GCH_rep2-polar-NMR_A
bGlc_1	4.628356263389025	1114.35007661397	37.73012977173001	8.244309679073533	03_A2_Liver_naive_0days_170427_UKy_GCH_rep3-polar-NMR_A
bGlc_1	4.627181334618419	321.4000161693971	13.84659068029963	6.798391073469153	04_B0_Liver_syngenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
bGlc_1	4.628384209569845	917.7623647611891	35.53814102325016	7.462567846756402	05_B1_Liver_syngenic_42days_170427_UKy_GCH_rep2-polar-NMR_A
bGlc_1	4.627860119856718	821.9069852490265	31.54230540638848	7.464555992980144	06_B2_Liver_syngenic_42days_170427_UKy_GCH_rep3-polar-NMR_A
bGlc_1	4.627900275176976	485.7907603238063	16.30855437727386	8.314856007073884	07_C1-1_Liver_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
bGlc_1	4.628770543691084	700.4100278013947	22.65314502052673	8.496929114733593	08_C1-2_Liver_allogenic_42days_170427_UKy_GCH_rep2-polar-NMR_A
bGlc_1	4.62868664801216	796.6440031675628	26.681862209361	8.337946185234422	09_C2-0_Liver_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
bGlc_1	4.628030451062698	683.0677039568014	28.01897209224649	7.12346504100452	10_B1-0_Liver_syngenic_7days_170427_UKy_GCH_rep1-polar-NMR_A
bGlc_1	4.628349660801867	814.1940875689094	31.5875718959954	7.500252075215996	11_B1-1_Liver_syngenic_7days_170427_UKy_GCH_rep2-polar-NMR_A
bGlc_1	4.62629834016788	537.5404614631865	18.16699987274005	8.275167595957097	12_B1-2_Liver_syngenic_7days_170427_UKy_GCH_rep3-polar-NMR_A
bGlc_1	4.62781298417161	391.5877848632986	12.83238868089298	8.466747102169643	13_C1-1_Liver_allogenic_7days_170427_UKy_GCH_rep1-polar-NMR_A
bGlc_1	4.627764911325642	471.9637095530669	14.74294747721545	8.76941900144043	14_C1-2_Liver_allogenic_7days_170427_UKy_GCH_rep2-polar-NMR_A
bGlc_1	4.62813767335856	658.190750978284	20.7516009192329	8.81399373926398	15_C1-20_Liver_allogenic_7days_170427_UKy_GCH_rep3-polar-NMR_A
bGlc_2	4.642666331200393	896.0582703162083	23.50617522110644	10.64082330951901	01_A0_Liver_naive_0days_170427_UKy_GCH_rep1-polar-NMR_A
bGlc_2	4.643114013922259	2564.234831538941	64.52462990405822	10.75388124613464	02_A1_Liver_naive_0days_170427_UKy_GCH_rep2-polar-NMR_A
bGlc_2	4.643103619192972	2387.85214585298	63.70327086438383	10.12773820442049	03_A2_Liver_naive_0days_170427_UKy_GCH_rep3-polar-NMR_A
bGlc_2	4.642265776954291	1758.41411550319	41.69891649294804	11.2496251583648	04_B0_Liver_syngenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
bGlc_2	4.643195688069752	2734.616590482118	71.7408912918507	10.39765574336935	05_B1_Liver_syngenic_42days_170427_UKy_GCH_rep2-polar-NMR_A
bGlc_2	4.642691342993216	2844.58648161485	75.72381585825119	10.22907130150604	06_B2_Liver_syngenic_42days_170427_UKy_GCH_rep3-polar-NMR_A
bGlc_2	4.642434180206206	755.000844125199	22.35703377973041	9.356998298383612	07_C1-1_Liver_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
bGlc_2	4.643334331136711	954.9937804720564	28.65224997742475	9.253813599279535	08_C1-2_Liver_allogenic_42days_170427_UKy_GCH_rep2-polar-NMR_A
bGlc_2	4.643243110357391	1305.823509765022	37.53048988553065	9.679245840143311	09_C2-0_Liver_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
bGlc_2	4.643162397727362	2731.120755278747	67.57044332969905	11.18875584317195	10_B1-0_Liver_syngenic_7days_170427_UKy_GCH_rep1-polar-NMR_A
bGlc_2	4.643242053188245	2395.137321639346	62.87752676942264	10.60603242460529	11_B1-1_Liver_syngenic_7days_170427_UKy_GCH_rep2-polar-NMR_A
bGlc_2	4.641165240007935	1095.044102234294	30.91698402644217	9.9499226444859	12_B1-2_Liver_syngenic_7days_170427_UKy_GCH_rep3-polar-NMR_A
bGlc_2	4.642341434182899	554.591546425479	16.53414541049772	9.282000908440777	13_C1-1_Liver_allogenic_7days_170427_UKy_GCH_rep1-polar-NMR_A
bGlc_2	4.642332686367924	605.8434566420915	18.49175478426263	9.09967151386077	14_C1-2_Liver_allogenic_7days_170427_UKy_GCH_rep2-polar-NMR_A
bGlc_2	4.642721269012571	800.5243816082346	24.76429806343043	9.023385038818938	15_C1-20_Liver_allogenic_7days_170427_UKy_GCH_rep3-polar-NMR_A
bGlc_3	4.657288785196855	96.27050216328486	4.647846139825496	6.676238007192898	01_A0_Liver_naive_0days_170427_UKy_GCH_rep1-polar-NMR_A
bGlc_3	4.658191966377186	221.7238537876088	12.12981233508306	6.220260400902871	02_A1_Liver_naive_0days_170427_UKy_GCH_rep2-polar-NMR_A
bGlc_3	4.658143872687829	177.9392102467728	10.25990704412796	5.958819825151435	03_A2_Liver_naive_0days_170427_UKy_GCH_rep3-polar-NMR_A
bGlc_3	4.656955669064515	272.3651840661926	12.38478634630154	6.960756743126154	04_B0_Liver_syngenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
bGlc_3	4.658055376240803	262.4449578595253	15.48931815326322	6.460790477719105	05_B1_Liver_syngenic_42days_170427_UKy_GCH_rep2-polar-NMR_A
bGlc_3	4.657468169632247	500.5473028842986	22.72746552683909	6.968135646925596	06_B2_Liver_syngenic_42days_170427_UKy_GCH_rep3-polar-NMR_A
bGlc_3	4.657725285423004	46.15788303605267	2.566201360811436	6.122575053224445	07_C1-1_Liver_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
bGlc_3	4.658733907889341	36.0523656104913	2.655324042159927	5.177212165192731	08_C1-2_Liver_allogenic_42days_170427_UKy_GCH_rep2-polar-NMR_A
bGlc_3	4.658526948360463	55.43683020525273	4.001454932610103	5.282751526418588	09_C2-0_Liver_allogenic_42days_170427_UKy_GCH_rep1-polar-NMR_A
bGlc_3	4.658055376240803	327.9424149376189	16.13995220310834	6.627184919855392	10_B1-0_Liver_syngenic_7days_170427_UKy_GCH_rep1-polar-NMR_A
bGlc_3	4.658055376240803	291.6259843893321	14.04860293894556	6.69088239395526	11_B1-1_Liver_syngenic_7days_170427_UKy_GCH_rep2-polar-NMR_A
bGlc_3	4.656088181873391	126.3061976435699	6.697354038474868	6.479678007540285	12_B1-2_Liver_syngenic_7days_170427_UKy_GCH_rep3-polar-NMR_A
bGlc_3	4.657728497381497	23.53090367462321	1.460783369980165	5.833731747697069	13_C1-1_Liver_allogenic_7days_170427_UKy_GCH_rep1-polar-NMR_A
bGlc_3	4.657601742360061	30.09885955756647	1.794665759188146	5.8802849954952	14_C1-2_Liver_allogenic_7days_170427_UKy_GCH_rep2-polar-NMR_A
EXTENDED_NMR_METABOLITE_DATA_END
#END