#METABOLOMICS WORKBENCH Lxu_20240814_072256 DATATRACK_ID:5105 STUDY_ID:ST003439 ANALYSIS_ID:AN005671 PROJECT_ID:PR002122 VERSION 1 CREATED_ON 10-30-2024 #PROJECT PR:PROJECT_TITLE Early Metabolic Shifts in the Sepsis: Insights from Presymptomatic Patients and PR:PROJECT_TITLE In Vivo Models. PR:PROJECT_TYPE MS quantitative analysis PR:PROJECT_SUMMARY Metabolomics of human serum to support understanding of early metabolic shift in PR:PROJECT_SUMMARY presymptomatic sepsis patients and further confirmed in in vivo model. PR:INSTITUTE Leibniz Institute for Natural Product Research and Infection Biology Hans Knöll PR:INSTITUTE Institute PR:DEPARTMENT Microbiome Dynamics PR:LAST_NAME XU PR:FIRST_NAME LINLIN PR:ADDRESS Beutenbergstraße 11a, Jena, Thuringia, 07745, Germany PR:EMAIL Lin-Lin.Xu@leibniz-hki.de PR:PHONE +4936415321265 PR:DOI http://dx.doi.org/10.21228/M8B52G #STUDY ST:STUDY_TITLE Metabolomics of human serum to support understanding of early metabolic shift in ST:STUDY_TITLE presymptomatic sepsis patients. (Part1 human metabolites) ST:STUDY_SUMMARY Sepsis, a life-threatening organ dysfunction caused by a dysregulated response ST:STUDY_SUMMARY to infection, is a critical medical condition with significant global impact, ST:STUDY_SUMMARY responsible for 48.9 million cases and 11 million deaths annually. Metabolic ST:STUDY_SUMMARY dysregulation in sepsis is a critical determinant of disease outcome, yet most ST:STUDY_SUMMARY studies focus on patients after severe illness onset, comparing septic versus ST:STUDY_SUMMARY non-septic groups or survivors versus non-survivors. To truly understand this ST:STUDY_SUMMARY complex disease, it is essential to investigate early metabolic shifts, ST:STUDY_SUMMARY capturing the transition from simple infection to sepsis. Our untargeted serum ST:STUDY_SUMMARY metabolome analysis of 152 presymptomatic patients undergoing major elective ST:STUDY_SUMMARY surgery revealed early metabolic signals in sepsis. ST:INSTITUTE Leibniz Institute for Natural Product Research and Infection Biology Hans Knöll ST:INSTITUTE Institute ST:DEPARTMENT Microbiome Dynamics ST:LAST_NAME Xu ST:FIRST_NAME Linlin ST:ADDRESS Beutenbergstraße 11a, Jena, Thuringia, 07745, Germany ST:EMAIL Lin-Lin.Xu@leibniz-hki.de ST:PHONE +4936415321265 ST:SUBMIT_DATE 2024-08-14 #SUBJECT SU:SUBJECT_TYPE Human SU:SUBJECT_SPECIES Homo sapiens SU:TAXONOMY_ID 9606 SU:AGE_OR_AGE_RANGE 63 (21, 80) SU:GENDER Male and female #SUBJECT_SAMPLE_FACTORS: SUBJECT(optional)[tab]SAMPLE[tab]FACTORS(NAME:VALUE pairs separated by |)[tab]Additional sample data SUBJECT_SAMPLE_FACTORS NA 200724_001-Blank Sample source:blank | Group:Blank | Timepoint:NA Batch=B1; RAW_FILE_NAME(Raw file name nagavitive ion)=200724-NEG-001-Blank.mzML; RAW_FILE_NAME(Raw file name positive ion)=200724-POS-001-Blank.mzML; RAW_FILE_NAME(Raw file name nagavitive ion repeat1)=NA; RAW_FILE_NAME(Raw file name nagavitive ion repeat2)=NA SUBJECT_SAMPLE_FACTORS NA 200724_002-Blank Sample source:blank | Group:Blank | Timepoint:NA Batch=B1; RAW_FILE_NAME(Raw file name nagavitive ion)=200724-NEG-002-Blank.mzML; RAW_FILE_NAME(Raw file name positive ion)=200724-POS-002-Blank.mzML; RAW_FILE_NAME(Raw file name nagavitive ion repeat1)=NA; RAW_FILE_NAME(Raw file name nagavitive ion repeat2)=NA SUBJECT_SAMPLE_FACTORS NA 200724_006-Blank Sample source:blank | Group:Blank | Timepoint:NA Batch=B1; RAW_FILE_NAME(Raw file name nagavitive ion)=200724-NEG-006-Blank.mzML; RAW_FILE_NAME(Raw file name positive ion)=200724-POS-006-Blank.mzML; RAW_FILE_NAME(Raw file name nagavitive ion repeat1)=NA; RAW_FILE_NAME(Raw file name nagavitive ion repeat2)=NA SUBJECT_SAMPLE_FACTORS NA 200724_210-Blank Sample source:blank | Group:Blank | Timepoint:NA Batch=B1; RAW_FILE_NAME(Raw file name nagavitive ion)=200724-NEG-210-Blank.mzML; RAW_FILE_NAME(Raw file name positive ion)=200724-POS-210-Blank.mzML; RAW_FILE_NAME(Raw file name nagavitive ion repeat1)=NA; RAW_FILE_NAME(Raw file name nagavitive ion repeat2)=NA SUBJECT_SAMPLE_FACTORS NA 200724_215-Blank Sample source:blank | Group:Blank | Timepoint:NA Batch=B1; RAW_FILE_NAME(Raw file name nagavitive ion)=200724-NEG-215-Blank.mzML; RAW_FILE_NAME(Raw file name positive ion)=200724-POS-215-Blank.mzML; RAW_FILE_NAME(Raw file name nagavitive ion repeat1)=NA; RAW_FILE_NAME(Raw file name nagavitive ion repeat2)=NA SUBJECT_SAMPLE_FACTORS NA 200730_217-Blank Sample source:blank | Group:Blank | Timepoint:NA Batch=B2; RAW_FILE_NAME(Raw file name nagavitive ion)=200730-NEG-217-Blank.mzML; RAW_FILE_NAME(Raw file name positive ion)=200730-POS-217-Blank.mzML; RAW_FILE_NAME(Raw file name nagavitive ion repeat1)=NA; RAW_FILE_NAME(Raw file name nagavitive ion repeat2)=NA SUBJECT_SAMPLE_FACTORS NA 200730_217-Blank_20200730112558 Sample source:blank | Group:Blank | Timepoint:NA Batch=B2; RAW_FILE_NAME(Raw file name nagavitive ion)=NA; RAW_FILE_NAME(Raw file name positive ion)=200730-POS-217-Blank_20200730112558.mzML; RAW_FILE_NAME(Raw file name nagavitive ion repeat1)=NA; RAW_FILE_NAME(Raw file name nagavitive ion repeat2)=NA SUBJECT_SAMPLE_FACTORS NA 200730_218-Blank Sample source:blank | Group:Blank | Timepoint:NA Batch=B2; RAW_FILE_NAME(Raw file name nagavitive ion)=200730-NEG-218-Blank.mzML; RAW_FILE_NAME(Raw file name positive ion)=200730-POS-218-Blank.mzML; RAW_FILE_NAME(Raw file name nagavitive ion repeat1)=NA; RAW_FILE_NAME(Raw file name nagavitive ion repeat2)=NA SUBJECT_SAMPLE_FACTORS NA 200730_222-Blank Sample source:blank | Group:Blank | Timepoint:NA Batch=B2; RAW_FILE_NAME(Raw file name nagavitive ion)=200730-NEG-222-Blank.mzML; RAW_FILE_NAME(Raw file name positive ion)=200730-POS-222-Blank.mzML; RAW_FILE_NAME(Raw file name nagavitive ion repeat1)=NA; RAW_FILE_NAME(Raw file name nagavitive ion repeat2)=NA SUBJECT_SAMPLE_FACTORS NA 200730_426-Blank Sample source:blank | Group:Blank | Timepoint:NA Batch=B2; RAW_FILE_NAME(Raw file name nagavitive ion)=200730-NEG-426-Blank.mzML; RAW_FILE_NAME(Raw file name positive ion)=200730-POS-426-Blank.mzML; RAW_FILE_NAME(Raw file name nagavitive ion repeat1)=NA; RAW_FILE_NAME(Raw file name nagavitive ion repeat2)=NA SUBJECT_SAMPLE_FACTORS NA 200730_431-Blank Sample source:blank | Group:Blank | Timepoint:NA Batch=B2; RAW_FILE_NAME(Raw file name nagavitive ion)=200730-NEG-431-Blank.mzML; RAW_FILE_NAME(Raw file name positive ion)=200730-POS-431-Blank.mzML; RAW_FILE_NAME(Raw file name nagavitive ion repeat1)=NA; RAW_FILE_NAME(Raw file name nagavitive ion repeat2)=NA SUBJECT_SAMPLE_FACTORS NA 200802_217-Blank Sample source:blank | Group:Blank | Timepoint:NA Batch=B2; RAW_FILE_NAME(Raw file name nagavitive ion)=200802-NEG-217-Blank.mzML; RAW_FILE_NAME(Raw file name positive ion)=NA; RAW_FILE_NAME(Raw file name nagavitive ion repeat1)=NA; RAW_FILE_NAME(Raw file name nagavitive ion repeat2)=NA SUBJECT_SAMPLE_FACTORS NA 200802_218-Blank Sample source:blank | Group:Blank | Timepoint:NA Batch=B2; RAW_FILE_NAME(Raw file name nagavitive ion)=200802-NEG-218-Blank.mzML; RAW_FILE_NAME(Raw file name positive ion)=NA; RAW_FILE_NAME(Raw file name nagavitive ion repeat1)=NA; RAW_FILE_NAME(Raw file name nagavitive ion repeat2)=NA SUBJECT_SAMPLE_FACTORS NA 200803_217-SystemBlank2 Sample source:blank | Group:Blank | Timepoint:NA Batch=B2; RAW_FILE_NAME(Raw file name nagavitive ion)=200803-NEG-217-SystemBlank2.mzML; RAW_FILE_NAME(Raw file name positive ion)=NA; RAW_FILE_NAME(Raw file name nagavitive ion repeat1)=NA; RAW_FILE_NAME(Raw file name nagavitive ion repeat2)=NA SUBJECT_SAMPLE_FACTORS NA 200803_218-SystemBlank2 Sample source:blank | Group:Blank | Timepoint:NA Batch=B2; RAW_FILE_NAME(Raw file name nagavitive ion)=200803-NEG-218-SystemBlank2.mzML; RAW_FILE_NAME(Raw file name positive ion)=NA; RAW_FILE_NAME(Raw file name nagavitive ion repeat1)=NA; RAW_FILE_NAME(Raw file name nagavitive ion repeat2)=NA SUBJECT_SAMPLE_FACTORS NA 200807_433-Blank Sample source:blank | Group:Blank | Timepoint:NA Batch=B3; RAW_FILE_NAME(Raw file name nagavitive ion)=200807-NEG-433-Blank.mzML; RAW_FILE_NAME(Raw file name positive ion)=200807-POS-433-Blank.mzML; RAW_FILE_NAME(Raw file name nagavitive ion repeat1)=NA; RAW_FILE_NAME(Raw file name nagavitive ion repeat2)=NA SUBJECT_SAMPLE_FACTORS NA 200807_434-Blank Sample source:blank | Group:Blank | Timepoint:NA Batch=B3; RAW_FILE_NAME(Raw file name nagavitive ion)=200807-NEG-434-Blank.mzML; RAW_FILE_NAME(Raw file name positive ion)=200807-POS-434-Blank.mzML; RAW_FILE_NAME(Raw file name nagavitive ion repeat1)=NA; RAW_FILE_NAME(Raw file name nagavitive ion repeat2)=NA SUBJECT_SAMPLE_FACTORS NA 200807_438-Blank Sample source:blank | Group:Blank | Timepoint:NA Batch=B3; RAW_FILE_NAME(Raw file name nagavitive ion)=200807-NEG-438-Blank.mzML; RAW_FILE_NAME(Raw file name positive ion)=200807-POS-438-Blank.mzML; RAW_FILE_NAME(Raw file name nagavitive ion repeat1)=NA; RAW_FILE_NAME(Raw file name nagavitive ion repeat2)=NA SUBJECT_SAMPLE_FACTORS NA 200807_585-Blank Sample source:blank | Group:Blank | Timepoint:NA Batch=B3; RAW_FILE_NAME(Raw file name nagavitive ion)=200807-NEG-585-Blank.mzML; RAW_FILE_NAME(Raw file name positive ion)=200807-POS-585-Blank.mzML; RAW_FILE_NAME(Raw file name nagavitive ion repeat1)=NA; RAW_FILE_NAME(Raw file name nagavitive ion repeat2)=NA SUBJECT_SAMPLE_FACTORS NA 200807_590-Blank Sample source:blank | Group:Blank | Timepoint:NA Batch=B3; RAW_FILE_NAME(Raw file name nagavitive ion)=200807-NEG-590-Blank.mzML; RAW_FILE_NAME(Raw file name positive ion)=200807-POS-590-Blank.mzML; RAW_FILE_NAME(Raw file name nagavitive ion repeat1)=NA; RAW_FILE_NAME(Raw file name nagavitive ion repeat2)=NA SUBJECT_SAMPLE_FACTORS C033 CS12948 Sample source:blood | Group:Control | Timepoint:-1 Batch=B1; RAW_FILE_NAME(Raw file name nagavitive ion)=200724-NEG-121-CS12948.mzML; RAW_FILE_NAME(Raw file name positive ion)=200724-POS-121-CS12948.mzML; RAW_FILE_NAME(Raw file name nagavitive ion repeat1)=NA; RAW_FILE_NAME(Raw file name nagavitive ion repeat2)=NA SUBJECT_SAMPLE_FACTORS C039 CS12951 Sample source:blood | Group:Control | Timepoint:-1 Batch=B3; RAW_FILE_NAME(Raw file name nagavitive ion)=200807-NEG-472-CS12951.mzML; RAW_FILE_NAME(Raw file name positive ion)=200807-POS-472-CS12951.mzML; RAW_FILE_NAME(Raw file name nagavitive ion repeat1)=NA; RAW_FILE_NAME(Raw file name nagavitive ion repeat2)=NA SUBJECT_SAMPLE_FACTORS C050 CS12954 Sample source:blood | Group:Control | Timepoint:-1 Batch=B1; RAW_FILE_NAME(Raw file name nagavitive ion)=200724-NEG-144-CS12954.mzML; RAW_FILE_NAME(Raw file name positive ion)=200724-POS-144-CS12954.mzML; RAW_FILE_NAME(Raw file name nagavitive ion repeat1)=NA; RAW_FILE_NAME(Raw file name nagavitive ion repeat2)=NA SUBJECT_SAMPLE_FACTORS C060 CS12957 Sample source:blood | Group:Control | Timepoint:-1 Batch=B3; RAW_FILE_NAME(Raw file name nagavitive ion)=200807-NEG-445-CS12957.mzML; RAW_FILE_NAME(Raw file name positive ion)=200807-POS-445-CS12957.mzML; RAW_FILE_NAME(Raw file name nagavitive ion repeat1)=NA; RAW_FILE_NAME(Raw file name nagavitive ion repeat2)=NA SUBJECT_SAMPLE_FACTORS C062 CS12981 Sample source:blood | Group:Control | Timepoint:-1 Batch=B2; RAW_FILE_NAME(Raw file name nagavitive ion)=200730-NEG-343-CS12981.mzML; RAW_FILE_NAME(Raw file name positive ion)=200730-POS-343-CS12981.mzML; RAW_FILE_NAME(Raw file name nagavitive ion repeat1)=NA; RAW_FILE_NAME(Raw file name nagavitive ion repeat2)=NA SUBJECT_SAMPLE_FACTORS C038 CS12989 Sample source:blood | Group:Control | Timepoint:-1 Batch=B2; RAW_FILE_NAME(Raw file name nagavitive ion)=200730-NEG-323-CS12989.mzML; RAW_FILE_NAME(Raw file name positive ion)=200730-POS-323-CS12989.mzML; RAW_FILE_NAME(Raw file name nagavitive ion repeat1)=NA; RAW_FILE_NAME(Raw file name nagavitive ion repeat2)=NA SUBJECT_SAMPLE_FACTORS C195 CS13001 Sample source:blood | Group:Control | Timepoint:-1 Batch=B1; RAW_FILE_NAME(Raw file name nagavitive ion)=200724-NEG-060-CS13001.mzML; RAW_FILE_NAME(Raw file name positive ion)=200724-POS-060-CS13001.mzML; RAW_FILE_NAME(Raw file name nagavitive ion repeat1)=NA; RAW_FILE_NAME(Raw file name nagavitive ion repeat2)=NA SUBJECT_SAMPLE_FACTORS C207 CS13004 Sample source:blood | Group:Control | Timepoint:-1 Batch=B2; RAW_FILE_NAME(Raw file name nagavitive ion)=200730-NEG-416-CS13004.mzML; RAW_FILE_NAME(Raw file name positive ion)=200730-POS-416-CS13004.mzML; RAW_FILE_NAME(Raw file name nagavitive ion repeat1)=NA; RAW_FILE_NAME(Raw file name nagavitive ion repeat2)=NA SUBJECT_SAMPLE_FACTORS C193 CS13007 Sample source:blood | Group:Control | Timepoint:-1 Batch=B2; RAW_FILE_NAME(Raw file name nagavitive ion)=200730-NEG-315-CS13007.mzML; RAW_FILE_NAME(Raw file name positive ion)=200730-POS-315-CS13007.mzML; RAW_FILE_NAME(Raw file name nagavitive ion repeat1)=NA; RAW_FILE_NAME(Raw file name nagavitive ion repeat2)=NA SUBJECT_SAMPLE_FACTORS C214 CS13010 Sample source:blood | Group:Control | Timepoint:-1 Batch=B2; RAW_FILE_NAME(Raw file name nagavitive ion)=200730-NEG-413-CS13010.mzML; RAW_FILE_NAME(Raw file name positive ion)=200730-POS-413-CS13010.mzML; RAW_FILE_NAME(Raw file name nagavitive ion repeat1)=NA; RAW_FILE_NAME(Raw file name nagavitive ion repeat2)=NA SUBJECT_SAMPLE_FACTORS C215 CS13013 Sample source:blood | Group:Control | Timepoint:-1 Batch=B1; RAW_FILE_NAME(Raw file name nagavitive ion)=200724-NEG-047-CS13013.mzML; RAW_FILE_NAME(Raw file name positive ion)=200724-POS-047-CS13013.mzML; RAW_FILE_NAME(Raw file name nagavitive ion repeat1)=NA; RAW_FILE_NAME(Raw file name nagavitive ion repeat2)=NA SUBJECT_SAMPLE_FACTORS C217 CS13016 Sample source:blood | Group:Control | Timepoint:-1 Batch=B1; RAW_FILE_NAME(Raw file name nagavitive ion)=200724-NEG-138-CS13016.mzML; RAW_FILE_NAME(Raw file name positive ion)=200724-POS-138-CS13016.mzML; RAW_FILE_NAME(Raw file name nagavitive ion repeat1)=NA; RAW_FILE_NAME(Raw file name nagavitive ion repeat2)=NA SUBJECT_SAMPLE_FACTORS C230 CS13019 Sample source:blood | Group:Control | Timepoint:-1 Batch=B3; RAW_FILE_NAME(Raw file name nagavitive ion)=200807-NEG-450-CS13019.mzML; RAW_FILE_NAME(Raw file name positive ion)=200807-POS-450-CS13019.mzML; RAW_FILE_NAME(Raw file name nagavitive ion repeat1)=NA; RAW_FILE_NAME(Raw file name nagavitive ion repeat2)=NA SUBJECT_SAMPLE_FACTORS C197 CS13089 Sample source:blood | Group:Control | Timepoint:-1 Batch=B2; RAW_FILE_NAME(Raw file name nagavitive ion)=200730-NEG-399-CS13089.mzML; RAW_FILE_NAME(Raw file name positive ion)=200730-POS-399-CS13089.mzML; RAW_FILE_NAME(Raw file name nagavitive ion repeat1)=NA; RAW_FILE_NAME(Raw file name nagavitive ion repeat2)=NA SUBJECT_SAMPLE_FACTORS C262 CS13092 Sample source:blood | Group:Control | Timepoint:-1 Batch=B2; RAW_FILE_NAME(Raw file name nagavitive ion)=200730-NEG-227-CS13092.mzML; RAW_FILE_NAME(Raw file name positive ion)=200730-POS-227-CS13092.mzML; RAW_FILE_NAME(Raw file name nagavitive ion repeat1)=NA; RAW_FILE_NAME(Raw file name nagavitive ion repeat2)=NA SUBJECT_SAMPLE_FACTORS C245 CS13095 Sample source:blood | Group:Control | Timepoint:-1 Batch=B3; RAW_FILE_NAME(Raw file name nagavitive ion)=200807-NEG-564-CS13095.mzML; RAW_FILE_NAME(Raw file name positive ion)=200807-POS-564-CS13095.mzML; RAW_FILE_NAME(Raw file name nagavitive ion repeat1)=NA; RAW_FILE_NAME(Raw file name nagavitive ion repeat2)=NA SUBJECT_SAMPLE_FACTORS C246 CS13098 Sample source:blood | Group:Control | Timepoint:-1 Batch=B2; RAW_FILE_NAME(Raw file name nagavitive ion)=200730-NEG-386-CS13098.mzML; RAW_FILE_NAME(Raw file name positive ion)=200730-POS-386-CS13098.mzML; RAW_FILE_NAME(Raw file name nagavitive ion repeat1)=NA; RAW_FILE_NAME(Raw file name nagavitive ion repeat2)=NA SUBJECT_SAMPLE_FACTORS C250 CS13101 Sample source:blood | Group:Control | Timepoint:-1 Batch=B2; RAW_FILE_NAME(Raw file name nagavitive ion)=200730-NEG-299-CS13101.mzML; RAW_FILE_NAME(Raw file name positive ion)=200730-POS-299-CS13101.mzML; RAW_FILE_NAME(Raw file name nagavitive ion repeat1)=NA; RAW_FILE_NAME(Raw file name nagavitive ion repeat2)=NA SUBJECT_SAMPLE_FACTORS C260 CS13104 Sample source:blood | Group:Control | Timepoint:-1 Batch=B1; RAW_FILE_NAME(Raw file name nagavitive ion)=200724-NEG-012-CS13104.mzML; RAW_FILE_NAME(Raw file name positive ion)=200724-POS-012-CS13104.mzML; RAW_FILE_NAME(Raw file name nagavitive ion repeat1)=NA; RAW_FILE_NAME(Raw file name nagavitive ion repeat2)=NA SUBJECT_SAMPLE_FACTORS C261 CS13107 Sample source:blood | Group:Control | Timepoint:-1 Batch=B1; RAW_FILE_NAME(Raw file name nagavitive ion)=200724-NEG-187-CS13107.mzML; RAW_FILE_NAME(Raw file name positive ion)=200724-POS-187-CS13107.mzML; RAW_FILE_NAME(Raw file name nagavitive ion repeat1)=NA; RAW_FILE_NAME(Raw file name nagavitive ion repeat2)=NA SUBJECT_SAMPLE_FACTORS C264 CS13110 Sample source:blood | Group:Control | Timepoint:-1 Batch=B1; RAW_FILE_NAME(Raw file name nagavitive ion)=200724-NEG-158-CS13110.mzML; RAW_FILE_NAME(Raw file name positive ion)=200724-POS-158-CS13110.mzML; RAW_FILE_NAME(Raw file name nagavitive ion repeat1)=NA; RAW_FILE_NAME(Raw file name nagavitive ion repeat2)=NA SUBJECT_SAMPLE_FACTORS C278 CS13113 Sample source:blood | Group:Control | Timepoint:-1 Batch=B3; RAW_FILE_NAME(Raw file name nagavitive ion)=200807-NEG-504-CS13113.mzML; RAW_FILE_NAME(Raw file name positive ion)=200807-POS-504-CS13113.mzML; RAW_FILE_NAME(Raw file name nagavitive ion repeat1)=NA; RAW_FILE_NAME(Raw file name nagavitive ion repeat2)=NA SUBJECT_SAMPLE_FACTORS C257 CS13116 Sample source:blood | Group:Control | Timepoint:-1 Batch=B2; RAW_FILE_NAME(Raw file name nagavitive ion)=200730-NEG-325-CS13116.mzML; RAW_FILE_NAME(Raw file name positive ion)=200730-POS-325-CS13116.mzML; RAW_FILE_NAME(Raw file name nagavitive ion repeat1)=NA; RAW_FILE_NAME(Raw file name nagavitive ion repeat2)=NA SUBJECT_SAMPLE_FACTORS C292 CS13149 Sample source:blood | Group:Control | Timepoint:-1 Batch=B2; RAW_FILE_NAME(Raw file name nagavitive ion)=200730-NEG-361-CS13149.mzML; RAW_FILE_NAME(Raw file name positive ion)=200730-POS-361-CS13149.mzML; RAW_FILE_NAME(Raw file name nagavitive ion repeat1)=NA; RAW_FILE_NAME(Raw file name nagavitive ion repeat2)=NA SUBJECT_SAMPLE_FACTORS C034 CS13164 Sample source:blood | Group:Control | Timepoint:-1 Batch=B3; RAW_FILE_NAME(Raw file name nagavitive ion)=200807-NEG-538-CS13164.mzML; RAW_FILE_NAME(Raw file name positive ion)=200807-POS-538-CS13164.mzML; RAW_FILE_NAME(Raw file name nagavitive ion repeat1)=NA; RAW_FILE_NAME(Raw file name nagavitive ion repeat2)=NA SUBJECT_SAMPLE_FACTORS C266 CS13179 Sample source:blood | Group:Control | Timepoint:-1 Batch=B2; RAW_FILE_NAME(Raw file name nagavitive ion)=200730-NEG-248-CS13179.mzML; RAW_FILE_NAME(Raw file name positive ion)=200730-POS-248-CS13179.mzML; RAW_FILE_NAME(Raw file name nagavitive ion repeat1)=NA; RAW_FILE_NAME(Raw file name nagavitive ion repeat2)=NA SUBJECT_SAMPLE_FACTORS C269 CS13182 Sample source:blood | Group:Control | Timepoint:-1 Batch=B2; RAW_FILE_NAME(Raw file name nagavitive ion)=200730-NEG-357-CS13182.mzML; RAW_FILE_NAME(Raw file name positive ion)=200730-POS-357-CS13182.mzML; RAW_FILE_NAME(Raw file name nagavitive ion repeat1)=NA; RAW_FILE_NAME(Raw file name nagavitive ion repeat2)=NA SUBJECT_SAMPLE_FACTORS C091 CS13194 Sample source:blood | Group:Control | Timepoint:-1 Batch=B1; RAW_FILE_NAME(Raw file name nagavitive ion)=200724-NEG-015-CS13194.mzML; RAW_FILE_NAME(Raw file name positive ion)=200724-POS-015-CS13194.mzML; RAW_FILE_NAME(Raw file name nagavitive ion repeat1)=NA; RAW_FILE_NAME(Raw file name nagavitive ion repeat2)=NA SUBJECT_SAMPLE_FACTORS C122 CS13215 Sample source:blood | Group:Control | Timepoint:-1 Batch=B2; RAW_FILE_NAME(Raw file name nagavitive ion)=200730-NEG-256-CS13215.mzML; RAW_FILE_NAME(Raw file name positive ion)=200730-POS-256-CS13215.mzML; RAW_FILE_NAME(Raw file name nagavitive ion repeat1)=NA; RAW_FILE_NAME(Raw file name nagavitive ion repeat2)=NA SUBJECT_SAMPLE_FACTORS C146 CS13218 Sample source:blood | Group:Control | Timepoint:-1 Batch=B3; RAW_FILE_NAME(Raw file name nagavitive ion)=200807-NEG-522-CS13218.mzML; RAW_FILE_NAME(Raw file name positive ion)=200807-POS-522-CS13218.mzML; RAW_FILE_NAME(Raw file name nagavitive ion repeat1)=NA; RAW_FILE_NAME(Raw file name nagavitive ion repeat2)=NA SUBJECT_SAMPLE_FACTORS C155 CS13221 Sample source:blood | Group:Control | Timepoint:-1 Batch=B1; RAW_FILE_NAME(Raw file name nagavitive ion)=200724-NEG-081-CS13221.mzML; RAW_FILE_NAME(Raw file name positive ion)=200724-POS-081-CS13221.mzML; RAW_FILE_NAME(Raw file name nagavitive ion repeat1)=NA; RAW_FILE_NAME(Raw file name nagavitive ion repeat2)=NA SUBJECT_SAMPLE_FACTORS C144 CS13239 Sample source:blood | Group:Control | Timepoint:-1 Batch=B1; RAW_FILE_NAME(Raw file name nagavitive ion)=200724-NEG-091-CS13239.mzML; RAW_FILE_NAME(Raw file name positive ion)=200724-POS-091-CS13239.mzML; RAW_FILE_NAME(Raw file name nagavitive ion repeat1)=NA; RAW_FILE_NAME(Raw file name nagavitive ion repeat2)=NA SUBJECT_SAMPLE_FACTORS C149 CS13254 Sample source:blood | Group:Control | Timepoint:-1 Batch=B1; RAW_FILE_NAME(Raw file name nagavitive ion)=200724-NEG-102-CS13254.mzML; RAW_FILE_NAME(Raw file name positive ion)=200724-POS-102-CS13254.mzML; RAW_FILE_NAME(Raw file name nagavitive ion repeat1)=NA; RAW_FILE_NAME(Raw file name nagavitive ion repeat2)=NA SUBJECT_SAMPLE_FACTORS C179 CS13257 Sample source:blood | Group:Control | Timepoint:-1 Batch=B3; RAW_FILE_NAME(Raw file name nagavitive ion)=200807-NEG-465-CS13257.mzML; RAW_FILE_NAME(Raw file name positive ion)=200807-POS-465-CS13257.mzML; RAW_FILE_NAME(Raw file name nagavitive ion repeat1)=NA; RAW_FILE_NAME(Raw file name nagavitive ion repeat2)=NA SUBJECT_SAMPLE_FACTORS C057 CS13317 Sample source:blood | Group:Control | Timepoint:-1 Batch=B1; RAW_FILE_NAME(Raw file name nagavitive ion)=200724-NEG-054-CS13317.mzML; RAW_FILE_NAME(Raw file name positive ion)=200724-POS-054-CS13317.mzML; RAW_FILE_NAME(Raw file name nagavitive ion repeat1)=NA; RAW_FILE_NAME(Raw file name nagavitive ion repeat2)=NA SUBJECT_SAMPLE_FACTORS C058 CS13320 Sample source:blood | Group:Control | Timepoint:-1 Batch=B1; RAW_FILE_NAME(Raw file name nagavitive ion)=200724-NEG-072-CS13320.mzML; RAW_FILE_NAME(Raw file name positive ion)=200724-POS-072-CS13320.mzML; RAW_FILE_NAME(Raw file name nagavitive ion repeat1)=NA; RAW_FILE_NAME(Raw file name nagavitive ion repeat2)=NA SUBJECT_SAMPLE_FACTORS C041 CS13335 Sample source:blood | Group:Control | Timepoint:-1 Batch=B2; RAW_FILE_NAME(Raw file name nagavitive ion)=200730-NEG-391-CS13335.mzML; RAW_FILE_NAME(Raw file name positive ion)=200730-POS-391-CS13335.mzML; RAW_FILE_NAME(Raw file name nagavitive ion repeat1)=NA; RAW_FILE_NAME(Raw file name nagavitive ion repeat2)=NA SUBJECT_SAMPLE_FACTORS C090 CS13338 Sample source:blood | Group:Control | Timepoint:-1 Batch=B2; RAW_FILE_NAME(Raw file name nagavitive ion)=200730-NEG-312-CS13338.mzML; RAW_FILE_NAME(Raw file name positive ion)=200730-POS-312-CS13338.mzML; RAW_FILE_NAME(Raw file name nagavitive ion repeat1)=NA; RAW_FILE_NAME(Raw file name nagavitive ion repeat2)=NA SUBJECT_SAMPLE_FACTORS C230 CS13018 Sample source:blood | Group:Control | Timepoint:-2 Batch=B3; RAW_FILE_NAME(Raw file name nagavitive ion)=200807-NEG-452-CS13018.mzML; RAW_FILE_NAME(Raw file name positive ion)=200807-POS-452-CS13018.mzML; RAW_FILE_NAME(Raw file name nagavitive ion repeat1)=NA; RAW_FILE_NAME(Raw file name nagavitive ion repeat2)=NA SUBJECT_SAMPLE_FACTORS C266 CS13178 Sample source:blood | Group:Control | Timepoint:-2 Batch=B2; RAW_FILE_NAME(Raw file name nagavitive ion)=200730-NEG-249-CS13178.mzML; RAW_FILE_NAME(Raw file name positive ion)=200730-POS-249-CS13178.mzML; RAW_FILE_NAME(Raw file name nagavitive ion repeat1)=NA; RAW_FILE_NAME(Raw file name nagavitive ion repeat2)=NA SUBJECT_SAMPLE_FACTORS C269 CS13181 Sample source:blood | Group:Control | Timepoint:-2 Batch=B2; RAW_FILE_NAME(Raw file name nagavitive ion)=200730-NEG-358-CS13181.mzML; RAW_FILE_NAME(Raw file name positive ion)=200730-POS-358-CS13181.mzML; RAW_FILE_NAME(Raw file name nagavitive ion repeat1)=NA; RAW_FILE_NAME(Raw file name nagavitive ion repeat2)=NA SUBJECT_SAMPLE_FACTORS C033 CS12947 Sample source:blood | Group:Control | Timepoint:-3 Batch=B1; RAW_FILE_NAME(Raw file name nagavitive ion)=200724-NEG-119-CS12947.mzML; RAW_FILE_NAME(Raw file name positive ion)=200724-POS-119-CS12947.mzML; RAW_FILE_NAME(Raw file name nagavitive ion repeat1)=NA; RAW_FILE_NAME(Raw file name nagavitive ion repeat2)=NA SUBJECT_SAMPLE_FACTORS C039 CS12950 Sample source:blood | Group:Control | Timepoint:-3 Batch=B3; RAW_FILE_NAME(Raw file name nagavitive ion)=200807-NEG-473-CS12950.mzML; RAW_FILE_NAME(Raw file name positive ion)=200807-POS-473-CS12950.mzML; RAW_FILE_NAME(Raw file name nagavitive ion repeat1)=NA; RAW_FILE_NAME(Raw file name nagavitive ion repeat2)=NA SUBJECT_SAMPLE_FACTORS C050 CS12953 Sample source:blood | Group:Control | Timepoint:-3 Batch=B1; RAW_FILE_NAME(Raw file name nagavitive ion)=200724-NEG-146-CS12953.mzML; RAW_FILE_NAME(Raw file name positive ion)=200724-POS-146-CS12953.mzML; RAW_FILE_NAME(Raw file name nagavitive ion repeat1)=NA; RAW_FILE_NAME(Raw file name nagavitive ion repeat2)=NA SUBJECT_SAMPLE_FACTORS C060 CS12956 Sample source:blood | Group:Control | Timepoint:-3 Batch=B3; RAW_FILE_NAME(Raw file name nagavitive ion)=200807-NEG-444-CS12956.mzML; RAW_FILE_NAME(Raw file name positive ion)=200807-POS-444-CS12956.mzML; RAW_FILE_NAME(Raw file name nagavitive ion repeat1)=NA; RAW_FILE_NAME(Raw file name nagavitive ion repeat2)=NA SUBJECT_SAMPLE_FACTORS C062 CS12980 Sample source:blood | Group:Control | Timepoint:-3 Batch=B2; RAW_FILE_NAME(Raw file name nagavitive ion)=200730-NEG-342-CS12980.mzML; RAW_FILE_NAME(Raw file name positive ion)=200730-POS-342-CS12980.mzML; RAW_FILE_NAME(Raw file name nagavitive ion repeat1)=NA; RAW_FILE_NAME(Raw file name nagavitive ion repeat2)=NA SUBJECT_SAMPLE_FACTORS C195 CS13000 Sample source:blood | Group:Control | Timepoint:-3 Batch=B1; RAW_FILE_NAME(Raw file name nagavitive ion)=200724-NEG-062-CS13000.mzML; RAW_FILE_NAME(Raw file name positive ion)=200724-POS-062-CS13000.mzML; RAW_FILE_NAME(Raw file name nagavitive ion repeat1)=NA; RAW_FILE_NAME(Raw file name nagavitive ion repeat2)=NA SUBJECT_SAMPLE_FACTORS C207 CS13003 Sample source:blood | Group:Control | Timepoint:-3 Batch=B2; RAW_FILE_NAME(Raw file name nagavitive ion)=200730-NEG-418-CS13003.mzML; RAW_FILE_NAME(Raw file name positive ion)=200730-POS-418-CS13003.mzML; RAW_FILE_NAME(Raw file name nagavitive ion repeat1)=NA; RAW_FILE_NAME(Raw file name nagavitive ion repeat2)=NA SUBJECT_SAMPLE_FACTORS C193 CS13006 Sample source:blood | Group:Control | Timepoint:-3 Batch=B2; RAW_FILE_NAME(Raw file name nagavitive ion)=200730-NEG-316-CS13006.mzML; RAW_FILE_NAME(Raw file name positive ion)=200730-POS-316-CS13006.mzML; RAW_FILE_NAME(Raw file name nagavitive ion repeat1)=NA; RAW_FILE_NAME(Raw file name nagavitive ion repeat2)=NA SUBJECT_SAMPLE_FACTORS C214 CS13009 Sample source:blood | Group:Control | Timepoint:-3 Batch=B2; RAW_FILE_NAME(Raw file name nagavitive ion)=200730-NEG-412-CS13009.mzML; RAW_FILE_NAME(Raw file name positive ion)=200730-POS-412-CS13009.mzML; RAW_FILE_NAME(Raw file name nagavitive ion repeat1)=NA; RAW_FILE_NAME(Raw file name nagavitive ion repeat2)=NA SUBJECT_SAMPLE_FACTORS C215 CS13012 Sample source:blood | Group:Control | Timepoint:-3 Batch=B1; RAW_FILE_NAME(Raw file name nagavitive ion)=200724-NEG-046-CS13012.mzML; RAW_FILE_NAME(Raw file name positive ion)=200724-POS-046-CS13012.mzML; RAW_FILE_NAME(Raw file name nagavitive ion repeat1)=NA; RAW_FILE_NAME(Raw file name nagavitive ion repeat2)=NA SUBJECT_SAMPLE_FACTORS C217 CS13015 Sample source:blood | Group:Control | Timepoint:-3 Batch=B1; RAW_FILE_NAME(Raw file name nagavitive ion)=200724-NEG-139-CS13015.mzML; RAW_FILE_NAME(Raw file name positive ion)=200724-POS-139-CS13015.mzML; RAW_FILE_NAME(Raw file name nagavitive ion repeat1)=NA; RAW_FILE_NAME(Raw file name nagavitive ion repeat2)=NA SUBJECT_SAMPLE_FACTORS C197 CS13088 Sample source:blood | Group:Control | Timepoint:-3 Batch=B2; RAW_FILE_NAME(Raw file name nagavitive ion)=200730-NEG-398-CS13088.mzML; RAW_FILE_NAME(Raw file name positive ion)=200730-POS-398-CS13088.mzML; RAW_FILE_NAME(Raw file name nagavitive ion repeat1)=NA; RAW_FILE_NAME(Raw file name nagavitive ion repeat2)=NA SUBJECT_SAMPLE_FACTORS C262 CS13091 Sample source:blood | Group:Control | Timepoint:-3 Batch=B2; RAW_FILE_NAME(Raw file name nagavitive ion)=200730-NEG-228-CS13091.mzML; RAW_FILE_NAME(Raw file name positive ion)=200730-POS-228-CS13091.mzML; RAW_FILE_NAME(Raw file name nagavitive ion repeat1)=NA; RAW_FILE_NAME(Raw file name nagavitive ion repeat2)=NA SUBJECT_SAMPLE_FACTORS C245 CS13094 Sample source:blood | Group:Control | Timepoint:-3 Batch=B3; RAW_FILE_NAME(Raw file name nagavitive ion)=200807-NEG-562-CS13094.mzML; RAW_FILE_NAME(Raw file name positive ion)=200807-POS-562-CS13094.mzML; RAW_FILE_NAME(Raw file name nagavitive ion repeat1)=NA; RAW_FILE_NAME(Raw file name nagavitive ion repeat2)=NA SUBJECT_SAMPLE_FACTORS C246 CS13097 Sample source:blood | Group:Control | Timepoint:-3 Batch=B2; RAW_FILE_NAME(Raw file name nagavitive ion)=200730-NEG-384-CS13097.mzML; RAW_FILE_NAME(Raw file name positive ion)=200730-POS-384-CS13097.mzML; RAW_FILE_NAME(Raw file name nagavitive ion repeat1)=NA; RAW_FILE_NAME(Raw file name nagavitive ion repeat2)=NA SUBJECT_SAMPLE_FACTORS C250 CS13100 Sample source:blood | Group:Control | Timepoint:-3 Batch=B2; RAW_FILE_NAME(Raw file name nagavitive ion)=200730-NEG-297-CS13100.mzML; RAW_FILE_NAME(Raw file name positive ion)=200730-POS-297-CS13100.mzML; RAW_FILE_NAME(Raw file name nagavitive ion repeat1)=NA; RAW_FILE_NAME(Raw file name nagavitive ion repeat2)=NA SUBJECT_SAMPLE_FACTORS C260 CS13103 Sample source:blood | Group:Control | Timepoint:-3 Batch=B1; RAW_FILE_NAME(Raw file name nagavitive ion)=200724-NEG-013-CS13103.mzML; RAW_FILE_NAME(Raw file name positive ion)=200724-POS-013-CS13103.mzML; RAW_FILE_NAME(Raw file name nagavitive ion repeat1)=NA; RAW_FILE_NAME(Raw file name nagavitive ion repeat2)=NA SUBJECT_SAMPLE_FACTORS C261 CS13106 Sample source:blood | Group:Control | Timepoint:-3 Batch=B1; RAW_FILE_NAME(Raw file name nagavitive ion)=200724-NEG-188-CS13106.mzML; RAW_FILE_NAME(Raw file name positive ion)=200724-POS-188-CS13106.mzML; RAW_FILE_NAME(Raw file name nagavitive ion repeat1)=NA; RAW_FILE_NAME(Raw file name nagavitive ion repeat2)=NA SUBJECT_SAMPLE_FACTORS C264 CS13109 Sample source:blood | Group:Control | Timepoint:-3 Batch=B1; RAW_FILE_NAME(Raw file name nagavitive ion)=200724-NEG-159-CS13109.mzML; RAW_FILE_NAME(Raw file name positive ion)=200724-POS-159-CS13109.mzML; RAW_FILE_NAME(Raw file name nagavitive ion repeat1)=NA; RAW_FILE_NAME(Raw file name nagavitive ion repeat2)=NA SUBJECT_SAMPLE_FACTORS C278 CS13112 Sample source:blood | Group:Control | Timepoint:-3 Batch=B3; RAW_FILE_NAME(Raw file name nagavitive ion)=200807-NEG-503-CS13112.mzML; RAW_FILE_NAME(Raw file name positive ion)=200807-POS-503-CS13112.mzML; RAW_FILE_NAME(Raw file name nagavitive ion repeat1)=NA; RAW_FILE_NAME(Raw file name nagavitive ion repeat2)=NA SUBJECT_SAMPLE_FACTORS C257 CS13115 Sample source:blood | Group:Control | Timepoint:-3 Batch=B2; RAW_FILE_NAME(Raw file name nagavitive ion)=200730-NEG-326-CS13115.mzML; RAW_FILE_NAME(Raw file name positive ion)=200730-POS-326-CS13115.mzML; RAW_FILE_NAME(Raw file name nagavitive ion repeat1)=NA; RAW_FILE_NAME(Raw file name nagavitive ion repeat2)=NA SUBJECT_SAMPLE_FACTORS C292 CS13148 Sample source:blood | Group:Control | Timepoint:-3 Batch=B2; RAW_FILE_NAME(Raw file name nagavitive ion)=200730-NEG-362-CS13148.mzML; RAW_FILE_NAME(Raw file name positive ion)=200730-POS-362-CS13148.mzML; RAW_FILE_NAME(Raw file name nagavitive ion repeat1)=NA; RAW_FILE_NAME(Raw file name nagavitive ion repeat2)=NA SUBJECT_SAMPLE_FACTORS C034 CS13163 Sample source:blood | Group:Control | Timepoint:-3 Batch=B3; RAW_FILE_NAME(Raw file name nagavitive ion)=200807-NEG-537-CS13163.mzML; RAW_FILE_NAME(Raw file name positive ion)=200807-POS-537-CS13163.mzML; RAW_FILE_NAME(Raw file name nagavitive ion repeat1)=NA; RAW_FILE_NAME(Raw file name nagavitive ion repeat2)=NA SUBJECT_SAMPLE_FACTORS C091 CS13193 Sample source:blood | Group:Control | Timepoint:-3 Batch=B1; RAW_FILE_NAME(Raw file name nagavitive ion)=200724-NEG-014-CS13193.mzML; RAW_FILE_NAME(Raw file name positive ion)=200724-POS-014-CS13193.mzML; RAW_FILE_NAME(Raw file name nagavitive ion repeat1)=NA; RAW_FILE_NAME(Raw file name nagavitive ion repeat2)=NA SUBJECT_SAMPLE_FACTORS C122 CS13214 Sample source:blood | Group:Control | Timepoint:-3 Batch=B2; RAW_FILE_NAME(Raw file name nagavitive ion)=200730-NEG-257-CS13214.mzML; RAW_FILE_NAME(Raw file name positive ion)=200730-POS-257-CS13214.mzML; RAW_FILE_NAME(Raw file name nagavitive ion repeat1)=NA; RAW_FILE_NAME(Raw file name nagavitive ion repeat2)=NA SUBJECT_SAMPLE_FACTORS C146 CS13217 Sample source:blood | Group:Control | Timepoint:-3 Batch=B3; RAW_FILE_NAME(Raw file name nagavitive ion)=200807-NEG-520-CS13217.mzML; RAW_FILE_NAME(Raw file name positive ion)=200807-POS-520-CS13217.mzML; RAW_FILE_NAME(Raw file name nagavitive ion repeat1)=NA; RAW_FILE_NAME(Raw file name nagavitive ion repeat2)=NA SUBJECT_SAMPLE_FACTORS C155 CS13220 Sample source:blood | Group:Control | Timepoint:-3 Batch=B1; RAW_FILE_NAME(Raw file name nagavitive ion)=200724-NEG-083-CS13220.mzML; RAW_FILE_NAME(Raw file name positive ion)=200724-POS-083-CS13220.mzML; RAW_FILE_NAME(Raw file name nagavitive ion repeat1)=NA; RAW_FILE_NAME(Raw file name nagavitive ion repeat2)=NA SUBJECT_SAMPLE_FACTORS C144 CS13238 Sample source:blood | Group:Control | Timepoint:-3 Batch=B1; RAW_FILE_NAME(Raw file name nagavitive ion)=200724-NEG-093-CS13238.mzML; RAW_FILE_NAME(Raw file name positive ion)=200724-POS-093-CS13238.mzML; RAW_FILE_NAME(Raw file name nagavitive ion repeat1)=NA; RAW_FILE_NAME(Raw file name nagavitive ion repeat2)=NA SUBJECT_SAMPLE_FACTORS C149 CS13253 Sample source:blood | Group:Control | Timepoint:-3 Batch=B1; RAW_FILE_NAME(Raw file name nagavitive ion)=200724-NEG-103-CS13253.mzML; RAW_FILE_NAME(Raw file name positive ion)=200724-POS-103-CS13253.mzML; RAW_FILE_NAME(Raw file name nagavitive ion repeat1)=NA; RAW_FILE_NAME(Raw file name nagavitive ion repeat2)=NA SUBJECT_SAMPLE_FACTORS C179 CS13256 Sample source:blood | Group:Control | Timepoint:-3 Batch=B3; RAW_FILE_NAME(Raw file name nagavitive ion)=200807-NEG-464-CS13256.mzML; RAW_FILE_NAME(Raw file name positive ion)=200807-POS-464-CS13256.mzML; RAW_FILE_NAME(Raw file name nagavitive ion repeat1)=NA; RAW_FILE_NAME(Raw file name nagavitive ion repeat2)=NA SUBJECT_SAMPLE_FACTORS C057 CS13316 Sample source:blood | Group:Control | Timepoint:-3 Batch=B1; RAW_FILE_NAME(Raw file name nagavitive ion)=200724-NEG-055-CS13316.mzML; RAW_FILE_NAME(Raw file name positive ion)=200724-POS-055-CS13316.mzML; RAW_FILE_NAME(Raw file name nagavitive ion repeat1)=NA; RAW_FILE_NAME(Raw file name nagavitive ion repeat2)=NA SUBJECT_SAMPLE_FACTORS C058 CS13319 Sample source:blood | Group:Control | Timepoint:-3 Batch=B1; RAW_FILE_NAME(Raw file name nagavitive ion)=200724-NEG-070-CS13319.mzML; RAW_FILE_NAME(Raw file name positive ion)=200724-POS-070-CS13319.mzML; RAW_FILE_NAME(Raw file name nagavitive ion repeat1)=NA; RAW_FILE_NAME(Raw file name nagavitive ion repeat2)=NA SUBJECT_SAMPLE_FACTORS C041 CS13334 Sample source:blood | Group:Control | Timepoint:-3 Batch=B2; RAW_FILE_NAME(Raw file name nagavitive ion)=200730-NEG-392-CS13334.mzML; RAW_FILE_NAME(Raw file name positive ion)=200730-POS-392-CS13334.mzML; RAW_FILE_NAME(Raw file name nagavitive ion repeat1)=NA; RAW_FILE_NAME(Raw file name nagavitive ion repeat2)=NA SUBJECT_SAMPLE_FACTORS C090 CS13337 Sample source:blood | Group:Control | Timepoint:-3 Batch=B2; RAW_FILE_NAME(Raw file name nagavitive ion)=200730-NEG-311-CS13337.mzML; RAW_FILE_NAME(Raw file name positive ion)=200730-POS-311-CS13337.mzML; RAW_FILE_NAME(Raw file name nagavitive ion repeat1)=NA; RAW_FILE_NAME(Raw file name nagavitive ion repeat2)=NA SUBJECT_SAMPLE_FACTORS C038 CS13378 Sample source:blood | Group:Control | Timepoint:-3 Batch=B2; RAW_FILE_NAME(Raw file name nagavitive ion)=200730-NEG-321-CS13378.mzML; RAW_FILE_NAME(Raw file name positive ion)=200730-POS-321-CS13378.mzML; RAW_FILE_NAME(Raw file name nagavitive ion repeat1)=NA; RAW_FILE_NAME(Raw file name nagavitive ion repeat2)=NA SUBJECT_SAMPLE_FACTORS C033 CS12946 Sample source:blood | Group:Control | Timepoint:Pre Batch=B1; RAW_FILE_NAME(Raw file name nagavitive ion)=200724-NEG-120-CS12946.mzML; RAW_FILE_NAME(Raw file name positive ion)=200724-POS-120-CS12946.mzML; RAW_FILE_NAME(Raw file name nagavitive ion repeat1)=NA; RAW_FILE_NAME(Raw file name nagavitive ion repeat2)=NA SUBJECT_SAMPLE_FACTORS C039 CS12949 Sample source:blood | Group:Control | Timepoint:Pre Batch=B3; RAW_FILE_NAME(Raw file name nagavitive ion)=200807-NEG-471-CS12949.mzML; RAW_FILE_NAME(Raw file name positive ion)=200807-POS-471-CS12949.mzML; RAW_FILE_NAME(Raw file name nagavitive ion repeat1)=NA; RAW_FILE_NAME(Raw file name nagavitive ion repeat2)=NA SUBJECT_SAMPLE_FACTORS C050 CS12952 Sample source:blood | Group:Control | Timepoint:Pre Batch=B1; RAW_FILE_NAME(Raw file name nagavitive ion)=200724-NEG-145-CS12952.mzML; RAW_FILE_NAME(Raw file name positive ion)=200724-POS-145-CS12952.mzML; RAW_FILE_NAME(Raw file name nagavitive ion repeat1)=NA; RAW_FILE_NAME(Raw file name nagavitive ion repeat2)=NA SUBJECT_SAMPLE_FACTORS C060 CS12955 Sample source:blood | Group:Control | Timepoint:Pre Batch=B3; RAW_FILE_NAME(Raw file name nagavitive ion)=200807-NEG-443-CS12955.mzML; RAW_FILE_NAME(Raw file name positive ion)=200807-POS-443-CS12955.mzML; RAW_FILE_NAME(Raw file name nagavitive ion repeat1)=NA; RAW_FILE_NAME(Raw file name nagavitive ion repeat2)=NA SUBJECT_SAMPLE_FACTORS C062 CS12979 Sample source:blood | Group:Control | Timepoint:Pre Batch=B2; RAW_FILE_NAME(Raw file name nagavitive ion)=200730-NEG-344-CS12979.mzML; RAW_FILE_NAME(Raw file name positive ion)=200730-POS-344-CS12979.mzML; RAW_FILE_NAME(Raw file name nagavitive ion repeat1)=NA; RAW_FILE_NAME(Raw file name nagavitive ion repeat2)=NA SUBJECT_SAMPLE_FACTORS C038 CS12988 Sample source:blood | Group:Control | Timepoint:Pre Batch=B2; RAW_FILE_NAME(Raw file name nagavitive ion)=200730-NEG-322-CS12988.mzML; RAW_FILE_NAME(Raw file name positive ion)=200730-POS-322-CS12988.mzML; RAW_FILE_NAME(Raw file name nagavitive ion repeat1)=NA; RAW_FILE_NAME(Raw file name nagavitive ion repeat2)=NA SUBJECT_SAMPLE_FACTORS C195 CS12999 Sample source:blood | Group:Control | Timepoint:Pre Batch=B1; RAW_FILE_NAME(Raw file name nagavitive ion)=200724-NEG-061-CS12999.mzML; RAW_FILE_NAME(Raw file name positive ion)=200724-POS-061-CS12999.mzML; RAW_FILE_NAME(Raw file name nagavitive ion repeat1)=NA; RAW_FILE_NAME(Raw file name nagavitive ion repeat2)=NA SUBJECT_SAMPLE_FACTORS C207 CS13002 Sample source:blood | Group:Control | Timepoint:Pre Batch=B2; RAW_FILE_NAME(Raw file name nagavitive ion)=200730-NEG-417-CS13002.mzML; RAW_FILE_NAME(Raw file name positive ion)=200730-POS-417-CS13002.mzML; RAW_FILE_NAME(Raw file name nagavitive ion repeat1)=NA; RAW_FILE_NAME(Raw file name nagavitive ion repeat2)=NA SUBJECT_SAMPLE_FACTORS C193 CS13005 Sample source:blood | Group:Control | Timepoint:Pre Batch=B2; RAW_FILE_NAME(Raw file name nagavitive ion)=200730-NEG-314-CS13005.mzML; RAW_FILE_NAME(Raw file name positive ion)=200730-POS-314-CS13005.mzML; RAW_FILE_NAME(Raw file name nagavitive ion repeat1)=NA; RAW_FILE_NAME(Raw file name nagavitive ion repeat2)=NA SUBJECT_SAMPLE_FACTORS C214 CS13008 Sample source:blood | Group:Control | Timepoint:Pre Batch=B2; RAW_FILE_NAME(Raw file name nagavitive ion)=200730-NEG-414-CS13008.mzML; RAW_FILE_NAME(Raw file name positive ion)=200730-POS-414-CS13008.mzML; RAW_FILE_NAME(Raw file name nagavitive ion repeat1)=NA; RAW_FILE_NAME(Raw file name nagavitive ion repeat2)=NA SUBJECT_SAMPLE_FACTORS C215 CS13011 Sample source:blood | Group:Control | Timepoint:Pre Batch=B1; RAW_FILE_NAME(Raw file name nagavitive ion)=200724-NEG-048-CS13011.mzML; RAW_FILE_NAME(Raw file name positive ion)=200724-POS-048-CS13011.mzML; RAW_FILE_NAME(Raw file name nagavitive ion repeat1)=NA; RAW_FILE_NAME(Raw file name nagavitive ion repeat2)=NA SUBJECT_SAMPLE_FACTORS C217 CS13014 Sample source:blood | Group:Control | Timepoint:Pre Batch=B1; RAW_FILE_NAME(Raw file name nagavitive ion)=200724-NEG-137-CS13014.mzML; RAW_FILE_NAME(Raw file name positive ion)=200724-POS-137-CS13014.mzML; RAW_FILE_NAME(Raw file name nagavitive ion repeat1)=NA; RAW_FILE_NAME(Raw file name nagavitive ion repeat2)=NA SUBJECT_SAMPLE_FACTORS C230 CS13017 Sample source:blood | Group:Control | Timepoint:Pre Batch=B3; RAW_FILE_NAME(Raw file name nagavitive ion)=200807-NEG-451-CS13017.mzML; RAW_FILE_NAME(Raw file name positive ion)=200807-POS-451-CS13017.mzML; RAW_FILE_NAME(Raw file name nagavitive ion repeat1)=NA; RAW_FILE_NAME(Raw file name nagavitive ion repeat2)=NA SUBJECT_SAMPLE_FACTORS C197 CS13087 Sample source:blood | Group:Control | Timepoint:Pre Batch=B2; RAW_FILE_NAME(Raw file name nagavitive ion)=200730-NEG-400-CS13087.mzML; RAW_FILE_NAME(Raw file name positive ion)=200730-POS-400-CS13087.mzML; RAW_FILE_NAME(Raw file name nagavitive ion repeat1)=NA; RAW_FILE_NAME(Raw file name nagavitive ion repeat2)=NA SUBJECT_SAMPLE_FACTORS C262 CS13090 Sample source:blood | Group:Control | Timepoint:Pre Batch=B2; RAW_FILE_NAME(Raw file name nagavitive ion)=200730-NEG-229-CS13090.mzML; RAW_FILE_NAME(Raw file name positive ion)=200730-POS-229-CS13090.mzML; RAW_FILE_NAME(Raw file name nagavitive ion repeat1)=NA; RAW_FILE_NAME(Raw file name nagavitive ion repeat2)=NA SUBJECT_SAMPLE_FACTORS C245 CS13093 Sample source:blood | Group:Control | Timepoint:Pre Batch=B3; RAW_FILE_NAME(Raw file name nagavitive ion)=200807-NEG-563-CS13093.mzML; RAW_FILE_NAME(Raw file name positive ion)=200807-POS-563-CS13093.mzML; RAW_FILE_NAME(Raw file name nagavitive ion repeat1)=NA; RAW_FILE_NAME(Raw file name nagavitive ion repeat2)=NA SUBJECT_SAMPLE_FACTORS C246 CS13096 Sample source:blood | Group:Control | Timepoint:Pre Batch=B2; RAW_FILE_NAME(Raw file name nagavitive ion)=200730-NEG-385-CS13096.mzML; RAW_FILE_NAME(Raw file name positive ion)=200730-POS-385-CS13096.mzML; RAW_FILE_NAME(Raw file name nagavitive ion repeat1)=NA; RAW_FILE_NAME(Raw file name nagavitive ion repeat2)=NA SUBJECT_SAMPLE_FACTORS C250 CS13099 Sample source:blood | Group:Control | Timepoint:Pre Batch=B2; RAW_FILE_NAME(Raw file name nagavitive ion)=200730-NEG-298-CS13099.mzML; RAW_FILE_NAME(Raw file name positive ion)=200730-POS-298-CS13099.mzML; RAW_FILE_NAME(Raw file name nagavitive ion repeat1)=NA; RAW_FILE_NAME(Raw file name nagavitive ion repeat2)=NA SUBJECT_SAMPLE_FACTORS C260 CS13102 Sample source:blood | Group:Control | Timepoint:Pre Batch=B1; RAW_FILE_NAME(Raw file name nagavitive ion)=200724-NEG-011-CS13102.mzML; RAW_FILE_NAME(Raw file name positive ion)=200724-POS-011-CS13102.mzML; RAW_FILE_NAME(Raw file name nagavitive ion repeat1)=NA; RAW_FILE_NAME(Raw file name nagavitive ion repeat2)=NA SUBJECT_SAMPLE_FACTORS C261 CS13105 Sample source:blood | Group:Control | Timepoint:Pre Batch=B1; RAW_FILE_NAME(Raw file name nagavitive ion)=200724-NEG-186-CS13105.mzML; RAW_FILE_NAME(Raw file name positive ion)=200724-POS-186-CS13105.mzML; RAW_FILE_NAME(Raw file name nagavitive ion repeat1)=NA; RAW_FILE_NAME(Raw file name nagavitive ion repeat2)=NA SUBJECT_SAMPLE_FACTORS C264 CS13108 Sample source:blood | Group:Control | Timepoint:Pre Batch=B1; RAW_FILE_NAME(Raw file name nagavitive ion)=200724-NEG-160-CS13108.mzML; RAW_FILE_NAME(Raw file name positive ion)=200724-POS-160-CS13108.mzML; RAW_FILE_NAME(Raw file name nagavitive ion repeat1)=NA; RAW_FILE_NAME(Raw file name nagavitive ion repeat2)=NA SUBJECT_SAMPLE_FACTORS C278 CS13111 Sample source:blood | Group:Control | Timepoint:Pre Batch=B3; RAW_FILE_NAME(Raw file name nagavitive ion)=200807-NEG-502-CS13111.mzML; RAW_FILE_NAME(Raw file name positive ion)=200807-POS-502-CS13111.mzML; RAW_FILE_NAME(Raw file name nagavitive ion repeat1)=NA; RAW_FILE_NAME(Raw file name nagavitive ion repeat2)=NA SUBJECT_SAMPLE_FACTORS C257 CS13114 Sample source:blood | Group:Control | Timepoint:Pre Batch=B2; RAW_FILE_NAME(Raw file name nagavitive ion)=200730-NEG-327-CS13114.mzML; RAW_FILE_NAME(Raw file name positive ion)=200730-POS-327-CS13114.mzML; RAW_FILE_NAME(Raw file name nagavitive ion repeat1)=NA; RAW_FILE_NAME(Raw file name nagavitive ion repeat2)=NA SUBJECT_SAMPLE_FACTORS C292 CS13147 Sample source:blood | Group:Control | Timepoint:Pre Batch=B2; RAW_FILE_NAME(Raw file name nagavitive ion)=200730-NEG-360-CS13147.mzML; RAW_FILE_NAME(Raw file name positive ion)=200730-POS-360-CS13147.mzML; RAW_FILE_NAME(Raw file name nagavitive ion repeat1)=NA; RAW_FILE_NAME(Raw file name nagavitive ion repeat2)=NA SUBJECT_SAMPLE_FACTORS C034 CS13162 Sample source:blood | Group:Control | Timepoint:Pre Batch=B3; RAW_FILE_NAME(Raw file name nagavitive ion)=200807-NEG-539-CS13162.mzML; RAW_FILE_NAME(Raw file name positive ion)=200807-POS-539-CS13162.mzML; RAW_FILE_NAME(Raw file name nagavitive ion repeat1)=NA; RAW_FILE_NAME(Raw file name nagavitive ion repeat2)=NA SUBJECT_SAMPLE_FACTORS C266 CS13177 Sample source:blood | Group:Control | Timepoint:Pre Batch=B2; RAW_FILE_NAME(Raw file name nagavitive ion)=200730-NEG-250-CS13177.mzML; RAW_FILE_NAME(Raw file name positive ion)=200730-POS-250-CS13177.mzML; RAW_FILE_NAME(Raw file name nagavitive ion repeat1)=NA; RAW_FILE_NAME(Raw file name nagavitive ion repeat2)=NA SUBJECT_SAMPLE_FACTORS C269 CS13180 Sample source:blood | Group:Control | Timepoint:Pre Batch=B2; RAW_FILE_NAME(Raw file name nagavitive ion)=200730-NEG-356-CS13180.mzML; RAW_FILE_NAME(Raw file name positive ion)=200730-POS-356-CS13180.mzML; RAW_FILE_NAME(Raw file name nagavitive ion repeat1)=NA; RAW_FILE_NAME(Raw file name nagavitive ion repeat2)=NA SUBJECT_SAMPLE_FACTORS C091 CS13192 Sample source:blood | Group:Control | Timepoint:Pre Batch=B1; RAW_FILE_NAME(Raw file name nagavitive ion)=200724-NEG-016-CS13192.mzML; RAW_FILE_NAME(Raw file name positive ion)=200724-POS-016-CS13192.mzML; RAW_FILE_NAME(Raw file name nagavitive ion repeat1)=NA; RAW_FILE_NAME(Raw file name nagavitive ion repeat2)=NA SUBJECT_SAMPLE_FACTORS C122 CS13213 Sample source:blood | Group:Control | Timepoint:Pre Batch=B2; RAW_FILE_NAME(Raw file name nagavitive ion)=200730-NEG-255-CS13213.mzML; RAW_FILE_NAME(Raw file name positive ion)=200730-POS-255-CS13213.mzML; RAW_FILE_NAME(Raw file name nagavitive ion repeat1)=NA; RAW_FILE_NAME(Raw file name nagavitive ion repeat2)=NA SUBJECT_SAMPLE_FACTORS C146 CS13216 Sample source:blood | Group:Control | Timepoint:Pre Batch=B3; RAW_FILE_NAME(Raw file name nagavitive ion)=200807-NEG-521-CS13216.mzML; RAW_FILE_NAME(Raw file name positive ion)=200807-POS-521-CS13216.mzML; RAW_FILE_NAME(Raw file name nagavitive ion repeat1)=NA; RAW_FILE_NAME(Raw file name nagavitive ion repeat2)=NA SUBJECT_SAMPLE_FACTORS C155 CS13219 Sample source:blood | Group:Control | Timepoint:Pre Batch=B1; RAW_FILE_NAME(Raw file name nagavitive ion)=200724-NEG-082-CS13219.mzML; RAW_FILE_NAME(Raw file name positive ion)=200724-POS-082-CS13219.mzML; RAW_FILE_NAME(Raw file name nagavitive ion repeat1)=NA; RAW_FILE_NAME(Raw file name nagavitive ion repeat2)=NA SUBJECT_SAMPLE_FACTORS C144 CS13237 Sample source:blood | Group:Control | Timepoint:Pre Batch=B1; RAW_FILE_NAME(Raw file name nagavitive ion)=200724-NEG-092-CS13237.mzML; RAW_FILE_NAME(Raw file name positive ion)=200724-POS-092-CS13237.mzML; RAW_FILE_NAME(Raw file name nagavitive ion repeat1)=NA; RAW_FILE_NAME(Raw file name nagavitive ion repeat2)=NA SUBJECT_SAMPLE_FACTORS C149 CS13252 Sample source:blood | Group:Control | Timepoint:Pre Batch=B1; RAW_FILE_NAME(Raw file name nagavitive ion)=200724-NEG-104-CS13252.mzML; RAW_FILE_NAME(Raw file name positive ion)=200724-POS-104-CS13252.mzML; RAW_FILE_NAME(Raw file name nagavitive ion repeat1)=NA; RAW_FILE_NAME(Raw file name nagavitive ion repeat2)=NA SUBJECT_SAMPLE_FACTORS C179 CS13255 Sample source:blood | Group:Control | Timepoint:Pre Batch=B3; RAW_FILE_NAME(Raw file name nagavitive ion)=200807-NEG-466-CS13255.mzML; RAW_FILE_NAME(Raw file name positive ion)=200807-POS-466-CS13255.mzML; RAW_FILE_NAME(Raw file name nagavitive ion repeat1)=NA; RAW_FILE_NAME(Raw file name nagavitive ion repeat2)=NA SUBJECT_SAMPLE_FACTORS C057 CS13315 Sample source:blood | Group:Control | Timepoint:Pre Batch=B1; RAW_FILE_NAME(Raw file name nagavitive ion)=200724-NEG-053-CS13315.mzML; RAW_FILE_NAME(Raw file name positive ion)=200724-POS-053-CS13315.mzML; RAW_FILE_NAME(Raw file name nagavitive ion repeat1)=NA; RAW_FILE_NAME(Raw file name nagavitive ion repeat2)=NA SUBJECT_SAMPLE_FACTORS C058 CS13318 Sample source:blood | Group:Control | Timepoint:Pre Batch=B1; RAW_FILE_NAME(Raw file name nagavitive ion)=200724-NEG-071-CS13318.mzML; RAW_FILE_NAME(Raw file name positive ion)=200724-POS-071-CS13318.mzML; RAW_FILE_NAME(Raw file name nagavitive ion repeat1)=NA; RAW_FILE_NAME(Raw file name nagavitive ion repeat2)=NA SUBJECT_SAMPLE_FACTORS C041 CS13333 Sample source:blood | Group:Control | Timepoint:Pre Batch=B2; RAW_FILE_NAME(Raw file name nagavitive ion)=200730-NEG-393-CS13333.mzML; RAW_FILE_NAME(Raw file name positive ion)=200730-POS-393-CS13333.mzML; RAW_FILE_NAME(Raw file name nagavitive ion repeat1)=NA; RAW_FILE_NAME(Raw file name nagavitive ion repeat2)=NA SUBJECT_SAMPLE_FACTORS C090 CS13336 Sample source:blood | Group:Control | Timepoint:Pre Batch=B2; RAW_FILE_NAME(Raw file name nagavitive ion)=200730-NEG-313-CS13336.mzML; RAW_FILE_NAME(Raw file name positive ion)=200730-POS-313-CS13336.mzML; RAW_FILE_NAME(Raw file name nagavitive ion repeat1)=NA; RAW_FILE_NAME(Raw file name nagavitive ion repeat2)=NA SUBJECT_SAMPLE_FACTORS NA 200724_007-QC_01 Sample source:blood | Group:QC | Timepoint:NA Batch=B1; RAW_FILE_NAME(Raw file name nagavitive ion)=200724-NEG-007-QC_01.mzML; RAW_FILE_NAME(Raw file name positive ion)=200724-POS-007-QC_01.mzML; RAW_FILE_NAME(Raw file name nagavitive ion repeat1)=NA; RAW_FILE_NAME(Raw file name nagavitive ion repeat2)=NA SUBJECT_SAMPLE_FACTORS NA 200724_008-QC_02 Sample source:blood | Group:QC | Timepoint:NA Batch=B1; RAW_FILE_NAME(Raw file name nagavitive ion)=200724-NEG-008-QC_02.mzML; RAW_FILE_NAME(Raw file name positive ion)=200724-POS-008-QC_02.mzML; RAW_FILE_NAME(Raw file name nagavitive ion repeat1)=NA; RAW_FILE_NAME(Raw file name nagavitive ion repeat2)=NA SUBJECT_SAMPLE_FACTORS NA 200724_009-QC_MSMS1 Sample source:blood | Group:QC | Timepoint:NA Batch=B1; RAW_FILE_NAME(Raw file name nagavitive ion)=200724-NEG-009-QC_MSMS1.mzML; RAW_FILE_NAME(Raw file name positive ion)=200724-POS-009-QC_MSMS1.mzML; RAW_FILE_NAME(Raw file name nagavitive ion repeat1)=NA; RAW_FILE_NAME(Raw file name nagavitive ion repeat2)=NA SUBJECT_SAMPLE_FACTORS NA 200724_010-QC_03 Sample source:blood | Group:QC | Timepoint:NA Batch=B1; RAW_FILE_NAME(Raw file name nagavitive ion)=200724-NEG-010-QC_03.mzML; RAW_FILE_NAME(Raw file name positive ion)=200724-POS-010-QC_03.mzML; RAW_FILE_NAME(Raw file name nagavitive ion repeat1)=NA; RAW_FILE_NAME(Raw file name nagavitive ion repeat2)=NA SUBJECT_SAMPLE_FACTORS NA 200724_017-QC_04 Sample source:blood | Group:QC | Timepoint:NA Batch=B1; RAW_FILE_NAME(Raw file name nagavitive ion)=200724-NEG-017-QC_04.mzML; RAW_FILE_NAME(Raw file name positive ion)=200724-POS-017-QC_04.mzML; RAW_FILE_NAME(Raw file name nagavitive ion repeat1)=NA; RAW_FILE_NAME(Raw file name nagavitive ion repeat2)=NA SUBJECT_SAMPLE_FACTORS NA 200724_024-QC_05 Sample source:blood | Group:QC | Timepoint:NA Batch=B1; RAW_FILE_NAME(Raw file name nagavitive ion)=200724-NEG-024-QC_05.mzML; RAW_FILE_NAME(Raw file name positive ion)=200724-POS-024-QC_05.mzML; RAW_FILE_NAME(Raw file name nagavitive ion repeat1)=NA; RAW_FILE_NAME(Raw file name nagavitive ion repeat2)=NA SUBJECT_SAMPLE_FACTORS NA 200724_031-QC_06 Sample source:blood | Group:QC | Timepoint:NA Batch=B1; RAW_FILE_NAME(Raw file name nagavitive ion)=200724-NEG-031-QC_06.mzML; RAW_FILE_NAME(Raw file name positive ion)=200724-POS-031-QC_06.mzML; RAW_FILE_NAME(Raw file name nagavitive ion repeat1)=NA; RAW_FILE_NAME(Raw file name nagavitive ion repeat2)=NA SUBJECT_SAMPLE_FACTORS NA 200724_038-QC_07 Sample source:blood | Group:QC | Timepoint:NA Batch=B1; RAW_FILE_NAME(Raw file name nagavitive ion)=200724-NEG-038-QC_07.mzML; RAW_FILE_NAME(Raw file name positive ion)=200724-POS-038-QC_07.mzML; RAW_FILE_NAME(Raw file name nagavitive ion repeat1)=NA; RAW_FILE_NAME(Raw file name nagavitive ion repeat2)=NA SUBJECT_SAMPLE_FACTORS NA 200724_045-QC_08 Sample source:blood | Group:QC | Timepoint:NA Batch=B1; RAW_FILE_NAME(Raw file name nagavitive ion)=200724-NEG-045-QC_08.mzML; RAW_FILE_NAME(Raw file name positive ion)=200724-POS-045-QC_08.mzML; RAW_FILE_NAME(Raw file name nagavitive ion repeat1)=NA; RAW_FILE_NAME(Raw file name nagavitive ion repeat2)=NA SUBJECT_SAMPLE_FACTORS NA 200724_052-QC_09 Sample source:blood | Group:QC | Timepoint:NA Batch=B1; RAW_FILE_NAME(Raw file name nagavitive ion)=200724-NEG-052-QC_09.mzML; RAW_FILE_NAME(Raw file name positive ion)=200724-POS-052-QC_09.mzML; RAW_FILE_NAME(Raw file name nagavitive ion repeat1)=NA; RAW_FILE_NAME(Raw file name nagavitive ion repeat2)=NA SUBJECT_SAMPLE_FACTORS NA 200724_059-QC_10 Sample source:blood | Group:QC | Timepoint:NA Batch=B1; RAW_FILE_NAME(Raw file name nagavitive ion)=200724-NEG-059-QC_10.mzML; RAW_FILE_NAME(Raw file name positive ion)=200724-POS-059-QC_10.mzML; RAW_FILE_NAME(Raw file name nagavitive ion repeat1)=NA; RAW_FILE_NAME(Raw file name nagavitive ion repeat2)=NA SUBJECT_SAMPLE_FACTORS NA 200724_066-QC_11 Sample source:blood | Group:QC | Timepoint:NA Batch=B1; RAW_FILE_NAME(Raw file name nagavitive ion)=200724-NEG-066-QC_11.mzML; RAW_FILE_NAME(Raw file name positive ion)=200724-POS-066-QC_11.mzML; RAW_FILE_NAME(Raw file name nagavitive ion repeat1)=NA; RAW_FILE_NAME(Raw file name nagavitive ion repeat2)=NA SUBJECT_SAMPLE_FACTORS NA 200724_073-QC_12 Sample source:blood | Group:QC | Timepoint:NA Batch=B1; RAW_FILE_NAME(Raw file name nagavitive ion)=200724-NEG-073-QC_12.mzML; RAW_FILE_NAME(Raw file name positive ion)=200724-POS-073-QC_12.mzML; RAW_FILE_NAME(Raw file name nagavitive ion repeat1)=NA; RAW_FILE_NAME(Raw file name nagavitive ion repeat2)=NA SUBJECT_SAMPLE_FACTORS NA 200724_080-QC_13 Sample source:blood | Group:QC | Timepoint:NA Batch=B1; RAW_FILE_NAME(Raw file name nagavitive ion)=200724-NEG-080-QC_13.mzML; RAW_FILE_NAME(Raw file name positive ion)=200724-POS-080-QC_13.mzML; RAW_FILE_NAME(Raw file name nagavitive ion repeat1)=NA; RAW_FILE_NAME(Raw file name nagavitive ion repeat2)=NA SUBJECT_SAMPLE_FACTORS NA 200724_087-QC_14 Sample source:blood | Group:QC | Timepoint:NA Batch=B1; RAW_FILE_NAME(Raw file name nagavitive ion)=200724-NEG-087-QC_14.mzML; RAW_FILE_NAME(Raw file name positive ion)=200724-POS-087-QC_14.mzML; RAW_FILE_NAME(Raw file name nagavitive ion repeat1)=NA; RAW_FILE_NAME(Raw file name nagavitive ion repeat2)=NA SUBJECT_SAMPLE_FACTORS NA 200724_094-QC_15 Sample source:blood | Group:QC | Timepoint:NA Batch=B1; RAW_FILE_NAME(Raw file name nagavitive ion)=200724-NEG-094-QC_15.mzML; RAW_FILE_NAME(Raw file name positive ion)=200724-POS-094-QC_15.mzML; RAW_FILE_NAME(Raw file name nagavitive ion repeat1)=NA; RAW_FILE_NAME(Raw file name nagavitive ion repeat2)=NA SUBJECT_SAMPLE_FACTORS NA 200724_101-QC_16 Sample source:blood | Group:QC | Timepoint:NA Batch=B1; RAW_FILE_NAME(Raw file name nagavitive ion)=200724-NEG-101-QC_16.mzML; RAW_FILE_NAME(Raw file name positive ion)=200724-POS-101-QC_16.mzML; RAW_FILE_NAME(Raw file name nagavitive ion repeat1)=NA; RAW_FILE_NAME(Raw file name nagavitive ion repeat2)=NA SUBJECT_SAMPLE_FACTORS NA 200724_108-QC_17 Sample source:blood | Group:QC | Timepoint:NA Batch=B1; RAW_FILE_NAME(Raw file name nagavitive ion)=200724-NEG-108-QC_17.mzML; RAW_FILE_NAME(Raw file name positive ion)=200724-POS-108-QC_17.mzML; RAW_FILE_NAME(Raw file name nagavitive ion repeat1)=NA; RAW_FILE_NAME(Raw file name nagavitive ion repeat2)=NA SUBJECT_SAMPLE_FACTORS NA 200724_115-QC_18 Sample source:blood | Group:QC | Timepoint:NA Batch=B1; RAW_FILE_NAME(Raw file name nagavitive ion)=200724-NEG-115-QC_18.mzML; RAW_FILE_NAME(Raw file name positive ion)=200724-POS-115-QC_18.mzML; RAW_FILE_NAME(Raw file name nagavitive ion repeat1)=NA; RAW_FILE_NAME(Raw file name nagavitive ion repeat2)=NA SUBJECT_SAMPLE_FACTORS NA 200724_122-QC_19 Sample source:blood | Group:QC | Timepoint:NA Batch=B1; RAW_FILE_NAME(Raw file name nagavitive ion)=200724-NEG-122-QC_19.mzML; RAW_FILE_NAME(Raw file name positive ion)=200724-POS-122-QC_19.mzML; RAW_FILE_NAME(Raw file name nagavitive ion repeat1)=NA; RAW_FILE_NAME(Raw file name nagavitive ion repeat2)=NA SUBJECT_SAMPLE_FACTORS NA 200724_129-QC_20 Sample source:blood | Group:QC | Timepoint:NA Batch=B1; RAW_FILE_NAME(Raw file name nagavitive ion)=200724-NEG-129-QC_20.mzML; RAW_FILE_NAME(Raw file name positive ion)=200724-POS-129-QC_20.mzML; RAW_FILE_NAME(Raw file name nagavitive ion repeat1)=NA; RAW_FILE_NAME(Raw file name nagavitive ion repeat2)=NA SUBJECT_SAMPLE_FACTORS NA 200724_136-QC_21 Sample source:blood | Group:QC | Timepoint:NA Batch=B1; RAW_FILE_NAME(Raw file name nagavitive ion)=200724-NEG-136-QC_21.mzML; RAW_FILE_NAME(Raw file name positive ion)=200724-POS-136-QC_21.mzML; RAW_FILE_NAME(Raw file name nagavitive ion repeat1)=NA; RAW_FILE_NAME(Raw file name nagavitive ion repeat2)=NA SUBJECT_SAMPLE_FACTORS NA 200724_143-QC_22 Sample source:blood | Group:QC | Timepoint:NA Batch=B1; RAW_FILE_NAME(Raw file name nagavitive ion)=200724-NEG-143-QC_22.mzML; RAW_FILE_NAME(Raw file name positive ion)=200724-POS-143-QC_22.mzML; RAW_FILE_NAME(Raw file name nagavitive ion repeat1)=NA; RAW_FILE_NAME(Raw file name nagavitive ion repeat2)=NA SUBJECT_SAMPLE_FACTORS NA 200724_150-QC_23 Sample source:blood | Group:QC | Timepoint:NA Batch=B1; RAW_FILE_NAME(Raw file name nagavitive ion)=200724-NEG-150-QC_23.mzML; RAW_FILE_NAME(Raw file name positive ion)=200724-POS-150-QC_23.mzML; RAW_FILE_NAME(Raw file name nagavitive ion repeat1)=NA; RAW_FILE_NAME(Raw file name nagavitive ion repeat2)=NA SUBJECT_SAMPLE_FACTORS NA 200724_157-QC_24 Sample source:blood | Group:QC | Timepoint:NA Batch=B1; RAW_FILE_NAME(Raw file name nagavitive ion)=200724-NEG-157-QC_24.mzML; RAW_FILE_NAME(Raw file name positive ion)=200724-POS-157-QC_24.mzML; RAW_FILE_NAME(Raw file name nagavitive ion repeat1)=NA; RAW_FILE_NAME(Raw file name nagavitive ion repeat2)=NA SUBJECT_SAMPLE_FACTORS NA 200724_164-QC_25 Sample source:blood | Group:QC | Timepoint:NA Batch=B1; RAW_FILE_NAME(Raw file name nagavitive ion)=200724-NEG-164-QC_25.mzML; RAW_FILE_NAME(Raw file name positive ion)=200724-POS-164-QC_25.mzML; RAW_FILE_NAME(Raw file name nagavitive ion repeat1)=NA; RAW_FILE_NAME(Raw file name nagavitive ion repeat2)=NA SUBJECT_SAMPLE_FACTORS NA 200724_171-QC_26 Sample source:blood | Group:QC | Timepoint:NA Batch=B1; RAW_FILE_NAME(Raw file name nagavitive ion)=200724-NEG-171-QC_26.mzML; RAW_FILE_NAME(Raw file name positive ion)=200724-POS-171-QC_26.mzML; RAW_FILE_NAME(Raw file name nagavitive ion repeat1)=NA; RAW_FILE_NAME(Raw file name nagavitive ion repeat2)=NA SUBJECT_SAMPLE_FACTORS NA 200724_178-QC_27 Sample source:blood | Group:QC | Timepoint:NA Batch=B1; RAW_FILE_NAME(Raw file name nagavitive ion)=200724-NEG-178-QC_27.mzML; RAW_FILE_NAME(Raw file name positive ion)=200724-POS-178-QC_27.mzML; RAW_FILE_NAME(Raw file name nagavitive ion repeat1)=NA; RAW_FILE_NAME(Raw file name nagavitive ion repeat2)=NA SUBJECT_SAMPLE_FACTORS NA 200724_185-QC_28 Sample source:blood | Group:QC | Timepoint:NA Batch=B1; RAW_FILE_NAME(Raw file name nagavitive ion)=200724-NEG-185-QC_28.mzML; RAW_FILE_NAME(Raw file name positive ion)=200724-POS-185-QC_28.mzML; RAW_FILE_NAME(Raw file name nagavitive ion repeat1)=NA; RAW_FILE_NAME(Raw file name nagavitive ion repeat2)=NA SUBJECT_SAMPLE_FACTORS NA 200724_192-QC_29 Sample source:blood | Group:QC | Timepoint:NA Batch=B1; RAW_FILE_NAME(Raw file name nagavitive ion)=200724-NEG-192-QC_29.mzML; RAW_FILE_NAME(Raw file name positive ion)=200724-POS-192-QC_29.mzML; RAW_FILE_NAME(Raw file name nagavitive ion repeat1)=NA; RAW_FILE_NAME(Raw file name nagavitive ion repeat2)=NA SUBJECT_SAMPLE_FACTORS NA 200724_199-QC_30 Sample source:blood | Group:QC | Timepoint:NA Batch=B1; RAW_FILE_NAME(Raw file name nagavitive ion)=200724-NEG-199-QC_30.mzML; RAW_FILE_NAME(Raw file name positive ion)=200724-POS-199-QC_30.mzML; RAW_FILE_NAME(Raw file name nagavitive ion repeat1)=NA; RAW_FILE_NAME(Raw file name nagavitive ion repeat2)=NA SUBJECT_SAMPLE_FACTORS NA 200724_206-QC_31_D Sample source:blood | Group:QC | Timepoint:NA Batch=B1; RAW_FILE_NAME(Raw file name nagavitive ion)=200724-NEG-206-QC_31_D.mzML; RAW_FILE_NAME(Raw file name positive ion)=200724-POS-206-QC_31_D.mzML; RAW_FILE_NAME(Raw file name nagavitive ion repeat1)=NA; RAW_FILE_NAME(Raw file name nagavitive ion repeat2)=NA SUBJECT_SAMPLE_FACTORS NA 200724_214-QC_32 Sample source:blood | Group:QC | Timepoint:NA Batch=B1; RAW_FILE_NAME(Raw file name nagavitive ion)=200724-NEG-214-QC_32.mzML; RAW_FILE_NAME(Raw file name positive ion)=200724-POS-214-QC_32.mzML; RAW_FILE_NAME(Raw file name nagavitive ion repeat1)=NA; RAW_FILE_NAME(Raw file name nagavitive ion repeat2)=NA SUBJECT_SAMPLE_FACTORS NA 200729_009-QC_MSMSinclu1 Sample source:blood | Group:QC | Timepoint:NA Batch=B1; RAW_FILE_NAME(Raw file name nagavitive ion)=200729-NEG-009-QC_MSMSinclu1.mzML; RAW_FILE_NAME(Raw file name positive ion)=200729-POS-009-QC_MSMSinclu1.mzML; RAW_FILE_NAME(Raw file name nagavitive ion repeat1)=NA; RAW_FILE_NAME(Raw file name nagavitive ion repeat2)=NA SUBJECT_SAMPLE_FACTORS NA 200730_223-QC_33 Sample source:blood | Group:QC | Timepoint:NA Batch=B2; RAW_FILE_NAME(Raw file name nagavitive ion)=200730-NEG-223-QC_33.mzML; RAW_FILE_NAME(Raw file name positive ion)=200730-POS-223-QC_33.mzML; RAW_FILE_NAME(Raw file name nagavitive ion repeat1)=NA; RAW_FILE_NAME(Raw file name nagavitive ion repeat2)=NA SUBJECT_SAMPLE_FACTORS NA 200730_224-QC_34 Sample source:blood | Group:QC | Timepoint:NA Batch=B2; RAW_FILE_NAME(Raw file name nagavitive ion)=200730-NEG-224-QC_34.mzML; RAW_FILE_NAME(Raw file name positive ion)=200730-POS-224-QC_34.mzML; RAW_FILE_NAME(Raw file name nagavitive ion repeat1)=NA; RAW_FILE_NAME(Raw file name nagavitive ion repeat2)=NA SUBJECT_SAMPLE_FACTORS NA 200730_225-QC_MSMS2 Sample source:blood | Group:QC | Timepoint:NA Batch=B2; RAW_FILE_NAME(Raw file name nagavitive ion)=200730-NEG-225-QC_MSMS2.mzML; RAW_FILE_NAME(Raw file name positive ion)=200730-POS-225-QC_MSMS2.mzML; RAW_FILE_NAME(Raw file name nagavitive ion repeat1)=NA; RAW_FILE_NAME(Raw file name nagavitive ion repeat2)=NA SUBJECT_SAMPLE_FACTORS NA 200730_225-QC_MSMS2_20200805131910 Sample source:blood | Group:QC | Timepoint:NA Batch=B2; RAW_FILE_NAME(Raw file name nagavitive ion)=NA; RAW_FILE_NAME(Raw file name positive ion)=200730-POS-225-QC_MSMS2_20200805131910.mzML; RAW_FILE_NAME(Raw file name nagavitive ion repeat1)=NA; RAW_FILE_NAME(Raw file name nagavitive ion repeat2)=NA SUBJECT_SAMPLE_FACTORS NA 200730_225-QC_MSMS2_20200805133500 Sample source:blood | Group:QC | Timepoint:NA Batch=B2; RAW_FILE_NAME(Raw file name nagavitive ion)=200730-NEG-225-QC_MSMS2_20200805133500.mzML; RAW_FILE_NAME(Raw file name positive ion)=NA; RAW_FILE_NAME(Raw file name nagavitive ion repeat1)=NA; RAW_FILE_NAME(Raw file name nagavitive ion repeat2)=NA SUBJECT_SAMPLE_FACTORS NA 200730_226-QC_35 Sample source:blood | Group:QC | Timepoint:NA Batch=B2; RAW_FILE_NAME(Raw file name nagavitive ion)=200730-NEG-226-QC_35.mzML; RAW_FILE_NAME(Raw file name positive ion)=200730-POS-226-QC_35.mzML; RAW_FILE_NAME(Raw file name nagavitive ion repeat1)=NA; RAW_FILE_NAME(Raw file name nagavitive ion repeat2)=NA SUBJECT_SAMPLE_FACTORS NA 200730_233-QC_36 Sample source:blood | Group:QC | Timepoint:NA Batch=B2; RAW_FILE_NAME(Raw file name nagavitive ion)=200730-NEG-233-QC_36.mzML; RAW_FILE_NAME(Raw file name positive ion)=200730-POS-233-QC_36.mzML; RAW_FILE_NAME(Raw file name nagavitive ion repeat1)=NA; RAW_FILE_NAME(Raw file name nagavitive ion repeat2)=NA SUBJECT_SAMPLE_FACTORS NA 200730_240-QC_37 Sample source:blood | Group:QC | Timepoint:NA Batch=B2; RAW_FILE_NAME(Raw file name nagavitive ion)=200730-NEG-240-QC_37.mzML; RAW_FILE_NAME(Raw file name positive ion)=200730-POS-240-QC_37.mzML; RAW_FILE_NAME(Raw file name nagavitive ion repeat1)=NA; RAW_FILE_NAME(Raw file name nagavitive ion repeat2)=NA SUBJECT_SAMPLE_FACTORS NA 200730_247-QC_38 Sample source:blood | Group:QC | Timepoint:NA Batch=B2; RAW_FILE_NAME(Raw file name nagavitive ion)=200730-NEG-247-QC_38.mzML; RAW_FILE_NAME(Raw file name positive ion)=200730-POS-247-QC_38.mzML; RAW_FILE_NAME(Raw file name nagavitive ion repeat1)=NA; RAW_FILE_NAME(Raw file name nagavitive ion repeat2)=NA SUBJECT_SAMPLE_FACTORS NA 200730_254-QC_39 Sample source:blood | Group:QC | Timepoint:NA Batch=B2; RAW_FILE_NAME(Raw file name nagavitive ion)=200730-NEG-254-QC_39.mzML; RAW_FILE_NAME(Raw file name positive ion)=200730-POS-254-QC_39.mzML; RAW_FILE_NAME(Raw file name nagavitive ion repeat1)=NA; RAW_FILE_NAME(Raw file name nagavitive ion repeat2)=NA SUBJECT_SAMPLE_FACTORS NA 200730_261b-QC_40 Sample source:blood | Group:QC | Timepoint:NA Batch=B2; RAW_FILE_NAME(Raw file name nagavitive ion)=200730-NEG-261b-QC_40.mzML; RAW_FILE_NAME(Raw file name positive ion)=NA; RAW_FILE_NAME(Raw file name nagavitive ion repeat1)=NA; RAW_FILE_NAME(Raw file name nagavitive ion repeat2)=NA SUBJECT_SAMPLE_FACTORS NA 200730_261c-QC_40 Sample source:blood | Group:QC | Timepoint:NA Batch=B2; RAW_FILE_NAME(Raw file name nagavitive ion)=200730-NEG-261c-QC_40.mzML; RAW_FILE_NAME(Raw file name positive ion)=NA; RAW_FILE_NAME(Raw file name nagavitive ion repeat1)=NA; RAW_FILE_NAME(Raw file name nagavitive ion repeat2)=NA SUBJECT_SAMPLE_FACTORS NA 200730_261d-QC_40 Sample source:blood | Group:QC | Timepoint:NA Batch=B2; RAW_FILE_NAME(Raw file name nagavitive ion)=200730-NEG-261d-QC_40.mzML; RAW_FILE_NAME(Raw file name positive ion)=NA; RAW_FILE_NAME(Raw file name nagavitive ion repeat1)=NA; RAW_FILE_NAME(Raw file name nagavitive ion repeat2)=NA SUBJECT_SAMPLE_FACTORS NA 200730_261e-QC_40 Sample source:blood | Group:QC | Timepoint:NA Batch=B2; RAW_FILE_NAME(Raw file name nagavitive ion)=200730-NEG-261e-QC_40.mzML; RAW_FILE_NAME(Raw file name positive ion)=NA; RAW_FILE_NAME(Raw file name nagavitive ion repeat1)=NA; RAW_FILE_NAME(Raw file name nagavitive ion repeat2)=NA SUBJECT_SAMPLE_FACTORS NA 200730_261-QC_40 Sample source:blood | Group:QC | Timepoint:NA Batch=B2; RAW_FILE_NAME(Raw file name nagavitive ion)=200730-NEG-261-QC_40.mzML; RAW_FILE_NAME(Raw file name positive ion)=200730-POS-261-QC_40.mzML; RAW_FILE_NAME(Raw file name nagavitive ion repeat1)=NA; RAW_FILE_NAME(Raw file name nagavitive ion repeat2)=NA SUBJECT_SAMPLE_FACTORS NA 200730_268-QC_41 Sample source:blood | Group:QC | Timepoint:NA Batch=B2; RAW_FILE_NAME(Raw file name nagavitive ion)=200730-NEG-268-QC_41.mzML; RAW_FILE_NAME(Raw file name positive ion)=200730-POS-268-QC_41.mzML; RAW_FILE_NAME(Raw file name nagavitive ion repeat1)=NA; RAW_FILE_NAME(Raw file name nagavitive ion repeat2)=NA SUBJECT_SAMPLE_FACTORS NA 200730_275-QC_42 Sample source:blood | Group:QC | Timepoint:NA Batch=B2; RAW_FILE_NAME(Raw file name nagavitive ion)=200730-NEG-275-QC_42.mzML; RAW_FILE_NAME(Raw file name positive ion)=200730-POS-275-QC_42.mzML; RAW_FILE_NAME(Raw file name nagavitive ion repeat1)=NA; RAW_FILE_NAME(Raw file name nagavitive ion repeat2)=NA SUBJECT_SAMPLE_FACTORS NA 200730_282-QC_43 Sample source:blood | Group:QC | Timepoint:NA Batch=B2; RAW_FILE_NAME(Raw file name nagavitive ion)=200730-NEG-282-QC_43.mzML; RAW_FILE_NAME(Raw file name positive ion)=200730-POS-282-QC_43.mzML; RAW_FILE_NAME(Raw file name nagavitive ion repeat1)=NA; RAW_FILE_NAME(Raw file name nagavitive ion repeat2)=NA SUBJECT_SAMPLE_FACTORS NA 200730_289-QC_44 Sample source:blood | Group:QC | Timepoint:NA Batch=B2; RAW_FILE_NAME(Raw file name nagavitive ion)=200730-NEG-289-QC_44.mzML; RAW_FILE_NAME(Raw file name positive ion)=200730-POS-289-QC_44.mzML; RAW_FILE_NAME(Raw file name nagavitive ion repeat1)=NA; RAW_FILE_NAME(Raw file name nagavitive ion repeat2)=NA SUBJECT_SAMPLE_FACTORS NA 200730_296-QC_45 Sample source:blood | Group:QC | Timepoint:NA Batch=B2; RAW_FILE_NAME(Raw file name nagavitive ion)=200730-NEG-296-QC_45.mzML; RAW_FILE_NAME(Raw file name positive ion)=200730-POS-296-QC_45.mzML; RAW_FILE_NAME(Raw file name nagavitive ion repeat1)=NA; RAW_FILE_NAME(Raw file name nagavitive ion repeat2)=NA SUBJECT_SAMPLE_FACTORS NA 200730_303-QC_46 Sample source:blood | Group:QC | Timepoint:NA Batch=B2; RAW_FILE_NAME(Raw file name nagavitive ion)=200730-NEG-303-QC_46.mzML; RAW_FILE_NAME(Raw file name positive ion)=200730-POS-303-QC_46.mzML; RAW_FILE_NAME(Raw file name nagavitive ion repeat1)=NA; RAW_FILE_NAME(Raw file name nagavitive ion repeat2)=NA SUBJECT_SAMPLE_FACTORS NA 200730_310-QC_47 Sample source:blood | Group:QC | Timepoint:NA Batch=B2; RAW_FILE_NAME(Raw file name nagavitive ion)=200730-NEG-310-QC_47.mzML; RAW_FILE_NAME(Raw file name positive ion)=200730-POS-310-QC_47.mzML; RAW_FILE_NAME(Raw file name nagavitive ion repeat1)=NA; RAW_FILE_NAME(Raw file name nagavitive ion repeat2)=NA SUBJECT_SAMPLE_FACTORS NA 200730_317-QC_48 Sample source:blood | Group:QC | Timepoint:NA Batch=B2; RAW_FILE_NAME(Raw file name nagavitive ion)=200730-NEG-317-QC_48.mzML; RAW_FILE_NAME(Raw file name positive ion)=200730-POS-317-QC_48.mzML; RAW_FILE_NAME(Raw file name nagavitive ion repeat1)=NA; RAW_FILE_NAME(Raw file name nagavitive ion repeat2)=NA SUBJECT_SAMPLE_FACTORS NA 200730_324-QC_49 Sample source:blood | Group:QC | Timepoint:NA Batch=B2; RAW_FILE_NAME(Raw file name nagavitive ion)=200730-NEG-324-QC_49.mzML; RAW_FILE_NAME(Raw file name positive ion)=200730-POS-324-QC_49.mzML; RAW_FILE_NAME(Raw file name nagavitive ion repeat1)=NA; RAW_FILE_NAME(Raw file name nagavitive ion repeat2)=NA SUBJECT_SAMPLE_FACTORS NA 200730_331-QC_50 Sample source:blood | Group:QC | Timepoint:NA Batch=B2; RAW_FILE_NAME(Raw file name nagavitive ion)=200730-NEG-331-QC_50.mzML; RAW_FILE_NAME(Raw file name positive ion)=200730-POS-331-QC_50.mzML; RAW_FILE_NAME(Raw file name nagavitive ion repeat1)=NA; RAW_FILE_NAME(Raw file name nagavitive ion repeat2)=NA SUBJECT_SAMPLE_FACTORS NA 200730_338-QC_51 Sample source:blood | Group:QC | Timepoint:NA Batch=B2; RAW_FILE_NAME(Raw file name nagavitive ion)=200730-NEG-338-QC_51.mzML; RAW_FILE_NAME(Raw file name positive ion)=200730-POS-338-QC_51.mzML; RAW_FILE_NAME(Raw file name nagavitive ion repeat1)=NA; RAW_FILE_NAME(Raw file name nagavitive ion repeat2)=NA SUBJECT_SAMPLE_FACTORS NA 200730_345-QC_52 Sample source:blood | Group:QC | Timepoint:NA Batch=B2; RAW_FILE_NAME(Raw file name nagavitive ion)=200730-NEG-345-QC_52.mzML; RAW_FILE_NAME(Raw file name positive ion)=200730-POS-345-QC_52.mzML; RAW_FILE_NAME(Raw file name nagavitive ion repeat1)=NA; RAW_FILE_NAME(Raw file name nagavitive ion repeat2)=NA SUBJECT_SAMPLE_FACTORS NA 200730_352-QC_53 Sample source:blood | Group:QC | Timepoint:NA Batch=B2; RAW_FILE_NAME(Raw file name nagavitive ion)=200730-NEG-352-QC_53.mzML; RAW_FILE_NAME(Raw file name positive ion)=200730-POS-352-QC_53.mzML; RAW_FILE_NAME(Raw file name nagavitive ion repeat1)=NA; RAW_FILE_NAME(Raw file name nagavitive ion repeat2)=NA SUBJECT_SAMPLE_FACTORS NA 200730_359-QC_54 Sample source:blood | Group:QC | Timepoint:NA Batch=B2; RAW_FILE_NAME(Raw file name nagavitive ion)=200730-NEG-359-QC_54.mzML; RAW_FILE_NAME(Raw file name positive ion)=200730-POS-359-QC_54.mzML; RAW_FILE_NAME(Raw file name nagavitive ion repeat1)=NA; RAW_FILE_NAME(Raw file name nagavitive ion repeat2)=NA SUBJECT_SAMPLE_FACTORS NA 200730_366-QC_55 Sample source:blood | Group:QC | Timepoint:NA Batch=B2; RAW_FILE_NAME(Raw file name nagavitive ion)=200730-NEG-366-QC_55.mzML; RAW_FILE_NAME(Raw file name positive ion)=200730-POS-366-QC_55.mzML; RAW_FILE_NAME(Raw file name nagavitive ion repeat1)=NA; RAW_FILE_NAME(Raw file name nagavitive ion repeat2)=NA SUBJECT_SAMPLE_FACTORS NA 200730_373-QC_56 Sample source:blood | Group:QC | Timepoint:NA Batch=B2; RAW_FILE_NAME(Raw file name nagavitive ion)=200730-NEG-373-QC_56.mzML; RAW_FILE_NAME(Raw file name positive ion)=200730-POS-373-QC_56.mzML; RAW_FILE_NAME(Raw file name nagavitive ion repeat1)=NA; RAW_FILE_NAME(Raw file name nagavitive ion repeat2)=NA SUBJECT_SAMPLE_FACTORS NA 200730_380-QC_57 Sample source:blood | Group:QC | Timepoint:NA Batch=B2; RAW_FILE_NAME(Raw file name nagavitive ion)=200730-NEG-380-QC_57.mzML; RAW_FILE_NAME(Raw file name positive ion)=200730-POS-380-QC_57.mzML; RAW_FILE_NAME(Raw file name nagavitive ion repeat1)=NA; RAW_FILE_NAME(Raw file name nagavitive ion repeat2)=NA SUBJECT_SAMPLE_FACTORS NA 200730_387-QC_58 Sample source:blood | Group:QC | Timepoint:NA Batch=B2; RAW_FILE_NAME(Raw file name nagavitive ion)=200730-NEG-387-QC_58.mzML; RAW_FILE_NAME(Raw file name positive ion)=200730-POS-387-QC_58.mzML; RAW_FILE_NAME(Raw file name nagavitive ion repeat1)=NA; RAW_FILE_NAME(Raw file name nagavitive ion repeat2)=NA SUBJECT_SAMPLE_FACTORS NA 200730_394-QC_59 Sample source:blood | Group:QC | Timepoint:NA Batch=B2; RAW_FILE_NAME(Raw file name nagavitive ion)=200730-NEG-394-QC_59.mzML; RAW_FILE_NAME(Raw file name positive ion)=200730-POS-394-QC_59.mzML; RAW_FILE_NAME(Raw file name nagavitive ion repeat1)=NA; RAW_FILE_NAME(Raw file name nagavitive ion repeat2)=NA SUBJECT_SAMPLE_FACTORS NA 200730_401-QC_60 Sample source:blood | Group:QC | Timepoint:NA Batch=B2; RAW_FILE_NAME(Raw file name nagavitive ion)=200730-NEG-401-QC_60.mzML; RAW_FILE_NAME(Raw file name positive ion)=200730-POS-401-QC_60.mzML; RAW_FILE_NAME(Raw file name nagavitive ion repeat1)=NA; RAW_FILE_NAME(Raw file name nagavitive ion repeat2)=NA SUBJECT_SAMPLE_FACTORS NA 200730_408-QC_61 Sample source:blood | Group:QC | Timepoint:NA Batch=B2; RAW_FILE_NAME(Raw file name nagavitive ion)=200730-NEG-408-QC_61.mzML; RAW_FILE_NAME(Raw file name positive ion)=200730-POS-408-QC_61.mzML; RAW_FILE_NAME(Raw file name nagavitive ion repeat1)=NA; RAW_FILE_NAME(Raw file name nagavitive ion repeat2)=NA SUBJECT_SAMPLE_FACTORS NA 200730_415-QC_62 Sample source:blood | Group:QC | Timepoint:NA Batch=B2; RAW_FILE_NAME(Raw file name nagavitive ion)=200730-NEG-415-QC_62.mzML; RAW_FILE_NAME(Raw file name positive ion)=200730-POS-415-QC_62.mzML; RAW_FILE_NAME(Raw file name nagavitive ion repeat1)=NA; RAW_FILE_NAME(Raw file name nagavitive ion repeat2)=NA SUBJECT_SAMPLE_FACTORS NA 200730_422-QC_63_D Sample source:blood | Group:QC | Timepoint:NA Batch=B2; RAW_FILE_NAME(Raw file name nagavitive ion)=200730-NEG-422-QC_63_D.mzML; RAW_FILE_NAME(Raw file name positive ion)=200730-POS-422-QC_63_D.mzML; RAW_FILE_NAME(Raw file name nagavitive ion repeat1)=NA; RAW_FILE_NAME(Raw file name nagavitive ion repeat2)=NA SUBJECT_SAMPLE_FACTORS NA 200730_430-QC_64 Sample source:blood | Group:QC | Timepoint:NA Batch=B2; RAW_FILE_NAME(Raw file name nagavitive ion)=200730-NEG-430-QC_64.mzML; RAW_FILE_NAME(Raw file name positive ion)=200730-POS-430-QC_64.mzML; RAW_FILE_NAME(Raw file name nagavitive ion repeat1)=NA; RAW_FILE_NAME(Raw file name nagavitive ion repeat2)=NA SUBJECT_SAMPLE_FACTORS NA 200807_439-QC_65 Sample source:blood | Group:QC | Timepoint:NA Batch=B3; RAW_FILE_NAME(Raw file name nagavitive ion)=200807-NEG-439-QC_65.mzML; RAW_FILE_NAME(Raw file name positive ion)=200807-POS-439-QC_65.mzML; RAW_FILE_NAME(Raw file name nagavitive ion repeat1)=NA; RAW_FILE_NAME(Raw file name nagavitive ion repeat2)=NA SUBJECT_SAMPLE_FACTORS NA 200807_440-QC_66 Sample source:blood | Group:QC | Timepoint:NA Batch=B3; RAW_FILE_NAME(Raw file name nagavitive ion)=200807-NEG-440-QC_66.mzML; RAW_FILE_NAME(Raw file name positive ion)=200807-POS-440-QC_66.mzML; RAW_FILE_NAME(Raw file name nagavitive ion repeat1)=NA; RAW_FILE_NAME(Raw file name nagavitive ion repeat2)=NA SUBJECT_SAMPLE_FACTORS NA 200807_441-QC_MSMS3 Sample source:blood | Group:QC | Timepoint:NA Batch=B3; RAW_FILE_NAME(Raw file name nagavitive ion)=200807-NEG-441-QC_MSMS3.mzML; RAW_FILE_NAME(Raw file name positive ion)=200807-POS-441-QC_MSMS3.mzML; RAW_FILE_NAME(Raw file name nagavitive ion repeat1)=NA; RAW_FILE_NAME(Raw file name nagavitive ion repeat2)=NA SUBJECT_SAMPLE_FACTORS NA 200807_442-QC_67 Sample source:blood | Group:QC | Timepoint:NA Batch=B3; RAW_FILE_NAME(Raw file name nagavitive ion)=200807-NEG-442-QC_67.mzML; RAW_FILE_NAME(Raw file name positive ion)=200807-POS-442-QC_67.mzML; RAW_FILE_NAME(Raw file name nagavitive ion repeat1)=NA; RAW_FILE_NAME(Raw file name nagavitive ion repeat2)=NA SUBJECT_SAMPLE_FACTORS NA 200807_449-QC_68 Sample source:blood | Group:QC | Timepoint:NA Batch=B3; RAW_FILE_NAME(Raw file name nagavitive ion)=200807-NEG-449-QC_68.mzML; RAW_FILE_NAME(Raw file name positive ion)=200807-POS-449-QC_68.mzML; RAW_FILE_NAME(Raw file name nagavitive ion repeat1)=NA; RAW_FILE_NAME(Raw file name nagavitive ion repeat2)=NA SUBJECT_SAMPLE_FACTORS NA 200807_456-QC_69 Sample source:blood | Group:QC | Timepoint:NA Batch=B3; RAW_FILE_NAME(Raw file name nagavitive ion)=200807-NEG-456-QC_69.mzML; RAW_FILE_NAME(Raw file name positive ion)=200807-POS-456-QC_69.mzML; RAW_FILE_NAME(Raw file name nagavitive ion repeat1)=NA; RAW_FILE_NAME(Raw file name nagavitive ion repeat2)=NA SUBJECT_SAMPLE_FACTORS NA 200807_463-QC_70 Sample source:blood | Group:QC | Timepoint:NA Batch=B3; RAW_FILE_NAME(Raw file name nagavitive ion)=200807-NEG-463-QC_70.mzML; RAW_FILE_NAME(Raw file name positive ion)=200807-POS-463-QC_70.mzML; RAW_FILE_NAME(Raw file name nagavitive ion repeat1)=NA; RAW_FILE_NAME(Raw file name nagavitive ion repeat2)=NA SUBJECT_SAMPLE_FACTORS NA 200807_470-QC_71 Sample source:blood | Group:QC | Timepoint:NA Batch=B3; RAW_FILE_NAME(Raw file name nagavitive ion)=200807-NEG-470-QC_71.mzML; RAW_FILE_NAME(Raw file name positive ion)=200807-POS-470-QC_71.mzML; RAW_FILE_NAME(Raw file name nagavitive ion repeat1)=NA; RAW_FILE_NAME(Raw file name nagavitive ion repeat2)=NA SUBJECT_SAMPLE_FACTORS NA 200807_477-QC_72 Sample source:blood | Group:QC | Timepoint:NA Batch=B3; RAW_FILE_NAME(Raw file name nagavitive ion)=200807-NEG-477-QC_72.mzML; RAW_FILE_NAME(Raw file name positive ion)=200807-POS-477-QC_72.mzML; RAW_FILE_NAME(Raw file name nagavitive ion repeat1)=NA; RAW_FILE_NAME(Raw file name nagavitive ion repeat2)=NA SUBJECT_SAMPLE_FACTORS NA 200807_484-QC_73 Sample source:blood | Group:QC | Timepoint:NA Batch=B3; RAW_FILE_NAME(Raw file name nagavitive ion)=200807-NEG-484-QC_73.mzML; RAW_FILE_NAME(Raw file name positive ion)=200807-POS-484-QC_73.mzML; RAW_FILE_NAME(Raw file name nagavitive ion repeat1)=NA; RAW_FILE_NAME(Raw file name nagavitive ion repeat2)=NA SUBJECT_SAMPLE_FACTORS NA 200807_491-QC_74 Sample source:blood | Group:QC | Timepoint:NA Batch=B3; RAW_FILE_NAME(Raw file name nagavitive ion)=200807-NEG-491-QC_74.mzML; RAW_FILE_NAME(Raw file name positive ion)=200807-POS-491-QC_74.mzML; RAW_FILE_NAME(Raw file name nagavitive ion repeat1)=NA; RAW_FILE_NAME(Raw file name nagavitive ion repeat2)=NA SUBJECT_SAMPLE_FACTORS NA 200807_498-QC_75 Sample source:blood | Group:QC | Timepoint:NA Batch=B3; RAW_FILE_NAME(Raw file name nagavitive ion)=200807-NEG-498-QC_75.mzML; RAW_FILE_NAME(Raw file name positive ion)=200807-POS-498-QC_75.mzML; RAW_FILE_NAME(Raw file name nagavitive ion repeat1)=NA; RAW_FILE_NAME(Raw file name nagavitive ion repeat2)=NA SUBJECT_SAMPLE_FACTORS NA 200807_505-QC_76 Sample source:blood | Group:QC | Timepoint:NA Batch=B3; RAW_FILE_NAME(Raw file name nagavitive ion)=200807-NEG-505-QC_76.mzML; RAW_FILE_NAME(Raw file name positive ion)=200807-POS-505-QC_76.mzML; RAW_FILE_NAME(Raw file name nagavitive ion repeat1)=NA; RAW_FILE_NAME(Raw file name nagavitive ion repeat2)=NA SUBJECT_SAMPLE_FACTORS NA 200807_512-QC_77 Sample source:blood | Group:QC | Timepoint:NA Batch=B3; RAW_FILE_NAME(Raw file name nagavitive ion)=200807-NEG-512-QC_77.mzML; RAW_FILE_NAME(Raw file name positive ion)=200807-POS-512-QC_77.mzML; RAW_FILE_NAME(Raw file name nagavitive ion repeat1)=NA; RAW_FILE_NAME(Raw file name nagavitive ion repeat2)=NA SUBJECT_SAMPLE_FACTORS NA 200807_519-QC_78 Sample source:blood | Group:QC | Timepoint:NA Batch=B3; RAW_FILE_NAME(Raw file name nagavitive ion)=200807-NEG-519-QC_78.mzML; RAW_FILE_NAME(Raw file name positive ion)=200807-POS-519-QC_78.mzML; RAW_FILE_NAME(Raw file name nagavitive ion repeat1)=NA; RAW_FILE_NAME(Raw file name nagavitive ion repeat2)=NA SUBJECT_SAMPLE_FACTORS NA 200807_526-QC_79 Sample source:blood | Group:QC | Timepoint:NA Batch=B3; RAW_FILE_NAME(Raw file name nagavitive ion)=200807-NEG-526-QC_79.mzML; RAW_FILE_NAME(Raw file name positive ion)=200807-POS-526-QC_79.mzML; RAW_FILE_NAME(Raw file name nagavitive ion repeat1)=NA; RAW_FILE_NAME(Raw file name nagavitive ion repeat2)=NA SUBJECT_SAMPLE_FACTORS NA 200807_533-QC_80 Sample source:blood | Group:QC | Timepoint:NA Batch=B3; RAW_FILE_NAME(Raw file name nagavitive ion)=200807-NEG-533-QC_80.mzML; RAW_FILE_NAME(Raw file name positive ion)=200807-POS-533-QC_80.mzML; RAW_FILE_NAME(Raw file name nagavitive ion repeat1)=NA; RAW_FILE_NAME(Raw file name nagavitive ion repeat2)=NA SUBJECT_SAMPLE_FACTORS NA 200807_540-QC_81 Sample source:blood | Group:QC | Timepoint:NA Batch=B3; RAW_FILE_NAME(Raw file name nagavitive ion)=200807-NEG-540-QC_81.mzML; RAW_FILE_NAME(Raw file name positive ion)=200807-POS-540-QC_81.mzML; RAW_FILE_NAME(Raw file name nagavitive ion repeat1)=NA; RAW_FILE_NAME(Raw file name nagavitive ion repeat2)=NA SUBJECT_SAMPLE_FACTORS NA 200807_547-QC_82 Sample source:blood | Group:QC | Timepoint:NA Batch=B3; RAW_FILE_NAME(Raw file name nagavitive ion)=200807-NEG-547-QC_82.mzML; RAW_FILE_NAME(Raw file name positive ion)=200807-POS-547-QC_82.mzML; RAW_FILE_NAME(Raw file name nagavitive ion repeat1)=NA; RAW_FILE_NAME(Raw file name nagavitive ion repeat2)=NA SUBJECT_SAMPLE_FACTORS NA 200807_554-QC_83 Sample source:blood | Group:QC | Timepoint:NA Batch=B3; RAW_FILE_NAME(Raw file name nagavitive ion)=200807-NEG-554-QC_83.mzML; RAW_FILE_NAME(Raw file name positive ion)=200807-POS-554-QC_83.mzML; RAW_FILE_NAME(Raw file name nagavitive ion repeat1)=NA; RAW_FILE_NAME(Raw file name nagavitive ion repeat2)=NA SUBJECT_SAMPLE_FACTORS NA 200807_561-QC_84 Sample source:blood | Group:QC | Timepoint:NA Batch=B3; RAW_FILE_NAME(Raw file name nagavitive ion)=200807-NEG-561-QC_84.mzML; RAW_FILE_NAME(Raw file name positive ion)=200807-POS-561-QC_84.mzML; RAW_FILE_NAME(Raw file name nagavitive ion repeat1)=NA; RAW_FILE_NAME(Raw file name nagavitive ion repeat2)=NA SUBJECT_SAMPLE_FACTORS NA 200807_568-QC_85 Sample source:blood | Group:QC | Timepoint:NA Batch=B3; RAW_FILE_NAME(Raw file name nagavitive ion)=200807-NEG-568-QC_85.mzML; RAW_FILE_NAME(Raw file name positive ion)=200807-POS-568-QC_85.mzML; RAW_FILE_NAME(Raw file name nagavitive ion repeat1)=NA; RAW_FILE_NAME(Raw file name nagavitive ion repeat2)=NA SUBJECT_SAMPLE_FACTORS NA 200807_575-QC_86 Sample source:blood | Group:QC | Timepoint:NA Batch=B3; RAW_FILE_NAME(Raw file name nagavitive ion)=200807-NEG-575-QC_86.mzML; RAW_FILE_NAME(Raw file name positive ion)=200807-POS-575-QC_86.mzML; RAW_FILE_NAME(Raw file name nagavitive ion repeat1)=NA; RAW_FILE_NAME(Raw file name nagavitive ion repeat2)=NA SUBJECT_SAMPLE_FACTORS NA 200807_581-QC_87_D Sample source:blood | Group:QC | Timepoint:NA Batch=B3; RAW_FILE_NAME(Raw file name nagavitive ion)=200807-NEG-581-QC_87_D.mzML; RAW_FILE_NAME(Raw file name positive ion)=200807-POS-581-QC_87_D.mzML; RAW_FILE_NAME(Raw file name nagavitive ion repeat1)=NA; RAW_FILE_NAME(Raw file name nagavitive ion repeat2)=NA SUBJECT_SAMPLE_FACTORS NA 200807_589-QC_88 Sample source:blood | Group:QC | Timepoint:NA Batch=B3; RAW_FILE_NAME(Raw file name nagavitive ion)=200807-NEG-589-QC_88.mzML; RAW_FILE_NAME(Raw file name positive ion)=200807-POS-589-QC_88.mzML; RAW_FILE_NAME(Raw file name nagavitive ion repeat1)=NA; RAW_FILE_NAME(Raw file name nagavitive ion repeat2)=NA SUBJECT_SAMPLE_FACTORS S056 CS12927 Sample source:blood | Group:Sepsis | Timepoint:-1 Batch=B2; RAW_FILE_NAME(Raw file name nagavitive ion)=200730-NEG-365-CS12927.mzML; RAW_FILE_NAME(Raw file name positive ion)=200730-POS-365-CS12927.mzML; RAW_FILE_NAME(Raw file name nagavitive ion repeat1)=NA; RAW_FILE_NAME(Raw file name nagavitive ion repeat2)=NA SUBJECT_SAMPLE_FACTORS S035 CS12939 Sample source:blood | Group:Sepsis | Timepoint:-1 Batch=B1; RAW_FILE_NAME(Raw file name nagavitive ion)=200724-NEG-096-CS12939.mzML; RAW_FILE_NAME(Raw file name positive ion)=200724-POS-096-CS12939.mzML; RAW_FILE_NAME(Raw file name nagavitive ion repeat1)=NA; RAW_FILE_NAME(Raw file name nagavitive ion repeat2)=NA SUBJECT_SAMPLE_FACTORS S036 CS12942 Sample source:blood | Group:Sepsis | Timepoint:-1 Batch=B2; RAW_FILE_NAME(Raw file name nagavitive ion)=200730-NEG-306-CS12942.mzML; RAW_FILE_NAME(Raw file name positive ion)=200730-POS-306-CS12942.mzML; RAW_FILE_NAME(Raw file name nagavitive ion repeat1)=NA; RAW_FILE_NAME(Raw file name nagavitive ion repeat2)=NA SUBJECT_SAMPLE_FACTORS S063 CS12960 Sample source:blood | Group:Sepsis | Timepoint:-1 Batch=B2; RAW_FILE_NAME(Raw file name nagavitive ion)=200730-NEG-238-CS12960.mzML; RAW_FILE_NAME(Raw file name positive ion)=200730-POS-238-CS12960.mzML; RAW_FILE_NAME(Raw file name nagavitive ion repeat1)=NA; RAW_FILE_NAME(Raw file name nagavitive ion repeat2)=NA SUBJECT_SAMPLE_FACTORS S065 CS12963 Sample source:blood | Group:Sepsis | Timepoint:-1 Batch=B1; RAW_FILE_NAME(Raw file name nagavitive ion)=200724-NEG-044-CS12963.mzML; RAW_FILE_NAME(Raw file name positive ion)=200724-POS-044-CS12963.mzML; RAW_FILE_NAME(Raw file name nagavitive ion repeat1)=NA; RAW_FILE_NAME(Raw file name nagavitive ion repeat2)=NA SUBJECT_SAMPLE_FACTORS S077 CS12966 Sample source:blood | Group:Sepsis | Timepoint:-1 Batch=B2; RAW_FILE_NAME(Raw file name nagavitive ion)=200730-NEG-307-CS12966.mzML; RAW_FILE_NAME(Raw file name positive ion)=200730-POS-307-CS12966.mzML; RAW_FILE_NAME(Raw file name nagavitive ion repeat1)=NA; RAW_FILE_NAME(Raw file name nagavitive ion repeat2)=NA SUBJECT_SAMPLE_FACTORS S083 CS12969 Sample source:blood | Group:Sepsis | Timepoint:-1 Batch=B3; RAW_FILE_NAME(Raw file name nagavitive ion)=200807-NEG-461-CS12969.mzML; RAW_FILE_NAME(Raw file name positive ion)=200807-POS-461-CS12969.mzML; RAW_FILE_NAME(Raw file name nagavitive ion repeat1)=NA; RAW_FILE_NAME(Raw file name nagavitive ion repeat2)=NA SUBJECT_SAMPLE_FACTORS S084 CS12972 Sample source:blood | Group:Sepsis | Timepoint:-1 Batch=B1; RAW_FILE_NAME(Raw file name nagavitive ion)=200724-NEG-067-CS12972.mzML; RAW_FILE_NAME(Raw file name positive ion)=200724-POS-067-CS12972.mzML; RAW_FILE_NAME(Raw file name nagavitive ion repeat1)=NA; RAW_FILE_NAME(Raw file name nagavitive ion repeat2)=NA SUBJECT_SAMPLE_FACTORS S055 CS12984 Sample source:blood | Group:Sepsis | Timepoint:-1 Batch=B1; RAW_FILE_NAME(Raw file name nagavitive ion)=200724-NEG-175-CS12984.mzML; RAW_FILE_NAME(Raw file name positive ion)=200724-POS-175-CS12984.mzML; RAW_FILE_NAME(Raw file name nagavitive ion repeat1)=NA; RAW_FILE_NAME(Raw file name nagavitive ion repeat2)=NA SUBJECT_SAMPLE_FACTORS S087 CS12992 Sample source:blood | Group:Sepsis | Timepoint:-1 Batch=B2; RAW_FILE_NAME(Raw file name nagavitive ion)=200730-NEG-402-CS12992.mzML; RAW_FILE_NAME(Raw file name positive ion)=200730-POS-402-CS12992.mzML; RAW_FILE_NAME(Raw file name nagavitive ion repeat1)=NA; RAW_FILE_NAME(Raw file name nagavitive ion repeat2)=NA SUBJECT_SAMPLE_FACTORS S245 CS13028 Sample source:blood | Group:Sepsis | Timepoint:-1 Batch=B1; RAW_FILE_NAME(Raw file name nagavitive ion)=200724-NEG-124-CS13028.mzML; RAW_FILE_NAME(Raw file name positive ion)=200724-POS-124-CS13028.mzML; RAW_FILE_NAME(Raw file name nagavitive ion repeat1)=NA; RAW_FILE_NAME(Raw file name nagavitive ion repeat2)=NA SUBJECT_SAMPLE_FACTORS S246 CS13031 Sample source:blood | Group:Sepsis | Timepoint:-1 Batch=B1; RAW_FILE_NAME(Raw file name nagavitive ion)=200724-NEG-110-CS13031.mzML; RAW_FILE_NAME(Raw file name positive ion)=200724-POS-110-CS13031.mzML; RAW_FILE_NAME(Raw file name nagavitive ion repeat1)=NA; RAW_FILE_NAME(Raw file name nagavitive ion repeat2)=NA SUBJECT_SAMPLE_FACTORS S250 CS13036 Sample source:blood | Group:Sepsis | Timepoint:-1 Batch=B1; RAW_FILE_NAME(Raw file name nagavitive ion)=200724-NEG-154-CS13036.mzML; RAW_FILE_NAME(Raw file name positive ion)=200724-POS-154-CS13036.mzML; RAW_FILE_NAME(Raw file name nagavitive ion repeat1)=NA; RAW_FILE_NAME(Raw file name nagavitive ion repeat2)=NA SUBJECT_SAMPLE_FACTORS S260 CS13039 Sample source:blood | Group:Sepsis | Timepoint:-1 Batch=B2; RAW_FILE_NAME(Raw file name nagavitive ion)=200730-NEG-341-CS13039.mzML; RAW_FILE_NAME(Raw file name positive ion)=200730-POS-341-CS13039.mzML; RAW_FILE_NAME(Raw file name nagavitive ion repeat1)=NA; RAW_FILE_NAME(Raw file name nagavitive ion repeat2)=NA SUBJECT_SAMPLE_FACTORS S261 CS13042 Sample source:blood | Group:Sepsis | Timepoint:-1 Batch=B1; RAW_FILE_NAME(Raw file name nagavitive ion)=200724-NEG-040-CS13042.mzML; RAW_FILE_NAME(Raw file name positive ion)=200724-POS-040-CS13042.mzML; RAW_FILE_NAME(Raw file name nagavitive ion repeat1)=NA; RAW_FILE_NAME(Raw file name nagavitive ion repeat2)=NA SUBJECT_SAMPLE_FACTORS S262 CS13045 Sample source:blood | Group:Sepsis | Timepoint:-1 Batch=B3; RAW_FILE_NAME(Raw file name nagavitive ion)=200807-NEG-468-CS13045.mzML; RAW_FILE_NAME(Raw file name positive ion)=200807-POS-468-CS13045.mzML; RAW_FILE_NAME(Raw file name nagavitive ion repeat1)=NA; RAW_FILE_NAME(Raw file name nagavitive ion repeat2)=NA SUBJECT_SAMPLE_FACTORS S264 CS13051 Sample source:blood | Group:Sepsis | Timepoint:-1 Batch=B2; RAW_FILE_NAME(Raw file name nagavitive ion)=200730-NEG-253-CS13051.mzML; RAW_FILE_NAME(Raw file name positive ion)=200730-POS-253-CS13051.mzML; RAW_FILE_NAME(Raw file name nagavitive ion repeat1)=NA; RAW_FILE_NAME(Raw file name nagavitive ion repeat2)=NA SUBJECT_SAMPLE_FACTORS S238 CS13056 Sample source:blood | Group:Sepsis | Timepoint:-1 Batch=B3; RAW_FILE_NAME(Raw file name nagavitive ion)=200807-NEG-475-CS13056.mzML; RAW_FILE_NAME(Raw file name positive ion)=200807-POS-475-CS13056.mzML; RAW_FILE_NAME(Raw file name nagavitive ion repeat1)=NA; RAW_FILE_NAME(Raw file name nagavitive ion repeat2)=NA SUBJECT_SAMPLE_FACTORS S278 CS13065 Sample source:blood | Group:Sepsis | Timepoint:-1 Batch=B1; RAW_FILE_NAME(Raw file name nagavitive ion)=200724-NEG-057-CS13065.mzML; RAW_FILE_NAME(Raw file name positive ion)=200724-POS-057-CS13065.mzML; RAW_FILE_NAME(Raw file name nagavitive ion repeat1)=NA; RAW_FILE_NAME(Raw file name nagavitive ion repeat2)=NA SUBJECT_SAMPLE_FACTORS S292 CS13071 Sample source:blood | Group:Sepsis | Timepoint:-1 Batch=B2; RAW_FILE_NAME(Raw file name nagavitive ion)=200730-NEG-269-CS13071.mzML; RAW_FILE_NAME(Raw file name positive ion)=200730-POS-269-CS13071.mzML; RAW_FILE_NAME(Raw file name nagavitive ion repeat1)=NA; RAW_FILE_NAME(Raw file name nagavitive ion repeat2)=NA SUBJECT_SAMPLE_FACTORS S257 CS13080 Sample source:blood | Group:Sepsis | Timepoint:-1 Batch=B2; RAW_FILE_NAME(Raw file name nagavitive ion)=200730-NEG-421-CS13080.mzML; RAW_FILE_NAME(Raw file name positive ion)=200730-POS-421-CS13080.mzML; RAW_FILE_NAME(Raw file name nagavitive ion repeat1)=NA; RAW_FILE_NAME(Raw file name nagavitive ion repeat2)=NA SUBJECT_SAMPLE_FACTORS S034 CS13161 Sample source:blood | Group:Sepsis | Timepoint:-1 Batch=B1; RAW_FILE_NAME(Raw file name nagavitive ion)=200724-NEG-193-CS13161.mzML; RAW_FILE_NAME(Raw file name positive ion)=200724-POS-193-CS13161.mzML; RAW_FILE_NAME(Raw file name nagavitive ion repeat1)=NA; RAW_FILE_NAME(Raw file name nagavitive ion repeat2)=NA SUBJECT_SAMPLE_FACTORS S144 CS13197 Sample source:blood | Group:Sepsis | Timepoint:-1 Batch=B2; RAW_FILE_NAME(Raw file name nagavitive ion)=200730-NEG-348-CS13197.mzML; RAW_FILE_NAME(Raw file name positive ion)=200730-POS-348-CS13197.mzML; RAW_FILE_NAME(Raw file name nagavitive ion repeat1)=NA; RAW_FILE_NAME(Raw file name nagavitive ion repeat2)=NA SUBJECT_SAMPLE_FACTORS S155 CS13203 Sample source:blood | Group:Sepsis | Timepoint:-1 Batch=B3; RAW_FILE_NAME(Raw file name nagavitive ion)=200807-NEG-567-CS13203.mzML; RAW_FILE_NAME(Raw file name positive ion)=200807-POS-567-CS13203.mzML; RAW_FILE_NAME(Raw file name nagavitive ion repeat1)=NA; RAW_FILE_NAME(Raw file name nagavitive ion repeat2)=NA SUBJECT_SAMPLE_FACTORS S140 CS13209 Sample source:blood | Group:Sepsis | Timepoint:-1 Batch=B1; RAW_FILE_NAME(Raw file name nagavitive ion)=200724-NEG-205-CS13209.mzML; RAW_FILE_NAME(Raw file name positive ion)=200724-POS-205-CS13209.mzML; RAW_FILE_NAME(Raw file name nagavitive ion repeat1)=NA; RAW_FILE_NAME(Raw file name nagavitive ion repeat2)=NA SUBJECT_SAMPLE_FACTORS S141 CS13212 Sample source:blood | Group:Sepsis | Timepoint:-1 Batch=B2; RAW_FILE_NAME(Raw file name nagavitive ion)=200730-NEG-334-CS13212.mzML; RAW_FILE_NAME(Raw file name positive ion)=200730-POS-334-CS13212.mzML; RAW_FILE_NAME(Raw file name nagavitive ion repeat1)=NA; RAW_FILE_NAME(Raw file name nagavitive ion repeat2)=NA SUBJECT_SAMPLE_FACTORS S149 CS13242 Sample source:blood | Group:Sepsis | Timepoint:-1 Batch=B2; RAW_FILE_NAME(Raw file name nagavitive ion)=200730-NEG-280-CS13242.mzML; RAW_FILE_NAME(Raw file name positive ion)=200730-POS-280-CS13242.mzML; RAW_FILE_NAME(Raw file name nagavitive ion repeat1)=NA; RAW_FILE_NAME(Raw file name nagavitive ion repeat2)=NA SUBJECT_SAMPLE_FACTORS S179 CS13248 Sample source:blood | Group:Sepsis | Timepoint:-1 Batch=B2; RAW_FILE_NAME(Raw file name nagavitive ion)=200730-NEG-411-CS13248.mzML; RAW_FILE_NAME(Raw file name positive ion)=200730-POS-411-CS13248.mzML; RAW_FILE_NAME(Raw file name nagavitive ion repeat1)=NA; RAW_FILE_NAME(Raw file name nagavitive ion repeat2)=NA SUBJECT_SAMPLE_FACTORS S207 CS13269 Sample source:blood | Group:Sepsis | Timepoint:-1 Batch=B3; RAW_FILE_NAME(Raw file name nagavitive ion)=200807-NEG-550-CS13269.mzML; RAW_FILE_NAME(Raw file name positive ion)=200807-POS-550-CS13269.mzML; RAW_FILE_NAME(Raw file name nagavitive ion repeat1)=NA; RAW_FILE_NAME(Raw file name nagavitive ion repeat2)=NA SUBJECT_SAMPLE_FACTORS S214 CS13275 Sample source:blood | Group:Sepsis | Timepoint:-1 Batch=B3; RAW_FILE_NAME(Raw file name nagavitive ion)=200807-NEG-485-CS13275.mzML; RAW_FILE_NAME(Raw file name positive ion)=200807-POS-485-CS13275.mzML; RAW_FILE_NAME(Raw file name nagavitive ion repeat1)=NA; RAW_FILE_NAME(Raw file name nagavitive ion repeat2)=NA SUBJECT_SAMPLE_FACTORS S215 CS13278 Sample source:blood | Group:Sepsis | Timepoint:-1 Batch=B2; RAW_FILE_NAME(Raw file name nagavitive ion)=200730-NEG-336-CS13278.mzML; RAW_FILE_NAME(Raw file name positive ion)=200730-POS-336-CS13278.mzML; RAW_FILE_NAME(Raw file name nagavitive ion repeat1)=NA; RAW_FILE_NAME(Raw file name nagavitive ion repeat2)=NA SUBJECT_SAMPLE_FACTORS S217 CS13284 Sample source:blood | Group:Sepsis | Timepoint:-1 Batch=B1; RAW_FILE_NAME(Raw file name nagavitive ion)=200724-NEG-141-CS13284.mzML; RAW_FILE_NAME(Raw file name positive ion)=200724-POS-141-CS13284.mzML; RAW_FILE_NAME(Raw file name nagavitive ion repeat1)=NA; RAW_FILE_NAME(Raw file name nagavitive ion repeat2)=NA SUBJECT_SAMPLE_FACTORS S230 CS13290 Sample source:blood | Group:Sepsis | Timepoint:-1 Batch=B1; RAW_FILE_NAME(Raw file name nagavitive ion)=200724-NEG-189-CS13290.mzML; RAW_FILE_NAME(Raw file name positive ion)=200724-POS-189-CS13290.mzML; RAW_FILE_NAME(Raw file name nagavitive ion repeat1)=NA; RAW_FILE_NAME(Raw file name nagavitive ion repeat2)=NA SUBJECT_SAMPLE_FACTORS S118 CS13299 Sample source:blood | Group:Sepsis | Timepoint:-1 Batch=B3; RAW_FILE_NAME(Raw file name nagavitive ion)=200807-NEG-576-CS13299.mzML; RAW_FILE_NAME(Raw file name positive ion)=200807-POS-576-CS13299.mzML; RAW_FILE_NAME(Raw file name nagavitive ion repeat1)=NA; RAW_FILE_NAME(Raw file name nagavitive ion repeat2)=NA SUBJECT_SAMPLE_FACTORS S044 CS13302 Sample source:blood | Group:Sepsis | Timepoint:-1 Batch=B2; RAW_FILE_NAME(Raw file name nagavitive ion)=200730-NEG-258-CS13302.mzML; RAW_FILE_NAME(Raw file name positive ion)=200730-POS-258-CS13302.mzML; RAW_FILE_NAME(Raw file name nagavitive ion repeat1)=NA; RAW_FILE_NAME(Raw file name nagavitive ion repeat2)=NA SUBJECT_SAMPLE_FACTORS S048 CS13305 Sample source:blood | Group:Sepsis | Timepoint:-1 Batch=B3; RAW_FILE_NAME(Raw file name nagavitive ion)=200807-NEG-446-CS13305.mzML; RAW_FILE_NAME(Raw file name positive ion)=200807-POS-446-CS13305.mzML; RAW_FILE_NAME(Raw file name nagavitive ion repeat1)=NA; RAW_FILE_NAME(Raw file name nagavitive ion repeat2)=NA SUBJECT_SAMPLE_FACTORS S082 CS13314 Sample source:blood | Group:Sepsis | Timepoint:-1 Batch=B1; RAW_FILE_NAME(Raw file name nagavitive ion)=200724-NEG-098-CS13314.mzML; RAW_FILE_NAME(Raw file name positive ion)=200724-POS-098-CS13314.mzML; RAW_FILE_NAME(Raw file name nagavitive ion repeat1)=NA; RAW_FILE_NAME(Raw file name nagavitive ion repeat2)=NA SUBJECT_SAMPLE_FACTORS S093 CS13332 Sample source:blood | Group:Sepsis | Timepoint:-1 Batch=B2; RAW_FILE_NAME(Raw file name nagavitive ion)=200730-NEG-231-CS13332.mzML; RAW_FILE_NAME(Raw file name positive ion)=200730-POS-231-CS13332.mzML; RAW_FILE_NAME(Raw file name nagavitive ion repeat1)=NA; RAW_FILE_NAME(Raw file name nagavitive ion repeat2)=NA SUBJECT_SAMPLE_FACTORS S094 CS13344 Sample source:blood | Group:Sepsis | Timepoint:-1 Batch=B2; RAW_FILE_NAME(Raw file name nagavitive ion)=200730-NEG-302-CS13344.mzML; RAW_FILE_NAME(Raw file name positive ion)=200730-POS-302-CS13344.mzML; RAW_FILE_NAME(Raw file name nagavitive ion repeat1)=NA; RAW_FILE_NAME(Raw file name nagavitive ion repeat2)=NA SUBJECT_SAMPLE_FACTORS S056 CS12926 Sample source:blood | Group:Sepsis | Timepoint:-3 Batch=B2; RAW_FILE_NAME(Raw file name nagavitive ion)=200730-NEG-363-CS12926.mzML; RAW_FILE_NAME(Raw file name positive ion)=200730-POS-363-CS12926.mzML; RAW_FILE_NAME(Raw file name nagavitive ion repeat1)=NA; RAW_FILE_NAME(Raw file name nagavitive ion repeat2)=NA SUBJECT_SAMPLE_FACTORS S035 CS12938 Sample source:blood | Group:Sepsis | Timepoint:-3 Batch=B1; RAW_FILE_NAME(Raw file name nagavitive ion)=200724-NEG-095-CS12938.mzML; RAW_FILE_NAME(Raw file name positive ion)=200724-POS-095-CS12938.mzML; RAW_FILE_NAME(Raw file name nagavitive ion repeat1)=NA; RAW_FILE_NAME(Raw file name nagavitive ion repeat2)=NA SUBJECT_SAMPLE_FACTORS S036 CS12941 Sample source:blood | Group:Sepsis | Timepoint:-3 Batch=B2; RAW_FILE_NAME(Raw file name nagavitive ion)=200730-NEG-304-CS12941.mzML; RAW_FILE_NAME(Raw file name positive ion)=200730-POS-304-CS12941.mzML; RAW_FILE_NAME(Raw file name nagavitive ion repeat1)=NA; RAW_FILE_NAME(Raw file name nagavitive ion repeat2)=NA SUBJECT_SAMPLE_FACTORS S063 CS12959 Sample source:blood | Group:Sepsis | Timepoint:-3 Batch=B2; RAW_FILE_NAME(Raw file name nagavitive ion)=200730-NEG-239-CS12959.mzML; RAW_FILE_NAME(Raw file name positive ion)=200730-POS-239-CS12959.mzML; RAW_FILE_NAME(Raw file name nagavitive ion repeat1)=NA; RAW_FILE_NAME(Raw file name nagavitive ion repeat2)=NA SUBJECT_SAMPLE_FACTORS S065 CS12962 Sample source:blood | Group:Sepsis | Timepoint:-3 Batch=B1; RAW_FILE_NAME(Raw file name nagavitive ion)=200724-NEG-042-CS12962.mzML; RAW_FILE_NAME(Raw file name positive ion)=200724-POS-042-CS12962.mzML; RAW_FILE_NAME(Raw file name nagavitive ion repeat1)=NA; RAW_FILE_NAME(Raw file name nagavitive ion repeat2)=NA SUBJECT_SAMPLE_FACTORS S077 CS12965 Sample source:blood | Group:Sepsis | Timepoint:-3 Batch=B2; RAW_FILE_NAME(Raw file name nagavitive ion)=200730-NEG-308-CS12965.mzML; RAW_FILE_NAME(Raw file name positive ion)=200730-POS-308-CS12965.mzML; RAW_FILE_NAME(Raw file name nagavitive ion repeat1)=NA; RAW_FILE_NAME(Raw file name nagavitive ion repeat2)=NA SUBJECT_SAMPLE_FACTORS S083 CS12968 Sample source:blood | Group:Sepsis | Timepoint:-3 Batch=B3; RAW_FILE_NAME(Raw file name nagavitive ion)=200807-NEG-462-CS12968.mzML; RAW_FILE_NAME(Raw file name positive ion)=200807-POS-462-CS12968.mzML; RAW_FILE_NAME(Raw file name nagavitive ion repeat1)=NA; RAW_FILE_NAME(Raw file name nagavitive ion repeat2)=NA SUBJECT_SAMPLE_FACTORS S084 CS12971 Sample source:blood | Group:Sepsis | Timepoint:-3 Batch=B1; RAW_FILE_NAME(Raw file name nagavitive ion)=200724-NEG-069-CS12971.mzML; RAW_FILE_NAME(Raw file name positive ion)=200724-POS-069-CS12971.mzML; RAW_FILE_NAME(Raw file name nagavitive ion repeat1)=NA; RAW_FILE_NAME(Raw file name nagavitive ion repeat2)=NA SUBJECT_SAMPLE_FACTORS S055 CS12983 Sample source:blood | Group:Sepsis | Timepoint:-3 Batch=B1; RAW_FILE_NAME(Raw file name nagavitive ion)=200724-NEG-176-CS12983.mzML; RAW_FILE_NAME(Raw file name positive ion)=200724-POS-176-CS12983.mzML; RAW_FILE_NAME(Raw file name nagavitive ion repeat1)=NA; RAW_FILE_NAME(Raw file name nagavitive ion repeat2)=NA SUBJECT_SAMPLE_FACTORS S087 CS12991 Sample source:blood | Group:Sepsis | Timepoint:-3 Batch=B2; RAW_FILE_NAME(Raw file name nagavitive ion)=200730-NEG-404-CS12991.mzML; RAW_FILE_NAME(Raw file name positive ion)=200730-POS-404-CS12991.mzML; RAW_FILE_NAME(Raw file name nagavitive ion repeat1)=NA; RAW_FILE_NAME(Raw file name nagavitive ion repeat2)=NA SUBJECT_SAMPLE_FACTORS S245 CS13027 Sample source:blood | Group:Sepsis | Timepoint:-3 Batch=B1; RAW_FILE_NAME(Raw file name nagavitive ion)=200724-NEG-123-CS13027.mzML; RAW_FILE_NAME(Raw file name positive ion)=200724-POS-123-CS13027.mzML; RAW_FILE_NAME(Raw file name nagavitive ion repeat1)=NA; RAW_FILE_NAME(Raw file name nagavitive ion repeat2)=NA SUBJECT_SAMPLE_FACTORS S246 CS13030 Sample source:blood | Group:Sepsis | Timepoint:-3 Batch=B1; RAW_FILE_NAME(Raw file name nagavitive ion)=200724-NEG-109-CS13030.mzML; RAW_FILE_NAME(Raw file name positive ion)=200724-POS-109-CS13030.mzML; RAW_FILE_NAME(Raw file name nagavitive ion repeat1)=NA; RAW_FILE_NAME(Raw file name nagavitive ion repeat2)=NA SUBJECT_SAMPLE_FACTORS S250 CS13035 Sample source:blood | Group:Sepsis | Timepoint:-3 Batch=B1; RAW_FILE_NAME(Raw file name nagavitive ion)=200724-NEG-156-CS13035.mzML; RAW_FILE_NAME(Raw file name positive ion)=200724-POS-156-CS13035.mzML; RAW_FILE_NAME(Raw file name nagavitive ion repeat1)=NA; RAW_FILE_NAME(Raw file name nagavitive ion repeat2)=NA SUBJECT_SAMPLE_FACTORS S260 CS13038 Sample source:blood | Group:Sepsis | Timepoint:-3 Batch=B2; RAW_FILE_NAME(Raw file name nagavitive ion)=200730-NEG-340-CS13038.mzML; RAW_FILE_NAME(Raw file name positive ion)=200730-POS-340-CS13038.mzML; RAW_FILE_NAME(Raw file name nagavitive ion repeat1)=NA; RAW_FILE_NAME(Raw file name nagavitive ion repeat2)=NA SUBJECT_SAMPLE_FACTORS S261 CS13041 Sample source:blood | Group:Sepsis | Timepoint:-3 Batch=B1; RAW_FILE_NAME(Raw file name nagavitive ion)=200724-NEG-041-CS13041.mzML; RAW_FILE_NAME(Raw file name positive ion)=200724-POS-041-CS13041.mzML; RAW_FILE_NAME(Raw file name nagavitive ion repeat1)=NA; RAW_FILE_NAME(Raw file name nagavitive ion repeat2)=NA SUBJECT_SAMPLE_FACTORS S262 CS13044 Sample source:blood | Group:Sepsis | Timepoint:-3 Batch=B3; RAW_FILE_NAME(Raw file name nagavitive ion)=200807-NEG-469-CS13044.mzML; RAW_FILE_NAME(Raw file name positive ion)=200807-POS-469-CS13044.mzML; RAW_FILE_NAME(Raw file name nagavitive ion repeat1)=NA; RAW_FILE_NAME(Raw file name nagavitive ion repeat2)=NA SUBJECT_SAMPLE_FACTORS S264 CS13050 Sample source:blood | Group:Sepsis | Timepoint:-3 Batch=B2; RAW_FILE_NAME(Raw file name nagavitive ion)=200730-NEG-251-CS13050.mzML; RAW_FILE_NAME(Raw file name positive ion)=200730-POS-251-CS13050.mzML; RAW_FILE_NAME(Raw file name nagavitive ion repeat1)=NA; RAW_FILE_NAME(Raw file name nagavitive ion repeat2)=NA SUBJECT_SAMPLE_FACTORS S238 CS13055 Sample source:blood | Group:Sepsis | Timepoint:-3 Batch=B3; RAW_FILE_NAME(Raw file name nagavitive ion)=200807-NEG-474-CS13055.mzML; RAW_FILE_NAME(Raw file name positive ion)=200807-POS-474-CS13055.mzML; RAW_FILE_NAME(Raw file name nagavitive ion repeat1)=NA; RAW_FILE_NAME(Raw file name nagavitive ion repeat2)=NA SUBJECT_SAMPLE_FACTORS S278 CS13064 Sample source:blood | Group:Sepsis | Timepoint:-3 Batch=B1; RAW_FILE_NAME(Raw file name nagavitive ion)=200724-NEG-058-CS13064.mzML; RAW_FILE_NAME(Raw file name positive ion)=200724-POS-058-CS13064.mzML; RAW_FILE_NAME(Raw file name nagavitive ion repeat1)=NA; RAW_FILE_NAME(Raw file name nagavitive ion repeat2)=NA SUBJECT_SAMPLE_FACTORS S292 CS13070 Sample source:blood | Group:Sepsis | Timepoint:-3 Batch=B2; RAW_FILE_NAME(Raw file name nagavitive ion)=200730-NEG-271-CS13070.mzML; RAW_FILE_NAME(Raw file name positive ion)=200730-POS-271-CS13070.mzML; RAW_FILE_NAME(Raw file name nagavitive ion repeat1)=NA; RAW_FILE_NAME(Raw file name nagavitive ion repeat2)=NA SUBJECT_SAMPLE_FACTORS S257 CS13079 Sample source:blood | Group:Sepsis | Timepoint:-3 Batch=B2; RAW_FILE_NAME(Raw file name nagavitive ion)=200730-NEG-420-CS13079.mzML; RAW_FILE_NAME(Raw file name positive ion)=200730-POS-420-CS13079.mzML; RAW_FILE_NAME(Raw file name nagavitive ion repeat1)=NA; RAW_FILE_NAME(Raw file name nagavitive ion repeat2)=NA SUBJECT_SAMPLE_FACTORS S034 CS13160 Sample source:blood | Group:Sepsis | Timepoint:-3 Batch=B1; RAW_FILE_NAME(Raw file name nagavitive ion)=200724-NEG-195-CS13160.mzML; RAW_FILE_NAME(Raw file name positive ion)=200724-POS-195-CS13160.mzML; RAW_FILE_NAME(Raw file name nagavitive ion repeat1)=NA; RAW_FILE_NAME(Raw file name nagavitive ion repeat2)=NA SUBJECT_SAMPLE_FACTORS S144 CS13196 Sample source:blood | Group:Sepsis | Timepoint:-3 Batch=B2; RAW_FILE_NAME(Raw file name nagavitive ion)=200730-NEG-346-CS13196.mzML; RAW_FILE_NAME(Raw file name positive ion)=200730-POS-346-CS13196.mzML; RAW_FILE_NAME(Raw file name nagavitive ion repeat1)=NA; RAW_FILE_NAME(Raw file name nagavitive ion repeat2)=NA SUBJECT_SAMPLE_FACTORS S155 CS13202 Sample source:blood | Group:Sepsis | Timepoint:-3 Batch=B3; RAW_FILE_NAME(Raw file name nagavitive ion)=200807-NEG-565-CS13202.mzML; RAW_FILE_NAME(Raw file name positive ion)=200807-POS-565-CS13202.mzML; RAW_FILE_NAME(Raw file name nagavitive ion repeat1)=NA; RAW_FILE_NAME(Raw file name nagavitive ion repeat2)=NA SUBJECT_SAMPLE_FACTORS S140 CS13208 Sample source:blood | Group:Sepsis | Timepoint:-3 Batch=B1; RAW_FILE_NAME(Raw file name nagavitive ion)=200724-NEG-203-CS13208.mzML; RAW_FILE_NAME(Raw file name positive ion)=200724-POS-203-CS13208.mzML; RAW_FILE_NAME(Raw file name nagavitive ion repeat1)=NA; RAW_FILE_NAME(Raw file name nagavitive ion repeat2)=NA SUBJECT_SAMPLE_FACTORS S141 CS13211 Sample source:blood | Group:Sepsis | Timepoint:-3 Batch=B2; RAW_FILE_NAME(Raw file name nagavitive ion)=200730-NEG-332-CS13211.mzML; RAW_FILE_NAME(Raw file name positive ion)=200730-POS-332-CS13211.mzML; RAW_FILE_NAME(Raw file name nagavitive ion repeat1)=NA; RAW_FILE_NAME(Raw file name nagavitive ion repeat2)=NA SUBJECT_SAMPLE_FACTORS S149 CS13241 Sample source:blood | Group:Sepsis | Timepoint:-3 Batch=B2; RAW_FILE_NAME(Raw file name nagavitive ion)=200730-NEG-281-CS13241.mzML; RAW_FILE_NAME(Raw file name positive ion)=200730-POS-281-CS13241.mzML; RAW_FILE_NAME(Raw file name nagavitive ion repeat1)=NA; RAW_FILE_NAME(Raw file name nagavitive ion repeat2)=NA SUBJECT_SAMPLE_FACTORS S179 CS13247 Sample source:blood | Group:Sepsis | Timepoint:-3 Batch=B2; RAW_FILE_NAME(Raw file name nagavitive ion)=200730-NEG-410-CS13247.mzML; RAW_FILE_NAME(Raw file name positive ion)=200730-POS-410-CS13247.mzML; RAW_FILE_NAME(Raw file name nagavitive ion repeat1)=NA; RAW_FILE_NAME(Raw file name nagavitive ion repeat2)=NA SUBJECT_SAMPLE_FACTORS S207 CS13268 Sample source:blood | Group:Sepsis | Timepoint:-3 Batch=B3; RAW_FILE_NAME(Raw file name nagavitive ion)=200807-NEG-549-CS13268.mzML; RAW_FILE_NAME(Raw file name positive ion)=200807-POS-549-CS13268.mzML; RAW_FILE_NAME(Raw file name nagavitive ion repeat1)=NA; RAW_FILE_NAME(Raw file name nagavitive ion repeat2)=NA SUBJECT_SAMPLE_FACTORS S214 CS13274 Sample source:blood | Group:Sepsis | Timepoint:-3 Batch=B3; RAW_FILE_NAME(Raw file name nagavitive ion)=200807-NEG-487-CS13274.mzML; RAW_FILE_NAME(Raw file name positive ion)=200807-POS-487-CS13274.mzML; RAW_FILE_NAME(Raw file name nagavitive ion repeat1)=NA; RAW_FILE_NAME(Raw file name nagavitive ion repeat2)=NA SUBJECT_SAMPLE_FACTORS S215 CS13277 Sample source:blood | Group:Sepsis | Timepoint:-3 Batch=B2; RAW_FILE_NAME(Raw file name nagavitive ion)=200730-NEG-337-CS13277.mzML; RAW_FILE_NAME(Raw file name positive ion)=200730-POS-337-CS13277.mzML; RAW_FILE_NAME(Raw file name nagavitive ion repeat1)=NA; RAW_FILE_NAME(Raw file name nagavitive ion repeat2)=NA SUBJECT_SAMPLE_FACTORS S217 CS13283 Sample source:blood | Group:Sepsis | Timepoint:-3 Batch=B1; RAW_FILE_NAME(Raw file name nagavitive ion)=200724-NEG-142-CS13283.mzML; RAW_FILE_NAME(Raw file name positive ion)=200724-POS-142-CS13283.mzML; RAW_FILE_NAME(Raw file name nagavitive ion repeat1)=NA; RAW_FILE_NAME(Raw file name nagavitive ion repeat2)=NA SUBJECT_SAMPLE_FACTORS S230 CS13289 Sample source:blood | Group:Sepsis | Timepoint:-3 Batch=B1; RAW_FILE_NAME(Raw file name nagavitive ion)=200724-NEG-191-CS13289.mzML; RAW_FILE_NAME(Raw file name positive ion)=200724-POS-191-CS13289.mzML; RAW_FILE_NAME(Raw file name nagavitive ion repeat1)=NA; RAW_FILE_NAME(Raw file name nagavitive ion repeat2)=NA SUBJECT_SAMPLE_FACTORS S118 CS13298 Sample source:blood | Group:Sepsis | Timepoint:-3 Batch=B3; RAW_FILE_NAME(Raw file name nagavitive ion)=200807-NEG-578-CS13298.mzML; RAW_FILE_NAME(Raw file name positive ion)=200807-POS-578-CS13298.mzML; RAW_FILE_NAME(Raw file name nagavitive ion repeat1)=NA; RAW_FILE_NAME(Raw file name nagavitive ion repeat2)=NA SUBJECT_SAMPLE_FACTORS S044 CS13301 Sample source:blood | Group:Sepsis | Timepoint:-3 Batch=B2; RAW_FILE_NAME(Raw file name nagavitive ion)=200730-NEG-259-CS13301.mzML; RAW_FILE_NAME(Raw file name positive ion)=200730-POS-259-CS13301.mzML; RAW_FILE_NAME(Raw file name nagavitive ion repeat1)=NA; RAW_FILE_NAME(Raw file name nagavitive ion repeat2)=NA SUBJECT_SAMPLE_FACTORS S048 CS13304 Sample source:blood | Group:Sepsis | Timepoint:-3 Batch=B3; RAW_FILE_NAME(Raw file name nagavitive ion)=200807-NEG-448-CS13304.mzML; RAW_FILE_NAME(Raw file name positive ion)=200807-POS-448-CS13304.mzML; RAW_FILE_NAME(Raw file name nagavitive ion repeat1)=NA; RAW_FILE_NAME(Raw file name nagavitive ion repeat2)=NA SUBJECT_SAMPLE_FACTORS S082 CS13313 Sample source:blood | Group:Sepsis | Timepoint:-3 Batch=B1; RAW_FILE_NAME(Raw file name nagavitive ion)=200724-NEG-100-CS13313.mzML; RAW_FILE_NAME(Raw file name positive ion)=200724-POS-100-CS13313.mzML; RAW_FILE_NAME(Raw file name nagavitive ion repeat1)=NA; RAW_FILE_NAME(Raw file name nagavitive ion repeat2)=NA SUBJECT_SAMPLE_FACTORS S093 CS13331 Sample source:blood | Group:Sepsis | Timepoint:-3 Batch=B2; RAW_FILE_NAME(Raw file name nagavitive ion)=200730-NEG-232-CS13331.mzML; RAW_FILE_NAME(Raw file name positive ion)=200730-POS-232-CS13331.mzML; RAW_FILE_NAME(Raw file name nagavitive ion repeat1)=NA; RAW_FILE_NAME(Raw file name nagavitive ion repeat2)=NA SUBJECT_SAMPLE_FACTORS S094 CS13343 Sample source:blood | Group:Sepsis | Timepoint:-3 Batch=B2; RAW_FILE_NAME(Raw file name nagavitive ion)=200730-NEG-301-CS13343.mzML; RAW_FILE_NAME(Raw file name positive ion)=200730-POS-301-CS13343.mzML; RAW_FILE_NAME(Raw file name nagavitive ion repeat1)=NA; RAW_FILE_NAME(Raw file name nagavitive ion repeat2)=NA SUBJECT_SAMPLE_FACTORS S056 CS12925 Sample source:blood | Group:Sepsis | Timepoint:Pre Batch=B2; RAW_FILE_NAME(Raw file name nagavitive ion)=200730-NEG-364-CS12925.mzML; RAW_FILE_NAME(Raw file name positive ion)=200730-POS-364-CS12925.mzML; RAW_FILE_NAME(Raw file name nagavitive ion repeat1)=NA; RAW_FILE_NAME(Raw file name nagavitive ion repeat2)=NA SUBJECT_SAMPLE_FACTORS S035 CS12937 Sample source:blood | Group:Sepsis | Timepoint:Pre Batch=B1; RAW_FILE_NAME(Raw file name nagavitive ion)=200724-NEG-097-CS12937.mzML; RAW_FILE_NAME(Raw file name positive ion)=200724-POS-097-CS12937.mzML; RAW_FILE_NAME(Raw file name nagavitive ion repeat1)=NA; RAW_FILE_NAME(Raw file name nagavitive ion repeat2)=NA SUBJECT_SAMPLE_FACTORS S036 CS12940 Sample source:blood | Group:Sepsis | Timepoint:Pre Batch=B2; RAW_FILE_NAME(Raw file name nagavitive ion)=200730-NEG-305-CS12940.mzML; RAW_FILE_NAME(Raw file name positive ion)=200730-POS-305-CS12940.mzML; RAW_FILE_NAME(Raw file name nagavitive ion repeat1)=NA; RAW_FILE_NAME(Raw file name nagavitive ion repeat2)=NA SUBJECT_SAMPLE_FACTORS S063 CS12958 Sample source:blood | Group:Sepsis | Timepoint:Pre Batch=B2; RAW_FILE_NAME(Raw file name nagavitive ion)=200730-NEG-237-CS12958.mzML; RAW_FILE_NAME(Raw file name positive ion)=200730-POS-237-CS12958.mzML; RAW_FILE_NAME(Raw file name nagavitive ion repeat1)=NA; RAW_FILE_NAME(Raw file name nagavitive ion repeat2)=NA SUBJECT_SAMPLE_FACTORS S065 CS12961 Sample source:blood | Group:Sepsis | Timepoint:Pre Batch=B1; RAW_FILE_NAME(Raw file name nagavitive ion)=200724-NEG-043-CS12961.mzML; RAW_FILE_NAME(Raw file name positive ion)=200724-POS-043-CS12961.mzML; RAW_FILE_NAME(Raw file name nagavitive ion repeat1)=NA; RAW_FILE_NAME(Raw file name nagavitive ion repeat2)=NA SUBJECT_SAMPLE_FACTORS S077 CS12964 Sample source:blood | Group:Sepsis | Timepoint:Pre Batch=B2; RAW_FILE_NAME(Raw file name nagavitive ion)=200730-NEG-309-CS12964.mzML; RAW_FILE_NAME(Raw file name positive ion)=200730-POS-309-CS12964.mzML; RAW_FILE_NAME(Raw file name nagavitive ion repeat1)=NA; RAW_FILE_NAME(Raw file name nagavitive ion repeat2)=NA SUBJECT_SAMPLE_FACTORS S083 CS12967 Sample source:blood | Group:Sepsis | Timepoint:Pre Batch=B3; RAW_FILE_NAME(Raw file name nagavitive ion)=200807-NEG-460-CS12967.mzML; RAW_FILE_NAME(Raw file name positive ion)=200807-POS-460-CS12967.mzML; RAW_FILE_NAME(Raw file name nagavitive ion repeat1)=NA; RAW_FILE_NAME(Raw file name nagavitive ion repeat2)=NA SUBJECT_SAMPLE_FACTORS S084 CS12970 Sample source:blood | Group:Sepsis | Timepoint:Pre Batch=B1; RAW_FILE_NAME(Raw file name nagavitive ion)=200724-NEG-068-CS12970.mzML; RAW_FILE_NAME(Raw file name positive ion)=200724-POS-068-CS12970.mzML; RAW_FILE_NAME(Raw file name nagavitive ion repeat1)=NA; RAW_FILE_NAME(Raw file name nagavitive ion repeat2)=NA SUBJECT_SAMPLE_FACTORS S055 CS12982 Sample source:blood | Group:Sepsis | Timepoint:Pre Batch=B1; RAW_FILE_NAME(Raw file name nagavitive ion)=200724-NEG-177-CS12982.mzML; RAW_FILE_NAME(Raw file name positive ion)=200724-POS-177-CS12982.mzML; RAW_FILE_NAME(Raw file name nagavitive ion repeat1)=NA; RAW_FILE_NAME(Raw file name nagavitive ion repeat2)=NA SUBJECT_SAMPLE_FACTORS S087 CS12990 Sample source:blood | Group:Sepsis | Timepoint:Pre Batch=B2; RAW_FILE_NAME(Raw file name nagavitive ion)=200730-NEG-403-CS12990.mzML; RAW_FILE_NAME(Raw file name positive ion)=200730-POS-403-CS12990.mzML; RAW_FILE_NAME(Raw file name nagavitive ion repeat1)=NA; RAW_FILE_NAME(Raw file name nagavitive ion repeat2)=NA SUBJECT_SAMPLE_FACTORS S245 CS13026 Sample source:blood | Group:Sepsis | Timepoint:Pre Batch=B1; RAW_FILE_NAME(Raw file name nagavitive ion)=200724-NEG-125-CS13026.mzML; RAW_FILE_NAME(Raw file name positive ion)=200724-POS-125-CS13026.mzML; RAW_FILE_NAME(Raw file name nagavitive ion repeat1)=NA; RAW_FILE_NAME(Raw file name nagavitive ion repeat2)=NA SUBJECT_SAMPLE_FACTORS S246 CS13029 Sample source:blood | Group:Sepsis | Timepoint:Pre Batch=B1; RAW_FILE_NAME(Raw file name nagavitive ion)=200724-NEG-111-CS13029.mzML; RAW_FILE_NAME(Raw file name positive ion)=200724-POS-111-CS13029.mzML; RAW_FILE_NAME(Raw file name nagavitive ion repeat1)=NA; RAW_FILE_NAME(Raw file name nagavitive ion repeat2)=NA SUBJECT_SAMPLE_FACTORS S250 CS13034 Sample source:blood | Group:Sepsis | Timepoint:Pre Batch=B1; RAW_FILE_NAME(Raw file name nagavitive ion)=200724-NEG-155-CS13034.mzML; RAW_FILE_NAME(Raw file name positive ion)=200724-POS-155-CS13034.mzML; RAW_FILE_NAME(Raw file name nagavitive ion repeat1)=NA; RAW_FILE_NAME(Raw file name nagavitive ion repeat2)=NA SUBJECT_SAMPLE_FACTORS S260 CS13037 Sample source:blood | Group:Sepsis | Timepoint:Pre Batch=B2; RAW_FILE_NAME(Raw file name nagavitive ion)=200730-NEG-339-CS13037.mzML; RAW_FILE_NAME(Raw file name positive ion)=200730-POS-339-CS13037.mzML; RAW_FILE_NAME(Raw file name nagavitive ion repeat1)=NA; RAW_FILE_NAME(Raw file name nagavitive ion repeat2)=NA SUBJECT_SAMPLE_FACTORS S261 CS13040 Sample source:blood | Group:Sepsis | Timepoint:Pre Batch=B1; RAW_FILE_NAME(Raw file name nagavitive ion)=200724-NEG-039-CS13040.mzML; RAW_FILE_NAME(Raw file name positive ion)=200724-POS-039-CS13040.mzML; RAW_FILE_NAME(Raw file name nagavitive ion repeat1)=NA; RAW_FILE_NAME(Raw file name nagavitive ion repeat2)=NA SUBJECT_SAMPLE_FACTORS S262 CS13043 Sample source:blood | Group:Sepsis | Timepoint:Pre Batch=B3; RAW_FILE_NAME(Raw file name nagavitive ion)=200807-NEG-467-CS13043.mzML; RAW_FILE_NAME(Raw file name positive ion)=200807-POS-467-CS13043.mzML; RAW_FILE_NAME(Raw file name nagavitive ion repeat1)=NA; RAW_FILE_NAME(Raw file name nagavitive ion repeat2)=NA SUBJECT_SAMPLE_FACTORS S264 CS13049 Sample source:blood | Group:Sepsis | Timepoint:Pre Batch=B2; RAW_FILE_NAME(Raw file name nagavitive ion)=200730-NEG-252-CS13049.mzML; RAW_FILE_NAME(Raw file name positive ion)=200730-POS-252-CS13049.mzML; RAW_FILE_NAME(Raw file name nagavitive ion repeat1)=NA; RAW_FILE_NAME(Raw file name nagavitive ion repeat2)=NA SUBJECT_SAMPLE_FACTORS S238 CS13054 Sample source:blood | Group:Sepsis | Timepoint:Pre Batch=B3; RAW_FILE_NAME(Raw file name nagavitive ion)=200807-NEG-476-CS13054.mzML; RAW_FILE_NAME(Raw file name positive ion)=200807-POS-476-CS13054.mzML; RAW_FILE_NAME(Raw file name nagavitive ion repeat1)=NA; RAW_FILE_NAME(Raw file name nagavitive ion repeat2)=NA SUBJECT_SAMPLE_FACTORS S278 CS13063 Sample source:blood | Group:Sepsis | Timepoint:Pre Batch=B1; RAW_FILE_NAME(Raw file name nagavitive ion)=200724-NEG-056-CS13063.mzML; RAW_FILE_NAME(Raw file name positive ion)=200724-POS-056-CS13063.mzML; RAW_FILE_NAME(Raw file name nagavitive ion repeat1)=NA; RAW_FILE_NAME(Raw file name nagavitive ion repeat2)=NA SUBJECT_SAMPLE_FACTORS S292 CS13069 Sample source:blood | Group:Sepsis | Timepoint:Pre Batch=B2; RAW_FILE_NAME(Raw file name nagavitive ion)=200730-NEG-270-CS13069.mzML; RAW_FILE_NAME(Raw file name positive ion)=200730-POS-270-CS13069.mzML; RAW_FILE_NAME(Raw file name nagavitive ion repeat1)=NA; RAW_FILE_NAME(Raw file name nagavitive ion repeat2)=NA SUBJECT_SAMPLE_FACTORS S257 CS13078 Sample source:blood | Group:Sepsis | Timepoint:Pre Batch=B2; RAW_FILE_NAME(Raw file name nagavitive ion)=200730-NEG-419-CS13078.mzML; RAW_FILE_NAME(Raw file name positive ion)=200730-POS-419-CS13078.mzML; RAW_FILE_NAME(Raw file name nagavitive ion repeat1)=NA; RAW_FILE_NAME(Raw file name nagavitive ion repeat2)=NA SUBJECT_SAMPLE_FACTORS S034 CS13159 Sample source:blood | Group:Sepsis | Timepoint:Pre Batch=B1; RAW_FILE_NAME(Raw file name nagavitive ion)=200724-NEG-194-CS13159.mzML; RAW_FILE_NAME(Raw file name positive ion)=200724-POS-194-CS13159.mzML; RAW_FILE_NAME(Raw file name nagavitive ion repeat1)=NA; RAW_FILE_NAME(Raw file name nagavitive ion repeat2)=NA SUBJECT_SAMPLE_FACTORS S144 CS13195 Sample source:blood | Group:Sepsis | Timepoint:Pre Batch=B2; RAW_FILE_NAME(Raw file name nagavitive ion)=200730-NEG-347-CS13195.mzML; RAW_FILE_NAME(Raw file name positive ion)=200730-POS-347-CS13195.mzML; RAW_FILE_NAME(Raw file name nagavitive ion repeat1)=NA; RAW_FILE_NAME(Raw file name nagavitive ion repeat2)=NA SUBJECT_SAMPLE_FACTORS S155 CS13201 Sample source:blood | Group:Sepsis | Timepoint:Pre Batch=B3; RAW_FILE_NAME(Raw file name nagavitive ion)=200807-NEG-566-CS13201.mzML; RAW_FILE_NAME(Raw file name positive ion)=200807-POS-566-CS13201.mzML; RAW_FILE_NAME(Raw file name nagavitive ion repeat1)=NA; RAW_FILE_NAME(Raw file name nagavitive ion repeat2)=NA SUBJECT_SAMPLE_FACTORS S140 CS13207 Sample source:blood | Group:Sepsis | Timepoint:Pre Batch=B1; RAW_FILE_NAME(Raw file name nagavitive ion)=200724-NEG-204-CS13207.mzML; RAW_FILE_NAME(Raw file name positive ion)=200724-POS-204-CS13207.mzML; RAW_FILE_NAME(Raw file name nagavitive ion repeat1)=NA; RAW_FILE_NAME(Raw file name nagavitive ion repeat2)=NA SUBJECT_SAMPLE_FACTORS S141 CS13210 Sample source:blood | Group:Sepsis | Timepoint:Pre Batch=B2; RAW_FILE_NAME(Raw file name nagavitive ion)=200730-NEG-333-CS13210.mzML; RAW_FILE_NAME(Raw file name positive ion)=200730-POS-333-CS13210.mzML; RAW_FILE_NAME(Raw file name nagavitive ion repeat1)=NA; RAW_FILE_NAME(Raw file name nagavitive ion repeat2)=NA SUBJECT_SAMPLE_FACTORS S149 CS13240 Sample source:blood | Group:Sepsis | Timepoint:Pre Batch=B2; RAW_FILE_NAME(Raw file name nagavitive ion)=200730-NEG-279-CS13240.mzML; RAW_FILE_NAME(Raw file name positive ion)=200730-POS-279-CS13240.mzML; RAW_FILE_NAME(Raw file name nagavitive ion repeat1)=NA; RAW_FILE_NAME(Raw file name nagavitive ion repeat2)=NA SUBJECT_SAMPLE_FACTORS S179 CS13246 Sample source:blood | Group:Sepsis | Timepoint:Pre Batch=B2; RAW_FILE_NAME(Raw file name nagavitive ion)=200730-NEG-409-CS13246.mzML; RAW_FILE_NAME(Raw file name positive ion)=200730-POS-409-CS13246.mzML; RAW_FILE_NAME(Raw file name nagavitive ion repeat1)=NA; RAW_FILE_NAME(Raw file name nagavitive ion repeat2)=NA SUBJECT_SAMPLE_FACTORS S207 CS13267 Sample source:blood | Group:Sepsis | Timepoint:Pre Batch=B3; RAW_FILE_NAME(Raw file name nagavitive ion)=200807-NEG-548-CS13267.mzML; RAW_FILE_NAME(Raw file name positive ion)=200807-POS-548-CS13267.mzML; RAW_FILE_NAME(Raw file name nagavitive ion repeat1)=NA; RAW_FILE_NAME(Raw file name nagavitive ion repeat2)=NA SUBJECT_SAMPLE_FACTORS S214 CS13273 Sample source:blood | Group:Sepsis | Timepoint:Pre Batch=B3; RAW_FILE_NAME(Raw file name nagavitive ion)=200807-NEG-486-CS13273.mzML; RAW_FILE_NAME(Raw file name positive ion)=200807-POS-486-CS13273.mzML; RAW_FILE_NAME(Raw file name nagavitive ion repeat1)=NA; RAW_FILE_NAME(Raw file name nagavitive ion repeat2)=NA SUBJECT_SAMPLE_FACTORS S215 CS13276 Sample source:blood | Group:Sepsis | Timepoint:Pre Batch=B2; RAW_FILE_NAME(Raw file name nagavitive ion)=200730-NEG-335-CS13276.mzML; RAW_FILE_NAME(Raw file name positive ion)=200730-POS-335-CS13276.mzML; RAW_FILE_NAME(Raw file name nagavitive ion repeat1)=NA; RAW_FILE_NAME(Raw file name nagavitive ion repeat2)=NA SUBJECT_SAMPLE_FACTORS S217 CS13282 Sample source:blood | Group:Sepsis | Timepoint:Pre Batch=B1; RAW_FILE_NAME(Raw file name nagavitive ion)=200724-NEG-140-CS13282.mzML; RAW_FILE_NAME(Raw file name positive ion)=200724-POS-140-CS13282.mzML; RAW_FILE_NAME(Raw file name nagavitive ion repeat1)=NA; RAW_FILE_NAME(Raw file name nagavitive ion repeat2)=NA SUBJECT_SAMPLE_FACTORS S230 CS13288 Sample source:blood | Group:Sepsis | Timepoint:Pre Batch=B1; RAW_FILE_NAME(Raw file name nagavitive ion)=200724-NEG-190-CS13288.mzML; RAW_FILE_NAME(Raw file name positive ion)=200724-POS-190-CS13288.mzML; RAW_FILE_NAME(Raw file name nagavitive ion repeat1)=NA; RAW_FILE_NAME(Raw file name nagavitive ion repeat2)=NA SUBJECT_SAMPLE_FACTORS S118 CS13297 Sample source:blood | Group:Sepsis | Timepoint:Pre Batch=B3; RAW_FILE_NAME(Raw file name nagavitive ion)=200807-NEG-577-CS13297.mzML; RAW_FILE_NAME(Raw file name positive ion)=200807-POS-577-CS13297.mzML; RAW_FILE_NAME(Raw file name nagavitive ion repeat1)=NA; RAW_FILE_NAME(Raw file name nagavitive ion repeat2)=NA SUBJECT_SAMPLE_FACTORS S044 CS13300 Sample source:blood | Group:Sepsis | Timepoint:Pre Batch=B2; RAW_FILE_NAME(Raw file name nagavitive ion)=200730-NEG-260-CS13300.mzML; RAW_FILE_NAME(Raw file name positive ion)=200730-POS-260-CS13300.mzML; RAW_FILE_NAME(Raw file name nagavitive ion repeat1)=NA; RAW_FILE_NAME(Raw file name nagavitive ion repeat2)=NA SUBJECT_SAMPLE_FACTORS S048 CS13303 Sample source:blood | Group:Sepsis | Timepoint:Pre Batch=B3; RAW_FILE_NAME(Raw file name nagavitive ion)=200807-NEG-447-CS13303.mzML; RAW_FILE_NAME(Raw file name positive ion)=200807-POS-447-CS13303.mzML; RAW_FILE_NAME(Raw file name nagavitive ion repeat1)=NA; RAW_FILE_NAME(Raw file name nagavitive ion repeat2)=NA SUBJECT_SAMPLE_FACTORS S082 CS13312 Sample source:blood | Group:Sepsis | Timepoint:Pre Batch=B1; RAW_FILE_NAME(Raw file name nagavitive ion)=200724-NEG-099-CS13312.mzML; RAW_FILE_NAME(Raw file name positive ion)=200724-POS-099-CS13312.mzML; RAW_FILE_NAME(Raw file name nagavitive ion repeat1)=NA; RAW_FILE_NAME(Raw file name nagavitive ion repeat2)=NA SUBJECT_SAMPLE_FACTORS S093 CS13330 Sample source:blood | Group:Sepsis | Timepoint:Pre Batch=B2; RAW_FILE_NAME(Raw file name nagavitive ion)=200730-NEG-230-CS13330.mzML; RAW_FILE_NAME(Raw file name positive ion)=200730-POS-230-CS13330.mzML; RAW_FILE_NAME(Raw file name nagavitive ion repeat1)=NA; RAW_FILE_NAME(Raw file name nagavitive ion repeat2)=NA SUBJECT_SAMPLE_FACTORS S094 CS13342 Sample source:blood | Group:Sepsis | Timepoint:Pre Batch=B2; RAW_FILE_NAME(Raw file name nagavitive ion)=200730-NEG-300-CS13342.mzML; RAW_FILE_NAME(Raw file name positive ion)=200730-POS-300-CS13342.mzML; RAW_FILE_NAME(Raw file name nagavitive ion repeat1)=NA; RAW_FILE_NAME(Raw file name nagavitive ion repeat2)=NA SUBJECT_SAMPLE_FACTORS SIRS S207 CS12998 Sample source:blood | Group:SIRS | Timepoint:-1 Batch=B3; RAW_FILE_NAME(Raw file name nagavitive ion)=200807-NEG-570-CS12998.mzML; RAW_FILE_NAME(Raw file name positive ion)=200807-POS-570-CS12998.mzML; RAW_FILE_NAME(Raw file name nagavitive ion repeat1)=NA; RAW_FILE_NAME(Raw file name nagavitive ion repeat2)=NA SUBJECT_SAMPLE_FACTORS SIRS S217 CS13022 Sample source:blood | Group:SIRS | Timepoint:-1 Batch=B1; RAW_FILE_NAME(Raw file name nagavitive ion)=200724-NEG-182-CS13022.mzML; RAW_FILE_NAME(Raw file name positive ion)=200724-POS-182-CS13022.mzML; RAW_FILE_NAME(Raw file name nagavitive ion repeat1)=NA; RAW_FILE_NAME(Raw file name nagavitive ion repeat2)=NA SUBJECT_SAMPLE_FACTORS SIRS S195 CS13025 Sample source:blood | Group:SIRS | Timepoint:-1 Batch=B1; RAW_FILE_NAME(Raw file name nagavitive ion)=200724-NEG-088-CS13025.mzML; RAW_FILE_NAME(Raw file name positive ion)=200724-POS-088-CS13025.mzML; RAW_FILE_NAME(Raw file name nagavitive ion repeat1)=NA; RAW_FILE_NAME(Raw file name nagavitive ion repeat2)=NA SUBJECT_SAMPLE_FACTORS SIRS S257 CS13086 Sample source:blood | Group:SIRS | Timepoint:-1 Batch=B2; RAW_FILE_NAME(Raw file name nagavitive ion)=200730-NEG-374-CS13086.mzML; RAW_FILE_NAME(Raw file name positive ion)=200730-POS-374-CS13086.mzML; RAW_FILE_NAME(Raw file name nagavitive ion repeat1)=NA; RAW_FILE_NAME(Raw file name nagavitive ion repeat2)=NA SUBJECT_SAMPLE_FACTORS SIRS S197 CS13119 Sample source:blood | Group:SIRS | Timepoint:-1 Batch=B1; RAW_FILE_NAME(Raw file name nagavitive ion)=200724-NEG-170-CS13119.mzML; RAW_FILE_NAME(Raw file name positive ion)=200724-POS-170-CS13119.mzML; RAW_FILE_NAME(Raw file name nagavitive ion repeat1)=NA; RAW_FILE_NAME(Raw file name nagavitive ion repeat2)=NA SUBJECT_SAMPLE_FACTORS SIRS S238 CS13122 Sample source:blood | Group:SIRS | Timepoint:-1 Batch=B3; RAW_FILE_NAME(Raw file name nagavitive ion)=200807-NEG-559-CS13122.mzML; RAW_FILE_NAME(Raw file name positive ion)=200807-POS-559-CS13122.mzML; RAW_FILE_NAME(Raw file name nagavitive ion repeat1)=NA; RAW_FILE_NAME(Raw file name nagavitive ion repeat2)=NA SUBJECT_SAMPLE_FACTORS SIRS S246 CS13125 Sample source:blood | Group:SIRS | Timepoint:-1 Batch=B2; RAW_FILE_NAME(Raw file name nagavitive ion)=200730-NEG-242-CS13125.mzML; RAW_FILE_NAME(Raw file name positive ion)=200730-POS-242-CS13125.mzML; RAW_FILE_NAME(Raw file name nagavitive ion repeat1)=NA; RAW_FILE_NAME(Raw file name nagavitive ion repeat2)=NA SUBJECT_SAMPLE_FACTORS SIRS S250 CS13128 Sample source:blood | Group:SIRS | Timepoint:-1 Batch=B3; RAW_FILE_NAME(Raw file name nagavitive ion)=200807-NEG-483-CS13128.mzML; RAW_FILE_NAME(Raw file name positive ion)=200807-POS-483-CS13128.mzML; RAW_FILE_NAME(Raw file name nagavitive ion repeat1)=NA; RAW_FILE_NAME(Raw file name nagavitive ion repeat2)=NA SUBJECT_SAMPLE_FACTORS SIRS S260 CS13131 Sample source:blood | Group:SIRS | Timepoint:-1 Batch=B3; RAW_FILE_NAME(Raw file name nagavitive ion)=200807-NEG-543-CS13131.mzML; RAW_FILE_NAME(Raw file name positive ion)=200807-POS-543-CS13131.mzML; RAW_FILE_NAME(Raw file name nagavitive ion repeat1)=NA; RAW_FILE_NAME(Raw file name nagavitive ion repeat2)=NA SUBJECT_SAMPLE_FACTORS SIRS S261 CS13134 Sample source:blood | Group:SIRS | Timepoint:-1 Batch=B2; RAW_FILE_NAME(Raw file name nagavitive ion)=200730-NEG-405-CS13134.mzML; RAW_FILE_NAME(Raw file name positive ion)=200730-POS-405-CS13134.mzML; RAW_FILE_NAME(Raw file name nagavitive ion repeat1)=NA; RAW_FILE_NAME(Raw file name nagavitive ion repeat2)=NA SUBJECT_SAMPLE_FACTORS SIRS S262 CS13137 Sample source:blood | Group:SIRS | Timepoint:-1 Batch=B1; RAW_FILE_NAME(Raw file name nagavitive ion)=200724-NEG-051-CS13137.mzML; RAW_FILE_NAME(Raw file name positive ion)=200724-POS-051-CS13137.mzML; RAW_FILE_NAME(Raw file name nagavitive ion repeat1)=NA; RAW_FILE_NAME(Raw file name nagavitive ion repeat2)=NA SUBJECT_SAMPLE_FACTORS SIRS S264 CS13140 Sample source:blood | Group:SIRS | Timepoint:-1 Batch=B1; RAW_FILE_NAME(Raw file name nagavitive ion)=200724-NEG-084-CS13140.mzML; RAW_FILE_NAME(Raw file name positive ion)=200724-POS-084-CS13140.mzML; RAW_FILE_NAME(Raw file name nagavitive ion repeat1)=NA; RAW_FILE_NAME(Raw file name nagavitive ion repeat2)=NA SUBJECT_SAMPLE_FACTORS SIRS S278 CS13143 Sample source:blood | Group:SIRS | Timepoint:-1 Batch=B1; RAW_FILE_NAME(Raw file name nagavitive ion)=200724-NEG-063-CS13143.mzML; RAW_FILE_NAME(Raw file name positive ion)=200724-POS-063-CS13143.mzML; RAW_FILE_NAME(Raw file name nagavitive ion repeat1)=NA; RAW_FILE_NAME(Raw file name nagavitive ion repeat2)=NA SUBJECT_SAMPLE_FACTORS SIRS S281 CS13146 Sample source:blood | Group:SIRS | Timepoint:-1 Batch=B2; RAW_FILE_NAME(Raw file name nagavitive ion)=200730-NEG-272-CS13146.mzML; RAW_FILE_NAME(Raw file name positive ion)=200730-POS-272-CS13146.mzML; RAW_FILE_NAME(Raw file name nagavitive ion repeat1)=NA; RAW_FILE_NAME(Raw file name nagavitive ion repeat2)=NA SUBJECT_SAMPLE_FACTORS SIRS S283 CS13152 Sample source:blood | Group:SIRS | Timepoint:-1 Batch=B2; RAW_FILE_NAME(Raw file name nagavitive ion)=200730-NEG-370-CS13152.mzML; RAW_FILE_NAME(Raw file name positive ion)=200730-POS-370-CS13152.mzML; RAW_FILE_NAME(Raw file name nagavitive ion repeat1)=NA; RAW_FILE_NAME(Raw file name nagavitive ion repeat2)=NA SUBJECT_SAMPLE_FACTORS SIRS S284 CS13155 Sample source:blood | Group:SIRS | Timepoint:-1 Batch=B1; RAW_FILE_NAME(Raw file name nagavitive ion)=200724-NEG-174-CS13155.mzML; RAW_FILE_NAME(Raw file name positive ion)=200724-POS-174-CS13155.mzML; RAW_FILE_NAME(Raw file name nagavitive ion repeat1)=NA; RAW_FILE_NAME(Raw file name nagavitive ion repeat2)=NA SUBJECT_SAMPLE_FACTORS SIRS S292 CS13158 Sample source:blood | Group:SIRS | Timepoint:-1 Batch=B3; RAW_FILE_NAME(Raw file name nagavitive ion)=200807-NEG-553-CS13158.mzML; RAW_FILE_NAME(Raw file name positive ion)=200807-POS-553-CS13158.mzML; RAW_FILE_NAME(Raw file name nagavitive ion repeat1)=NA; RAW_FILE_NAME(Raw file name nagavitive ion repeat2)=NA SUBJECT_SAMPLE_FACTORS SIRS S034 CS13173 Sample source:blood | Group:SIRS | Timepoint:-1 Batch=B3; RAW_FILE_NAME(Raw file name nagavitive ion)=200807-NEG-529-CS13173.mzML; RAW_FILE_NAME(Raw file name positive ion)=200807-POS-529-CS13173.mzML; RAW_FILE_NAME(Raw file name nagavitive ion repeat1)=NA; RAW_FILE_NAME(Raw file name nagavitive ion repeat2)=NA SUBJECT_SAMPLE_FACTORS SIRS S266 CS13185 Sample source:blood | Group:SIRS | Timepoint:-1 Batch=B2; RAW_FILE_NAME(Raw file name nagavitive ion)=NA; RAW_FILE_NAME(Raw file name positive ion)=200730-POS-264-CS13185.mzML; RAW_FILE_NAME(Raw file name nagavitive ion repeat1)=200730-NEG-264-CS13185_20200802231051.mzML; RAW_FILE_NAME(Raw file name nagavitive ion repeat2)=200730-NEG-264-CS13185_20200803170414.mzML SUBJECT_SAMPLE_FACTORS SIRS S269 CS13188 Sample source:blood | Group:SIRS | Timepoint:-1 Batch=B1; RAW_FILE_NAME(Raw file name nagavitive ion)=200724-NEG-030-CS13188.mzML; RAW_FILE_NAME(Raw file name positive ion)=200724-POS-030-CS13188.mzML; RAW_FILE_NAME(Raw file name nagavitive ion repeat1)=NA; RAW_FILE_NAME(Raw file name nagavitive ion repeat2)=NA SUBJECT_SAMPLE_FACTORS SIRS S119 CS13191 Sample source:blood | Group:SIRS | Timepoint:-1 Batch=B3; RAW_FILE_NAME(Raw file name nagavitive ion)=200807-NEG-490-CS13191.mzML; RAW_FILE_NAME(Raw file name positive ion)=200807-POS-490-CS13191.mzML; RAW_FILE_NAME(Raw file name nagavitive ion repeat1)=NA; RAW_FILE_NAME(Raw file name nagavitive ion repeat2)=NA SUBJECT_SAMPLE_FACTORS SIRS S122 CS13224 Sample source:blood | Group:SIRS | Timepoint:-1 Batch=B1; RAW_FILE_NAME(Raw file name nagavitive ion)=200724-NEG-131-CS13224.mzML; RAW_FILE_NAME(Raw file name positive ion)=200724-POS-131-CS13224.mzML; RAW_FILE_NAME(Raw file name nagavitive ion repeat1)=NA; RAW_FILE_NAME(Raw file name nagavitive ion repeat2)=NA SUBJECT_SAMPLE_FACTORS SIRS S140 CS13227 Sample source:blood | Group:SIRS | Timepoint:-1 Batch=B2; RAW_FILE_NAME(Raw file name nagavitive ion)=200730-NEG-285-CS13227.mzML; RAW_FILE_NAME(Raw file name positive ion)=200730-POS-285-CS13227.mzML; RAW_FILE_NAME(Raw file name nagavitive ion repeat1)=NA; RAW_FILE_NAME(Raw file name nagavitive ion repeat2)=NA SUBJECT_SAMPLE_FACTORS SIRS S146 CS13230 Sample source:blood | Group:SIRS | Timepoint:-1 Batch=B1; RAW_FILE_NAME(Raw file name nagavitive ion)=200724-NEG-126-CS13230.mzML; RAW_FILE_NAME(Raw file name positive ion)=200724-POS-126-CS13230.mzML; RAW_FILE_NAME(Raw file name nagavitive ion repeat1)=NA; RAW_FILE_NAME(Raw file name nagavitive ion repeat2)=NA SUBJECT_SAMPLE_FACTORS SIRS S129 CS13233 Sample source:blood | Group:SIRS | Timepoint:-1 Batch=B1; RAW_FILE_NAME(Raw file name nagavitive ion)=200724-NEG-106-CS13233.mzML; RAW_FILE_NAME(Raw file name positive ion)=200724-POS-106-CS13233.mzML; RAW_FILE_NAME(Raw file name nagavitive ion repeat1)=NA; RAW_FILE_NAME(Raw file name nagavitive ion repeat2)=NA SUBJECT_SAMPLE_FACTORS SIRS S144 CS13236 Sample source:blood | Group:SIRS | Timepoint:-1 Batch=B2; RAW_FILE_NAME(Raw file name nagavitive ion)=200730-NEG-389-CS13236.mzML; RAW_FILE_NAME(Raw file name positive ion)=200730-POS-389-CS13236.mzML; RAW_FILE_NAME(Raw file name nagavitive ion repeat1)=NA; RAW_FILE_NAME(Raw file name nagavitive ion repeat2)=NA SUBJECT_SAMPLE_FACTORS SIRS S179 CS13260 Sample source:blood | Group:SIRS | Timepoint:-1 Batch=B2; RAW_FILE_NAME(Raw file name nagavitive ion)=200730-NEG-246-CS13260.mzML; RAW_FILE_NAME(Raw file name positive ion)=200730-POS-246-CS13260.mzML; RAW_FILE_NAME(Raw file name nagavitive ion repeat1)=NA; RAW_FILE_NAME(Raw file name nagavitive ion repeat2)=NA SUBJECT_SAMPLE_FACTORS SIRS S215 CS13293 Sample source:blood | Group:SIRS | Timepoint:-1 Batch=B1; RAW_FILE_NAME(Raw file name nagavitive ion)=200724-NEG-020-CS13293.mzML; RAW_FILE_NAME(Raw file name positive ion)=200724-POS-020-CS13293.mzML; RAW_FILE_NAME(Raw file name nagavitive ion repeat1)=NA; RAW_FILE_NAME(Raw file name nagavitive ion repeat2)=NA SUBJECT_SAMPLE_FACTORS SIRS S193 CS13296 Sample source:blood | Group:SIRS | Timepoint:-1 Batch=B2; RAW_FILE_NAME(Raw file name nagavitive ion)=200730-NEG-294-CS13296.mzML; RAW_FILE_NAME(Raw file name positive ion)=200730-POS-294-CS13296.mzML; RAW_FILE_NAME(Raw file name nagavitive ion repeat1)=NA; RAW_FILE_NAME(Raw file name nagavitive ion repeat2)=NA SUBJECT_SAMPLE_FACTORS SIRS S086 CS13341 Sample source:blood | Group:SIRS | Timepoint:-1 Batch=B2; RAW_FILE_NAME(Raw file name nagavitive ion)=200730-NEG-329-CS13341.mzML; RAW_FILE_NAME(Raw file name positive ion)=200730-POS-329-CS13341.mzML; RAW_FILE_NAME(Raw file name nagavitive ion repeat1)=NA; RAW_FILE_NAME(Raw file name nagavitive ion repeat2)=NA SUBJECT_SAMPLE_FACTORS SIRS S010 CS13347 Sample source:blood | Group:SIRS | Timepoint:-1 Batch=B1; RAW_FILE_NAME(Raw file name nagavitive ion)=200724-NEG-151-CS13347.mzML; RAW_FILE_NAME(Raw file name positive ion)=200724-POS-151-CS13347.mzML; RAW_FILE_NAME(Raw file name nagavitive ion repeat1)=NA; RAW_FILE_NAME(Raw file name nagavitive ion repeat2)=NA SUBJECT_SAMPLE_FACTORS SIRS S060 CS13350 Sample source:blood | Group:SIRS | Timepoint:-1 Batch=B1; RAW_FILE_NAME(Raw file name nagavitive ion)=200724-NEG-135-CS13350.mzML; RAW_FILE_NAME(Raw file name positive ion)=200724-POS-135-CS13350.mzML; RAW_FILE_NAME(Raw file name nagavitive ion repeat1)=NA; RAW_FILE_NAME(Raw file name nagavitive ion repeat2)=NA SUBJECT_SAMPLE_FACTORS SIRS S094 CS13353 Sample source:blood | Group:SIRS | Timepoint:-1 Batch=B2; RAW_FILE_NAME(Raw file name nagavitive ion)=200730-NEG-278-CS13353.mzML; RAW_FILE_NAME(Raw file name positive ion)=200730-POS-278-CS13353.mzML; RAW_FILE_NAME(Raw file name nagavitive ion repeat1)=NA; RAW_FILE_NAME(Raw file name nagavitive ion repeat2)=NA SUBJECT_SAMPLE_FACTORS SIRS S033 CS13356 Sample source:blood | Group:SIRS | Timepoint:-1 Batch=B2; RAW_FILE_NAME(Raw file name nagavitive ion)=200730-NEG-397-CS13356.mzML; RAW_FILE_NAME(Raw file name positive ion)=200730-POS-397-CS13356.mzML; RAW_FILE_NAME(Raw file name nagavitive ion repeat1)=NA; RAW_FILE_NAME(Raw file name nagavitive ion repeat2)=NA SUBJECT_SAMPLE_FACTORS SIRS S041 & SIRS S087 CS13359 Sample source:blood | Group:SIRS | Timepoint:-1 Batch=B1; RAW_FILE_NAME(Raw file name nagavitive ion)=200724-NEG-165-CS13359.mzML; RAW_FILE_NAME(Raw file name positive ion)=200724-POS-165-CS13359.mzML; RAW_FILE_NAME(Raw file name nagavitive ion repeat1)=NA; RAW_FILE_NAME(Raw file name nagavitive ion repeat2)=NA SUBJECT_SAMPLE_FACTORS SIRS S058 CS13362 Sample source:blood | Group:SIRS | Timepoint:-1 Batch=B2; RAW_FILE_NAME(Raw file name nagavitive ion)=200730-NEG-383-CS13362.mzML; RAW_FILE_NAME(Raw file name positive ion)=200730-POS-383-CS13362.mzML; RAW_FILE_NAME(Raw file name nagavitive ion repeat1)=NA; RAW_FILE_NAME(Raw file name nagavitive ion repeat2)=NA SUBJECT_SAMPLE_FACTORS SIRS S039 CS13365 Sample source:blood | Group:SIRS | Timepoint:-1 Batch=B2; RAW_FILE_NAME(Raw file name nagavitive ion)=NA; RAW_FILE_NAME(Raw file name positive ion)=200730-POS-265-CS13365.mzML; RAW_FILE_NAME(Raw file name nagavitive ion repeat1)=200730-NEG-265-CS13365_20200803171958.mzML; RAW_FILE_NAME(Raw file name nagavitive ion repeat2)=NA SUBJECT_SAMPLE_FACTORS SIRS S050 CS13368 Sample source:blood | Group:SIRS | Timepoint:-1 Batch=B3; RAW_FILE_NAME(Raw file name nagavitive ion)=200807-NEG-535-CS13368.mzML; RAW_FILE_NAME(Raw file name positive ion)=200807-POS-535-CS13368.mzML; RAW_FILE_NAME(Raw file name nagavitive ion repeat1)=NA; RAW_FILE_NAME(Raw file name nagavitive ion repeat2)=NA SUBJECT_SAMPLE_FACTORS SIRS S062 CS13371 Sample source:blood | Group:SIRS | Timepoint:-1 Batch=B1; RAW_FILE_NAME(Raw file name nagavitive ion)=200724-NEG-027-CS13371.mzML; RAW_FILE_NAME(Raw file name positive ion)=200724-POS-027-CS13371.mzML; RAW_FILE_NAME(Raw file name nagavitive ion repeat1)=NA; RAW_FILE_NAME(Raw file name nagavitive ion repeat2)=NA SUBJECT_SAMPLE_FACTORS SIRS S281 CS13145 Sample source:blood | Group:SIRS | Timepoint:-2 Batch=B2; RAW_FILE_NAME(Raw file name nagavitive ion)=200730-NEG-274-CS13145.mzML; RAW_FILE_NAME(Raw file name positive ion)=200730-POS-274-CS13145.mzML; RAW_FILE_NAME(Raw file name nagavitive ion repeat1)=NA; RAW_FILE_NAME(Raw file name nagavitive ion repeat2)=NA SUBJECT_SAMPLE_FACTORS SIRS S283 CS13151 Sample source:blood | Group:SIRS | Timepoint:-2 Batch=B2; RAW_FILE_NAME(Raw file name nagavitive ion)=200730-NEG-372-CS13151.mzML; RAW_FILE_NAME(Raw file name positive ion)=200730-POS-372-CS13151.mzML; RAW_FILE_NAME(Raw file name nagavitive ion repeat1)=NA; RAW_FILE_NAME(Raw file name nagavitive ion repeat2)=NA SUBJECT_SAMPLE_FACTORS SIRS S284 CS13154 Sample source:blood | Group:SIRS | Timepoint:-2 Batch=B1; RAW_FILE_NAME(Raw file name nagavitive ion)=200724-NEG-172-CS13154.mzML; RAW_FILE_NAME(Raw file name positive ion)=200724-POS-172-CS13154.mzML; RAW_FILE_NAME(Raw file name nagavitive ion repeat1)=NA; RAW_FILE_NAME(Raw file name nagavitive ion repeat2)=NA SUBJECT_SAMPLE_FACTORS SIRS S292 CS13157 Sample source:blood | Group:SIRS | Timepoint:-2 Batch=B3; RAW_FILE_NAME(Raw file name nagavitive ion)=200807-NEG-552-CS13157.mzML; RAW_FILE_NAME(Raw file name positive ion)=200807-POS-552-CS13157.mzML; RAW_FILE_NAME(Raw file name nagavitive ion repeat1)=NA; RAW_FILE_NAME(Raw file name nagavitive ion repeat2)=NA SUBJECT_SAMPLE_FACTORS SIRS S266 CS13184 Sample source:blood | Group:SIRS | Timepoint:-2 Batch=B2; RAW_FILE_NAME(Raw file name nagavitive ion)=200730-NEG-262-CS13184.mzML; RAW_FILE_NAME(Raw file name positive ion)=200730-POS-262-CS13184.mzML; RAW_FILE_NAME(Raw file name nagavitive ion repeat1)=200730-NEG-262-CS13184_20200802223915.mzML; RAW_FILE_NAME(Raw file name nagavitive ion repeat2)=200730-NEG-262-CS13184_20200803163238.mzML SUBJECT_SAMPLE_FACTORS SIRS S269 CS13187 Sample source:blood | Group:SIRS | Timepoint:-2 Batch=B1; RAW_FILE_NAME(Raw file name nagavitive ion)=200724-NEG-029-CS13187.mzML; RAW_FILE_NAME(Raw file name positive ion)=200724-POS-029-CS13187.mzML; RAW_FILE_NAME(Raw file name nagavitive ion repeat1)=NA; RAW_FILE_NAME(Raw file name nagavitive ion repeat2)=NA SUBJECT_SAMPLE_FACTORS SIRS S144 CS13235 Sample source:blood | Group:SIRS | Timepoint:-2 Batch=B2; RAW_FILE_NAME(Raw file name nagavitive ion)=200730-NEG-390-CS13235.mzML; RAW_FILE_NAME(Raw file name positive ion)=200730-POS-390-CS13235.mzML; RAW_FILE_NAME(Raw file name nagavitive ion repeat1)=NA; RAW_FILE_NAME(Raw file name nagavitive ion repeat2)=NA SUBJECT_SAMPLE_FACTORS SIRS S207 CS12997 Sample source:blood | Group:SIRS | Timepoint:-3 Batch=B3; RAW_FILE_NAME(Raw file name nagavitive ion)=200807-NEG-569-CS12997.mzML; RAW_FILE_NAME(Raw file name positive ion)=200807-POS-569-CS12997.mzML; RAW_FILE_NAME(Raw file name nagavitive ion repeat1)=NA; RAW_FILE_NAME(Raw file name nagavitive ion repeat2)=NA SUBJECT_SAMPLE_FACTORS SIRS S217 CS13021 Sample source:blood | Group:SIRS | Timepoint:-3 Batch=B1; RAW_FILE_NAME(Raw file name nagavitive ion)=200724-NEG-183-CS13021.mzML; RAW_FILE_NAME(Raw file name positive ion)=200724-POS-183-CS13021.mzML; RAW_FILE_NAME(Raw file name nagavitive ion repeat1)=NA; RAW_FILE_NAME(Raw file name nagavitive ion repeat2)=NA SUBJECT_SAMPLE_FACTORS SIRS S195 CS13024 Sample source:blood | Group:SIRS | Timepoint:-3 Batch=B1; RAW_FILE_NAME(Raw file name nagavitive ion)=200724-NEG-090-CS13024.mzML; RAW_FILE_NAME(Raw file name positive ion)=200724-POS-090-CS13024.mzML; RAW_FILE_NAME(Raw file name nagavitive ion repeat1)=NA; RAW_FILE_NAME(Raw file name nagavitive ion repeat2)=NA SUBJECT_SAMPLE_FACTORS SIRS S257 CS13085 Sample source:blood | Group:SIRS | Timepoint:-3 Batch=B2; RAW_FILE_NAME(Raw file name nagavitive ion)=200730-NEG-376-CS13085.mzML; RAW_FILE_NAME(Raw file name positive ion)=200730-POS-376-CS13085.mzML; RAW_FILE_NAME(Raw file name nagavitive ion repeat1)=NA; RAW_FILE_NAME(Raw file name nagavitive ion repeat2)=NA SUBJECT_SAMPLE_FACTORS SIRS S197 CS13118 Sample source:blood | Group:SIRS | Timepoint:-3 Batch=B1; RAW_FILE_NAME(Raw file name nagavitive ion)=200724-NEG-169-CS13118.mzML; RAW_FILE_NAME(Raw file name positive ion)=200724-POS-169-CS13118.mzML; RAW_FILE_NAME(Raw file name nagavitive ion repeat1)=NA; RAW_FILE_NAME(Raw file name nagavitive ion repeat2)=NA SUBJECT_SAMPLE_FACTORS SIRS S238 CS13121 Sample source:blood | Group:SIRS | Timepoint:-3 Batch=B3; RAW_FILE_NAME(Raw file name nagavitive ion)=200807-NEG-558-CS13121.mzML; RAW_FILE_NAME(Raw file name positive ion)=200807-POS-558-CS13121.mzML; RAW_FILE_NAME(Raw file name nagavitive ion repeat1)=NA; RAW_FILE_NAME(Raw file name nagavitive ion repeat2)=NA SUBJECT_SAMPLE_FACTORS SIRS S246 CS13124 Sample source:blood | Group:SIRS | Timepoint:-3 Batch=B2; RAW_FILE_NAME(Raw file name nagavitive ion)=200730-NEG-243-CS13124.mzML; RAW_FILE_NAME(Raw file name positive ion)=200730-POS-243-CS13124.mzML; RAW_FILE_NAME(Raw file name nagavitive ion repeat1)=NA; RAW_FILE_NAME(Raw file name nagavitive ion repeat2)=NA SUBJECT_SAMPLE_FACTORS SIRS S250 CS13127 Sample source:blood | Group:SIRS | Timepoint:-3 Batch=B3; RAW_FILE_NAME(Raw file name nagavitive ion)=200807-NEG-481-CS13127.mzML; RAW_FILE_NAME(Raw file name positive ion)=200807-POS-481-CS13127.mzML; RAW_FILE_NAME(Raw file name nagavitive ion repeat1)=NA; RAW_FILE_NAME(Raw file name nagavitive ion repeat2)=NA SUBJECT_SAMPLE_FACTORS SIRS S260 CS13130 Sample source:blood | Group:SIRS | Timepoint:-3 Batch=B3; RAW_FILE_NAME(Raw file name nagavitive ion)=200807-NEG-542-CS13130.mzML; RAW_FILE_NAME(Raw file name positive ion)=200807-POS-542-CS13130.mzML; RAW_FILE_NAME(Raw file name nagavitive ion repeat1)=NA; RAW_FILE_NAME(Raw file name nagavitive ion repeat2)=NA SUBJECT_SAMPLE_FACTORS SIRS S261 CS13133 Sample source:blood | Group:SIRS | Timepoint:-3 Batch=B2; RAW_FILE_NAME(Raw file name nagavitive ion)=200730-NEG-407-CS13133.mzML; RAW_FILE_NAME(Raw file name positive ion)=200730-POS-407-CS13133.mzML; RAW_FILE_NAME(Raw file name nagavitive ion repeat1)=NA; RAW_FILE_NAME(Raw file name nagavitive ion repeat2)=NA SUBJECT_SAMPLE_FACTORS SIRS S262 CS13136 Sample source:blood | Group:SIRS | Timepoint:-3 Batch=B1; RAW_FILE_NAME(Raw file name nagavitive ion)=200724-NEG-050-CS13136.mzML; RAW_FILE_NAME(Raw file name positive ion)=200724-POS-050-CS13136.mzML; RAW_FILE_NAME(Raw file name nagavitive ion repeat1)=NA; RAW_FILE_NAME(Raw file name nagavitive ion repeat2)=NA SUBJECT_SAMPLE_FACTORS SIRS S264 CS13139 Sample source:blood | Group:SIRS | Timepoint:-3 Batch=B1; RAW_FILE_NAME(Raw file name nagavitive ion)=200724-NEG-086-CS13139.mzML; RAW_FILE_NAME(Raw file name positive ion)=200724-POS-086-CS13139.mzML; RAW_FILE_NAME(Raw file name nagavitive ion repeat1)=NA; RAW_FILE_NAME(Raw file name nagavitive ion repeat2)=NA SUBJECT_SAMPLE_FACTORS SIRS S278 CS13142 Sample source:blood | Group:SIRS | Timepoint:-3 Batch=B1; RAW_FILE_NAME(Raw file name nagavitive ion)=200724-NEG-065-CS13142.mzML; RAW_FILE_NAME(Raw file name positive ion)=200724-POS-065-CS13142.mzML; RAW_FILE_NAME(Raw file name nagavitive ion repeat1)=NA; RAW_FILE_NAME(Raw file name nagavitive ion repeat2)=NA SUBJECT_SAMPLE_FACTORS SIRS S034 CS13172 Sample source:blood | Group:SIRS | Timepoint:-3 Batch=B3; RAW_FILE_NAME(Raw file name nagavitive ion)=200807-NEG-528-CS13172.mzML; RAW_FILE_NAME(Raw file name positive ion)=200807-POS-528-CS13172.mzML; RAW_FILE_NAME(Raw file name nagavitive ion repeat1)=NA; RAW_FILE_NAME(Raw file name nagavitive ion repeat2)=NA SUBJECT_SAMPLE_FACTORS SIRS S119 CS13190 Sample source:blood | Group:SIRS | Timepoint:-3 Batch=B3; RAW_FILE_NAME(Raw file name nagavitive ion)=200807-NEG-489-CS13190.mzML; RAW_FILE_NAME(Raw file name positive ion)=200807-POS-489-CS13190.mzML; RAW_FILE_NAME(Raw file name nagavitive ion repeat1)=NA; RAW_FILE_NAME(Raw file name nagavitive ion repeat2)=NA SUBJECT_SAMPLE_FACTORS SIRS S122 CS13223 Sample source:blood | Group:SIRS | Timepoint:-3 Batch=B1; RAW_FILE_NAME(Raw file name nagavitive ion)=200724-NEG-132-CS13223.mzML; RAW_FILE_NAME(Raw file name positive ion)=200724-POS-132-CS13223.mzML; RAW_FILE_NAME(Raw file name nagavitive ion repeat1)=NA; RAW_FILE_NAME(Raw file name nagavitive ion repeat2)=NA SUBJECT_SAMPLE_FACTORS SIRS S140 CS13226 Sample source:blood | Group:SIRS | Timepoint:-3 Batch=B2; RAW_FILE_NAME(Raw file name nagavitive ion)=200730-NEG-283-CS13226.mzML; RAW_FILE_NAME(Raw file name positive ion)=200730-POS-283-CS13226.mzML; RAW_FILE_NAME(Raw file name nagavitive ion repeat1)=NA; RAW_FILE_NAME(Raw file name nagavitive ion repeat2)=NA SUBJECT_SAMPLE_FACTORS SIRS S146 CS13229 Sample source:blood | Group:SIRS | Timepoint:-3 Batch=B1; RAW_FILE_NAME(Raw file name nagavitive ion)=200724-NEG-127-CS13229.mzML; RAW_FILE_NAME(Raw file name positive ion)=200724-POS-127-CS13229.mzML; RAW_FILE_NAME(Raw file name nagavitive ion repeat1)=NA; RAW_FILE_NAME(Raw file name nagavitive ion repeat2)=NA SUBJECT_SAMPLE_FACTORS SIRS S129 CS13232 Sample source:blood | Group:SIRS | Timepoint:-3 Batch=B1; RAW_FILE_NAME(Raw file name nagavitive ion)=200724-NEG-107-CS13232.mzML; RAW_FILE_NAME(Raw file name positive ion)=200724-POS-107-CS13232.mzML; RAW_FILE_NAME(Raw file name nagavitive ion repeat1)=NA; RAW_FILE_NAME(Raw file name nagavitive ion repeat2)=NA SUBJECT_SAMPLE_FACTORS SIRS S179 CS13259 Sample source:blood | Group:SIRS | Timepoint:-3 Batch=B2; RAW_FILE_NAME(Raw file name nagavitive ion)=200730-NEG-245-CS13259.mzML; RAW_FILE_NAME(Raw file name positive ion)=200730-POS-245-CS13259.mzML; RAW_FILE_NAME(Raw file name nagavitive ion repeat1)=NA; RAW_FILE_NAME(Raw file name nagavitive ion repeat2)=NA SUBJECT_SAMPLE_FACTORS SIRS S215 CS13292 Sample source:blood | Group:SIRS | Timepoint:-3 Batch=B1; RAW_FILE_NAME(Raw file name nagavitive ion)=200724-NEG-018-CS13292.mzML; RAW_FILE_NAME(Raw file name positive ion)=200724-POS-018-CS13292.mzML; RAW_FILE_NAME(Raw file name nagavitive ion repeat1)=NA; RAW_FILE_NAME(Raw file name nagavitive ion repeat2)=NA SUBJECT_SAMPLE_FACTORS SIRS S193 CS13295 Sample source:blood | Group:SIRS | Timepoint:-3 Batch=B2; RAW_FILE_NAME(Raw file name nagavitive ion)=200730-NEG-295-CS13295.mzML; RAW_FILE_NAME(Raw file name positive ion)=200730-POS-295-CS13295.mzML; RAW_FILE_NAME(Raw file name nagavitive ion repeat1)=NA; RAW_FILE_NAME(Raw file name nagavitive ion repeat2)=NA SUBJECT_SAMPLE_FACTORS SIRS S086 CS13340 Sample source:blood | Group:SIRS | Timepoint:-3 Batch=B2; RAW_FILE_NAME(Raw file name nagavitive ion)=200730-NEG-328-CS13340.mzML; RAW_FILE_NAME(Raw file name positive ion)=200730-POS-328-CS13340.mzML; RAW_FILE_NAME(Raw file name nagavitive ion repeat1)=NA; RAW_FILE_NAME(Raw file name nagavitive ion repeat2)=NA SUBJECT_SAMPLE_FACTORS SIRS S010 CS13346 Sample source:blood | Group:SIRS | Timepoint:-3 Batch=B1; RAW_FILE_NAME(Raw file name nagavitive ion)=200724-NEG-153-CS13346.mzML; RAW_FILE_NAME(Raw file name positive ion)=200724-POS-153-CS13346.mzML; RAW_FILE_NAME(Raw file name nagavitive ion repeat1)=NA; RAW_FILE_NAME(Raw file name nagavitive ion repeat2)=NA SUBJECT_SAMPLE_FACTORS SIRS S060 CS13349 Sample source:blood | Group:SIRS | Timepoint:-3 Batch=B1; RAW_FILE_NAME(Raw file name nagavitive ion)=200724-NEG-134-CS13349.mzML; RAW_FILE_NAME(Raw file name positive ion)=200724-POS-134-CS13349.mzML; RAW_FILE_NAME(Raw file name nagavitive ion repeat1)=NA; RAW_FILE_NAME(Raw file name nagavitive ion repeat2)=NA SUBJECT_SAMPLE_FACTORS SIRS S094 CS13352 Sample source:blood | Group:SIRS | Timepoint:-3 Batch=B2; RAW_FILE_NAME(Raw file name nagavitive ion)=200730-NEG-277-CS13352.mzML; RAW_FILE_NAME(Raw file name positive ion)=200730-POS-277-CS13352.mzML; RAW_FILE_NAME(Raw file name nagavitive ion repeat1)=NA; RAW_FILE_NAME(Raw file name nagavitive ion repeat2)=NA SUBJECT_SAMPLE_FACTORS SIRS S033 CS13355 Sample source:blood | Group:SIRS | Timepoint:-3 Batch=B2; RAW_FILE_NAME(Raw file name nagavitive ion)=200730-NEG-396-CS13355.mzML; RAW_FILE_NAME(Raw file name positive ion)=200730-POS-396-CS13355.mzML; RAW_FILE_NAME(Raw file name nagavitive ion repeat1)=NA; RAW_FILE_NAME(Raw file name nagavitive ion repeat2)=NA SUBJECT_SAMPLE_FACTORS SIRS S041 & SIRS S087 CS13358 Sample source:blood | Group:SIRS | Timepoint:-3 Batch=B1; RAW_FILE_NAME(Raw file name nagavitive ion)=200724-NEG-166-CS13358.mzML; RAW_FILE_NAME(Raw file name positive ion)=200724-POS-166-CS13358.mzML; RAW_FILE_NAME(Raw file name nagavitive ion repeat1)=NA; RAW_FILE_NAME(Raw file name nagavitive ion repeat2)=NA SUBJECT_SAMPLE_FACTORS SIRS S058 CS13361 Sample source:blood | Group:SIRS | Timepoint:-3 Batch=B2; RAW_FILE_NAME(Raw file name nagavitive ion)=200730-NEG-382-CS13361.mzML; RAW_FILE_NAME(Raw file name positive ion)=200730-POS-382-CS13361.mzML; RAW_FILE_NAME(Raw file name nagavitive ion repeat1)=NA; RAW_FILE_NAME(Raw file name nagavitive ion repeat2)=NA SUBJECT_SAMPLE_FACTORS SIRS S039 CS13364 Sample source:blood | Group:SIRS | Timepoint:-3 Batch=B2; RAW_FILE_NAME(Raw file name nagavitive ion)=200730-NEG-267-CS13364.mzML; RAW_FILE_NAME(Raw file name positive ion)=200730-POS-267-CS13364.mzML; RAW_FILE_NAME(Raw file name nagavitive ion repeat1)=NA; RAW_FILE_NAME(Raw file name nagavitive ion repeat2)=NA SUBJECT_SAMPLE_FACTORS SIRS S050 CS13367 Sample source:blood | Group:SIRS | Timepoint:-3 Batch=B3; RAW_FILE_NAME(Raw file name nagavitive ion)=200807-NEG-536-CS13367.mzML; RAW_FILE_NAME(Raw file name positive ion)=200807-POS-536-CS13367.mzML; RAW_FILE_NAME(Raw file name nagavitive ion repeat1)=NA; RAW_FILE_NAME(Raw file name nagavitive ion repeat2)=NA SUBJECT_SAMPLE_FACTORS SIRS S062 CS13370 Sample source:blood | Group:SIRS | Timepoint:-3 Batch=B1; RAW_FILE_NAME(Raw file name nagavitive ion)=200724-NEG-025-CS13370.mzML; RAW_FILE_NAME(Raw file name positive ion)=200724-POS-025-CS13370.mzML; RAW_FILE_NAME(Raw file name nagavitive ion repeat1)=NA; RAW_FILE_NAME(Raw file name nagavitive ion repeat2)=NA SUBJECT_SAMPLE_FACTORS SIRS S207 CS12996 Sample source:blood | Group:SIRS | Timepoint:Pre Batch=B3; RAW_FILE_NAME(Raw file name nagavitive ion)=200807-NEG-571-CS12996.mzML; RAW_FILE_NAME(Raw file name positive ion)=200807-POS-571-CS12996.mzML; RAW_FILE_NAME(Raw file name nagavitive ion repeat1)=NA; RAW_FILE_NAME(Raw file name nagavitive ion repeat2)=NA SUBJECT_SAMPLE_FACTORS SIRS S217 CS13020 Sample source:blood | Group:SIRS | Timepoint:Pre Batch=B1; RAW_FILE_NAME(Raw file name nagavitive ion)=200724-NEG-184-CS13020.mzML; RAW_FILE_NAME(Raw file name positive ion)=200724-POS-184-CS13020.mzML; RAW_FILE_NAME(Raw file name nagavitive ion repeat1)=NA; RAW_FILE_NAME(Raw file name nagavitive ion repeat2)=NA SUBJECT_SAMPLE_FACTORS SIRS S195 CS13023 Sample source:blood | Group:SIRS | Timepoint:Pre Batch=B1; RAW_FILE_NAME(Raw file name nagavitive ion)=200724-NEG-089-CS13023.mzML; RAW_FILE_NAME(Raw file name positive ion)=200724-POS-089-CS13023.mzML; RAW_FILE_NAME(Raw file name nagavitive ion repeat1)=NA; RAW_FILE_NAME(Raw file name nagavitive ion repeat2)=NA SUBJECT_SAMPLE_FACTORS SIRS S257 CS13084 Sample source:blood | Group:SIRS | Timepoint:Pre Batch=B2; RAW_FILE_NAME(Raw file name nagavitive ion)=200730-NEG-375-CS13084.mzML; RAW_FILE_NAME(Raw file name positive ion)=200730-POS-375-CS13084.mzML; RAW_FILE_NAME(Raw file name nagavitive ion repeat1)=NA; RAW_FILE_NAME(Raw file name nagavitive ion repeat2)=NA SUBJECT_SAMPLE_FACTORS SIRS S197 CS13117 Sample source:blood | Group:SIRS | Timepoint:Pre Batch=B1; RAW_FILE_NAME(Raw file name nagavitive ion)=200724-NEG-168-CS13117.mzML; RAW_FILE_NAME(Raw file name positive ion)=200724-POS-168-CS13117.mzML; RAW_FILE_NAME(Raw file name nagavitive ion repeat1)=NA; RAW_FILE_NAME(Raw file name nagavitive ion repeat2)=NA SUBJECT_SAMPLE_FACTORS SIRS S238 CS13120 Sample source:blood | Group:SIRS | Timepoint:Pre Batch=B3; RAW_FILE_NAME(Raw file name nagavitive ion)=200807-NEG-560-CS13120.mzML; RAW_FILE_NAME(Raw file name positive ion)=200807-POS-560-CS13120.mzML; RAW_FILE_NAME(Raw file name nagavitive ion repeat1)=NA; RAW_FILE_NAME(Raw file name nagavitive ion repeat2)=NA SUBJECT_SAMPLE_FACTORS SIRS S246 CS13123 Sample source:blood | Group:SIRS | Timepoint:Pre Batch=B2; RAW_FILE_NAME(Raw file name nagavitive ion)=200730-NEG-241-CS13123.mzML; RAW_FILE_NAME(Raw file name positive ion)=200730-POS-241-CS13123.mzML; RAW_FILE_NAME(Raw file name nagavitive ion repeat1)=NA; RAW_FILE_NAME(Raw file name nagavitive ion repeat2)=NA SUBJECT_SAMPLE_FACTORS SIRS S250 CS13126 Sample source:blood | Group:SIRS | Timepoint:Pre Batch=B3; RAW_FILE_NAME(Raw file name nagavitive ion)=200807-NEG-482-CS13126.mzML; RAW_FILE_NAME(Raw file name positive ion)=200807-POS-482-CS13126.mzML; RAW_FILE_NAME(Raw file name nagavitive ion repeat1)=NA; RAW_FILE_NAME(Raw file name nagavitive ion repeat2)=NA SUBJECT_SAMPLE_FACTORS SIRS S260 CS13129 Sample source:blood | Group:SIRS | Timepoint:Pre Batch=B3; RAW_FILE_NAME(Raw file name nagavitive ion)=200807-NEG-541-CS13129.mzML; RAW_FILE_NAME(Raw file name positive ion)=200807-POS-541-CS13129.mzML; RAW_FILE_NAME(Raw file name nagavitive ion repeat1)=NA; RAW_FILE_NAME(Raw file name nagavitive ion repeat2)=NA SUBJECT_SAMPLE_FACTORS SIRS S261 CS13132 Sample source:blood | Group:SIRS | Timepoint:Pre Batch=B2; RAW_FILE_NAME(Raw file name nagavitive ion)=200730-NEG-406-CS13132.mzML; RAW_FILE_NAME(Raw file name positive ion)=200730-POS-406-CS13132.mzML; RAW_FILE_NAME(Raw file name nagavitive ion repeat1)=NA; RAW_FILE_NAME(Raw file name nagavitive ion repeat2)=NA SUBJECT_SAMPLE_FACTORS SIRS S262 CS13135 Sample source:blood | Group:SIRS | Timepoint:Pre Batch=B1; RAW_FILE_NAME(Raw file name nagavitive ion)=200724-NEG-049-CS13135.mzML; RAW_FILE_NAME(Raw file name positive ion)=200724-POS-049-CS13135.mzML; RAW_FILE_NAME(Raw file name nagavitive ion repeat1)=NA; RAW_FILE_NAME(Raw file name nagavitive ion repeat2)=NA SUBJECT_SAMPLE_FACTORS SIRS S264 CS13138 Sample source:blood | Group:SIRS | Timepoint:Pre Batch=B1; RAW_FILE_NAME(Raw file name nagavitive ion)=200724-NEG-085-CS13138.mzML; RAW_FILE_NAME(Raw file name positive ion)=200724-POS-085-CS13138.mzML; RAW_FILE_NAME(Raw file name nagavitive ion repeat1)=NA; RAW_FILE_NAME(Raw file name nagavitive ion repeat2)=NA SUBJECT_SAMPLE_FACTORS SIRS S278 CS13141 Sample source:blood | Group:SIRS | Timepoint:Pre Batch=B1; RAW_FILE_NAME(Raw file name nagavitive ion)=200724-NEG-064-CS13141.mzML; RAW_FILE_NAME(Raw file name positive ion)=200724-POS-064-CS13141.mzML; RAW_FILE_NAME(Raw file name nagavitive ion repeat1)=NA; RAW_FILE_NAME(Raw file name nagavitive ion repeat2)=NA SUBJECT_SAMPLE_FACTORS SIRS S281 CS13144 Sample source:blood | Group:SIRS | Timepoint:Pre Batch=B2; RAW_FILE_NAME(Raw file name nagavitive ion)=200730-NEG-273-CS13144.mzML; RAW_FILE_NAME(Raw file name positive ion)=200730-POS-273-CS13144.mzML; RAW_FILE_NAME(Raw file name nagavitive ion repeat1)=NA; RAW_FILE_NAME(Raw file name nagavitive ion repeat2)=NA SUBJECT_SAMPLE_FACTORS SIRS S283 CS13150 Sample source:blood | Group:SIRS | Timepoint:Pre Batch=B2; RAW_FILE_NAME(Raw file name nagavitive ion)=200730-NEG-371-CS13150.mzML; RAW_FILE_NAME(Raw file name positive ion)=200730-POS-371-CS13150.mzML; RAW_FILE_NAME(Raw file name nagavitive ion repeat1)=NA; RAW_FILE_NAME(Raw file name nagavitive ion repeat2)=NA SUBJECT_SAMPLE_FACTORS SIRS S284 CS13153 Sample source:blood | Group:SIRS | Timepoint:Pre Batch=B1; RAW_FILE_NAME(Raw file name nagavitive ion)=200724-NEG-173-CS13153.mzML; RAW_FILE_NAME(Raw file name positive ion)=200724-POS-173-CS13153.mzML; RAW_FILE_NAME(Raw file name nagavitive ion repeat1)=NA; RAW_FILE_NAME(Raw file name nagavitive ion repeat2)=NA SUBJECT_SAMPLE_FACTORS SIRS S292 CS13156 Sample source:blood | Group:SIRS | Timepoint:Pre Batch=B3; RAW_FILE_NAME(Raw file name nagavitive ion)=200807-NEG-551-CS13156.mzML; RAW_FILE_NAME(Raw file name positive ion)=200807-POS-551-CS13156.mzML; RAW_FILE_NAME(Raw file name nagavitive ion repeat1)=NA; RAW_FILE_NAME(Raw file name nagavitive ion repeat2)=NA SUBJECT_SAMPLE_FACTORS SIRS S034 CS13171 Sample source:blood | Group:SIRS | Timepoint:Pre Batch=B3; RAW_FILE_NAME(Raw file name nagavitive ion)=200807-NEG-527-CS13171.mzML; RAW_FILE_NAME(Raw file name positive ion)=200807-POS-527-CS13171.mzML; RAW_FILE_NAME(Raw file name nagavitive ion repeat1)=NA; RAW_FILE_NAME(Raw file name nagavitive ion repeat2)=NA SUBJECT_SAMPLE_FACTORS SIRS S266 CS13183 Sample source:blood | Group:SIRS | Timepoint:Pre Batch=B2; RAW_FILE_NAME(Raw file name nagavitive ion)=200730-NEG-263-CS13183.mzML; RAW_FILE_NAME(Raw file name positive ion)=200730-POS-263-CS13183.mzML; RAW_FILE_NAME(Raw file name nagavitive ion repeat1)=200730-NEG-263-CS13183_20200802225504.mzML; RAW_FILE_NAME(Raw file name nagavitive ion repeat2)=200730-NEG-263-CS13183_20200803164826.mzML SUBJECT_SAMPLE_FACTORS SIRS S269 CS13186 Sample source:blood | Group:SIRS | Timepoint:Pre Batch=B1; RAW_FILE_NAME(Raw file name nagavitive ion)=200724-NEG-028-CS13186.mzML; RAW_FILE_NAME(Raw file name positive ion)=200724-POS-028-CS13186.mzML; RAW_FILE_NAME(Raw file name nagavitive ion repeat1)=NA; RAW_FILE_NAME(Raw file name nagavitive ion repeat2)=NA SUBJECT_SAMPLE_FACTORS SIRS S119 CS13189 Sample source:blood | Group:SIRS | Timepoint:Pre Batch=B3; RAW_FILE_NAME(Raw file name nagavitive ion)=200807-NEG-488-CS13189.mzML; RAW_FILE_NAME(Raw file name positive ion)=200807-POS-488-CS13189.mzML; RAW_FILE_NAME(Raw file name nagavitive ion repeat1)=NA; RAW_FILE_NAME(Raw file name nagavitive ion repeat2)=NA SUBJECT_SAMPLE_FACTORS SIRS S122 CS13222 Sample source:blood | Group:SIRS | Timepoint:Pre Batch=B1; RAW_FILE_NAME(Raw file name nagavitive ion)=200724-NEG-130-CS13222.mzML; RAW_FILE_NAME(Raw file name positive ion)=200724-POS-130-CS13222.mzML; RAW_FILE_NAME(Raw file name nagavitive ion repeat1)=NA; RAW_FILE_NAME(Raw file name nagavitive ion repeat2)=NA SUBJECT_SAMPLE_FACTORS SIRS S140 CS13225 Sample source:blood | Group:SIRS | Timepoint:Pre Batch=B2; RAW_FILE_NAME(Raw file name nagavitive ion)=200730-NEG-284-CS13225.mzML; RAW_FILE_NAME(Raw file name positive ion)=200730-POS-284-CS13225.mzML; RAW_FILE_NAME(Raw file name nagavitive ion repeat1)=NA; RAW_FILE_NAME(Raw file name nagavitive ion repeat2)=NA SUBJECT_SAMPLE_FACTORS SIRS S146 CS13228 Sample source:blood | Group:SIRS | Timepoint:Pre Batch=B1; RAW_FILE_NAME(Raw file name nagavitive ion)=200724-NEG-128-CS13228.mzML; RAW_FILE_NAME(Raw file name positive ion)=200724-POS-128-CS13228.mzML; RAW_FILE_NAME(Raw file name nagavitive ion repeat1)=NA; RAW_FILE_NAME(Raw file name nagavitive ion repeat2)=NA SUBJECT_SAMPLE_FACTORS SIRS S129 CS13231 Sample source:blood | Group:SIRS | Timepoint:Pre Batch=B1; RAW_FILE_NAME(Raw file name nagavitive ion)=200724-NEG-105-CS13231.mzML; RAW_FILE_NAME(Raw file name positive ion)=200724-POS-105-CS13231.mzML; RAW_FILE_NAME(Raw file name nagavitive ion repeat1)=NA; RAW_FILE_NAME(Raw file name nagavitive ion repeat2)=NA SUBJECT_SAMPLE_FACTORS SIRS S144 CS13234 Sample source:blood | Group:SIRS | Timepoint:Pre Batch=B2; RAW_FILE_NAME(Raw file name nagavitive ion)=200730-NEG-388-CS13234.mzML; RAW_FILE_NAME(Raw file name positive ion)=200730-POS-388-CS13234.mzML; RAW_FILE_NAME(Raw file name nagavitive ion repeat1)=NA; RAW_FILE_NAME(Raw file name nagavitive ion repeat2)=NA SUBJECT_SAMPLE_FACTORS SIRS S179 CS13258 Sample source:blood | Group:SIRS | Timepoint:Pre Batch=B2; RAW_FILE_NAME(Raw file name nagavitive ion)=200730-NEG-244-CS13258.mzML; RAW_FILE_NAME(Raw file name positive ion)=200730-POS-244-CS13258.mzML; RAW_FILE_NAME(Raw file name nagavitive ion repeat1)=NA; RAW_FILE_NAME(Raw file name nagavitive ion repeat2)=NA SUBJECT_SAMPLE_FACTORS SIRS S215 CS13291 Sample source:blood | Group:SIRS | Timepoint:Pre Batch=B1; RAW_FILE_NAME(Raw file name nagavitive ion)=200724-NEG-019-CS13291.mzML; RAW_FILE_NAME(Raw file name positive ion)=200724-POS-019-CS13291.mzML; RAW_FILE_NAME(Raw file name nagavitive ion repeat1)=NA; RAW_FILE_NAME(Raw file name nagavitive ion repeat2)=NA SUBJECT_SAMPLE_FACTORS SIRS S193 CS13294 Sample source:blood | Group:SIRS | Timepoint:Pre Batch=B2; RAW_FILE_NAME(Raw file name nagavitive ion)=200730-NEG-293-CS13294.mzML; RAW_FILE_NAME(Raw file name positive ion)=200730-POS-293-CS13294.mzML; RAW_FILE_NAME(Raw file name nagavitive ion repeat1)=NA; RAW_FILE_NAME(Raw file name nagavitive ion repeat2)=NA SUBJECT_SAMPLE_FACTORS SIRS S086 CS13339 Sample source:blood | Group:SIRS | Timepoint:Pre Batch=B2; RAW_FILE_NAME(Raw file name nagavitive ion)=200730-NEG-330-CS13339.mzML; RAW_FILE_NAME(Raw file name positive ion)=200730-POS-330-CS13339.mzML; RAW_FILE_NAME(Raw file name nagavitive ion repeat1)=NA; RAW_FILE_NAME(Raw file name nagavitive ion repeat2)=NA SUBJECT_SAMPLE_FACTORS SIRS S010 CS13345 Sample source:blood | Group:SIRS | Timepoint:Pre Batch=B1; RAW_FILE_NAME(Raw file name nagavitive ion)=200724-NEG-152-CS13345.mzML; RAW_FILE_NAME(Raw file name positive ion)=200724-POS-152-CS13345.mzML; RAW_FILE_NAME(Raw file name nagavitive ion repeat1)=NA; RAW_FILE_NAME(Raw file name nagavitive ion repeat2)=NA SUBJECT_SAMPLE_FACTORS SIRS S060 CS13348 Sample source:blood | Group:SIRS | Timepoint:Pre Batch=B1; RAW_FILE_NAME(Raw file name nagavitive ion)=200724-NEG-133-CS13348.mzML; RAW_FILE_NAME(Raw file name positive ion)=200724-POS-133-CS13348.mzML; RAW_FILE_NAME(Raw file name nagavitive ion repeat1)=NA; RAW_FILE_NAME(Raw file name nagavitive ion repeat2)=NA SUBJECT_SAMPLE_FACTORS SIRS S094 CS13351 Sample source:blood | Group:SIRS | Timepoint:Pre Batch=B2; RAW_FILE_NAME(Raw file name nagavitive ion)=200730-NEG-276-CS13351.mzML; RAW_FILE_NAME(Raw file name positive ion)=200730-POS-276-CS13351.mzML; RAW_FILE_NAME(Raw file name nagavitive ion repeat1)=NA; RAW_FILE_NAME(Raw file name nagavitive ion repeat2)=NA SUBJECT_SAMPLE_FACTORS SIRS S033 CS13354 Sample source:blood | Group:SIRS | Timepoint:Pre Batch=B2; RAW_FILE_NAME(Raw file name nagavitive ion)=200730-NEG-395-CS13354.mzML; RAW_FILE_NAME(Raw file name positive ion)=200730-POS-395-CS13354.mzML; RAW_FILE_NAME(Raw file name nagavitive ion repeat1)=NA; RAW_FILE_NAME(Raw file name nagavitive ion repeat2)=NA SUBJECT_SAMPLE_FACTORS SIRS S041 & SIRS S087 CS13357 Sample source:blood | Group:SIRS | Timepoint:Pre Batch=B1; RAW_FILE_NAME(Raw file name nagavitive ion)=200724-NEG-167-CS13357.mzML; RAW_FILE_NAME(Raw file name positive ion)=200724-POS-167-CS13357.mzML; RAW_FILE_NAME(Raw file name nagavitive ion repeat1)=NA; RAW_FILE_NAME(Raw file name nagavitive ion repeat2)=NA SUBJECT_SAMPLE_FACTORS SIRS S058 CS13360 Sample source:blood | Group:SIRS | Timepoint:Pre Batch=B2; RAW_FILE_NAME(Raw file name nagavitive ion)=200730-NEG-381-CS13360.mzML; RAW_FILE_NAME(Raw file name positive ion)=200730-POS-381-CS13360.mzML; RAW_FILE_NAME(Raw file name nagavitive ion repeat1)=NA; RAW_FILE_NAME(Raw file name nagavitive ion repeat2)=NA SUBJECT_SAMPLE_FACTORS SIRS S039 CS13363 Sample source:blood | Group:SIRS | Timepoint:Pre Batch=B2; RAW_FILE_NAME(Raw file name nagavitive ion)=200730-NEG-266-CS13363.mzML; RAW_FILE_NAME(Raw file name positive ion)=200730-POS-266-CS13363.mzML; RAW_FILE_NAME(Raw file name nagavitive ion repeat1)=NA; RAW_FILE_NAME(Raw file name nagavitive ion repeat2)=NA SUBJECT_SAMPLE_FACTORS SIRS S050 CS13366 Sample source:blood | Group:SIRS | Timepoint:Pre Batch=B3; RAW_FILE_NAME(Raw file name nagavitive ion)=200807-NEG-534-CS13366.mzML; RAW_FILE_NAME(Raw file name positive ion)=200807-POS-534-CS13366.mzML; RAW_FILE_NAME(Raw file name nagavitive ion repeat1)=NA; RAW_FILE_NAME(Raw file name nagavitive ion repeat2)=NA SUBJECT_SAMPLE_FACTORS SIRS S062 CS13369 Sample source:blood | Group:SIRS | Timepoint:Pre Batch=B1; RAW_FILE_NAME(Raw file name nagavitive ion)=200724-NEG-026-CS13369.mzML; RAW_FILE_NAME(Raw file name positive ion)=200724-POS-026-CS13369.mzML; RAW_FILE_NAME(Raw file name nagavitive ion repeat1)=NA; RAW_FILE_NAME(Raw file name nagavitive ion repeat2)=NA SUBJECT_SAMPLE_FACTORS S010 CS12924 Sample source:blood | Group:Uncomplicated Infection | Timepoint:-1 Batch=B3; RAW_FILE_NAME(Raw file name nagavitive ion)=200807-NEG-516-CS12924.mzML; RAW_FILE_NAME(Raw file name positive ion)=200807-POS-516-CS12924.mzML; RAW_FILE_NAME(Raw file name nagavitive ion repeat1)=NA; RAW_FILE_NAME(Raw file name nagavitive ion repeat2)=NA SUBJECT_SAMPLE_FACTORS S033 CS12930 Sample source:blood | Group:Uncomplicated Infection | Timepoint:-1 Batch=B2; RAW_FILE_NAME(Raw file name nagavitive ion)=200730-NEG-378-CS12930.mzML; RAW_FILE_NAME(Raw file name positive ion)=200730-POS-378-CS12930.mzML; RAW_FILE_NAME(Raw file name nagavitive ion repeat1)=NA; RAW_FILE_NAME(Raw file name nagavitive ion repeat2)=NA SUBJECT_SAMPLE_FACTORS S050 CS12933 Sample source:blood | Group:Uncomplicated Infection | Timepoint:-1 Batch=B3; RAW_FILE_NAME(Raw file name nagavitive ion)=200807-NEG-459-CS12933.mzML; RAW_FILE_NAME(Raw file name positive ion)=200807-POS-459-CS12933.mzML; RAW_FILE_NAME(Raw file name nagavitive ion repeat1)=NA; RAW_FILE_NAME(Raw file name nagavitive ion repeat2)=NA SUBJECT_SAMPLE_FACTORS S060 CS12936 Sample source:blood | Group:Uncomplicated Infection | Timepoint:-1 Batch=B2; RAW_FILE_NAME(Raw file name nagavitive ion)=200730-NEG-235-CS12936.mzML; RAW_FILE_NAME(Raw file name positive ion)=200730-POS-235-CS12936.mzML; RAW_FILE_NAME(Raw file name nagavitive ion repeat1)=NA; RAW_FILE_NAME(Raw file name nagavitive ion repeat2)=NA SUBJECT_SAMPLE_FACTORS S039 CS12945 Sample source:blood | Group:Uncomplicated Infection | Timepoint:-1 Batch=B3; RAW_FILE_NAME(Raw file name nagavitive ion)=200807-NEG-500-CS12945.mzML; RAW_FILE_NAME(Raw file name positive ion)=200807-POS-500-CS12945.mzML; RAW_FILE_NAME(Raw file name nagavitive ion repeat1)=NA; RAW_FILE_NAME(Raw file name nagavitive ion repeat2)=NA SUBJECT_SAMPLE_FACTORS S070 CS12975 Sample source:blood | Group:Uncomplicated Infection | Timepoint:-1 Batch=B3; RAW_FILE_NAME(Raw file name nagavitive ion)=200807-NEG-572-CS12975.mzML; RAW_FILE_NAME(Raw file name positive ion)=200807-POS-572-CS12975.mzML; RAW_FILE_NAME(Raw file name nagavitive ion repeat1)=NA; RAW_FILE_NAME(Raw file name nagavitive ion repeat2)=NA SUBJECT_SAMPLE_FACTORS S074 CS12978 Sample source:blood | Group:Uncomplicated Infection | Timepoint:-1 Batch=B1; RAW_FILE_NAME(Raw file name nagavitive ion)=200724-NEG-023-CS12978.mzML; RAW_FILE_NAME(Raw file name positive ion)=200724-POS-023-CS12978.mzML; RAW_FILE_NAME(Raw file name nagavitive ion repeat1)=NA; RAW_FILE_NAME(Raw file name nagavitive ion repeat2)=NA SUBJECT_SAMPLE_FACTORS S062 CS12987 Sample source:blood | Group:Uncomplicated Infection | Timepoint:-1 Batch=B1; RAW_FILE_NAME(Raw file name nagavitive ion)=200724-NEG-180-CS12987.mzML; RAW_FILE_NAME(Raw file name positive ion)=200724-POS-180-CS12987.mzML; RAW_FILE_NAME(Raw file name nagavitive ion repeat1)=NA; RAW_FILE_NAME(Raw file name nagavitive ion repeat2)=NA SUBJECT_SAMPLE_FACTORS S064 CS12994 Sample source:blood | Group:Uncomplicated Infection | Timepoint:-1 Batch=B3; RAW_FILE_NAME(Raw file name nagavitive ion)=200807-NEG-580-CS12994.mzML; RAW_FILE_NAME(Raw file name positive ion)=200807-POS-580-CS12994.mzML; RAW_FILE_NAME(Raw file name nagavitive ion repeat1)=NA; RAW_FILE_NAME(Raw file name nagavitive ion repeat2)=NA SUBJECT_SAMPLE_FACTORS S249 CS13033 Sample source:blood | Group:Uncomplicated Infection | Timepoint:-1 Batch=B2; RAW_FILE_NAME(Raw file name nagavitive ion)=200730-NEG-286-CS13033.mzML; RAW_FILE_NAME(Raw file name positive ion)=200730-POS-286-CS13033.mzML; RAW_FILE_NAME(Raw file name nagavitive ion repeat1)=NA; RAW_FILE_NAME(Raw file name nagavitive ion repeat2)=NA SUBJECT_SAMPLE_FACTORS S263 CS13048 Sample source:blood | Group:Uncomplicated Infection | Timepoint:-1 Batch=B3; RAW_FILE_NAME(Raw file name nagavitive ion)=200807-NEG-492-CS13048.mzML; RAW_FILE_NAME(Raw file name positive ion)=200807-POS-492-CS13048.mzML; RAW_FILE_NAME(Raw file name nagavitive ion repeat1)=NA; RAW_FILE_NAME(Raw file name nagavitive ion repeat2)=NA SUBJECT_SAMPLE_FACTORS S281 CS13053 Sample source:blood | Group:Uncomplicated Infection | Timepoint:-1 Batch=B2; RAW_FILE_NAME(Raw file name nagavitive ion)=200730-NEG-318-CS13053.mzML; RAW_FILE_NAME(Raw file name positive ion)=200730-POS-318-CS13053.mzML; RAW_FILE_NAME(Raw file name nagavitive ion repeat1)=NA; RAW_FILE_NAME(Raw file name nagavitive ion repeat2)=NA SUBJECT_SAMPLE_FACTORS S266 CS13059 Sample source:blood | Group:Uncomplicated Infection | Timepoint:-1 Batch=B1; RAW_FILE_NAME(Raw file name nagavitive ion)=200724-NEG-163-CS13059.mzML; RAW_FILE_NAME(Raw file name positive ion)=200724-POS-163-CS13059.mzML; RAW_FILE_NAME(Raw file name nagavitive ion repeat1)=NA; RAW_FILE_NAME(Raw file name nagavitive ion repeat2)=NA SUBJECT_SAMPLE_FACTORS S269 CS13062 Sample source:blood | Group:Uncomplicated Infection | Timepoint:-1 Batch=B3; RAW_FILE_NAME(Raw file name nagavitive ion)=200807-NEG-514-CS13062.mzML; RAW_FILE_NAME(Raw file name positive ion)=200807-POS-514-CS13062.mzML; RAW_FILE_NAME(Raw file name nagavitive ion repeat1)=NA; RAW_FILE_NAME(Raw file name nagavitive ion repeat2)=NA SUBJECT_SAMPLE_FACTORS S283 CS13068 Sample source:blood | Group:Uncomplicated Infection | Timepoint:-1 Batch=B3; RAW_FILE_NAME(Raw file name nagavitive ion)=200807-NEG-530-CS13068.mzML; RAW_FILE_NAME(Raw file name positive ion)=200807-POS-530-CS13068.mzML; RAW_FILE_NAME(Raw file name nagavitive ion repeat1)=NA; RAW_FILE_NAME(Raw file name nagavitive ion repeat2)=NA SUBJECT_SAMPLE_FACTORS S197 CS13074 Sample source:blood | Group:Uncomplicated Infection | Timepoint:-1 Batch=B3; RAW_FILE_NAME(Raw file name nagavitive ion)=200807-NEG-497-CS13074.mzML; RAW_FILE_NAME(Raw file name positive ion)=200807-POS-497-CS13074.mzML; RAW_FILE_NAME(Raw file name nagavitive ion repeat1)=NA; RAW_FILE_NAME(Raw file name nagavitive ion repeat2)=NA SUBJECT_SAMPLE_FACTORS S108 CS13077 Sample source:blood | Group:Uncomplicated Infection | Timepoint:-1 Batch=B1; RAW_FILE_NAME(Raw file name nagavitive ion)=200724-NEG-149-CS13077.mzML; RAW_FILE_NAME(Raw file name positive ion)=200724-POS-149-CS13077.mzML; RAW_FILE_NAME(Raw file name nagavitive ion repeat1)=NA; RAW_FILE_NAME(Raw file name nagavitive ion repeat2)=NA SUBJECT_SAMPLE_FACTORS S169 CS13083 Sample source:blood | Group:Uncomplicated Infection | Timepoint:-1 Batch=B1; RAW_FILE_NAME(Raw file name nagavitive ion)=200724-NEG-197-CS13083.mzML; RAW_FILE_NAME(Raw file name positive ion)=200724-POS-197-CS13083.mzML; RAW_FILE_NAME(Raw file name nagavitive ion repeat1)=NA; RAW_FILE_NAME(Raw file name nagavitive ion repeat2)=NA SUBJECT_SAMPLE_FACTORS S019 CS13167 Sample source:blood | Group:Uncomplicated Infection | Timepoint:-1 Batch=B2; RAW_FILE_NAME(Raw file name nagavitive ion)=200730-NEG-353-CS13167.mzML; RAW_FILE_NAME(Raw file name positive ion)=200730-POS-353-CS13167.mzML; RAW_FILE_NAME(Raw file name nagavitive ion repeat1)=NA; RAW_FILE_NAME(Raw file name nagavitive ion repeat2)=NA SUBJECT_SAMPLE_FACTORS S038 CS13176 Sample source:blood | Group:Uncomplicated Infection | Timepoint:-1 Batch=B3; RAW_FILE_NAME(Raw file name nagavitive ion)=200807-NEG-453-CS13176.mzML; RAW_FILE_NAME(Raw file name positive ion)=200807-POS-453-CS13176.mzML; RAW_FILE_NAME(Raw file name nagavitive ion repeat1)=NA; RAW_FILE_NAME(Raw file name nagavitive ion repeat2)=NA SUBJECT_SAMPLE_FACTORS S146 CS13200 Sample source:blood | Group:Uncomplicated Infection | Timepoint:-1 Batch=B1; RAW_FILE_NAME(Raw file name nagavitive ion)=200724-NEG-078-CS13200.mzML; RAW_FILE_NAME(Raw file name positive ion)=200724-POS-078-CS13200.mzML; RAW_FILE_NAME(Raw file name nagavitive ion repeat1)=NA; RAW_FILE_NAME(Raw file name nagavitive ion repeat2)=NA SUBJECT_SAMPLE_FACTORS S122 CS13206 Sample source:blood | Group:Uncomplicated Infection | Timepoint:-1 Batch=B2; RAW_FILE_NAME(Raw file name nagavitive ion)=200730-NEG-290-CS13206.mzML; RAW_FILE_NAME(Raw file name positive ion)=200730-POS-290-CS13206.mzML; RAW_FILE_NAME(Raw file name nagavitive ion repeat1)=NA; RAW_FILE_NAME(Raw file name nagavitive ion repeat2)=NA SUBJECT_SAMPLE_FACTORS S174 CS13245 Sample source:blood | Group:Uncomplicated Infection | Timepoint:-1 Batch=B3; RAW_FILE_NAME(Raw file name nagavitive ion)=200807-NEG-508-CS13245.mzML; RAW_FILE_NAME(Raw file name positive ion)=200807-POS-508-CS13245.mzML; RAW_FILE_NAME(Raw file name nagavitive ion repeat1)=NA; RAW_FILE_NAME(Raw file name nagavitive ion repeat2)=NA SUBJECT_SAMPLE_FACTORS S191 CS13251 Sample source:blood | Group:Uncomplicated Infection | Timepoint:-1 Batch=B3; RAW_FILE_NAME(Raw file name nagavitive ion)=200807-NEG-557-CS13251.mzML; RAW_FILE_NAME(Raw file name positive ion)=200807-POS-557-CS13251.mzML; RAW_FILE_NAME(Raw file name nagavitive ion repeat1)=NA; RAW_FILE_NAME(Raw file name nagavitive ion repeat2)=NA SUBJECT_SAMPLE_FACTORS S193 CS13263 Sample source:blood | Group:Uncomplicated Infection | Timepoint:-1 Batch=B1; RAW_FILE_NAME(Raw file name nagavitive ion)=200724-NEG-034-CS13263.mzML; RAW_FILE_NAME(Raw file name positive ion)=200724-POS-034-CS13263.mzML; RAW_FILE_NAME(Raw file name nagavitive ion repeat1)=NA; RAW_FILE_NAME(Raw file name nagavitive ion repeat2)=NA SUBJECT_SAMPLE_FACTORS S195 CS13266 Sample source:blood | Group:Uncomplicated Infection | Timepoint:-1 Batch=B1; RAW_FILE_NAME(Raw file name nagavitive ion)=200724-NEG-201-CS13266.mzML; RAW_FILE_NAME(Raw file name positive ion)=200724-POS-201-CS13266.mzML; RAW_FILE_NAME(Raw file name nagavitive ion repeat1)=NA; RAW_FILE_NAME(Raw file name nagavitive ion repeat2)=NA SUBJECT_SAMPLE_FACTORS S212 CS13272 Sample source:blood | Group:Uncomplicated Infection | Timepoint:-1 Batch=B1; RAW_FILE_NAME(Raw file name nagavitive ion)=200724-NEG-074-CS13272.mzML; RAW_FILE_NAME(Raw file name positive ion)=200724-POS-074-CS13272.mzML; RAW_FILE_NAME(Raw file name nagavitive ion repeat1)=NA; RAW_FILE_NAME(Raw file name nagavitive ion repeat2)=NA SUBJECT_SAMPLE_FACTORS S216 CS13281 Sample source:blood | Group:Uncomplicated Infection | Timepoint:-1 Batch=B3; RAW_FILE_NAME(Raw file name nagavitive ion)=200807-NEG-544-CS13281.mzML; RAW_FILE_NAME(Raw file name positive ion)=200807-POS-544-CS13281.mzML; RAW_FILE_NAME(Raw file name nagavitive ion repeat1)=NA; RAW_FILE_NAME(Raw file name nagavitive ion repeat2)=NA SUBJECT_SAMPLE_FACTORS S225 CS13287 Sample source:blood | Group:Uncomplicated Infection | Timepoint:-1 Batch=B3; RAW_FILE_NAME(Raw file name nagavitive ion)=200807-NEG-479-CS13287.mzML; RAW_FILE_NAME(Raw file name positive ion)=200807-POS-479-CS13287.mzML; RAW_FILE_NAME(Raw file name nagavitive ion repeat1)=NA; RAW_FILE_NAME(Raw file name nagavitive ion repeat2)=NA SUBJECT_SAMPLE_FACTORS S057 CS13308 Sample source:blood | Group:Uncomplicated Infection | Timepoint:-1 Batch=B1; RAW_FILE_NAME(Raw file name nagavitive ion)=200724-NEG-117-CS13308.mzML; RAW_FILE_NAME(Raw file name positive ion)=200724-POS-117-CS13308.mzML; RAW_FILE_NAME(Raw file name nagavitive ion repeat1)=NA; RAW_FILE_NAME(Raw file name nagavitive ion repeat2)=NA SUBJECT_SAMPLE_FACTORS S058 CS13311 Sample source:blood | Group:Uncomplicated Infection | Timepoint:-1 Batch=B3; RAW_FILE_NAME(Raw file name nagavitive ion)=200807-NEG-524-CS13311.mzML; RAW_FILE_NAME(Raw file name positive ion)=200807-POS-524-CS13311.mzML; RAW_FILE_NAME(Raw file name nagavitive ion repeat1)=NA; RAW_FILE_NAME(Raw file name nagavitive ion repeat2)=NA SUBJECT_SAMPLE_FACTORS S041 CS13323 Sample source:blood | Group:Uncomplicated Infection | Timepoint:-1 Batch=B2; RAW_FILE_NAME(Raw file name nagavitive ion)=200730-NEG-349-CS13323.mzML; RAW_FILE_NAME(Raw file name positive ion)=200730-POS-349-CS13323.mzML; RAW_FILE_NAME(Raw file name nagavitive ion repeat1)=NA; RAW_FILE_NAME(Raw file name nagavitive ion repeat2)=NA SUBJECT_SAMPLE_FACTORS S090 CS13326 Sample source:blood | Group:Uncomplicated Infection | Timepoint:-1 Batch=B1; RAW_FILE_NAME(Raw file name nagavitive ion)=200724-NEG-036-CS13326.mzML; RAW_FILE_NAME(Raw file name positive ion)=200724-POS-036-CS13326.mzML; RAW_FILE_NAME(Raw file name nagavitive ion repeat1)=NA; RAW_FILE_NAME(Raw file name nagavitive ion repeat2)=NA SUBJECT_SAMPLE_FACTORS S091 CS13329 Sample source:blood | Group:Uncomplicated Infection | Timepoint:-1 Batch=B2; RAW_FILE_NAME(Raw file name nagavitive ion)=200730-NEG-367-CS13329.mzML; RAW_FILE_NAME(Raw file name positive ion)=200730-POS-367-CS13329.mzML; RAW_FILE_NAME(Raw file name nagavitive ion repeat1)=NA; RAW_FILE_NAME(Raw file name nagavitive ion repeat2)=NA SUBJECT_SAMPLE_FACTORS S121 CS13374 Sample source:blood | Group:Uncomplicated Infection | Timepoint:-1 Batch=B3; RAW_FILE_NAME(Raw file name nagavitive ion)=200807-NEG-511-CS13374.mzML; RAW_FILE_NAME(Raw file name positive ion)=200807-POS-511-CS13374.mzML; RAW_FILE_NAME(Raw file name nagavitive ion repeat1)=NA; RAW_FILE_NAME(Raw file name nagavitive ion repeat2)=NA SUBJECT_SAMPLE_FACTORS S125 CS13377 Sample source:blood | Group:Uncomplicated Infection | Timepoint:-1 Batch=B1; RAW_FILE_NAME(Raw file name nagavitive ion)=200724-NEG-112-CS13377.mzML; RAW_FILE_NAME(Raw file name positive ion)=200724-POS-112-CS13377.mzML; RAW_FILE_NAME(Raw file name nagavitive ion repeat1)=NA; RAW_FILE_NAME(Raw file name nagavitive ion repeat2)=NA SUBJECT_SAMPLE_FACTORS S263 CS13047 Sample source:blood | Group:Uncomplicated Infection | Timepoint:-2 Batch=B3; RAW_FILE_NAME(Raw file name nagavitive ion)=200807-NEG-494-CS13047.mzML; RAW_FILE_NAME(Raw file name positive ion)=200807-POS-494-CS13047.mzML; RAW_FILE_NAME(Raw file name nagavitive ion repeat1)=NA; RAW_FILE_NAME(Raw file name nagavitive ion repeat2)=NA SUBJECT_SAMPLE_FACTORS S281 CS13052 Sample source:blood | Group:Uncomplicated Infection | Timepoint:-2 Batch=B2; RAW_FILE_NAME(Raw file name nagavitive ion)=200730-NEG-319-CS13052.mzML; RAW_FILE_NAME(Raw file name positive ion)=200730-POS-319-CS13052.mzML; RAW_FILE_NAME(Raw file name nagavitive ion repeat1)=NA; RAW_FILE_NAME(Raw file name nagavitive ion repeat2)=NA SUBJECT_SAMPLE_FACTORS S266 CS13058 Sample source:blood | Group:Uncomplicated Infection | Timepoint:-2 Batch=B1; RAW_FILE_NAME(Raw file name nagavitive ion)=200724-NEG-162-CS13058.mzML; RAW_FILE_NAME(Raw file name positive ion)=200724-POS-162-CS13058.mzML; RAW_FILE_NAME(Raw file name nagavitive ion repeat1)=NA; RAW_FILE_NAME(Raw file name nagavitive ion repeat2)=NA SUBJECT_SAMPLE_FACTORS S269 CS13061 Sample source:blood | Group:Uncomplicated Infection | Timepoint:-2 Batch=B3; RAW_FILE_NAME(Raw file name nagavitive ion)=200807-NEG-513-CS13061.mzML; RAW_FILE_NAME(Raw file name positive ion)=200807-POS-513-CS13061.mzML; RAW_FILE_NAME(Raw file name nagavitive ion repeat1)=NA; RAW_FILE_NAME(Raw file name nagavitive ion repeat2)=NA SUBJECT_SAMPLE_FACTORS S283 CS13067 Sample source:blood | Group:Uncomplicated Infection | Timepoint:-2 Batch=B3; RAW_FILE_NAME(Raw file name nagavitive ion)=200807-NEG-532-CS13067.mzML; RAW_FILE_NAME(Raw file name positive ion)=200807-POS-532-CS13067.mzML; RAW_FILE_NAME(Raw file name nagavitive ion repeat1)=NA; RAW_FILE_NAME(Raw file name nagavitive ion repeat2)=NA SUBJECT_SAMPLE_FACTORS S108 CS13076 Sample source:blood | Group:Uncomplicated Infection | Timepoint:-2 Batch=B1; RAW_FILE_NAME(Raw file name nagavitive ion)=200724-NEG-148-CS13076.mzML; RAW_FILE_NAME(Raw file name positive ion)=200724-POS-148-CS13076.mzML; RAW_FILE_NAME(Raw file name nagavitive ion repeat1)=NA; RAW_FILE_NAME(Raw file name nagavitive ion repeat2)=NA SUBJECT_SAMPLE_FACTORS S169 CS13082 Sample source:blood | Group:Uncomplicated Infection | Timepoint:-2 Batch=B1; RAW_FILE_NAME(Raw file name nagavitive ion)=200724-NEG-196-CS13082.mzML; RAW_FILE_NAME(Raw file name positive ion)=200724-POS-196-CS13082.mzML; RAW_FILE_NAME(Raw file name nagavitive ion repeat1)=NA; RAW_FILE_NAME(Raw file name nagavitive ion repeat2)=NA SUBJECT_SAMPLE_FACTORS S019 CS13166 Sample source:blood | Group:Uncomplicated Infection | Timepoint:-2 Batch=B2; RAW_FILE_NAME(Raw file name nagavitive ion)=200730-NEG-354-CS13166.mzML; RAW_FILE_NAME(Raw file name positive ion)=200730-POS-354-CS13166.mzML; RAW_FILE_NAME(Raw file name nagavitive ion repeat1)=NA; RAW_FILE_NAME(Raw file name nagavitive ion repeat2)=NA SUBJECT_SAMPLE_FACTORS S249 CS13169 Sample source:blood | Group:Uncomplicated Infection | Timepoint:-2 Batch=B2; RAW_FILE_NAME(Raw file name nagavitive ion)=200730-NEG-287-CS13169.mzML; RAW_FILE_NAME(Raw file name positive ion)=200730-POS-287-CS13169.mzML; RAW_FILE_NAME(Raw file name nagavitive ion repeat1)=NA; RAW_FILE_NAME(Raw file name nagavitive ion repeat2)=NA SUBJECT_SAMPLE_FACTORS S174 CS13244 Sample source:blood | Group:Uncomplicated Infection | Timepoint:-2 Batch=B3; RAW_FILE_NAME(Raw file name nagavitive ion)=200807-NEG-507-CS13244.mzML; RAW_FILE_NAME(Raw file name positive ion)=200807-POS-507-CS13244.mzML; RAW_FILE_NAME(Raw file name nagavitive ion repeat1)=NA; RAW_FILE_NAME(Raw file name nagavitive ion repeat2)=NA SUBJECT_SAMPLE_FACTORS S191 CS13250 Sample source:blood | Group:Uncomplicated Infection | Timepoint:-2 Batch=B3; RAW_FILE_NAME(Raw file name nagavitive ion)=200807-NEG-556-CS13250.mzML; RAW_FILE_NAME(Raw file name positive ion)=200807-POS-556-CS13250.mzML; RAW_FILE_NAME(Raw file name nagavitive ion repeat1)=NA; RAW_FILE_NAME(Raw file name nagavitive ion repeat2)=NA SUBJECT_SAMPLE_FACTORS S212 CS13271 Sample source:blood | Group:Uncomplicated Infection | Timepoint:-2 Batch=B1; RAW_FILE_NAME(Raw file name nagavitive ion)=200724-NEG-076-CS13271.mzML; RAW_FILE_NAME(Raw file name positive ion)=200724-POS-076-CS13271.mzML; RAW_FILE_NAME(Raw file name nagavitive ion repeat1)=NA; RAW_FILE_NAME(Raw file name nagavitive ion repeat2)=NA SUBJECT_SAMPLE_FACTORS S216 CS13280 Sample source:blood | Group:Uncomplicated Infection | Timepoint:-2 Batch=B3; RAW_FILE_NAME(Raw file name nagavitive ion)=200807-NEG-546-CS13280.mzML; RAW_FILE_NAME(Raw file name positive ion)=200807-POS-546-CS13280.mzML; RAW_FILE_NAME(Raw file name nagavitive ion repeat1)=NA; RAW_FILE_NAME(Raw file name nagavitive ion repeat2)=NA SUBJECT_SAMPLE_FACTORS S225 CS13286 Sample source:blood | Group:Uncomplicated Infection | Timepoint:-2 Batch=B3; RAW_FILE_NAME(Raw file name nagavitive ion)=200807-NEG-480-CS13286.mzML; RAW_FILE_NAME(Raw file name positive ion)=200807-POS-480-CS13286.mzML; RAW_FILE_NAME(Raw file name nagavitive ion repeat1)=NA; RAW_FILE_NAME(Raw file name nagavitive ion repeat2)=NA SUBJECT_SAMPLE_FACTORS S121 CS13373 Sample source:blood | Group:Uncomplicated Infection | Timepoint:-2 Batch=B3; RAW_FILE_NAME(Raw file name nagavitive ion)=200807-NEG-510-CS13373.mzML; RAW_FILE_NAME(Raw file name positive ion)=200807-POS-510-CS13373.mzML; RAW_FILE_NAME(Raw file name nagavitive ion repeat1)=NA; RAW_FILE_NAME(Raw file name nagavitive ion repeat2)=NA SUBJECT_SAMPLE_FACTORS S125 CS13376 Sample source:blood | Group:Uncomplicated Infection | Timepoint:-2 Batch=B1; RAW_FILE_NAME(Raw file name nagavitive ion)=200724-NEG-114-CS13376.mzML; RAW_FILE_NAME(Raw file name positive ion)=200724-POS-114-CS13376.mzML; RAW_FILE_NAME(Raw file name nagavitive ion repeat1)=NA; RAW_FILE_NAME(Raw file name nagavitive ion repeat2)=NA SUBJECT_SAMPLE_FACTORS S010 CS12923 Sample source:blood | Group:Uncomplicated Infection | Timepoint:-3 Batch=B3; RAW_FILE_NAME(Raw file name nagavitive ion)=200807-NEG-517-CS12923.mzML; RAW_FILE_NAME(Raw file name positive ion)=200807-POS-517-CS12923.mzML; RAW_FILE_NAME(Raw file name nagavitive ion repeat1)=NA; RAW_FILE_NAME(Raw file name nagavitive ion repeat2)=NA SUBJECT_SAMPLE_FACTORS S033 CS12929 Sample source:blood | Group:Uncomplicated Infection | Timepoint:-3 Batch=B2; RAW_FILE_NAME(Raw file name nagavitive ion)=200730-NEG-377-CS12929.mzML; RAW_FILE_NAME(Raw file name positive ion)=200730-POS-377-CS12929.mzML; RAW_FILE_NAME(Raw file name nagavitive ion repeat1)=NA; RAW_FILE_NAME(Raw file name nagavitive ion repeat2)=NA SUBJECT_SAMPLE_FACTORS S050 CS12932 Sample source:blood | Group:Uncomplicated Infection | Timepoint:-3 Batch=B3; RAW_FILE_NAME(Raw file name nagavitive ion)=200807-NEG-457-CS12932.mzML; RAW_FILE_NAME(Raw file name positive ion)=200807-POS-457-CS12932.mzML; RAW_FILE_NAME(Raw file name nagavitive ion repeat1)=NA; RAW_FILE_NAME(Raw file name nagavitive ion repeat2)=NA SUBJECT_SAMPLE_FACTORS S060 CS12935 Sample source:blood | Group:Uncomplicated Infection | Timepoint:-3 Batch=B2; RAW_FILE_NAME(Raw file name nagavitive ion)=200730-NEG-234-CS12935.mzML; RAW_FILE_NAME(Raw file name positive ion)=200730-POS-234-CS12935.mzML; RAW_FILE_NAME(Raw file name nagavitive ion repeat1)=NA; RAW_FILE_NAME(Raw file name nagavitive ion repeat2)=NA SUBJECT_SAMPLE_FACTORS S039 CS12944 Sample source:blood | Group:Uncomplicated Infection | Timepoint:-3 Batch=B3; RAW_FILE_NAME(Raw file name nagavitive ion)=200807-NEG-499-CS12944.mzML; RAW_FILE_NAME(Raw file name positive ion)=200807-POS-499-CS12944.mzML; RAW_FILE_NAME(Raw file name nagavitive ion repeat1)=NA; RAW_FILE_NAME(Raw file name nagavitive ion repeat2)=NA SUBJECT_SAMPLE_FACTORS S070 CS12974 Sample source:blood | Group:Uncomplicated Infection | Timepoint:-3 Batch=B3; RAW_FILE_NAME(Raw file name nagavitive ion)=200807-NEG-573-CS12974.mzML; RAW_FILE_NAME(Raw file name positive ion)=200807-POS-573-CS12974.mzML; RAW_FILE_NAME(Raw file name nagavitive ion repeat1)=NA; RAW_FILE_NAME(Raw file name nagavitive ion repeat2)=NA SUBJECT_SAMPLE_FACTORS S074 CS12977 Sample source:blood | Group:Uncomplicated Infection | Timepoint:-3 Batch=B1; RAW_FILE_NAME(Raw file name nagavitive ion)=200724-NEG-022-CS12977.mzML; RAW_FILE_NAME(Raw file name positive ion)=200724-POS-022-CS12977.mzML; RAW_FILE_NAME(Raw file name nagavitive ion repeat1)=NA; RAW_FILE_NAME(Raw file name nagavitive ion repeat2)=NA SUBJECT_SAMPLE_FACTORS S062 CS12986 Sample source:blood | Group:Uncomplicated Infection | Timepoint:-3 Batch=B1; RAW_FILE_NAME(Raw file name nagavitive ion)=200724-NEG-179-CS12986.mzML; RAW_FILE_NAME(Raw file name positive ion)=200724-POS-179-CS12986.mzML; RAW_FILE_NAME(Raw file name nagavitive ion repeat1)=NA; RAW_FILE_NAME(Raw file name nagavitive ion repeat2)=NA SUBJECT_SAMPLE_FACTORS S197 CS13073 Sample source:blood | Group:Uncomplicated Infection | Timepoint:-3 Batch=B3; RAW_FILE_NAME(Raw file name nagavitive ion)=200807-NEG-495-CS13073.mzML; RAW_FILE_NAME(Raw file name positive ion)=200807-POS-495-CS13073.mzML; RAW_FILE_NAME(Raw file name nagavitive ion repeat1)=NA; RAW_FILE_NAME(Raw file name nagavitive ion repeat2)=NA SUBJECT_SAMPLE_FACTORS S038 CS13175 Sample source:blood | Group:Uncomplicated Infection | Timepoint:-3 Batch=B3; RAW_FILE_NAME(Raw file name nagavitive ion)=200807-NEG-454-CS13175.mzML; RAW_FILE_NAME(Raw file name positive ion)=200807-POS-454-CS13175.mzML; RAW_FILE_NAME(Raw file name nagavitive ion repeat1)=NA; RAW_FILE_NAME(Raw file name nagavitive ion repeat2)=NA SUBJECT_SAMPLE_FACTORS S146 CS13199 Sample source:blood | Group:Uncomplicated Infection | Timepoint:-3 Batch=B1; RAW_FILE_NAME(Raw file name nagavitive ion)=200724-NEG-077-CS13199.mzML; RAW_FILE_NAME(Raw file name positive ion)=200724-POS-077-CS13199.mzML; RAW_FILE_NAME(Raw file name nagavitive ion repeat1)=NA; RAW_FILE_NAME(Raw file name nagavitive ion repeat2)=NA SUBJECT_SAMPLE_FACTORS S122 CS13205 Sample source:blood | Group:Uncomplicated Infection | Timepoint:-3 Batch=B2; RAW_FILE_NAME(Raw file name nagavitive ion)=200730-NEG-292-CS13205.mzML; RAW_FILE_NAME(Raw file name positive ion)=200730-POS-292-CS13205.mzML; RAW_FILE_NAME(Raw file name nagavitive ion repeat1)=NA; RAW_FILE_NAME(Raw file name nagavitive ion repeat2)=NA SUBJECT_SAMPLE_FACTORS S193 CS13262 Sample source:blood | Group:Uncomplicated Infection | Timepoint:-3 Batch=B1; RAW_FILE_NAME(Raw file name nagavitive ion)=200724-NEG-032-CS13262.mzML; RAW_FILE_NAME(Raw file name positive ion)=200724-POS-032-CS13262.mzML; RAW_FILE_NAME(Raw file name nagavitive ion repeat1)=NA; RAW_FILE_NAME(Raw file name nagavitive ion repeat2)=NA SUBJECT_SAMPLE_FACTORS S195 CS13265 Sample source:blood | Group:Uncomplicated Infection | Timepoint:-3 Batch=B1; RAW_FILE_NAME(Raw file name nagavitive ion)=200724-NEG-202-CS13265.mzML; RAW_FILE_NAME(Raw file name positive ion)=200724-POS-202-CS13265.mzML; RAW_FILE_NAME(Raw file name nagavitive ion repeat1)=NA; RAW_FILE_NAME(Raw file name nagavitive ion repeat2)=NA SUBJECT_SAMPLE_FACTORS S057 CS13307 Sample source:blood | Group:Uncomplicated Infection | Timepoint:-3 Batch=B1; RAW_FILE_NAME(Raw file name nagavitive ion)=200724-NEG-118-CS13307.mzML; RAW_FILE_NAME(Raw file name positive ion)=200724-POS-118-CS13307.mzML; RAW_FILE_NAME(Raw file name nagavitive ion repeat1)=NA; RAW_FILE_NAME(Raw file name nagavitive ion repeat2)=NA SUBJECT_SAMPLE_FACTORS S058 CS13310 Sample source:blood | Group:Uncomplicated Infection | Timepoint:-3 Batch=B3; RAW_FILE_NAME(Raw file name nagavitive ion)=200807-NEG-523-CS13310.mzML; RAW_FILE_NAME(Raw file name positive ion)=200807-POS-523-CS13310.mzML; RAW_FILE_NAME(Raw file name nagavitive ion repeat1)=NA; RAW_FILE_NAME(Raw file name nagavitive ion repeat2)=NA SUBJECT_SAMPLE_FACTORS S041 CS13322 Sample source:blood | Group:Uncomplicated Infection | Timepoint:-3 Batch=B2; RAW_FILE_NAME(Raw file name nagavitive ion)=200730-NEG-351-CS13322.mzML; RAW_FILE_NAME(Raw file name positive ion)=200730-POS-351-CS13322.mzML; RAW_FILE_NAME(Raw file name nagavitive ion repeat1)=NA; RAW_FILE_NAME(Raw file name nagavitive ion repeat2)=NA SUBJECT_SAMPLE_FACTORS S090 CS13325 Sample source:blood | Group:Uncomplicated Infection | Timepoint:-3 Batch=B1; RAW_FILE_NAME(Raw file name nagavitive ion)=200724-NEG-035-CS13325.mzML; RAW_FILE_NAME(Raw file name positive ion)=200724-POS-035-CS13325.mzML; RAW_FILE_NAME(Raw file name nagavitive ion repeat1)=NA; RAW_FILE_NAME(Raw file name nagavitive ion repeat2)=NA SUBJECT_SAMPLE_FACTORS S091 CS13328 Sample source:blood | Group:Uncomplicated Infection | Timepoint:-3 Batch=B2; RAW_FILE_NAME(Raw file name nagavitive ion)=200730-NEG-369-CS13328.mzML; RAW_FILE_NAME(Raw file name positive ion)=200730-POS-369-CS13328.mzML; RAW_FILE_NAME(Raw file name nagavitive ion repeat1)=NA; RAW_FILE_NAME(Raw file name nagavitive ion repeat2)=NA SUBJECT_SAMPLE_FACTORS S010 CS12922 Sample source:blood | Group:Uncomplicated Infection | Timepoint:Pre Batch=B3; RAW_FILE_NAME(Raw file name nagavitive ion)=200807-NEG-518-CS12922.mzML; RAW_FILE_NAME(Raw file name positive ion)=200807-POS-518-CS12922.mzML; RAW_FILE_NAME(Raw file name nagavitive ion repeat1)=NA; RAW_FILE_NAME(Raw file name nagavitive ion repeat2)=NA SUBJECT_SAMPLE_FACTORS S033 CS12928 Sample source:blood | Group:Uncomplicated Infection | Timepoint:Pre Batch=B2; RAW_FILE_NAME(Raw file name nagavitive ion)=200730-NEG-379-CS12928.mzML; RAW_FILE_NAME(Raw file name positive ion)=200730-POS-379-CS12928.mzML; RAW_FILE_NAME(Raw file name nagavitive ion repeat1)=NA; RAW_FILE_NAME(Raw file name nagavitive ion repeat2)=NA SUBJECT_SAMPLE_FACTORS S050 CS12931 Sample source:blood | Group:Uncomplicated Infection | Timepoint:Pre Batch=B3; RAW_FILE_NAME(Raw file name nagavitive ion)=200807-NEG-458-CS12931.mzML; RAW_FILE_NAME(Raw file name positive ion)=200807-POS-458-CS12931.mzML; RAW_FILE_NAME(Raw file name nagavitive ion repeat1)=NA; RAW_FILE_NAME(Raw file name nagavitive ion repeat2)=NA SUBJECT_SAMPLE_FACTORS S060 CS12934 Sample source:blood | Group:Uncomplicated Infection | Timepoint:Pre Batch=B2; RAW_FILE_NAME(Raw file name nagavitive ion)=200730-NEG-236-CS12934.mzML; RAW_FILE_NAME(Raw file name positive ion)=200730-POS-236-CS12934.mzML; RAW_FILE_NAME(Raw file name nagavitive ion repeat1)=NA; RAW_FILE_NAME(Raw file name nagavitive ion repeat2)=NA SUBJECT_SAMPLE_FACTORS S039 CS12943 Sample source:blood | Group:Uncomplicated Infection | Timepoint:Pre Batch=B3; RAW_FILE_NAME(Raw file name nagavitive ion)=200807-NEG-501-CS12943.mzML; RAW_FILE_NAME(Raw file name positive ion)=200807-POS-501-CS12943.mzML; RAW_FILE_NAME(Raw file name nagavitive ion repeat1)=NA; RAW_FILE_NAME(Raw file name nagavitive ion repeat2)=NA SUBJECT_SAMPLE_FACTORS S070 CS12973 Sample source:blood | Group:Uncomplicated Infection | Timepoint:Pre Batch=B3; RAW_FILE_NAME(Raw file name nagavitive ion)=200807-NEG-574-CS12973.mzML; RAW_FILE_NAME(Raw file name positive ion)=200807-POS-574-CS12973.mzML; RAW_FILE_NAME(Raw file name nagavitive ion repeat1)=NA; RAW_FILE_NAME(Raw file name nagavitive ion repeat2)=NA SUBJECT_SAMPLE_FACTORS S074 CS12976 Sample source:blood | Group:Uncomplicated Infection | Timepoint:Pre Batch=B1; RAW_FILE_NAME(Raw file name nagavitive ion)=200724-NEG-021-CS12976.mzML; RAW_FILE_NAME(Raw file name positive ion)=200724-POS-021-CS12976.mzML; RAW_FILE_NAME(Raw file name nagavitive ion repeat1)=NA; RAW_FILE_NAME(Raw file name nagavitive ion repeat2)=NA SUBJECT_SAMPLE_FACTORS S062 CS12985 Sample source:blood | Group:Uncomplicated Infection | Timepoint:Pre Batch=B1; RAW_FILE_NAME(Raw file name nagavitive ion)=200724-NEG-181-CS12985.mzML; RAW_FILE_NAME(Raw file name positive ion)=200724-POS-181-CS12985.mzML; RAW_FILE_NAME(Raw file name nagavitive ion repeat1)=NA; RAW_FILE_NAME(Raw file name nagavitive ion repeat2)=NA SUBJECT_SAMPLE_FACTORS S064 CS12993 Sample source:blood | Group:Uncomplicated Infection | Timepoint:Pre Batch=B3; RAW_FILE_NAME(Raw file name nagavitive ion)=200807-NEG-579-CS12993.mzML; RAW_FILE_NAME(Raw file name positive ion)=200807-POS-579-CS12993.mzML; RAW_FILE_NAME(Raw file name nagavitive ion repeat1)=NA; RAW_FILE_NAME(Raw file name nagavitive ion repeat2)=NA SUBJECT_SAMPLE_FACTORS S249 CS13032 Sample source:blood | Group:Uncomplicated Infection | Timepoint:Pre Batch=B2; RAW_FILE_NAME(Raw file name nagavitive ion)=200730-NEG-288-CS13032.mzML; RAW_FILE_NAME(Raw file name positive ion)=200730-POS-288-CS13032.mzML; RAW_FILE_NAME(Raw file name nagavitive ion repeat1)=NA; RAW_FILE_NAME(Raw file name nagavitive ion repeat2)=NA SUBJECT_SAMPLE_FACTORS S263 CS13046 Sample source:blood | Group:Uncomplicated Infection | Timepoint:Pre Batch=B3; RAW_FILE_NAME(Raw file name nagavitive ion)=200807-NEG-493-CS13046.mzML; RAW_FILE_NAME(Raw file name positive ion)=200807-POS-493-CS13046.mzML; RAW_FILE_NAME(Raw file name nagavitive ion repeat1)=NA; RAW_FILE_NAME(Raw file name nagavitive ion repeat2)=NA SUBJECT_SAMPLE_FACTORS S266 CS13057 Sample source:blood | Group:Uncomplicated Infection | Timepoint:Pre Batch=B1; RAW_FILE_NAME(Raw file name nagavitive ion)=200724-NEG-161-CS13057.mzML; RAW_FILE_NAME(Raw file name positive ion)=200724-POS-161-CS13057.mzML; RAW_FILE_NAME(Raw file name nagavitive ion repeat1)=NA; RAW_FILE_NAME(Raw file name nagavitive ion repeat2)=NA SUBJECT_SAMPLE_FACTORS S269 CS13060 Sample source:blood | Group:Uncomplicated Infection | Timepoint:Pre Batch=B3; RAW_FILE_NAME(Raw file name nagavitive ion)=200807-NEG-515-CS13060.mzML; RAW_FILE_NAME(Raw file name positive ion)=200807-POS-515-CS13060.mzML; RAW_FILE_NAME(Raw file name nagavitive ion repeat1)=NA; RAW_FILE_NAME(Raw file name nagavitive ion repeat2)=NA SUBJECT_SAMPLE_FACTORS S283 CS13066 Sample source:blood | Group:Uncomplicated Infection | Timepoint:Pre Batch=B3; RAW_FILE_NAME(Raw file name nagavitive ion)=200807-NEG-531-CS13066.mzML; RAW_FILE_NAME(Raw file name positive ion)=200807-POS-531-CS13066.mzML; RAW_FILE_NAME(Raw file name nagavitive ion repeat1)=NA; RAW_FILE_NAME(Raw file name nagavitive ion repeat2)=NA SUBJECT_SAMPLE_FACTORS S197 CS13072 Sample source:blood | Group:Uncomplicated Infection | Timepoint:Pre Batch=B3; RAW_FILE_NAME(Raw file name nagavitive ion)=200807-NEG-496-CS13072.mzML; RAW_FILE_NAME(Raw file name positive ion)=200807-POS-496-CS13072.mzML; RAW_FILE_NAME(Raw file name nagavitive ion repeat1)=NA; RAW_FILE_NAME(Raw file name nagavitive ion repeat2)=NA SUBJECT_SAMPLE_FACTORS S108 CS13075 Sample source:blood | Group:Uncomplicated Infection | Timepoint:Pre Batch=B1; RAW_FILE_NAME(Raw file name nagavitive ion)=200724-NEG-147-CS13075.mzML; RAW_FILE_NAME(Raw file name positive ion)=200724-POS-147-CS13075.mzML; RAW_FILE_NAME(Raw file name nagavitive ion repeat1)=NA; RAW_FILE_NAME(Raw file name nagavitive ion repeat2)=NA SUBJECT_SAMPLE_FACTORS S169 CS13081 Sample source:blood | Group:Uncomplicated Infection | Timepoint:Pre Batch=B1; RAW_FILE_NAME(Raw file name nagavitive ion)=200724-NEG-198-CS13081.mzML; RAW_FILE_NAME(Raw file name positive ion)=200724-POS-198-CS13081.mzML; RAW_FILE_NAME(Raw file name nagavitive ion repeat1)=NA; RAW_FILE_NAME(Raw file name nagavitive ion repeat2)=NA SUBJECT_SAMPLE_FACTORS S019 CS13165 Sample source:blood | Group:Uncomplicated Infection | Timepoint:Pre Batch=B2; RAW_FILE_NAME(Raw file name nagavitive ion)=200730-NEG-355-CS13165.mzML; RAW_FILE_NAME(Raw file name positive ion)=200730-POS-355-CS13165.mzML; RAW_FILE_NAME(Raw file name nagavitive ion repeat1)=NA; RAW_FILE_NAME(Raw file name nagavitive ion repeat2)=NA SUBJECT_SAMPLE_FACTORS S281 CS13170 Sample source:blood | Group:Uncomplicated Infection | Timepoint:Pre Batch=B2; RAW_FILE_NAME(Raw file name nagavitive ion)=200730-NEG-320-CS13170.mzML; RAW_FILE_NAME(Raw file name positive ion)=200730-POS-320-CS13170.mzML; RAW_FILE_NAME(Raw file name nagavitive ion repeat1)=NA; RAW_FILE_NAME(Raw file name nagavitive ion repeat2)=NA SUBJECT_SAMPLE_FACTORS S038 CS13174 Sample source:blood | Group:Uncomplicated Infection | Timepoint:Pre Batch=B3; RAW_FILE_NAME(Raw file name nagavitive ion)=200807-NEG-455-CS13174.mzML; RAW_FILE_NAME(Raw file name positive ion)=200807-POS-455-CS13174.mzML; RAW_FILE_NAME(Raw file name nagavitive ion repeat1)=NA; RAW_FILE_NAME(Raw file name nagavitive ion repeat2)=NA SUBJECT_SAMPLE_FACTORS S146 CS13198 Sample source:blood | Group:Uncomplicated Infection | Timepoint:Pre Batch=B1; RAW_FILE_NAME(Raw file name nagavitive ion)=200724-NEG-079-CS13198.mzML; RAW_FILE_NAME(Raw file name positive ion)=200724-POS-079-CS13198.mzML; RAW_FILE_NAME(Raw file name nagavitive ion repeat1)=NA; RAW_FILE_NAME(Raw file name nagavitive ion repeat2)=NA SUBJECT_SAMPLE_FACTORS S122 CS13204 Sample source:blood | Group:Uncomplicated Infection | Timepoint:Pre Batch=B2; RAW_FILE_NAME(Raw file name nagavitive ion)=200730-NEG-291-CS13204.mzML; RAW_FILE_NAME(Raw file name positive ion)=200730-POS-291-CS13204.mzML; RAW_FILE_NAME(Raw file name nagavitive ion repeat1)=NA; RAW_FILE_NAME(Raw file name nagavitive ion repeat2)=NA SUBJECT_SAMPLE_FACTORS S174 CS13243 Sample source:blood | Group:Uncomplicated Infection | Timepoint:Pre Batch=B3; RAW_FILE_NAME(Raw file name nagavitive ion)=200807-NEG-506-CS13243.mzML; RAW_FILE_NAME(Raw file name positive ion)=200807-POS-506-CS13243.mzML; RAW_FILE_NAME(Raw file name nagavitive ion repeat1)=NA; RAW_FILE_NAME(Raw file name nagavitive ion repeat2)=NA SUBJECT_SAMPLE_FACTORS S191 CS13249 Sample source:blood | Group:Uncomplicated Infection | Timepoint:Pre Batch=B3; RAW_FILE_NAME(Raw file name nagavitive ion)=200807-NEG-555-CS13249.mzML; RAW_FILE_NAME(Raw file name positive ion)=200807-POS-555-CS13249.mzML; RAW_FILE_NAME(Raw file name nagavitive ion repeat1)=NA; RAW_FILE_NAME(Raw file name nagavitive ion repeat2)=NA SUBJECT_SAMPLE_FACTORS S193 CS13261 Sample source:blood | Group:Uncomplicated Infection | Timepoint:Pre Batch=B1; RAW_FILE_NAME(Raw file name nagavitive ion)=200724-NEG-033-CS13261.mzML; RAW_FILE_NAME(Raw file name positive ion)=200724-POS-033-CS13261.mzML; RAW_FILE_NAME(Raw file name nagavitive ion repeat1)=NA; RAW_FILE_NAME(Raw file name nagavitive ion repeat2)=NA SUBJECT_SAMPLE_FACTORS S195 CS13264 Sample source:blood | Group:Uncomplicated Infection | Timepoint:Pre Batch=B1; RAW_FILE_NAME(Raw file name nagavitive ion)=200724-NEG-200-CS13264.mzML; RAW_FILE_NAME(Raw file name positive ion)=200724-POS-200-CS13264.mzML; RAW_FILE_NAME(Raw file name nagavitive ion repeat1)=NA; RAW_FILE_NAME(Raw file name nagavitive ion repeat2)=NA SUBJECT_SAMPLE_FACTORS S212 CS13270 Sample source:blood | Group:Uncomplicated Infection | Timepoint:Pre Batch=B1; RAW_FILE_NAME(Raw file name nagavitive ion)=200724-NEG-075-CS13270.mzML; RAW_FILE_NAME(Raw file name positive ion)=200724-POS-075-CS13270.mzML; RAW_FILE_NAME(Raw file name nagavitive ion repeat1)=NA; RAW_FILE_NAME(Raw file name nagavitive ion repeat2)=NA SUBJECT_SAMPLE_FACTORS S216 CS13279 Sample source:blood | Group:Uncomplicated Infection | Timepoint:Pre Batch=B3; RAW_FILE_NAME(Raw file name nagavitive ion)=200807-NEG-545-CS13279.mzML; RAW_FILE_NAME(Raw file name positive ion)=200807-POS-545-CS13279.mzML; RAW_FILE_NAME(Raw file name nagavitive ion repeat1)=NA; RAW_FILE_NAME(Raw file name nagavitive ion repeat2)=NA SUBJECT_SAMPLE_FACTORS S225 CS13285 Sample source:blood | Group:Uncomplicated Infection | Timepoint:Pre Batch=B3; RAW_FILE_NAME(Raw file name nagavitive ion)=200807-NEG-478-CS13285.mzML; RAW_FILE_NAME(Raw file name positive ion)=200807-POS-478-CS13285.mzML; RAW_FILE_NAME(Raw file name nagavitive ion repeat1)=NA; RAW_FILE_NAME(Raw file name nagavitive ion repeat2)=NA SUBJECT_SAMPLE_FACTORS S057 CS13306 Sample source:blood | Group:Uncomplicated Infection | Timepoint:Pre Batch=B1; RAW_FILE_NAME(Raw file name nagavitive ion)=200724-NEG-116-CS13306.mzML; RAW_FILE_NAME(Raw file name positive ion)=200724-POS-116-CS13306.mzML; RAW_FILE_NAME(Raw file name nagavitive ion repeat1)=NA; RAW_FILE_NAME(Raw file name nagavitive ion repeat2)=NA SUBJECT_SAMPLE_FACTORS S058 CS13309 Sample source:blood | Group:Uncomplicated Infection | Timepoint:Pre Batch=B3; RAW_FILE_NAME(Raw file name nagavitive ion)=200807-NEG-525-CS13309.mzML; RAW_FILE_NAME(Raw file name positive ion)=200807-POS-525-CS13309.mzML; RAW_FILE_NAME(Raw file name nagavitive ion repeat1)=NA; RAW_FILE_NAME(Raw file name nagavitive ion repeat2)=NA SUBJECT_SAMPLE_FACTORS S041 CS13321 Sample source:blood | Group:Uncomplicated Infection | Timepoint:Pre Batch=B2; RAW_FILE_NAME(Raw file name nagavitive ion)=200730-NEG-350-CS13321.mzML; RAW_FILE_NAME(Raw file name positive ion)=200730-POS-350-CS13321.mzML; RAW_FILE_NAME(Raw file name nagavitive ion repeat1)=NA; RAW_FILE_NAME(Raw file name nagavitive ion repeat2)=NA SUBJECT_SAMPLE_FACTORS S090 CS13324 Sample source:blood | Group:Uncomplicated Infection | Timepoint:Pre Batch=B1; RAW_FILE_NAME(Raw file name nagavitive ion)=200724-NEG-037-CS13324.mzML; RAW_FILE_NAME(Raw file name positive ion)=200724-POS-037-CS13324.mzML; RAW_FILE_NAME(Raw file name nagavitive ion repeat1)=NA; RAW_FILE_NAME(Raw file name nagavitive ion repeat2)=NA SUBJECT_SAMPLE_FACTORS S091 CS13327 Sample source:blood | Group:Uncomplicated Infection | Timepoint:Pre Batch=B2; RAW_FILE_NAME(Raw file name nagavitive ion)=200730-NEG-368-CS13327.mzML; RAW_FILE_NAME(Raw file name positive ion)=200730-POS-368-CS13327.mzML; RAW_FILE_NAME(Raw file name nagavitive ion repeat1)=NA; RAW_FILE_NAME(Raw file name nagavitive ion repeat2)=NA SUBJECT_SAMPLE_FACTORS S121 CS13372 Sample source:blood | Group:Uncomplicated Infection | Timepoint:Pre Batch=B3; RAW_FILE_NAME(Raw file name nagavitive ion)=200807-NEG-509-CS13372.mzML; RAW_FILE_NAME(Raw file name positive ion)=200807-POS-509-CS13372.mzML; RAW_FILE_NAME(Raw file name nagavitive ion repeat1)=NA; RAW_FILE_NAME(Raw file name nagavitive ion repeat2)=NA SUBJECT_SAMPLE_FACTORS S125 CS13375 Sample source:blood | Group:Uncomplicated Infection | Timepoint:Pre Batch=B1; RAW_FILE_NAME(Raw file name nagavitive ion)=200724-NEG-113-CS13375.mzML; RAW_FILE_NAME(Raw file name positive ion)=200724-POS-113-CS13375.mzML; RAW_FILE_NAME(Raw file name nagavitive ion repeat1)=NA; RAW_FILE_NAME(Raw file name nagavitive ion repeat2)=NA #COLLECTION CO:COLLECTION_SUMMARY Human serum samples were collected from presymptomatic sepsis patients scheduled CO:COLLECTION_SUMMARY for elective surgery before operation and up to one day before diagnosis, CO:COLLECTION_SUMMARY matched with uncomplicated infection and healthy controls and frozen at -80 °C. CO:COLLECTION_SUMMARY Samples were shipped to MS-OMICS for metabolomic analysis. CO:SAMPLE_TYPE Blood (serum) #TREATMENT TR:TREATMENT_SUMMARY we retrieved samples from patients scheduled for elective surgery, corresponding TR:TREATMENT_SUMMARY to time point Pre (pre-operation), -3, -2 and -1 days before the clinical TR:TREATMENT_SUMMARY diagnosis. A total of 455 serum samples were retrieved from 152 patients, TR:TREATMENT_SUMMARY including 114 samples from 38 non-infected patients making an uncomplicated TR:TREATMENT_SUMMARY postoperative recovery (referred to as Control), 117 samples from 39 patients TR:TREATMENT_SUMMARY developing a systemic inflammatory response (SIRS), 107 samples from 36 patients TR:TREATMENT_SUMMARY diagnosed with uncomplicated infection (UnInf), and 117 samples from 39 patients TR:TREATMENT_SUMMARY diagnosed with sepsis. #SAMPLEPREP SP:SAMPLEPREP_SUMMARY For semi-polar metabolite analysis, serum samples (50 μl) were diluted with a SP:SAMPLEPREP_SUMMARY mixture of acetonitrile, methanol, formic acid and stable isotope labelled SP:SAMPLEPREP_SUMMARY internal standards (200 μl 1.00:0.99:0.01 v/ v/ v). The extracts were then SP:SAMPLEPREP_SUMMARY passed through a phosphor lipid removal cartridge (Phree, Phenomenex) using SP:SAMPLEPREP_SUMMARY centrifugation (1 400 rpm, 4°C, 10 min). An aliquot (100 μl) was transferred SP:SAMPLEPREP_SUMMARY into a high recovery HPLC vial and the solvent was removed under a gentle flow SP:SAMPLEPREP_SUMMARY of nitrogen. Extracts were reconstituted in a reverse phase mobile phase mixture SP:SAMPLEPREP_SUMMARY (100 μl, 10% B in 90% A). #CHROMATOGRAPHY CH:CHROMATOGRAPHY_SUMMARY Sample analysis was carried out by MS-Omics. The UHPLC was performed using a CH:CHROMATOGRAPHY_SUMMARY adapted version of the protocol described by Doneanu et al(UPLC/MS Monitoring of CH:CHROMATOGRAPHY_SUMMARY Water-Soluble Vitamin Bs in Cell Culture Media in Minutes, Water Application CH:CHROMATOGRAPHY_SUMMARY note 2011, 720004042en). The analysis was carried out using a Thermo Scientific CH:CHROMATOGRAPHY_SUMMARY Vanquish LC coupled to a Q Exactive™ HF Hybrid Quadrupole-Orbitrap, Thermo CH:CHROMATOGRAPHY_SUMMARY Fisher Scientific. CH:METHODS_FILENAME Doneanu_etal.pdf CH:INSTRUMENT_NAME Thermo Vanquish CH:COLUMN_NAME Waters ACQUITY UPLC HSS T3 (150 x 2.1mm,1.8um) CH:COLUMN_TEMPERATURE 30 CH:FLOW_GRADIENT 0-2 min: 0 % B, 4 min 35% B, 6-14 min 90% B, 14.1-15 min 0% B. CH:FLOW_RATE 0.3mL/min CH:SOLVENT_A 100% water; 10 mM ammonium formate; 0.1% formic acid CH:SOLVENT_B 100% methanol; 10 mM ammonium formate; 0.1% formic acid CH:CHROMATOGRAPHY_TYPE Reversed phase #ANALYSIS AN:LABORATORY_NAME MS-Omics, Denmark AN:ANALYSIS_TYPE MS AN:ANALYSIS_PROTOCOL_FILE Doneanu_etal.pdf #MS MS:INSTRUMENT_NAME Thermo Q Exactive HF hybrid Orbitrap MS:INSTRUMENT_TYPE Orbitrap MS:MS_TYPE ESI MS:MS_COMMENTS Metabolomics processing was performed untargeted using Compound Discoverer 3.0 MS:MS_COMMENTS (Thermo Scientific) for peak picking and feature grouping, followed by a MS:MS_COMMENTS in-house annotation and curation pipeline written in MatLab (2021b, MathWorks). MS:MS_COMMENTS Identification of compounds were performed at four levels; Level 1: MS:MS_COMMENTS identification by retention times (compared against in-house authentic MS:MS_COMMENTS standards), accurate mass (with an accepted deviation of 3ppm), and MS/MS MS:MS_COMMENTS spectra, Level 2a: identification by retention times (compared against in-house MS:MS_COMMENTS authentic standards), accurate mass (with an accepted deviation of 3ppm). Level MS:MS_COMMENTS 2b: identification by accurate mass (with an accepted deviation of 3ppm), and MS:MS_COMMENTS MS/MS spectra, Level 3: identification by accurate mass alone (with an accepted MS:MS_COMMENTS deviation of 3ppm). The data have been normalized to the QC samples to remove MS:MS_COMMENTS systematic drift over the analysis sequence. The normalization is performed MS:MS_COMMENTS using linear regression for the QC’s within each analytical batch with signal MS:MS_COMMENTS = a*injection number – b. Each value is then normalized with: normSignal = MS:MS_COMMENTS average(all QC samples)*(signal – injection number*a)/b. This is done MS:MS_COMMENTS independently for each compound. MS:ION_MODE NEGATIVE MS:MS_RESULTS_FILE ST003439_AN005671_Results.txt UNITS:Normalized peak area Has RT:Yes RT units:Minutes #MS_METABOLITE_DATA MS_METABOLITE_DATA:UNITS Normalized peak area MS_METABOLITE_DATA_START Samples CS12948 CS12951 CS12954 CS12957 CS12981 CS12989 CS13001 CS13004 CS13007 CS13010 CS13013 CS13016 CS13019 CS13089 CS13092 CS13095 CS13098 CS13101 CS13104 CS13107 CS13110 CS13113 CS13116 CS13149 CS13164 CS13179 CS13182 CS13194 CS13215 CS13218 CS13221 CS13239 CS13254 CS13257 CS13317 CS13320 CS13335 CS13338 CS13018 CS13178 CS13181 CS12947 CS12950 CS12953 CS12956 CS12980 CS13000 CS13003 CS13006 CS13009 CS13012 CS13015 CS13088 CS13091 CS13094 CS13097 CS13100 CS13103 CS13106 CS13109 CS13112 CS13115 CS13148 CS13163 CS13193 CS13214 CS13217 CS13220 CS13238 CS13253 CS13256 CS13316 CS13319 CS13334 CS13337 CS13378 CS12946 CS12949 CS12952 CS12955 CS12979 CS12988 CS12999 CS13002 CS13005 CS13008 CS13011 CS13014 CS13017 CS13087 CS13090 CS13093 CS13096 CS13099 CS13102 CS13105 CS13108 CS13111 CS13114 CS13147 CS13162 CS13177 CS13180 CS13192 CS13213 CS13216 CS13219 CS13237 CS13252 CS13255 CS13315 CS13318 CS13333 CS13336 CS12927 CS12939 CS12942 CS12960 CS12963 CS12966 CS12969 CS12972 CS12984 CS12992 CS13028 CS13031 CS13036 CS13039 CS13042 CS13045 CS13051 CS13056 CS13065 CS13071 CS13080 CS13161 CS13197 CS13203 CS13209 CS13212 CS13242 CS13248 CS13269 CS13275 CS13278 CS13284 CS13290 CS13299 CS13302 CS13305 CS13314 CS13332 CS13344 CS12926 CS12938 CS12941 CS12959 CS12962 CS12965 CS12968 CS12971 CS12983 CS12991 CS13027 CS13030 CS13035 CS13038 CS13041 CS13044 CS13050 CS13055 CS13064 CS13070 CS13079 CS13160 CS13196 CS13202 CS13208 CS13211 CS13241 CS13247 CS13268 CS13274 CS13277 CS13283 CS13289 CS13298 CS13301 CS13304 CS13313 CS13331 CS13343 CS12925 CS12937 CS12940 CS12958 CS12961 CS12964 CS12967 CS12970 CS12982 CS12990 CS13026 CS13029 CS13034 CS13037 CS13040 CS13043 CS13049 CS13054 CS13063 CS13069 CS13078 CS13159 CS13195 CS13201 CS13207 CS13210 CS13240 CS13246 CS13267 CS13273 CS13276 CS13282 CS13288 CS13297 CS13300 CS13303 CS13312 CS13330 CS13342 CS12998 CS13022 CS13025 CS13086 CS13119 CS13122 CS13125 CS13128 CS13131 CS13134 CS13137 CS13140 CS13143 CS13146 CS13152 CS13155 CS13158 CS13173 CS13185 CS13188 CS13191 CS13224 CS13227 CS13230 CS13233 CS13236 CS13260 CS13293 CS13296 CS13341 CS13347 CS13350 CS13353 CS13356 CS13359 CS13362 CS13365 CS13368 CS13371 CS13145 CS13151 CS13154 CS13157 CS13184 CS13187 CS13235 CS12997 CS13021 CS13024 CS13085 CS13118 CS13121 CS13124 CS13127 CS13130 CS13133 CS13136 CS13139 CS13142 CS13172 CS13190 CS13223 CS13226 CS13229 CS13232 CS13259 CS13292 CS13295 CS13340 CS13346 CS13349 CS13352 CS13355 CS13358 CS13361 CS13364 CS13367 CS13370 CS12996 CS13020 CS13023 CS13084 CS13117 CS13120 CS13123 CS13126 CS13129 CS13132 CS13135 CS13138 CS13141 CS13144 CS13150 CS13153 CS13156 CS13171 CS13183 CS13186 CS13189 CS13222 CS13225 CS13228 CS13231 CS13234 CS13258 CS13291 CS13294 CS13339 CS13345 CS13348 CS13351 CS13354 CS13357 CS13360 CS13363 CS13366 CS13369 CS12924 CS12930 CS12933 CS12936 CS12945 CS12975 CS12978 CS12987 CS12994 CS13033 CS13048 CS13053 CS13059 CS13062 CS13068 CS13074 CS13077 CS13083 CS13167 CS13176 CS13200 CS13206 CS13245 CS13251 CS13263 CS13266 CS13272 CS13281 CS13287 CS13308 CS13311 CS13323 CS13326 CS13329 CS13374 CS13377 CS13047 CS13052 CS13058 CS13061 CS13067 CS13076 CS13082 CS13166 CS13169 CS13244 CS13250 CS13271 CS13280 CS13286 CS13373 CS13376 CS12923 CS12929 CS12932 CS12935 CS12944 CS12974 CS12977 CS12986 CS13073 CS13175 CS13199 CS13205 CS13262 CS13265 CS13307 CS13310 CS13322 CS13325 CS13328 CS12922 CS12928 CS12931 CS12934 CS12943 CS12973 CS12976 CS12985 CS12993 CS13032 CS13046 CS13057 CS13060 CS13066 CS13072 CS13075 CS13081 CS13165 CS13170 CS13174 CS13198 CS13204 CS13243 CS13249 CS13261 CS13264 CS13270 CS13279 CS13285 CS13306 CS13309 CS13321 CS13324 CS13327 CS13372 CS13375 Factors Sample source:blood | Group:Control | Timepoint:-1 Sample source:blood | Group:Control | Timepoint:-1 Sample source:blood | Group:Control | Timepoint:-1 Sample source:blood | Group:Control | Timepoint:-1 Sample source:blood | Group:Control | Timepoint:-1 Sample source:blood | Group:Control | Timepoint:-1 Sample source:blood | Group:Control | Timepoint:-1 Sample source:blood | Group:Control | Timepoint:-1 Sample source:blood | Group:Control | Timepoint:-1 Sample source:blood | Group:Control | Timepoint:-1 Sample source:blood | Group:Control | Timepoint:-1 Sample source:blood | Group:Control | Timepoint:-1 Sample source:blood | Group:Control | Timepoint:-1 Sample source:blood | Group:Control | Timepoint:-1 Sample source:blood | Group:Control | Timepoint:-1 Sample source:blood | Group:Control | Timepoint:-1 Sample source:blood | Group:Control | Timepoint:-1 Sample source:blood | Group:Control | Timepoint:-1 Sample source:blood | Group:Control | Timepoint:-1 Sample source:blood | Group:Control | Timepoint:-1 Sample source:blood | Group:Control | Timepoint:-1 Sample source:blood | Group:Control | Timepoint:-1 Sample source:blood | Group:Control | Timepoint:-1 Sample source:blood | Group:Control | Timepoint:-1 Sample source:blood | Group:Control | Timepoint:-1 Sample source:blood | Group:Control | Timepoint:-1 Sample source:blood | Group:Control | Timepoint:-1 Sample source:blood | Group:Control | Timepoint:-1 Sample source:blood | Group:Control | Timepoint:-1 Sample source:blood | Group:Control | Timepoint:-1 Sample source:blood | Group:Control | Timepoint:-1 Sample source:blood | Group:Control | Timepoint:-1 Sample source:blood | Group:Control | Timepoint:-1 Sample source:blood | Group:Control | Timepoint:-1 Sample source:blood | Group:Control | Timepoint:-1 Sample source:blood | Group:Control | Timepoint:-1 Sample source:blood | Group:Control | Timepoint:-1 Sample source:blood | Group:Control | Timepoint:-1 Sample source:blood | Group:Control | Timepoint:-2 Sample source:blood | Group:Control | Timepoint:-2 Sample source:blood | Group:Control | Timepoint:-2 Sample source:blood | Group:Control | Timepoint:-3 Sample source:blood | Group:Control | Timepoint:-3 Sample source:blood | Group:Control | Timepoint:-3 Sample source:blood | Group:Control | Timepoint:-3 Sample source:blood | Group:Control | Timepoint:-3 Sample source:blood | Group:Control | Timepoint:-3 Sample source:blood | Group:Control | Timepoint:-3 Sample source:blood | Group:Control | Timepoint:-3 Sample source:blood | Group:Control | Timepoint:-3 Sample source:blood | Group:Control | Timepoint:-3 Sample source:blood | Group:Control | Timepoint:-3 Sample source:blood | Group:Control | Timepoint:-3 Sample source:blood | Group:Control | Timepoint:-3 Sample source:blood | Group:Control | Timepoint:-3 Sample source:blood | Group:Control | Timepoint:-3 Sample source:blood | Group:Control | Timepoint:-3 Sample source:blood | Group:Control | Timepoint:-3 Sample source:blood | Group:Control | Timepoint:-3 Sample source:blood | Group:Control | Timepoint:-3 Sample source:blood | Group:Control | Timepoint:-3 Sample source:blood | Group:Control | Timepoint:-3 Sample source:blood | Group:Control | Timepoint:-3 Sample source:blood | Group:Control | Timepoint:-3 Sample source:blood | Group:Control | Timepoint:-3 Sample source:blood | Group:Control | Timepoint:-3 Sample source:blood | Group:Control | Timepoint:-3 Sample source:blood | Group:Control | Timepoint:-3 Sample source:blood | Group:Control | Timepoint:-3 Sample source:blood | Group:Control | Timepoint:-3 Sample source:blood | Group:Control | Timepoint:-3 Sample source:blood | Group:Control | Timepoint:-3 Sample source:blood | Group:Control | Timepoint:-3 Sample source:blood | Group:Control | Timepoint:-3 Sample source:blood | Group:Control | Timepoint:-3 Sample source:blood | Group:Control | Timepoint:-3 Sample source:blood | Group:Control | Timepoint:Pre Sample source:blood | Group:Control | Timepoint:Pre Sample source:blood | Group:Control | Timepoint:Pre Sample source:blood | Group:Control | Timepoint:Pre Sample source:blood | Group:Control | Timepoint:Pre Sample source:blood | Group:Control | Timepoint:Pre Sample source:blood | Group:Control | Timepoint:Pre Sample source:blood | Group:Control | Timepoint:Pre Sample source:blood | Group:Control | Timepoint:Pre Sample source:blood | Group:Control | Timepoint:Pre Sample source:blood | Group:Control | Timepoint:Pre Sample source:blood | Group:Control | Timepoint:Pre Sample source:blood | Group:Control | Timepoint:Pre Sample source:blood | Group:Control | Timepoint:Pre Sample source:blood | Group:Control | Timepoint:Pre Sample source:blood | Group:Control | Timepoint:Pre Sample source:blood | Group:Control | Timepoint:Pre Sample source:blood | Group:Control | Timepoint:Pre Sample source:blood | Group:Control | Timepoint:Pre Sample source:blood | Group:Control | Timepoint:Pre Sample source:blood | Group:Control | Timepoint:Pre Sample source:blood | Group:Control | Timepoint:Pre Sample source:blood | Group:Control | Timepoint:Pre Sample source:blood | Group:Control | Timepoint:Pre Sample source:blood | Group:Control | Timepoint:Pre Sample source:blood | Group:Control | Timepoint:Pre Sample source:blood | Group:Control | Timepoint:Pre Sample source:blood | Group:Control | Timepoint:Pre Sample source:blood | Group:Control | Timepoint:Pre Sample source:blood | Group:Control | Timepoint:Pre Sample source:blood | Group:Control | Timepoint:Pre Sample source:blood | Group:Control | Timepoint:Pre Sample source:blood | Group:Control | Timepoint:Pre Sample source:blood | Group:Control | Timepoint:Pre Sample source:blood | Group:Control | Timepoint:Pre Sample source:blood | Group:Control | Timepoint:Pre Sample source:blood | Group:Control | Timepoint:Pre Sample source:blood | Group:Control | Timepoint:Pre Sample source:blood | Group:Sepsis | Timepoint:-1 Sample source:blood | Group:Sepsis | Timepoint:-1 Sample source:blood | Group:Sepsis | Timepoint:-1 Sample source:blood | Group:Sepsis | Timepoint:-1 Sample source:blood | Group:Sepsis | Timepoint:-1 Sample source:blood | Group:Sepsis | Timepoint:-1 Sample source:blood | Group:Sepsis | Timepoint:-1 Sample source:blood | Group:Sepsis | Timepoint:-1 Sample source:blood | Group:Sepsis | Timepoint:-1 Sample source:blood | Group:Sepsis | Timepoint:-1 Sample source:blood | Group:Sepsis | Timepoint:-1 Sample source:blood | Group:Sepsis | Timepoint:-1 Sample source:blood | Group:Sepsis | Timepoint:-1 Sample source:blood | Group:Sepsis | Timepoint:-1 Sample source:blood | Group:Sepsis | Timepoint:-1 Sample source:blood | Group:Sepsis | Timepoint:-1 Sample source:blood | Group:Sepsis | Timepoint:-1 Sample source:blood | Group:Sepsis | Timepoint:-1 Sample source:blood | Group:Sepsis | Timepoint:-1 Sample source:blood | Group:Sepsis | Timepoint:-1 Sample source:blood | Group:Sepsis | Timepoint:-1 Sample source:blood | Group:Sepsis | Timepoint:-1 Sample source:blood | Group:Sepsis | Timepoint:-1 Sample source:blood | Group:Sepsis | Timepoint:-1 Sample source:blood | Group:Sepsis | Timepoint:-1 Sample source:blood | Group:Sepsis | Timepoint:-1 Sample source:blood | Group:Sepsis | Timepoint:-1 Sample source:blood | Group:Sepsis | Timepoint:-1 Sample source:blood | Group:Sepsis | Timepoint:-1 Sample source:blood | Group:Sepsis | Timepoint:-1 Sample source:blood | Group:Sepsis | Timepoint:-1 Sample source:blood | Group:Sepsis | Timepoint:-1 Sample source:blood | Group:Sepsis | Timepoint:-1 Sample source:blood | Group:Sepsis | Timepoint:-1 Sample source:blood | Group:Sepsis | Timepoint:-1 Sample source:blood | Group:Sepsis | Timepoint:-1 Sample source:blood | Group:Sepsis | Timepoint:-1 Sample source:blood | Group:Sepsis | Timepoint:-1 Sample source:blood | Group:Sepsis | Timepoint:-1 Sample source:blood | Group:Sepsis | Timepoint:-3 Sample source:blood | Group:Sepsis | Timepoint:-3 Sample source:blood | Group:Sepsis | Timepoint:-3 Sample source:blood | Group:Sepsis | Timepoint:-3 Sample source:blood | Group:Sepsis | Timepoint:-3 Sample source:blood | Group:Sepsis | Timepoint:-3 Sample source:blood | Group:Sepsis | Timepoint:-3 Sample source:blood | Group:Sepsis | Timepoint:-3 Sample source:blood | Group:Sepsis | Timepoint:-3 Sample source:blood | Group:Sepsis | Timepoint:-3 Sample source:blood | Group:Sepsis | Timepoint:-3 Sample source:blood | Group:Sepsis | Timepoint:-3 Sample source:blood | Group:Sepsis | Timepoint:-3 Sample source:blood | Group:Sepsis | Timepoint:-3 Sample source:blood | Group:Sepsis | Timepoint:-3 Sample source:blood | Group:Sepsis | Timepoint:-3 Sample source:blood | Group:Sepsis | Timepoint:-3 Sample source:blood | Group:Sepsis | Timepoint:-3 Sample source:blood | Group:Sepsis | Timepoint:-3 Sample source:blood | Group:Sepsis | Timepoint:-3 Sample source:blood | Group:Sepsis | Timepoint:-3 Sample source:blood | Group:Sepsis | Timepoint:-3 Sample source:blood | Group:Sepsis | Timepoint:-3 Sample source:blood | Group:Sepsis | Timepoint:-3 Sample source:blood | Group:Sepsis | Timepoint:-3 Sample source:blood | Group:Sepsis | Timepoint:-3 Sample source:blood | Group:Sepsis | Timepoint:-3 Sample source:blood | Group:Sepsis | Timepoint:-3 Sample source:blood | Group:Sepsis | Timepoint:-3 Sample source:blood | Group:Sepsis | Timepoint:-3 Sample source:blood | Group:Sepsis | Timepoint:-3 Sample source:blood | Group:Sepsis | Timepoint:-3 Sample source:blood | Group:Sepsis | Timepoint:-3 Sample source:blood | Group:Sepsis | Timepoint:-3 Sample source:blood | Group:Sepsis | Timepoint:-3 Sample source:blood | Group:Sepsis | Timepoint:-3 Sample source:blood | Group:Sepsis | Timepoint:-3 Sample source:blood | Group:Sepsis | Timepoint:-3 Sample source:blood | Group:Sepsis | Timepoint:-3 Sample source:blood | Group:Sepsis | Timepoint:Pre Sample source:blood | Group:Sepsis | Timepoint:Pre Sample source:blood | Group:Sepsis | Timepoint:Pre Sample source:blood | Group:Sepsis | Timepoint:Pre Sample source:blood | Group:Sepsis | Timepoint:Pre Sample source:blood | Group:Sepsis | Timepoint:Pre Sample source:blood | Group:Sepsis | Timepoint:Pre Sample source:blood | Group:Sepsis | Timepoint:Pre Sample source:blood | Group:Sepsis | Timepoint:Pre Sample source:blood | Group:Sepsis | Timepoint:Pre Sample source:blood | Group:Sepsis | Timepoint:Pre Sample source:blood | Group:Sepsis | Timepoint:Pre Sample source:blood | Group:Sepsis | Timepoint:Pre Sample source:blood | Group:Sepsis | Timepoint:Pre Sample source:blood | Group:Sepsis | Timepoint:Pre Sample source:blood | Group:Sepsis | Timepoint:Pre Sample source:blood | Group:Sepsis | Timepoint:Pre Sample source:blood | Group:Sepsis | Timepoint:Pre Sample source:blood | Group:Sepsis | Timepoint:Pre Sample source:blood | Group:Sepsis | Timepoint:Pre Sample source:blood | Group:Sepsis | Timepoint:Pre Sample source:blood | Group:Sepsis | Timepoint:Pre Sample source:blood | Group:Sepsis | Timepoint:Pre Sample source:blood | Group:Sepsis | Timepoint:Pre Sample source:blood | Group:Sepsis | Timepoint:Pre Sample source:blood | Group:Sepsis | Timepoint:Pre Sample source:blood | Group:Sepsis | Timepoint:Pre Sample source:blood | Group:Sepsis | Timepoint:Pre Sample source:blood | Group:Sepsis | Timepoint:Pre Sample source:blood | Group:Sepsis | Timepoint:Pre Sample source:blood | Group:Sepsis | Timepoint:Pre Sample source:blood | Group:Sepsis | Timepoint:Pre Sample source:blood | Group:Sepsis | Timepoint:Pre Sample source:blood | Group:Sepsis | Timepoint:Pre Sample source:blood | Group:Sepsis | Timepoint:Pre Sample source:blood | Group:Sepsis | Timepoint:Pre Sample source:blood | Group:Sepsis | Timepoint:Pre Sample source:blood | Group:Sepsis | Timepoint:Pre Sample source:blood | Group:Sepsis | Timepoint:Pre Sample source:blood | Group:SIRS | Timepoint:-1 Sample source:blood | Group:SIRS | Timepoint:-1 Sample source:blood | Group:SIRS | Timepoint:-1 Sample source:blood | Group:SIRS | Timepoint:-1 Sample source:blood | Group:SIRS | Timepoint:-1 Sample source:blood | Group:SIRS | Timepoint:-1 Sample source:blood | Group:SIRS | Timepoint:-1 Sample source:blood | Group:SIRS | Timepoint:-1 Sample source:blood | Group:SIRS | Timepoint:-1 Sample source:blood | Group:SIRS | Timepoint:-1 Sample source:blood | Group:SIRS | Timepoint:-1 Sample source:blood | Group:SIRS | Timepoint:-1 Sample source:blood | Group:SIRS | Timepoint:-1 Sample source:blood | Group:SIRS | Timepoint:-1 Sample source:blood | Group:SIRS | Timepoint:-1 Sample source:blood | Group:SIRS | Timepoint:-1 Sample source:blood | Group:SIRS | Timepoint:-1 Sample source:blood | Group:SIRS | Timepoint:-1 Sample source:blood | Group:SIRS | Timepoint:-1 Sample source:blood | Group:SIRS | Timepoint:-1 Sample source:blood | Group:SIRS | Timepoint:-1 Sample source:blood | Group:SIRS | Timepoint:-1 Sample source:blood | Group:SIRS | Timepoint:-1 Sample source:blood | Group:SIRS | Timepoint:-1 Sample source:blood | Group:SIRS | Timepoint:-1 Sample source:blood | Group:SIRS | Timepoint:-1 Sample source:blood | Group:SIRS | Timepoint:-1 Sample source:blood | Group:SIRS | Timepoint:-1 Sample source:blood | Group:SIRS | Timepoint:-1 Sample source:blood | Group:SIRS | Timepoint:-1 Sample source:blood | Group:SIRS | Timepoint:-1 Sample source:blood | Group:SIRS | Timepoint:-1 Sample source:blood | Group:SIRS | Timepoint:-1 Sample source:blood | Group:SIRS | Timepoint:-1 Sample source:blood | Group:SIRS | Timepoint:-1 Sample source:blood | Group:SIRS | Timepoint:-1 Sample source:blood | Group:SIRS | Timepoint:-1 Sample source:blood | Group:SIRS | Timepoint:-1 Sample source:blood | Group:SIRS | Timepoint:-1 Sample source:blood | Group:SIRS | Timepoint:-2 Sample source:blood | Group:SIRS | Timepoint:-2 Sample source:blood | Group:SIRS | Timepoint:-2 Sample source:blood | Group:SIRS | Timepoint:-2 Sample source:blood | Group:SIRS | Timepoint:-2 Sample source:blood | Group:SIRS | Timepoint:-2 Sample source:blood | Group:SIRS | Timepoint:-2 Sample source:blood | Group:SIRS | Timepoint:-3 Sample source:blood | Group:SIRS | Timepoint:-3 Sample source:blood | Group:SIRS | Timepoint:-3 Sample source:blood | Group:SIRS | Timepoint:-3 Sample source:blood | Group:SIRS | Timepoint:-3 Sample source:blood | Group:SIRS | Timepoint:-3 Sample source:blood | Group:SIRS | Timepoint:-3 Sample source:blood | Group:SIRS | Timepoint:-3 Sample source:blood | Group:SIRS | Timepoint:-3 Sample source:blood | Group:SIRS | Timepoint:-3 Sample source:blood | Group:SIRS | Timepoint:-3 Sample source:blood | Group:SIRS | Timepoint:-3 Sample source:blood | Group:SIRS | Timepoint:-3 Sample source:blood | Group:SIRS | Timepoint:-3 Sample source:blood | Group:SIRS | Timepoint:-3 Sample source:blood | Group:SIRS | Timepoint:-3 Sample source:blood | Group:SIRS | Timepoint:-3 Sample source:blood | Group:SIRS | Timepoint:-3 Sample source:blood | Group:SIRS | Timepoint:-3 Sample source:blood | Group:SIRS | Timepoint:-3 Sample source:blood | Group:SIRS | Timepoint:-3 Sample source:blood | Group:SIRS | Timepoint:-3 Sample source:blood | Group:SIRS | Timepoint:-3 Sample source:blood | Group:SIRS | Timepoint:-3 Sample source:blood | Group:SIRS | Timepoint:-3 Sample source:blood | Group:SIRS | Timepoint:-3 Sample source:blood | Group:SIRS | Timepoint:-3 Sample source:blood | Group:SIRS | Timepoint:-3 Sample source:blood | Group:SIRS | Timepoint:-3 Sample source:blood | Group:SIRS | Timepoint:-3 Sample source:blood | Group:SIRS | Timepoint:-3 Sample source:blood | Group:SIRS | Timepoint:-3 Sample source:blood | Group:SIRS | Timepoint:Pre Sample source:blood | Group:SIRS | Timepoint:Pre Sample source:blood | Group:SIRS | Timepoint:Pre Sample source:blood | Group:SIRS | Timepoint:Pre Sample source:blood | Group:SIRS | Timepoint:Pre Sample source:blood | Group:SIRS | Timepoint:Pre Sample source:blood | Group:SIRS | Timepoint:Pre Sample source:blood | Group:SIRS | Timepoint:Pre Sample source:blood | Group:SIRS | Timepoint:Pre Sample source:blood | Group:SIRS | Timepoint:Pre Sample source:blood | Group:SIRS | Timepoint:Pre Sample source:blood | Group:SIRS | Timepoint:Pre Sample source:blood | Group:SIRS | Timepoint:Pre Sample source:blood | Group:SIRS | Timepoint:Pre Sample source:blood | Group:SIRS | Timepoint:Pre Sample source:blood | Group:SIRS | Timepoint:Pre Sample source:blood | Group:SIRS | Timepoint:Pre Sample source:blood | Group:SIRS | Timepoint:Pre Sample source:blood | Group:SIRS | Timepoint:Pre Sample source:blood | Group:SIRS | Timepoint:Pre Sample source:blood | Group:SIRS | Timepoint:Pre Sample source:blood | Group:SIRS | Timepoint:Pre Sample source:blood | Group:SIRS | Timepoint:Pre Sample source:blood | Group:SIRS | Timepoint:Pre Sample source:blood | Group:SIRS | Timepoint:Pre Sample source:blood | Group:SIRS | Timepoint:Pre Sample source:blood | Group:SIRS | Timepoint:Pre Sample source:blood | Group:SIRS | Timepoint:Pre Sample source:blood | Group:SIRS | Timepoint:Pre Sample source:blood | Group:SIRS | Timepoint:Pre Sample source:blood | Group:SIRS | Timepoint:Pre Sample source:blood | Group:SIRS | Timepoint:Pre Sample source:blood | Group:SIRS | Timepoint:Pre Sample source:blood | Group:SIRS | Timepoint:Pre Sample source:blood | Group:SIRS | Timepoint:Pre Sample source:blood | Group:SIRS | Timepoint:Pre Sample source:blood | Group:SIRS | Timepoint:Pre Sample source:blood | Group:SIRS | Timepoint:Pre Sample source:blood | Group:SIRS | Timepoint:Pre Sample source:blood | Group:Uncomplicated Infection | Timepoint:-1 Sample source:blood | Group:Uncomplicated Infection | Timepoint:-1 Sample source:blood | Group:Uncomplicated Infection | Timepoint:-1 Sample source:blood | Group:Uncomplicated Infection | Timepoint:-1 Sample source:blood | Group:Uncomplicated Infection | Timepoint:-1 Sample source:blood | Group:Uncomplicated Infection | Timepoint:-1 Sample source:blood | Group:Uncomplicated Infection | Timepoint:-1 Sample source:blood | Group:Uncomplicated Infection | Timepoint:-1 Sample source:blood | Group:Uncomplicated Infection | Timepoint:-1 Sample source:blood | Group:Uncomplicated Infection | Timepoint:-1 Sample source:blood | Group:Uncomplicated Infection | Timepoint:-1 Sample source:blood | Group:Uncomplicated Infection | Timepoint:-1 Sample source:blood | Group:Uncomplicated Infection | Timepoint:-1 Sample source:blood | Group:Uncomplicated Infection | Timepoint:-1 Sample source:blood | Group:Uncomplicated Infection | Timepoint:-1 Sample source:blood | Group:Uncomplicated Infection | Timepoint:-1 Sample source:blood | Group:Uncomplicated Infection | Timepoint:-1 Sample source:blood | Group:Uncomplicated Infection | Timepoint:-1 Sample source:blood | Group:Uncomplicated Infection | Timepoint:-1 Sample source:blood | Group:Uncomplicated Infection | Timepoint:-1 Sample source:blood | Group:Uncomplicated Infection | Timepoint:-1 Sample source:blood | Group:Uncomplicated Infection | Timepoint:-1 Sample source:blood | Group:Uncomplicated Infection | Timepoint:-1 Sample source:blood | Group:Uncomplicated Infection | Timepoint:-1 Sample source:blood | Group:Uncomplicated Infection | Timepoint:-1 Sample source:blood | Group:Uncomplicated Infection | Timepoint:-1 Sample source:blood | Group:Uncomplicated Infection | Timepoint:-1 Sample source:blood | Group:Uncomplicated Infection | Timepoint:-1 Sample source:blood | Group:Uncomplicated Infection | Timepoint:-1 Sample source:blood | Group:Uncomplicated Infection | Timepoint:-1 Sample source:blood | Group:Uncomplicated Infection | Timepoint:-1 Sample source:blood | Group:Uncomplicated Infection | Timepoint:-1 Sample source:blood | Group:Uncomplicated Infection | Timepoint:-1 Sample source:blood | Group:Uncomplicated Infection | Timepoint:-1 Sample source:blood | Group:Uncomplicated Infection | Timepoint:-1 Sample source:blood | Group:Uncomplicated Infection | Timepoint:-1 Sample source:blood | Group:Uncomplicated Infection | Timepoint:-2 Sample source:blood | Group:Uncomplicated Infection | Timepoint:-2 Sample source:blood | Group:Uncomplicated Infection | Timepoint:-2 Sample source:blood | Group:Uncomplicated Infection | Timepoint:-2 Sample source:blood | Group:Uncomplicated Infection | Timepoint:-2 Sample source:blood | Group:Uncomplicated Infection | Timepoint:-2 Sample source:blood | Group:Uncomplicated Infection | Timepoint:-2 Sample source:blood | Group:Uncomplicated Infection | Timepoint:-2 Sample source:blood | Group:Uncomplicated Infection | Timepoint:-2 Sample source:blood | Group:Uncomplicated Infection | Timepoint:-2 Sample source:blood | Group:Uncomplicated Infection | Timepoint:-2 Sample source:blood | Group:Uncomplicated Infection | Timepoint:-2 Sample source:blood | Group:Uncomplicated Infection | Timepoint:-2 Sample source:blood | Group:Uncomplicated Infection | Timepoint:-2 Sample source:blood | Group:Uncomplicated Infection | Timepoint:-2 Sample source:blood | Group:Uncomplicated Infection | Timepoint:-2 Sample source:blood | Group:Uncomplicated Infection | Timepoint:-3 Sample source:blood | Group:Uncomplicated Infection | Timepoint:-3 Sample source:blood | Group:Uncomplicated Infection | Timepoint:-3 Sample source:blood | Group:Uncomplicated Infection | Timepoint:-3 Sample source:blood | Group:Uncomplicated Infection | Timepoint:-3 Sample source:blood | Group:Uncomplicated Infection | Timepoint:-3 Sample source:blood | Group:Uncomplicated Infection | Timepoint:-3 Sample source:blood | Group:Uncomplicated Infection | Timepoint:-3 Sample source:blood | Group:Uncomplicated Infection | Timepoint:-3 Sample source:blood | Group:Uncomplicated Infection | Timepoint:-3 Sample source:blood | Group:Uncomplicated Infection | Timepoint:-3 Sample source:blood | Group:Uncomplicated Infection | Timepoint:-3 Sample source:blood | Group:Uncomplicated Infection | Timepoint:-3 Sample source:blood | Group:Uncomplicated Infection | Timepoint:-3 Sample source:blood | Group:Uncomplicated Infection | Timepoint:-3 Sample source:blood | Group:Uncomplicated Infection | Timepoint:-3 Sample source:blood | Group:Uncomplicated Infection | Timepoint:-3 Sample source:blood | Group:Uncomplicated Infection | Timepoint:-3 Sample source:blood | Group:Uncomplicated Infection | Timepoint:-3 Sample source:blood | Group:Uncomplicated Infection | Timepoint:Pre Sample source:blood | Group:Uncomplicated Infection | Timepoint:Pre Sample source:blood | Group:Uncomplicated Infection | Timepoint:Pre Sample source:blood | Group:Uncomplicated Infection | Timepoint:Pre Sample source:blood | Group:Uncomplicated Infection | Timepoint:Pre Sample source:blood | Group:Uncomplicated Infection | Timepoint:Pre Sample source:blood | Group:Uncomplicated Infection | Timepoint:Pre Sample source:blood | Group:Uncomplicated Infection | Timepoint:Pre Sample source:blood | Group:Uncomplicated Infection | Timepoint:Pre Sample source:blood | Group:Uncomplicated Infection | Timepoint:Pre Sample source:blood | Group:Uncomplicated Infection | Timepoint:Pre Sample source:blood | Group:Uncomplicated Infection | Timepoint:Pre Sample source:blood | Group:Uncomplicated Infection | Timepoint:Pre Sample source:blood | Group:Uncomplicated Infection | Timepoint:Pre Sample source:blood | Group:Uncomplicated Infection | Timepoint:Pre Sample source:blood | Group:Uncomplicated Infection | Timepoint:Pre Sample source:blood | Group:Uncomplicated Infection | Timepoint:Pre Sample source:blood | Group:Uncomplicated Infection | Timepoint:Pre Sample source:blood | Group:Uncomplicated Infection | Timepoint:Pre Sample source:blood | Group:Uncomplicated Infection | Timepoint:Pre Sample source:blood | Group:Uncomplicated Infection | Timepoint:Pre Sample source:blood | Group:Uncomplicated Infection | Timepoint:Pre Sample source:blood | Group:Uncomplicated Infection | Timepoint:Pre Sample source:blood | Group:Uncomplicated Infection | Timepoint:Pre Sample source:blood | Group:Uncomplicated Infection | Timepoint:Pre Sample source:blood | Group:Uncomplicated Infection | Timepoint:Pre Sample source:blood | Group:Uncomplicated Infection | Timepoint:Pre Sample source:blood | Group:Uncomplicated Infection | Timepoint:Pre Sample source:blood | Group:Uncomplicated Infection | Timepoint:Pre Sample source:blood | Group:Uncomplicated Infection | Timepoint:Pre Sample source:blood | Group:Uncomplicated Infection | Timepoint:Pre Sample source:blood | Group:Uncomplicated Infection | Timepoint:Pre Sample source:blood | Group:Uncomplicated Infection | Timepoint:Pre Sample source:blood | Group:Uncomplicated Infection | Timepoint:Pre Sample source:blood | Group:Uncomplicated Infection | Timepoint:Pre Sample source:blood | Group:Uncomplicated Infection | Timepoint:Pre (±)11-HETE 1041716.9859 372185.7638 83284.9387 735120.4940 2568894.3996 29906.3751 353716.7374 346635.2009 444569.8086 2815460.4670 21077.6775 10954.3044 818820.1275 397973.2325 9587634.3096 3450580.4759 539654.9478 412039.1411 357449.7358 338613.6498 217914.1784 374383.9071 127519.1152 629677.2433 2300799.9234 12631.5577 443008.0129 4998533.1352 21480.6543 1588189.0219 391682.4812 2008591.6003 3776994.6919 856094.6873 410221.9700 231137.3266 354016.8251 120681.9460 370999.3324 838330.4792 3150929.7635 356199.8107 443515.7364 2614275.5222 4824.0920 925529.5464 396493.0659 6554032.2887 1619460.3503 50560.9848 411422.4624 369171.4388 1483337.3096 4182406.5999 1133386.8717 364011.1363 414391.2939 994329.7999 363186.5420 355916.6063 2345662.8472 423129.7115 1494083.8298 432003.4102 384197.7204 409390.1243 452525.9032 354088.4313 147017.9273 3001886.4017 8635176.3649 1094443.5057 55814.0478 2845080.9802 235808.1960 364875.6795 65111.6778 369280.0100 375696.5746 1834090.3374 446170.9787 578300.8819 432172.7881 385478.4259 452911.3466 349219.7748 21301.6764 6149780.8346 7734779.9371 1479907.8456 3734616.6974 1226774.8989 219126.0933 286022.8353 14049.2166 99762.2615 369790.6842 361300.9459 4111013.7680 445695.7777 3332127.1674 433721.1754 385050.1831 453376.4184 350568.9920 309169.3350 3657975.2835 12402482.1187 448037.2245 2052349.5978 907839.2738 153323.1366 382364.8124 428324.4520 434008.1450 48494.3937 1691.7282 387139.8964 1971811.4737 2313866.9941 353545.9325 398.5250 4364368.6689 954524.5467 914285.3934 739706.5981 800255.9254 422144.8080 433870.3406 448462.7730 5055624.3123 651253.1781 158019.2893 381591.2844 426792.0097 9754.0497 383881.3243 1411175.5791 630251.3934 50568.9784 429952.6577 3358224.5901 1571090.1644 407825.7328 862936.0669 422963.1559 430099.7108 1573443.8871 433456.6100 43498.4876 381347.3776 424029.9836 433508.7227 299054.4177 383837.5492 669891.1428 2044907.4284 308907.5178 786171.7703 6051.7206 6114689.1338 1064634.6799 503809.5703 416491.5633 1521083.1979 390573.8192 406666.0841 4308479.3214 353164.2507 394559.1986 419857.4693 198.4279 387760.2762 392986.5255 415308.3241 702547.2015 357309.4597 401713.9422 440126.3483 2253075.5699 2895112.9134 430583.4979 378714.5617 134125.8976 404514.6884 395291.3349 390877.7980 394931.4415 417550.3883 633412.2836 400618.7997 431807.0898 422042.1598 292138.9803 394086.8523 404646.1737 5013275.1639 361003.0279 331404.8872 450317.7199 45205.2117 331900.4116 2615921.8528 1886944.8656 412062.8628 102949.9197 405392.9886 21983729.6092 360897.9010 394595.7599 448965.4194 390257.9149 403365.7820 418079.9967 118772.3118 2729180.3318 286588.3327 396031.4826 434022.5830 2084881.4178 3307222.0938 388158.2927 223676.1988 389396.1838 145837.8695 401235.6331 (±)12(13)-DiHOME 606080.2582 157265.3749 213370.1438 200328.8700 1982130.7374 2525125.8344 1004524.8500 3132076.3709 2923627.0524 2448423.9442 248488.9479 1001661.8181 349091.1318 75700.5337 527387.7859 5169911.7801 600435.0902 313646.1115 444240.3051 380498.3106 436602.3576 144590.4105 989568.1319 435031.7225 93741.0479 317511.5464 204984.2788 506837.2742 348921.7068 371452.2307 252326.3200 374398.9607 270834.6337 163144.8948 359238.3090 830090.4623 358788.3416 263057.2714 219357.3469 73756.5855 67262.8716 1835155.5098 624866.1818 1964517.6411 1700604.0405 2338354.3067 596034.8534 843563.3972 1224318.9149 371683.8381 254023.6364 277325.8615 1092615.0485 624000.5228 135078.3890 952930.9641 246404.3523 418193.0701 162421.1531 3397784.2621 360585.7994 356785.0276 166477.4615 384776.7006 336099.7867 192031.4898 144783.6205 772584.5001 80242.9473 1256439.8809 190332.3375 2315457.0798 2980656.2819 1005506.4502 4793156.9385 90046.4037 939044.3279 449838.1295 130714.4993 2489548.0176 494837.6601 70910.7995 1456082.9567 1114058.0551 160666.5944 1022352.9286 2955965.9930 81263.6114 372098.3039 171819.3239 98965.6058 1918645.2335 495163.8158 615285.2294 319817.2906 164666.4427 355692.8912 253774.9712 658585.5505 2264564.0673 549985.3837 491888.4629 37700607.8002 2616504.8899 1180743.4408 1127923.8726 311201.8593 244359.4928 255965.9273 3410237.7149 84972.6646 67659.2813 60307.7813 133435.9915 437208.7706 448117.4424 409301.3384 6784.3831 591766.3763 1073364.0516 2090753.5269 46401.5423 4523721.0897 2017809.0974 1451243.9054 394386.0385 395848.4142 39822.2002 278655.1926 301698.0732 439178.6107 379893.6064 449960.7999 847761.9347 25907.0017 613535.6517 16591930.0433 1783548.1288 945891.2185 3416277.5608 66623.0682 100697.0340 1227638.0722 2868737.4818 41603.0416 252037.3481 343625.4120 346740.4039 471585.3866 275772.0643 694505.7484 460620.6877 2049259.4429 682051.7064 1318396.7167 487643.5439 405828.7130 201034.5773 74585.1160 251039.7857 399462.6555 341642.3875 1613400.0896 800317.0759 231707.5190 217410.7066 4114846.9689 2523167.7242 705475.2335 20388.1442 1039508.3757 1009526.8303 792505.3004 19738.4969 178031.5231 334986.8832 16954.8306 365378.3443 203561.5069 515790.0064 636736.5651 122872.9408 508300.6768 473258.6807 399969.4354 777302.0120 928420.9643 3681168.3223 446861.0211 288004.8827 1212952.3815 149802.5040 292327.9320 384366.1905 287414.3552 799273.5572 44480.2597 155121.5244 440785.4361 44813.0150 309852.3215 113529.9189 376859.2924 445853.1394 207517.3804 312123.1290 281610.0719 413178.4479 38301.0766 179180.6401 123618.5623 325971.9549 761487.4473 226023.6981 386102.3068 805682.1252 1842223.1517 124742.2717 602596.5642 1888575.4914 600561.9568 273248.5261 901144.8618 348696.8817 49676.3036 1240104.9920 504166.0946 49622.3613 491455.5561 313816.9940 179679.5157 430748.1213 46057.1329 169254.7212 489489.2466 2586309.7030 51529.3671 152288.5711 483086.7842 372194.0884 346590.5054 527691.6171 255922.4151 117982.3057 233805.4321 400279.4534 421670.6056 520030.2220 928472.3403 350026.7935 1520089.0501 1629431.4603 325032.0197 276221.6240 315005.9324 284084.4995 50544.0845 87448.4476 443545.6615 118387.3460 162373.6597 246997.1581 501879.1785 60059.3420 41892.0495 363149.6529 2614292.9340 235937.7680 313611.0300 545543.2958 122440.6285 144266.8440 511489.6072 436633.5192 258867.2688 246560.9124 363294.9717 749038.4222 986758.9166 293765.3296 757095.4388 21741.0726 402521.4080 1101572.1327 975808.1214 631988.7275 934285.7489 419055.4346 396623.0355 216590.9003 479357.0375 280606.6085 370078.2371 404249.7071 63381.9815 753574.1382 30517.3060 141820.1973 541587.5829 92615.2159 337300.6717 579050.1058 432131.9085 4194352.6735 165879.9796 440162.7495 147843.4204 977904.8277 284666.4292 404278.0224 677907.0098 205111.5941 454692.2077 390675.3763 249475.4350 319697.4240 469851.0549 290882.2682 388827.8328 201820.4878 497457.6166 46735.7615 347053.2182 563595.0860 2707152.6177 101532.5951 357639.5083 307781.4400 656394.0869 344908.5846 346358.6262 503183.8304 176222.2070 381915.8259 967125.3232 388423.7707 935375.8172 456014.2670 496090.2983 555813.0160 269894.1696 380910.8805 412181.4775 188581.2757 1253340.9555 891332.9976 403979.0325 191675.8370 449175.4914 873961.4635 223906.9445 297107.4572 238639.5914 50504.4876 655752.2493 752990.8394 526724.1314 556899.1776 350261.6337 427314.0059 285110.3109 178544.8787 130546.0815 363214.7590 158968.2960 520682.5927 48234.4552 1572342.6489 518490.5114 662556.0095 338652.9560 238253.1939 184441.6097 192366.1420 440726.6386 16-Hydroxyhexadecanoic acid 1086696.5120 51175.1981 1334988.7604 120996.2098 1342356.8477 595561.4630 2026287.0030 350564.9471 1305464.6334 823156.1923 411946.5704 604992.0553 451357.6769 473220.3101 605632.3909 1683820.2171 476903.7536 1097222.7186 1128952.0213 391652.9022 423478.4734 663706.3500 325494.9337 247722.2877 481446.8892 411291.7697 534840.9858 303001.1411 1398927.6029 1233330.8455 234503.6968 716531.5386 398706.3942 215127.4453 785096.8767 1303000.4129 971158.1488 1565773.9724 1258583.7510 413362.5679 13310.0625 689737.0417 453279.5449 2399958.1296 616801.5859 34051.2170 210760.8570 1865006.5438 489886.3696 307714.6784 539632.3970 293801.8355 345604.9100 364540.8088 425751.5323 379353.3106 195048.9094 1235502.4061 883407.7376 991201.5885 2418441.6457 52481.2119 1314194.3542 1558812.0633 1500809.3191 943922.0987 516693.6688 230531.7094 1895929.0258 395582.4458 578971.8753 970408.7939 584760.0693 1138703.9791 253960.3816 209846.2657 517486.0760 333441.0560 1106160.0474 269594.1952 383763.3113 420793.9095 1444987.5076 375066.2194 2407250.9869 1064823.7463 1471656.3402 250371.5565 848798.6439 352031.2975 277663.2733 371100.4220 777509.3846 554514.2376 1633338.3419 390612.7272 149260.3866 393496.5178 691738.6448 1678190.2006 121486.0072 462078.8642 234532.1699 517255.9314 477300.4625 660853.4008 569963.4289 331992.0334 413370.7175 1229912.2327 464292.6316 355930.6087 340449.7135 1516670.4182 628850.2530 903209.7785 1586362.6829 143927.2382 2109103.5062 246390.1515 395530.5479 404406.0257 706061.4391 444651.7901 437468.7716 502414.9991 938286.6934 994372.5715 2616675.1593 556070.3989 1611232.2308 525240.5656 271533.6594 3274919.8436 660908.9080 583077.8976 576251.8623 274748.2640 249354.0829 465677.0076 658118.9599 490849.3302 306893.1708 1105019.1823 394434.2487 3621881.9842 652740.1443 1493154.0702 391179.4017 294859.0899 648034.3594 1941306.3811 279361.1328 436210.1542 683472.0894 1170717.2394 401685.2189 499841.4223 822098.8195 501851.2259 170608.9364 19130.0536 636824.3834 495976.5850 460725.1728 546447.6511 73574.5248 561788.1449 532312.2970 408105.9846 228128.9940 1565180.8588 142812.5535 311052.7972 541626.9715 2421480.9964 397429.4905 513104.0319 474921.7548 524643.8590 528036.3479 212807.7859 515544.1695 294303.4415 316090.1124 1414933.9245 1149896.5086 207074.9765 197338.3917 486128.4872 637631.5874 506384.1643 1157087.6546 781020.0765 151612.4408 389178.7158 400409.7241 518113.7719 1757913.8145 1647710.4983 326162.1694 73227.2220 711615.2601 152609.0931 410067.6402 1290797.5677 1380312.7868 587853.6460 440887.3621 1580670.8216 648471.4343 631524.0811 23455.4106 231955.6125 802933.7988 293586.1202 447416.5650 191455.8275 604768.5631 588897.1514 551959.1961 544948.1006 98830.7920 419983.1013 167349.8926 205018.0790 559123.5254 602357.2870 179308.0319 1122000.8454 320437.0055 235122.4339 101967.7205 527569.9542 1101995.4906 1036181.5889 309696.6856 286487.6720 345754.1146 254644.6686 143484.3970 1224190.1490 1066857.7801 522466.9850 217199.1772 286022.6253 346660.7281 2363190.7105 606908.9390 218085.9132 31860.0948 480913.2941 586674.7717 654287.2789 564953.1495 1247038.6700 2095710.7448 325731.9132 684729.4487 565065.4933 393229.1759 413774.6047 305904.0707 327020.6047 682721.7184 520507.4566 442073.3513 978050.7029 602193.4866 1354013.4715 752427.1632 126551.8055 2504235.8229 870694.7838 2397016.0045 1319561.5591 711442.4717 417545.8012 642444.9052 288333.1597 693148.3247 241740.2123 449526.4934 186214.7560 1191677.0460 380828.4294 154270.0811 327903.9791 747132.3128 2029013.4817 526598.8186 111793.9429 764029.8123 559703.6079 77123.1671 502565.2255 1695754.2825 591116.2668 140240.1350 301431.1212 240503.7095 566694.8474 523276.2288 153178.9795 395539.6884 389938.8984 433052.9162 449281.1102 664392.0285 1312011.8816 376139.6852 1042829.1755 481546.8904 516349.9996 586850.9120 1063318.7109 337954.4410 786581.3604 508937.4978 350095.4563 1295125.7526 519435.8891 513076.7962 397293.4179 389439.0214 325967.3578 537042.0913 602881.6756 425522.0270 413809.5684 276210.4879 424851.7226 476748.5161 683889.7875 1028921.4407 281684.6764 502987.7016 542900.9213 363804.6323 427117.5329 116466.6710 316242.0818 694850.2887 1235647.3615 471711.7672 1594061.0812 91458.2317 990896.3987 266440.9944 533107.9874 19346.5139 1066257.5367 2391231.5030 254292.5831 714611.2519 686134.2409 85707.2871 474375.9623 536189.6126 910398.1784 1264221.9148 1344433.1248 410393.2575 391940.1179 477480.3479 1356984.8778 249772.4974 857106.6768 363048.3657 264170.3602 25677.1430 482407.5493 461686.6107 830646.0245 446308.0682 196356.1017 1_7-Dimethyluric acid 353048.2878 1232803.5775 1556638.5685 1193438.7050 705545.2647 1508068.8867 862858.0690 1409871.3801 927531.0330 1242428.9760 255534.6845 4318557.2143 755937.3723 968449.1915 495164.8022 975472.9291 3550901.9433 1286044.9360 135134.7092 781493.1739 2385554.1573 1490113.4228 1070748.3961 295275.5079 1138651.2716 1022976.6457 1429504.6773 1205855.3065 1572024.4690 552645.6734 1520966.7665 850597.6688 1416214.1597 2584.1756 1002420.7052 1239205.5310 978810.8179 559247.0322 1353214.5155 2212260.2723 1467896.7179 1120050.0979 1164273.4889 1050519.3343 4939867.8641 901076.8181 768881.8906 1242056.3298 663386.7065 239426.4465 1897082.1311 630163.4198 845950.3267 382072.6456 12936880.8353 283057.7615 398148.7354 4125425.5443 2000971.4672 1195061.0261 162648.9061 753346.4272 190930.5601 4186640.3259 809420.2682 190979.7494 164295.0288 2923619.0828 665051.4718 555337.0613 1359832.5538 1164149.9290 908268.3433 1173409.1263 1513995.2794 200006.3156 1284515.6576 568471.5084 1027298.7409 1316685.0482 9190015.6866 1314949.4783 220772.5173 1253687.5430 607531.0932 1352472.1628 1283515.9241 3553514.0602 4327278.2179 765222.0882 880407.9678 1153564.4861 1168687.1848 1159107.8807 912949.9640 1175392.3751 1029177.0085 789454.4672 1512302.0740 231891.9138 6635051.2081 1035396.8287 1349086.5752 6177740.7137 1219292.8188 160152.8142 1183139.4643 511433.7012 1506206.6257 1279055.3565 2862707.1067 833121.7084 1148283.1612 590860.6722 341054.7213 1162316.7311 877454.9975 1180145.2648 6661782.5797 2874822.0858 3821384.8745 2650721.1596 3499993.5802 1294122.5590 38674.0744 4288286.7600 2100701.3012 600933.8419 922598.4227 47305.0090 13236827.8019 1324142.2244 4347452.2780 449499.2154 459422.3266 2711962.9123 3762347.7751 898163.8498 4363430.7052 6715945.2118 3823073.7513 712945.0191 1114705.2824 1426375.1066 198445.8817 5444128.1527 1502679.3994 78679.9328 1038126.2707 1143940.9641 13651744.0147 216976.0009 1087993.6869 1082448.2426 296531.1096 1373224.8673 853201.4262 1121200.1175 759897.3173 1021345.8870 1509107.2649 1456926.4708 86371.7016 1026270.2393 728584.8715 751955.4321 342561.8195 635428.0428 1348122.6369 904649.1182 1331557.3087 1414191.4734 573672.8361 1070923.7730 1690765.9348 934863.2612 1126896.3013 989564.9895 1500350.7030 84408.9278 1044157.2122 243633.7130 2229504.7718 2004084.6690 10196437.3354 2094851.7466 1320513.2023 801863.3360 6588235.3969 16107522.5311 2405657.7365 2466142.2809 1615017.7306 767072.1632 434910.2378 2728713.2040 4607470.9727 515768.8458 138631.0527 1596981.8551 445296.2127 939430.8165 2230624.5224 3615270.0471 839781.1733 251693.6693 1061336.6255 3936165.4968 2697611.1145 733840.3649 1266984.3454 1788353.3122 2833066.8647 1405321.9387 1410720.4770 896745.5738 4740542.4543 1132539.3429 17244.2437 1100413.6374 940531.6670 944976.9574 916043.8253 267943.9247 319447.8595 437951.2450 1243161.1748 1333617.2950 31429.0352 74436.0433 674599.0621 508283.5357 1830065.4347 189673.4601 816835.9974 809207.3497 222860.2483 204472.0680 177091.4135 1417075.8522 889284.9192 1366720.6630 308415.4206 5913097.9454 1032499.2521 1302092.0182 196317.9760 10551693.6291 676260.7600 1830826.0522 768142.8780 3625880.0385 328152.8110 2711117.2456 761639.5877 1392036.7932 5219824.1629 12142687.6243 3578764.7590 3796692.3815 623251.7158 102840.5417 16512458.4320 811745.0507 104984.0930 7564448.7049 252688.3482 5292244.1314 918558.4779 2690426.1050 9489884.1563 617910.8292 193391.2556 1221899.8617 2983612.9837 2-Cyclopentylphenol 324531.6505 319491.5521 1263.4390 1492155.3737 8331.7337 204707.4635 324809.6555 114843.9155 388813.4911 124948.8516 356756.2861 260609.6275 127523.5898 374184.1476 140418.6468 178046.4954 1469509.7881 323601.2606 3276.5797 41501.3990 332260.0271 25383.9368 298335.4981 28197.3972 1676911.5652 52655.0045 798174.3522 1717.5643 872083.8148 363207.3828 370444.8251 59031.5910 462461.1455 42547.2107 318980.3185 25669.0605 546161.2611 163661.0073 347015.6361 72623.8127 180866.1812 17366.3063 1806348.8770 93393.1930 338962.6123 7954.4835 308685.4317 164379.4965 240391.7797 10025.1051 37241.1416 323803.0009 406580.6191 363405.3423 388096.3149 458045.0697 157738.8312 376478.9915 519.8277 168146.3731 338309.4560 17225.6030 297847.2411 331697.7775 3389588.2183 24347.7390 4730.8865 1957117.6943 1628827.4012 377187.2631 88908.3449 334383.0043 1276119.4755 932690.4198 409395.0267 4781288.5282 75007.0015 346028.6921 1470559.1149 342342.0275 323041.7323 7949586.2247 43500.4984 586695.4564 299860.8474 15653.2628 164442.1933 328943.7288 17080.5608 64012.2971 2626503.3387 132099.8296 345319.0115 16148.1571 2389345.6781 1052518.4780 389854.8068 90199.9998 28377.9520 54982.1334 2352158.1992 97745.1170 323580.7508 31769.7856 2930216.5791 34267.2066 57027.2026 19584.1370 89009.2044 316276.8193 321371.6294 112806.3690 336846.0373 339663.1818 409612.2380 396966.7076 352714.4302 408749.0563 322361.4172 37600.4412 12813.6942 60703.1915 402768.7750 331355.5417 387262.7971 5221993.7894 1149173.1294 14946.4528 1281.7219 1198504.8381 398033.5593 283744.1578 15102.8751 354310.3152 52732.3505 3650713.4911 5941.9062 5264407.1830 677402.7336 1646727.1410 397926.6280 13964.8378 21645.6720 132628.4200 73003.1185 38582.5801 366891.9661 339145.3301 303134.2510 10461639.8102 1418418.3994 18383.6227 89371.4345 37082.4009 329375.5208 79896.5699 13651.7083 6751419.3324 30951.5141 558504.2236 932.6643 7485027.5561 771909.0517 412172.5833 5126.0119 11660.7221 318794.9014 348702.3869 390044.0702 21706.7337 398231.3559 380504.7968 352999.2367 64457.6343 356809.6019 10384.7035 22678.4840 12040.6160 85671.6183 72675.3036 371330.7805 17063.6459 370603.8441 318663.5666 338377.9133 397967.7286 743.4649 1999737.4463 341757.8643 57291.8743 344705.0107 352256.9765 58982.2151 1216221.6106 207727.4620 337695.4123 18685.8203 24440.4396 344905.7742 338677.9760 378329.7180 1631351.7209 35521.2766 360152.0636 16950.7167 312924.4005 31535.8221 799987.9147 335939.4849 64333.4177 313062.1724 344095.4551 362908.8076 3367.8430 339437.9573 319621.1097 85306.9841 309324.3867 410282.6294 6378.1614 1649336.2489 310339.8913 7907.6068 50991.7984 374562.3888 2043556.1253 33816.6713 375616.6407 329849.5024 53605.1770 352512.3051 412846.4037 38934.2437 403855.0892 336864.9922 370369.1517 382883.8456 354274.3114 7786.6523 328482.4919 352881.6193 382741.4223 142845.1141 394044.8435 346383.8890 375927.9841 41728.9201 367791.3386 2-Ethylhydracrylic acid 1679694.4115 1701428.5999 2996477.9746 1679902.1477 1119265.9216 2905871.9586 2230413.6943 518105.3171 2675685.3076 743533.6837 2158589.8574 736325.0042 1413257.7507 3808.7333 1018886.5070 5707819.2492 8707569.6286 2757319.8037 880551.9715 4912683.0720 2704441.1310 4897725.8597 2405749.1233 1343046.1725 2232546.0279 3317687.8451 429.1182 1188417.9170 331394.5429 248745.0593 1432675.3982 5259018.8144 2916014.3482 579250.7074 1486837.4087 1618980.3917 304421.9955 1588355.7835 2413833.2877 3718124.1465 267522.8770 1620264.9364 1740907.3947 1347147.8071 3624684.6931 1569258.1592 1034388.8109 757082.5467 3616639.5199 929.8994 2108844.2209 889176.3564 5075843.7557 1634368.6372 1395759.1880 3304877.1915 1663425.0146 905982.3196 1568429.6740 2720442.2612 2391787.9805 1237330.5744 324585.3715 1629231.9051 1088925.8309 7810306.7712 3843255.0702 2170840.8348 3721292.2464 2656375.5874 618062.3978 1301824.6115 3188643.3500 4841639.1128 3189485.6541 2965159.7538 1444198.4054 1417200.5713 1710958.8784 5576212.7501 1228409.8294 4474623.5598 1285238.6401 632157.0512 1241157.3149 671653.1916 1705022.4550 1092957.2785 1753245.1920 4146300.9665 2851044.7327 1381594.1944 3496940.8767 8222097.4975 1532898.2202 1125871.2077 4661256.1581 3795127.5678 2327238.0709 884.3825 1777506.5479 149217.7890 359191.7593 1217227.8644 1029080.2820 2091792.1872 2267742.8191 2360870.1689 1115058.1790 1578150.3309 1316555.7612 2627935.2604 4158814.3245 2475238.3743 1448579.3553 1410377.6178 3627213.6537 638533.8423 1967583.8641 3267.8216 1270467.8883 1940465.2552 4966879.1453 3487338.0324 1013301.0125 1758937.5771 1365368.2050 2153.7347 2166506.5492 1549651.6949 570725.9357 495847.1028 1413965.7850 284663.5229 6870552.0729 7217273.3312 4616790.7979 2520298.6975 7516085.8068 4918227.5019 6540103.0366 1280590.5637 924945.1114 971570.8956 725136.9984 1000909.5359 1701223.5332 2919679.4485 12029463.9300 1202144.2532 1222416.9549 2447931.2960 6514153.9178 1920423.0161 2088490.4154 2018007.7361 336586.0155 1274722.7196 2826376.9506 2324806.8672 3465132.2587 4524363.6436 1638779.5670 1278909.9409 4927532.6945 1014401.8678 157412.0319 1403812.2154 3314618.6556 1980891.9791 598538.4311 1574659.1862 1689.5965 492063.2162 4489656.8865 1923744.7483 982373.3804 3103968.4038 3990369.0656 4726995.8485 5782224.9473 1596182.3925 1177304.6772 856291.0857 1051477.5999 1864088.4961 1152653.2435 3544428.2140 1188865.0384 1976489.5829 3305191.7955 2641656.5974 2671.2501 2430328.9697 740710.2424 2585159.5507 1500521.3768 2853264.5085 3334597.5053 2580810.4717 3675081.8025 2418504.5538 1015090.8011 1759556.5363 1533087.5038 652082.2051 790556.6505 1833345.1685 984981.8556 1860806.3369 1225997.4855 2590.8802 43260.2364 4181533.5402 5566037.3642 748934.6735 2857179.7543 2073783.3646 1853560.8255 4443276.2019 1341501.5873 1334769.0029 3417484.2821 1474745.5684 699519.7851 4503203.1313 2254912.2945 881640.8963 2327588.3433 1051761.2421 2725459.4590 1395513.9274 542987.9732 1915973.6961 1708742.3310 370529.6570 3069265.9989 2724052.1939 4423253.3371 74260.8001 41509.2414 780706.9819 1132815.7611 3112295.2868 699430.7785 3991.5077 2003388.6867 1237351.9994 3240031.1164 2980000.6289 1107603.1535 301256.9107 1682051.7863 2628359.1010 1239221.0382 3088251.1123 3099288.4586 2117429.6973 2353994.2582 4127212.6640 904777.2878 1831413.5320 1408633.3671 6581823.4177 645220.2065 1532845.3214 3708873.5430 3819940.3086 2525600.0427 3747482.4450 927095.8630 1816.0807 3246892.8142 556064.5868 865216.9853 1123340.5117 8836567.0910 1266967.1528 1166794.9183 2086521.6010 511216.0373 403205.7535 686630.7443 1469214.3545 1685440.7920 730979.1106 1441.6786 1208380.2413 1266750.9591 1999191.8326 3362152.6452 494729.6610 2085571.6553 1657354.4143 1406309.3518 2098074.4661 4784914.3500 2129412.8631 1409926.8810 1786896.2200 2156906.6261 1337842.8481 3022774.7375 1421.8112 2004171.8643 4528425.0742 3473256.9854 1312519.4958 3419305.7367 1439347.1746 967869.3775 1620552.9206 1997376.2813 1151892.4248 711837.5951 1969092.2576 1467975.8392 2549430.9259 1217.3883 1252244.2736 747761.3167 1768506.4421 975639.4106 883.6581 2001893.9806 204417.2444 1147158.3218 291402.9330 715649.6768 888628.2265 2251089.4068 3310613.3281 1884839.5507 2350819.0913 5355222.9169 1659627.3551 2662525.6559 1814963.1552 1662362.9594 1580912.0813 1854508.2993 970535.7540 1485658.5744 2075944.5692 231545.8110 1201081.0024 1021306.8442 1857693.1601 2147664.2457 3607945.4592 1927340.1437 647426.9712 2169169.4172 1323594.7580 4083650.5303 3271725.5136 3948411.2045 521308.9933 664384.7880 865293.5097 1541738.9783 1853034.4988 2661044.3369 2068225.6062 3120145.4009 863121.7170 1946899.0713 2021792.9355 979018.5936 3578968.6910 1298220.3973 1535450.2905 2419402.8052 5292820.4601 1624659.2549 2051484.0501 3499661.7495 1787510.6850 2457197.0263 206908.6164 1984397.0062 2663920.7075 2240686.0170 1160264.4540 466980.1962 1528566.3412 1095022.3821 1925494.8503 2311734.3933 2512726.0125 1260249.9379 2531688.7965 409917.3901 1933950.0215 2130595.2662 1763930.6155 3782935.8689 2560718.2653 1107393.9060 1577225.5968 933634.1828 3084843.4152 878725.7545 1053484.0400 2283529.4914 1659908.6815 1543167.6882 2263155.4541 3059907.6093 2352389.5145 1408920.5857 1448436.1194 2263863.5909 3281549.2001 1855987.2818 2866080.9873 1225801.4937 2252229.6859 773357.3303 1651548.2919 1428650.7137 1971072.8154 372991.7725 1170654.1671 760655.4443 892837.8538 2760252.3313 10456689.9666 904446.9726 1161349.9427 1150450.2885 988952.5961 1974537.8617 2199640.0660 1986697.0443 1614420.7803 3779092.9578 1100260.0613 1564127.4182 1930530.8439 831741.3517 2233074.7481 2015674.9976 4770789.6357 3686087.3046 2439056.9619 3619521.9303 2255518.0713 1141964.3549 2239042.9200 916462.2977 1081960.3906 518679.7733 797903.3450 886154.4682 2-Furoic acid 76593.8391 62987.7430 77715.1228 46179.7252 106159.2687 105726.3508 45519.5244 115379.4011 118053.0551 116485.8209 52344.9828 75933.7226 54910.9103 121547.7225 99624.1067 35394.8011 153606.5667 100784.3276 23223.5342 126334.6496 109286.2655 147.7418 109401.3739 101297.5300 143265.3789 181365.9776 129792.0287 39333.1566 85251.1641 2638.4715 71406.7721 74290.9924 155545.7974 27865.6086 58308.8208 67059.2292 147063.5813 97144.3070 31201.9172 310491.2763 134165.1588 125493.0422 24758.7651 92285.6481 57281.7764 104440.4183 53762.2770 122175.3266 103984.3040 105979.9299 89893.0333 85986.4764 141637.6309 110114.7482 78130.9654 138495.0521 114583.5958 36782.5836 113278.7364 304738.0148 140186.7037 130008.0515 197042.4517 64514.8612 156285.1126 98670.4940 59191.6577 79384.8304 225371.2813 65771.9920 81501.2304 151072.8998 127100.1295 147083.9951 86198.9497 121720.2194 141234.5480 123774.8341 123752.3119 171791.4170 66921.4450 115722.4924 104481.2671 115821.5310 62765.8963 85157.3160 2417.8377 312931.8568 95925.4726 96783.1406 192347.0129 769967.1012 53297.3085 124753.2477 437782.0479 183957.9032 147525.5605 147362.9447 320561.4148 266259.0395 153951.0448 40131.7282 106446.8529 122562.2062 67355.0910 94056.8737 150092.9107 35605.9744 83899.6035 110914.2412 154971.0996 216315.9467 97972.0993 62338.7336 1156359.3550 71164.6014 42483.8287 90339.2707 79866.7438 122235.1311 104813.8005 78451.4540 94033.2314 89914.8328 92897.4097 89148.9791 112675.9425 120350.5096 19197.9314 49444.1426 122504.5158 124899.6058 414009.9606 135494.7553 33183.0355 303746.1262 125033.2569 128469.3456 111277.8017 99103.5655 85502.3627 149050.5754 24699.3635 79945.7021 27027.5774 83516.5027 83093.9179 103335.0226 169736.2358 78978.5128 1002279.5095 78999.2311 65238.8883 105209.0669 47275.1389 95787.0642 151512.8376 124700.6582 83066.2809 630125.9464 91319.5670 105895.9865 70291.8942 77206.5308 249917.1391 13207.8614 48354.3457 92005.8626 110709.9184 750980.4262 115751.5914 51142.5570 255786.5867 130069.9178 91103.6476 106931.3857 70243.5806 23820.8527 108856.2228 89993.4865 117147.0707 118014.9367 98036.6597 114639.9289 108913.2385 117862.9420 103611.2055 119620.2632 112198.3845 77255.9107 90506.8271 113072.3122 159724.5645 319756.3856 172406.4935 133181.2390 80836.8635 240307.6769 105555.1638 101338.1678 28666.0257 137968.2551 132959.2582 98133.7006 90236.5136 107271.7687 146650.9315 646458.0447 155787.0769 149311.2795 182423.9869 108985.5762 105152.2382 166462.4507 61495.0522 55862.9678 129633.4613 136272.3952 131771.3671 166643.0448 97034.3269 86207.4591 241144.0523 82953.1538 110355.2834 100404.0292 82290.4622 113516.4942 96091.1587 77194.2175 131432.5594 36677.6788 118023.3742 42391.8889 131903.8076 89890.8101 136694.6586 146518.0867 128045.0235 66291.3533 175938.5346 139813.5514 75438.1450 48290.6674 95611.9925 124123.2257 70376.9785 154977.6940 116655.4508 100103.1514 32717.8950 127457.9769 150781.5803 93802.5336 91887.4525 124441.7910 109895.0625 105347.3347 108402.7230 104655.3573 11941.1003 65098.9457 120228.0169 150288.6254 142206.0227 47757.4168 96476.0045 285399.4005 132476.5903 127653.1741 109426.2716 117158.1848 101003.0694 71608.2326 126899.4668 31813.9570 127430.3424 64623.2717 422043.8125 86950.9440 144921.3764 114296.6017 97852.7387 168521.6809 214575.0585 530061.1950 130461.5217 83885.5603 98838.0597 166473.9910 96805.6457 130900.6900 111075.6707 117571.5623 161454.1138 115426.9412 95504.6639 144988.6853 7093.0143 121164.1326 122788.9328 153121.1829 118452.9884 81175.5251 97059.3836 228433.2208 162071.7016 174909.6151 182430.9485 142415.9564 215291.0676 179153.8334 181394.2175 182947.8836 148229.9685 105949.1723 149249.7468 200962.9419 117118.3677 167087.5977 104624.5432 82854.6396 335541.6734 181743.2717 199811.1081 212192.6213 147485.8495 157357.3712 108944.8130 103085.3254 107300.2855 231072.0008 117846.4694 107985.1141 128728.7951 55377.4209 89920.5518 1555.8451 107709.3642 19286.9566 68390.2309 121300.9626 478.6544 45577.9527 116304.3524 4686.7871 93915.5152 100886.9536 103377.9443 12768.6310 50584.5361 757325.7315 110648.4875 120583.6619 117410.6421 100117.7154 248681.2934 9577.4575 44828.8966 124776.6830 48629.3947 168728.4068 83030.5672 35771.6306 89594.1173 81151.0555 118842.8022 28911.8944 100626.2801 28008.6911 110569.3970 136398.8193 43593.3801 101786.2170 649056.9800 118143.5170 161531.7469 125651.0282 138623.7089 83443.0841 46353.7073 166684.2372 130324.1224 118233.9996 8734.4646 73083.4927 151944.2185 23718.7800 175483.1138 130905.9877 223444.2640 58952.4891 120676.8528 56387.9850 137536.9714 85784.7087 62805.7511 107587.7137 84459.9369 135365.4987 125552.2998 118478.9832 70537.5460 69134.8368 105884.0076 132476.5424 21981.4525 132340.4356 58546.0660 101395.1901 133868.3231 180500.1484 131007.0084 126191.2810 158585.0519 130072.5774 166319.3167 188402.9137 127710.1830 458159.2325 207785.7237 117394.0236 411063.0009 38791.3261 328610.1361 146303.3010 91808.9423 108355.2533 106348.3277 110628.6728 177534.5107 135253.0239 106673.9357 99469.2907 170019.4139 79677.5518 2-Methylbutyrylglycine 74370.8092 155750.2846 130804.0168 157619.9042 412154.2495 477.0473 98870.8738 656.6049 104.5915 1195.3681 69114.0569 94589.4440 288271.4258 158457.1642 5845.8652 130996.4004 424865.7443 8753.6987 196567.3269 212502.7761 78228.3423 126449.5683 808.4407 1218.4529 130944.5841 2114.6611 3987.0002 95115.7164 570.7847 334394.8540 72905.7796 155231.3094 117733.5875 297880.4734 138449.5898 228979.6110 140911.0560 1953.8449 289552.6322 1306.7111 608.5365 73244.7723 115023.5419 89375.0634 284427.8068 661990.0084 88347.1795 104225.9568 2392.4896 745.0925 149178.7683 61975.5593 7174.0305 3529.1627 169270.7136 258.8082 536586.4110 203293.0415 74380.7446 201190.2669 167059.2318 2124.0996 3140.6115 109079.2319 95487.2018 199418.2990 230934.2927 95279.3194 856209.8291 107225.5500 196400.5183 146926.7358 345185.3152 746286.6768 3423.5189 3474.7075 74516.4769 301724.0924 124393.6215 113142.9451 1246.5136 2854.6490 101008.3531 792.2483 3948.4059 1552.4330 117669.7258 160723.3653 288912.0290 147318.4034 1514.8113 182702.4847 110368.9492 243049.5568 143205.0020 69678.1466 245039.6177 160148.1131 23320.3626 115272.6027 214193.8832 3762.7406 9929.8463 77857.2859 74.9759 184122.1970 109970.2856 259695.8592 129844.3532 191202.1581 115330.6489 225068.7233 82523.8399 3224.9030 250881.2430 118795.5987 93630.1529 228811.6571 122675.0805 102546.2557 65498.6086 173935.7440 119107.1722 3539.1576 81976.2282 100454.6563 91599.8050 3631.2489 111373.6221 130189.7736 358521.2394 304286.5051 106034.0266 3841.1562 31624.0966 647060.2266 479330.6167 230286.8893 913777.3055 274635.2967 384135.6124 1125381.6011 202057.9344 160148.7627 78.8807 83622.1103 220442.7697 2985.7335 850591.5220 285709.0132 71441.2402 77814.9751 318933.5198 868290.6114 128839.8216 89843.1741 1131.5812 101933.0978 14079.1673 51833.9464 253108.6674 131979.8358 2423.3021 169241.8386 606388.0250 85009.2714 864.5832 140964.2975 118024.7053 135.0201 303645.9019 3553.9375 1340.1909 2013.4810 383345.6861 893392.2337 215180.8938 390513.6576 488970.4752 64528.1429 3052423.3202 129754.6621 169416.3058 1737.7284 69198.3664 93655.2058 186857.7808 291595.2161 141013.1422 128639.2808 111762.7941 3644.1457 456.0751 157603.8138 1084.0531 508.5601 92269.2786 29860.3082 196472.0756 141021.0679 91775.2464 278325.6860 113543.5903 181309.7145 105958.2548 307.2357 98183.5402 299161.6797 68931.3080 304927.1082 147674.7761 3569.1090 812.7884 275872.3413 129251.8222 202748.6586 108025.4371 79.5219 98870.8089 142402.8684 182289.8249 126177.2523 1835.1745 142047.6178 229156.9305 203343.1020 123383.8693 104106.7176 104412.3181 69388.3944 104.9369 211844.5895 80994.1317 120301.7239 269.8372 501866.7798 189613.0943 256903.7201 2151.9758 211364.5382 2411.2624 129019.2191 89107.1013 2982.0758 12315.6830 109272.5611 100532.0054 229344.0048 101904.9316 2444.1297 113632.4079 313895.5526 87399.3228 3543.6439 130417.7607 132086.9161 22555.0686 274069.4190 98831.1266 479.3952 19054.9439 100562.5233 71419.7713 84954.4225 1527.3477 205653.2860 2986.3748 16538.2010 210577.5115 183781.7297 339187.3253 1797.3713 100359.7720 218656.8282 413.5574 133667.7346 223402.1148 230123.9552 127881.3916 143246.6510 3171.3792 344454.0713 129471.3141 83150.6331 101526.5862 162455.2785 3016.9313 3170.4692 134066.7455 121950.5661 122507.9410 260779.4198 111379.9277 2927.8634 68142.4825 167575.2907 112964.2953 203712.7201 53814.2930 529023.6137 135511.9262 120657.6240 2088599.7576 472.7736 199077.5403 2920.6784 626750.8039 87001.3242 627399.0653 191474.5596 139049.8920 116992.0513 20.7177 109946.4790 358737.7744 154780.5649 179446.2821 204007.4864 3635.9924 132065.2359 93238.7007 135358.2004 1337.0960 444.9642 138985.0107 247664.5916 181265.0944 339.4439 121502.4782 147924.0915 87949.3019 1488.3926 85727.4419 132362.0512 314418.3917 32844.0317 128120.0532 10978.9949 1458.4565 134338.3183 133280.1163 59093.6801 3075.3701 134511.9079 299.7208 69317.7658 208745.7055 140730.4412 227946.0493 3861.1903 157594.4213 1703.6025 83754.4776 214207.9377 100896.3183 671597.6080 162438.3461 28203.7908 315176.7589 2074.5155 65016.8804 214077.4928 85501.6808 183384.7776 154394.2534 65771.5425 353668.6095 168294.2194 130224.0415 99.3174 217626.1694 208791.7547 110209.7620 332651.0205 76181.0502 224372.4973 52.4593 151745.4911 115669.4295 19091.4262 134188.7207 15140.2604 189572.9627 84217.2753 316457.9653 3522.2096 64766.3943 183809.5634 72005.9132 174715.1069 106077.9451 728768.5787 108273.4455 230049.8664 195112.7931 609.0890 206271.0933 57604.4581 130480.1357 96270.8634 184092.0956 12099.2114 164969.4742 14587.1788 1032.1143 199295.2244 103785.6162 534750.5495 208462.2547 290833.8385 136489.9240 362.1089 104926.6397 504664.8041 96053.8162 105106.4923 860572.4137 264973.8533 745.3154 171403.2327 3753.1509 179335.4402 59407.9143 181134.3413 198258.3191 97067.6315 216978.3794 53046.9754 2.1845 315817.3621 130513.9734 142641.7634 76234.6006 145266.2167 139890.7261 84987.0689 506429.5175 3780.3922 145799.3191 129204.7623 132244.4812 179980.7216 176776.8757 172628.5790 178395.4136 131603.8542 175274.1948 184466.3750 169173.0683 53469.1564 80861.9611 128977.4009 3194.1064 176270.8159 106164.6640 2-oxoglutaric acid 375858.5184 587639.3955 434232.8243 562536.2811 460419.0642 668883.9770 212498.2241 602284.9674 1155150.5388 994539.1626 482615.4046 482941.9494 1100540.1038 633067.1005 604662.1527 703050.2780 782294.5426 672959.9543 654004.5811 1297486.6513 321968.2706 566091.0185 1058280.2340 481558.1433 574029.4988 1127481.7164 486286.4502 272667.9654 515681.4852 629528.9852 309461.4800 408481.0308 907850.7374 647206.1878 520373.8934 516590.7255 906479.1381 474045.0633 1292765.9440 1460241.5690 509727.8321 805185.8119 711132.0165 497745.0385 590004.0357 508379.3335 484742.4263 656760.2925 1199245.4700 785330.3969 1015260.8001 531279.2087 538805.1039 728239.9440 691962.3197 584994.2472 687265.1630 505422.6368 1076226.2617 1653788.4548 737575.8840 2274141.3008 569551.8658 575893.8388 309789.2254 760269.2891 1042872.5191 257941.1649 404016.2464 718351.7042 571619.4718 477778.8551 531892.2775 844422.4955 615904.6387 779772.1498 319426.8581 565065.3758 590796.2144 421405.1333 519387.9420 707482.8071 398383.3202 737596.8722 1165067.9804 817598.5556 868685.2909 484678.4167 1815748.4301 767733.0764 929270.3151 653576.6362 658399.9711 1087790.3236 523736.2549 910465.8249 492040.7141 867687.5559 547674.2530 569193.2936 591167.0387 580462.3027 526172.8300 516349.9986 594569.2410 627904.6066 318337.2840 415260.8376 539349.3167 681458.7623 478043.5361 567265.8938 637513.4177 636714.8806 440242.6267 480429.8722 1121327.0948 404829.9118 167703.2324 729890.8239 631065.3669 719943.8618 822839.4356 565220.8431 399053.6604 2302910.9471 376367.1325 944831.6576 959595.8648 1094897.8487 1662991.3537 825074.9078 518043.1691 708735.7892 1184034.9056 758188.0354 597845.8599 725615.3819 2340793.3479 1001925.5300 1092692.5492 855994.8942 693968.0231 734350.7915 1195931.4239 822368.7782 888187.3836 872945.8179 540600.4942 550551.4588 626056.8988 277002.8645 390257.1910 890908.0324 496082.8368 931009.1294 289269.9765 970537.8842 734218.3533 783461.8645 595725.1289 1034411.9815 719595.1096 439140.0304 1779268.1720 401408.6968 620175.7532 594194.5045 1147014.7492 647058.3645 887237.8620 449005.5163 547784.2427 994311.5294 697503.6493 594766.5753 849059.4528 3673364.0731 864190.3447 683549.3361 645185.9736 702784.3225 718593.2654 1429719.8228 480340.6468 426639.7200 573843.6024 725769.5582 806688.8604 569586.9673 392970.7921 469743.4342 496001.2694 1086547.1021 973174.2866 406360.2982 493343.6870 619239.1618 989875.1917 2844086.0779 830527.8329 742659.6344 586844.8906 575304.5806 515013.0286 770484.6467 594219.6294 1104151.3447 453229.2532 593240.2519 628695.1206 583085.1698 996023.3322 534745.5168 815606.1313 820152.4749 629374.9845 627584.8502 822634.7322 1144124.8735 707341.1651 806882.5607 840932.6768 892711.6236 506386.9889 708079.1897 643806.9647 674302.9062 487817.3984 282630.8315 318208.8539 715145.1773 515707.2549 436027.7346 615268.4478 482917.4850 1067989.1016 481791.2891 679273.5409 796516.6251 791133.2534 447323.0458 1184496.1760 551699.4612 774439.3171 772656.2517 845435.2431 682871.4727 1057435.3400 579461.3061 649272.9733 603557.8897 2282863.7197 1112228.2469 437858.3376 1160302.7450 610532.7688 442218.7424 458130.4161 961480.4436 789022.7199 511846.4132 594055.3887 1202479.7158 514630.4189 531898.9772 520702.9145 968425.0029 706010.0115 744280.3922 588886.1195 901855.1118 903852.0295 654893.2076 607531.7168 846363.2312 1206397.8098 830403.4477 488203.3771 234533.0386 662754.2015 547292.3496 896413.2545 417716.1898 823962.0585 882784.9949 894334.6869 519184.4162 1078711.5485 456775.8158 567234.7611 604238.2906 3012136.5846 1056266.9061 1828738.5307 2403361.2044 494660.8961 920538.8880 597084.1776 846300.7106 270643.3856 1361387.7694 2556915.6767 665031.4115 1293783.9110 576346.7723 1318372.4825 775056.1841 1696193.9419 700071.1390 789830.4068 474623.3889 619104.9916 446522.6037 579874.9810 465347.3040 985463.8199 1141682.7021 705650.1912 613731.5342 933267.8128 449467.9837 696943.9987 705295.8447 782005.3302 623734.5041 650549.2879 727146.2734 659816.5898 708379.3585 1720506.0697 568268.1364 548340.8453 1214975.0794 883052.9535 631513.2199 832573.7057 340915.6548 674137.0500 548385.6736 993714.5022 1363511.6920 1031339.3840 263653.8024 765220.4107 759123.6742 808480.8872 849537.3174 1260174.6828 831539.2949 642953.8387 364821.2234 584174.4154 666546.0197 1127134.2202 629627.8686 582118.2587 913119.1274 604696.1095 639081.9320 456281.8799 689682.8773 1025275.3045 704361.6259 1296058.0913 677033.0291 555751.8928 710667.4074 1389914.9133 671951.9029 733145.2118 1173218.0080 390464.2721 293959.1885 534944.3800 1082044.4219 810604.5466 520184.2888 719674.5681 918788.2092 351544.4491 575785.9726 598109.3603 527453.3781 710555.6847 658872.9084 516733.1093 779581.5039 1075059.5255 1229481.7471 990294.4463 608560.0678 912778.3483 717032.1738 1562712.2632 1100268.7915 1234987.8915 1139506.4001 663062.9122 484591.2162 658494.5009 1114912.0344 680091.4492 807586.5886 764286.3790 648670.1576 362445.4283 934763.7062 959216.3388 1273009.6406 1084366.0215 719799.1291 1146510.8315 815712.5508 428871.2364 571718.7228 725149.5504 773099.7649 505021.0720 727898.8257 386318.7616 647761.8311 702378.2768 618980.7955 706267.0499 438670.0201 852162.2168 522488.3564 968565.3766 652231.2546 507554.4765 707698.5810 620222.3993 679475.7939 320864.4007 1229623.3127 723751.2886 639294.9214 718631.5066 887272.9613 592633.8011 830270.2202 1011500.3292 985335.2204 336291.2437 651656.1436 1248223.9358 636173.0809 547701.1663 699546.8958 603179.0125 636592.5238 493794.2917 583332.1380 556278.0808 2-Phenyl-5-(trifluoromethyl)-2_3-dihydro-1H-pyrazol-3-one 745956.6462 703012.0046 2555399.0425 2406331.4036 3099800.6450 2347022.0593 3077635.8466 710982.3635 2973394.8890 1689167.3826 891264.7391 2875935.9386 2227393.3715 796406.5993 2421881.5884 2689257.3589 850140.6198 1846933.5094 2660254.1829 1905759.3592 824589.1642 12624346.1878 734940.5402 2912872.7747 2324700.8002 714142.4381 1853724.9487 2667977.9872 747399.7815 701415.3343 2548389.9604 3114420.0260 2354650.8802 3070003.5333 2965386.8697 1696538.5276 888133.9387 2860541.5897 2211563.5079 794741.6598 2429274.2335 2697473.2042 848550.6509 1913632.7017 821977.4645 8248777.2380 733365.8304 2920162.4682 2316993.2400 2391808.7138 744297.7974 699822.4537 2562952.9806 2398811.2069 3107534.1362 2339425.2938 3085509.4061 712605.9238 2980448.3076 1704540.7140 889704.1671 2868565.2470 2220300.0317 793357.3286 2436652.4847 2682565.7482 851681.1437 1861668.4197 2653274.2290 1898922.9307 823406.1516 14045946.0246 736546.3699 2927665.4404 2332125.9092 2717481.3480 2279625.2074 1771495.6610 2287038.1210 728400.9136 2995104.7631 2540860.6732 739458.8388 1883985.8780 750588.6710 2004033.7351 3137245.3170 2592778.5889 896168.3773 2488938.3338 2086006.4015 3062931.1685 868949.8452 766561.9518 2504018.1341 910161.9360 1920396.1398 704639.6738 1719189.0476 2250185.6399 2703952.3491 2264908.5603 1778644.0742 2294236.2501 729903.5822 3010505.8687 2533327.6163 741083.8422 1869109.5487 749173.0486 2018751.4649 3129268.2121 2577671.2759 892935.6123 2473888.6806 2093572.8612 3035222.8378 867548.2002 769179.7151 2511762.4389 913243.8735 1927715.0853 707838.8729 1726617.1438 2242777.8087 2712554.1599 2272371.3172 1763869.2389 2301902.9297 726777.2472 3002981.3316 2526206.7782 738011.5113 1876857.4756 752362.8251 2011502.1067 3122582.7111 2585826.5730 894719.7716 2481451.9229 2078669.6941 3048126.2386 866205.9327 768210.8188 2496512.9386 911916.5180 1936020.3477 706159.2897 1711372.6935 2235234.7706 900509.4396 2786681.4291 883356.1822 1801687.2723 763176.9088 858065.0828 3018283.8913 2026231.3884 2757038.5936 873845.4378 836074.0575 1965631.5325 774431.8802 2123166.2528 2899216.9244 1831687.2945 2190623.6371 2451467.9907 2071379.6869 2957993.7488 2854159.7613 1974354.6506 845536.5529 2041267.9986 2772056.7031 872385.1850 1951521.1785 2906182.3087 899113.4717 2801718.6180 881875.6711 1808340.4367 760211.9929 856429.7788 3033150.7788 834322.7365 772879.9657 2108301.7488 1824250.6910 2197957.1726 2444102.6458 2063659.9800 2951201.1526 2846794.7462 1988935.7614 846775.0163 902445.9530 2794437.8528 884661.9762 1793527.8211 761811.3063 855008.0332 3025878.4627 2033692.3918 2764772.7239 870944.3725 832881.9967 1959089.3012 771234.6997 2115966.9415 2891221.9270 1817234.1072 2183036.1401 2458594.5134 2056674.9132 2944071.1673 2839434.7504 1981874.7894 844075.3998 815352.3164 2816512.4641 725167.3521 1749343.8748 790150.3267 903385.5423 916015.3104 2131025.9066 776893.9867 2368543.1721 811944.1645 837284.0018 785324.3475 2630558.7611 715702.6660 2160532.3551 802667.7428 880222.9466 859952.2038 756887.8103 828065.5546 2600746.7777 2733761.8205 807521.8472 779836.3578 2376461.7362 810483.7746 840568.9884 2637889.6399 2138327.2848 801168.5983 878689.0478 862879.0381 758374.4380 805752.7596 816684.5583 2809071.5908 722079.8728 1741756.7882 788463.3103 905030.4363 782286.7499 717334.8969 2175777.5456 826488.6423 2615785.2539 2749434.8602 818880.4757 2824386.2674 723700.2309 1757106.3395 791728.6485 907035.3467 914265.1613 2145861.5066 779075.5886 813814.3687 839166.2286 783916.7757 2645376.9514 2384693.7608 718908.1180 2168133.2405 799537.2565 877265.1546 861472.7739 755510.1722 829502.6645 2608518.8796 2742104.9441 804503.2906 (2R)-7-Methoxy-3-oxo-3_4-dihydro-2H-1_4-benzoxazin-2-yl β-D-glucopyranoside 26646.9462 74413.0313 829701.7596 1661535.3815 1320204.8121 910351.0675 65775.3910 157685.7302 324462.8603 839833.8021 376910.7006 708742.2959 684214.0790 205934.7974 1577768.3849 174931.1296 997960.1354 383853.1909 162128.2919 277298.6794 17859.9589 1323338.8640 755980.1503 870452.7692 501302.8019 496474.3250 843971.0766 539232.2673 92625.9586 215058.1722 825879.2614 1461969.0179 483526.7323 175744.6921 259056.1658 787437.7723 843075.5366 190695.4446 568367.4009 178064.1321 536162.5794 198.1457 1638486.0579 570031.7820 842967.4997 24916.1183 771390.0430 239694.4536 1321915.1178 172830.1345 597359.0158 826406.4275 841805.3933 852925.4466 1047216.4643 1192.0541 936870.0262 1003136.2029 962090.5270 676305.9544 871187.3572 33624.7839 1347902.8567 852492.0210 1104429.9916 829816.0203 591000.2819 1168690.5973 946136.8336 296556.6202 691597.3677 384786.4325 429983.3397 116750.8024 59013.0663 545203.8954 916718.8949 5100926.8030 1009160.4350 793197.6108 620692.6516 137404.1278 1027105.8884 1709596.5118 500791.4894 127303.8786 237074.3663 464530.2298 859220.5284 1148584.2941 445863.7048 856947.1662 3610320.4469 408410.1018 284459.2837 1181646.1403 307969.2470 594205.7587 313348.4673 114683.2137 394410.1566 1031424.9286 83521.4728 489776.9972 599535.6425 207810.2964 796465.5640 847794.0089 869751.6830 188760.7814 1054795.2801 1020895.6597 902240.1698 783138.0341 1057220.1007 62641.5275 834094.7439 305481.0011 367307.4258 376160.2408 1039874.2558 2883604.6501 720210.1186 5095.9010 869982.1711 271463.6246 178200.9423 896645.9307 986392.9691 131833.7511 281493.7815 118852.2036 36763.3225 370603.6568 296294.2130 570397.8523 478387.8115 101906.6271 2084260.1138 322567.0747 229647.2974 839764.3970 92184.8495 277448.8719 26076.4851 427550.3927 1039380.8609 1440972.6966 307161.7651 601081.8621 379493.3782 36766.6633 894629.5450 160985.1172 834040.3181 374207.1097 785241.4861 410022.9260 410810.0027 1058268.3250 1039513.8825 901291.8116 1005182.4776 284291.0939 1025775.7204 984351.6541 129603.1802 888264.3134 70374.8524 997008.0204 70916.5840 134830.6702 1524067.3657 1067315.3716 812334.7809 599066.8735 446195.1764 236974.2073 1468455.2632 322759.7815 197762.3273 1849155.2362 1197059.6531 295984.1137 802808.6884 185513.3050 974540.5357 934202.5650 345479.7102 2001328.5888 512131.7071 512153.8385 387963.8391 210297.5139 991963.5720 500260.6728 531538.5264 1280311.0124 554482.4045 499428.4494 142608.0149 512197.0200 358796.6889 157793.6965 266959.7441 585870.2398 549141.3478 770299.3685 283261.3981 814836.5949 900929.0062 963269.0435 935132.1273 835899.5896 1064926.4900 615021.5719 919747.4932 834259.0448 988941.7037 924786.6497 88913.5245 177086.1661 938626.0381 1024613.7669 1015941.0480 668831.8798 572425.2163 975323.1904 784270.8572 398061.1059 950875.8820 (2xi)-D-gluco-heptonic acid 86548.3967 219212.2911 99047.2589 185448.7673 123691.4514 68652.8139 108752.3323 48093.9940 119736.5458 78720.0819 108977.4947 74448.5772 218200.4012 12145.6662 21155.0531 234326.8042 225332.7681 164031.9994 115559.0134 93325.6558 212115.6762 196534.6220 361849.6789 90279.2245 266832.4731 218182.4193 120386.7970 88107.1124 358.0918 212581.4657 94001.4751 142756.0053 197401.1722 193625.0345 96571.7231 218560.4332 64516.1134 119382.2046 208867.5735 704439.6955 241623.2565 200519.3717 274930.3593 557646.5613 276483.9712 255231.9767 277843.0099 266663.0596 114637.7145 8161.5301 732881.2345 101580.9052 21879.6027 127687.6667 290768.6690 361765.4787 660185.4055 128007.2943 106243.0815 508575.2542 220883.7729 69316.6795 128642.5683 295359.1274 165636.8930 120936.9695 247797.6003 117319.2555 530710.7131 259071.4450 192994.5685 91626.0811 372561.4983 344813.6426 303816.3179 67099.2921 88362.7083 229916.5280 254677.5958 224549.7071 195179.6878 66456.3801 172771.9438 43295.1589 70500.8650 150486.9811 128245.0953 203164.9859 81825.6070 99630.2947 235557.6793 181050.6651 37712.9565 282676.9389 80856.1672 375650.0856 257498.0855 249242.8336 193041.3150 194914.9158 314276.5378 77898.2282 91038.5492 53627.8757 207722.8071 149556.9187 308292.1234 186450.2049 208590.6539 123034.3820 394371.1153 48997.5860 132836.8363 75216.0828 88364.1044 83538.9170 107801.0671 177164.3863 119805.6893 237327.9058 155643.8093 187345.6090 160636.3301 219526.1526 52797.2744 244252.5682 197603.8677 332657.1562 215754.2096 117091.1878 85314.3412 77613.5724 534157.5700 100306.1578 202181.3137 551634.6489 254889.8709 1261233.2208 115640.5292 210124.7221 205970.2226 15767.2065 67158.5058 246676.1804 241436.1114 1104866.1211 193953.0298 109754.7642 577886.9576 302670.1957 516832.4623 49454.5514 114123.1218 176657.9758 568306.3484 227912.7634 129733.9697 339330.0871 384901.3093 359140.3092 2036960.1849 181484.2184 184357.3804 246367.0327 729686.8698 194550.6517 243019.3518 61656.7641 635196.2383 361947.9852 222276.3410 413105.1855 419542.2375 462135.0851 304773.3102 218864.9459 360576.3392 66622.2369 141870.1706 220581.2112 512870.2896 262650.4464 318938.0459 677223.8750 649961.3845 131765.4911 303441.9119 370262.4186 86723.8058 124832.3288 150202.3857 221034.2335 212331.8325 134657.5463 180662.7844 152995.2226 321114.7085 96391.4053 55038.1888 53800.0213 171559.2177 269870.9239 206154.7046 146021.4942 36591.0043 33755.0122 665759.8290 350469.7302 229699.6620 270959.9398 399153.1700 101171.3246 258467.6361 215439.6546 261756.8102 122108.2828 147949.1212 213578.0480 231726.5569 319766.8059 209047.1802 103309.8206 133294.6579 266798.8139 216057.9640 92539.5106 161545.8328 228567.9827 97760.8308 213669.9171 890465.3599 299652.4831 212041.2094 81037.3131 135329.9513 112974.5973 183590.0668 269184.3839 86353.5198 330536.2513 219303.8386 228335.2853 342964.3423 128477.8559 219197.9368 188092.2010 90937.1344 111626.8678 207993.7503 273797.5068 210431.7040 93608.0083 140867.4446 696517.2897 147621.8835 157096.3663 104015.6048 207082.2620 178456.4695 181658.7965 223988.9481 229326.8313 869675.7742 344039.4986 340893.2123 247267.9084 425164.4155 305663.2114 253639.5368 264931.8839 133353.1941 367140.5662 117629.7910 84237.0612 213558.3572 145903.6794 281524.9763 221712.4768 24123.7978 146282.4179 283357.9477 326322.4714 310056.5616 204497.3397 176735.5710 447821.4860 424234.5262 485826.3142 276360.9590 358305.2716 79346.8193 357469.1641 139090.2291 912607.0152 217401.9806 484301.1370 834997.1829 175703.9439 243548.7724 373676.2612 649391.3297 259152.5581 113342.1884 92193.6647 78606.4011 94942.5496 216084.5681 424148.8064 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330556.8420 256189.6789 114855.5698 835975.4597 190018.5106 239561.2356 131178.4771 187046.7184 164897.8935 1021546.2150 140379.4744 257590.3845 533184.9547 594482.5061 249057.0739 226810.2469 70971.2471 226822.6870 239647.4158 203603.4678 232888.4101 148211.8881 255551.7161 262995.8879 45224.1125 223184.3349 185892.6966 197458.8776 273139.4774 261030.1345 203113.7043 168462.4033 204594.0082 63323.2923 211377.2352 400872.6039 106195.1316 218840.9013 226723.2155 291147.7856 302522.2557 383919.7538 228811.7110 247252.3473 189396.8300 281697.9219 152688.6289 202150.3117 169225.7851 202647.3489 129755.9772 3-Methyl-2-oxovaleric acid 8837736.4738 35190069.5347 50231804.8891 2300.5340 2005300.0093 10340832.8387 16256062.3481 39571170.1152 6094054.9912 25626219.2934 14601773.9303 14764981.7478 3835.8249 839286.1536 33122436.0231 2806.1555 60866303.3884 43385874.3674 12618642.4570 70771488.0541 11743786.8479 1485.3197 1347.7595 2414.9591 13783367.2526 106913957.0633 1222.7199 17004410.8298 22485439.6015 123528847.0748 18261057.4352 14148623.4680 18601535.4734 44761921.3741 18312594.0032 6486241.6431 787713.9267 3189.7909 1137.7368 132759965.0050 18843688.2317 15362296.7947 2397.7939 17298813.1495 31328517.0762 15559216.8996 9096566.3230 33024369.9766 25245489.7973 12824934.8533 12577606.4112 11659580.8223 22388219.5430 50407896.4130 1931.1938 24295744.5740 36439450.3886 10325740.8782 24357872.5472 15802449.4014 514.3020 14176292.5309 12526948.6894 66984623.0603 12372300.3991 56719575.4131 169299225.4160 20638200.7153 8541001.7836 19189178.9860 68360218.2723 12458274.5963 17883122.0674 34143541.0768 18898080.5578 13310852.0869 8005768.7933 36851959.3246 16408136.1132 36188955.0362 1400.6141 17400093.4791 16339330.3249 7693044.9872 3127.4499 3591662.6837 14429722.7312 14689129.9971 761.1105 14361355.8561 25830702.6631 65721699.6377 1118938.4712 76037648.3601 9656283.7625 10389073.3912 17064925.6567 2251.8075 14877975.3738 1966785.4938 40188371.8061 23636144.2896 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3861.4352 23732530.7906 9008445.1821 23275546.2040 9143118.3789 18165979.6055 77751407.7216 3030.9502 9486209.5184 10139241.3144 2562.5734 3342.6880 29593308.5411 2125.7255 5896179.1473 7591031.3686 922.3441 386.7770 15002047.7340 21163690.5841 38119862.1752 11897791.8448 23257680.6465 16905705.9965 37481428.4037 8908900.3389 9153550.3160 16291064.4844 88797151.7538 10991055.5211 2785.5169 27761526.4051 3663611.8034 15653167.6926 1028.0259 5470875.6133 295.2933 27575048.5528 24614036.4602 24680551.8700 2711.5970 13454563.2976 17726219.3015 8676245.1290 908.3261 16977992.5019 145519531.3380 11569366.9143 600022.9691 328.6427 3211.1689 8519692.0925 13281435.1695 26956023.4875 6009281.5506 54151431.6767 261.9159 2096.1806 1191.9688 32395555.1668 8318780.3669 12170249.1232 12772168.6942 4265717.9219 11046712.5803 14845288.2692 36.3223 2373.1388 33389561.4904 10510097.9593 110.6237 15672215.7897 30617432.8521 4530885.1809 18525127.3384 52038259.4106 2552.6343 21831050.7447 49762429.7997 40156873.7201 33342288.7613 25845466.3979 48333510.1406 1236126.5063 10501004.5327 45175113.3684 23897953.6823 3955.2835 15259226.6567 2825.3207 1487.6393 17955131.6494 2046.4285 29180449.6499 22132922.3437 114036225.3614 102978376.0774 18436844.3674 8091665.5863 10256410.5689 9271854.6768 101674924.9123 8686243.7253 485.3073 287.4824 17104769.4823 14979155.5325 11144622.4514 16945470.5178 3765.1121 2334.8347 17077872.0902 16704777.5547 18255010.5846 16401853.8717 8344099.3124 19082470.3018 2048.1394 963.0680 20654127.1187 19081396.8952 12089936.7734 8353157.3977 16686531.0339 52206239.1609 2732.7663 2321.9422 12400022.1940 2321.8069 14417671.3677 10449926.4469 2517308.6549 3879604.8694 88988007.1627 1725.5742 36256978.4759 8636632.0901 1349.8924 12777825.3751 23281921.0318 9754796.2091 2328971.4515 15253266.7219 16071189.2269 63839033.9398 16717115.7325 27657409.4165 9233973.5707 1991.6512 8232257.0562 49263127.8652 18291474.3046 12019903.8737 3305.1983 22632881.5493 20734079.5026 2952.4029 150531.3813 12385190.8190 15162807.7507 1305929.2559 13666272.4667 3390374.2897 2779946.4457 6143671.3715 26840633.9157 9745274.5058 218.2894 24.4394 1321.1101 9223867.0330 8352618.4456 60451486.9567 21569380.1843 5400947.9022 83443215.2600 508.2559 69477903.1810 5621173.5061 14548357.7111 4019354.2169 69919516.2429 3717.9695 43497507.8161 19348636.4290 42988417.9119 9530757.6902 17362552.3305 62820557.0227 1732.1434 2428.9673 7060589.7456 3022929.8796 28096266.4841 1112.8166 492.3955 17288394.7879 39033310.6328 4915552.9488 19702396.1013 21356900.5630 1871.9730 20389633.8198 161040154.0842 29238841.4449 8240801.8697 166425331.0120 71171135.2452 29337070.1575 26142099.9196 24644314.0962 11082995.7646 1025.9431 706.9392 22131656.8284 8221230.3770 37245183.6064 2704.6304 31237754.7034 41470801.0818 2917.4570 1965.2786 1466.5595 3700.5368 1422.4725 13526943.1813 2546183.2082 161382879.6256 2363.7870 9909671.0487 32217644.9044 5084346.5185 2120116.9601 17564094.2993 2654.1760 441568.4311 13219799.1968 12548242.8686 169053096.5199 651.0961 10797257.8182 8084669.6232 70811634.5586 23809452.0881 7206522.8387 7907668.8514 69493121.0232 9701449.2199 33228052.0076 11214772.9166 2109.9186 3247.1690 243597.6015 15272317.5917 9379245.7034 13816036.1286 2231.4414 643.3366 12333235.0989 2356.7860 1011.7871 168.0666 5260733.1299 12047848.8427 21662447.9645 3285.1703 48339289.8530 13504554.1531 1892.9764 645.5273 11528545.3487 3091.0505 96178481.9860 13652970.8761 3-phenyllactic acid 1232.8481 3627386.9546 227787.7768 258421.3702 1761294.8409 3714.1045 987559.6776 7867295.3597 2223.5087 3219.6835 852756.2386 501.4656 5301100.9232 3472.2183 3241.2004 5421975.0998 15225899.9684 2070.4973 740850.8936 3313595.6473 335234.2268 657627.9635 483.5879 1596.0858 5117138.0329 2860.7403 264.0817 674749.3444 2347.9406 9260197.8132 174882.7760 720205.2710 825190.9033 5699449.7196 309430.9431 1327243.5591 3802.1282 3974.5715 4474674.8376 2896654.2647 569.0672 1149.1360 3784143.3754 1136.4244 2156458.8147 262578.3274 606179.1471 9059245.0315 709.3074 2653.3730 1696480.8771 480.9346 2001.4583 554.8208 6189458.1709 937.1234 358052.1254 688816.0916 1333997.5706 1520902.4471 2261660.6534 940.3883 1345.3087 2905666.4185 585119.9054 809.7431 4738770.9889 273943.1448 2044802.7325 1040337.6828 6246928.5198 188435.7314 1922324.0198 2544835.8235 3350.8761 1917.7580 788.2263 3710159.1282 496.6416 3609494.7004 1993.7574 3839.9611 102984.6320 452.1684 2441.4123 1986.3537 236325.1792 172.3806 5637309.7018 2356.6792 748.8999 66764.8020 1873.1740 3051534.1699 425260.1144 551403.8930 2518579.1952 5138136.9390 3923.2948 1350.9325 7735197.7093 3813.8422 1528.5635 343050.7062 1110.8483 7718076.4681 338260.6537 726399.8403 4508.6312 7199385.6861 120569.8307 620401.5054 4.1137 2733.6025 18657905.9844 4710119.8896 24288875.3361 1151.4658 651114.3893 2628.5805 366015.5456 1534274.2538 921932.5989 21863985.3148 3138876.2179 534037.9361 483143.7423 1881.0087 1239393.0025 2538.9440 325537601.8681 2951.2972 433519.2944 533.9916 902488.2249 16952441.9819 6259498.1891 2913701.5673 7133344.3797 294506.0867 23414977.9767 5787651.6450 4072989.2726 6830281.2497 463.5116 1178004.3297 886474.4761 1555422.8582 11413974.9639 5843289.2305 425197.4614 5487536.6895 37890255.7592 30945373.4210 1559308.1697 16830211.9710 2233.3717 222599.4026 2097.1842 1592.0088 4405818.1513 5474272.8855 24587635.6098 2346514.0919 12171608.2440 3208.6895 430.9692 1628095.0683 174.8370 51094380.9596 7287510.3308 516374.0754 2803.9356 359.2148 9272379.6467 9407877.0068 1912090.1796 4218235.0518 9933835.2208 18941398.5009 10256937.1756 1300577.9532 7280429.4399 1769.0175 683005.1824 361460.4970 5687956.1375 9412025.1577 3308608.5006 1044148.9562 1052.1976 2758.1464 2435.0128 672181.1890 3613.3481 3949.0485 230962.6197 2340.2339 5920477.2489 533585.9440 154357.7607 6650521.0894 2674622.1587 424344.0965 125242.1622 3045.3362 128227.8101 3991711.9151 5217858.5999 8161486.3840 270062.6389 3173.3957 3729.6386 5828515.2076 1316.4206 5178797.4039 1213.6419 2268.9682 506.7890 587359.6518 5746417.3181 6995275.0398 1727.2160 1943427.2642 631097.5564 8361484.6175 2947.2781 4224314.8362 206109.8441 3077.9151 1267.5700 8459460.4552 3275.2951 929526.3209 1415826.6682 3135.0396 2589.3585 1895.6889 1678.7039 5061927.0322 1715.1275 1374462.3607 3834825.1085 887373.3730 2190.9488 2291065.8090 189875.6729 6017766.1852 2472385.2415 481.2431 499211.3536 739445.8459 1133.7630 1206350.0134 561623.5298 2112678.4005 3374.7698 5375308.6657 2613569.2197 8444362.9215 20637570.5635 1473000.1415 641901.9252 1201097.6790 35780216.9645 492719.2233 13244221.4348 2938.5500 3220424.0356 636017.9763 1687.9600 2334.6142 172112.7940 6155379.5003 1116.6433 784592.6990 6674638.4366 6704729.2345 519716.5654 1276599.1259 21862.0264 53.4911 2054809.7469 2851.9654 852.9755 3393587.9139 2025.2387 1029039.8828 1764289.3431 482273.3267 3675917.0369 6488900.3205 14274.5828 2745.3508 669488.2948 3199161.3548 3268544.8370 4934083.7011 15128457.2463 18571224.2449 2473114.8009 259906.5208 3231.3773 3609.9565 880676.7245 5268328.9389 1358.3180 196886.5987 2291810.1006 7143180.8552 1254.9415 676.2766 3650.8548 289.3994 8524222.7822 3122.6992 4150561.0226 1852.5062 720.8186 511541.7634 99700.3758 143873.7494 1581.1641 2229.1695 373523.1756 8203463.7287 7515144.8219 2520.4526 460584.0334 5665887.5075 2423.5779 716.8386 3984.6699 275024.5567 1827.3243 800.5047 1524988.3047 3094.5507 11277702.8222 226677.0057 986.0110 2384.8597 2810.5811 1000.2096 1068.6198 388.7892 6594421.4363 180959.0613 5229142.7382 139.7553 2633.5923 10927296.3491 1954.5884 5701585.0767 977681.0423 4694273.2491 6265197.0491 1645363.6457 4999717.4884 778.5892 3036.0843 4516622.9128 603.1369 1019020.6176 6503806.0991 1435.3894 14523442.4725 3558798.0782 687592.2929 3175.5359 5754817.8168 967662.5405 1185287.0200 1524413.1976 754658.5438 708.2828 244.6340 711466.6939 4567855.8523 2064.6831 18790995.1919 2658.5307 943285.1137 173374.4805 6082672.7604 819.3821 381.2429 4710448.0948 32.7207 4132296.2803 343332.0963 20352657.5974 2676.0721 5897076.8763 1202.8002 879803.1166 3024116.8100 2416.8479 2831.3858 60560.1660 7355936.9561 3658.3726 3702941.3185 2534947.2357 201.9023 5627556.7041 830216.1760 1972162.6667 3326511.0276 2883407.6853 626583.6426 918645.6045 1183589.9879 3043944.3181 493167.6131 3026346.1929 5775404.0223 3134534.5146 770.0120 6698846.6421 3552.9363 5505399.3005 3488.4150 5421444.0140 8126443.6554 293607.8353 743099.1962 4430712.6103 3269.5127 6609297.6730 102.8387 6528112.3261 197950.3063 4924031.1596 414072.8110 3483.3516 3556702.0325 2711.1201 3894288.3102 163480.4492 2806.1097 4758636.5617 6834514.1769 902810.2272 851378.1310 171553.7112 2929398.8294 3745719.9973 406080.6645 5097629.7985 2510.9453 1082046.4017 481728.3876 7717708.4263 58319.1147 4-Hydroxy-5-(3-methoxyphenyl)pentanoic acid 66102.5187 1344435.5903 77427.5987 1262943.4448 31153.3223 96545.8599 21013.9110 670998.7122 55278.6096 147154.3080 21782.8483 250846.9304 1300644.3348 50681.1608 101676.3353 1543817.0258 567772.1708 47164.4824 143870.2415 75445.7149 184261.3871 1270490.7821 115779.1374 57892.8110 268328.9323 56124.4262 136410.5923 215553.6393 30960.1989 1503701.1795 36930.4818 112372.8262 26312.3072 1259539.0558 21334.3198 42560.8647 1103859.8890 682202.4604 1298817.7283 356714.2076 143604.1632 113116.2083 1331284.2860 101050.1630 1196111.4854 106330.5053 63894.7176 1312550.2438 103130.3763 383396.5588 54461.6832 807268.0696 269154.3670 666737.9686 1548458.4999 1251582.6272 148494.4634 175331.5360 65796.8954 628253.9113 1277434.1689 107381.1518 65849.0454 468010.6103 350516.2530 1452325.2675 295421.7045 375429.6029 35359.5905 1148955.2574 26837.3797 27059.1598 5201153.3862 1032302.4218 327600.2126 812780.4977 1350030.7840 518047.1390 1150172.7027 48188.9883 109392.8116 1307639.3273 124837.3960 369240.8866 499869.2515 85586.3840 1190812.4685 1250113.4527 436784.2130 99863.0155 1624125.7055 275567.4226 153321.7759 6417.8699 52541.9410 191508.2164 1443553.1133 122597.5129 38689.1235 1556124.7166 252144.6497 100379.8855 1378615.4954 872768.9843 1371717.7222 262272.8730 36694.5699 28400.6676 1345028.7856 161417.4824 24348.5773 60651.6478 277490.9046 54368.3061 937763.1908 260381.8516 169985.5351 33470.7372 131840.7883 1310834.9668 159359.0388 65676.0451 7229808.1085 93236.1858 80400.6287 1617679.7209 703379.1325 473466.5458 1222124.4093 65808.4955 1360346.4809 25480.7963 25804.1290 95466.3578 12315604.7777 1124492.0755 1617374.6427 393220.4056 875634.6936 103971.8350 9729366.6640 1444697.1742 1369004.7822 37388.2961 675171.0350 62899.5570 1351795.2505 110827.8335 1282685.1990 28500.3715 31719180.0547 199536.3305 219906.7100 1336518.6247 116702.7995 177008.8487 110348.4897 2068944.5174 1216186.9161 317327.9340 170169.0831 156230.7499 218895.7407 547684.3059 7600000.7704 34033.4324 11913.1819 834539.7486 70558.7794 1371344.8301 59593.4526 32973.8408 123392.7914 14560406.2616 1278884.1782 1617028.7290 92525.8322 984106.0281 70510.3033 7150380.5232 212499.7969 1312408.9553 66283.8952 1196419.5065 67918.5586 1433495.0286 38952.2552 1262041.2903 476659.9165 13804389.6498 182714.8570 35453.4116 204805.0508 455574.6776 1061039.1832 571588.8663 1157390.9390 1225379.7459 111099.9993 47997.2334 56281.5423 45370.6581 29205.9997 44313.9259 157268.3969 137825.5733 1343681.6910 20058.8823 1311114.3301 14954.6814 20592.4436 30445.8634 79810.1752 144395.5824 1629225.1940 96636.0729 131681.9162 22048.9259 31815.6792 1575653.3467 1391899.7701 156573.6360 47632.4193 55720.6695 1464890.6918 19972.8787 1278959.1784 409540.1533 399328.2488 145468.5027 1032661.3597 67238.2594 127535.9253 82594.8239 51467.9951 1576177.2425 412780.6553 953812.9948 1540226.8541 2989512.2490 435520.5528 34651.7480 92684.1086 44194.8656 40891.2209 2827883.0024 1578565.5321 1291623.8791 76502.6378 22864.6763 1403529.8052 46320.0807 100761.6302 53547.9044 545000.4510 72286.5158 22330600.5919 33505.6469 64316.2726 51545.5946 43208.8470 133534.4880 108016.8332 70532.3464 21164384.1165 41990.2491 56765.9992 845971.0007 2143972.8559 70622.4010 46801.8112 6810296.5154 1580393.6798 64213.9409 21722.0189 196406.7514 80736.9295 553423.2021 176643.6665 79063.8560 1580979.5759 109380.8979 1182386.1957 1466312.8904 5226436.2284 763624.0901 477848.5869 674437.2847 1392041.3930 62105.5674 73420.9713 691224.5991 246868.2844 19437020.5732 188756.8704 172713.5941 1613421.5673 88261.4893 293568.5534 288635.1868 112915.9867 48816802.7007 50946.5388 104394.0104 7128169.1223 1645528.4430 132309.1729 268356.1273 28567.0267 283242.3078 917948.5341 36926.7957 1383735.1421 1559645.4716 40186.3810 21041.8041 196145.6790 33295.4430 22598.9652 35538.9127 111926.5748 1594662.2488 1511313.3898 25692.3619 10340.1739 1409796.5053 305264.2595 169199.1279 1460423.8704 166552.7588 43933.2303 26794.0669 338215.7053 106352.8604 48420.6348 239229.0411 622791.6922 224878.1431 137456.1829 290611.4334 76253.2981 24526.0215 1398974.1953 119049.6725 1481657.5546 369986.2935 1301098.6379 34326.8767 1380996.4051 1637195.2942 26523.8445 6594176.0090 653446.3621 128365.0099 486440.0110 146997.7238 115278.9815 1440498.7009 1416793.2804 57410.2534 1036379.6980 109744.8542 1123942.9674 31602.9786 69759.9938 1441693.8508 455010.3087 13432.3645 550785.6212 65218.2401 1555782.2716 1375119.1608 43007.4990 1516196.7233 993344.2409 193751.6595 75996.3358 1469442.0579 34807.4747 241856.6983 137736.0688 983784.4064 158963.8027 1450674.4914 110002.5566 66984.3545 1396282.4562 81153.6715 1471603.8147 1339335.4799 1461702.9857 39810.4059 1456040.4657 617456.1099 1282942.5477 1010028.1765 1187279.5355 1641465.6341 16120.5329 11378557.5348 1316883.4871 34577.8776 72556.9637 30430.4669 550048.7579 46105.8352 1501492.1670 6444521.1157 332745.3673 76519.6646 1493258.2095 33566.7308 1321737.8668 335081.4809 1386156.5548 1650185.2416 180584.2822 58993.8001 1470369.0069 22448.9448 1178530.4111 45319.1089 1482586.8413 1533883.6924 1317462.7491 384001.3011 54154.6616 65751.3861 191361.2550 1305408.7714 96841.1032 160492.1659 1448039.4332 1500370.4552 533841.8430 149805.0896 42525.5764 1568446.2480 1380904.6502 46631.2042 1518016.5478 71924.4618 131838.1302 100683.8504 1467899.1492 33623.6816 4-Hydroxyhippuric acid 13455.0445 44658.5911 3041.6946 18801.6892 1440.0279 1843.8693 6206.9533 1040.4572 7976.3361 198.9872 26749.3902 1763.2181 15132.3840 439.3262 982.1565 20483.2404 1696.2539 2225.3524 108555.7300 4067.9452 115.7909 10672.2499 2099.6113 79355.1833 34341.0825 987.7834 545713.1181 38639.4052 1886.2582 22127.3062 3952.8964 111663.9677 196533.6313 202940.6544 5409.1603 92106.3596 92195.9994 40826.6022 29967.1173 2822.4903 2444.8194 223.3442 16643.7759 3425.1651 10347.3649 3530.2610 1493.4932 117.9920 491.2276 1828.6617 9953.0019 580.9209 783.0987 3689.4079 12853.4337 1488.1356 2105.3814 113882.6217 2732.1786 10745.4207 10651.0748 1109.2423 176702.7092 37567.9000 3646.4111 224.4277 21074.3035 494.3673 77586.5247 62137.9254 34533.3265 843.4096 409932.2096 3462.8705 2172.6074 2695.4611 12135.0223 46963.3726 8691.9172 16359.9765 5166.4597 21682.6854 592.7100 670.6457 34652.1644 27336.3070 8535.1591 56318.8155 11561.5956 201089.6777 41628.8940 43997.1421 3791.5404 1200.8097 52163.5394 227580.0754 170241.5614 25261.6736 347.7077 1420.7680 23964.1877 2718.7328 8757.7846 35289.4700 18822.4915 534154.9397 2607.1833 910013.7357 16896.1043 16672.1246 16805.8106 52240.1637 4272.2027 18594.6417 1584.7635 2184.2228 3409.0181 85296.8181 1007.0706 3676.3320 344675.1689 65860.8514 7410.2204 1856.5249 79943.2156 18450.2993 185583.1423 258.9523 4820.0052 20660.5891 1393.4072 41761.7012 9733.2683 235.9624 2440.2070 307740.7159 2128.0030 20678.2169 1183.6437 727338.6142 24519.1271 140277.3052 11646.3045 11971.1215 1070.7931 149598.6517 49048.5984 1188081.0909 75819.0960 9444.0942 11167.8261 41350.5471 2131.0407 2199.0604 1795.1420 3852.6590 386.5494 2649.3657 132899.8524 140954.8650 15375.8875 11216.7728 2082.2544 80009.1772 26484.3654 5258.2280 375842.0689 408336.7780 9931.1215 584.9884 14339.4326 11460.9003 363805.7854 998.6270 92225.9645 653.9013 13210.1668 169.5162 1020619.3013 8482.9504 184505.7393 12763.1991 10312.2733 2878.9385 82817.7607 53519.3550 278748.6402 59145.0271 10398.2533 1969.5569 141662.2195 1083.3118 351.6275 44880.1052 2149.5318 3317.7698 5660.6655 94178.5762 22818.1022 13525.9316 43112.8112 2083.2255 521155.8115 208852.2666 179713.3291 3202.1137 1196.5126 33688.0960 2211.9864 23047.7387 3730.7446 3718.4484 571.3036 406871.3016 2371.3551 11985.1061 2269.0472 806.3971 47117.2826 2754.0586 37341.8578 26438.5192 8689.0650 441223.3411 24909.2516 55464.6571 53414.5957 38268.9006 11582.5549 827.9874 20541.9522 13880.6660 2953.9300 17150.6780 192128.8286 307856.2374 417779.4127 33772.4663 26277.1247 43854.4485 3655.5152 1953.1538 16094.1827 124699.2025 371.0931 395962.3719 3499.5219 14476.3433 31854.1525 13240.5351 4707.0586 11320.2779 1160.1599 3562.3458 194546.5853 175764.3544 150.8411 1155.4776 6522.4489 94299.4586 99936.2733 1311.2283 3961.5165 1427.6578 3504.6463 3934.8333 1418.8095 1887.1311 11328.6780 15698.2351 2626.8079 857307.9389 19206.1611 16929.3978 615.9840 2504.1949 3706.4306 14696.9541 361.1930 10224.7826 687.7630 41591.8923 469310.9018 901.4145 15759.7224 11476.9037 1688.5839 3942.6774 7676.5877 1308.5615 15673.3243 10354.6235 3236.2269 1563.7868 34242.4755 10627.4053 2435.2530 9110.5573 95535.4553 1049.1300 3342.7975 3559.3017 2346.4082 473.8326 16465.0012 1376.1502 9126.2345 13896.3161 77757.0623 56708.7931 5373.9058 13785.0954 1995.3185 234652.7365 18445.6795 173930.7644 37998.8456 52398.9127 14642.2205 42687.4312 9410.2742 27762.3840 2781.9261 642159.1758 62544.0753 14257.4751 30598.8078 1584.1845 9431.9909 11173.5752 29739.1325 1844.5618 9896.3460 19119.1598 1975.1853 870.3080 22497.9507 21189.5681 296331.1904 109575.6424 3382.4406 218174.9139 16942.5877 6789.0595 2995.4882 3745.2921 14728.4537 19940.5240 21595.6419 1751.5261 159877.9754 2896.3472 58985.4667 26485.0801 9825.2457 47170.8089 13489.5657 2197.9589 10418.1487 45737.8567 1073.3525 13664.6516 28986.1303 42390.6244 11807.9655 2996.4012 144603.0587 11771.8368 8901.9477 1450349.4602 51805.0965 11794.5302 14843.6905 16329.7619 11693.6555 11519.2539 12685.9421 10810.6148 25842.7914 730.0784 2991.6199 37034.7076 12741.9464 1351.6284 11632.4915 2779.1730 1060.3638 12199.6892 70242.4686 5823.3290 1811.3262 186840.3270 533.3303 25254.8287 11773.3551 2386.0659 19582.9726 11455.1699 13257.1645 3402.4032 42109.3758 166408.9287 60693.9368 3188.3404 29888.7372 12133.3318 14991.8437 141235.3032 27353.0154 12421.4780 14222.8950 2661.8126 40974.0121 7138.3379 1332.4082 26252.9736 2152.9652 61207.8354 2895.0048 21952.4893 2136.9121 91620.9736 8633.0938 27335.3290 22824.5662 12592.1917 72073.2763 225330.4257 940.5292 36454.3199 53909.1301 33057.4280 168514.3708 20936.8285 13640.6595 23651.8467 23443.7615 43588.3171 55849.1655 75596.4975 27378.6338 29988.6957 33212.5287 23641.9578 37642.0825 14259.0985 22597.5336 48839.0681 19256.9439 60232.3224 3534.7599 77590.9528 2228.4259 22751.3360 16835.5457 4-Hydroxyproline 28057.4110 152637.0235 55386.4600 141205.6327 167080.4585 103720.9677 40084.5684 122873.8072 142720.8751 180767.9034 63919.1498 55972.3026 117600.1362 103403.8083 114971.5675 143175.7141 113010.1009 193753.6811 319999.7700 157892.9246 105225.8441 127380.9790 90791.5810 106902.0666 142109.5548 231514.3984 76560.1848 70830.0490 95658.6558 133582.6655 103346.3578 243599.7180 143572.7063 134687.9232 88631.0857 89059.0177 340964.6551 130931.7419 115048.4907 361956.9628 92767.6786 69626.6830 169786.7744 76392.5924 134120.6800 269842.2907 65389.4788 150392.9996 72620.0318 101937.2068 229326.9147 32404.5304 117904.6802 82888.4572 141029.9517 79361.1851 308396.2074 246831.6070 93762.9918 270733.8946 141516.9560 95588.5078 200681.9052 138337.6916 34993.5706 65833.0344 130355.6692 75968.7329 236072.1843 184710.9191 113554.7264 104766.2916 249296.7967 424445.9520 140595.4483 182207.6822 103588.1663 137705.7014 74934.3432 169399.2218 138138.5134 162621.3047 184369.4409 216723.4865 187046.3639 121386.4285 120892.7997 223995.5006 116035.8897 227527.4526 416089.2484 166567.8158 132806.7517 266468.0262 162774.7956 263383.4025 165362.2185 176320.1275 124543.5626 544252.8485 137816.7219 314321.7911 117590.6383 124152.1657 102516.8061 235659.9300 186366.0393 361435.0495 102198.4314 193345.1051 239774.0920 351221.4085 246370.5347 155845.3546 351454.7213 36002.2872 494690.2513 91794.8345 58238.5802 82399.0912 155514.6753 213509.8544 176185.0098 203253.6419 205686.7401 113015.2646 53359.5162 85390.5672 228311.7747 142965.2339 387422.9868 122385.8615 65531.1662 100371.8457 121133.8893 135019.6733 149510.0001 150723.8292 1820106.4135 100301.4368 144123.6186 313823.7350 140404.8810 115369.2854 138466.7399 68813.1379 505429.6178 152493.6143 217462.7545 116085.2244 160401.3032 86876.8298 107434.5442 153532.2764 63764.9156 443723.5036 103083.6644 45500.9443 64284.6853 138020.1583 172376.4928 69016.9708 260854.7196 239560.6182 371485.8555 38079.2582 180087.6039 128551.2910 267768.6427 416897.8253 111949.8549 91953.3749 155227.5246 156580.1204 155557.0842 364856.2427 164283.1336 476060.3020 121418.0146 112513.3906 69350.3718 166779.7114 179355.8201 179545.5764 51217.7524 119544.7585 132918.9588 266937.3657 159088.1934 80222.1400 93015.7233 95734.2999 134857.3869 165112.0407 117800.1968 129126.6721 107203.5073 131469.9167 155383.3938 222347.7159 222410.8541 465461.3312 305493.2168 411532.8254 133767.1817 148374.7883 55688.2790 144959.8068 153937.6453 165037.9806 390264.1451 472362.3319 312474.9275 349447.5179 80645.8188 156199.2590 255376.8650 412072.8557 264415.2378 260256.1068 203514.3053 480783.9967 261233.6922 340261.2374 483507.1316 188180.2063 184407.3094 213727.6880 274219.9394 172173.8106 126643.5166 132370.2069 126529.1857 107937.7776 153736.2185 76267.3448 152247.3605 158861.7052 154136.7037 154757.1552 149325.1099 102794.3188 87189.9378 56401.3683 227053.2793 224200.5956 100909.9661 150733.5213 126713.0360 99431.5379 359829.7209 135596.3887 129438.2303 153647.0582 33918.4036 161453.4821 90096.0307 83260.2865 48986.7409 317982.8410 164966.8986 28616.1387 34885.0668 107649.5192 82853.5538 61536.9965 277061.8194 200723.2534 131360.4665 121161.7517 281116.6205 222558.5817 98596.7183 144865.1529 103312.0300 160872.3419 88194.5078 137191.1692 244996.3233 123826.0511 135097.2132 87774.5241 128091.5016 81319.8908 198600.1308 140232.2969 107674.8207 163207.6805 204998.1105 29236.9177 121076.3071 129119.5299 65643.0444 141276.0456 107343.5734 346826.1374 60447.7170 220242.9886 463321.6645 345843.6243 41011.5217 76124.9173 244171.8785 99871.5539 62837.2381 119502.9351 244417.6349 123842.2880 277286.8433 185604.9455 185725.7983 123766.1864 140398.8055 204459.3460 144412.1854 290545.9751 162622.2329 158090.2798 193752.4501 465454.4511 181268.2149 181823.2724 205403.4360 186403.3930 318584.7082 152778.2091 177372.7609 133568.9057 381248.2348 323432.9286 173468.1108 107135.0203 97856.5333 220212.9472 211814.1115 258927.8647 153737.9324 174209.6299 247899.9571 260223.8135 163463.3565 187756.9437 171346.6775 135296.7556 249545.2506 213364.7156 141672.0926 105164.1618 150515.9886 83419.7806 137607.3243 78147.0061 299230.9982 155067.9878 135547.4236 607780.0191 135251.9541 155100.4924 127503.4692 104642.5600 49705.2623 148654.8853 201514.5213 136150.1442 312059.4368 74794.7168 351454.8659 127127.3656 108128.3026 117174.2195 119689.2459 127921.4447 64750.9135 237509.4912 110218.4633 126616.9806 342173.2850 155162.7124 156177.4891 131151.5248 104630.5805 90197.8010 170720.0927 67756.2743 120374.3039 139949.5147 56624.9933 153618.1605 179469.6494 320351.3082 29754.1591 474590.0673 147675.3614 129512.9882 142974.9085 200379.4359 134174.8034 351863.9104 211744.5613 63531.9935 129142.4836 91286.5046 157924.4187 164850.1605 380957.0566 161679.1752 138787.8902 606576.5013 127424.8877 179602.9753 101111.1686 79176.9671 86138.6574 542635.4795 193281.4420 186238.3477 168428.9126 364907.5645 89432.1192 131941.6995 94595.4356 158531.4799 170349.2471 170209.4560 161396.4248 159598.6584 253896.3823 164765.5710 141018.0672 167320.6283 113813.4193 352124.3225 214545.0049 128894.1027 115027.3688 147113.4160 339876.7309 222612.3875 229645.6301 198974.3456 160696.5479 167810.7943 179115.0967 58083.6836 149743.1848 122125.3364 159542.0475 181393.1965 360396.0184 192578.1426 131534.1846 146810.1974 98172.2410 173998.2058 77602.3335 4-Methyl-2-oxovaleric acid (ketoleucine) 13313539.0261 23157979.7359 61062024.3673 41961798.0436 40148382.4351 7302518.0183 27964076.0709 39126900.3130 3320.0150 1246392.4771 30720762.2651 15241154.8971 64923193.4272 3810.8412 19536088.6644 111211154.6203 41873211.7095 99965798.4357 22681287.1639 135668332.4190 15315833.7359 71001264.3520 1786.3540 10858759.4117 19632668.4231 136556881.4935 529.4370 28456006.4234 19183079.8255 309.0360 18801877.6068 17326190.1946 24119633.3162 27797250.9359 39841134.9456 26002688.8077 2472104.6464 105.9345 66676732.9089 171623223.7266 35154593.9156 34517019.0898 41249191.0613 47455400.1569 26506423.2593 61270694.3376 25948029.3859 25017332.1710 33477580.2911 5601328.6933 28167484.9016 12660983.5645 37089027.0106 39992536.2047 76837317.1637 9093304.1889 93120959.9168 19993986.0314 61135789.6544 39903586.4662 34316093.1514 33707113.3311 24327542.3055 5215582.2473 23285180.6079 71090441.6176 47726301.5811 32411215.5805 18157626.9647 36318481.0803 21096997.6319 27636162.2102 47898895.4983 46070032.9911 25737328.7480 1093.5796 14263650.3689 15341339.9234 29640494.2370 14956573.7256 3780.9798 43022450.8148 31016568.2057 17186599.9879 3405.9416 1693.5102 31302372.3358 15160369.9420 45170519.7963 973.6320 51855380.7335 16741096.7190 2292.5311 209651756.1054 19809531.4367 23579501.6746 13590081.8151 46505559.5387 16920222.9499 763.9590 22210240.1626 40663438.1864 2976.0636 11749098.9721 51223.2191 3939308.6851 25783152.8627 10852351.3949 15999411.5137 29985902.9689 11954382.4455 27993575.5345 3140.6929 3375.6537 13484596.6118 36252807.3157 2797.2820 2018046.3514 27718714.6041 427.1381 9313895.6362 9228727.0851 80944519.4316 59104304.5750 34004474.4544 18132288.7496 36395367.7924 2069.0822 34025737.2273 29227444.8482 86415671.7629 21622665.4150 24679011.0747 30619046.2322 168510840.1881 7185554.5388 46765371.9531 110309488.0806 12874270.8030 398.1565 115062259.0724 32210673.2850 35548326.0918 17878659.8884 33095472.9481 22964357.6606 13931517.2600 34920546.0005 78998013.7947 33901119.4604 20677465.6001 1261.8852 3393.1638 122608055.8173 48740745.3078 418.8333 2026.5785 39222615.8758 2313.5393 5037808.9086 12043460.9544 115876270.7749 57484174.0070 39172249.0775 94110181.2797 17574211.9553 12990773.6552 29118625.8484 46190555.3944 61696484.4417 15986653.4681 16518048.1595 1134.1736 72176851.1503 14726544.4065 4459109.9548 81417935.7182 20559096.6526 19398427.6744 112004670.1416 3715.0705 45678089.3414 15571112.6589 25289935.2598 30939933.8501 18054827.3562 24806536.8334 116002767.4253 76941816.8242 18466197.1603 364.3833 469.2252 3509.6620 56033218.6627 3610.7201 7528862.6996 25162915.6789 987.8757 34485113.5066 44298834.9136 29246176.5717 38079042.9551 26913228.7524 42705358.0760 39103122.3528 55571041.0225 17939405.4881 19739536.8674 20643373.7791 2072.5119 18444702.3370 309051.7449 15066992.0409 338647.4514 29128521.1900 83354513.5026 3000806.9228 1696.7572 39726960.4158 23100153.7992 25393689.8033 34210286.8469 18892629.6959 29453173.5293 16381118.2571 44364163.0756 17608331.3867 11937342.9438 16393246.0312 36.5175 2191.9987 37576023.4394 14032269.1095 28448932.1032 22539044.8162 9765363.2829 16106720.8171 33017516.9841 43829248.6087 17850298.2855 17643498.1514 13885974.5698 24009604.2016 32527892.1681 13652982.4530 36530929.7164 27849199.6842 70154631.1148 40783738.8161 85299584.4875 20422942.5826 48808882.2681 23732278.4989 26969240.0243 7859175.8033 26488849.4530 75456515.5902 900.2830 49353427.2795 13288172.4886 98474732.5324 37466700.1555 51600256.4173 50910553.4554 18472616.7933 12185652.0198 125352462.3842 54114016.4210 34710812.5363 40217012.8381 31367087.8719 18715581.1019 35783723.3737 54159855.6863 63897294.1644 41905622.2989 217967148.6254 72872467.1463 30664614.9329 15984602.4838 51732665.2277 9474141.3346 3913.0983 26850299.4375 33495417.6780 28170004.0788 13202600.1891 27184228.7556 21158064.0275 34632867.8091 32751618.9782 60104231.9787 36498140.4161 22058502.8355 34820137.2217 32892897.2901 14933240.6110 51501353.6322 819.4064 33474605.8554 25222900.3438 41705246.2301 40458928.7608 22769883.2893 23608744.1258 51573914.2992 41550431.5053 38741102.6544 32109632.6762 29835495.2474 31405188.9208 6964567.6402 15487682.4725 7637788.6216 3490.8063 31692.7465 13960241.3318 25025669.5556 1809230.6733 22392043.8567 20176310.6017 19250026.8461 2342984.1914 1241.2981 29754341.8372 23129451.9020 26107717.5993 65104203.0824 19042718.6257 57267904.8961 7303499.4631 88242186.8717 34183184.6861 25884175.9434 123975313.6442 23426730.5479 45817271.9421 436.7448 12905733.5792 26452567.9415 40218464.7587 1300675.7207 23199077.8756 7678002.1106 2981.7765 11783126.1936 24023657.9109 21357833.9936 20070776.7713 2733.6849 41180165.5425 16459519.7177 23919986.6948 20581055.4423 49419982.6251 12775952.3713 1937901.5656 33515086.4599 4229370.6651 5140354.6277 35543822.6494 35969239.9762 4933915.0926 34579120.2453 67955041.5673 28790628.2981 72541810.4486 38755250.7636 37736563.6739 69078397.7775 19264773.4699 34969565.0960 12126485.9258 1065695.6087 56309760.3403 91715192.0597 63846106.6595 32804554.5666 37210028.7215 15105488.7878 44171709.0360 22014679.9969 71350535.0315 48038115.7515 2499.5716 34233701.0266 34961995.8192 43707227.0066 20367566.0191 44924529.6622 78139350.4221 51696334.2396 50272565.8362 31165065.5905 60101629.6970 43966221.2909 59966452.5658 25970946.2545 68339469.5601 53457012.9323 11055180.8149 56.9303 55968273.2304 27717289.7164 33761614.0410 55080527.7787 25777885.9566 7368200.0792 64599500.2422 35553392.6373 49117477.9331 36291086.4140 11201493.7652 14125050.1915 28869696.9153 35752217.3144 49902474.2330 25869639.2544 2356.0705 17310314.8720 1803.3933 15826447.8690 18327670.6082 696309.0035 31068440.1690 16873633.0634 15333352.2757 14486492.4205 37123985.5488 11618711.7799 32052236.0056 23771267.4541 31989959.4848 17427067.9449 25033537.2803 27260604.2193 34796498.5715 2.7131 35853516.4566 19548045.4801 311.2859 53892965.0975 29828026.2650 9429811.9356 4571064.6814 39619567.5758 84911760.1369 5610627.1687 23317713.4893 52314885.7245 1113.9059 19328780.2832 2949.1000 3757.7378 22550239.4101 4-tert-Amylphenol 886552.2575 855958.0924 700094.2016 409181.1019 863950.4992 1049946.5890 198945.0870 960186.6745 991217.8526 57787.7456 1000730.9291 823622.4604 1754722.1677 867709.2077 8928.0098 861699.1726 32608.6463 836023.6808 8779783.9213 226097.0583 600191.1698 161833.0647 954261.8171 408801.0423 115289.6953 905101.9198 168965.8188 727370.3444 190871.7603 947061.2084 52801.5814 660912.0147 8855820.5089 56410.6235 1460156.6446 904558.7186 1640623.2513 342695.7619 385117.1267 1167509.3979 1549888.8367 1488493.9860 5461213.7955 1112589.7698 2744138.2547 393558.4627 3074751.2501 686337.6920 1081152.0363 1959316.3862 728883.2360 843955.3356 965202.6209 452453.1622 1035106.6828 366506.1701 1262476.7131 3132345.2514 544009.5226 922195.2566 4482.3392 897033.8320 1326356.7646 2223379.7032 45119.2130 11808.8076 879195.8562 8556016.8397 2894677.1872 1087894.9923 768162.2159 519721.4103 912222.9291 705547.4249 531240.1415 1079626.0345 3685248.6183 415362.4425 927884.7703 1015670.0905 1032206.1450 856180.7308 7225045.3293 354758.4010 290168.0526 830797.3825 65274.7121 637501.1192 876689.9448 84710.8475 62444.5791 11969760.3549 126188.0797 905893.4780 37105.9753 4946750.1843 3749837.2207 1044666.1098 829393.5087 2381146.8724 596412.7879 816325.4805 74573.4497 8500797.5834 606873.4074 1984553.6363 3097590.3107 2156473.4227 4080692.8211 423890.0239 373170.0256 121680.6662 143489.5586 897105.9226 656028.2213 638597.3585 1087323.5280 434045.4501 1959547.8542 1053030.1486 934859.1736 365554.1737 580750.8709 857913.6877 834688.5786 2895015.1240 707813.3852 66029.1492 61618.2334 1069061.4741 895464.8943 1033933.9996 2975739.4644 1535870.7456 1427724.3819 1059983.4488 969653.8589 89961.1808 940570.6683 1188661.3649 2719586.6303 690866.0273 1123731.3095 4465130.3688 1052892.1683 331272.1210 159967.0252 677644.6699 1048160.6664 918197.3646 979912.9873 12085443.1130 3694049.0116 126034.8096 51959.8847 827922.3328 909547.3070 79819.4983 4991835.6414 12184.3002 3919710.6864 16223183.0809 4076318.3962 1095674.0520 458741.2592 707052.5468 1008980.6596 926184.3732 1038528.9133 1186802.6823 477100.7410 1058474.8335 977706.8835 937962.0480 1039838.8175 904172.9955 1288086.2531 368058.2852 290692.2592 174269.6311 1287592.9602 2095380.1144 1776201.7191 1284735.3636 3181117.3511 206738.4220 474058.5197 840139.9897 985936.9191 875726.2133 940582.1297 1074372.0204 1611966.9585 1033178.2094 963620.0592 942087.8593 273171.4446 870435.0612 10770.2647 780145.3393 899212.4551 976431.5847 878983.5150 1003961.0937 1906624.6500 949068.9349 30000.5800 929214.8832 214146.5026 3049307.3147 845932.4672 55696.5025 873395.3204 864909.4716 928826.9045 970484.8049 845027.4112 46561.1774 842831.0429 1092249.0995 2922474.8235 892564.6453 587404.1482 316156.6364 1003261.1625 7222062.1859 996270.6586 879814.8633 3443944.1852 509177.6178 1100986.2191 1123345.8992 487096.7321 987944.1725 1018726.8012 542549.6220 1114745.0313 142301.5330 505891.8862 873821.9143 338463.1991 1598254.4812 968781.1867 217147.1811 886425.4064 1657302.9481 1047243.7194 919208.0903 1005086.5045 401456.6431 1135637.7094 779309.2848 977813.6493 5-Methoxysalicylic acid 330336.3609 316423.5692 12447.9338 281952.3968 27284.0155 517971.6902 408193.7175 532142.3563 333874.7505 517366.9644 271105.4562 274138.6945 177308.9873 365243.5071 23001.4442 79911.5233 176004.7889 294352.8632 85955.6358 300557.5083 444162.1865 330035.8290 384213.6296 14286.7871 329687.8565 307779.8408 19063.0291 43027.1815 419376.3804 335162.9838 292512.6916 448282.9819 321865.8671 307555.5672 110670.0084 501324.6789 394226.4672 536252.0650 35437.8238 492292.9860 240597.7278 110369.4712 417000.3138 313522.4620 10859.2474 336504.4501 350891.5083 380491.0233 313414.6338 7549.6631 277422.9739 268791.0192 255887.2823 17031.1762 287607.6816 116300.2329 87719.4041 363141.7898 109892.3555 274455.7724 178745.6839 397162.3595 345719.9966 497478.1130 392136.7646 533506.9016 283193.1404 494463.0887 251284.0142 207697.2852 289832.3880 32735.9253 38124.3608 336032.4709 345817.6498 314623.0379 387083.5928 270104.2241 333496.2316 7542.1985 329131.7724 275880.9385 127825.0949 31634.8358 347631.6013 236226.3031 446233.4466 332448.1153 277521.2720 395041.5496 6768.1298 373698.8140 185875.1745 14932.6744 437585.5888 620097.6095 346608.9539 39463.5758 352603.0412 348548.7799 1403906.9218 298191.3830 419693.8036 548166.0816 256215.1964 394362.7009 362008.3494 394015.1965 274338.6431 397559.0488 139837.5160 322180.6457 274624.0741 289333.3466 300167.7563 6886.4705 397839.1277 166458.7208 143484.1612 263326.2462 253712.5610 61476.0293 398347.6770 80585.2277 306176.9398 289435.4886 352166.9403 435928.3840 658449.7160 100816.0340 407926.3335 700043.4267 296324.4653 536369.5536 239157.5117 345536.7858 304650.2577 398045.2932 251278.9003 315725.3296 5633.0336 267939.6773 344206.6278 352365.9084 281322.9923 1513.4867 400539.9448 185212.5191 83597.4670 694951.0610 54681.5371 78508.9870 403127.9727 4591.7907 350499.8913 169825.7965 334798.6548 342151.6545 375448.9660 1133204.0006 182069.2982 382827.7232 261371.4367 116909.6807 382366.6415 230649.2305 315000.8436 172627.0091 195401.5178 152724.9260 181689.4738 243904.1233 316938.8540 409695.7746 463300.9329 399647.9981 512176.1899 454233.5801 331692.4705 403293.4120 332326.1020 9323.3553 363907.8942 26205.4201 350404.0610 403.6718 379753.9875 430553.6457 110539.7241 293940.0153 72703.1511 87690.2275 462835.0857 42450.7574 202143.8842 208083.8995 385304.5347 21231.3308 324807.0024 400653.5408 327919.6050 10554.3283 289437.5530 420330.2095 17633.8907 245651.2370 170747.1805 396653.9996 486331.2333 130151.2260 462474.4412 349296.7896 366624.7359 351739.8763 344690.1467 209639.6383 257732.2208 353403.2877 498779.1425 59603.9931 212334.6859 348817.9444 45212.6798 308425.7382 399793.0429 141507.4738 407252.4934 338604.0705 196161.7776 467576.8899 28709.7881 218679.6028 358037.1507 347320.9332 263346.2881 318990.4736 305246.9457 25973.9400 333685.7125 319294.5401 44439.7674 252785.3007 171194.3668 61540.2457 376716.5826 116465.3485 40881.3840 21285.0684 493421.3868 11613.7537 281757.4971 381926.2790 15699.8054 380228.1156 212121.1807 203089.6972 264574.3592 440699.4705 379567.7982 361101.3173 260935.8053 366261.6612 359791.8060 42896.5899 277802.9551 336034.1696 366423.2194 405285.6238 155329.3702 53341.6331 397168.3980 323958.6872 673796.9944 381103.4468 413208.5441 63262.5786 366440.4006 237737.5759 309103.3171 226366.0753 24745.6287 4073.2842 225365.4806 378146.6032 387646.0503 274589.8610 362343.5860 375801.6257 241943.5450 366261.3984 158692.3599 427810.5770 334926.5747 306501.9774 102276.1172 333659.9029 136539.8238 235395.2801 377990.7856 53841.1480 363725.2670 341966.1956 399681.4990 18015.5611 960772.8618 363763.4497 322464.2142 569.4120 172492.0313 362897.2688 70531.3140 21033.5199 305183.5664 333796.0857 1560.7167 367928.9227 352740.5404 865781.1864 72508.1657 55116.7802 329150.8823 313709.8964 313671.6877 424086.9533 25395.2197 325055.8477 332450.7313 Acesulfame 71364.4182 63261.8688 1247541.0657 1173816.5434 1513720.0212 1146206.6469 1502132.0454 111105.3404 1452601.2089 824794.3211 97092.3513 1405161.9057 968021.2499 77208.1875 1182805.4885 1167040.3672 81346.2088 702631.1881 1296195.1715 931014.8644 86289.0297 56857.7027 11766585.5604 1421815.7108 736546.9880 63825.8015 902543.3293 870028.8005 77778.4821 63630.9450 1243424.0108 1521551.9374 1149777.5337 1499430.2741 1448626.3370 828534.8893 88490.7434 1397884.4213 1078454.1589 74300.2709 1186437.7596 177790.7590 2065874.9076 933198.0946 92679.0243 82574.3477 57935.1412 1426417.5269 1131111.8098 1166457.7766 69288.1155 68666.8693 1251965.0499 786559.7876 1518038.1167 1142635.7767 1507321.5153 829073.4395 54928.4113 1454601.4437 829752.2141 299623.1600 1399849.4471 1083986.6385 26948.0235 406857.8715 64346.1137 1189882.1524 1309918.0986 81274.2141 833189.5232 927822.2585 70423.9971 523915.8927 57146.1029 9133427.0967 1429081.0904 1138924.5496 1328418.0795 1113473.5150 865790.6674 1114890.1412 65207.2546 1461020.9319 1240197.4067 69066.9378 78879.0889 978713.8247 1531594.5055 1267034.3710 89274.7318 1215413.7346 400765.7464 1494768.4301 97051.1189 569626.7563 1221830.7222 98058.4288 666143.9752 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3170517.3475 6046724.4225 5041170.8894 2969420.2613 3266253.7061 4951564.2453 4329189.3792 5217449.8236 5352555.2993 4616456.5381 4375330.0425 4280836.6608 3337198.7639 5221309.0399 4575254.2058 4535443.4269 3793692.2704 4879788.7779 4961504.7316 4689892.5595 4567103.3428 6563339.4192 4122563.8463 3729617.0701 4634062.1539 4121829.5953 1664042.0446 4007087.3333 5680452.0609 4814539.3977 4365265.3613 3941464.1279 5906001.9613 4118487.1209 4249416.8039 8263943.0488 4988610.6281 3924879.5298 4786385.9378 4387860.2122 4245753.6383 5761282.4533 Asparagine 167755.8934 521382.2240 367652.8535 488191.8594 531467.1014 584719.0903 195490.1587 946030.9219 710027.4960 522894.8723 513842.4930 192898.2118 701048.5964 331281.5643 390551.0765 564850.6388 269960.4055 604499.8587 302520.1087 663126.7772 366613.0410 523834.4101 607747.4076 763822.9293 564245.1151 611782.3215 481551.6637 428881.3271 454548.6484 527595.9471 404693.2806 621114.5811 725541.6478 538328.5786 828249.8960 494578.4984 887300.8317 695128.4017 720446.3651 761906.8291 677320.9226 341093.8754 650841.7575 671607.5304 534723.6941 508578.0748 277467.2435 865473.8921 495211.9101 651226.5723 851104.7494 300494.8128 412870.9423 499062.4355 587512.3511 351477.3824 942924.9340 468516.9540 530752.0939 346190.3916 597112.1217 606971.1917 738302.0203 511538.3686 377428.9066 372514.4624 608966.6668 271077.9880 596813.7666 743354.5112 446877.2017 832675.0286 629798.9623 861607.7124 737170.3082 866654.7315 467415.6013 585609.7496 474151.5648 573653.7152 750521.6446 810363.0376 419453.3709 771602.5893 683831.8958 711250.3597 761232.5939 1016820.4517 650130.4307 480843.0582 605934.9616 616549.9119 505310.9964 670750.7311 650113.5188 803905.1014 593857.5045 611237.8858 512220.9442 791612.2845 562509.3328 861408.7296 676155.8850 460798.3782 543864.0541 640301.1947 486902.4910 613807.0312 552107.4461 548683.3712 662717.3896 1008658.5245 973119.7062 631706.1623 614823.4895 155103.7615 830578.4799 393752.6161 254366.3455 449125.1263 496489.2840 408009.9974 945931.4103 493149.4660 673841.4578 194781.4793 183260.4954 521499.8476 477621.1339 635695.2618 2334971.7836 554607.5082 566948.7951 654733.9156 642773.4450 259178.8229 435651.4290 700784.1694 652598.5631 551429.1975 882326.0120 576933.9421 486073.4610 487856.6696 494206.2003 335476.6048 964561.5845 775950.6503 433570.0548 510138.8391 414493.9014 328489.2920 194520.2147 548264.6960 264304.3868 963699.5248 454133.9948 282924.0916 293080.1699 434011.1625 168152.2208 784000.2434 788394.5204 337728.8597 1404901.4244 142110.2639 563465.2252 886923.0509 741691.6752 1533051.2078 502790.8081 408440.7505 791432.4768 630437.7322 585269.5103 473532.2672 704307.1760 504460.5551 517423.5604 564643.9251 665513.4673 539050.6489 618384.9777 755364.2204 297351.7645 348357.0791 529936.0785 782669.4096 631559.6758 113920.2504 415504.7844 403752.8078 556077.7586 506085.5397 492461.1777 579191.8277 381291.8526 593979.6465 821947.8655 905095.0829 538260.9899 741390.1936 660941.4701 802498.4253 583803.4342 489707.5010 351741.7083 694231.5181 633326.6309 671395.8420 878516.6418 761289.3460 710726.0126 540731.8853 460773.1422 713340.1144 694851.6733 874218.2446 648705.9286 864363.9933 526164.2365 699258.1284 764823.8772 826281.5549 664878.6512 613784.8549 709573.7474 753529.8692 398519.6325 573440.7466 601871.4528 534768.0022 393853.8087 525197.2571 628651.9989 83127.4624 514545.6230 609515.0471 528479.6200 532030.4888 805329.0486 378482.0981 817684.4822 603867.2985 797091.1818 613018.8752 362596.9251 746265.4512 545024.1546 788539.9392 735770.3128 537035.9412 608989.7843 970106.4161 335169.4475 623336.0407 713169.2331 415012.7194 353960.5005 1241404.0556 632872.1633 523608.7222 233521.2295 759236.4350 464008.7603 76371.1654 630616.3655 770700.8422 505387.5069 436839.7973 630554.1078 448727.3958 338919.9057 767840.2810 928995.5097 1060707.9161 744126.4906 663305.0168 540354.5362 581490.2338 368570.1069 55054.1654 440321.3243 478942.1071 683345.4994 625857.9925 556384.6954 377100.7634 1764390.5149 349506.4436 601515.3472 507957.4324 698385.3810 998775.5659 1022400.6417 753508.0720 342308.0706 599708.9114 666193.6344 695407.2987 767510.8680 781790.4740 968308.6901 724225.5046 121710.4452 661897.3653 866510.1068 626174.5693 571718.6625 750480.5902 748426.5715 481445.4164 612302.9190 270444.8434 465619.4007 636774.9163 731358.7591 633086.1668 833745.0758 752615.9978 824553.8112 474244.9415 802062.6221 739711.8925 921427.0296 605885.1416 603707.9450 1013862.2020 831733.7699 695689.7012 850063.6806 630373.3219 324792.3616 522457.1312 1142488.5420 642606.8004 767226.8025 553882.1202 674675.4622 645871.1900 606871.9695 687407.8361 829003.0788 354320.6282 651798.0230 847815.8898 596604.7701 422242.4711 791120.1470 235578.8975 508523.6498 381518.7684 585594.8654 641810.1861 812875.6021 629331.0168 562352.4216 422600.6724 468811.6693 488719.1847 264921.0144 735089.0497 555764.6343 483351.5428 2044594.7367 658334.0585 611434.0418 465175.7440 1178327.5189 727885.3619 559874.4799 565517.2984 327334.0315 369592.8699 357623.6706 596816.2140 743571.1932 996706.8872 717112.1947 729793.1857 537224.9865 650579.4681 595070.9726 785645.4932 527571.9715 796058.8799 235912.9033 940459.2501 663041.8849 2359917.6870 877002.3782 804401.6986 649888.8687 624614.6814 794973.9894 408057.8135 590702.1335 631630.3671 889652.6312 941985.6743 664246.5154 367276.5656 489797.8130 573699.5491 669916.4668 524572.1408 939029.5471 186873.2414 473338.1567 592719.7342 670735.7346 659757.5741 340977.2733 380323.3910 915202.3752 706127.0896 622998.8853 697536.8886 912743.3804 590095.6890 489125.3608 647304.9703 655458.3007 581644.2892 606475.9989 774131.8620 334633.9610 556540.7459 585164.9522 599664.4525 762480.6287 736615.8608 582423.6959 599849.3176 500390.1347 728224.2364 438606.9642 661202.4615 758579.6697 691644.2536 651083.8512 734981.9407 563292.9515 521357.7204 303098.2108 742665.2846 633917.3462 704269.1501 864022.9825 800618.6726 632516.1394 743877.6369 582445.0096 617484.4226 632012.8330 Aspartic acid 298657.0492 321057.4707 224185.2325 379459.4542 416955.1779 150352.6318 571316.4048 264706.2538 472844.2244 432113.6676 256020.2440 306974.7353 534587.0270 165320.5894 278615.1424 280778.6763 295456.2837 216520.9460 475196.7975 447584.5167 152091.5681 326081.9272 403998.7012 451844.7557 350902.1940 205792.9928 77421.3385 553560.1164 216056.6998 377477.0675 190250.4028 377763.8542 648796.6851 408067.4918 252947.9661 226873.9089 487004.1087 287319.9825 555675.7390 207226.3706 309988.1314 102953.7115 311554.0529 112270.3351 326810.7199 174536.2787 359944.3945 297258.2443 418526.0514 414053.5561 284016.5118 277839.5680 158016.1903 660919.8570 297834.9288 275598.8357 202116.9245 484441.1831 308565.7172 1285.5039 322799.2795 220913.2378 370643.6452 320447.3319 625381.9451 232630.6888 338354.0831 275648.3772 242961.7608 453469.7827 354224.6742 279271.5761 157433.3846 211285.3347 202026.3127 338885.8422 170247.4943 364340.2158 148410.6348 447136.9131 643979.9184 330083.6138 569456.3997 437213.8064 646632.1569 284171.9649 667147.5577 454994.3972 388297.1759 240724.3703 251900.2984 324798.8492 306427.5142 160210.1166 451164.9253 611384.3363 205627.3877 383630.4649 383002.2189 232806.6056 320132.7483 578649.4970 314711.4596 379730.2243 222675.1900 340881.4880 377340.7350 489590.7750 364241.5333 339323.5290 524854.3018 552277.5706 344874.6458 331777.6647 547042.6345 217641.1771 254055.8702 337897.1499 315464.9523 684167.5496 347952.8498 1067272.4946 271822.8867 189625.7986 185314.5455 660895.9098 66991.9093 578133.0151 45199.7841 468333.1004 252446.2810 410142.7408 275146.7322 380241.8531 522160.9540 281093.8073 145716.2481 456147.5717 504566.6398 297773.3148 995873.3108 209406.7578 302918.2222 371923.3514 278132.5862 514964.2204 1098893.4868 344053.3738 246654.3331 319231.8315 384207.1357 303123.7679 739391.5250 115394.2456 292155.9843 304934.5244 408438.3594 243362.0498 159055.4874 322900.1236 480834.3828 216304.7575 348239.3308 22703.7814 49789.5681 783.2950 207562.5520 187377.1999 424669.9566 130226.8417 315758.6140 135402.5495 328565.7076 185433.4131 314222.2682 113266.8059 390590.6196 336920.1150 484170.4237 354719.2242 181225.5432 291981.3161 772254.0005 151367.1523 220731.5430 199147.4755 298623.1542 389830.4268 428261.7194 135104.9649 165018.4735 316598.1661 293995.9567 620173.2149 561154.8859 391785.7864 403300.4075 388111.9136 696853.5599 646807.0397 258714.4859 229944.5980 337564.4872 483552.7457 183421.5334 313836.4724 455905.7403 304720.8663 196874.6489 466665.1185 359422.1502 296268.5252 384795.2921 428908.3393 156906.2460 378529.8266 1088046.3142 442406.4019 330186.7291 454548.5487 301752.2233 399972.0304 289675.7536 503064.1396 469317.7962 330880.5553 565050.3603 333662.4298 259963.1430 271573.4409 449137.7927 433468.7667 283654.9980 466477.8936 245597.0389 435919.3073 397132.6056 279946.1799 278033.1804 430952.5076 654878.9126 350491.0118 134277.3539 623397.7354 851176.8778 181721.2885 265510.8594 425181.1485 297849.5620 242843.0306 395860.1103 402217.7360 492991.7441 283550.5166 755471.8146 277524.0113 496602.3049 517983.5277 189760.0241 283766.7310 357573.6655 435303.5220 403217.9040 525968.4647 436866.4457 271135.2538 451253.1594 271416.6236 357053.0848 188242.8653 266361.8500 151478.6489 292600.9365 529972.7841 243011.5457 320815.3630 580365.4969 347489.6305 362633.4577 202302.4819 169672.8008 283727.2874 347909.6110 245842.4563 315686.1341 440051.4117 400248.1126 202977.4635 253364.8284 253097.3371 320733.8750 310750.1407 801310.4043 324236.8627 128447.6448 144749.7435 343836.5990 95464.1794 222007.7157 213976.0609 417548.6467 206797.2131 412023.9345 230631.2350 196144.0628 714530.0091 194740.4003 347049.2854 131219.7550 380013.5308 369750.9574 244346.5503 287320.7321 241301.0716 342744.8221 532502.3473 480539.4068 368143.1970 830643.5237 509930.3380 648768.3820 262964.1025 723289.8211 319127.4154 665765.2388 400444.3365 299604.3438 550918.2824 457374.3699 383510.0788 1133939.8024 560537.1988 354156.3310 363748.0452 822649.1241 457882.6655 213068.0786 197629.5112 428756.7753 332516.4047 524290.9021 714679.0092 791891.1375 521385.4172 468249.0599 400557.7098 409094.8046 228374.1086 607712.5104 532194.5590 307305.7211 236212.4082 401695.7469 463742.8344 448925.2283 72465.4781 372503.5820 136427.7003 282846.1092 175145.0385 77083.0700 728782.9573 302257.1500 369049.4364 403805.7609 180155.6262 259249.3978 312980.1307 1545493.0557 276256.3559 340419.8735 337555.3926 545116.6810 392373.5576 122253.8581 318957.5858 280566.7104 1150102.8522 412940.6769 647848.0220 232661.7991 684009.6197 417091.2784 392881.2750 271705.8113 253397.8270 28156.0322 690628.6353 280570.9233 410864.9554 151688.9521 302376.7974 78615.5751 308575.3678 355187.9977 434179.0728 302674.0299 330369.0272 321973.5550 254176.5747 425171.9581 283266.2950 264001.3851 539887.6330 403108.9091 381694.8509 95335.0440 62420.4731 337664.0004 436663.5025 491234.6747 285969.7568 519551.2717 153275.5779 265222.9985 447991.7640 202685.0369 384501.5509 463784.6128 477048.6027 693365.3440 479381.9862 483866.8032 498818.2774 391085.9135 368583.8857 389212.5875 343031.3811 224828.8317 338346.2000 175930.4078 479278.0038 330381.3389 427835.9625 485841.3580 367553.5763 250300.7668 144088.9423 456950.6394 609075.4152 481160.1949 431584.4613 405044.6520 758984.3427 250023.1225 562248.5449 329561.5148 596919.3507 299747.2031 569968.8017 388897.3202 725886.8180 449363.7301 378929.3727 391034.9490 Beta-alanine 2829503.4680 1026113.2288 976648.4035 1091354.4291 1901685.3762 1675529.6476 4066571.2308 3269497.5057 420553.2016 1806206.4009 2111428.4542 809345.1616 1343305.4559 1700322.3404 800457.8190 1768065.9666 2043726.3167 897973.2349 2198202.4006 3554088.8066 4552973.2253 2241763.8976 3629104.1996 2101867.6978 1602977.5403 3809718.2377 248606.3709 1797502.0923 1970566.6706 1710817.4211 385942.6421 929559.8779 1439114.5776 1598093.5949 1227634.8368 979820.0361 528068.3570 500289.0760 1728828.7989 4385707.3948 418291.4831 2402181.0842 1095578.1953 1902020.4850 1160866.1264 2018249.1102 1704007.5398 2478470.1445 520000.3525 1728172.4914 2678330.9541 796196.4421 2895348.7350 1273653.2367 1605944.7217 2915420.9467 716768.2347 2832692.7917 2239205.2253 1575791.5669 2317726.4881 1945370.4761 2430435.9485 1437144.7443 1943207.5677 4753643.0208 3100009.5860 411789.3169 1080152.4956 1004947.5114 1670473.7013 859907.8154 2445704.8576 894459.4155 1811455.2050 1142732.9704 1456661.9020 1046099.7624 549703.9879 1059587.5951 878962.7298 259911.2746 810451.5580 1202191.5095 327123.8052 1005844.1562 1205006.4023 834432.3412 1268602.9022 672223.0983 991186.5570 1302431.9632 993489.8929 788947.0084 2471412.8923 672766.8606 925294.3066 1282213.9235 1252697.8578 2739473.6094 1211368.0808 688394.4485 444132.6430 686328.8290 609526.0658 1710088.1738 447168.7008 507613.0781 518625.6771 1498064.4691 1084383.2465 747726.4020 505693.3717 730355.4648 5189105.3477 619006.5060 2052417.9026 898315.3939 2022837.4918 2304534.5048 1146637.5029 506720.5516 4456285.9279 4779791.1113 3649979.1626 2835417.9740 1882431.8094 914923.5947 368009.9888 1068895.0094 513050.8039 1231529.3328 1076671.0567 2135666.6009 4496431.5819 3984670.6163 5668092.3346 1403215.5298 3655656.0731 4218023.1878 5177265.6614 1943667.6263 1176389.6953 1702277.6367 721459.0544 750994.4384 940149.6637 1625245.6916 14156038.4264 1250733.6202 410154.6565 2132009.8110 5745323.2201 7178833.9163 549456.4149 2468100.7034 781339.2203 959372.2544 1412418.2182 1227752.6829 681602.2907 4312684.6695 1340070.8956 3080497.9518 7218259.4752 1323017.3191 627268.6633 283146.2605 1113228.1879 423201.4571 1228233.4085 2606510.1423 1407928.0416 3557879.2497 1217198.2959 3922870.3804 1447855.9100 588544.1026 3739037.1349 2601632.6206 1206611.4546 1799835.5738 575319.5437 630322.0756 985270.0418 1301286.0602 6084240.7307 1531773.2901 533636.8807 907461.4537 714011.6766 638624.6443 723102.5670 926219.4953 655775.1239 627396.5388 871037.7350 1091894.3773 394274.1716 1114152.7269 787274.9284 1703168.7916 594191.4479 1376320.3133 350990.6550 811609.3880 1008051.5599 236011.7915 1250160.2923 951308.6915 1421831.2170 1942458.2307 478410.4560 3013267.7039 1261010.3556 668293.7569 1078423.9574 590047.7588 751263.7132 1124653.4682 2140577.0322 412184.8714 968611.5123 986312.9901 1236522.0483 1554106.8658 1273306.3178 582630.9185 658608.4626 347642.4682 1614419.9196 873444.0616 1451230.1815 841398.0540 2481520.2336 1249389.1282 1435478.1314 4910326.3681 1314797.0251 1777665.2129 1339666.1992 449513.9741 4018519.3244 1042132.1503 607513.4070 1009551.4262 1973218.9068 1196028.4491 5516006.5245 932368.6923 2207137.7175 2412358.7914 1340281.1877 2978262.9574 594883.3932 1878235.3597 4813301.8979 1417322.6643 1179966.9758 2106603.8397 3225511.5062 1778514.5131 5406860.7451 2773680.5789 649496.9644 2949663.4232 3146324.8978 2465377.6350 7202892.8508 1063910.6070 698559.1443 861973.3550 1756536.1823 3585635.3551 881861.1177 3850949.0612 1769665.9303 788909.2187 1695520.4491 322613.3257 2997955.2418 1248382.6831 2740638.4820 2791233.0997 1439205.8428 853088.3219 2536336.2080 392655.0813 2395411.3095 1306543.3354 2335172.9309 2676787.7188 643239.8340 1878094.4389 637384.5279 2179829.2243 1195077.4291 419991.1743 727507.0133 3478737.5335 2066692.4660 1692900.3736 3360343.7307 955407.8168 5986929.3957 1096810.2929 1938629.0078 3708916.7850 1559702.9531 609682.6576 483552.9418 242644.6340 1368000.1572 1233776.5295 940523.4781 1564674.6696 1330678.9481 580360.0009 1639749.1714 507220.3210 587946.2444 569349.5076 452841.0544 652236.5317 1402285.8376 1196950.6243 1553892.8611 559234.0636 2165270.1040 601912.0184 406609.9989 1319819.4725 470017.2645 1450246.7792 528904.4282 590653.0647 532309.1703 412280.8702 728148.8259 919041.8172 807012.0290 1067638.0090 569426.2627 769601.0853 1033717.2320 1397078.5654 1341216.2441 2011325.4241 3997597.0150 2725613.0809 3125261.5541 1415390.8017 1874433.2169 3398174.5026 2205493.8429 1331789.0738 1183473.1602 1304448.6332 1433737.6552 470773.3057 1547975.5749 1513654.5696 2787396.0071 7400531.6902 1285544.4010 1542959.2376 1092652.4878 1075019.4641 2506766.1133 1187024.7175 2108452.5470 294917.6437 2517600.3291 2712591.6799 2282638.0461 1399174.5822 3300446.8535 1667199.2012 1235188.7956 3908081.3019 1643246.1482 2304646.6672 890644.8264 1085727.6635 2117508.9956 468509.5054 1430972.7598 1464910.6653 5996051.8064 1452509.2825 1505223.3094 1286388.1038 1234282.7211 2122424.3272 2773253.9941 2196616.8783 1070179.9016 1672988.5635 952035.2030 1740028.8271 3421956.7126 2554890.9104 2997374.8566 1310068.9520 2668416.9314 3275394.2974 603438.3847 3166357.0482 1172497.3534 1406772.7080 2627264.3700 509038.1917 906000.2134 3216198.8655 1879604.8078 1903433.1651 3920293.1365 1403016.9365 1312310.6997 1165562.7873 1253451.6430 954732.3747 1163100.3524 1567530.1226 1159428.1247 743157.1891 1260281.9531 862046.4681 1050507.3408 433645.2009 1188018.9609 1351851.6729 1938979.0934 2026458.6006 699254.5659 882308.8499 771504.5780 1092191.5315 661892.1017 1063765.6654 1171126.9213 1344652.3117 329187.2491 606872.2859 1835263.0418 1745767.4926 1015325.8389 2179499.5759 1242687.9030 522316.7527 1147623.2141 571593.2976 1160702.0154 776677.5548 camalexin 51980.4845 39619.6860 43036.3210 52190.0654 27283.1622 26726.9521 26625.2947 63094.1176 50911.2643 40465.5248 24053.8748 43522.9792 48094.4671 33099.6288 19840.3570 46013.4177 41967.4921 36485.0106 31738.9216 139850.9406 44421.1945 45447.8407 64826.5826 55802.3874 41269.8877 78702.4873 20602.7345 48985.0051 29282.8346 39681.2067 41088.2933 47999.7359 74933.0055 43877.5283 63022.0056 43628.0061 49282.6917 46445.3103 60213.9472 91250.5565 54136.1590 32111.8271 42809.6510 62258.9508 38593.4692 24500.1601 34210.3376 50449.1856 36041.7706 44442.7689 93307.6271 46849.5011 24575.0847 30565.6738 43243.2121 26848.1573 57387.5526 45592.2994 64729.4305 48481.0138 43184.4553 38154.2349 95794.0997 41325.1358 31903.9116 38975.6734 49370.0027 54862.0209 43311.2494 113290.1716 37535.0923 84735.9183 71137.5762 58467.0691 36991.3239 67876.5724 34634.1200 46031.1567 43435.9520 46428.5098 53819.4645 55860.9350 36941.1744 54715.0289 49347.9469 54082.6786 91030.4455 74290.0584 45122.3132 27757.0257 52499.9005 47286.7314 40839.7523 110144.4596 50046.1455 67861.5027 86653.9912 46871.4791 35955.3372 75973.6735 56368.8401 65517.2697 52630.8435 46166.5188 18384.4726 42325.1427 28709.6780 62305.1800 61329.0178 46443.2154 40444.9105 80870.6180 65483.2567 36186.0184 35963.3549 50818.2028 61004.3936 21336.9110 28805.0586 28116.7160 37936.0346 21715.3371 114361.6461 39726.5184 60155.4212 29891.7003 33719.7138 34326.9030 71742.6960 41041.0798 204713.0585 38406.2961 56484.6790 72462.3996 68379.4809 37584.0459 19041.9472 52734.0000 37931.4164 35404.1857 99324.6068 35160.0295 48823.0693 39756.5249 27022.0409 36066.3697 151063.8859 55090.8544 28962.7781 37169.3006 42923.8395 18794.1931 17554.3747 33192.8221 26756.6474 69426.5285 23073.0357 46059.9279 29411.2758 50534.8391 35625.4199 106367.3153 50319.3401 29487.9485 207255.0280 41094.9470 26121.9272 127190.2431 46137.4716 107694.4323 39052.3770 40057.7563 63772.7008 35854.1730 43452.0112 24068.7692 52113.1093 37829.0390 22877.1686 74300.3067 6715.1272 43679.0617 42455.6012 42861.8973 36986.4514 54235.7692 45197.5246 70543.3606 49647.4492 31304.7581 21427.5782 20397.7288 45227.5151 55363.8550 34945.1779 42973.5645 65980.9762 42822.2888 54295.9589 140989.0347 62686.5101 54013.8422 37226.9607 72200.7819 36458.4422 59702.5239 24576.2400 52254.4717 36966.3385 47087.5558 102841.7020 71815.3994 43133.9375 37882.3299 29400.9442 49347.3221 70343.7431 39156.3281 56896.9091 60862.0081 50957.3190 46780.9671 63806.0466 93907.6117 66348.5831 45862.4191 47761.3630 49304.4778 39275.2873 48886.3787 31738.9850 43691.5885 34158.7098 38665.4409 44990.8574 34422.1357 42982.4135 37582.2833 37704.6447 43583.9170 73026.4897 52851.0708 66785.1633 43090.6934 53894.6855 43560.8807 44281.7591 48057.0997 40635.5055 89540.3259 74431.3680 38767.6532 71231.7712 62283.1113 36784.5497 51452.5697 44764.2593 45953.0553 31121.8225 97981.9287 55745.9259 47236.1812 69267.7571 81189.1504 23915.0378 42375.4210 27135.1473 68124.9796 40818.7663 27814.0124 60264.5916 29517.0242 35329.9172 51263.5980 66583.4708 134707.6263 81009.8059 45162.1599 52364.4627 61913.9653 32939.1968 34563.7179 47308.2709 24779.4396 46543.7553 48636.8653 35129.7301 29596.3600 147087.4662 30697.0098 43936.9823 38232.1538 59705.4033 80918.2260 57025.3305 56537.3293 19167.7999 44079.3100 25884.0636 44126.0084 82521.1704 45155.8431 68185.4038 34078.5402 39796.8157 67569.7895 58961.7720 44795.6138 25723.6238 50039.3393 75608.5390 27092.9751 34990.4484 41232.6147 48442.0377 32343.7529 50051.2664 44807.2380 61841.9248 91836.8264 69392.7256 58023.8195 62702.2902 61803.7811 69071.5983 43465.2547 40615.5355 79169.3139 47842.3774 47975.4863 75785.3231 55226.5386 35052.3002 47458.1380 108103.8730 34579.8809 53978.9076 51471.1470 52685.0891 52179.7998 60967.2273 51271.5764 44380.7194 93772.9917 32943.7010 75949.1841 44664.6414 29983.8820 52727.2624 25675.8045 39190.8461 26535.0689 46415.3706 44686.9989 60362.8377 39157.2014 53509.6052 20952.4447 39165.8283 37015.5417 37736.7363 42458.6827 41256.8033 39675.9464 260827.1214 77836.6135 43383.9016 44930.6906 101784.9998 78446.2900 41685.2817 42959.8653 19555.8487 35254.7284 74789.9240 44784.5738 50636.3549 93077.3927 54759.0815 49863.3196 38414.9726 51844.9230 43670.8718 95940.0313 39054.0315 56197.8981 34746.0862 54596.1377 41713.2776 218365.7084 71340.4786 55769.3255 52219.3107 40333.3690 50206.6108 58438.9765 41811.5401 44866.5584 47922.4855 118276.3721 50521.7164 45180.3059 38112.3204 36297.4253 47032.4930 43877.8716 72669.9366 36121.0230 41950.3445 44347.1910 57130.2571 61172.0072 25108.8056 42736.1242 99409.4853 51659.1378 41144.8059 59319.6505 53202.2970 42814.0070 38696.8463 47303.9700 61105.6637 39633.3857 45111.7957 44515.3009 37767.0158 45204.2633 54333.5272 48586.2161 67157.4052 42734.7174 40652.8830 46471.3010 37853.3085 83670.5023 21644.5990 43243.2927 49574.0823 65477.3197 55488.6445 49498.2927 42808.5424 62761.6259 36235.9408 62720.2109 49047.1350 53943.4510 70732.8493 56520.3962 36380.6478 85204.3702 42179.6425 40414.6958 30909.2744 cis-Aconitic acid 13234.7011 22330.9947 20372.8098 16433.6651 21339.0642 22440.7347 7274.0556 29836.9960 23324.2724 36777.6259 5723.9952 19137.9802 18841.5650 24822.9930 36031.1732 333298.3808 27246.6512 22330.7840 24290.9728 23285.0062 17920.9318 21933.7690 20790.7709 22657.5394 22071.0616 33995.5997 23003.2502 3897.4548 16507.8987 19277.2432 10160.5663 20639.6620 28947.2835 17172.2568 12715.1895 20503.4801 27428.1761 20144.5106 21890.0595 115429.8460 26679.4985 14134.6218 19418.1285 60055.1934 21304.7793 25980.9552 8801.2350 30464.1973 22024.5900 49303.6100 9939.8903 19623.9794 25220.8269 42219.1933 189776.9712 24431.2279 25547.6806 55622.8671 40693.7037 22102.7398 18575.5810 20733.1730 23823.7144 19831.1869 3371.6984 34880.3394 19203.3840 10059.8003 26799.3527 22850.4369 17135.3272 7553.7483 28431.0184 25921.7597 26709.2435 35467.5306 13858.8518 17393.8343 131425.1963 16359.8060 22894.6275 33224.1232 8510.1075 62038.4620 25001.4958 122332.6955 9034.5494 35825.5838 18732.8845 25847.2248 135655.1989 235856.8153 27256.1224 46337.7295 339410.0442 103485.7680 26916.1004 23979.9339 26244.9528 36503.5819 19905.0461 58166.1845 22615.7514 5177.6954 20039.4359 19240.3136 12174.1629 38154.9843 175751.4880 24154.7753 16867.4248 43646.6573 26784.7304 24489.9970 22707.7505 14957.9901 28347.9373 14806.6976 7020.8855 20776.6888 17024.5385 12104.9172 24312.6576 30475.7275 42510.2863 13228.8937 19614.6081 23859.3422 451534.1945 17283.0456 20510.8946 17541.5527 83410.7409 37965.1189 26972.3156 68597.9400 26996.5672 20939.0745 53688.9498 58419.7812 19103.8529 26051.4064 61967.5586 49607.2401 22887.4013 17587.3217 23951.7239 24895.8799 39307.3490 16470.5947 14531.0700 16938.3641 56648.7583 26403.7522 14009.9327 45008.1142 15290.3856 8717.8608 42424.4877 17061.4681 19464.2422 23742.7516 42159.4113 53639.5642 97745.0288 21051.0654 61024.6344 214148.5200 44364.7829 25900.1153 19009.8885 23086.7891 25015.1869 26447.3300 65230.4004 23603.8408 20865.2153 32841.3343 55044.6019 25285.5474 40280.8387 363161.8906 65671.8249 21964.5720 22116.4598 28579.5820 21345.2999 26786.5692 22401.8489 20963.4164 22398.6963 33979.3674 22645.5375 22265.4962 22010.3541 16177.8629 8866.6644 31976.5843 20827.7591 17402.9055 33413.6866 43200.6235 117037.9174 24500.5795 18338.0503 41191.1455 14170.7764 45693.4936 18441.1297 19363.1989 218135.1112 188532.9280 28437.8173 47441.0116 32944.5915 20902.1449 31356.5900 28059.7277 22926.9969 29386.1834 473179.0099 586509.7019 24557.7766 91095.0765 53943.7616 79379.2499 16175.3839 19237.6133 17390.0785 14697.1460 22650.1071 24257.2150 20901.0749 11452.4198 23267.6677 18594.2082 20643.6378 18201.9702 95415.1588 21757.1230 25604.1712 13691.7055 11441.2087 12726.9597 23447.2108 23944.3120 52281.1917 20422.0603 19535.7502 62457.2239 12552.6705 18095.4964 15624.4949 21404.4091 13781.5896 36863.0250 25130.9544 20048.9154 5312.3380 44181.3792 46120.2890 17321.5598 14765.9889 23519.8787 25179.2279 19496.5925 24302.4740 30187.8129 22971.9978 48823.6593 34513.0523 23887.5674 75576.5167 23362.4537 105420.3575 25294.7275 28389.9556 94341.0871 29300.0149 16267.9719 23392.0937 18484.8305 20606.7082 15400.5122 34330.2832 20015.8348 28207.1234 23090.8415 11732.1224 19487.3087 21760.5718 18058.5669 15381.9344 23971.9576 15477.3578 34939.7345 29806.2588 12772.3336 28095.3489 27852.1171 17304.0253 16146.1835 72680.1042 25014.6108 24940.2367 27446.6112 68891.6756 27043.9112 68096.6622 210956.7552 53821.0959 14815.4406 28202.8071 20111.9228 20680.5674 20205.4857 29804.7640 27070.3083 42892.4279 148741.6788 9707.6647 9102.1949 26834.2616 23481.4938 264144.3467 20348.2011 21237.6688 110760.2758 15621.9935 83136.0118 18973.1032 23450.8101 14565.7880 28274.1598 25594.3468 25941.6405 23449.7913 24905.1382 21260.7910 17228.7749 15717.0187 72876.4338 25898.9775 19192.3801 115221.5908 151531.1821 22565.9637 115554.2638 19055.6656 23868.6114 18706.8756 15061.1080 30858.6399 21123.7224 12769.7162 53274.7124 25309.3373 20755.1732 18169.3556 26399.0123 18607.5874 21068.7516 47485.0643 18354.0035 20564.2031 23552.8001 22306.7509 27953.1135 12037.7277 32190.3417 20966.1052 20569.7786 12936.2687 37765.0371 11033.9332 41122.5754 27954.2916 16064.7057 19351.1023 22477.3305 15762.9317 24325.7663 18871.0177 12970.5092 18243.2148 23199.5151 20435.6118 18944.8769 39235.3980 23435.0868 24677.2165 23562.5658 20727.4633 18723.2994 20532.8490 10216.8689 76561.9787 23649.5612 18834.0881 15644.1630 19092.5952 27092.8704 16876.8202 15022.8657 24517.9913 21160.6520 3788.4295 38021.3012 18280.1444 24340.6831 9187.9749 21511.7309 13196.6777 31841.2517 13883.5339 21622.7090 22256.3911 34393.1215 25505.8060 19129.5248 24330.9180 16913.7497 14944.5131 20705.8199 49742.8488 3042.8749 52172.6258 26310.6430 18670.0260 23687.8912 37510.1913 25217.7405 321874.5573 21686.9186 16718.8349 29665.7001 28448.8029 23864.7623 16802.9610 12643.4829 39953.2914 352196.7471 29171.8750 35632.6627 28830.6367 9258.7252 490455.0347 20287.0994 19497.0760 19388.0319 33933.6322 20416.5435 24481.2128 21118.7750 13132.1316 Citric acid 2612730.4417 3895794.8627 2129303.1219 3800132.9872 3507332.4837 3963034.4533 1731345.5315 3925203.2214 3979956.4004 3743306.4016 1913494.0703 2131730.3102 3589093.7603 3902633.7524 3538949.8087 4625801.4946 6228321.4198 3458025.3462 1165588.8917 3699568.8511 3176411.6536 3471806.4752 4125896.1604 3645592.8074 4845069.7424 6669898.0002 4331108.3959 1403224.7115 2974722.6733 3597848.8870 2150102.1583 2145064.0051 4919065.9814 3507325.6777 2220878.0646 2098599.9065 5684547.3061 3333516.5585 3315066.7231 10234120.7249 4601396.4838 4505616.4404 5021383.6277 2642070.3549 4084112.2499 3917557.5818 2087356.6407 3877807.7940 3432361.5162 3560646.3277 3203678.3490 2320800.4825 4581853.5999 3793401.8472 4576061.5832 4368778.5194 4029359.8411 1621260.0122 3166114.8924 9731513.8065 3323032.3094 4819504.4843 4854361.5419 5156600.0520 2153536.3207 4937375.7195 7280964.1694 2010608.4747 2541569.3448 7585831.5820 3143734.1965 2280174.1399 3127408.3121 5363397.0342 4621753.4294 4843662.4126 2835350.2848 4366460.9718 4685993.9579 4870611.1163 4445572.8997 5304504.8101 2251960.4749 4311064.3472 3411103.3621 3772650.2553 2317464.4575 2528152.3794 3498144.1675 9358632.0327 4196755.4014 4728907.7242 6352497.7870 22123877.1586 2172801.2533 3632474.5298 13225080.1344 5811496.8831 5419751.5838 5036689.6941 7703136.0585 7902418.7915 5016033.0653 1751863.9875 5587261.1601 5713433.4762 2239011.6884 3330088.4527 5128423.2947 4072107.4181 2720089.6480 3612998.2518 5536847.8923 6872217.7277 3236942.0906 2117226.3660 26071919.1235 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513776.3844 1884537.8913 1003417.9155 275140.8671 415101.7954 3104570.3376 1693415.2234 1554087.0820 2847225.4547 718362.5565 4933975.7693 886875.2144 1681960.7751 2977096.8842 1314391.5774 358946.5690 347189.8717 43803.8311 1089681.8012 956171.5220 771953.5199 1295664.3780 1044795.2423 385947.4282 1290460.5169 423469.1901 420730.9980 406139.5113 242344.1242 504568.9854 1126948.2200 913125.7569 1376424.3430 459001.2097 1964681.3557 437369.5207 236996.0109 1071976.0376 297822.7585 1117070.0346 394883.0238 477232.1910 332960.0283 228545.9628 527819.9035 814256.0921 672840.7043 740810.0415 344300.6582 565414.2465 833215.8645 1148540.2530 1103407.1641 1788411.4508 3703167.0940 2517217.6921 2439938.3870 1177500.7421 1613162.3640 2570290.7960 1762060.3824 1030198.6166 945602.6122 1040596.9903 1226600.9435 299952.8883 1302649.6426 1254418.3513 2534220.4518 5710314.7831 986446.0188 1307852.8422 882610.8649 918173.5441 2100309.2562 937904.5500 1838895.5490 240014.8029 2077673.1528 2190251.1334 1889045.5447 1158197.8569 3010705.4717 1432648.3505 1036249.7789 3133312.6100 1310636.1260 2003320.7670 701001.1088 849683.5870 1846572.1671 327620.5684 1159544.7222 1265440.7987 4883927.2585 1200368.3422 1176181.6859 1011267.8224 953701.8495 1871455.2825 2486845.5665 1958329.4643 825346.4357 1395683.1811 752692.3495 1526087.2889 3206559.4121 2199083.9975 2319391.1443 1009981.6611 2396093.4772 2684943.1393 458682.8229 2911457.9645 941743.0383 1188707.0753 2150619.2029 483028.9399 667857.5435 2694966.4006 1601597.5929 1555325.8383 3194051.0339 1016313.3777 1065447.0134 850677.3132 1073886.0655 696211.1131 926377.2654 1289736.9295 929148.3934 518533.9753 988088.7618 675223.7916 815586.0447 255035.9789 926188.5901 1071859.8310 1690979.8150 1800090.4522 523757.4683 631315.8875 498215.9187 847029.4700 521407.0615 840109.7503 921718.8163 1076250.4511 279199.1467 423250.3413 1755152.9773 1450570.2549 779877.8901 2034040.7207 950180.8918 380765.8692 888075.8643 385484.4206 921484.1415 654289.4981 Cystine 33794.9584 56839.3852 94635.8656 59076.5702 53988.9584 89750.8964 30823.6246 306655.8681 52519.8553 111266.8967 43700.8208 164831.4324 56290.5092 65442.2698 172330.3542 80874.3798 55498.5723 144657.8449 331835.9345 26313.9707 28198.4045 61185.6742 46593.8051 82980.6162 66344.5608 75766.5848 53535.4897 38221.0648 51099.1128 60642.2771 28903.2025 261475.0082 108322.5479 55257.5330 106068.0716 74833.0289 63964.6520 58605.8348 56816.2320 53820.9923 48044.5621 37303.4179 60831.2851 114525.8811 57001.6456 43783.3918 32186.9150 161751.7196 48332.3086 86640.1547 33261.4431 181142.8588 53353.0816 134972.1584 92069.5127 51834.0214 281164.3391 290459.9604 133148.3381 30634.6630 87362.1208 46015.8171 54187.0224 62652.0257 39080.0658 44161.3313 60226.5258 29529.1352 278254.6604 136509.7614 55090.1650 140870.6825 121148.5612 57572.6558 51111.4527 133204.5587 31145.1369 57696.0764 103281.4617 55733.0669 51034.0042 82666.4922 41043.9223 162091.7978 55049.7075 177983.8844 34252.5399 228114.7223 54827.1358 57383.5569 171609.5218 73686.5609 49468.1303 55720.8353 318296.8404 233912.4908 102188.5130 59497.9460 55833.0480 62835.6514 62883.0450 100907.6026 41292.9320 37348.5459 43521.3466 61737.8855 40497.2323 134106.4915 235714.9722 55843.7931 31351.2269 148784.8366 67311.7701 43959.8088 56937.7042 26990.4523 47550.6622 43513.8986 48671.6591 56197.9324 58049.9311 157029.9195 29722.3142 78568.2743 124609.7337 30051.4275 107773.5841 168304.2262 80802.9305 127941.1511 95210.1196 59498.5469 192012.7401 42599.3720 60794.8044 30182.4840 94446.9088 70228.8550 41034.0162 46555.0732 85537.6882 66097.2264 105350.9094 151572.9472 63343.5648 153906.8740 146645.8123 75075.2433 63300.5890 55370.6383 29636.6571 39576.2090 44192.1799 53474.0656 51153.9766 47220.7695 45854.3495 36684.0873 67365.2393 56620.4834 286138.8608 26297.0226 251635.1224 256312.7227 245574.5742 220046.8449 271434.0210 178510.7231 138781.7224 120523.4572 63070.9160 194276.6723 85881.0861 79198.7572 23565.5702 81963.4275 64339.6920 19386.7655 75303.4351 56070.5582 23210.4320 106347.3194 159080.4998 79398.0405 179352.5847 84983.7485 66651.1690 71350.5461 54825.6073 29855.6313 42873.9675 46314.7824 54386.0570 50907.3816 45448.5253 48294.2550 31670.3439 64933.9053 59061.5510 78394.2235 33938.3895 215668.1445 319418.1373 135480.0134 66409.5925 96170.6620 215674.4292 143988.6435 39024.9149 56965.3750 76494.8943 81290.2276 64621.8283 33669.2724 124355.2391 66449.2503 82202.9865 50376.0197 41641.3031 110728.2603 101163.2946 150977.3704 49341.8823 205490.5862 244502.8859 67028.7897 75673.6708 54920.4647 28937.0689 43073.5298 48898.2618 112181.5626 221398.1539 38907.0975 56076.8169 27643.8870 63367.8234 97405.3810 115125.6518 93537.2004 124193.3734 266274.7064 30364.2021 85557.4463 171213.3635 51290.1679 210398.7979 64239.5286 63966.9444 282062.8841 167937.2062 59082.3725 24546.0345 51536.8423 34592.7637 56453.8712 64016.3222 38675.7852 35374.7964 48118.6452 44430.2363 26726.3365 27744.3865 56355.0438 58863.4134 32614.0775 99054.6435 132995.9901 99343.0347 389018.0654 135647.7023 53643.7357 280796.8263 64106.9195 70287.1834 37335.9433 52399.0555 112608.1683 207158.4831 31001.2135 58882.2641 27784.9216 62829.6853 52625.7838 86988.7694 91108.8445 166626.5341 203878.3291 309917.4254 35306.6924 62655.5661 59065.1872 28623.0474 54075.7678 32434.8900 84790.7863 37841.6984 31354.2881 45886.7549 77416.8797 19661.0625 23431.5663 80587.2354 52284.1356 33240.3347 132237.4614 146348.5371 81747.5997 257339.7672 113508.1942 236170.1968 32756.7525 54856.0125 32742.0173 63056.5306 54671.5569 60235.4344 115651.4084 79983.6771 231466.8459 29403.9054 45453.9699 116208.6561 124586.6746 192974.3319 62788.2268 59880.5923 95561.8184 92978.8462 59240.1078 42176.7957 45922.2473 30173.3263 35544.5630 95610.6859 37386.0483 34278.4965 64624.7901 48081.2977 28544.9205 35583.6313 42268.8854 58107.5373 28572.9715 114985.5073 64394.5712 96756.6325 200165.6577 63074.8178 53425.1843 54616.2862 42447.4503 60709.8185 67322.5329 35723.3170 93599.1034 65586.2264 54067.5547 78895.2981 82786.8362 31641.2356 74136.1754 158958.7097 60517.3548 31089.6075 23800.4509 222452.4604 56417.0249 47630.0191 76875.5389 61746.5653 65094.3194 27841.4562 21143.4673 80508.4477 99914.9663 60470.6167 46053.5356 62058.9271 46313.6523 50652.7883 87657.5227 60604.0879 31755.9399 74420.9553 53559.4032 68845.9350 78272.1896 172395.2731 30468.4492 25820.8396 163426.5674 45021.3408 59152.2005 73665.4104 39122.9581 111070.9073 59902.4343 60791.0688 27239.2109 98736.0624 51740.4767 55678.0074 42814.7005 63040.2494 80230.0401 165052.6699 210047.2832 59863.9232 72765.0294 156883.4859 39871.4456 33740.2089 23163.7208 42351.7924 66637.0749 123206.8279 165996.6632 113014.1863 59893.2923 55399.2624 61063.0168 43730.5010 64659.1145 94991.7802 54646.4387 134956.3422 68165.6889 42289.6640 59783.8140 32597.9474 84108.4773 151528.2116 59581.4248 36406.7859 28744.4629 250896.1920 44267.7315 57059.9366 87904.3790 46992.2039 72277.1140 71139.5193 32807.2160 17443.0191 39535.0803 150078.3535 61094.3257 32526.3108 74405.3244 48984.2541 40821.8389 68514.4734 59958.3181 33075.8347 Deoxy-hexose2 47126.4291 75650.4141 187150.1262 49068.7500 66257.2261 79803.6127 45464.3890 91366.6574 48837.4673 55913.2862 67027.8969 103125.5673 32299.8745 26664.1086 83882.1581 75342.0825 83205.4776 67585.1662 56883.9976 106272.9976 61119.4221 50379.2925 67503.8756 81155.1980 83846.0502 134919.3340 58652.1704 23149.3716 23872.3283 39528.3760 71593.5351 1945.4561 81227.3303 51571.0323 162451.6219 64858.4323 56207.1688 51752.4367 48337.3384 168643.5533 61000.8131 41622.4724 88709.2677 64159.3329 49695.4611 57097.0914 41062.8794 90351.5986 43560.7593 43781.9642 83450.6615 1510.1970 59146.4150 75923.6099 64149.2766 53663.5312 97288.6816 60696.7696 69425.2334 74444.6827 60649.8069 64882.1095 44927.9997 61591.8793 33924.5728 41862.7145 40037.7349 71518.5489 12397.8968 101827.7488 49406.2992 130686.8746 71410.8915 85775.6409 46066.6354 204401.8072 76451.2839 106991.2846 99288.8472 62071.9375 88900.5960 90158.2886 59921.8833 106776.7517 63441.1608 50945.8936 110444.7641 103943.1195 42935.5455 93061.9904 79797.5110 66809.9392 76289.5694 257771.4496 100284.9049 31519.6170 77495.4749 72611.5706 109438.1275 56765.4625 60944.9226 98229.0759 63820.4851 25692.2149 81281.1390 41947.6222 96067.2772 126529.1204 91818.8128 59318.0049 114641.3775 280965.9547 190970.2194 54320.4089 38658.8974 61548.0650 34493.1632 67692.1267 69946.7864 83369.9549 74538.1923 31455.6034 76100.1881 61006.3611 20639.2882 54511.2139 92029.8729 79803.5928 124427.4739 62266.6491 87162.0021 44760.2599 67686.4512 63638.5205 63244.2643 3675.5624 35173.8509 88175.0753 1877.0709 50689.6175 74693.0362 12090.0234 50689.2429 41881.6996 36514.0560 63139.8434 45364.2680 49418.1814 7589.3578 47977.9250 19998.0817 42478.0576 33287.8891 80839.6967 45054.8943 45932.3323 87336.8971 104022.5418 213590.4567 72167.1143 51207.3611 58176.4280 38651.5545 37654.2089 207889.8143 43543.5601 141139.2168 243504.7010 60541.5174 104210.9180 49052.4568 91897.0213 77343.4026 72307.2273 79441.9402 31835.6376 72814.4104 17144.4390 58297.6680 74696.6778 12060.6073 51002.8030 36783.8757 35234.9725 54273.1069 30508.9848 46079.5016 52499.2956 52005.3610 44495.1816 52534.3859 27606.6060 65724.9390 92814.3410 53916.7382 98267.4433 160038.9131 112484.5114 72193.1327 44104.7401 60664.9042 78961.9436 41811.7882 92646.3439 55227.1650 95603.6950 213948.3151 43649.1732 85342.1390 46928.5889 137395.2702 89073.3336 65204.3785 56925.8170 46594.5476 85197.6871 23188.0966 136238.7145 77560.9373 73747.0664 51683.0152 41244.1939 38967.3744 72755.5008 48635.9944 44781.7107 70790.4046 68483.4852 51810.6132 45892.8904 30156.3439 55694.4647 48315.4823 33742.3237 59804.7435 22366.3696 38279.4312 78658.8109 71150.1178 43616.7399 49838.2634 39303.4659 54922.1480 21844.9366 53272.9663 28920.8675 27264.0805 46745.4568 68547.9357 17548.7462 108951.7317 72879.0644 18188.9962 29938.6231 750.2989 66791.9407 102382.2736 100331.8700 33603.6754 46519.9556 49812.0085 38579.3844 51258.1003 41079.1863 33712.4894 53216.4421 48027.7660 65283.0343 56444.6300 180204.3601 61231.1905 28327.3901 24700.1883 42890.6431 7707.0222 83034.6307 91121.9530 58952.2483 45057.9092 30268.8509 50335.1543 13547.7606 40371.9797 78523.0849 55231.1124 42944.3686 39880.3894 36249.4339 40063.7184 31552.5754 67100.2951 77415.3363 1876.5842 29828.3661 34980.7449 69373.9480 39809.4217 29974.5319 42467.5291 112764.6290 49176.3078 49246.0007 63099.4378 39509.8245 48417.4928 31211.2593 143343.9962 61803.1603 2200.9674 66127.9855 59654.9618 38465.9766 56468.7367 18981.1979 49677.6460 58912.4841 84226.4465 55501.6002 59697.9510 35720.7069 49756.1671 33012.1165 53396.8415 27527.1157 30057.1465 39426.2458 57757.9755 7736.4383 80304.4627 97157.4544 1939.9285 35018.4511 22763.1297 91629.8284 135047.3011 63619.6007 47348.9521 39550.2812 86275.0632 57118.1296 153010.1631 50734.5467 49795.1309 222031.6330 36509.1504 93089.3532 60493.1881 85992.9894 36492.8505 20766.9871 44040.6785 41548.3928 37294.9451 59540.0516 67913.8713 66574.2677 52915.2200 57735.1521 46246.3738 69760.9196 67700.2673 78718.5635 59004.7611 59402.8006 59834.4598 75816.1449 54071.3738 36775.2674 53061.0976 29773.8997 78296.2184 51697.2813 1755.2752 24197.1382 51847.6636 40282.5560 48429.9011 97825.9167 58415.5172 74148.3070 63116.4165 70980.0699 42413.5683 71735.0504 45225.3903 71833.2591 73694.7291 78605.1937 60772.9789 70290.9360 97376.4118 44693.7602 48015.0780 55627.2855 44392.3964 61319.4925 46993.2103 52623.9200 46070.6223 109215.5332 41887.3162 22775.6128 36577.0757 39426.7172 36739.0177 57396.6263 84804.4255 49263.2745 79300.8273 49423.0784 51927.7853 28374.9198 28.8244 21023.8614 96750.7842 61720.8902 66417.9945 75820.9086 61148.7979 49512.2011 17576.1478 70951.4804 48135.7134 51805.8411 64940.0335 113087.8917 185097.1884 69055.1220 75572.9443 58024.2691 70651.9383 71149.8140 128471.9713 79672.9445 62090.0349 79507.8848 42343.8285 59291.8448 43920.9090 47466.0095 28472.9226 89650.6413 67844.3018 112316.6245 52962.2079 62207.1657 61692.2084 52953.3794 451126.4139 112860.5997 78473.7238 64627.6117 55782.6972 41881.6946 107761.6386 deoxyxylulose monophosphate 513510.8337 646996.1300 587605.5421 614956.9810 654775.2112 632821.8722 261259.5989 792476.1368 660670.8552 785767.2620 201199.6547 569528.0310 613987.8110 760282.8246 437770.2247 773784.6194 752691.1658 591176.0805 1322660.3008 1967896.1289 646247.7754 728594.5237 634281.4223 685479.0393 751081.8404 501804.5620 680140.1379 89147.5782 506946.4807 701355.2235 332651.3654 417550.3824 470085.2428 625963.0121 245639.9060 316770.9811 740409.8548 1144807.4265 615815.7014 496633.2452 686954.9435 495000.1574 652417.6571 597002.0497 605771.0366 652199.1251 268345.8305 791352.3535 621079.8612 781845.3032 195383.3713 567137.6315 756203.1686 446380.8601 753934.1199 732943.6221 5127474.7488 1015783.3406 1751469.4419 999270.4898 2075481.0699 651020.2134 688374.9877 722844.4227 108453.5943 534073.3878 785428.6548 349694.9312 2436198.4713 501279.9852 629871.7189 260406.9754 323960.3326 741410.3107 669949.5611 645201.7344 496049.6004 639953.1397 604750.5915 601600.3307 659703.0395 641267.1362 270557.2056 802142.7041 633470.5011 788571.0393 212936.4980 568255.1119 610878.7607 768876.3596 440191.6098 756731.0945 739383.6488 10796682.6535 110940.3772 761122.2497 657607.8664 684384.2588 641559.0326 702160.9274 727797.1724 506151.2123 674650.4738 106994.6118 510836.4237 714924.0208 350855.9914 400700.2023 466130.2081 641046.8778 235754.1237 300020.1277 746404.5852 645522.4659 689274.4142 467492.5098 591934.8475 451640.6135 205745.2647 631649.9517 652976.8253 301240.8474 709754.3104 769321.2309 585746.7865 546375.7403 625792.4717 749523.1550 219073.1355 670139.8097 500893.9164 643507.2673 258921.9035 520911.1306 797300.9848 1453367.0851 664351.9376 759657.3982 1079615.2383 806851.4311 603529.0452 777975.9187 751211.7225 658640.6703 656344.0925 580992.8108 775626.4356 801525.8813 552916.2050 610349.2650 413721.1905 461570.5691 677217.4666 965169.1018 421282.9888 599208.2379 460674.0247 195491.6794 684245.5280 645074.9335 337959.8866 723631.0486 773235.7004 504680.5323 15498403.8054 636121.0647 648053.0837 193448.8422 674971.6293 492277.6218 642281.6123 256611.4489 518869.7379 797526.9718 2353226.9566 917745.6128 765407.3071 1237087.1179 828020.9475 591383.8597 775702.9576 767396.6384 659472.6786 856381.7790 586537.9640 787157.9686 794045.8434 545447.0936 620330.8566 472228.3297 465302.5170 641904.4226 687707.8099 448322.4248 617000.3958 459762.0867 202882.6804 650663.7789 629543.5955 281402.7925 739467.8318 771272.2942 524462.4175 482478.8292 630775.2352 648543.1207 568272.1238 630275.9136 493417.0958 643248.4699 256493.3112 537008.3566 792531.6816 825120.6877 658443.9481 760016.0084 862571.6161 673231.0266 566238.1014 774440.0440 738648.5748 680955.4798 693153.0113 571435.6632 777701.7023 774724.8315 552221.3722 628754.7313 404410.7742 455730.1644 613429.6487 766381.7325 909313.7152 388209.6241 708130.3918 689344.3711 762454.7349 501807.9513 4215243.2051 727491.4068 767904.2081 252842.1238 943932.7339 2983128.6551 4364090.8999 707571.9207 727645.2810 748354.5300 724555.3108 539024.1794 161018.2225 662120.4259 547118.0995 560347.6313 552391.6427 511437.6627 737113.0247 1705943.1599 156527.7353 604047.7498 632591.5437 616636.7892 563967.6509 569970.6629 757688.6859 719727.3320 724309.2864 633577.0546 718915.4117 2086323.1558 3421183.5104 705431.1378 734341.4419 756684.8628 512626.2903 153561.1540 749965.2449 770678.7567 762349.3635 416205.1687 714076.2140 700118.8580 749936.1822 504125.4880 1400342.2071 728115.5282 770617.5787 813240.6696 1382387.1512 2744780.4744 761585.2575 658938.1705 545529.3876 552373.9280 522093.3938 516044.5606 1525845.2130 189346.3422 631553.4513 1868387.4640 625642.0277 555877.4307 589040.6583 754622.1873 789941.5470 725022.3790 811327.0458 745975.6564 2122652.7392 766698.8843 755083.5662 391926.2917 709714.0592 693307.1401 757153.2400 487612.3745 653767.8435 731986.2789 769241.7327 213614.5318 354138.4206 274855.7096 596160.7113 709068.5983 743721.4719 745339.4661 709180.7866 517427.8087 183162.0332 665826.4468 540372.4376 562636.3616 526979.2211 480756.4345 753436.8250 512915.5466 133947.4224 584221.9002 641779.5379 632844.0639 558463.6984 562596.2708 757669.3666 698860.0948 724233.9207 541734.9839 722119.1740 198914.1842 708038.5440 728502.0532 665832.2373 449388.8567 711946.4514 770257.1043 113696.2730 822495.3468 793239.7865 566046.6283 711020.3053 640701.6579 666265.3769 698611.0213 737684.7583 677222.6111 614225.9306 807082.8149 683338.5747 616670.7228 323368.1164 570141.8691 688666.2806 1823418.7278 180531.4077 928168.4707 2352223.5079 730493.9872 1283553.5959 489999.8296 711591.6060 662762.2642 231279.9380 694941.3147 697373.5147 458168.8134 2761594.6680 632107.4131 663065.5364 1049615.8054 720275.8563 625216.9885 797272.7736 677594.0501 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2206455.4085 1543268.0365 2640361.3561 4637236.4152 19746493.9552 1446.2904 3803661.0015 10226423.9931 20638154.9989 1596879.3835 14800715.1043 5149212.5909 1322558.0369 1185686.0901 1154883.6140 4433702.9897 2005246.5897 1533322.2239 16417299.1962 22882748.2307 3171584.7076 4128130.6464 21017021.1451 2103711.4031 1159024.7186 1712723.7315 1074.1817 3796.1402 5287211.0127 1030.0452 1329.9849 225.9780 4859431.6599 5913099.9460 794.1766 18148169.9162 4053511.6706 7202781.8403 12888075.9707 1506678.3060 10408037.9886 2722982.4764 1642.8716 1178.0943 15619933.7800 4622246.7987 976906.6852 439.6215 4701449.8495 2963455.2527 640433.9917 954872.7609 3953990.0380 1427727.5531 1190490.2553 17936177.5028 10307256.2536 9761887.7107 6504398.4335 2859.0355 9862856.4603 1796.5371 2992.6527 3421.1419 6621869.2001 1300.2752 5900067.8951 7232744.6731 7206840.8769 4378843.5592 2511.9459 2162.2503 13739048.3231 3999574.1790 8720125.1617 356.9692 7628264.3494 3972929.0016 4003001.9009 3820.8118 1923.8703 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6229594.7526 4217105.3366 4647260.5655 4499407.4918 5842462.9233 6606673.7161 2350954.8973 9445189.2737 5974722.4093 1977756.8883 7104239.2540 26346105.1006 10017757.8220 6715660.7258 32001111.2328 7996991.6899 4920690.2790 6557881.1009 5427672.8844 6770158.9123 6409652.1982 6442195.5732 3335031.3677 6984778.1420 6266541.6102 5733354.4108 9426082.0451 12321570.0991 39160653.3466 6592414.1151 3516502.8425 22498798.8083 2083940.4484 7690912.7237 10902810.8203 2831238.4145 5462375.2158 6446743.9616 6374084.8226 2600306.2818 3750304.3212 2509313.9842 5782418.6411 5156396.2425 5352810.0556 6643461.9222 9381378.6557 3403090.3366 5131205.6434 5813994.1359 25162515.9442 4122528.1210 16192499.4103 5770129.2745 3818649.6423 5528653.5386 3490115.9581 16613557.4290 2444411.1836 16471935.9913 17630874.5545 8082740.6589 2808720.9536 10273473.1220 3288820.7692 2815654.5840 6277477.2577 2494034.8318 2845787.8313 6908450.3721 4642484.7766 6909962.9015 3574096.3370 3391537.5640 8286072.8240 6734346.1684 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5554203.6484 7527962.6566 2532839.9494 7345403.6316 6429321.4186 9659325.9879 15279324.3605 11090344.1646 4787072.7312 4927870.9399 8006746.5907 11762629.1959 5154501.6730 7190156.7765 8646305.0837 36527449.7719 22256438.9286 5688190.3495 7477234.9581 8345000.6791 6568658.3351 7790460.7064 6027934.7056 10810997.9710 4918058.0353 6022085.6618 5902784.5637 Glyceric acid 1051484.3129 1039992.1975 608278.7753 1019838.8281 784704.9972 796702.6360 822582.7987 847265.9986 1418001.1791 966828.9873 915762.2581 727061.0139 936843.0227 1160432.2134 674019.3871 857837.0508 1242605.9629 770874.9040 807433.4032 1108397.0307 733838.4439 823650.0259 1735692.5292 687872.1831 1778968.8753 871746.3008 1011037.5752 1105465.9774 905342.6408 844154.6464 556728.1106 536919.6474 1026139.2075 996067.5072 614641.2508 754628.1385 996541.5769 917292.3269 942140.8713 1235014.6735 1496163.4321 1074078.6340 1005076.6148 746281.1446 1149805.5173 853333.1625 886779.3240 923299.5703 1380497.9890 838564.9919 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1780787.7345 721179.5582 821350.4556 1468501.3458 1591021.0083 2388708.2470 1369889.1440 1488189.1652 1737726.1027 1257967.0583 930746.4829 1181551.0978 1661887.8133 936031.7973 1637222.5846 808243.9372 914844.1703 891028.4364 996307.4004 943610.1743 923685.5761 1664747.5043 1006058.1374 1504632.1173 1027487.1978 852726.4871 941084.0077 942491.0304 933647.6489 714452.2023 1156020.2075 474618.3507 881682.8087 808306.9556 1083659.8098 827468.6470 1827665.0376 690288.9505 782889.3287 918690.1053 871610.1198 1452431.0555 1667665.9598 2493952.2067 1229921.5774 1262948.9179 2336624.5473 1785379.9768 1099007.2556 1507146.5279 1516616.2933 1254664.5112 1594537.5211 1115353.7277 862044.6328 1042121.6351 952327.7991 704346.0097 888442.4874 871934.7860 937493.5646 595416.5793 930550.2717 869730.2991 662295.5071 971856.1109 1037969.7753 699917.9008 775071.6769 971120.7364 662303.6324 823431.1107 813436.9928 1023536.4203 1616358.2842 1449191.5805 817991.4773 834329.8006 661099.2746 709325.1240 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977650.2811 829802.1944 1090173.1144 687705.0700 Glycochenodeoxycholic acid 211.8737 223256.7946 3053.6976 735535.5524 67197.8414 1565365.1270 621674.8149 594.8948 2311.1788 860.2769 641220.3997 883225.7617 1492419.4026 1112.7939 117992.5677 2001818.1181 1534293.8789 3929.9757 124075.9586 476565.4647 112006.7656 1391094.2337 35258341.7864 692.3810 1624832.0897 1612102.9538 1849.2161 89770.5561 2627.2959 1839039.2687 405080.8655 631213.3468 572335.5387 1544293.5693 302513.2686 3995953.4860 856.6353 2629915.0575 1482581.6942 148.0555 1219.2982 1692.1860 1635965.9613 91.7990 1191442.3696 3636012.3331 212.1600 580.2969 268390.3191 3273.8378 241725.4007 3525.8774 1916.8096 2124.8988 2084185.1753 501.6632 2234.2609 1734.0075 2227.8278 2622527.0600 1778861.1531 82994863.2651 2392.9382 1841004.2234 2772.3968 701.7236 1720593.7271 3106.9434 2282.2120 1094856.6579 1162237.8129 257618.0857 342141.0885 3162.9420 2998.5906 779.3538 2808.2241 1496566.2451 3852.0815 1195696.8460 3967.9638 1627.6125 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1371482.5994 169982.3414 418887.6554 1942796.3215 3834.4323 2782.1165 2027581.0518 302763.4369 1265585.0919 561.6866 359832.8428 2031558.4364 1620983.8694 249.1955 2107514.5317 1349590.4357 1873288.8532 2866.4661 1659775.4856 1272.6630 354.2080 2841.7991 2514.4100 1956.5536 12261674.2475 640.4236 177011.9947 8059637.7438 1653875.5987 14560203.0951 428.7733 2674473.6724 185.1077 6163933.0729 1094.1247 580666.6061 7915.0862 736907.3590 74190.5699 1765252.9243 1557393.0625 113.8351 2399835.4169 3177636.4603 1554.0288 1734258.6252 2723334.2394 277.1703 2315.0232 219.6285 1874703.3283 1162638.4242 1029.9985 8640773.1321 6551205.2248 2139812.8935 1720.1858 332388.0047 68554.4308 1224.0859 3657.3047 2017260.5873 1225900.2372 13672.8777 3950094.3566 1895.2879 431.0901 3551.7419 1681479.2054 1325826.3284 259.6690 1945217.8976 1438861.1572 256.2456 769.2159 6388891.1354 2454.7352 1306959.7040 1034600.7143 3703.1839 5.2414 1600058.8578 247728.1634 553.2957 921.6619 1024762.7689 317.4959 3706.0136 100061.3567 1281643.9796 717.0146 2151.7058 729482.1606 838.2660 3534.5668 128226.4762 3929.6094 3189.7242 1818537.5020 3153.2886 568.0569 1148070.9050 3366.9508 1038637.6916 1445.9715 4019.1283 1991.0322 2090681.7215 3808.9717 465.6072 2114.3747 2443.1423 874738.3898 466.0309 1271020.4863 1747543.7276 3112.1967 329891.8612 503027.7711 415951.5738 1458492.1816 1539162.5980 2163916.8838 3814.7442 184377.4845 1893582.4701 2545.8730 29533.5261 13162976.7545 1798.2969 3729.8409 2966.2362 3892.2926 1173.7627 2855.6420 44.3645 2635.1105 1986492.3591 555.0057 1448122.0737 834532.7030 2433.5241 1108.8668 673.4586 2030684.1178 2920.6011 1196390.1892 1960620.4426 2294.4368 2732142.0443 2315.6259 3686218.3868 1819179.8984 3895717.1665 4850504.3810 1958180.4608 1807949.3295 233.0888 157555.2022 3267.3564 60712450.1824 1148.2213 2773.8300 2589389.8709 3363.2523 1033443.2908 1692.5718 1981.2611 6349727.3288 1061.9009 394861.9035 512942.2100 1054.4541 746.3655 1700.6702 1493869.4543 1920137.1835 11636.0686 1690945.0934 3495.4202 1614739.9810 2699.0135 1786545.1206 1259525.4211 1065872.7342 2751008.0037 2006935.6876 2023722.5252 1811163.3340 3840.2757 3884.5423 451201.9177 1013639.8916 600213.2204 18970945.3295 3243054.1485 2465.1116 1664792.0532 572884.3584 318.4672 1621158.0343 1908335.1292 575301.5305 2381.8606 568412.7682 1646712.4039 1661401.4094 1192456.3227 717494.7726 4214288.6586 3828.1370 2488.5886 1722009.4365 439375.4484 1832006.1861 1973.3676 2969.0705 1902467.9625 1939929.3068 2089390.2885 1737.8902 3066.5865 2484.0945 1872370.4782 2052121.6132 31444.4062 1431450.6323 1768888.6857 1890107.7491 1028.7815 1249.6935 3997.6618 1654317.3471 3223.7652 1696271.3599 2096121.2453 3941.3835 3586.1017 1425425.0836 1680072.7316 341236.7370 3897.9500 2654087.0777 2978.3391 120940.4894 1742525.5130 3566.9452 2638.4865 2109.8069 1796794.8018 239916.9454 616529.9455 849.3415 1461356.6409 1529014.0992 391778.4743 1414504.0401 2001518.8340 3723.6735 1737365.1391 1744.4209 1658994.1985 208256.2558 1686587.9135 3355.1387 3805147.1474 26480.6843 360.0261 1593275.9173 1211.4213 3095.1699 1262867.1847 1278640.2457 29013742.5115 3722.8597 2237.4851 1036312.1810 1436769.5850 1398490.5298 980444.2207 1063.8270 1494589.9435 56.0344 1609366.6604 162403.0587 Glycocholic acid 1788.4533 217402.5711 787.5877 2648.1894 1089376.8897 1302514.7256 266008.3760 2370.6629 2062.3279 3085.7881 492353.7406 913265.6517 1950376.6230 543.2876 75.0537 2652924.2993 10.8168 2723.3506 185719.8026 1893.4740 555825.3148 1845157.7756 30708502.2547 235.2232 2535070.8199 124379.9204 1899.0315 260563.5507 2883.4219 2285863.9096 1719.5052 2032.1402 1774.8050 1755414.1411 103061.5784 1293763.1667 3375.0057 7054645.7297 2003101.9275 264.0418 2766.9801 2809.1412 2248057.8809 329.8142 1867448.5695 3724793.5745 697.3838 3202.7658 2115.4569 1445.0705 46263.4762 1725.9637 1630.9161 1286.2151 2670445.5570 3373.8840 2184.0597 3745.4358 749.3755 2269193.7188 2331181.4560 68312652.7463 2835.0464 2547162.7284 660.5684 919.2978 2348415.1775 2227.6102 1620.6720 110961.6042 1411076.8906 102540.1700 12591.1112 48.4626 3283.7579 762.1801 982.7281 2018485.3687 3675.4620 1770858.4125 394.5849 3982.7192 2168.9644 3394.6426 3110307.9146 3373.9884 121013.7931 137141.7722 2063330.5911 691.1290 1527.0680 2515348.0880 431.8713 1088.8943 18718.2257 508178.9694 2689727.4390 2144146.8941 620.8293 1200.1077 2526987.6581 3858.9263 414.8617 2055.5613 1174.8877 2470192.7360 1832.5415 969.3789 3278.1692 1862476.3597 3106.4700 830.6411 3474.1094 4043637.7721 1750.3692 112538.1734 116050518.3352 518.6036 2471.6801 4820110.6361 1293.6808 4656648.5004 2955.7021 2807.5819 3370.8246 902.8562 3049.2346 1401.2560 513.2487 1527.9837 7523882.1751 1939137.9760 2129736.0150 13997263.7542 3985.7476 7491033.2235 2235.8684 2147010.4533 411145.9115 267.0636 1699.4691 2533.5463 2607504.7828 2036093.5527 3938.5132 2318963.1199 1538423.0560 1142363.8969 2161.5743 2091280.8080 250.1958 623.9227 1008.5515 967.2209 121228.7341 65671411.6556 3978.2402 2938.2490 850.8626 11748.4021 2043291.6408 2786.9347 618.4050 3311.3253 2298.6344 386.9956 1661.4714 64278.6381 1033291.1413 331.9948 1663316.8783 448.5104 373268.6718 1566.0541 933691.3764 1605.2714 2537425.7919 2205.2824 1665.1587 1079.7281 3830.4091 2605245.2396 2126464.9648 102.9430 651952.8190 243114.9539 2265143.7623 3645.5153 2131646.0300 30.6202 2270.3169 1731.0243 499.6157 358.2592 1540233.4570 837.1246 3926.6911 469026.6886 2188743.6915 8423440.0829 417.0710 3314.2470 164.8367 1357187.3253 2151.8532 2331.8138 550.0441 1742418.6203 2994.1317 2262155.7419 166806.0926 809899.1576 1713.8596 5560178.6111 1658.4412 2529122.5405 615654.2086 376.8514 458.4423 2140.2359 2547349.4974 1802085.4082 2428.2125 4238355.0446 2345026.2653 2745445.8913 1925.6946 1367054.1622 222.2642 1849.1050 3118.8944 2633878.7146 2528579.8721 190.2818 4937360.0917 2348.2871 3980.6597 2694.9526 2205731.1508 1513463.1487 3460.9741 1201263.3985 925668.3674 3912.6906 826.5259 831.3126 205.1323 1614596.0619 1545098.3843 1403.2694 23.1236 1688689.7954 237040.6933 994.8120 2739.9047 323840.3914 1840.9917 1978.5918 106355.6796 2054.9857 1491.0194 92578.4767 313255.0388 1499.4319 710.6878 174396.1570 3099.7664 2392.9042 2208611.8574 14568.8031 1433.4842 695.0917 3750.8406 1538436.6243 589.5933 162.2316 981.0486 2695469.0272 1910.5472 46.6069 1986.1604 309.5049 713.5231 1523.0749 1479500.9952 1330346.4936 2183.3233 23273.0409 2975.0648 1693.4984 2183584.1734 2176259.7695 2653978.8638 2564.2489 1377.9044 1263260.9690 1951.1826 10957.7207 1706675.1562 1443.2372 1402.1345 3876.4426 3487.4850 2914.5659 1532.1965 3041.2053 942.0813 2545562.1137 3399.9491 2474609.7785 1414.8058 3333.4181 2512.9019 291.9057 2538352.5953 2349.6438 1598194.7990 2490594.9065 3798.0150 512205.8714 3161.5160 651638.9692 210304.6081 3788.6828 1106500.2875 2608882.8759 2358617.7467 1212.0367 3376.7808 606158.7619 167258250.7343 3098.1701 3082.1709 1689652.9148 1320.7074 1757.5871 564.2259 2025.8933 60552.8777 828.6725 3127.5574 2147.6262 3053.4161 791.9238 3946.6509 993.4843 2473363.9555 1600.0493 2411790.4584 1260.1415 1972890.4325 1572.9546 2338969.0106 3509.5829 963206.7887 614593.2735 2724215.0926 1099083.9894 2309565.6281 3772.6107 2875.4206 780912.1239 2280300.0089 1485006.1912 6761010.8936 183159.6972 1419.9833 2124461.8149 185566.6592 1990.4666 2321635.1865 2498946.2842 569375.5534 3926.8016 225.9491 1784264.1054 2272324.5664 1220644.8973 756619.9156 4254885.9379 285720.6719 1257.0529 2422334.3016 587327.5494 2350520.3991 66.2689 1402.6685 2440925.0299 2531329.6606 539157.1576 2928.9874 2652.5619 3481.5234 2399489.1980 2633879.8423 1155.9471 1539868.4104 2283906.4607 2426650.6145 2870.4792 1455.3547 2446.2167 2134512.9814 3071.0849 2309147.3014 2699006.6787 894.8114 127.2666 2151325.7952 2156944.6960 491.0599 3170.8469 7422009.7485 1591.1731 1621.9070 1742836.1433 2853.1657 1928.0722 3965.8451 2400449.9164 2205.3642 325115.0590 3884.3505 2081725.1730 2649944.8872 97462.8042 3949.1659 2700912.7792 2032.4599 2219929.6623 3333.0737 2311630.2924 2210269.8930 2294811.9334 2942.3557 295.4456 3695.2105 313.2750 2121649.0110 2256.4570 3694.1186 2249980.3019 1882078.0051 62220808.0290 330.7270 847.7253 1696265.9542 2187184.6260 126.4598 1890232.7963 432.4946 1167644.8839 1055.4001 2281084.6900 1046.1190 Glycolic acid 448560.4840 426196.3365 252295.2159 446128.1319 443158.1898 379977.8726 378533.1088 404736.2984 370644.1575 495698.7076 310672.2392 304453.7167 304426.0642 379154.1141 387521.1993 339168.8921 413439.1086 301080.8511 338112.0689 355329.8385 269856.4689 297963.8129 295234.6259 453763.7310 408278.4798 343615.1472 354185.6486 308724.4459 256462.3781 267714.2003 172142.4544 235980.4676 281733.2289 309980.4781 303340.3714 240923.0686 598868.5943 301395.5935 360448.5511 566494.8338 384676.3775 304759.8237 367552.9971 307078.3558 389424.1498 523676.4378 402559.1917 519196.1210 379981.3129 326331.0504 495789.7883 235448.6021 425351.5876 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476430.4678 313527.9697 360642.5691 359575.4406 274843.6960 316200.0707 282492.2215 327330.8242 329162.7545 360226.7612 389622.6347 310055.4558 273277.7931 269492.7956 317475.6545 269480.3790 1073925.4212 327679.5076 306970.2290 385088.7391 305704.6881 322139.2992 270045.7458 299777.8716 258938.9621 238498.8101 367632.9021 293930.9343 347617.0249 377934.1737 212741.2022 323983.2036 278646.5602 494899.9042 479672.7399 265225.2823 386632.0710 404660.3677 1090246.7950 378024.4593 371293.5611 323891.1076 288877.3442 229131.2346 413364.8030 249178.6761 1120395.9568 365056.2087 275889.2654 310790.8585 224212.8740 393597.5874 294328.9296 259315.8864 371980.5950 262412.6979 248331.0689 308681.3496 354427.4612 316724.8386 242498.9809 376896.4671 1500614.9087 355613.1078 318293.1794 401963.9885 313390.5893 310213.4194 297891.9707 399186.8734 246072.9965 334808.4461 285389.7028 282602.6557 487987.6168 423958.6590 693048.6230 314917.3678 379769.5386 436446.9962 677886.8055 323997.5269 253554.4941 401716.3356 260347.7053 295876.6724 307999.0756 231830.6304 295295.4253 295507.1556 348643.0988 239778.8910 393603.5036 309953.1902 380341.9352 310688.3223 357131.8571 438250.5629 350101.7835 499744.2893 467713.0397 354384.0820 263508.5895 219520.5641 302481.4017 256324.0161 304972.8940 388683.0579 289715.2060 281355.4093 363924.1348 381573.9982 358616.7171 404431.8913 502030.5306 535116.8818 346005.3411 503492.1626 397888.5998 357114.0281 462871.6837 465898.1284 276384.7255 377703.4830 409017.7252 260172.9308 319408.5036 305765.0765 305906.9441 286921.1537 472072.0780 319951.7411 285790.4392 387327.9402 376192.9912 302488.9961 514045.8239 361673.7935 299657.2936 265294.5988 300946.3307 208174.3566 368119.6744 322821.9628 352003.2012 734726.9670 329523.2036 452992.8589 300304.6470 244008.7202 257770.0321 343946.9807 282693.6948 267969.8947 265734.9989 272342.3714 325154.1402 441102.9862 454034.9378 297452.7143 301923.2696 241376.6407 300360.7710 300469.1283 204133.1480 287456.0842 332747.0394 198886.2765 372589.3265 336198.9152 640211.1699 323384.8379 476836.4754 324758.7393 287882.1416 300913.5977 405833.2198 294642.5281 464160.4258 340040.8932 174513.0917 289470.5969 314397.0355 313491.1056 312190.6081 479629.0293 332317.0915 387448.7983 373240.2239 386969.5526 349792.8596 190122.7866 257935.2291 369662.7408 390938.4409 324904.8505 323419.3926 321158.7363 525073.0398 378464.1334 323281.9590 297418.2151 299871.7808 333973.4062 320244.3707 346057.9699 341400.6312 525209.2432 398648.7871 274762.9602 339817.9016 219507.6752 390111.0477 392070.4465 441394.2920 357700.5574 469645.0759 497890.4622 323253.3034 337298.5086 355328.6972 343947.8588 495772.9310 390612.7308 401803.1665 339397.1620 372566.6674 344248.8332 380674.9301 448784.2882 482112.3684 264750.6248 300860.2300 318932.2339 302937.8831 222423.0613 Glycoursodeoxycholic acid/GUDCA 377.3618 863827.9163 703.2678 1518301.2083 525862.0559 1141.3583 23422083.9262 3210.4670 3094.4648 759.3561 2149.6830 304.6985 1731999.8288 1499.6694 674.0748 2177623.0654 3368.4148 2876.7106 2683.0819 606.7712 935.8292 1882331.0327 5149238.2126 2479.7052 2033848.8921 3274.9243 730.3698 1885.6434 2457.3058 2024961.2570 3058.2235 2233.7663 3466.4607 1798208.3627 1640.1037 573033.0656 2383.6940 2642.2028 1733289.7089 176.3403 1865.9607 998.6229 1764421.1736 711.6695 1614252.8869 3074.4878 1561836.1456 1854.4972 3046.8461 1713.3203 955.8046 1651.3244 3776.9732 1850.2597 2187121.1455 1576.5658 3510.3058 3596.3481 3219.0334 216084.8012 1937463.5753 5774281.7895 1714.1229 2035695.3635 1543.7060 668.7023 2001753.6447 1208.5998 1972.8894 608.8269 1696242.0975 2794.9251 1130.4030 1967.3770 2659.2798 2974.2588 51.4445 1655520.6254 880.6450 1552799.8825 79.1872 2625.3487 2996380.4741 2839.0963 2419.2456 2818.4828 2481.7417 2117.6672 1678699.8466 2436.4240 1352.1512 2102531.5615 375.3284 931.5925 12162.0549 260469.2574 717408.0263 1775711.0822 1012.2236 2587.4842 1966602.6475 627.2924 943.1261 3538.2287 136.8562 2027562.4854 3417.7033 130.4748 1539.5725 1739283.5063 2590.7253 965.9678 2718.8403 3732.4365 3003.2872 3044.5447 3655536.5938 2570.6952 1066.9476 2731526.2496 1794062.0072 1740.7055 3932.6796 2606.7404 2056.7936 1688.6714 1435.7829 1278.3796 3700.4566 1454265.0822 1007.4684 1846637.7422 77160.2163 3202.9994 3435.5077 746763.0538 694.4785 2206579.5187 1266.7960 1311.7781 1421.9305 1826.0483 2114778.0567 1882391.9886 1231.2596 346.6553 3962.4923 2238228.7265 3689.4757 1685673.1595 335.5572 702.5265 2023.5048 1451.5892 320.9186 5467808.8082 184.3248 202.3141 578269.4304 1760557.6772 264.6727 1546.1393 1362.2943 1554.7092 3826.2083 464.0317 1084.2574 299268.8279 1523867.2291 1742.8635 1820529.4042 3704.4017 3393.6292 1376.2418 2105.0374 857.1921 2198796.1694 3766.6044 3130.3652 1800.1034 887.9177 2136529.3752 1890488.0997 1870.5585 3563.2962 3089.9232 2245694.2201 786.5569 1743470.2370 1361.3845 3203.8710 218.7592 2156.6361 1000.6050 825966.1832 3205.1126 3550.9284 8942147.0697 1779743.5434 203.1016 2463.7233 198.2348 602.3477 314584.5801 3266.7472 2822.9792 3646.5052 1514629.6121 1064.0914 1852437.1268 19107.6758 2315.3719 2693.9876 67394.0735 1568.4657 2202687.8440 1523.0865 3374.7201 3114.5284 3885.3118 2078895.6616 1881833.1254 2757.0213 270594.6844 3874.6733 2245496.2650 2241.9613 1388281.6063 1097.4909 424.4009 901.0667 2218254.5426 1449.4058 347.7524 814.4396 655.5757 2025919.0509 1209.7221 1861321.8068 2064764.6534 3970.0899 2330.9745 2811.7024 2485.6617 763.6479 104.8919 1158.4192 2152096.0738 1976213.5037 1532.9410 1485.6268 1899914.5811 10573883.8149 2311491.7841 837.6345 53830.2724 286.0987 2192.7595 186.4432 17062027.7818 1540.0998 2509.3049 2082.2457 269.0071 1266.1535 2935.2059 1388.1421 2539.4779 2076671.7217 2459.7010 812.1656 1971.3086 3303.1517 2146339.7646 885.7288 2978.6904 906.5352 2214362.8679 3674.0316 1059.9756 1505.8210 1591.8053 2158171.0990 2744.9214 1817298.9085 2082996.5782 3565.2139 1415.7808 486.2285 1245.2161 1985228.6441 1898406.0541 29425487.4143 1675.6826 1724.5916 2830.3202 2735.2224 371.6140 127785311.6205 1979.8524 3965.0628 3220.5619 3031.6004 1892.2461 3536.3007 895.8468 2997.7813 2085937.6050 2140.2947 2143740.6569 2460.4168 986.6880 325.3959 1598.4337 2179337.7962 1008.7252 1650859.7083 2075310.0632 692.3168 2053.1781 3180.1107 174131.0497 3787.9470 1145.8395 5507465.2112 2144312.7245 2041244.5150 1342.8462 358.7238 1771636.6858 208294759.2715 1952220.1580 2828.7870 54444.2536 1167.1769 2387.5489 1009.3844 6318084.1646 1861.6983 3383.5371 836.0305 3453.8792 3601.5774 3395.0504 2596.8993 3047.0816 2067126.0347 2383.6913 1967960.5419 325.0831 1779684.4269 1439.2514 1943163.1813 2065784.2652 2589.4594 924.1484 2257171.2889 1621.0394 1914703.9210 629.0609 3410.4884 1455461.2981 1444325.5255 3452.6810 971104.4172 536035.5083 2465.5605 1757550.0981 2669.5689 563.3590 1813092.5211 2163955.5602 3873332.7240 2939.3627 2041.2269 2105786.2640 1864112.1507 1206.9637 1936181.5589 3979.4948 558.6084 439.7777 1973400.8055 1690.5278 1922487.2702 44.4183 1918.6418 1996429.0883 2067450.8327 957.1327 198.5287 764.6873 1598.4617 1973079.0405 2161366.0667 2187.2052 2062700.9938 1868003.8253 1984754.0644 1163.6759 1374569.9510 2907.1974 1775579.4886 3214.4529 1918920.6525 2225694.3053 3931.5617 3653.4241 972777.4678 1766820.2848 1623.2640 28.6641 23075394.3554 378512.6538 2821.6926 1989791.6630 1141.2607 1745.9029 3392.6172 1975330.7157 2004.0429 1375530.4129 3309.6854 1849585.8926 1834872.0990 1891.7941 1783.0978 2249939.6876 1061.6240 1918595.5956 963.6908 1889769.5410 1200994.7802 1608658.6168 917.0819 505092.7573 2441.1754 2479.1155 1718917.9335 213.7080 3659.6490 1514282.5671 2096149.0332 107479465.3173 1978817.7495 1296.8423 1995740.2935 1840759.9352 1810.1455 626980.0177 3684.0316 1043264.5706 367.4370 1841607.4321 1344.5361 Hexadecanedioic acid 1267197.6655 200792.1562 845989.0345 325049.0758 3955.9670 493096.4207 2071132.9983 3927.8283 1224.1926 3946.6168 421947.8848 4262528.2760 887273.0660 2182701.0295 1012375.7063 1503258.2669 1392.3416 1137579.9989 566438.8170 672591.5294 390935.7302 1298787.4866 1308235.4709 325344.8679 1201383.5167 612846.8737 918279.0197 621750.0042 1195084.3078 1353606.6625 297963.0689 1246810.0146 384907.9698 899366.0828 514232.6090 355409.6675 1879703.3322 1624599.3636 819757.0278 2479.0711 712377.5732 359644.7144 543092.6220 186563.9921 2593.2418 2318.6001 1427577.9454 1856.7000 2837.7358 450.3829 1144607.6745 1940788.6090 696755.4724 1193590.1592 973663.9297 1313457.4658 1385875.3396 421777.0228 2881318.7242 598307.5737 306404.5241 317064.7582 1453161.9548 1164574.0983 319002.8145 2524.4886 926028.1097 523646.9490 324461.0315 598846.3894 950815.1608 454020.0076 169107.9498 1716555.9175 1356090.5755 1468849.3450 3922541.3792 921.2889 5781062.6230 2798.1844 1112.3341 2716.6486 1993751.5921 3309.7252 1238033.9116 203042.4570 1748434.8890 2824387.9257 96711.0777 1302.6395 1054634.6210 1178204.9611 794499.2609 1276.7439 2514361.8324 307660.2139 926503.6222 1126.0436 2239.0472 507686.0503 1041876.9437 1163930.3977 725070.6097 244292.8850 631.0645 1258112.1382 847785.3360 993255.5169 368344.0600 827897.1513 946063.6031 1558508.4935 3530.7088 830062.6726 1900096.7701 879136.1025 2929.9988 2225.1767 1990056.2309 625610.6348 376757.6973 322778.7270 644690.7314 910.6398 126007.1739 136059.6851 80319.3553 454185.0835 1015146.4657 1148118.2185 1311677.3133 1114241.9664 1580.9207 535994.9609 912662.5503 4459337.1100 1775195.4722 3473.9728 4609382.1664 350271.3817 977416.3056 857011.3885 1149104.1600 1038803.8158 1455010.1536 474873.4736 358572.6081 1137140.3111 1392286.3709 1021645.3764 349638.9370 938076.8653 1463265.4979 1423116.4262 1117067.9802 1819.8241 258332.4955 1855763.4704 3511.6466 3990.4113 351053.1619 4984938.7480 3998.2226 157555.6758 667477.7959 818.4296 482199.1314 756361.1662 744251.2489 1192857.8652 1266775.0435 689358.3797 1320116.1557 2338635.0556 1823072.1373 1798282.5747 1256041.5165 2243388.9315 898616.9850 417701.9822 364854.0751 1366387.0369 1175301.5919 1462226.0810 15969.0114 126591.5896 1032728.5333 1173170.2968 1100530.0514 706841.4106 688635.8496 1444075.2320 604427.7097 513455.8186 796552.4271 3102.8415 4847753.2454 3077.8674 2868.8281 2579266.3203 5099115.2499 2008.2167 158625.7069 1936604.5576 515140.7571 1585893.8565 24873.1214 746406.7033 723794.2948 1418871.8645 1539498.7756 1040232.6922 1301169.4873 2382486.9994 1163751.2211 1044457.5927 433099.6617 3077.7361 485566.1949 132.4824 1276382.1261 975334.2417 839862.3348 413701.7707 710807.9144 965479.7270 1181255.8186 964914.7991 518734.4747 876331.7544 1617161.9717 268467.7950 611840.7506 611749.2575 1904622.2826 3004.6825 933451.5823 1010884.7963 1036914.0429 1273750.6289 1505267.5026 416615.7731 377814.2681 538275.5234 1160329.5816 1612964.5230 953331.7009 164796.9856 814106.9057 743344.7006 623544.8520 1070200.9624 1536581.8571 859135.1858 55384.5097 785798.9497 2510.8748 1146360.9224 468760.1288 1519758.9369 1706086.6078 241445.6228 299351.8651 68426.1924 1565249.3826 143101.0381 1908088.9430 1218690.0101 1293065.7726 490244.3404 1473048.1570 1581729.3293 1672033.2855 259.8125 977114.0272 1159241.7683 1375.9163 2443.4814 2385.8051 325447.3145 1583863.6351 898.2317 1214821.4731 1233542.1580 990741.8731 1063446.4801 1460300.8759 491688.1017 351933.3729 370783.0716 949756.4084 1228805.5562 907426.0766 1197112.6754 318960.0714 1655907.2453 831004.4914 650051.0607 1296988.3111 1539913.3890 311326.2001 314835.1729 1186563.5225 1643590.1354 74956.5423 1649285.1504 1369728.1468 1249306.7363 164452.4274 617.1842 650378.4979 536494.1191 1435555.5920 3374.5394 1458356.9206 976723.2914 2334.7370 737373.9855 1842.6740 481124.1181 664414.7581 1887021.9652 386042.7505 1985720.5069 1484601.9904 1436870.7079 1106321.6871 1070531.0404 498937.2162 695790.7657 3601311.4418 1075576.9795 1055126.7140 1699846.4264 3700.3089 1179444.5762 927377.1911 1218070.3573 1390967.9470 2479.0623 5399640.4045 1292681.7473 472306.5223 4967774.2001 2007687.5885 1171019.4089 940302.7338 915255.2795 672234.7304 1391773.4227 651019.3177 949695.2025 1138983.7940 239095.4483 1698479.8719 232.0747 410426.9425 1229618.4104 1548447.4998 1853994.0976 93826.1528 819970.5385 1568160.8451 1260024.6544 10993479.9974 298977.4602 1730962.0531 1251456.9543 263780.1134 1118688.9105 780426.9007 1244866.3953 1015641.8634 250132.8426 646313.2355 1126133.9460 888616.0176 446855.4080 1261156.3840 1776475.1756 541856.0178 1727194.5260 1242761.3730 651564.2618 1365967.4524 1630821.1170 242630.4082 557233.2992 1599711.7355 4395689.4875 222393.9366 1606776.5971 1314801.9935 1022642.2367 978116.4478 1587563.1844 936112.2175 1188773.5988 1479549.8365 511133.5724 1104214.8174 1315882.6856 972897.3198 512047.0310 1251146.4555 1433116.5949 1121829.6980 372457.6638 981998.7022 1107997.6047 385587.1895 610124.3391 1545588.6824 443873.5886 226343.6269 1343701.0254 1605823.9013 1619550.6460 1869875.8453 469825.9098 953562.7941 683920.9308 1168031.4628 591480.2043 2740.5544 2731540.8094 4895000.3435 1761.8807 1351197.9847 1467399.7546 1360.2313 1542835.2411 458843.5770 1076609.4297 598161.9764 1045798.3954 1286736.3665 1467159.8046 888760.4476 750893.1675 805568.5987 2001.2524 3190.6865 5450795.4644 766321.5754 1887720.2268 2350.2357 644714.7945 1163137.7797 190626.7315 747674.2958 367633.0709 1308195.9576 1187382.1905 831242.9384 Hexose1 54880186.9575 36172817.5478 22750802.6276 47502184.2894 44977060.3135 42923514.1311 21696372.7810 46303031.0322 48600929.7041 83995508.5362 23848767.6885 44958005.3461 33001129.7092 58365269.2248 48858020.2256 28195392.1823 70024545.3594 44004861.9851 48135685.3470 33990666.2796 17388839.5531 34240516.3695 19303896.2644 20036357.3255 48290092.8709 38903435.1191 35796609.3070 32704538.4039 45261929.9832 29078594.5211 22749765.3023 21011712.6232 48016939.0102 24179211.9628 37664825.6366 32189172.1428 42013728.7896 27649973.4887 30100941.4442 49640439.1937 36489129.5422 38160455.9315 37129794.6736 25891252.6319 36211975.2075 43335559.4955 41779138.9227 48755901.1367 39219878.0766 54255980.9129 26754445.8964 38648885.3200 23854605.2835 51553469.2866 31527042.7036 33335657.0385 41669324.6857 46759347.1706 26979295.4938 40567985.7852 43746660.3882 23724669.1228 30425586.0624 39044853.2132 29103346.7056 51123822.9265 37545800.0584 17833939.0292 31474255.5556 48830392.0274 30914211.4893 31243776.0003 41726480.0398 41331908.1173 30007393.9129 40423378.3934 30013180.0681 25879318.8936 34089800.1131 24586957.1690 36483520.8947 28381610.2886 24516693.6487 41863767.7699 54832457.8509 65917830.5075 33337496.5201 34268022.8353 35550500.9357 36226435.2107 34006067.6928 28965446.4025 40844226.5618 55633240.3769 28403324.7505 15922098.4061 30266127.1453 37975855.1852 40588844.3730 40173286.7440 28408879.0431 37098321.8828 31325917.7170 30852675.1017 34913546.3189 44519784.8243 28259407.6791 29499315.8416 51968253.8345 26264629.4953 25734161.2881 36569537.1323 33622544.0805 38860969.0699 19813143.0417 33248853.8766 13172041.4663 39497859.7932 30784609.0553 16735495.7026 38643143.4690 28884659.0378 35792942.4146 55192999.7170 31734915.8061 39929892.8861 87494768.1396 40753173.2198 36751356.1760 61490611.2579 43004217.4932 31951174.0779 66097695.9227 25678672.6913 33766708.4474 57163739.1123 36112919.8323 33997341.9309 50795501.7713 73644345.4554 45472043.1397 44878283.2405 43452083.2500 81881847.1766 29218098.9605 40980177.0030 21229141.5815 56562041.3321 43603905.5172 31213230.6193 32653660.6890 32275710.4223 27534536.9475 48560622.3678 22259817.3318 13158386.3518 38245154.1836 26861411.8630 31922977.4810 31163607.2820 38791265.1742 54144292.5134 51660415.5176 48066788.4428 51470457.7484 24557711.3544 33146587.9882 26600194.7815 78245658.3917 40449661.5183 36619531.8800 55694979.9023 23163348.7536 31922230.6117 39569715.0594 33116364.5523 30877843.9887 40560719.1413 38109916.5004 49202465.5113 45031535.9821 36370172.7016 74628929.2860 31536672.1362 36454417.4427 21532564.0013 54341221.4358 50001475.6026 27630957.1420 34630804.6918 41298713.1294 42316147.4580 25629464.5843 32056271.6877 33345752.9416 35347042.2253 28998227.9512 29874739.4688 16270187.0431 26664023.3882 36813423.8428 42983070.3851 43690144.2727 28073886.0267 46730652.9136 42103132.1180 28211837.3390 51129239.5287 35171259.5938 23331686.0272 30553292.0343 25350202.6004 28685742.5478 32016684.5340 61947955.7488 32195013.2566 63635417.5273 22244428.6784 32728970.1070 33043467.4446 25196958.6056 44888881.3818 49878692.5879 36085399.7033 24311983.7050 39629484.4407 37124667.4318 29244455.9495 24086532.5954 30870324.2914 25160852.1269 33687838.1429 33818771.0980 41531111.6534 74152239.6633 27462503.4595 30132973.9631 43054357.6380 38947569.5963 38925467.1388 34747862.6145 47590541.5991 42712225.8431 32291069.9714 27334784.9144 48861519.9073 60221362.2019 57141113.5942 35038264.3166 36278914.4636 32557281.1558 43949966.8438 68367838.5398 21825148.1323 105515936.2782 35309181.4911 57620483.3531 31517023.4569 29638217.0281 65584023.8187 37887658.2676 29155258.1302 29330692.3714 53172744.5283 47551328.9661 70034799.9984 24473616.9787 30570304.5481 32483841.7919 27502768.2224 35521037.5050 42835450.9019 69516364.2012 60070110.7853 31979950.5026 25999093.6389 68782122.0949 37188979.4254 37970846.9167 43235129.7387 26455363.2722 36070488.1326 46426302.2132 54140589.7609 45673626.5668 41501252.1599 39350898.4891 40513698.3166 65335886.7844 53339545.7598 31813504.1531 30550692.6509 58334565.1176 28759757.5167 28156270.2629 42068530.6955 36156841.1134 38997480.6079 25225724.5111 26168649.2959 38234161.7270 54941320.6940 25604913.7218 49511131.0781 61456006.9738 30643369.9320 27213251.7606 39411096.4890 36135083.6093 34887636.7606 28559869.1042 35445156.9115 51397673.4429 24537489.9552 40035550.9854 23206118.4828 34463593.8444 34049803.8395 27713397.9533 30287593.8826 26925995.2804 37148715.6504 26416686.2383 45371045.0304 73026867.6513 32119361.7063 27249907.0795 55538514.0667 36559280.4266 34322792.8665 77780040.7409 29881991.9545 52788589.1094 30444762.9169 55513724.5266 32547924.0150 31452590.9535 24100577.0712 30838215.3748 33392470.7894 44472524.8170 40309481.7825 43544158.0923 42220702.4725 33426986.0224 30622271.9240 26112341.2295 31336717.6215 31323547.0055 88281559.0785 73303338.6039 43377354.2425 34083609.9192 34718732.2334 22260434.5991 51931906.7600 42189908.7621 34372603.8930 24604967.9172 49449349.5445 33642621.7799 29630127.0535 39813576.9904 37132058.5272 23671915.9775 47814338.7656 43778553.6137 37382949.4191 35942390.3444 35615306.6318 41136114.0574 38653956.2386 51216615.1280 35316149.4356 40053390.6887 59590386.9039 39311309.0992 42952523.5942 32713397.0887 36049485.5709 56574792.1279 38762663.8440 38480944.2168 25630377.1209 29501448.1233 37252390.1692 22454370.9195 22864183.5104 35031002.3364 39444256.9981 62251706.0571 34391060.3082 26642478.0469 34503654.2917 42783656.6811 25725790.1898 50145017.5788 32693654.7924 45292885.5617 26222039.9388 37958744.4398 59138221.4087 31719999.5839 34800926.6106 31509175.0480 42546677.0378 30661140.3957 33010048.9078 29718503.9540 36150880.3829 32034835.8585 45465607.8243 49906188.1067 43657159.9421 35310661.6854 30326776.0758 37899002.8161 54842447.5841 37513370.5413 25003983.3393 59275889.6596 27636369.6015 32392364.6818 33127927.5945 44504586.1440 18246765.9387 32972932.6547 37255664.2644 26682425.9490 26515967.2369 26054617.2622 32657092.9021 29293047.8784 29636847.9429 27288445.7304 31438005.1379 52788602.4817 30600247.3441 31821147.7190 29044287.3871 31379233.8094 41757591.9952 35122669.3156 66816623.9301 56881217.0929 25917607.2412 53332166.4481 31948081.3492 52144205.1256 35325960.5774 25629272.3807 38725459.4610 33460993.2282 32775193.3548 23652822.6716 Histidine 1756796.0251 2125718.7156 1880985.4019 2295756.7191 1803856.9867 2281927.7099 1994684.0145 3148174.4737 1900337.4346 2018949.0167 2307582.7307 2073288.1960 2449026.0312 2177334.3358 3148955.2423 2644982.1108 2715200.6688 2158705.0763 3824178.3125 3295355.8962 1531383.3048 2299140.1118 3015047.2574 2667381.8144 2257036.0392 3908350.8763 1784338.3272 1953665.7254 1837235.7615 1911953.0077 1565271.1190 1476284.5279 1773363.8946 2186481.3080 2762787.9268 1659256.6968 2278029.9297 2326201.9754 2525825.0983 5122956.7397 2667294.5083 2112007.5988 2424529.3512 2654573.9537 2605804.5987 2541985.3700 2576468.2314 2762831.2598 1701336.9462 2256464.6049 3953195.1518 2264030.3101 1833171.5744 5161298.0419 2570259.5259 2114820.4193 3004726.7628 4244712.9660 2098947.7138 2705503.3419 2602423.1831 2519547.0768 2789425.5114 2384849.9070 2054431.3003 2286363.9812 2639054.5773 1594899.5930 2108988.0544 2966097.1432 1930661.8390 2907646.8564 2212773.9405 2533721.4750 2881319.4255 2911479.4511 2099210.7543 2695999.6484 3331809.0003 3057657.2166 2745554.8433 3226782.7932 3451905.2274 3260267.7297 2577061.9691 2578873.8159 4102377.6810 2996456.6561 2722646.8442 2134941.9203 3260709.8732 2833225.1679 3554545.0228 6386776.4089 2390270.0758 3275075.3345 2548671.4172 2906599.2402 2912840.8830 3995420.1027 2576280.5507 4031750.4106 2601047.5104 2921703.0391 2749737.6355 2819513.4141 2816102.1977 2902723.7283 2723156.3835 2640520.5174 2533823.4187 4306688.5783 2714842.9927 3119134.5730 3667680.6354 1559312.1474 3869003.8061 2034434.7651 1369705.6118 1520930.8617 2666984.9501 2910699.6960 2611475.7363 2318096.2314 1989265.6970 2303429.1968 1309022.8873 3856164.4474 3532818.7593 3511712.6525 14197584.2766 2101792.6162 2008934.0468 2319832.9798 2562741.4853 2346589.2862 1821390.6695 2576120.3300 2609586.4756 2350755.2491 3028633.2014 1794076.6191 2315334.1088 2500986.3720 1895610.6065 2088918.3168 2016788.8117 2430640.0537 2137440.2086 1945635.7163 1419585.0464 2005067.9132 2366110.8099 3984690.7536 1755908.2632 4154148.3670 2653327.4499 1918229.5628 1460558.4519 2549054.8813 2490436.7282 3184559.3337 2817723.7422 1998697.6034 5368882.7439 1372276.2031 2823396.3324 2529586.3301 4432363.9440 6878851.3316 2015885.9782 1754107.4439 2206077.0974 2249670.3643 3047749.0970 1905154.5856 2633369.6537 3023215.0622 2475399.0937 2696036.1695 2325991.0014 2428974.7505 4617498.0205 2650595.8576 2020413.6550 1109325.7788 2259999.6590 3242793.1292 2543672.6046 1423131.9287 2844265.0282 2378367.6197 2017158.6378 3126371.4156 2524846.9871 3126023.8937 2862322.8026 2216045.2981 3371979.7741 3477745.6721 2774184.8116 3530299.2609 2336762.5274 3133060.3004 3074518.2641 3813387.5231 2926786.1040 2737317.1986 3507415.7352 2701388.1811 3950651.0799 3500681.7574 2505353.1649 2546717.9313 1985928.4077 2982474.2405 2531496.1281 3626103.4208 3743681.0629 2979876.3584 2321624.4778 2945153.7452 3267400.4085 3642331.0863 3063017.3999 2728350.2515 3507561.7225 3124895.1933 2106151.6409 2830842.0037 2713241.2519 2715369.5833 1489663.0100 2362612.8411 2326116.7339 1646448.2371 2081489.8521 3027912.5531 2296839.2765 2323464.9790 2386534.1892 2359371.1655 2488268.4217 2041348.6418 2466984.7471 2053958.5244 2410093.8093 2599937.1051 2282931.6821 3257937.2090 2478227.0498 2252119.8372 1826934.4235 2611709.1720 2937794.7191 2872028.7170 2315138.4506 2590385.0495 2064504.5109 3612469.0256 2206977.4613 1414136.2967 1553389.9575 3069002.5721 2044020.1021 2253883.8534 1852227.8686 2890434.8570 2348716.5711 1881872.4024 2548179.4314 1888744.2010 2113934.0743 2540533.8561 3354710.3211 4020756.5758 4752875.6329 2607975.3746 2857852.1199 2807233.9300 1895857.7776 2114288.0132 2060097.8375 1849079.3349 2951896.4277 2639768.7289 2166382.2368 2321079.9040 5530928.0779 2084802.4493 2411482.3586 2517870.8547 2263156.2711 3450240.9185 3448671.6380 3346889.9608 2125553.4659 2841661.5504 2117737.9822 2721514.9240 1788708.6698 3253296.4977 3618967.5270 2726257.7051 2298267.6661 2136453.8705 4028814.9154 2629917.5786 2996880.4930 2867455.8417 3525964.3936 2784281.3445 2423952.0630 1803671.9688 2221191.6820 3564386.6015 2796290.3873 2346855.4284 3226434.3229 3533693.0666 3170270.3916 2453325.4518 2990277.6307 2505928.5690 2667239.1740 2773616.9726 2643833.6085 3843882.5546 3464165.4846 3216596.6628 2576046.8134 2642790.1675 2767749.4744 2867330.5413 5429395.4771 3002732.0648 4443024.9068 2167894.1229 2632269.7468 3266820.1318 3731070.9659 3187461.8935 3782891.3516 2172778.0667 2557467.4834 4396071.8106 2748451.6371 2253151.0909 2194903.3695 1648659.6899 2202270.6674 1770375.1225 2403107.3419 2387314.6713 2443010.6267 2115337.7107 2361408.7082 2261863.0940 1931837.2700 2152140.8437 1690047.5354 2405834.2416 2709499.1451 2379383.5759 8826557.8432 2307615.4172 2302776.0057 2001203.5295 1955158.8285 2489357.9258 2214000.8466 2368547.3504 1184629.3230 1637747.9851 1880670.5251 2524845.6115 2807240.3754 2049972.8308 2388261.9421 2149264.5928 2386880.7525 1731633.5667 2375312.5421 2299025.4338 2350717.7763 2802268.0979 1971630.1551 3067387.7604 2536830.8651 9136100.0826 3946157.8757 3135447.4760 2630231.5542 2595096.7024 2891429.1155 2131167.2675 2715937.4199 2474514.9240 3059249.7829 2617528.9358 2305814.8321 1986208.0905 2133463.7493 3039346.0395 3010687.6306 2231744.0637 2192045.3738 1462814.1788 2528347.6728 2535087.4419 2443472.9124 2307829.6743 1539837.8098 2052205.1804 1987014.1641 2287633.1459 2268867.8628 3281970.6359 2366096.3688 2423469.9753 2074975.3753 2359773.1546 3351080.1120 2661751.7630 2578242.9068 3041354.0714 1904576.1416 2636028.4525 3207455.2477 2386595.9610 3080158.9227 3035400.3883 2740285.4394 2816411.5237 3442508.5468 4265584.9979 3077053.7419 2937467.1319 3151911.3694 3305481.1174 2676824.6616 3421049.7501 2860025.9101 2338699.9714 1249714.4760 2702788.5766 3390281.3400 2538899.7516 3215227.9688 3380265.5362 2855283.9412 2760437.5107 1858135.8462 2772668.8272 2625497.1989 Homocitrulline 576.1946 25086.2479 8488.7005 17325.4599 18790.9976 19723.1687 5240.5003 25704.0632 12071.4612 6243.9852 2097.9565 657.1476 17520.1280 6032.3247 10346.6649 29307.3371 37646.8827 4520.4639 4645.5012 8102.2817 30188.9769 23586.5203 7423.1451 24813.2113 31887.1898 18731.9718 14519.2654 5219.7029 8846.7858 21890.6919 11430.3728 57910.8673 7952.5511 22751.5358 22436.9387 92351.4152 33190.7487 52936.4473 17597.9952 28955.7087 5412.4618 2658.4724 22013.3166 5505.5868 18144.3332 30256.1162 2668.0960 32781.6525 11936.2293 6228.8666 19594.9265 661.9095 20790.9827 19328.8347 23181.8529 29005.0082 13100.1398 9255.9733 3014.4719 56081.6624 27390.3103 12835.1741 18697.6805 27008.1397 5740.7252 32114.1720 26336.7442 17654.0717 59307.9503 5252.6279 20447.1530 18002.0101 159211.9680 57862.8004 32086.8051 50300.9258 571.4327 27567.6531 9353.1798 19009.5343 14911.7550 39548.2234 10369.2972 34893.8209 10985.9639 8794.2740 7311.6678 4744.4620 18271.2022 22605.9175 23534.5671 24685.4404 27511.4695 12697.1866 13876.2497 15234.7503 85535.9897 31206.0688 21659.0632 52284.7446 21979.7937 12155.4537 11111.5804 9715.7045 25463.4261 24551.6903 24280.7085 80831.3653 15057.6522 24618.8693 14024.5088 96422.4778 71817.4981 25711.2626 17401.5650 15662.4406 25086.6115 3598.2288 25219.0634 125986.4319 17948.3978 50023.8913 18216.6537 24485.3353 21584.7587 37333.3887 11087.4711 5155.4454 33775.8499 20454.1371 33666.7323 18493.4685 13265.9507 4066.9056 8439.3388 204678.5551 90843.4478 23455.8758 75261.8779 89718.7928 33593.5504 130024.4880 27256.7036 27034.9821 14925.3958 6698.9465 80389.8326 30228.5775 167194.3599 18938.8779 2443.8797 63393.1915 50144.2703 26307.1808 18672.6302 27134.0611 7535.1740 18914.0831 193358.4317 24061.9887 56582.4720 18214.5820 19490.7857 17195.5925 162056.5018 21072.0989 7064.7313 41818.0764 26844.5578 43299.3756 20152.5244 12702.7173 5909.9631 23076.0688 179123.3156 90470.3737 25667.7512 31198.7769 85228.8189 27797.8238 258457.1926 29639.4136 30204.8440 22249.6471 2954.0772 50281.4673 24026.3629 51155.1704 23588.0380 23865.8433 60330.5307 28137.8530 17044.3841 25100.9829 20961.4325 37177.3793 10135.4497 229735.6374 19828.4554 11560.2172 8250.1367 14604.0826 8952.2238 58036.4473 17577.9084 14890.6269 185.7156 27352.0038 12770.1467 23934.1310 23393.0692 9146.3387 17206.5443 231596.9609 108501.9529 23397.7984 17396.7179 56073.0725 24699.8443 171059.9616 30955.4654 29656.7546 51802.2943 28905.6054 51897.0328 30406.0721 46011.4827 21203.7474 8194.1181 53208.1555 31509.9509 26009.2065 866.6729 17723.3752 15171.2544 809.5296 23770.8302 73376.6889 42060.3051 21140.9545 13195.9505 4447.1940 6563.5838 7572.3348 14728.4649 21752.8420 27833.3758 21530.2906 29157.2936 23167.3074 4451.0845 20993.0327 6698.7105 27304.1322 13597.1977 86461.6390 35342.8233 27808.7103 10766.3038 163331.3697 8618.1292 6395.0882 12213.4142 21666.4818 18914.4071 28505.6809 14280.2303 15389.6032 25486.4500 53339.1206 21072.3807 21917.0245 35610.6358 21491.3570 19021.7715 5911.1177 43785.1940 29256.1966 9796.2052 29652.1876 18678.3176 804.7677 21724.9587 54779.4171 26354.5104 21823.9851 10759.6644 11874.2529 15321.2985 10058.6493 27736.0634 19634.0061 8301.8577 19255.8105 13687.4334 63947.0868 24311.6135 36116.6905 138322.5195 30850.9346 9185.8415 18468.1083 40791.0454 10747.6821 39102.8256 19268.9141 16832.3545 26682.7659 46801.5133 25717.8474 13958.6776 11869.5044 16740.7274 23006.3791 21802.8260 59714.2578 23198.7782 23698.1274 21698.7284 26545.3552 18629.6108 23011.1966 4127.3801 23467.6729 32765.2967 21452.4234 25335.3582 21054.1484 4901.5323 28612.2146 37665.6753 19525.8980 16022.4442 71107.9352 39844.2855 31394.3102 29037.0340 48460.4122 21312.3257 13752.9548 15128.7119 35777.4412 13805.0536 22934.3753 28400.0939 19205.8444 24771.8949 18694.1198 22382.2524 19201.4388 29333.5002 14886.0533 40360.5266 22270.0294 17469.9904 82320.8614 29969.1798 16923.8440 20279.6988 22109.9931 3713.6385 21300.8685 50371.7091 20524.5506 28051.5392 21482.5172 54092.0097 27953.8979 12025.5984 5589.6697 24886.9709 23321.6492 13165.4558 106160.1733 17980.6615 26570.7613 28086.6503 13544.0826 27548.1045 16228.8843 44641.1886 32706.5614 21641.8240 533.3371 21658.2553 21436.8722 6736.1716 23804.4719 43588.5483 28724.8392 15624.0929 52321.3018 8014.3121 26728.1340 24730.2716 19541.6932 24842.0138 29814.5135 22444.2732 542.8610 23922.5160 23112.1379 32117.9331 28822.9601 42705.4332 24673.0483 17816.9379 50864.5423 28704.1670 35904.0971 13340.0653 12368.4902 25304.0143 75136.7310 28963.1021 31618.7504 21261.6176 72176.9166 13363.8725 27808.3121 5729.9525 25595.9935 15464.8876 33883.3174 26988.2168 19684.4992 69612.4927 32870.0576 6521.1730 24123.9563 17551.7256 27804.0606 47185.4545 38929.3525 19596.6554 22235.9506 42221.9091 14276.6070 41686.6267 32431.3854 19707.4196 31897.7905 25443.2805 33356.7032 42481.5108 24118.4942 26551.7471 21419.3296 29912.5811 32346.7906 23419.2402 36972.3534 15986.5091 19817.2115 9702.3216 Hydroxybutyric acid 170076543.3611 74317662.7417 640225871.2155 81987145.8408 51680109.0967 133129728.8015 456931434.0234 83949263.3743 124814581.2768 56372798.0516 347723265.4652 36462038.4613 146879144.3442 51034466.7246 68241909.4245 580573545.3038 129240984.9142 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127042738.2199 17967760.0387 92259532.5514 187281065.4428 316770993.5912 100751990.3387 58632258.1852 265576931.6558 33086985.8621 37126229.4850 298344635.2088 214664255.1860 286051980.6854 10488382.5258 88668336.5985 16826119.8611 23011335.7525 78493144.9000 150740916.9435 102822165.3086 174996481.7682 22941124.5677 17100062.7799 117749581.8778 83812926.6407 36953514.0433 156045919.3778 238865334.5466 156515330.9867 94996075.1952 172397054.2274 41545419.4767 179874294.1345 14916405.2187 67200036.3442 46772708.7642 695008120.2943 126211198.3790 78793465.3317 65503673.8674 69011437.6157 47126280.1529 133208720.5402 97902571.5501 96765155.3456 64934821.5819 48577220.1373 249014488.2202 930306074.2161 157471145.5559 208931135.3159 256059226.3445 675359589.3636 118913566.3074 236002907.6627 38442039.7166 100534716.6498 94110655.1748 75044956.4713 51200902.9337 56072944.5741 104592890.8591 305624469.0236 151981997.7217 94626181.6396 91280121.8556 219478809.4100 104331706.3199 169203755.5413 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166180111.3219 82821502.6849 116789120.1880 391861138.7676 125578242.2027 30878805.3372 43642675.3363 211515573.1396 114986770.3701 67328826.2552 81888778.1092 69943890.2601 321554468.2388 49737015.2871 88293916.6962 76772129.5348 73197921.8110 40414381.2580 101216506.7377 99957720.9700 140012011.0086 80619572.0939 22522034.5911 77609368.3017 115723560.5296 20736708.3739 25094121.9167 29071852.6812 50572517.5266 37216644.0240 20668984.9249 31750208.2379 74337633.6733 74068603.3339 17243165.2508 12486817.0268 70341672.4637 201107842.1965 415587882.6696 244738439.4112 162332264.2518 52561397.4272 66618442.0582 160128991.4950 103335975.5593 29276321.0213 44078287.2766 119437103.4082 30378301.1739 153307270.8801 186602982.3577 18544032.7459 24239227.1565 96868581.4849 55422120.7880 216962020.6061 88774387.0209 128388037.1425 37454660.5714 81294871.7711 90962073.0423 559653712.4340 52015295.1821 155422021.8911 95230609.2632 69240962.1604 32071842.9990 139851922.5704 207740244.0466 88353463.9260 151602685.1970 326349098.0555 60239747.4959 45186046.3113 110879257.0197 67704148.7385 488150916.8601 90434339.5806 98848398.5974 162921773.3512 218710615.8470 102885086.2169 133988291.1582 148188938.1335 118166680.0998 143720618.2585 29740778.2032 410157358.0221 51894914.0009 227211500.2594 137198302.9819 63724560.1477 84152327.1077 195046313.2683 113293823.6384 81527895.0469 150784644.2798 172840643.2283 50013233.1682 32747188.1482 190864854.9641 109550423.5619 142005196.4108 106425884.5935 118001705.0719 101443496.3762 121367075.7936 70654559.8032 93597453.0594 139842411.8771 45188607.7661 70883463.3719 109574260.4238 49204101.8455 40324740.1668 300240581.2874 92607552.0665 63168811.0720 64372376.2929 88070898.8354 127357537.1003 124059132.2172 135872277.9636 59469396.9103 336603503.4126 31891612.3228 66024530.8733 98124703.6565 78840073.6495 31519453.7320 73639821.5028 68019099.5598 24041544.7635 81070823.8524 259652985.2737 51637316.1551 78676544.8775 18397764.8852 68139326.9231 73699801.3026 130666198.2565 217783407.3741 153987640.4120 78048768.8313 58791668.9812 62447126.2965 62604445.6235 54791818.6792 234397423.4824 75884282.8636 134044792.4858 167155896.9805 101821834.2252 91129037.9233 80145112.5235 23657229.8060 70389916.3522 129035472.2392 32511747.7664 63309224.4152 58909107.2706 19900425.6152 Hydroxyisocaproic acid 612555.1784 12993828.7690 4654165.6206 1989042.1705 6552461.0582 1366.8130 4378941.3586 10474248.9251 2228869.2948 75.5647 4336203.0937 1139930.3178 5601594.5853 3388.8733 848.1353 1192.1197 29223603.8780 10117100.4611 2305462.2525 23266487.4416 5611491.2875 2800.7017 3797243.8281 995704.6313 21085690.8327 9022265.4414 208.6314 3632516.0974 3087.7451 40534688.2148 3264401.9008 2927022.0345 3217601.2861 21944034.1945 1858070.1521 1955467.4394 185.8036 2081.0230 1534.3121 10709579.7197 3931.1836 1350202.2839 2016987.1888 1803589.5135 5278198.0433 1017576.0049 2001750.0323 7978882.4800 1582557.1363 1207.3889 5699323.5104 769197.5646 463.0607 2285.1360 13424252.9423 280913.6979 11221131.9038 2013281.5621 4233249.6478 10149114.1370 17821192.0566 3760.3044 3775.9163 25706715.4571 3145848.7510 2944029.1603 23938808.7028 2843970.1216 3813237.4016 3731645.9807 25383477.7296 1497804.8287 4072565.1324 7527119.5702 1890832.6581 3239.2926 185417.2627 7560274.3801 1987175.9909 4814786.7631 1119.2879 3066034.4140 1988482.2214 6280109.5456 570.1049 1034.0106 3495379.7927 3448346.3041 9896082.0713 1280.4966 3209.9575 31515929.8339 2096462.7536 14481612.4633 1660827.5209 1311931.3650 9044391.7122 21028573.6820 2619.0452 1537.7515 29870317.2066 1231214.6369 405.8824 1765808.3795 1057.9118 35267548.6320 3072347.0017 1465845.6193 665698.7097 26007749.9972 755811.4752 2015062.1442 2990.3028 2140.1074 22685723.6204 9246766.8242 40701442.8598 2798.2447 3616742.8032 2550.3934 3094.7059 7345673.5401 12142806.2148 11689945.2067 6140714.7395 3011614.5096 2075765.9922 3268.7583 4000426.3309 10483006.3517 34631091.3629 1129.9642 1899375.1451 3456.1957 27823863.4681 18995747.0838 2285009.2789 2696.9510 24568872.0573 3069273.6756 27991182.9381 2878168.4395 23649836.6245 29130785.6950 3486.6496 1545873.1689 4562769.1505 4073152.1251 10940825.4729 13215288.0018 1709973.2821 1254829.6808 10407123.1713 15200066.9703 4803774.6158 24833643.9889 2637.2722 1923883.6289 3414.0701 1611972.3039 14590399.0918 13329602.3831 10220909.6694 6392143.3278 18135401.3440 1175544.0268 2842.6708 1861060.5380 3362.5489 19088710.2498 27384988.0972 1981513.7872 3417.8159 283.7672 9931109.9718 1446.0684 6283484.7724 13617250.9815 9873459.1033 17574789.3148 1692.4571 13632110.3525 26485222.6935 1940.6337 897079.7045 2228381.7264 22944368.0944 11328882.8175 1120503.1979 4011820.2538 3019860.4235 1511.8499 3588.7706 5914563.2228 1184.8394 345.9203 1626737.3400 154.6370 6534950.6344 8168497.3784 1515220.1953 4554446.0723 4483463.2536 1767909.5360 691669.1052 1522797.4945 1492768.4911 24420537.6578 814.3050 32664170.3343 1411485.0390 3433.9473 3848.9787 5346555.1468 643.5465 8693787.3752 4339109.7673 1811.7273 1618.8047 2402.7947 34270146.6388 32311790.8916 862.5534 730285.2017 773198.8774 20160669.2013 2367.2796 10117761.9919 5242875.5057 2032.6245 2120.8965 33132733.4874 986058.4179 4654069.4382 2257355.5607 25243.6814 425.7050 433.0040 475.7445 18911974.1185 2934701.5057 1645654.3013 7683327.8418 4535553.8469 2181.6046 5991693.8978 383561.7610 617.9880 21457776.0892 1980206.6229 1760231.4686 3487.8176 5193965.1091 20723525.5360 1652355.7849 3391989.7366 4957690.0577 6215273.8876 4336944.5565 17438914.6232 26716834.4638 7246380.4836 3170488.0585 1249304.0220 6144882.1170 781921.4311 35188072.1645 1373534.5694 3179.9793 3031293.0866 2157.9564 2081.7779 759729.6008 1291.4878 854.8568 2272157.2906 14969351.0271 32918446.3361 3183934.0165 3936854.9525 229.3150 187497.8677 25723894.0996 3447.9592 4877117.4667 15083396.9551 1370.5099 2312909.2257 4440424.0576 2751432.8102 22792170.3158 13601663.6797 4679616.0741 10788349.9011 3765641.5804 7678146.3123 7870946.7263 7118275.4523 9862164.8083 1755349.3047 8220140.1110 3295384.4618 2310.1984 1378.7708 2059143.2391 14986354.9689 2321.8056 8466350.4586 2575671.9410 36399536.1348 489827.3963 1083608.3507 980.6097 2823.7712 37349822.2845 2101.0114 19839333.9549 26622364.5531 3126.7192 1335613.6506 1242942.7398 946013.9769 3500.5817 1167.4245 724186.3819 30342867.8447 30312498.6734 3615.1665 1440240.6274 12873878.2363 1448374.7519 8868595.2951 1756611.0380 1971973.7391 7740640.5693 1944378.5015 3988463.5947 3343.2278 50425817.6458 1842088.4563 2265160.3260 3001.6091 669.2363 698460.7441 2756.2291 294.8599 18561614.9639 1285898.7030 17468611.7344 193.6247 1778.7030 11354620.9696 2789.3518 13486700.4151 4883436.7668 3727858.5375 26356338.9435 986793.3879 25937169.9344 3105.4847 1185695.5541 14394179.6134 22882569.6838 120.2558 16507795.2098 5094448.0385 13309749.6083 13321371.4163 3167306.0568 14898278.0636 19561876.7434 19158992.2352 6755910.6044 7556100.6931 5506571.6093 833720.7189 1395.4239 4586242.4304 9797918.9349 2795.1470 7318569.3774 2671.3083 2886.5828 1668511.3489 31139201.4941 3134.2056 247095.9797 12832017.6508 16297282.5235 10864807.4997 9503845.2191 13233967.0299 3602081.6764 19472443.9306 13389564.4637 4939760.0267 32171074.7012 1693.7851 3951.8128 2842843.2404 31676172.2566 1214.5080 3169.4567 560587.7164 2201.2477 2712897.3778 3181818.7156 1573428.8778 2178202.2432 14140106.0000 1629246.6759 5814841.3459 4379795.7266 6841116.5787 2590761.9585 1741.4964 1505280.9991 5393078.5470 3260.5844 32671344.3163 2716.5855 9066003.1013 2736.7335 27502735.1471 32106646.7317 1294387.8501 2178118.7770 17718580.0538 3045.3662 20487256.4371 498819.0651 26373739.6832 25621097.0685 19913464.0555 2748416.6758 7017263.3189 6962433.1817 2012.1158 15558604.5484 636962.9961 3926.2128 16415870.6839 20328688.2849 3239478.4402 4125804.6544 3869732.0437 8690351.9901 13982272.9962 929649.8150 14269613.6603 1734.2871 2491774.5649 3174.2367 32297744.4626 301631.1330 Hydroxynorleucine 1694769.6958 2760402.8856 1818050.2478 2502476.5960 2118541.7221 2452015.3622 1171278.8304 3505771.1804 1823059.2684 2107121.8866 2944127.0978 2021205.7405 2375670.3139 2181684.4874 2469986.8447 2543296.4697 3761630.0510 2219574.2034 2997362.7117 2449267.6556 3375440.9750 2190798.1161 2886744.3763 2272388.0671 4045488.5389 3683216.8261 2336852.7745 1271535.5222 1816345.9480 2180828.8062 1726880.2074 2673523.3836 2051250.3157 3121612.1807 3250032.4126 3303717.4225 2788635.6666 3191950.5579 2459976.9589 7945980.0193 4896937.8051 2404014.3674 3508529.8440 7290298.9345 2755426.5150 5117980.5174 2159620.8267 6987898.5490 1735559.2187 1891991.0526 8310433.0923 1851044.3362 1288332.0004 3314491.3225 3258623.0220 3478338.2429 5938666.5941 3400463.4701 1867212.0322 3727954.6536 2619927.3891 2926209.4534 3352366.1063 4272098.7785 2068557.8620 1873551.0696 3547457.0322 1359271.8335 5453955.2188 1998297.1925 3074866.1793 3010235.5533 3528380.0471 8562284.7469 4568443.9969 3816481.4105 1608744.1263 3032184.1920 3254846.8158 2272694.1021 2716079.1822 1980859.4833 2664693.6589 3599024.1294 2462074.1560 2636428.8347 4082356.6007 2123681.8439 2815697.9913 2043726.2719 2519398.7605 2570985.0237 4096817.1435 3198976.4031 2918725.9551 2277467.8622 2719909.7561 2577570.2292 3360637.4874 3828734.5322 3199220.2715 3990570.4710 2240872.0475 1437373.2275 2347076.8315 2367054.5198 2274263.5485 3765341.8241 2359811.3266 3853488.4209 2577828.7838 3607423.3244 1547062.9647 2511302.7100 2153445.7051 2125692.5951 850938.1121 2579437.6646 3590029.7166 793177.4342 2494783.7472 3372509.2499 2191982.5473 3075908.0762 2411775.2939 2255385.2645 1981544.2243 2017579.4389 4387783.4171 2716632.8143 1727155.1938 2134654.8645 2383301.7817 1436187.8365 2231293.7274 8658102.3212 3746282.1220 2606574.8541 5621181.0470 3888607.0771 4655963.8303 2209121.1263 2759644.1252 2561134.2383 2558442.1905 2163324.5363 2586915.4002 3077265.7944 7015764.3037 2391619.4308 1800018.4712 4912402.0069 4737901.8127 5503184.2367 2092236.6488 1132263.7485 2155859.8310 2086382.6735 636618.7342 2693944.7649 4663071.5833 2318774.9617 3895831.0816 2546234.2376 8420670.0708 2642837.6128 1645502.5404 3768260.6484 2986142.3732 5480450.9532 2339073.6473 3331739.4413 1295106.6214 4654946.3839 9745315.6397 4846231.1052 2712315.7498 2637031.9680 5445155.7507 3272971.5672 341491.9595 4176243.0731 2502725.8635 5322693.7372 1732844.8511 1863641.9289 2269107.7904 4809572.4314 5509245.4439 4588374.3171 2965001.2165 4929781.8162 2809640.7417 3314687.7371 1149030.7168 2777505.9144 2594906.3881 466467.7575 2307517.7012 2490552.0439 2531265.8794 3252690.7035 3354096.1157 2939586.4449 2883899.7392 3690108.1289 1420277.3670 2439839.6003 2170254.9356 2775221.0952 2748402.4455 2562050.3109 3354951.6131 6803003.7530 4800665.8428 3033522.2919 3050849.7298 4496772.8542 3022885.7857 4378607.9945 2329054.2214 2845375.8090 2754261.4211 3195438.7972 1874204.6229 2238778.0304 3779932.6483 3282640.8769 1600808.5016 2820767.7925 3165853.6520 2701171.8562 2939783.7745 1914803.7289 2138137.4067 1593735.6682 2190909.2157 8016219.2549 4625898.8021 2412404.5456 2587038.4119 2621738.0773 1845254.9369 1327500.2653 2454769.7656 3630745.4062 2438283.0324 2511518.7215 3319626.9456 3332937.9390 3544808.9514 2370403.7763 1664211.8395 3257003.9359 2102472.7587 3488087.5468 4129684.2224 3951782.1170 1878646.5131 2505678.5970 2432945.1033 2238438.5616 3328566.2262 1184672.8420 1904165.8718 1975346.2484 2029928.2889 2082033.8273 2689058.9086 4621902.2726 5824769.6439 2982419.9051 2434536.2347 2338943.4180 4042049.8383 4803750.6369 3776257.1891 3138099.6416 2807611.4302 2931825.9888 2320994.6987 2118176.9807 2324647.3416 4093775.7666 5496027.7507 2405969.1072 2093148.3390 2398213.9869 4149447.1005 2759673.5770 4824227.9260 2278349.7307 1331225.3139 2713229.4056 10500272.6087 3729791.0015 2360328.6411 5025865.5412 2587002.6408 3449872.9539 2914802.3215 9032832.0977 2696644.2713 3600713.0878 2507613.8409 2659574.0282 3839242.7575 3332082.1087 8645268.4757 2797181.8832 3075151.3039 1630870.0751 2112725.0300 1361289.3276 2471867.4900 3645448.9100 3235363.4318 2519547.2720 2193698.6709 3207544.4409 2364328.5370 2880374.7203 2210661.3234 2732958.7315 3040757.9579 2767482.9816 3472413.8007 3047454.7585 3228121.6583 2981026.0935 1159641.5859 1725560.0415 1725333.1546 1544231.4594 4552295.0918 3277293.3746 3989078.3223 1602759.3982 3379109.9710 3126800.4684 4927335.5893 1720971.4177 1678509.9831 1359320.3374 2531820.2618 2687631.3846 2983848.1530 2722786.3371 2420434.1606 2219898.1924 3058016.4031 1789689.6732 2646098.3462 2854219.9577 1566812.5462 5168758.1332 3070547.2003 1906987.5597 2438131.5973 3330119.7230 1471244.1762 2428408.6158 3914587.5481 2850280.0382 4741069.4520 4585049.7701 3591701.7802 2354794.0079 2750814.9022 1463221.8250 2384601.4623 2507871.0480 1623916.8870 4159126.3853 3503563.6232 2553232.9687 2947532.0420 2923186.9593 2623570.8081 2606293.6279 1163046.0258 2442068.1444 2298266.8164 2183427.0189 3248917.0133 5506539.7780 1326204.9162 4294035.4807 4120865.9754 6817371.6605 7627839.2642 8239065.7062 2544160.1304 3033905.3356 3960603.9392 3929635.3379 3255288.5235 3228217.8256 3299943.3524 4514135.9616 2637777.7582 3970641.4927 3296983.2519 5185724.8740 3927940.6077 3121913.2102 2976877.7104 3011783.0315 3356533.8605 3563559.7550 3391263.3070 1940675.1497 1875624.1478 3290679.5754 3390260.0786 3203379.6875 6953379.9302 1629359.6681 3665405.5260 2701563.9157 2091414.6385 2464514.4803 2656627.7702 2670698.7557 3286818.0818 2844316.3835 3655648.2685 3201904.4471 2042286.7892 2360503.7801 2457056.7612 2791269.6408 2765125.0198 3408699.6362 3787023.3465 2557523.2456 2722442.3572 2274879.8454 2768826.8765 2456248.8201 1939020.3147 2235751.3450 2685356.8786 2485949.6467 2206353.2781 4371440.2976 3148179.6406 2430357.1753 3516679.6249 3252717.4734 2607178.2033 1278260.7492 1195597.9668 2722568.0840 3610221.7619 Hypoxanthine 1434938.7018 1344272.0436 1666975.1664 1243283.6529 1523634.2685 987559.9319 1625321.1070 1550277.9093 1996672.2250 1289171.1195 1133213.5578 1119419.6011 2328458.7426 1389454.0559 1599084.9355 1536657.9541 1822968.0765 962384.4332 1543948.2264 3058159.1712 1465282.5730 1417662.6449 1081586.9244 1575278.0248 1613186.0059 2084053.5836 664779.1633 1793336.8849 1330337.5414 1156747.3850 1737076.2126 1220578.4959 1516792.3120 1421667.5318 1302139.2230 1070454.2698 2239412.3996 1260883.0521 2257039.6205 2806208.3569 1686989.0350 1530248.0383 1091559.5266 1481841.8205 1446842.9716 1331175.5045 1380685.0481 1539083.6496 1636972.0684 1351392.3149 2191424.1969 1008939.7455 2243820.2545 1573941.4543 1335349.0776 1452634.5636 1163272.1407 1860133.8052 1415267.7769 227047.1740 1628703.8164 215589.6265 2027083.3912 1544269.9970 2662557.5396 1765775.8536 1556435.1136 2269052.8962 1481255.0210 1639036.8207 1285698.5912 990115.7510 1012417.6892 1769044.5487 1341662.3381 1799791.8902 2455126.5271 1295222.9209 1301834.6106 1749256.4902 2039572.2162 1332445.2413 5182726.4989 1608743.8444 1753828.6723 1303626.0379 1930851.3695 1539572.1275 1410076.9528 2596277.1013 1779539.8169 1444450.4811 2254056.1299 2514533.7141 2091854.4976 1425381.7009 2651544.3119 2180744.4778 1391332.8894 1800323.2773 1566667.5034 2177313.2465 1819811.0177 1506820.3380 2204972.1406 1261380.6262 4130845.2631 1412198.0066 923321.4586 1454610.2935 2497050.2915 1864071.9477 1483614.1565 1568182.3244 991582.0394 1294218.6616 1647609.6883 1617379.2530 1497336.5927 1924615.2122 1853916.1008 2432621.7592 2682996.6690 1010357.8828 1007478.5691 259190.3844 775074.3672 1433044.5098 1134892.2290 1630719.6132 405002.9903 2057450.5862 779102.0497 2169742.6545 1640930.7200 1210587.7565 1431285.6900 1636916.8905 867729.1224 1376582.1918 3226225.8853 1007195.5803 1298877.9625 1223056.0393 1240193.4087 1138936.0095 2951973.6782 1860126.2361 1520935.0856 2018988.2008 1616086.1709 1763041.9252 2046789.7045 2083953.7968 1201263.5134 2855610.6271 2040662.9201 2017581.9103 1214942.9969 1386577.6876 1644953.2725 2586102.6449 1874240.3371 548111.4982 2962959.3250 513013.6089 942112.1447 1282866.9876 1236660.9120 166732.9036 1329920.8168 581057.8669 1511412.0580 548461.2521 3959173.7544 971357.2061 1420978.8518 161808.6461 1980083.1617 1590952.2324 1198043.7362 1407475.3893 1265480.2287 800744.1189 1188109.3760 1210325.5933 1129542.5748 1605463.4354 2099704.2287 1921127.9431 2409120.4361 1718751.4423 1255292.7747 1043910.5572 5248985.6370 2063055.8266 2940884.1340 2298122.7684 1590634.0800 1885583.3863 1188050.7530 1642492.5053 959461.0984 1784298.7953 1093363.4607 2708121.5275 1043207.8991 1173381.2883 1185025.6220 3960087.9096 2009274.5385 1427020.6660 1389663.4221 2273383.3127 1697068.2447 1380299.6900 840578.1221 2424394.8282 1618948.3337 1796895.7966 1126631.8248 1279029.5141 1206157.6612 2543286.1661 1274004.4428 1338967.1207 1694972.9710 1723504.5101 3224924.5132 1343052.1166 1442053.2843 1394155.7432 944356.3746 1760637.9409 1038972.6495 2847245.6043 1570893.4115 1794776.7755 1232592.9259 1836977.7417 2733155.3484 1176259.5964 678321.1312 1700635.4091 2337466.1005 597998.8013 1058426.5858 1617909.1313 1224293.5091 1426719.4120 2796407.1298 1665022.3727 2251112.3009 1423294.4710 2333429.7815 1357209.2060 1848952.3478 2650483.9133 1467819.4066 2554095.7968 2150092.7360 1885265.3888 1524063.5234 2116560.8704 1532470.0343 1747309.8744 1598088.8565 1294201.9149 1635349.6277 1172897.0328 1873075.8654 715692.9438 1678217.5389 1779325.7738 1467942.9785 2853421.5727 3465227.5106 1377586.4697 1031752.1789 1518082.4519 1103071.9244 2220609.0564 1418435.3509 1249956.8348 1387201.5927 1701837.8507 1266678.2985 1046072.2456 61742.2112 1469874.2969 1910857.3449 1420827.4448 2156756.9900 1331168.0007 90557.5024 403764.8701 1922519.8650 1748101.8129 1712832.8129 1767373.6846 1950182.6061 1392534.2278 857253.9888 1158807.9412 2116495.3629 1631303.8246 872933.8152 1796626.7117 964469.8082 1406336.3254 1581586.9057 1254077.1162 1254521.6978 2693818.9502 1269502.7508 1433541.5307 1237271.1309 1599769.9420 1940968.7566 1577750.9258 1221141.9466 1162203.4140 1918939.7015 1148572.2604 2167620.6126 1820604.0471 1651002.0646 1226986.0785 2683454.3641 1789777.3784 500719.7091 2779675.8313 1731192.5530 787725.9398 3204456.1719 3119373.5150 1413891.5509 1400820.6128 1206203.3689 3148965.5863 2072330.5245 1690655.9478 7643408.8423 1515895.6833 1376472.7789 1738268.7475 1741875.7746 1501091.6831 1386009.5933 3487036.1672 2178840.6219 1178279.8701 1629318.9951 1696949.8700 2341145.5257 702997.7629 1957585.6052 980775.3627 1123280.3692 779264.3393 469367.9976 1783552.8333 1036960.5523 1296057.2220 3050107.5856 661543.7503 1349928.7134 1604909.5503 1718753.8164 1840648.7573 1352621.8650 1241312.1826 1598352.8448 3641550.0634 1763003.7906 1477434.2441 1598540.2129 2320143.5787 1462027.7992 871630.1428 1196942.6047 2830196.8711 2006605.2881 1887819.4520 1190125.0984 1461272.0280 689439.7159 1777192.0392 901136.8773 1569512.4022 965470.3082 1781389.9114 444623.3998 1383990.7131 1016022.5500 2599556.8232 1465595.5310 1781351.4098 1840815.5536 1908615.6574 1394671.8085 2025600.8556 1413884.7999 1571772.7766 2201136.6636 1450832.0701 1052148.7047 618783.8138 1082627.1478 2096843.8634 1358286.8735 1512720.5886 1824641.0653 2401493.8417 1774166.5858 2000477.9200 598500.0401 2828374.3828 2095815.9245 1867580.3578 3144606.6237 1728548.6151 1558734.1476 2394186.1223 1492550.5209 2404851.2236 1680724.1287 1841075.8315 1087836.0394 1657064.3096 1660524.8851 1529085.6541 1284787.6574 1579032.3925 2581447.4561 612372.2056 2467076.3959 676702.9402 2847078.5409 1883664.2020 2173172.9646 1490203.2745 2245138.7774 1441582.8372 2233623.2093 3894168.6858 1546624.7867 2274510.9820 1393466.2439 2562099.3132 1724460.9860 3439298.3496 2119607.6048 1533018.4918 1819585.2161 Isocitric acid 255865.4818 439876.1269 250695.0764 467211.8373 374033.5084 527435.4990 268458.8418 365522.4139 591102.3353 485634.5446 422396.4971 279976.9383 393948.5461 368522.2161 402443.8565 466331.7161 527881.7221 413843.3350 286464.9726 394129.9161 352980.7343 390814.9170 505907.5141 348301.3427 403418.2507 641175.3814 393519.6270 142028.2938 301509.3105 326872.3872 208377.2636 495581.3924 536708.4089 484320.4728 289928.4035 351158.2264 528802.9447 526375.1678 428337.1640 985919.1300 434908.3396 383473.7035 545174.4242 350443.2192 521379.0354 475730.8171 296517.2403 403057.9566 402694.5944 340131.5335 381011.2305 238264.5169 446367.8297 293737.3896 410365.8699 378609.8262 433948.5896 194034.7551 298677.9412 485967.4778 393960.4235 455238.2987 413855.7803 381228.3233 216347.0386 535924.4023 486395.0733 193616.7436 397319.4631 975564.5724 356464.4833 251337.7832 382044.1834 450202.7424 827752.5600 538923.8847 305346.0335 460395.9475 353260.4558 644442.6055 408549.3766 608294.7355 315428.5602 442334.5617 426199.9143 396803.7109 550167.5323 318444.7775 422626.4854 577329.7278 506689.1334 521187.7254 456305.2839 741308.7474 271465.3113 421311.5306 804376.8930 433184.3226 515585.4132 454385.9571 499471.5493 500787.4929 445398.8227 374394.8736 319065.6086 442331.8120 284396.4380 489657.9090 361447.5822 520549.8093 294515.0200 446148.9872 498339.8096 561583.3877 399772.8034 365185.0128 1208262.0327 281957.7515 206557.3655 496720.6191 317647.7090 302909.2616 445992.4801 474466.8227 307592.1717 456833.6349 319697.9143 353130.9878 572572.7199 411072.8998 583398.5018 334000.2754 271176.5561 560059.9925 482747.3543 1390578.7738 539362.5142 361611.2127 915962.9052 659454.6147 481901.2269 455349.4488 398564.8886 393180.5825 385378.3001 297947.7195 454518.2368 438966.3824 810278.8492 405206.6807 289523.6919 323794.9385 873245.1506 456790.3323 378911.9681 1300493.6911 279643.1478 520835.7177 690659.5977 429160.7132 353596.2180 604159.3873 438236.1636 290459.3547 1452049.7302 329310.2541 361058.1334 291912.5762 624786.4582 512608.0793 329721.0167 247472.9090 353892.9585 422262.0139 1063462.2749 398459.3912 406876.1493 874654.6287 680540.4838 497203.8712 487521.2475 445595.0548 398105.1850 383260.2538 295687.6160 396504.9742 400073.8328 573084.5673 571422.3582 494452.9407 425784.1023 512076.7683 333024.2325 671193.9062 558508.8384 314501.8528 280997.8440 520430.0532 567919.2572 479264.9690 602757.7959 516727.3318 268788.5949 438099.5324 306659.9084 342743.6856 115546.7837 661099.5622 355285.3748 413005.9467 361110.3892 403342.0565 455182.9874 1554896.2254 520230.5843 444835.1272 592069.5182 382595.3098 491574.7128 612859.5539 446877.2583 582772.4164 493698.9022 382653.0613 377473.7788 469281.6199 342138.2512 593656.5270 498142.8186 278855.0106 519079.8751 446909.9854 370889.4726 278415.2884 352634.8005 260168.4349 364692.2167 380632.3058 455545.6983 332520.7531 408667.5819 203426.6544 375841.3625 206317.0208 386400.2075 349131.9965 314779.0017 387671.0341 515005.2161 295199.6637 329247.2255 388268.4465 329557.7105 402073.3191 237569.3639 796137.1145 398460.9905 484434.3268 281618.9409 1263166.1425 514974.7460 360496.7040 291893.8512 408771.7498 397926.9365 347605.2117 357371.5810 600160.6063 370997.3798 477567.4523 412016.2430 371383.8840 430618.7993 406611.5698 385435.3363 812081.8743 504424.8840 375301.0379 384032.2961 368221.8781 407204.4089 233189.8564 392470.1453 372976.0723 462525.5703 360777.6968 389047.4264 230337.4635 510101.6119 281819.6022 534294.6592 363231.9124 427669.9304 644525.9009 468063.8925 1403767.7724 661796.6099 354711.3558 591617.5202 493623.7476 242470.1284 349007.3254 422529.9350 401380.6298 612940.7090 386376.7270 402952.2618 382285.5772 669252.3914 426672.0423 405129.1474 549891.1606 385681.1245 528312.5582 391541.7936 418057.8472 445768.9241 399252.6286 535531.2495 353468.1847 216849.5672 303301.2130 468235.7813 447394.2033 619304.3752 396508.2962 518627.4148 341687.8893 758657.6831 531040.7363 267821.3235 376165.1316 274440.0757 723469.4473 558639.5009 887080.7264 555604.0946 486204.2572 505713.4364 310257.3061 466230.5819 328296.8872 483841.5618 451961.6041 388457.0748 467196.5204 459393.3671 359149.3107 377783.9719 374063.0377 396482.6759 272941.7060 465334.7829 397165.6147 450230.6110 869551.4776 486527.9503 375484.5416 355242.9694 400764.0737 362958.4120 448410.6968 404667.0553 384047.7553 939173.3444 523511.6866 407483.1166 527861.7160 250677.0009 491624.0476 419923.7778 380294.2001 358362.8222 682928.4677 215960.6585 357678.7467 434385.4679 396899.8520 376585.1129 372534.1317 655113.6282 382116.9220 409501.9269 243822.0958 312008.7433 471302.9125 499360.0530 397416.7025 322486.5282 816106.9404 340682.1343 432105.9887 392486.4003 489941.7150 390180.6899 265602.4115 422793.0188 411294.8804 458344.4917 244266.1898 393413.9138 520210.7597 333997.0845 341549.9988 492659.7479 496246.1562 260123.8801 729699.1518 370486.4636 598529.9312 268198.7457 354115.2210 979427.5922 533347.9770 293675.6383 358497.9242 332256.4931 644567.4116 474871.5118 496334.4767 424089.3461 512754.0572 342048.1555 511834.8122 421313.6293 298069.3673 646883.8702 586550.3642 406944.2001 430298.7779 367971.2079 386086.6982 555569.9078 484162.8384 310162.0533 379978.7870 480346.8053 416389.4954 538055.7113 437966.2301 422450.4744 653596.4534 432477.9644 983749.3754 594747.4309 275902.3417 517096.1714 520218.8900 493915.0008 520039.5913 392080.4951 358289.5849 450975.7055 447695.2116 200865.7099 Lactic acid 352447422.6868 484585225.7951 318187073.9289 439605997.3190 757142780.3663 220752459.4360 359762594.6464 383414985.0072 598263261.5106 490043537.1929 387917192.2017 268115304.8095 453319751.7619 541009882.3580 347654142.3982 347313230.6231 588696397.1215 214124757.9267 376682759.5513 613669756.1389 317339947.1764 330618869.3025 810320417.4331 296162540.4095 556261634.4241 587479120.1667 254575729.5908 385611090.5619 364889583.2011 291092827.2595 232596850.5829 173709082.9870 384106071.2895 363732732.1942 244976810.6442 391315568.8159 657503608.3802 288247442.4149 601383460.1650 761557529.4598 527549440.7277 516788718.5267 417465966.7594 462396189.3078 388744267.1297 508685143.3346 596644889.3994 529118015.3686 559834032.2680 339271049.4583 819403932.5356 231476082.5076 279689931.8607 440326642.5271 333552771.8408 422877270.8872 411176811.1760 404113444.0733 385236814.1972 672413603.5533 447827143.7261 391792261.8163 355200008.5309 387170675.6497 529572686.4758 585746924.8938 413156736.8366 365266845.5668 429058513.3368 413582843.1187 344251502.5605 233521580.8034 305130253.9329 577908903.2289 319766670.9422 406286097.2176 171275738.6804 498786377.5936 759825936.1927 476141043.4957 387236460.7336 404429244.9167 484465079.8160 389710381.6024 482256925.8929 451222535.8776 511596934.6335 354573195.7106 375772233.7773 445537457.8780 370653781.4194 324974469.6088 504061971.7359 597699763.1504 349583088.3638 502730639.7028 628022293.7068 647677160.6701 391578707.1209 334151390.8637 295167395.8917 582011125.2962 538775804.1536 235580998.9771 199122572.7956 407619773.2020 207664633.7148 338694557.2927 326434497.8219 325269104.8842 294333742.6063 626574709.4078 384064854.6713 296882820.8207 255364495.4519 479576847.2167 1411627919.0624 413647976.1999 419387946.8573 386227001.3854 583103583.5766 747453345.4504 483361690.7841 252464897.9364 218880202.2335 381458810.3878 295258971.9402 402081919.3674 331565380.8275 555846713.6035 587593821.9346 542627450.0183 277096416.7496 478719423.5156 293157430.8216 508464767.7385 574399515.7569 479029894.2771 369257818.0584 288952186.3188 994007645.1124 311969493.6811 332628998.6574 402652412.4859 316097114.2488 434624657.3517 854315885.5965 892206348.7336 344157114.5155 334173526.0525 417743069.3210 413789070.3303 481971097.6841 1165878828.8435 397157009.5480 998657213.3089 564642149.0041 554714885.5772 282171722.2679 592075901.2454 599632896.2267 486128051.4512 808522231.2807 324080553.1093 1152890720.6585 172852489.7119 255691836.8694 448643974.0710 599521807.9641 509046903.4801 399002573.3305 191457314.1788 333688246.0588 152350312.4843 631068444.0015 571016467.2601 382616083.4629 470858174.1369 706353120.4633 380316348.4138 278503770.0340 308940373.4470 378502463.5098 440939512.8150 283683662.6821 306611871.0822 344732078.4228 495107151.9492 660247258.9786 326493638.1931 688181478.9834 592877423.8013 240893959.0306 362328077.2608 412854998.2248 367793023.6383 310832254.8780 408317497.2543 915713047.3515 419284975.7419 314731258.8979 496024811.7000 357273897.7335 495429050.6327 289256111.7470 765412163.6802 264975595.8434 508702853.6160 260263758.9665 599308447.1227 325285006.6967 386401319.9707 293110455.1453 474273511.4241 468381975.3623 454773773.6771 241490186.1719 357849475.6795 288301064.6591 480595188.0384 313888378.0634 417930362.8123 425652882.8706 412493070.5655 372695193.8472 758470320.7424 415267930.7413 321444907.6704 265448205.2774 235528747.7993 315212180.6788 323354828.3220 175440926.6244 469103820.2571 182889352.2485 515409929.3234 432958307.8648 473135255.4484 289887606.3358 426749651.0454 456319872.8249 373702517.3034 505882933.8345 247536550.1466 653073867.9831 322549831.8839 202363664.5677 386121669.6213 444553390.8870 440689172.6950 581550475.6370 341992223.7616 484308959.7010 515395619.7559 627249216.0232 359576726.1701 369689916.6748 677965225.7493 412108158.8640 671734288.2719 695517090.4880 472780414.4904 637200552.0237 608573778.2190 328457783.2216 407200689.1760 338659600.4404 346301725.9305 379655153.6969 276197148.9186 383867174.3991 414064486.8977 546055041.1173 435385449.8280 545138143.6464 837411373.2541 905753034.2176 354880104.4318 222253441.5658 488020217.9585 220237701.6419 608392671.8230 398563201.5128 328793043.2636 473656236.2956 479519113.1338 281309434.6861 254033662.9557 1010218984.5710 356965314.1378 600236377.8648 302718999.3194 448339854.2391 621939537.5689 694283624.9276 738095166.1744 632413719.3683 415249502.0186 483921785.9112 345629182.1833 499638974.5369 621282458.8146 673580162.9092 341468301.8000 548966055.1347 434185958.2482 341655627.4286 577923180.6208 662649416.7220 418674541.9813 424323296.5340 250322930.1615 353432180.5780 332385890.5351 302288741.9957 344285998.0188 355141347.9562 406846971.5130 597987452.8363 651693336.8339 460697302.3693 234474484.4681 354038000.6137 339515680.1531 675387429.2767 677245235.0596 299975718.2111 472687062.6663 644795969.8779 433889112.7858 235171639.6923 270567337.3879 290159119.5747 385742758.5672 893415256.6096 441240799.4356 300334874.6359 288016600.4871 284756357.4346 232822670.3666 469303924.8692 593158422.8314 912490450.0271 271045433.2984 519449073.5952 300095726.2791 478298774.3087 450616113.2638 361360116.0493 375825173.0930 603793470.8438 333380908.3332 451186924.5159 482924155.7438 503760102.0697 341013771.0015 498500754.5198 199173061.8636 303815905.8722 323970789.3512 120049558.0838 463336837.2635 313004746.8926 498171810.9901 1596388966.4323 407135941.5544 364600576.8478 378072144.9364 420039216.5191 418101260.8508 357206570.9239 361171650.2123 463613488.9927 741033240.7614 298857432.3221 489082329.3936 683194292.2789 513977419.0904 377409731.4290 243623728.9014 266709717.9118 695090914.9705 370593476.4532 445088745.2017 524006532.3777 397396591.8651 137486403.5682 682149488.5540 409914606.7267 1397446527.2598 345475722.8643 580100432.3929 349945226.0705 391996585.8801 617492530.2865 527058358.0579 540865451.7984 581360645.2025 537437067.4254 418304457.3302 516685154.0083 502013054.4650 252744719.7739 509277715.2292 770442275.7969 479653404.9371 190992580.4021 409206614.6517 576613110.4543 464921516.9672 431155385.4929 346543481.6946 534353833.9192 610742493.2720 397186064.7746 454474160.0672 376972943.8990 654356834.1640 465639636.0294 657658490.4796 484721264.1400 474872399.1022 590332213.2448 436093376.5776 547928001.3192 420929973.3759 294853835.1461 354629903.3971 307033809.4430 426169897.2328 224360131.8888 427785331.4630 355393541.2681 400743208.4642 509691549.5311 450781792.9196 563962904.1591 147841740.8484 614280386.1053 557753920.0801 383441092.3964 353562989.9678 391582085.5687 425554074.8843 451791658.2582 568724222.1936 484203513.2821 644919075.9285 289362704.3292 540629548.9318 462886728.0930 704348676.7104 273141978.1460 438826033.1276 273489350.3325 L-(+)-Erythrulose 90181.3878 1489262.4620 1118626.0566 536044.1967 497357.2175 829498.1074 444823.0663 729013.5193 489157.0862 450621.7017 638790.3563 37279.9977 687751.9905 406541.3189 440586.9642 1414077.1221 1764111.2355 1358891.2059 315976.0431 2670273.2138 842306.3224 1788419.0519 735561.8081 452936.2505 755432.2929 1838800.2156 421686.0449 250412.7355 456235.1360 287780.2592 613791.7508 2279141.6331 498415.1517 394763.1258 665738.5882 1234877.1469 556459.6633 377844.4848 901905.6205 2217925.7609 749305.5788 245572.4649 1830410.3259 909088.2271 937079.1285 756795.2362 529561.8993 1009303.4414 594974.7651 545348.2023 1820740.6690 15895.3660 746342.2651 445312.7699 923603.4644 1050033.2174 1776185.2698 352540.9208 1176392.2928 774161.8432 1009546.2141 833354.3570 385538.2771 947521.9336 418965.7188 763956.3201 541634.4084 1441919.8360 1705244.9393 609483.9979 335806.0782 555424.2775 2344730.8790 1023666.8589 836740.2374 1243883.4561 52887.4407 577272.9415 418725.3050 1484640.9558 416419.9374 816491.7580 394590.8760 466332.1329 453562.0647 540429.8022 460412.6616 41855.1513 898082.1539 615395.4998 486862.7570 360159.0988 758770.4056 867688.2906 213707.7144 317032.7543 773940.5725 961064.8888 1082285.1441 374920.8775 622580.6989 708963.6148 404157.0019 221100.8036 619765.4840 331141.6317 552027.4665 281038.3176 111955.7418 462792.2274 566098.7326 349419.0143 616559.5342 454170.2746 919714.8985 1181310.5018 550834.4885 334550.5411 1182376.9184 472446.1555 331481.3354 1436763.0027 1309840.1937 1128226.2789 312960.7287 1017906.6443 653767.5947 500320.3525 1005664.9210 1239807.2476 1560951.4224 420625.7280 524355.1843 401786.5923 1081072.4133 4140637.2160 1048856.1901 1137581.0959 1680426.3521 1404964.0192 2948346.0179 495878.9020 1122794.6678 807081.1166 655125.5600 862430.8366 391195.5854 1813924.9781 8180039.8255 566488.6963 144281.0574 1092906.0269 5540140.5667 809409.9789 2142200.0282 438785.7408 442207.4726 305479.7350 930599.8883 890584.5726 6053807.9043 1028753.9697 1245835.1922 693381.3235 6817416.3877 1023844.3890 410885.6381 442591.4340 1747708.0524 1242237.8118 376241.1827 1046076.5110 326867.3107 893886.2308 4037289.4333 832925.7996 1008793.0494 213640.7348 1310248.3012 1535818.2329 1157897.1880 1590063.4767 990617.1854 1380359.2189 875421.1651 311814.6997 830219.4107 1507525.9881 1343418.3374 1268318.6691 1109138.5929 2001322.6202 388475.7492 4209712.5939 306184.8322 685463.1579 135074.6487 634617.9207 822387.1078 1867065.4346 337154.6506 584134.5974 117453.2067 461537.6435 128893.9428 1507545.2847 193981.9572 571641.0443 398497.2459 289755.1711 292866.6285 258452.4205 468559.1566 1024764.4993 903957.9450 422681.6552 259425.1519 603033.3430 377648.0038 648094.8670 697629.4790 472614.7457 582405.8974 338593.5804 18799.6510 698519.2602 642637.1144 420298.4962 749737.0084 394704.7322 1136555.8451 567270.2933 143959.7740 1238433.0222 674565.7184 420526.6602 990422.1384 2832222.8704 451789.9847 553695.2302 446950.2568 674439.3234 663488.4446 775908.8101 509007.5687 728526.7050 654266.5683 2777655.8536 1209203.6519 219661.1673 535633.5317 344092.0643 969622.0851 446251.2940 5357022.6181 1834568.1133 1406876.6243 1578253.6234 1000232.5821 601473.4309 1159368.9862 471677.6442 643735.1859 630072.0751 791555.2078 746993.4968 1264191.8085 1338456.2752 1361591.3903 1980589.6451 495224.2882 1003193.1379 430414.4896 774627.1621 743396.8928 3469624.7049 674579.1656 849467.1617 2934822.5802 755910.6935 391618.0942 639290.9620 1124728.9003 618477.8489 584919.2166 702709.1425 2008062.6537 819220.4205 3008268.6069 597054.8724 295537.5183 1094829.8296 1079005.7441 3250707.3937 1190935.3905 3971987.4272 913404.9729 870476.6314 1523750.4427 1266282.9166 525098.8830 714711.6065 2725843.8214 796632.8338 1291657.7671 1024504.9971 1034457.0362 416342.2488 113699.6937 419956.1000 440643.4583 430638.3776 589591.4339 366077.4828 432529.2354 452466.5042 287126.1448 168121.6646 142422.2690 523899.3405 402976.6687 477994.3479 367281.3100 843814.6622 362261.9343 108972.8795 343120.1617 348511.5785 1261801.6855 343843.5131 2149671.8353 845443.3280 805664.1592 2382372.6976 695888.8411 516700.8287 403197.2753 847190.4353 299350.1459 506414.8792 985619.4639 356757.2347 412539.0579 532619.5323 83589.9302 438505.7714 593440.3697 914895.8014 601782.1580 910014.1658 485119.7365 1340867.2948 1707761.3135 1033676.1715 492797.7015 510089.0222 437481.4962 1080705.6628 1108266.5932 1820962.7043 585388.5953 1801056.8588 123547.9540 691909.6830 1422800.4023 527701.8547 688856.2135 971107.4339 907815.8971 395531.1145 4491190.8432 378369.0965 549796.6537 1514183.7229 581335.8133 1052583.9959 541181.8523 507178.4552 896916.8848 1060639.5868 971696.3918 640488.9208 932627.0798 751080.0729 1681187.0060 1804859.4096 1574497.5906 410820.8145 882288.0574 651487.2261 1891774.9662 1198431.7961 542746.0942 598451.9111 1133535.8903 1459484.4837 1001878.0540 440457.0466 734196.0181 689920.6160 1247343.2259 959882.3705 616986.8825 482365.7222 654325.9081 612431.3241 1656616.1811 516009.2156 514312.2920 725053.6176 1862056.5653 569926.3916 1218274.5829 1141358.1282 487983.3212 838519.9659 358295.6390 456080.0893 404449.9655 302465.7947 345779.9139 381873.9238 122984.8525 329596.9203 2009407.3506 387426.3369 416772.4229 389931.3824 459277.4786 576679.4184 648932.2464 1201200.1313 100941.6981 728936.2749 383627.7773 481538.0085 176531.6025 347790.7583 1475739.3954 394594.2629 1771570.0266 837079.2260 404287.2667 459428.2237 375901.3164 248452.7515 710830.6986 760527.0893 140860.1259 421254.7687 608477.0427 79848.0230 Linolenic acid 275.4052 210616.6052 11890.7100 193963.1638 20867.2704 8540.6796 155399.7765 226916.9755 167964.2258 34403.9534 91685.4546 64028.8775 159787.9219 216763.0087 296119.7991 109134.2997 364280.2507 1608.7832 44575.8919 312233.1758 13833.4995 152386.8271 186634.7040 1815.3336 196825.3802 377874.8456 3043.3590 76357.5852 102080.8042 219778.1725 7560.9558 273032.3578 189628.2229 60912.7982 55427.5786 8235.3387 12086.9949 3514.0342 115634.6869 285352.1613 2420.2535 12663.9916 202753.3357 12683.5969 93782.0841 5016.3508 80730.0918 3692.8625 131777.3004 59556.1889 34814.3337 134926.4745 89389.4198 271763.2855 86496.4500 20611.1870 48177.4291 132806.3149 122408.5839 59963.3849 153111.6490 228558.0027 75318.7487 216781.9592 62746.4004 333181.9577 92607.8166 44853.5074 160341.3632 116047.4096 594.3199 129699.7383 60493.1550 165812.7515 37042.5895 44196.6815 18403.0156 205300.9626 152915.2498 111959.4454 182920.8550 76782.2738 189102.2493 99408.6803 30556.4468 147629.4736 58863.4661 1798.5129 156416.6035 53411.9291 262509.7594 30840.1129 324830.0985 1005921.3976 111917.8707 824.7576 142740.4376 3531.3049 206172.4258 2313.2126 147542.4137 8623.3470 170194.9101 202207.6285 88085.8477 172023.5796 111540.0432 57565.3742 2601.9849 69429.2914 219821.2352 146237.1897 225704.0294 103280.8622 1308.8965 85612.7907 1568015.4777 2130.2646 23398.0920 1387.3803 190831.3693 842.1961 61562.9516 99733.9905 21685.4988 85376.6422 34549.0916 141054.2606 131980.2426 44391.2516 55380.7819 198463.7019 5217.3180 332388.6447 848454.1801 457982.2417 64141.9457 7090.3053 21067.5435 77868.9388 264719.0246 301346.0786 64393.9460 3230.0674 43462.8494 101653.6878 328283.0149 250146.1429 62590.8622 66722.4312 50242.2193 48655.0343 157889.1391 58977.2131 98341.7078 817933.7693 3137.0970 32908.9869 517818.3014 158621.5426 248.2870 72943.4429 75096.5141 43019.5832 191935.9352 3484.7122 3034.3441 1820.6792 718.1015 27153.7472 210671.3802 36354.7809 66784.4730 75071.4893 124028.3978 60772.8976 12.1793 10571.6727 73514.1109 256851.2390 150101.5101 62249.8293 3953.2487 41805.5699 125329.6609 197154.2765 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8492298.9987 1399269.6599 1206331.1912 2554980.3710 1512531.5705 609954.9523 1388153.0469 3826912.7228 6468185.5701 1682588.3430 1522720.0527 952012.1748 1433612.7183 950765.5655 1312294.7372 1117854.3165 1608326.9597 2413008.9834 1511263.0036 686072.4591 1480959.9179 1636049.5726 5220805.7365 4658757.8794 1708129.8462 4174885.8043 7937025.6238 1846071.6802 1888359.9987 1537476.8996 1626950.2702 1414206.5654 1151510.9899 1663188.9105 2192429.4851 1552064.8046 1348686.1629 872018.3358 1575734.9966 2609423.3588 1951416.3912 1321311.5266 2219937.0264 2246336.9024 1093249.9561 1739450.6166 1701823.7589 4906405.8745 2784038.6815 1628248.6400 950949.4706 6012480.7060 912606.1132 1323489.4973 755006.8035 1918259.3818 1891575.3687 1429085.9639 681690.3484 1189933.6592 1601577.7968 5875890.8143 2896477.8991 1573916.1109 6881642.9225 2564423.0674 1430858.4826 1920031.7510 1654803.7247 1542583.7586 1510337.2897 1079559.7316 1134190.5553 1701668.7400 1630539.8688 1673041.8459 1120472.8657 2434688.7887 2858219.6698 1337879.7072 5620242.5196 6655517.5218 2447698.7245 5111179.7189 1518528.1906 14254776.0430 7497429.6877 1985448.0797 1613092.2675 788895.8455 1325363.3435 976887.4223 1416938.7548 499084.9792 1855997.7076 1151843.1334 1576712.6724 733881.6076 1264517.5976 1681411.6013 3380673.2043 5104385.3295 1674809.5736 10568047.7514 2628223.1670 1376292.6039 2608018.3147 1676895.9750 1687257.6479 1689491.6188 1184085.8739 1244031.1477 2141875.5470 1450644.1186 1506074.2145 3216943.3580 18188902.7811 8378887.0604 1559588.2941 1083618.9812 1599342.4470 1421861.6365 4474700.3335 1578792.6066 1243753.0478 1598324.5618 1577170.1420 1572113.3956 697688.3067 998280.6261 685716.4053 1502895.4000 1533544.4783 1201016.3991 1579323.0521 1817795.9125 1178561.6843 1049529.6050 1532132.6149 1059276.4224 1573909.9853 957145.8250 9078896.1322 1594423.7489 4256885.8080 923934.8782 2484386.3011 1871374.5031 1076014.1571 1115875.7500 1721175.7936 1563479.3513 6757798.0637 1475591.7136 1334852.6727 1548933.0705 781255.1902 1327344.4127 1589950.0302 1553422.6361 1573835.0056 1174234.3845 1927883.1473 1942149.8226 1658906.4473 1140450.6871 2429385.6662 1402956.0197 6441976.0788 1565504.5133 1175558.1164 1588200.8357 1636585.4853 1608789.3984 726026.7156 1652008.0351 918584.1541 1765560.2930 1473930.7722 1207874.5896 4567789.5906 3209882.3622 18424169.0977 3098481.6867 2216367.5556 3922053.7994 1765639.8559 1140484.3097 1860759.3212 1904195.4915 1552091.9750 2996280.7869 1572011.1072 1263249.6818 1666431.3610 1455553.6652 1659435.8448 1266156.7743 2777353.5181 1500552.3140 9393842.3692 3230121.9181 1144026.7624 1694349.9390 1705233.4437 1671344.2932 964564.5576 865595.5512 876946.5608 1256564.3365 1537783.4987 1447297.4725 1697087.9486 4552603.3075 1264860.2407 1342439.7150 1640103.2828 3232253.4832 11276235.9518 7963848.5301 7774068.9370 1983173.0185 2828311.4323 1967460.3575 11064173.1800 1475314.2369 5588416.9080 3343523.8061 1400316.7506 1805999.8360 4265376.8947 1547946.2945 1417538.9422 1642032.8352 760643.1159 1536106.7607 1442257.2465 1612075.9019 942149.4706 1611191.5445 1704230.3126 894351.4227 1405020.5069 1752448.7401 1317190.2786 1474426.8159 1431722.9881 988967.1650 1573222.8931 1503084.3138 1682114.2312 2739527.5407 1290202.7825 1369539.3714 1312384.7504 817766.0645 1434993.6548 1659459.7131 1628975.0099 695745.2822 1964650.3850 787494.7235 2078794.1304 2456811.8708 984769.3307 1579427.3942 1312901.6971 617872.1089 1623966.0289 1578565.7478 1007666.3606 1494517.1435 1487323.1937 986716.8183 1713970.6744 1534572.0672 6727284.5577 1581934.7251 1416713.4624 1459035.5114 1598093.9078 1687069.5414 988963.1925 1932808.3268 1688835.8232 1703997.0499 913764.3902 1679160.2284 2551031.6306 1336309.8915 1057802.0479 1910078.6302 1754084.4862 571360.9979 1524868.7816 1667012.9989 1503599.5529 838154.1947 1394655.4203 1016568.6096 3854931.7465 910596.5409 1599047.5089 1370371.7800 1722505.1597 1475911.8743 1730183.8953 1467499.1708 1542475.4031 1001285.7862 1605851.0570 1736334.3153 566821.1561 1496036.3032 3486059.8127 1421921.7318 1610955.2375 1212574.5989 1480760.9212 1588879.3616 1675839.9030 9186805.5801 1802703.3032 1488643.4125 1458206.0060 1591251.4138 1026946.1139 1285722.3676 1736785.3242 1589168.8363 10344568.7510 4669861.8311 896214.5343 2202362.2011 1826494.0555 953444.1900 1889026.2080 1423656.5465 835483.4448 1370405.3578 1580633.0668 824313.9626 Methionine sulfoxide 84664.8744 84314.4261 20687.7644 138580.9185 85764.0673 43714.2728 342672.8349 110962.6993 157699.6501 124127.2527 71576.3245 57146.2831 67598.9773 104216.3157 109967.7320 73827.6820 91508.7862 37788.9852 132566.1154 73233.1231 210849.6215 70484.5341 230619.6339 84762.1421 114798.4156 72227.9872 78756.2840 217445.3890 116759.5334 75776.9724 67882.4655 85900.0313 60388.7125 55653.4799 23794.5420 38329.1194 172076.9521 62275.5281 72181.4608 109994.7663 226074.5531 61289.7726 82279.8704 30086.9025 124238.6103 101181.8756 132912.7243 68541.7347 142191.0398 85989.0472 129291.8313 39533.9151 42204.4150 176711.9203 66114.8117 45470.4210 64168.5224 132771.7158 38314.3411 142323.1650 74521.7790 115134.8497 54832.4368 143750.3977 197520.2721 109476.7177 98103.2699 100358.4528 102816.4299 62136.5821 63927.1121 35596.5568 78581.1258 176765.5492 98371.1394 67317.2808 143025.1987 66536.9244 23389.4961 167949.1617 37198.2599 73625.4972 228875.0105 34227.6838 179009.4601 16208.9047 55271.0898 49779.1066 58090.3507 34392.5652 63313.9874 69981.5747 48859.2306 26599.7998 18065.8267 21950.5410 500879.0134 73988.0762 162441.7427 86107.1983 132249.9033 43234.8616 56529.9654 145986.6772 112651.5619 95632.7923 71971.7109 93894.1268 29296.6340 72664.4638 14259.3480 66514.7655 83263.6125 73009.1203 123024.0999 63880.5552 156232.1258 305874.9606 125841.6509 60886.5002 124598.2548 183297.8422 151072.4996 76396.6033 105959.2642 74752.3689 55433.5292 83182.6670 159374.8780 206352.9251 127499.1643 103904.8389 18559.9965 45524.1880 44646.2081 312386.9603 116695.6721 72604.1235 174568.5209 43042.8468 112246.2140 175671.0542 85013.0349 109313.7887 49681.5875 79374.1608 190007.3368 104675.6736 86082.9511 53582.7761 97453.9061 223895.7346 454342.3394 69203.4788 73661.1979 144628.8567 314346.9122 27441.7380 9401.8622 79169.3427 139162.8685 83029.4561 60738.1829 54235.7472 125458.1763 7120.8900 21514.6590 125748.0034 154882.0395 135118.3035 103438.1418 31613.1555 55239.9184 32141.3310 192952.8667 104357.8777 77370.4873 167570.3152 67165.6786 111287.4708 198831.5046 67354.7692 191523.6084 30715.6411 38176.8805 54238.6672 69083.3088 79225.1595 88657.1087 27729.4067 144929.6726 217432.1885 8180.3041 71961.9847 77187.8571 91639.2612 60942.2193 49816.1890 78977.3027 101439.0930 87871.3463 49709.1975 101131.6094 87957.9957 18067.1427 267116.5335 36916.1915 48765.2579 38271.9113 82089.3879 67542.9980 35041.8523 24970.0776 224367.6258 30006.5750 68115.9854 128872.1693 90642.6016 78458.6878 59169.9034 54207.3737 94312.1767 43773.0465 26301.0999 40951.0435 68894.6677 53542.9713 79114.7135 49518.2552 245264.9693 574506.5841 79010.3916 29868.5047 124324.4003 41752.4773 84013.0251 91986.7208 99466.9200 117029.3686 100039.9374 58713.1991 133022.0564 75365.3789 65079.8399 58008.9115 98993.1473 95018.7378 68340.5525 73717.1419 56466.0292 120186.2551 62945.7350 165606.9020 189034.8716 474338.0464 176504.1831 81941.9094 182388.9076 69837.0609 192767.6024 54220.8966 79780.3537 61966.5868 170581.1293 91405.6090 135986.9630 78555.5652 61638.6269 59058.5093 49598.8072 61030.8613 19016.9661 38972.7800 74839.3226 57496.8736 66584.8648 118115.5705 66659.0970 74271.3177 239670.9149 37180.8751 91941.0340 84728.5970 89254.9959 83404.9944 114798.6748 25999.3011 103748.4417 51789.5248 36048.2410 83485.8289 53866.5233 191465.5306 199298.7059 104940.4076 125057.0964 82500.0740 71431.9204 175521.7680 104156.6224 237474.5746 65499.5878 131553.0621 21581.9879 58864.4515 34921.1210 65121.9305 73091.7285 58858.4707 87656.1506 14681.7367 97424.1122 33841.6829 63776.3149 75237.8452 30545.7255 75034.3330 52648.8494 48636.0292 66394.7250 59818.1206 66537.7857 49365.7550 61250.9696 72676.2472 63864.8746 104519.3544 34306.4555 19517.1096 78651.4740 221671.0615 65688.3740 171415.7780 68710.6883 52408.3872 67576.8707 78138.0550 384256.3182 81761.3984 80454.2480 77168.1356 35128.5055 52062.7107 137049.8077 23032.5528 58129.0814 65390.1208 20985.6168 77983.1503 116768.0911 66572.3689 65917.3900 116360.3247 100019.7531 90157.1767 165889.2609 109289.8795 59500.2813 57275.7142 42299.4220 21984.3369 73887.0677 92877.1676 118200.3593 544249.7150 156673.9642 94491.5166 61370.7320 99376.3606 44847.5932 121323.6741 81409.5872 277235.0522 232127.9178 55647.2607 99775.4685 100020.7346 203416.2880 91315.0124 55475.8907 72097.9567 50787.3203 81595.7348 55846.0093 52656.6364 46088.7089 20343.2923 97818.8424 69808.6605 228306.1570 154665.1400 79230.4039 52459.1201 77593.6707 81279.8622 54578.2664 89166.0499 95929.7165 78471.2542 80403.2266 79492.9993 116737.1658 67870.2266 67509.6560 186430.6695 97962.5633 37576.9792 103131.9283 101585.3418 84229.9322 77193.4044 63664.2838 271551.2014 179812.2467 84746.2543 136465.7940 55331.9953 179862.6162 103563.2374 61545.6462 367586.9569 93986.7408 57367.8087 66326.9009 58783.8857 26472.5586 81579.6519 164598.7162 34256.1794 72953.9225 22526.3446 71964.4817 87414.6833 105164.0224 147569.3312 59351.3658 92882.5880 48686.8678 65679.1968 36720.2182 38740.9348 90133.8826 69876.0425 269816.4810 208539.1749 26932.3218 119860.8283 59002.6441 101322.3368 124623.9300 47326.7755 71251.4182 24648.1428 68708.0537 33114.4180 Miglitol 1197453.2409 2036200.3925 1323702.7345 1840531.4327 1585067.1644 1826699.2596 798139.2293 2676220.5276 1331247.4209 1587175.5978 2181464.2011 1495043.5113 1720471.9939 1550902.8189 1872776.1320 1771445.0256 2777719.6006 1659538.5850 2256028.8646 1655469.0637 2493782.0470 1560619.7940 2121852.3771 1736738.7262 3021382.6415 2648534.6325 1732013.3747 973679.5994 1345889.6417 1571983.1993 1259019.6291 1961601.4661 1505907.8181 2300119.1991 2424346.3340 2529681.9364 2007130.4334 2417622.0362 1772144.4832 5477007.8853 3548353.8543 1734622.0967 2632520.3561 5576658.4282 2039472.1562 3714445.6156 1614409.2976 5220549.2670 1288610.3050 1387645.8124 6244717.9137 1365983.9963 950793.0352 2430088.6449 2415931.0778 2607993.0087 4566688.4682 2504788.2890 1315653.1414 2731255.6454 1891279.9332 2171545.4521 2533878.7485 3240222.0473 1573303.8925 1330746.1489 2488731.2035 980143.3751 4262109.9203 1492339.2278 2240842.1302 2228352.3663 2624346.7872 6303119.9382 3464234.8628 2848847.2754 1151871.9106 2243077.9711 2308561.1587 1627753.0740 2061705.7073 1487572.3213 1998669.1631 2652343.6175 1844478.2128 1928162.6150 3089072.4244 1574274.9742 2076797.8935 1457262.6369 1782857.0532 1863566.8994 3133546.0641 2238922.3149 2215813.4850 1723220.6848 1970737.9827 1784980.9147 2467392.4207 2730098.9787 2384558.1827 2919416.4858 1640090.9119 1078113.9342 1776479.6653 1701706.5011 1695566.3236 2845823.6815 1743331.3688 2846611.6340 1895833.1859 2768366.7272 1180786.0466 1860602.9434 1650137.1442 1514625.6895 618865.6905 2009648.0567 2679565.9854 590856.6805 1776198.5127 2463669.1418 1607222.7632 2252012.5567 1848270.6363 1650347.7781 1416283.3688 1528613.7346 3158793.9517 1989000.9193 1286265.0375 1521095.8336 1729345.7036 1070228.1630 1613074.6850 6755578.8817 2807088.0752 1911891.2225 4346367.4235 2869757.8465 3425839.1321 1641941.2447 2044446.3454 1895546.7587 1916663.8153 1572357.7600 1900653.1604 2270871.0187 5444223.9027 1767096.5217 1332060.5130 3666890.4631 3512743.2309 3934644.5077 1538446.6809 817806.8463 1620085.9048 1534497.6671 455595.2741 1939882.0290 3542976.6436 1692697.4614 2920190.8608 1934648.3632 6162221.3364 1936712.6175 1244562.8677 2834831.7346 2176148.8563 4141236.1959 1696256.9281 2491965.7870 966450.5364 3580008.9104 7582408.1051 3572008.3782 1966245.8029 1975731.2804 3958471.9355 2459358.5528 240825.6412 3126607.5784 1813649.7109 3914954.5335 1264706.4811 1364509.0194 1627087.3855 3665303.1506 4225722.4816 3376978.1305 2194548.3726 3656631.0202 2133812.4234 2480399.7208 854763.0656 2095044.4793 1896523.9453 348573.8521 1660789.8810 1885728.3739 1877845.4177 2391170.8264 2517922.4274 2186406.4453 2140585.5949 2793282.8626 1064500.5908 1774976.9321 1628109.2032 2023062.3220 2018597.6459 1842921.7254 2544282.4719 5199061.5996 3540891.9752 2243525.0436 2315893.9711 3371064.6271 2243839.7295 3232622.6420 1653983.7878 2116711.5126 2089482.9206 2276113.8591 1317560.8793 1574681.6214 2816796.6556 2422553.0514 1163852.4724 2130931.2854 2363486.7198 1980704.8238 2230758.5985 1402619.8674 1630731.7231 1135767.8878 1552419.7027 5995420.7900 3564205.4063 1702742.7240 1917744.0672 2004237.6723 1318870.8934 1002717.6624 1790741.6626 2704102.4904 1759010.3182 1833826.6914 2436379.6828 2460643.7965 2730206.0636 1716185.3125 1206683.0687 2426235.7389 1539610.4654 2534073.8662 3093074.5770 2971336.0073 1449221.0737 1860305.7783 1797255.1265 1617403.4071 2528641.8198 881302.1459 1398087.8340 1357359.8971 1500867.3308 1561892.1437 1964521.9463 3470862.9287 4268233.3029 2238346.5056 1785826.9633 1687139.2177 3010448.9868 3495955.0831 2786501.9680 2336585.8470 2087326.7321 2104490.8990 1716370.5736 1509447.8660 1667564.6228 3096498.3502 4215663.7139 1746402.4976 1554739.6924 1806921.6064 3022427.8620 2041098.3053 3635879.2893 1636000.8979 924716.3795 2029192.9928 8037714.2004 2708882.9070 1712914.9461 3762806.0713 1899510.2571 2537627.4752 2139510.5818 6878197.2995 1970955.2588 2686770.8522 1724335.9819 1928771.6980 2874037.9182 2417921.1975 6462397.2269 2057967.5735 2272073.6136 1154816.9707 1580353.9259 938594.0102 1761874.5765 2788909.1971 2395913.5514 1809906.5338 1628804.1685 2424127.9676 1733599.9749 2120409.6427 1576637.4361 2041868.0706 2140311.3070 2040016.4121 2602456.7177 2274510.1251 2418021.1620 2170910.7433 844363.1168 1322445.3608 1186931.0328 1140288.4834 3319615.4063 2396984.6456 3058397.9771 1186331.2762 2514760.0110 2210807.9311 3777927.4330 1299964.7803 1273882.5565 970847.1785 1867777.5123 1995096.3033 2172875.1492 2054850.0759 1719386.5284 1641944.3299 2262826.4956 1373227.0837 1878493.2727 2100503.4487 1153653.4216 3947831.1888 2241464.9549 1408588.3966 1809061.7426 2472687.1439 1112605.4310 1753966.1050 3007640.7273 2045916.2403 3331851.1467 3528148.4562 2638767.2913 1708243.2620 2059789.9688 1118882.2195 1673324.2069 1817542.1386 1197759.7650 3208568.7608 2528632.9431 1852051.9080 2170775.6466 2208984.0663 1885708.4445 1926078.1940 874767.8083 1827149.4109 1619886.8039 1630637.0415 2534722.8967 4145725.4606 921717.2947 3283666.6911 3211515.2144 5013487.4353 5891800.2126 5959055.0742 1915232.0832 2221083.2236 3012666.8917 2939076.8967 2465052.6514 2399719.3854 2405910.7681 3360796.9414 1895841.8108 2936791.5656 2493010.2716 3907567.1592 2898854.3758 2317444.2139 2234708.2842 2225560.3547 2433190.4745 2656704.6987 2529348.1947 1461287.1771 1357812.3526 2542629.2387 2472193.7794 2342552.3032 4994824.7028 1260291.6031 2650068.1920 1965861.5422 1508591.4275 1834425.3260 2004169.7475 1924596.6437 2484976.5792 2149742.4810 2634449.9076 2406693.4544 1541882.7222 1680056.5022 1780497.7728 2048882.5024 2058506.2089 2450398.7335 2741836.0300 1870217.9518 1988719.7679 1689403.4932 2030483.5244 1780456.5788 1422001.1800 1568234.2183 1950512.5257 1865897.8805 1619339.4817 3249043.4649 2383734.7893 1823798.8191 2685521.6196 2448109.7234 1908455.6644 916254.2060 912627.0389 1965707.2367 2732779.7527 Mimosine 10496.3526 21757.5416 48809.0333 108595.1669 43.4040 161.2346 60391.3687 20513.0852 104833.1655 119375.1449 78738.6941 59739.5792 52363.0409 186.8059 2857320.3906 18730.1276 52740.1318 35325.8647 38528.8332 143913.4894 62433.8305 86080.9651 110422.7745 3066562.8259 26060.6418 53090.4864 13223.4871 2403.0190 4345.2011 1182936.2943 53861.6802 11531.7760 57718.2432 93558.6394 374988.0451 44265.7511 23078.8799 21453.3155 192040.8059 136589.1450 27413.1666 43921.3714 93806.7148 22116.0104 260578.5497 64882.7623 52930.3172 118092.2185 54544.4758 128761.7905 267969.9803 113706.7585 185318.0906 184831.0126 148638.0733 238520.9337 29212.3196 157535.3548 401230.7424 9914.8672 97271.4213 101237.3136 236568.8427 130150.0146 73953.8854 324096.1111 66047.1643 154890.2276 323466.3754 12950.6395 252534.9930 114108.1435 139676.6951 169944.5940 24083.1829 256802.4362 446604.3668 153795.1032 59454.0734 146885.7400 228942.0627 255569.1611 317253.4551 18182.4551 15989.9634 7276.5732 9529.1141 405220.6244 66941.8024 14636.4740 5372.9804 4705.0264 1112098.4359 4459.1481 45247.0862 1220493.2702 120219.4130 209983.8283 286574.6554 79514.9200 15042.3309 354499.6684 82329.0312 246690.3215 105292.6729 7485.0666 233318.1008 38084.6196 27179.8718 7788.3740 67075.6986 15871.2142 312097.6940 46947.6490 398389.5275 91001.5327 70705.0199 186375.0139 211128.5930 51249.5427 24658.8365 376.3305 96536.7573 7061.8434 1067247.2972 290931.6108 215697.5752 481123.7268 20453.5456 36495.2734 1833.7486 49070.5111 7129.2927 29414.4973 83059.7145 185161.2698 139375.9004 6134.3299 49206.3048 45315.3696 114739.3633 32224.2566 697815.8974 252.4331 263792.0154 18826.7863 206510.0174 81771.0778 160944.6253 103177.1619 193522.8358 90740.5313 4818.4759 28646.7493 123356.5369 26462.6776 92393.1374 1152021.5735 579818.3787 97343.3024 58924.1055 514368.0923 234403.1845 388341.9545 166039.1838 707576.0536 16936.5930 97791.4466 165018.2812 149351.8994 187454.0315 4713.4577 66510.4031 199201.0334 327389.3114 79327.8167 9412.3147 172329.2901 3029094.6913 40521.0636 33478.9933 25851.5262 322963.1974 31027.6381 74755.7599 10966.3448 18087.1144 50756.1781 171879.4305 307914.2486 4546.6500 167222.0463 10558.9543 62416.0280 263.9850 30448.5104 154916.8599 131166.6217 30240.6761 8619.6427 102650.4971 49468.9279 5430.9023 18150.2855 260660.7385 20865.4220 267513.8462 6876.7304 151413.7448 243811.2804 264815.3142 7066.3101 51423.3980 199265.2513 262970.1021 175362.6964 97031.2060 161373.5706 135873.8744 20994.6265 75891.7608 60680.1774 398906.8699 165551.8041 79966.9146 458782.3076 167980.2833 128510.1846 112499.6602 31738.3021 32598.4963 287704.6555 151546.4626 28945.3431 130239.1085 164690.3646 217960.2015 691888.8178 76102.6922 100906.3364 219621.4310 146781.2889 131368.8556 117185.6868 90891.0146 22011.1913 116986.9852 180475.6336 157508.8933 468947.8696 410356.2970 135787.3214 217614.9697 424007.9599 107697.9748 186270.6062 234881.5329 158733.8069 178949.9934 76325.3117 68195.4105 366059.2243 452998.8328 324779.7556 1626.6145 4880.7311 13875.2862 43931.0479 190971.5668 85759.1104 440098.8809 22204.0218 43910.9348 69464.0927 71701.2820 395336.1973 1038.7415 27889.6452 61533.0582 63163.1214 2733.6738 29922.6709 13815.8134 593565.7265 97322.6526 9734.3521 21132.9727 36074.8143 28515.1971 7218.8175 59137.5730 54502.9977 44139.6642 42357.5244 312088.9581 11116.5922 72262.1461 283996.8023 3293.8501 41592.9667 101521.8500 295017.7669 13260.6223 177756.2109 89406.3462 81514.2527 398761.7010 53520.5465 135864.1357 288758.0853 1316390.1009 29943.8373 26008.3471 64724.1992 9499.7980 737502.4362 324440.0066 190440.6693 62763.8214 104847.5025 333348.3662 218530.5065 340105.7821 197359.3270 58303.4545 621585.3801 165401.3077 118609.3677 183217.6896 477085.0276 148384.8986 296358.8323 105828.7407 52532.7201 N1-[4-(acetylamino)phenyl]-2_2-dimethylcyclopropane-1-carboxamide 10895948.3319 1671561.9115 821883.7336 196894.1817 510108.6089 440265.1805 1868483.0456 281309.8235 165334.9640 400954.7445 2633641.7076 558579.8146 2726125.1065 8097914.1048 8168665.8761 235687.5707 2618030.9046 1897013.3534 1756505.3662 2242960.8396 4023075.5556 1626688.0067 3342000.7284 1691282.9312 1735835.7266 981788.9510 4561111.2080 1700748.0576 1204810.9905 71232.6680 977180.9503 2983799.3511 370687.5619 224447.8016 340404.3252 563466.2560 1504639.9174 2678121.1766 1307005.9037 2180813.2505 1368364.9094 3450720.7989 1055881.0611 2542705.6258 1850408.7345 2650349.9715 2548035.8050 798164.8202 1647238.7583 537218.6768 711761.4793 1706859.7760 1607282.1679 2508239.7812 2332531.7649 74294.2891 3031048.8832 2287625.2203 3005826.3537 1650449.0024 2471411.0077 1659271.7791 2034075.1550 2792662.2053 2143889.9372 1825192.6569 2292929.5303 2621801.7997 1947948.6698 1820792.2003 2592160.3095 80477.3754 1780478.7405 1891073.9829 1710485.8454 2859037.6845 2242775.1987 2628174.1244 4675995.9299 953705.9925 1729337.2204 3005960.7066 1324997.4765 1228985.0563 2018774.1344 1853012.9556 2449093.4861 765685.4593 2270148.4144 850309.0226 1133225.7152 1957581.5128 370252.1895 2013660.5558 1923901.5765 2996195.0837 323571.4874 1024795.0787 1037932.6328 1707791.2326 1858161.6416 1609753.8085 2618.1576 2456066.6175 3672124.9237 287944.5552 1731193.3172 498142.7559 2118105.3927 1731257.0291 132828.0862 7755368.6941 2479313.9077 1599967.5351 1109490.1606 1971711.0657 2840966.2112 1910717.8434 1682271.2923 2968822.8473 1345096.5029 2129325.4372 795586.2684 1948008.8291 895192.6694 1850799.1773 1239389.9293 2378571.3515 900771.2348 1224483.7465 2656216.7465 2148282.7070 1545538.2129 2246746.2039 1645407.6419 2932309.3658 22865.6886 469177.8294 1708567.7427 1836011.7992 1737679.6573 1967450.7870 3053627.4325 305573.0151 2428202.3326 2044252.0617 2418922.0309 2031209.7209 2982163.3548 1997173.2998 1773216.5274 2440702.9043 2077894.4566 1891391.3174 1612401.7919 1644408.0998 2170155.9826 3814214.8601 190027.5010 532171.1178 1540116.2698 1112727.2747 588563.9899 3076192.2692 1095941.8743 1978583.6430 1816244.8137 1873868.2629 278464.8028 1775313.2494 1974601.9865 29480.7996 11701137.5188 4063537.6689 2805917.9422 1778772.9336 3594386.3408 2132675.4744 2292723.0557 6806742.9216 3465689.6047 2789787.3302 1085365.8909 1830780.8189 944312.5367 1315862.6578 1552734.3288 1974202.4210 1881920.6405 110455.5459 2782747.5994 1190978.9340 1509872.4355 2219649.6123 551120.9949 31271.8798 219544.9604 760350.9619 1312288.9264 883075.2894 1321471.2126 1886022.7842 1635670.0401 1769216.6826 2754220.7437 1325866.5693 2853640.1089 306879.0386 1771384.5778 1158707.4567 2117926.2834 2349423.9841 5302112.6268 3168335.4959 710057.5204 1034479.1897 4528523.7771 2739570.5970 1693289.7032 1806556.8430 2056834.0889 2735420.8768 1962782.1424 1746423.3113 1760348.3711 1949131.7582 2962063.2397 1987547.6185 2703590.3618 1983845.3828 1909623.0186 1918650.5103 1765973.3996 2046978.7171 2825470.9477 1776829.6014 2129558.1057 2400437.1914 2012976.3712 2876025.6814 2775755.6857 1937746.6688 1928320.7060 1838531.1154 180237.3683 1489437.9168 1991168.5624 869698.7246 1172007.1961 1813788.2582 1818234.5264 479819.7588 343555.5794 69865.3093 795109.8195 1610587.4967 5667551.5373 1128117.5945 443001.1729 1200823.6331 1866285.2704 2056970.4447 1745797.1872 1664628.3505 2011683.1288 1829842.9971 1898611.4775 396087.5032 1150019.6923 1030698.0025 1534494.8711 856748.7937 432909.9371 1391982.8995 1367889.7869 1826806.7910 1312793.4172 434547.4353 1957736.6256 107650.1422 533338.4864 496094.6019 5267574.4599 3660011.5633 1823094.3459 1514223.3739 1035486.2165 1877192.8014 2764782.4099 1656475.5347 1718629.9530 1813550.0836 2052049.5602 2032497.6793 2097682.6358 1801794.7862 1849545.2554 1915194.2779 1784356.9982 2413807.7461 2330097.2841 1645445.1884 2119283.3766 1809219.7800 2004503.6451 1970556.9406 1742939.1988 1870932.0132 2555222.5109 2679894.1306 1838603.3716 N-[(2S)-2-Hydroxypropanoyl]valine 184369.3724 130297.5365 507028.4728 120955.4842 104880.0353 244152.2818 166307.9708 68642.9869 208232.7579 40596.7537 181562.7947 44069.4949 166567.8633 44610.0135 98068.4362 302880.5729 374621.9553 201316.5993 55356.5669 481125.1579 183624.2967 235515.9129 117806.7775 235921.6168 193929.3376 385749.9873 43788.3297 69625.3937 130458.7352 126308.1997 157394.7106 486367.8766 187745.1778 190886.9197 152933.6434 82914.7228 76424.5751 280902.8063 173360.9684 564819.5315 89643.9255 231584.5106 248997.9375 153497.4622 186083.0003 195052.3299 64310.4715 97193.3983 172658.1279 70260.0299 243948.0094 77906.0095 367746.4782 217108.8092 220191.5524 244301.1293 229199.3377 71250.8494 164118.3209 172199.9763 167650.1387 160114.4255 200070.9304 147487.9463 64639.7630 515448.4460 273938.8753 115162.0195 198801.1414 225655.5247 187118.3218 122220.1103 203786.4252 618240.5480 937790.5109 191357.1151 155856.6181 148984.8137 188801.4432 169012.2718 219001.7821 173594.4272 166858.7615 98589.1823 66343.3972 75508.1247 173838.0842 47654.5358 152867.9991 307352.2335 243090.7133 158438.2186 252724.9734 435854.3754 124425.4514 85464.7469 308003.5581 265507.7861 283373.1226 108953.6853 162200.3548 96630.7282 68455.6969 127635.1610 235899.2647 136531.9285 186118.6635 115869.8054 84686.3398 292685.6926 131625.8454 210742.5431 142037.6038 453567.5260 149665.4206 73875.5561 84354.9006 32945.2929 218435.5241 12978.8707 113831.5218 113990.7932 243920.8497 178395.0913 164296.6934 48584.8102 86918.6036 14787.4359 338693.7300 101917.6049 70754.1613 109814.1776 40802.3049 168985.5963 523399.0497 1150157.0356 289197.0549 175813.5857 1599464.6958 589926.8755 470513.5326 57068.6346 140817.1018 136013.8703 138977.0729 49782.4402 175320.0198 168523.8803 637424.6287 174532.1625 215238.5157 209895.7437 226616.5712 172583.8149 122415.4027 74759.6979 24948.5477 179808.0724 53120.5854 162914.9214 193935.9882 204293.0654 108797.4739 195577.3774 397491.5227 151860.9078 33127.1558 82985.8198 158246.4649 94382.7619 118140.3515 102810.5148 108766.9707 244495.9663 1123324.4394 172847.6820 137011.1126 349858.0758 471113.7836 261951.8573 57125.6317 203849.5361 129276.1151 102322.8978 89989.8746 147688.4560 122368.4184 245270.8970 236553.6411 435935.9123 259000.3788 163222.0610 80294.8839 317411.3323 78129.5397 110996.6566 188019.4138 30946.4526 264364.3940 330470.7066 166571.5642 140115.0361 97713.6276 184743.5797 151910.6296 154819.1459 11557.6176 152865.8794 62984.1749 175056.4780 59069.0495 56472.6479 176520.9380 446984.0215 400252.2792 127807.5920 528503.8407 155609.1934 103094.5568 223701.4579 138405.6496 148173.8542 228054.5699 90616.5174 46094.4095 144226.9818 149410.5826 115782.5436 414925.6926 133862.3534 102656.7551 157854.2218 44853.4549 92398.8074 117023.9556 19821.3227 120729.3281 257814.0402 417235.8455 110817.2344 81651.1295 49830.1633 49726.0055 246947.3178 102816.9695 77563.4571 159036.7609 189414.3239 257824.6122 235439.1168 156277.1324 116019.4425 176873.9479 350268.1122 33784.9933 201808.7779 190400.9032 210671.6127 104124.3817 258405.1158 133523.5015 142354.3599 145298.3522 167763.0971 88874.9751 61418.9041 262872.5134 144018.7275 183396.8624 451854.5076 169239.6799 110407.0290 162270.7858 156826.4076 115767.0882 160919.5384 710156.6013 159780.4854 134463.6900 132760.1543 97214.2000 40321.2592 107989.4958 97794.6559 211068.9917 133824.2574 52094.6530 89335.1397 197637.9944 198672.8754 384307.4859 131485.9243 170701.9595 177456.6949 248057.7736 182019.1983 257067.1628 158877.2263 73170.4972 122118.5239 168204.7698 226904.7325 100353.7587 101290.4982 125000.7352 342885.3596 142367.0892 148944.3751 277835.5594 125183.6289 84810.5527 111671.2819 173644.6854 121307.1973 113517.5282 119676.6965 166298.4526 174793.6309 69038.5995 93067.5897 68003.5749 192614.2384 97713.4361 112252.1137 105979.8250 140023.9749 168564.1067 109417.7680 77368.3731 118584.1266 187947.6238 332423.4981 159565.6381 130162.3235 216993.2417 219090.8551 307812.1770 147502.7500 167602.8175 109585.5477 250635.1882 36060.4763 178582.5471 147688.0941 74762.8413 105800.1595 169752.7810 129781.2857 211540.1026 104780.3622 147674.4807 37699.5421 141868.2891 153943.9220 241085.3215 219646.9276 206923.3548 126203.6610 112421.8122 107568.2235 121118.3745 211356.6969 184981.5142 133606.6155 267580.7576 88951.0075 93146.9093 149163.8767 105675.6379 251253.0989 135518.6324 122972.7940 135801.5874 289946.5767 381041.1716 130432.4898 151230.6132 183202.5360 205100.2794 71969.5001 178982.4387 133507.6535 153073.6642 164420.6016 127720.3308 257054.0042 144891.6324 236106.0850 158188.9125 198999.1848 343107.3632 208673.1169 45438.6644 187612.8219 149176.3418 467659.5153 133749.7798 176751.4507 137884.1573 265539.0035 127579.1876 220006.0469 175119.7987 117075.6889 167668.4686 196790.2532 120463.3338 204239.6944 244172.7762 170848.7846 102723.9273 67177.1795 146066.8325 208940.5701 214793.1862 227827.4101 213611.9506 215788.9725 89869.9308 139767.3945 101927.0050 131910.2850 60240.6653 152185.1817 153471.6732 72589.1119 238923.5982 280192.3334 81176.2467 147647.4261 93839.7450 134424.2105 150325.0366 232607.3868 210488.5322 322970.8112 189681.9585 142077.2719 123640.5276 139127.9642 122349.2432 192438.0969 133022.2718 240807.7578 150637.8597 541197.5613 119717.3950 154042.6868 103590.4320 176577.2524 205189.2717 76527.2124 59662.5415 103389.7711 59268.4813 N-Acetyl-alanine 453601.9328 756802.3254 740460.4087 669065.9269 536161.8442 661226.8651 707663.0399 694488.0778 715624.6554 528686.8839 525632.8786 404895.6018 580128.1858 516144.3086 606981.3753 739970.9631 1451883.6299 681302.6606 787636.9594 1623223.0367 773482.5489 846713.0944 651339.5480 471476.1698 751452.7269 1320741.9187 407207.0280 407665.6452 538494.1625 335742.5624 564386.4490 688699.7279 747956.0587 718125.2067 615382.1247 1040791.0854 647255.2971 457786.6345 690887.9373 1619223.8791 505484.0796 522615.3940 660454.6852 612821.7331 744530.6302 694448.4139 436498.1797 677068.6250 674899.2068 487342.0357 56015.1776 380891.9576 757371.2268 719750.5892 641999.0951 847209.6997 720834.6317 759172.5889 718645.5599 1122903.8699 731683.5948 369417.4412 548245.0069 760232.5894 451215.3728 1239045.6795 881402.3490 728838.3976 649243.3383 868095.0508 588600.8603 566545.6371 1329846.8221 730321.2299 678209.4805 726900.6279 394748.7612 698493.1669 673483.4711 861963.0553 569638.6391 748414.8403 512697.9190 701953.3649 582750.2411 502281.4131 581746.3687 484427.6944 627217.2692 850416.8371 627770.8356 646458.1980 871875.4436 1536268.7532 498849.0754 531105.0281 1403152.8085 855297.4801 607757.1347 783079.9426 635023.9300 867122.0806 446188.9420 361744.9825 547039.0801 637033.0126 666396.7228 665308.9909 639222.6295 620063.0037 482296.6299 1004038.3415 776953.4237 595562.4097 616358.2201 691734.9903 1123694.6750 570881.4169 608770.1969 710494.7773 879162.0099 1111872.4908 1116491.5691 973272.3750 569991.4887 836005.8313 617553.3396 453311.5347 702642.1607 827181.2115 1045403.4325 532630.5000 619235.1590 510389.8773 912404.1379 2943555.5749 844314.0203 643717.6234 1802789.1319 1216724.0617 1257471.6708 858395.7654 747838.8605 728463.4231 550303.2609 622375.1470 1412224.8764 894888.3677 1689659.3823 560945.3403 494532.0941 1042411.0166 1615393.7169 780840.4498 721568.6743 1195956.0883 585413.3486 534371.2581 759525.3630 1079766.8534 1274068.6139 1017385.7811 831802.3021 565878.0257 2039416.9520 502331.7360 415097.2248 478059.3624 957969.6313 786253.2291 542023.1657 327828.0530 379655.8752 470894.9759 1925339.4798 683796.6572 574690.7650 913613.5126 1396155.8178 875511.0348 1752197.9646 760283.4118 668811.0238 524112.2484 580708.1264 845923.3447 674718.6263 995273.6445 661500.5688 770268.7510 1179349.4119 808294.4215 310361.4287 791613.5837 689488.6583 706816.2616 459505.9277 787779.1124 820606.1318 771835.9031 633755.2568 1018726.4366 516708.9392 868259.9351 514560.5517 843744.7496 269822.7517 679292.4122 664140.5109 593418.9811 603833.1262 480363.9576 537477.4657 1446742.6651 866733.1959 617225.3502 756621.5810 748113.3834 686933.7757 1021657.2701 669323.3265 832880.0786 692813.2749 738470.3177 764782.9025 702275.8271 898703.6939 618731.6742 609149.9414 914741.6410 713148.6255 585865.0226 547053.5980 846876.3043 457887.0094 553271.9291 717255.2121 1059370.8683 928956.8115 612973.8776 631164.2784 563779.7016 469512.1838 729778.1055 562074.6674 623784.7630 784841.8282 612571.2250 787276.5353 652490.5952 522993.1655 606363.1543 715273.5226 574566.1781 740267.3225 983318.3965 911928.3452 1457946.2625 560743.3574 1174463.9801 884824.0063 691022.0306 591253.0655 997322.6787 768753.7613 1066247.0502 680902.3624 793918.1294 669104.8044 1064053.9828 656947.9659 490408.8624 815345.7560 567655.0487 578767.0833 661505.5044 1576420.8999 626432.2816 697929.0252 957687.1814 531076.1837 543824.7025 664218.8752 861947.1399 756871.5829 648143.8095 500493.2055 478465.7620 772471.4104 85594.1055 878502.1772 522096.9544 740166.4609 620998.8963 751947.7658 854148.5122 1130274.5480 696764.7053 903542.2784 628110.4875 716063.4120 766108.0024 1031835.7390 682063.6048 1330401.5529 862580.5018 651997.3832 632675.2969 1219028.6324 700649.3320 737112.6760 680404.7520 509108.2386 553690.7480 549351.6130 777151.7121 645945.2971 669160.0232 654192.5855 546131.4464 550593.7417 642004.1542 523498.7823 508128.3667 785715.6204 592342.8004 677444.6799 595963.5016 534921.6180 604175.7103 596509.6462 572487.4563 637161.2390 719606.8616 1419070.0142 959548.1341 812854.1085 767024.4910 702836.0994 685415.1636 747379.1964 655449.6531 811461.3004 871080.9795 512370.9237 670514.5072 633546.2980 499688.5380 700034.8847 729645.8550 710173.2624 562014.7650 798415.6816 656465.8550 638258.3283 1462595.4365 878189.7057 503702.7031 322926.0930 655158.7050 473997.7223 619901.8750 1014218.8082 667053.7971 1602370.6393 479180.7744 706083.6057 692203.5116 770507.1818 651632.3262 637665.3964 617545.9586 643400.0645 1805104.8742 514760.3393 556873.5355 816107.9275 725679.6283 701047.5153 672480.0100 960328.1259 596271.1495 727578.9663 539410.7570 317733.3828 748739.1729 471160.3542 329953.8975 985266.0461 1429882.8042 701450.5192 754645.0686 429995.1221 677227.5435 701129.7358 605654.1390 597357.1211 752295.2469 744895.6775 596443.0357 680640.2281 852607.2213 562201.7317 707179.4858 934675.3628 647393.8869 428891.5578 977226.8298 703216.9726 753277.9186 787020.3625 512561.2855 655613.6744 1425314.2388 708065.1482 804755.2181 817973.7472 1322003.7532 555177.6332 677487.2131 664805.1515 637873.5936 654330.6918 778365.2086 586883.5401 356841.1716 958339.0002 1026550.6869 494726.8872 649077.7335 547641.6292 614227.8097 901834.7945 755459.4058 880532.4863 566832.6988 783396.3208 589832.0557 834084.7692 795394.9099 562674.2568 778394.1309 717312.9541 911715.1490 1045327.4470 546902.6050 543227.7905 799789.5809 827011.4177 816577.1153 898946.9167 707265.0749 553619.9038 623272.4244 513276.0874 N-Acetylaspartic acid 51826.9350 45105.0587 31127.0803 55920.8138 10328.6763 70137.8944 50516.0343 2900.2939 40793.6144 721.5170 43609.6657 42246.0040 38461.0042 501.2096 22069.2303 58866.3781 98096.5911 6051.7926 38621.3415 29913.8237 65415.0902 46594.3849 19308.9817 35308.1839 67791.8468 85563.8514 1409.7219 25129.6576 24413.0970 36109.3691 33193.9557 84010.2277 66376.3566 53174.4826 49813.9323 79733.2752 53508.2738 10570.8605 44231.2061 137596.8246 10530.0673 35288.4964 51686.9229 26236.2269 62957.8357 14273.2143 28646.8344 929.3386 50600.8813 1251.8983 71639.9635 49941.3134 44705.8598 6949.6380 56222.0408 2382.8092 17849.1468 31211.9391 29064.7215 88247.9827 41164.5091 2296.9986 27415.5858 63246.8833 27765.4111 75412.4497 62739.2606 35109.8548 98132.8406 68374.5899 51663.0761 64947.3115 95917.3832 85183.3082 12901.9261 158398.2991 46870.7436 56755.2491 24592.4197 66307.2312 51012.1002 89636.1876 45427.6010 3017.6082 62055.0483 3925.3586 57289.0495 58777.0302 46912.2646 18520.8569 34908.6625 53766.2555 140729.6299 180821.5566 40303.4558 35518.6094 156119.6555 65984.9941 32778.1757 47177.2131 56895.7300 48446.9565 779.4359 31723.7995 55990.4099 48384.6505 40452.3734 105820.3363 70842.5768 54625.6502 46205.9838 94008.6357 133969.0197 62895.9039 15358.6337 37992.2325 69030.5238 2871.8756 35558.9086 23226.6371 76664.5661 86954.8021 68286.6920 3328.9676 41491.5398 97760.4033 22428.2959 848.7869 72942.6705 60356.7062 54848.6760 42680.4395 49414.9729 17195.5528 70941.1369 408694.7020 65368.9410 45718.6810 123607.6792 186232.5862 28575.3014 104956.9418 50759.6935 52794.5177 2822.1383 48230.9898 13846.4189 86273.1248 88434.6265 48482.9723 44798.4500 83592.8919 61390.1262 84199.6595 56259.6777 141126.3428 591.8088 51462.2023 100196.7803 68574.7456 80085.4428 83799.6581 124.6233 34091.3095 166942.6565 41547.0499 36326.4060 46020.9956 78435.5332 141076.6960 46416.6514 41510.6168 13188.1544 85194.1033 265749.8625 60943.7859 39654.7326 55359.2944 142680.0590 4840.8365 178310.0771 54815.8246 55989.4359 5617.6659 46189.7109 33096.8933 55397.3850 119383.2960 59881.0256 84297.6670 110323.6078 44592.1087 32531.2629 88084.1736 171130.1271 1965.1982 69820.9555 58252.7701 97579.3188 146758.6729 75826.5441 20735.3666 46768.6621 120462.2026 30932.7749 1802.8332 26744.0045 73441.0337 35317.4106 46015.4811 84321.8133 73290.9212 112122.2452 245699.4096 119908.7605 46712.2111 63878.7081 61767.1437 53190.2735 292680.2956 60565.6734 76696.8059 54601.6454 75483.1423 41119.1264 47149.2645 124908.9744 69091.2291 78867.3959 63937.2496 75238.9370 41457.1292 29401.8588 74418.6126 17855.2282 25571.3739 40708.9177 79300.1566 55876.2826 42115.4072 1419.4812 42468.0350 40184.1473 58876.5344 3398.8349 64373.9549 47023.3450 47177.6711 70422.9971 69.6601 73376.8877 42106.9732 63611.0712 1803.0454 34123.4622 97755.6310 54447.6223 153729.2895 27977.4267 78580.1002 1738.7548 37713.1613 20428.6811 141.6489 3588.4996 75051.2312 23682.4915 109334.5786 56519.1080 58834.7680 42143.3792 76657.9169 47056.2401 50403.2639 1005.6507 71379.9163 227592.2452 42109.7614 36889.7726 62120.6595 17809.9593 33109.8592 36933.3432 40043.1218 56338.3956 41399.6954 420.0544 40283.5288 45418.8829 68745.0607 66329.6064 39215.1183 41909.6719 1813.6403 73239.5465 187486.9204 68391.0732 62210.1665 13606.1555 33171.9597 44999.1341 57117.7129 52645.3230 18620.1079 115071.1022 105074.2972 97745.0973 54019.3308 63598.7337 51460.8504 45937.4241 64141.3003 73356.0108 45085.7313 48080.1833 80149.7250 64502.9218 46290.6880 750.9748 42769.6486 39382.9413 79507.3964 21354.9833 54579.7178 46266.8217 49263.0561 52115.0270 14411.4291 95192.6759 48130.3329 51211.0827 1549.4942 93612.3820 135861.1171 100416.9884 132103.5576 87299.7631 129100.3272 59356.8130 60737.6119 44998.5435 506.3332 1058.3234 74412.0698 15838.6133 125617.7911 50886.2435 41317.9683 53482.2299 1232.1462 38507.0017 1231.7855 64792.4721 49852.7941 34707.1158 67811.0853 62672.0181 50116.2920 33365.3559 29328.4997 43534.5737 44963.8547 61471.8857 56616.2779 95649.2130 18975.3553 15777.0362 35864.6560 49443.3121 35270.6527 69535.7912 41163.3256 29428.7055 68863.6927 55147.3770 56463.3063 56125.8142 22618.7419 57514.1315 3063.9037 25342.5196 2113.3094 61591.9700 40235.8973 44722.3833 78323.3355 51918.9139 40878.2236 63289.4967 111020.6692 45922.9452 7274.3457 74644.9463 72983.8636 45901.6287 79339.0836 48127.0711 47954.6573 56592.2621 60578.9803 55690.2410 12034.3203 36103.1198 5028.7153 85004.4097 54468.7896 50880.3253 82184.3284 59917.5549 45552.5318 60044.7429 47420.5301 46352.1719 53060.3464 39651.1089 59214.5997 2913.4910 44549.3694 3405.1423 53454.5929 2532.3970 42177.1651 2965.0271 57599.9901 63143.3810 48444.4805 68938.8740 56633.8398 63206.8794 56838.3930 60591.4428 40538.1960 61524.4277 72310.5064 54626.2714 50357.3070 3810.6838 77880.8299 50131.8021 73069.5939 50390.0665 79071.5848 52410.0903 151998.6940 30337.1518 89767.2562 59439.6159 63538.8676 62952.3409 69023.2038 23724.1642 14945.3022 1252.9191 55114.4655 48372.4387 N-Acetylornithine 6888.9711 195288.2426 239671.6669 74692.8641 102085.4290 104927.2745 56749.5807 84236.1103 73723.9100 16536.3841 9191.9117 22003.0431 74857.2217 87371.2124 80217.6496 164515.6078 214386.9446 9189.5677 11785.0082 15174.9077 152766.7076 163867.1715 91631.3104 506811.2352 157079.3615 344601.4859 76813.9700 35237.7571 8844.0343 89074.6067 129284.2014 255955.4794 58415.3861 81093.6452 216783.2370 249512.8934 135491.6136 217815.6104 75397.9880 476645.9303 18250.7965 13340.9320 173174.6619 255523.3668 75353.8492 136585.0817 102498.4523 112001.5180 8783.0528 9530.4742 29060.8702 21530.9766 144610.8368 130434.6074 142968.9981 170660.0183 23956.0009 41654.7198 18859.6129 104492.6351 196269.6283 140515.2533 631876.8064 155665.9110 79574.0536 70914.3927 101522.2368 102725.8432 223314.9044 122599.1897 82993.4820 245572.2974 339858.6334 155546.1366 306143.1568 141173.6420 19288.7648 243379.2873 407442.8082 87241.8956 196145.0942 183158.8227 222763.8285 197208.0326 35121.6770 129020.3682 39489.5481 153793.3634 79684.5680 305488.2762 200220.2039 165030.7268 305050.9389 95001.5813 165184.3909 80713.1923 156782.4431 284470.0061 205108.6714 208483.7724 158768.3256 303831.6600 43438.9042 92056.4047 117707.6925 115564.7553 140917.9525 453702.5509 64343.1062 103609.5278 163329.0489 539075.4705 210628.3405 333117.6941 22067.3139 32605.1123 172592.4872 18807.9772 61009.2976 41491.9192 76914.9244 240501.2003 93215.3654 58161.4925 42614.4476 172806.1655 129843.1303 7888.0867 175713.6623 77180.5431 96215.5498 134105.8884 10020.6580 14879.3959 73779.0467 214989.8298 126638.5156 108178.2050 126431.9618 558042.9787 36874.4177 105724.7642 192799.1735 127334.6712 58891.6571 40434.4911 203192.7152 114466.5936 196334.7366 105942.2740 66527.7060 212870.4276 175515.7928 77981.9059 73320.0710 250144.5442 29463.1575 25347.0390 16360.2149 83007.8785 283210.6807 164213.5966 54253.9605 43139.5875 754010.3055 101777.7045 74329.4535 167417.0428 78264.3415 67281.7677 103472.9673 7784.0390 11908.1746 64040.6293 210889.1405 177922.6432 108522.2919 112157.0034 751777.5674 11654.5749 180620.4846 204108.1541 149322.8276 64384.9360 58749.4369 183758.7006 96090.9613 172955.6423 123478.9212 7747.7189 171950.7222 124469.6097 49224.0168 183806.4424 244290.8051 170424.6981 95572.5594 106888.8749 134401.9103 444854.7870 237380.4755 111973.1341 172867.1640 757080.0602 219135.5596 112522.4535 3004.1425 79966.3498 89947.7781 125376.9903 44155.6008 102235.8969 121810.7955 393928.2825 265398.3224 123714.6196 174296.4141 902353.8021 60560.4568 196117.8573 226788.9701 283345.2443 130201.5962 270583.9453 327756.9027 128002.0089 179683.4658 197512.4383 8469.9474 235820.7707 210440.4792 127429.3835 9173.5650 56177.2923 105797.9206 15670.7791 92832.0412 269568.3751 107364.6287 90124.9688 48118.8047 7273.7486 40890.6877 36964.2013 52796.5782 165835.7664 189757.7593 92911.0881 95045.9068 235278.2810 142721.4228 92583.4030 11623.9347 109346.6958 108612.0657 195527.2392 48601.8482 10152.8587 3628.5993 514503.5231 32170.6235 35589.5817 23103.1120 314828.4246 42043.9089 61287.6606 59315.5047 43484.7294 118336.7508 111502.1556 71528.9207 145275.3752 241451.2223 92470.6155 211071.5784 8493.2801 101597.4896 147324.0315 9995.6539 96040.5873 100663.2228 14912.1827 92022.9553 180072.5214 83872.9507 91199.0939 54152.3789 41991.2568 9184.3813 108134.4674 110918.5231 81219.3055 13081.6821 136916.1418 100699.0909 198312.9697 24886.1647 39896.9546 392665.6149 150290.6328 65434.1448 32625.2523 288419.0249 23340.3919 81086.5401 89952.9324 58197.3699 122496.2419 113024.8034 182526.3892 15485.2603 134047.1239 164233.9464 62181.9955 92885.6805 349882.6730 93021.2557 147339.2554 173244.3124 180338.2314 15452.7760 248156.6649 102343.0506 465398.7745 420329.8707 107256.3516 120127.7620 267504.2264 41913.1540 118676.0529 39462.3864 181403.3975 241770.5438 273036.9249 194549.0697 63893.3419 67944.0617 342847.0910 363883.5242 276927.3655 87954.5936 359286.6135 99800.9971 86437.9859 92424.0549 154608.4680 139580.5368 155267.9339 90562.9610 14381.1650 97362.2334 144113.1062 178885.1913 95151.9998 98718.1080 204194.8286 115483.6610 99273.0079 119534.3871 62032.5389 77429.1791 99242.8290 140254.5663 88152.0333 53185.8196 63037.6127 164442.4577 127936.5466 99472.7667 12335.8752 124519.6205 114439.2655 15136.6849 98746.8926 284354.7583 92025.5039 100280.8483 87890.4153 97204.9316 91172.5267 136533.5562 121909.4937 85581.2838 16645.8672 105574.8593 49394.4823 75360.0263 105610.6289 132928.7978 85609.6830 41329.3100 151906.7001 24480.4356 125543.1618 125820.5572 8617.3101 95972.9343 93748.5142 85514.2228 40541.1769 108927.2081 18231.6367 107964.4458 155983.7546 139775.9921 95105.8743 153532.7798 164054.9773 124308.9599 170696.8780 105162.6461 20351.1145 46200.0495 101927.2554 113199.2177 120657.7225 145051.5479 190904.8916 115391.6372 116956.9144 14327.1608 235656.5529 186923.3974 153378.5095 96415.9986 200822.4529 337307.4924 146358.8151 55954.3540 185332.0643 185546.3901 102799.2215 174072.1891 149470.2277 103735.4334 22074.2309 138190.2002 77372.7262 232575.9006 132205.9858 77913.2030 196102.3030 146201.4659 133774.5104 109537.1942 20046.8130 101784.0130 128918.0496 259527.3096 182891.8746 214815.9713 241110.4584 139434.2707 89442.3614 121458.3231 N-Acetyl-phenylalanine 14167.4063 37324.3660 3846.9076 20361.0017 1278.8556 128220.4854 16820.8790 179075.3474 71991.3859 122208.9624 7769.1090 2139.5768 61739.6991 149904.4778 47477.7415 65455.6547 150385.4759 82889.1497 14859.2698 73364.3267 9081.1110 51866.9935 1093.3114 126229.8006 71268.8948 73074.2083 37348.5411 9219.3450 105552.2393 71906.1798 498.5243 40316.2599 24508.1566 55114.8257 6285.7224 66662.9738 83597.8319 137948.0073 51256.1010 112637.8250 2421.2874 1196.8102 54135.2517 3056.2575 46975.6560 3238.5809 5805.4749 186329.4404 16939.7725 144065.5675 47806.8528 2536.3013 177652.3452 114576.8288 51152.4750 150161.2474 506.2456 20056.3665 15146.7829 65428.9623 72911.9606 80669.2773 162578.2802 66821.5107 18417.2626 95400.7559 27297.8155 3502.2282 170948.4447 34929.1660 855.6967 7980.8338 126752.5285 3785.7733 139437.2113 91049.9414 2834.6367 42386.6009 157.0032 32294.8609 123481.4969 50010.3589 10294.7377 170575.6708 153.0005 199204.5069 14450.1118 3767.2554 56680.8344 181774.2254 89326.2989 47630.7243 168563.3251 74267.1537 6081.3246 2045.6942 129542.2813 62036.8472 137698.2615 79394.7540 67948.2823 78018.2701 27309.2715 9605.8857 114245.7653 71900.7010 1295.6828 78261.4766 17904.8973 42787.7341 3875.6766 51952.7584 34798.7424 144802.3046 1948.5463 15337.9270 777.4699 39924.8726 22091.3004 278.6051 44674.9746 17794.1044 108.9395 2360.6525 46234.7312 7226.9372 13137.4132 93518.6962 57643.1296 1807.9031 9796.8242 28850.6692 18157.5687 107569.5085 94630.5941 377008.0727 12237.5128 75736.7037 202118.4336 83171.5923 1762.3666 110.3903 44602.6904 36218.7182 99504.9494 32129.0367 9016.0134 2175.4609 2213.1557 49047.6469 2439.4132 41171.2783 65.5040 887.6203 22599.1806 2826.5908 82210.5226 12058.7156 47770.5704 39562.5991 47690.4963 16316.4266 1979.8772 53417.4565 567412.3078 1242.6393 60293.5313 28668.4503 25581.9692 24005.9668 43668.1857 23565.3322 122449.8024 136247.7984 246657.5907 1681.5630 61018.1378 49357.8161 48039.9565 1229.5845 2887.0091 62642.1878 15980.3399 80159.7978 9447.6647 960.0905 579.8431 24924.6218 43865.6125 13144.5128 21805.4419 34146.7734 158357.7679 21472.3642 68463.8920 83574.1204 14935.9000 96217.7253 66678.9302 28562.3284 2386.2572 2857.7230 24034.2364 13540.2415 2406.8133 2936.0836 10705.0757 48269.9684 51389.3106 51788.6328 36534.3693 124522.7040 159268.6913 150560.9917 857.2541 68384.8992 2229.9767 133693.6558 2255.0967 532.7168 65943.0812 852.5638 112682.9851 8180.1915 481.6987 68043.0981 36693.2769 34939.0563 6800.7743 41410.3672 1761.6006 55082.0166 25702.9545 44793.4711 121079.6385 2657.4245 49634.9594 26116.4890 2227.5207 59915.9137 118750.0683 99327.8326 7813.2207 29417.7287 136688.1466 2073.1032 3614.6791 80159.6704 3446.3124 104482.7719 25863.9689 43245.9825 9411.1993 109093.9149 14767.9544 18563.8969 83781.4595 1640.8495 14765.8214 92214.3858 52685.9214 5437.2600 71534.2562 69365.1847 3343.1735 47690.3995 3836.7896 99688.7096 69713.0476 1649.3833 128380.4483 92801.1869 2150.4742 60507.0817 131662.8471 45522.9015 92627.9230 67737.8743 80451.2039 41470.1062 33458.3779 7662.6787 28462.2522 89515.6457 1233.5438 44398.4722 171708.2978 40923.6274 11371.4321 13313.2188 47788.4627 59650.9164 8022.6674 126986.2394 1730.8638 88714.8355 3400.8775 53297.2322 76762.0337 480.8892 27805.1101 63169.6186 31712.1978 139738.7816 31519.8180 34710.2143 519.1865 68736.1985 35397.1264 71798.2325 28966.0774 13867.2452 158154.3955 838.7568 63609.2562 40012.9679 12190.2042 74034.7644 147104.9501 43606.4661 2419.5393 20510.6639 127058.9475 133014.6854 1845.8734 79869.7620 18694.7840 98924.3163 42676.6994 31931.0314 109823.6451 119996.5967 5776.4797 18495.9976 2436.2505 66298.3187 15283.3406 112426.4476 40455.6460 12725.1938 30821.1957 131684.8225 173219.9972 10617.6182 93712.9342 95313.4414 56518.1792 2493.9607 36409.2096 435.9381 34633.0010 96566.3603 295.4014 18910.5184 37158.6188 259862.0554 48649.1922 100.6405 71317.4645 142777.6148 2059.2118 45214.2173 1772.3193 64069.6589 50635.7831 12428.5150 980.8080 45143.4805 5449.3787 85207.8334 69406.0902 76950.2811 44807.7146 81402.6680 46868.0674 29132.9755 2775.1557 28817.7419 51549.2872 81406.4319 23249.8316 1597.4820 47791.6644 3043.0012 71607.3729 116909.8897 2065.1493 36396.3637 57996.5340 37349.8463 32786.5628 1119.8225 1581.4750 53466.6547 80594.5330 82142.1732 39346.8302 7095.0806 55811.1747 2538.6518 17924.7369 1104.0442 53522.3489 53666.4814 1135.2261 37078.9999 59389.9660 62940.8711 54853.8070 58326.7263 1013.5658 89786.8865 57333.9672 208240.0383 5053.6948 36968.5265 1697.9722 130451.2565 15884.3291 48393.4648 3447.9451 58765.6430 96939.0851 62835.0381 52231.1058 5349.1932 47255.5997 46779.5196 35178.8988 71462.4187 2924.1845 59585.8077 3441.2457 66420.9601 16676.9247 47433.8400 1863.7189 137620.1533 53217.6327 1695.3402 111452.5268 40998.2978 59623.2089 10108.8645 50844.9833 24110.4557 14455.2644 15684.9390 7998.8245 22526.2776 112746.4102 16256.7920 97460.6710 47154.6713 4567.1255 N-Acetylvaline 11186.0747 333980.1291 1243.6557 110375.2454 72171.6655 7822.0688 272375.0626 65116.6342 29742.1994 9759.1340 287099.8221 37798.0271 107130.3091 345523.0499 3499529.4855 34081.8925 57606.8652 269679.9170 82057.6889 221924.0986 236172.0170 8174.8577 582.9244 46762.5787 211609.8414 338381.5947 241941.2649 8534.9453 154572.0555 75902.1516 247746.4730 246052.4058 14148.3211 315523.2936 14093.7620 266056.5549 53969.3271 1925.3600 683654.7088 128715.3177 9244.5004 150433.4391 394340.8025 30635.2252 27254.2114 6860.6595 33113.3747 183740.3077 339857.9518 273638.1532 26991.8573 12794.7692 8027.3589 393546.1958 321810.8852 254122.0164 17872.8058 103065.6183 32005.2796 109558.2075 320712.3083 19430.7567 217299.6973 8953.4099 152379.5715 11511.5666 5219.8493 428146.2295 29626.3277 126721.8210 230402.0544 186386.9168 383141.3593 192064.5155 45953.3339 22575.0054 34414.4790 26247.6605 190905.0356 39549.2303 359670.4862 1105.5847 2030.8779 13116.1604 181882.8408 6556.5984 332047.8022 31317.4540 295525.3291 9111.2460 117897.6104 69053.3145 2378.6168 58965.5367 287950.3852 787206.7669 86594.7736 19514.5333 659071.7714 663594.5160 308912.1435 825230.1366 53160.5105 387281.9688 35537.2398 221550.2032 4379.8703 44265.9791 229055.5302 3224835.5727 45805.5390 403162.9777 1086841.0941 4923671.3887 196218.9950 757025.5942 408552.5026 242991.9923 50268.5669 574771.6408 181348.1305 2925562.3154 304421.5521 117761.4432 38770.3391 549889.4917 244553.2534 10425.8258 629567.2893 4116.8607 11853.1082 60161.7024 633015.7993 63969.0447 162076.2798 23000.4459 19612.4782 248313.9277 48613.1060 138408.1960 11417.6409 63415.8808 951488.8722 58125.8417 421878.0702 260565.3802 2615022.2162 19824.1655 265122.5216 215424.0948 55630.0453 149619.6422 327011.8183 869825.2907 307237.6230 140997.6842 1730.5297 151063.6313 139740.7328 41032.7217 45015.6189 12415.8437 86462.4816 263354.9345 5395.6846 97908.7095 119014.6598 539273.4540 74723.9469 12561.6198 7800.0443 9853.0828 182617.4328 67209.9382 258765.7868 20917.4784 72881.8020 130671.5993 383502.1567 49342.3688 43901.6382 599393.7650 188349.7105 151081.6419 191453.0384 16838.7284 217089.6620 284612.1888 285205.8671 23992.2248 204086.6337 251949.0764 38643.1337 229237.1295 646627.4380 36527.7353 352401.0851 50519.7022 12799.4956 46454.8334 263139.1998 125361.0224 653544.4658 410292.4550 300467.1421 375456.8453 23947.1187 43997.0846 192106.8695 265917.6341 76664.6390 272213.4261 38122.4399 1068905.9814 813.4968 105312.2055 76956.8777 114232.3216 133599.7426 184796.0110 15311.9146 250733.4119 196686.0792 50670.8065 367566.7976 407645.1276 23049.1767 379624.3819 2257.0171 359931.2099 82009.6693 290342.5124 328777.5884 61343.5924 41678.8248 57734.3352 373978.8205 263805.9544 76289.3736 14915.3326 41916.7037 35411.9508 42142.0829 1251645.4686 39411.3950 203588.6849 934089.3848 85253.3875 183208.4299 154977.0633 265345.9439 31654.9828 24859.2585 4295.5672 140109.0209 396696.3121 54093.5208 331924.6692 186922.9465 62063.3263 58965.3975 3454.7626 35665.3358 69134.6842 188181.9615 341813.0296 167462.4025 435.6992 46094.5433 363211.3510 249666.0858 32619.4279 35483.5298 8900.0958 63755.0847 52908.7811 3743.4748 24129.5406 19226.0519 18118.8824 6770.5079 30397.3395 6700.1468 227533.1426 22621.2201 292488.9138 18513.4318 249777.6938 456241.0522 5756.3828 248492.0785 8766.4282 272353.2988 27179.2072 105980.6934 853.9198 256466.0500 236930.9817 106602.7403 144589.6233 8161.9355 95565.1156 145912.4159 73389.1043 407810.7780 59700.9328 219076.2765 16854.5052 40617.6349 72817.7624 244852.6689 167778.6530 198271.8456 323869.9342 27949.2169 292605.1052 52043.7262 248304.0805 214406.2802 44251.5223 15240.0725 22034.2005 272508.3782 360561.3928 30663.7211 245830.9177 179680.9650 360709.6629 26474.0517 239113.0963 113510.2265 264515.0853 30059.2570 153599.4703 268234.8131 24142.8895 216432.6260 152187.2126 9713.3441 438724.3540 116688.7192 52057.1752 181980.7994 197047.3377 278031.6745 53009.9556 296994.0640 19854.4608 221792.6655 101614.7320 346678.2950 39770.8154 35958.4780 31973.2653 63553.8166 4745.7417 48805.9017 149600.8918 293918.7640 30050.9812 9027.3389 77615.4793 188768.2955 1379.0362 114770.0283 220896.4256 287360.4989 107385.5902 378550.7753 69397.4771 144265.3388 302086.9626 1215.2202 291697.1760 91864.6377 65270.7704 333833.4659 10959.5582 Naringenin 2651.3121 2278446.2933 2030.6449 2142683.0902 2269615.1108 2137896.4334 3032.3604 2753820.6711 2085490.1566 2734045.0776 1230.6406 2305.5606 2172247.5254 2641620.8650 1499611.0160 2720473.6959 2554558.5435 1978148.3963 970.8547 2255.1390 3849.8525 2432917.2285 2151345.8059 2389669.1886 2596133.4653 1641561.0472 2363207.3864 3073.5289 1694874.5400 2518954.5864 3176.0023 82524519.3732 1099.2107 2244655.7763 2512.1369 3539.2920 2588656.0356 2065628.3456 2181901.9589 1647916.4448 2369522.6714 371.3635 2262163.4058 3547.8672 2142546.7695 2246874.9546 3122.2660 2766575.8730 2089110.6786 2727688.7127 100.8382 670.4790 2635000.2613 1509497.6372 2707499.3032 2542001.2718 1963414.7798 3728.5001 826.3404 2107.0455 2428090.0118 2157344.9083 2396658.5292 2592215.3803 3748.6293 1700450.6346 2510152.6960 1447.3243 84259198.1078 2401.4935 2239264.4085 1477.3920 1281.9219 2592412.0849 2059007.7419 2125213.7786 283.0828 2271852.7896 3904.1761 2137565.0788 2275291.6897 2131834.3823 500.4693 2760791.7311 2077061.0005 2740636.7873 3602.6348 847.2501 2171882.3471 2647196.7039 1516118.2408 2709861.9435 2548157.8600 1969220.9847 2472.9172 3419.7510 3378.2859 2423262.7950 2149567.2763 2383417.3218 2601212.7066 1654840.0752 2350820.9152 1085.0412 1631840.8013 2513740.0992 708.5214 99939370.4880 1788.5785 2249482.9930 180.3035 1541.7166 2558133.9437 2070729.0721 2416520.3402 3558.4759 2025036.8001 1574283.0050 1120.8319 2032525.3272 2221493.0903 1558.6293 2825.4636 2661159.4274 1370.4736 3980.9907 639.7812 2257625.8521 459.8832 2259137.4264 1675012.7289 2292927.9435 3510.1741 1780942.3877 2787274.1458 1679.7782 2303970.0778 2737031.8820 661380.4984 2211020.8397 1828679.2137 2720444.4020 2654969.1977 2340286.2611 2224522.8337 3890.6636 1201.6976 2780476.8325 1708115.7473 2152169.9291 3509.5809 1528864.1822 1998884.5102 2403279.1328 2099.2306 2012093.2912 1581455.8033 2566.3807 2039145.9309 2226440.9488 2115.9535 3395.5185 2674324.4475 3914.3475 1168.0149 533.1291 2251005.2484 801.8145 2263964.6432 1661372.6962 2288100.7268 2141.0684 1794183.5950 2780092.6496 3668.1956 2290728.8704 2727377.4486 3981.7098 2197821.2188 1829364.8000 2713060.1037 2650141.9810 2350854.5442 2223023.9489 953.8436 1393.4192 2790131.2660 1714047.8995 2162593.0920 719.8759 1534070.3240 1992525.5622 2409697.1211 3883.9672 2018702.9966 1551173.8338 1857.5711 2036557.6146 2219018.0446 3728.1785 1088.6617 2666279.0675 2466.2208 1557.7368 432.9639 2244141.4231 605.7450 2254310.2097 1665889.1827 2297755.1602 3435.2548 1787562.9914 2774032.9384 3007.0904 2297349.4741 2729098.5400 407.2760 2201926.4926 1847148.4244 2704349.8002 2645314.7643 2346027.3275 2212360.8442 1515.9548 1208.2823 2781792.5194 1721356.9546 2157765.8753 3685.6328 1522738.8445 1985549.9948 2751513.5322 1408.1612 3527.9205 2476105.7732 3663.0550 2692468.2577 1595044.4710 2331545.6773 2621178.6807 2681105.9747 1298.9421 3288.4821 2282.3274 1800536.3823 2406536.0096 2991.8996 2669450.8479 2552221.6673 1747429.4243 3993.9642 2365336.1944 3863.2086 1886611.5133 464.2969 3938.4617 2575163.8553 1628338.1163 1115.8817 1946457.4795 2178178.6080 1351.3342 1665.0587 1840527.8207 2628379.6577 3675.1621 2535691.2063 1754459.9730 2581761.3322 2595.6904 1813703.1681 2462864.5659 1426.1100 2663914.9368 1734349.3489 1658.4044 2582035.4320 2746686.3155 3077.1623 1215.9588 2489117.3072 3596.8564 2693586.9315 1608806.6922 2321891.2438 2616351.4640 2694585.6944 3991.4443 2720.7330 416.6965 2547954.3227 2360508.9776 2124.5014 1873630.8391 821.7918 3474.0414 1620438.2699 3539.5374 1949105.4498 1934953.4682 3296.3023 524.2011 1833907.2171 2621759.0540 2450.0491 2529070.6026 1767701.1803 2587388.1636 3493.3014 2754845.7079 3451.0010 115.2448 2482199.4559 677.1047 2703241.3650 1595132.7476 2326718.4606 2611524.2472 2686755.9091 1545.0275 1042.4415 3614.6262 1806364.3707 2455683.0460 3386.6298 2659065.0868 2543943.2131 1741218.7657 208.0013 2355681.7609 3076.2102 1774659.3917 3151.4310 2110.7049 2568470.9578 1613457.1262 3972.3520 1935090.9331 2184799.2117 454.0696 598.4103 1827083.1316 2615138.4503 2491.9112 2522449.9989 1761080.5767 2577733.7302 3304.3112 2458142.4257 2501969.6977 2215692.4759 1555841.8629 2413608.3616 2759554.9278 144.0216 46.6127 2798177.4725 1893492.6501 2374990.6278 2105351.9676 2624.0255 2481189.3957 2558424.8633 2399126.7114 1197.6998 2557.9795 2336118.5017 2186729.1756 3776.5244 1899383.6522 2452226.0954 2680662.4606 1472.1500 2595.6000 1892.4644 2626005.8974 2312236.8104 2030.8688 2529461.5629 2310590.6814 3802.2494 2429236.5115 2465620.7563 429.8568 2384645.0612 2111972.5713 948.2760 2476362.1790 2568079.2967 443.1631 195.2916 2343693.6998 1896622.6962 2445895.5091 2683932.4981 2307.2681 2324114.0249 2317064.0271 2461880.5288 419.9609 2495671.0459 2495216.2360 2206038.0425 1548907.2971 2408781.1449 2765995.1824 3566.6509 1518.7701 2388748.3093 2191556.3923 3594.8177 1931948.9937 3653.7354 225.3127 2885.7709 2524634.3462 2323831.8888 1323.1386 2441809.0091 2499907.4826 2507491.0266 2210865.2592 1547044.2222 2418435.5783 2770822.3991 3096.7752 1934.5633 2794958.4827 1906733.8575 2379817.8445 1078.0582 2486016.6124 2563252.0800 2393093.5667 113.7609 913.4956 2350314.3035 2118593.1749 2196383.6090 3873.8388 1922485.6712 2442571.6619 2679105.2814 2727.7503 1517.1309 3685.4849 2630833.1141 2306479.6447 3384.3069 2534288.7797 2316997.9376 3231.5889 2433972.9401 2455870.8043 2642.7838 N-formylmethionine 40804.8368 74851.0864 59025.3800 53590.1073 63831.5371 65749.9873 53112.2121 15569.1629 56572.1440 2278.6861 52527.5533 34299.0779 38486.0960 1364.7663 99244.2886 113555.4923 479431.6131 13547.7687 78771.0191 120478.3236 58746.0366 101924.7541 2542.4660 3935.4509 100678.9077 279874.9806 321.1726 38083.5877 14827.0071 19595.1892 47322.4580 75733.8390 71694.2097 48390.4493 55730.8981 111647.4782 12717.0018 1720.9450 39678.4100 322024.0716 23998.6047 36657.4242 44091.5097 43607.6182 54935.5415 101996.9337 41066.2028 21958.0443 30691.9379 3048.8165 58028.0552 30683.8244 64165.0808 71816.3659 56249.3741 88419.7362 27416.8815 83790.8717 38553.7928 68544.7904 54613.8058 1282.3172 48375.3790 93211.3428 37679.7088 187811.2184 45661.1090 62297.6492 87861.2642 93624.1897 51051.2808 58243.9975 138177.8584 104496.7273 54053.3196 129659.7881 31568.9091 61340.3795 55021.6192 71662.0820 38208.6615 161671.1377 32979.5924 40064.5345 2639.1699 11.5196 57010.5783 49820.6237 33872.3995 76664.8921 81042.2902 71494.9999 192780.0249 219413.4892 69821.6117 23487.1831 226656.7053 68059.4906 5959.2012 153549.5586 58255.0461 133898.6233 22819.6818 31327.7431 19324.2688 45036.9011 65161.5069 81567.8095 69717.3507 52125.2982 44331.9176 106226.2578 124665.0921 42222.1232 62810.0581 83464.9679 340671.0320 16528.8404 56003.9525 113923.1084 107712.9144 99122.3534 99182.4736 184155.7149 65363.8329 9987.3749 49622.2238 2524.5229 82168.6019 79508.4494 20951.8062 38293.0010 65744.4096 17207.8842 96260.9302 506553.0496 175101.0803 60498.5802 101878.3324 274557.0947 239792.8183 201243.8468 71738.0859 68365.0303 611.2505 62214.9603 136580.3214 198343.4084 314119.0929 30754.1157 35870.3894 114372.4665 275922.2047 186002.1366 63943.3393 294075.5190 7138.4721 50906.5459 155523.2664 122305.0130 186419.9462 93908.4991 80162.5435 66149.2991 309348.6067 34905.9668 3561.9018 63244.8940 122615.8341 1351.4529 34247.6517 35737.7450 3303.0366 162.1771 325698.6937 100212.4835 46679.3161 21499.3608 301337.6460 127281.0202 980100.4823 75688.8379 63682.6778 3883.7838 43949.7607 85864.2132 109101.6852 134237.0039 53476.2012 79133.4363 173307.0578 88173.9857 2502.7212 74537.7850 56501.0719 31180.4832 54760.2689 168519.7955 78423.7044 84774.8292 68002.5789 156560.4027 67373.8578 99317.6246 37184.1410 97997.3046 25562.0176 72120.6095 68868.3972 29503.7188 62480.7591 31267.6380 18284.4549 169751.6917 102856.5274 56575.5208 45706.9211 63050.0964 86250.3046 183259.8818 81821.1182 82953.2721 74722.5563 85054.1206 98560.6988 90628.5888 131639.3868 64056.2511 59046.2393 65645.6240 2724.2630 48017.1562 38686.2272 74891.5011 22024.0845 35804.3542 71121.2643 187343.1483 135635.6283 41327.4312 2635.7929 64561.1901 7899.5299 83647.9483 3086.7476 50653.1295 75293.7236 48216.0882 87392.5339 61560.1275 65499.5626 49659.0784 33888.1573 708.4188 54431.0488 77165.8824 70705.5852 286591.6826 50510.8311 208573.2366 139082.1421 64445.9094 54237.1940 149788.9745 151149.6442 106935.9429 91828.0728 61521.4314 57668.6694 29232.9062 55409.3699 8393.6364 73190.0279 34440.4498 16217.6944 82080.9113 195677.0830 43747.4776 47757.0899 81239.1219 3774.3081 34424.2032 60104.3665 86699.5581 75501.8431 43480.6036 1600.1045 48145.3335 43567.4578 92413.8313 85721.8546 47210.2300 24905.6960 3410.7796 1646.1226 101294.6934 218538.3609 54387.2535 113479.1929 100908.2814 78461.9110 53769.4372 88402.8213 35266.5925 149312.8512 191905.4928 6431.6993 63530.2385 70136.1948 63466.9823 54070.3488 64363.3163 34518.0604 32988.6348 43497.4586 71808.3559 54938.9460 42659.9408 14957.1702 65785.3750 48975.3290 72735.7870 34020.4258 49683.3220 85699.6282 38551.4720 64267.1616 21741.4288 78041.0801 53856.8691 15655.9621 2614.9129 66723.0367 93515.0802 216701.4213 115222.6792 61167.6649 73154.4678 92906.3937 60530.6797 57019.4872 83670.1777 59909.3963 55990.4217 34285.6329 99790.1806 58061.5845 67640.4474 35004.6018 93124.8459 81024.1969 32330.3820 114272.1496 75411.9406 52704.3639 182874.8088 107994.4846 1284.3789 29892.1339 46991.9172 40449.9311 29039.7120 76456.7730 69208.9443 139653.4103 33319.5600 73045.7213 67157.5675 51504.3057 87554.4459 48240.9074 36924.6968 52589.2580 139264.1823 40571.1652 46802.5685 78787.2482 48478.5897 59567.2032 99499.7145 85222.9746 135112.4451 55626.3436 47770.5372 42523.2182 53756.3040 37934.7964 49824.7244 67996.5806 106560.1688 70481.3544 97943.8001 8576.0920 66125.7672 44137.7444 53030.2635 52110.1809 35331.7515 58469.1481 60444.6799 32563.5529 63438.5999 35501.8283 42919.5508 105912.8817 67732.9901 42481.8750 136444.3011 43977.6617 30673.4738 50598.5568 49679.3636 61089.5106 115481.6777 50798.2643 69966.4992 126234.2726 114842.6279 71530.5999 24464.0112 2362.7120 37788.8479 54677.0239 70052.2398 52878.1292 35936.2168 99157.7109 105651.1471 8932.0270 55696.3459 47499.8944 42704.2635 128073.2124 70997.2417 56906.1351 46388.8937 196868.5478 23552.9865 80996.3632 73807.3573 75862.5666 86142.1340 79137.1231 118508.8770 107657.8368 52115.1052 65735.4599 40144.2162 64045.8656 73172.1635 183502.0741 60897.9189 36133.8739 52347.1723 56987.0777 N-Iso-Valerylglycine 75105.5198 155732.7140 130867.3862 157789.9078 412766.4840 3741.4880 98141.3288 291.3421 3621.6273 2780.6225 68254.6749 95240.0509 290674.0640 158692.5444 5854.5490 129885.8502 425496.8611 8766.7019 192981.0817 211767.5020 79549.7981 126210.5632 2783.6680 2979.4686 132054.6855 3784.1518 3980.5808 93950.7500 571.6326 337181.9142 76203.7248 154577.1280 120211.4273 300363.1995 138287.6763 227645.6703 141120.3723 1128.9895 291965.9487 537.5963 104.1698 73965.3595 114295.3049 90268.5073 286798.4098 662973.3615 88838.6624 104380.7793 1855.7131 1820.2163 147088.6878 63269.3633 7184.6872 170.2770 168384.3142 259.1927 537383.4832 199384.7973 76311.6851 200171.9027 167707.2018 1127.9584 764.8393 107723.7677 94588.0702 199714.5249 232317.1770 94608.3878 829465.1133 107711.5597 197132.5303 145503.5571 338587.9454 747395.2483 1285.2393 2419.8364 75230.5374 304238.8536 124597.7611 112554.6179 2830.1750 248.1955 100605.0453 873.2258 3722.8968 3935.3575 115139.8312 160088.0607 291320.0064 147537.2375 3930.6344 180132.8074 110532.8968 243410.5948 141082.3825 71663.5408 243198.3413 161135.9619 23355.0039 115443.8344 348162.9344 2755.4614 3583.4640 84184.0439 347.3703 187646.8739 107759.4230 257494.0102 132002.0709 191832.6971 114176.8435 221899.6297 82646.4249 3871.6873 251253.9145 120245.5053 93769.2358 229151.5454 118661.1870 102698.5830 63982.1548 171284.1273 119948.3850 693.9563 82618.6832 99324.8726 92593.4478 2562.5870 111027.3812 129752.7843 359053.8048 306822.6231 106529.5269 641.1783 31671.0726 638099.8720 480042.6384 233013.2109 899917.1909 275043.2537 384706.2267 1127053.2992 202648.3892 160132.5903 1761.3072 84536.5765 219590.9678 2098.1274 851855.0332 288090.2945 72577.8882 77930.5654 319407.2796 869580.4136 130135.4720 89976.6317 3156.2980 99532.5388 14100.0812 50075.2296 245809.7084 132592.0847 638.5081 168193.2022 612809.1251 86164.9954 456.5540 140405.3990 117371.4085 3780.6453 306176.6807 78.0932 1224.1416 3272.3090 379477.5192 894719.3232 215657.3503 386650.9078 489696.8164 64623.9962 3056957.5424 130346.7971 169549.0431 889.2404 70407.2510 95270.1480 174265.4595 292028.3662 140878.4622 123594.5969 111928.8121 2839.4527 3314.6156 162283.4349 1378.6643 624.0456 92052.4113 29904.6642 197228.3208 141828.8303 93176.2368 278739.1249 113598.6284 179981.5472 106694.4451 2538.5994 2175.2260 301655.0842 69033.7020 307468.5655 147738.8694 593.7199 1735.0386 274047.0156 129443.8194 207549.3316 109596.9852 1867.8871 99017.6766 142614.4007 182851.6725 125567.3364 367.8713 141823.9738 228155.9000 213721.4145 123567.1498 103338.9925 103993.7070 69491.4674 1436.9936 215145.7765 82691.1247 121926.3094 2902.5742 495279.6590 188958.4195 257285.3377 1220.1139 211360.0349 2891.3465 126195.5922 88839.3760 832.0097 12333.9773 109434.8800 101711.5223 229998.1794 101772.1435 1748.9939 113625.1841 316511.7586 88062.7944 381.5416 130167.1098 132400.3245 22588.5731 274476.5354 98177.0481 3910.7148 19083.2491 101330.7435 72461.0635 85080.6180 1088.7539 204656.4899 1126.2253 16562.7677 212295.2532 178642.9391 339691.1711 942.4618 101506.8772 235492.6808 2617.1729 144691.3850 223733.9674 231396.6448 128697.2233 145401.0837 2827.9692 340867.3312 119567.7007 83274.1492 100518.7483 164367.2379 3084.7815 3246.9570 134093.6420 123043.4261 140625.8408 262482.0154 111601.4511 3642.0067 69103.7574 170892.2537 113132.0981 210225.9703 53894.2314 529809.4518 135645.7391 120736.9705 2091702.2680 3573.8617 198224.6848 3764.7703 627681.8109 85425.8997 602245.4092 189963.7579 139669.4355 117196.4095 3969.0604 110838.3402 361727.7241 155010.4837 179781.3662 207462.7683 2312.6885 129721.6627 93049.6570 134254.6715 3283.6474 408.4573 139409.3710 277823.2977 182547.7240 707.2055 120826.7501 147679.0828 88584.3711 2198.1799 86369.3991 132992.1364 314885.4445 32892.8198 132489.5888 10995.3037 300.4596 134476.7770 133099.5817 59181.4609 3230.9781 134914.8935 312.1692 69420.7338 208855.1591 142199.6015 229637.1768 3846.0697 157683.5025 3404.8242 86703.2013 214545.1585 100105.4987 661934.6314 157200.0995 28245.6862 317803.6433 169.5786 66680.9384 214821.5355 83575.1488 183991.3357 154094.5877 68028.2694 354193.9665 168602.9897 128779.1764 3154.9535 219257.0093 209220.3044 107958.6823 329862.0173 77286.4701 227947.9875 3927.4565 150925.1882 115665.6874 19119.7855 129194.0991 15162.7505 192321.4615 84926.1017 319095.5280 2817.9184 66417.3982 182993.3384 67888.3934 174007.9513 107543.9784 729851.1280 108434.2802 231876.8724 196343.5172 366.7502 206412.3930 55842.1441 129962.5187 96460.6622 186942.8088 12117.1842 165197.7036 14608.8473 3570.0351 199450.7349 102237.5553 527693.6271 208597.5748 293257.8334 134772.6181 3994.5648 103854.3630 498595.4585 96319.2048 104175.3715 861850.7509 261546.0550 939.3106 172684.8901 1295.4577 179806.5738 59496.1617 187665.8313 370770.9172 95410.2851 216050.1478 52366.0225 1060.1344 318449.5857 130886.4734 143074.9141 74734.8281 145194.6807 139833.4376 86893.2135 507181.7932 2637.6152 145707.2398 129034.4343 132440.9237 181271.2335 176281.9351 169178.2589 178546.2567 132414.3450 176379.2158 184911.3440 168000.7513 16165.9921 80982.0775 129686.3741 3091.2310 177550.1302 3484.6641 NP-021797 19138.1838 480627.5312 421927.6833 152006.2262 347000.9250 314080.0701 1281674.2343 301489.1799 309001.4070 1193798.8442 530831.8119 4079162.8795 5028.5617 336067.5080 494460.9802 2349680.4644 538923.3687 1769928.0547 211987.5406 555300.9237 185658.7558 797310.2395 352717.0597 526489.8594 69571.0465 241111.4708 1770669.0553 438899.5452 428007.8540 194683.8828 1144373.0728 141008.0386 1018452.2561 1852008.2405 499690.6061 421386.2071 79825.8650 153024.1593 288546.3738 452261.0529 3157167.0630 550574.9524 119694.3949 5041693.8819 484464.5144 39716.5284 850824.0828 427922.3408 337665.8716 317034.3641 106058.5636 32202.4056 140400.2835 482829.2407 440685.5515 365279.6072 192682.5138 466039.5785 192276.8677 413440.9880 22512.8687 2179939.6312 322759.8638 1005434.7197 3354320.7416 280837.0052 1558417.9995 187113.6181 1009339.1570 467013.4731 298086.2654 387766.9911 247961.4680 87776.3074 406835.2288 547687.9054 543259.3295 3459175.5904 650322.7881 430705.6461 95599838.9075 146315.3708 451220.6679 39598.4314 455594.8656 456008.8466 1337043.5591 459961.5004 2345746.7734 5720700.6218 4644758.0256 508441.9954 4058639.1405 1120321.7034 1887383.1315 506427.7648 369197.8549 168356.0699 696790.1276 544764.0799 379933.3123 452413.2438 779867.2662 1060198.4639 517268.9736 68827227.0374 87854.3229 28210.3633 428784.4593 16298.7086 384257.7498 95690.9553 524565.3682 188865.4928 477443.5235 51741.7381 3775487.6064 515621.8222 1515475.3323 1396469.0469 1868722.3319 391272.1618 444955.6935 131046.5466 78013.6621 583762.4404 291527.9161 212308.6398 272676.7297 591900.6409 2645662.4528 535004.0869 103513.7764 375827.9076 1213644.0579 329387.6294 615930.9030 502477.1498 263567.9446 436593.0082 41640.6339 2466753.8710 3014516.5043 138407.2505 522961.4644 112761.5755 136182.5127 1872592.1900 298104.0533 416940.4296 640316.4386 108244.4414 247665.6322 458710.6496 446042.5760 574428.3886 166378.9835 313860.8146 327973.2613 475592.6708 150006.3704 299899.4736 211358.8026 482864.5179 3033.4705 1456124.8872 227835.4995 485110.0998 509766.6075 8341804.6547 487016.9438 185781.0989 2040467.6270 127245.4639 542923.5873 2974122.4135 597847.9928 380351.1373 158132.0705 1178329.2255 79813.0457 435183.9175 781845.6393 8308251.3323 534488.1079 295637.0096 480999.2657 404247.7524 424516.5375 71812.1643 238912.3946 727290.4878 207138.3937 494400.5871 850125.9419 411064.5806 495085.9011 1872591.4855 44611.2671 250189.7113 652175.4917 381423.4705 489353.0427 74451.2483 446108.6989 105638.2423 591954.2467 185848.2560 108944.2971 2553600.1057 490620.8295 169114.8405 230516.6437 110622.9830 866869.9879 519427.5990 467723.5634 469633.0892 24083.5545 527665.4799 1000572.5381 239232.5909 262646.8473 1704992.8568 676252.1154 520733.2087 866295.1843 1199.7790 16505.9094 356949.2358 229364.2690 388718.3074 411602.4112 439447.3811 334237.3873 460399.2678 1106313.3998 546940.4981 544477.7476 509971.4078 545836.8912 503005.4164 13592762.7218 459505.5046 420936.0348 235408.9209 485603.9271 559718.9538 273578.2767 39497.1041 519736.1604 258980.1126 400136.7014 573076.4232 2142128.0103 367444.1954 204073.8115 557414.8563 498936.4184 551752.2754 3454967.3690 567460.4327 460100.0313 528540.2557 809099.1454 523829.7937 364033.6329 367746.1726 202425.0814 482573.3896 472730.0920 446267.7704 459854.1510 216578.2574 444223.4180 440652.7216 135103.4033 59929.3943 265057.6731 465300.9142 1167567.2509 493596.6434 131058.0876 395697.7273 387387.7830 528112.4231 309177.2394 1150311.3228 502024.9076 464904.6056 488398.9717 527987.4558 438483.4139 362044.1747 4215816.9318 192672.9758 422419.4767 672656.3449 57301.4346 557245.4878 794330.1084 263004.1039 2240350.1365 401654.2297 131528.1641 304310.5074 1661506.8911 123105.8722 558182.8535 Ornithine 64942.5432 98162.8363 100640.7020 100781.8605 113204.5104 85777.1159 114555.0083 100083.7792 81647.3250 109977.2098 111727.1112 100863.1233 116236.1653 140010.9900 119539.9494 110675.7978 99430.7868 96422.0532 167042.9714 198410.1041 80192.9412 111316.5609 137102.1251 71710.9547 99886.7432 162101.0508 76610.4891 101110.7872 121095.5724 95964.9807 81314.6600 160209.7451 68750.4261 90945.2045 121364.6830 76352.5166 113432.0398 86309.9276 116142.7098 146785.0858 81934.5595 68408.1499 87848.0413 87519.3546 98830.6040 101459.8636 59882.0054 91106.0940 76012.4371 129933.4445 182351.4489 75626.3798 69589.3199 101021.9323 97798.7447 59548.1955 122960.0033 200293.7269 81395.9949 152488.6178 99143.2107 193633.1158 75881.3516 91543.1183 107388.4993 109437.5753 121686.1255 99010.8490 120660.4495 79130.3050 88027.5607 139213.3172 101097.9412 90873.0500 81702.8203 74353.5947 53753.6884 108917.1994 91745.0365 109571.6792 114850.0349 78838.2139 136771.0846 137248.4519 120061.3639 80407.8889 229241.3445 165231.0071 99010.3373 67066.1394 85147.6373 112598.4093 96399.3713 115877.4712 150082.6487 180252.2349 136703.4531 107615.6042 73778.7268 155967.9968 94803.2088 187937.2974 109616.4920 64313.2009 88306.6362 93588.3666 97129.3981 198570.5962 61846.6840 98184.8516 103919.9744 190963.1565 89750.9619 89979.2441 103120.2877 77212.2864 88637.3784 108596.6533 47040.4414 92864.2570 121696.6205 272855.8707 79508.6041 73430.7686 87214.3649 178704.3806 62396.6091 121273.2692 39349.8751 132776.3570 218730.9455 99125.2617 76520.3490 83670.5040 117976.4633 126950.7921 69684.1831 120636.1055 107428.5961 44358.8635 177651.8404 86154.8955 112028.7685 123291.1657 96137.5447 105015.7126 156708.7556 99034.3528 68513.3542 93107.4398 67035.7435 135871.7790 140049.6419 56269.5862 95891.6214 92228.8776 130347.2127 62730.9641 46803.1792 92544.1836 158096.9451 69982.0366 90394.0326 29683.0179 80709.7886 33600.2767 68026.3445 94978.6957 112307.4559 300737.4273 92623.7212 29001.6410 86909.9784 72074.4526 187520.4902 59576.2285 104078.0059 86078.3907 70001.8999 94470.3099 101688.0440 98267.9722 156223.2251 79023.7070 70650.7695 82074.6213 91756.5003 81837.1613 97455.0926 29140.5164 113920.0908 65129.7901 82992.5245 79083.1428 188614.2008 117034.2245 58997.3230 89975.8759 155480.3869 120184.2784 99575.1586 112375.7712 92776.7877 144422.1651 120211.1825 134394.9972 71949.3359 95495.3586 103531.7812 110300.1575 207918.5034 126511.1482 121481.4397 146500.9881 70142.2544 103617.8439 88106.1368 99388.1645 126343.4443 138196.9080 121846.7064 160032.3425 106244.2219 174232.6795 182974.9712 90779.8542 66792.1376 119509.6251 56778.2625 134685.8190 89731.5209 104510.5623 120093.1932 167391.1111 89303.9275 177490.4023 93279.4879 83469.7663 82047.6206 99615.7416 143662.6229 171050.9585 120930.8756 96402.3030 102462.0997 76673.8039 114214.1203 106997.9615 90980.8367 95890.1543 93102.4790 77044.8066 94355.1390 108451.4814 128470.4082 91169.5777 84164.4319 91870.7964 40907.8547 230957.9988 57682.8789 120730.5240 71628.5302 171383.7519 73350.5365 151763.7049 102832.6192 139747.2733 94970.9328 90985.3792 58229.5755 56312.4164 85493.1669 110208.3291 95616.2926 83981.6294 131901.0089 95952.6660 132138.6465 130014.6213 61662.5138 259545.9360 105539.8342 85352.7049 98920.0116 101334.4699 77218.4351 68338.4114 231579.5172 44642.8794 103886.8040 78081.9985 143364.5984 121731.3456 190695.4350 85318.2785 69331.9933 72752.8045 87731.6260 106602.3532 93458.7141 137408.8972 168657.0224 71520.8620 63481.8995 102884.0414 65232.9068 92411.6249 82069.3826 120577.8871 150792.4650 129832.7638 95191.1833 84075.5566 95066.4700 105759.1498 102885.4895 103219.5216 150237.4517 170502.0933 130100.8513 91647.9690 103906.1878 79891.9153 136113.3605 98687.1748 99535.2543 103854.5656 83839.5891 104572.5073 148110.5286 102753.6241 61067.7428 55779.0386 172388.6791 113556.9426 95161.5959 103219.1730 112986.3721 94463.4708 137611.2072 151126.3254 135943.7979 92175.7500 94903.2278 115909.7761 99355.7960 95346.2581 99406.2115 124354.7474 81374.8168 66187.2387 90434.8449 105477.0083 114177.5965 105000.7070 114225.4019 70026.2129 90605.4012 52995.7331 33267.6689 108623.4016 92389.3868 96638.8230 230505.5570 84103.3846 85331.1177 84514.0819 225805.2744 83778.5679 83280.9164 104716.4788 67412.0536 90820.4829 83975.1792 103736.2902 95260.5098 89064.2652 104636.9667 75827.3236 72547.1115 70263.8324 95792.4116 103716.8894 83584.0476 72022.1052 35993.3885 121350.9653 89738.6203 267720.1840 66285.2699 95834.6360 58471.1178 89084.7632 110713.3680 79582.3051 94494.2033 98835.4088 101108.5135 95157.9854 99140.5603 77767.7568 78733.7991 109620.3173 98992.7270 99011.7841 63859.0702 37356.5909 119188.1386 101627.8571 191958.8903 55639.5630 87743.8459 71115.1049 99470.0849 101509.2392 74576.4493 80729.8642 101830.4329 103231.1716 90921.4938 85405.5786 129908.7707 94631.3960 101360.4575 91291.3018 123425.5343 113046.8059 89162.6611 110331.6958 59325.8262 120516.7834 115656.8972 103668.1369 193316.3638 70589.4870 73278.4383 95468.8739 123519.3857 203063.2965 128702.2985 100315.0981 103654.0841 83384.1945 72784.2896 159998.8584 119299.5255 121798.8378 204117.6783 118483.3243 93237.4031 109350.7389 75996.2625 102646.7855 138076.8841 Orotidine 21164.7565 22001.5577 20854.2222 25502.0836 24268.5364 22740.9407 14803.7396 28492.0210 23704.2600 28734.9190 13695.1973 20595.9368 22972.4091 28350.0139 35337.0487 27814.0961 308031.1872 20841.1870 11814.8794 26974.3858 22786.5426 26927.9797 21728.4358 24235.0052 25317.1706 19952.0386 25226.1883 8492.6240 19733.9226 19426.7295 16441.5242 15904.9891 15707.3302 75884.6953 17869.3599 197904.2915 28209.5598 21813.0261 22977.5884 31267.0067 25646.0363 21719.5164 21924.4772 20604.4128 20607.4988 24511.9372 15307.5721 29307.1967 25696.7825 28910.4221 15011.5658 20181.8378 27528.3079 56918.9997 23171.7729 177817.0230 21613.6581 9105.5354 25484.3573 29821.8550 26505.8396 21925.1429 25679.9144 27349.2216 8888.7611 22180.1069 30393.3365 18246.0374 18581.7490 19384.2979 84516.1093 13424.6240 231425.0304 28852.7748 22127.0220 31921.8023 19807.9663 23140.7446 22986.7646 24338.2557 24384.2494 22563.6104 15954.6230 29828.3369 21676.4730 29090.2486 14129.0702 21586.5389 20747.5122 29297.1576 63592.3076 22878.4253 135182.4526 26950.8455 18434.4656 21911.7420 26853.0972 25276.1957 22425.9168 26045.1825 25478.2598 18358.5353 25615.0904 8989.7735 20447.8644 26727.5454 18393.4955 15890.1800 16728.7834 68799.6642 12572.0140 166450.7159 27798.3649 21808.4237 24059.2700 19452.0971 27247.2564 17474.3294 15490.9107 25903.6386 25089.9178 211335.1451 24741.6921 28507.8484 18833.3700 19473.8210 23547.0169 24731.4468 16376.9082 22607.0968 21346.6897 21340.2807 16856.5563 19134.8046 29067.8793 93823.1297 52098.1582 21316.0746 61828.8574 59457.4593 26017.4938 28334.4521 24393.7231 22512.1919 22353.6754 19687.1627 25165.3854 25564.6019 34615.5773 25463.2344 18881.5920 16952.6433 44298.3210 26735.4048 21977.9341 26359.8450 19470.7864 12513.5739 32444.4503 27283.8483 207491.9066 25138.0777 28396.4863 18675.7090 36551.5060 21322.9251 23932.5430 16704.8115 26480.9553 22189.8738 20906.0754 12503.0218 19178.8688 27877.1387 93559.8616 67799.6473 23832.1425 36545.2997 65532.1171 19255.3558 28446.7458 27269.1131 22207.2952 27467.3296 21442.5362 29086.6143 24617.1425 21164.5351 21915.9982 31022.7351 18633.2511 23363.9018 23985.9125 19072.7754 21886.5099 17102.5296 12208.0393 22070.4174 26210.5508 41307.0074 23233.3112 29328.6941 23731.8774 18049.1974 21402.4499 27142.3139 10181.9505 21714.2361 18036.0145 21270.0454 13556.9893 18554.4956 28236.8822 81944.6573 123034.9376 21865.2211 25666.2987 25646.6299 19310.6528 29035.0958 24041.0723 22772.7833 22971.2443 23402.3036 26412.8689 24610.4245 18927.3720 26706.5861 26731.4405 19773.6771 20966.7618 23225.8092 23884.3214 70302.2960 26197.5636 24263.5524 23571.5142 20233.1710 24926.0483 21423.6127 27901.7000 13827.9294 17606.2620 16145.8527 20529.3382 25944.4213 24074.0080 23489.8897 24553.2374 19744.6599 11145.2279 21276.9549 21276.1234 19652.8729 21115.2347 22078.9697 27611.2602 18008.7832 10452.3951 21901.3317 24254.4079 23108.1426 21341.5507 21823.6276 27840.2860 31144.7238 26454.7778 18296.0398 22412.1093 19127.9590 19180.3564 26106.4524 29334.6397 24191.9815 20863.2146 12452.6020 28255.4482 23076.1002 23821.8961 154718.6769 26818.0966 22605.2252 22482.4263 18365.9648 22387.6424 21311.6158 27996.5138 11885.6690 21927.5621 17552.0328 23799.0660 22165.5030 20940.1804 21407.8548 21379.5114 21533.4570 17693.5253 14419.3847 26220.2555 28540.9187 22879.0829 22806.3333 21368.4260 28091.3943 42050.9182 25786.9280 18725.5102 25722.2524 12937.5447 24386.3444 23700.9179 77860.5636 26867.3638 22161.8027 25734.1276 18493.0915 21590.9558 24830.3226 28164.8440 14014.8047 15606.8686 15170.2917 19738.5271 26844.5448 25702.0534 22630.2910 23240.3816 19128.1965 10753.7189 23503.9219 22619.0813 19700.1315 25741.4641 17691.7414 28423.6256 17102.4728 9435.5017 20532.0036 24139.6664 29848.2302 22075.8566 19386.8298 27763.6701 27821.4526 27106.9695 19037.2858 23442.4099 17067.8477 29247.8245 27845.3164 21580.4914 16597.8764 25937.2922 23825.5520 13640.7765 1801056.0700 26502.8323 21878.9876 18556.5874 23833.6352 21073.8656 24091.8605 24566.0448 25948.6823 27992.5263 23486.1114 73299.2316 23574.0594 17911.6525 19572.1811 25638.1821 22310.4962 15077.7490 307560.2293 16765.9907 23970.2834 26066.0640 20013.5991 25272.8318 24424.0721 10822.8146 24929.9438 32611.4709 17034.5645 17291.4473 22088.6493 20843.1220 26028.8357 23452.3671 26327.8478 24725.8350 110665.8100 19698.7808 29085.2669 27824.3426 16542.9922 25710.9912 23629.9112 25736.0240 17442.9651 31151.5596 27478.7827 20571.5843 16757.3097 35211.8196 23777.8919 23913.8878 671808.9261 24442.6975 75429.7458 17390.5566 21661.1590 14288.1011 315968.9651 22297.9619 23549.2405 25925.4255 19366.6925 26898.8226 24134.1427 26618.0087 20701.0065 17000.9574 22594.0105 23077.0717 9157.3240 450616.4655 29267.9079 19969.9846 21634.7894 22880.9315 29440.6352 23175.9753 23607.8414 23904.8875 24139.3178 74354.7313 22233.6382 126598.3736 19231.3824 20012.3290 28828.5737 22901.9903 10315.6036 294735.0840 17183.5504 23876.1962 21129.7805 25645.2745 26933.5056 24747.4830 13896.4321 25931.7480 26105.6824 18638.9958 Phenylalanine 7525913.6212 13147637.4085 8852993.7591 12152930.5629 9511188.9758 9676190.7576 12749182.7367 16372608.8952 10799628.7811 13982722.1042 11338789.7443 11219679.4555 14296416.7550 15966914.6919 12770939.6153 11810014.4873 20106464.3207 11219735.2585 21807436.6355 22553675.7006 9335238.8986 12717057.1781 22115872.7757 6296223.6462 9889075.0961 17235441.9924 8656538.9501 9672401.6052 9860985.0761 4789690.1488 6748171.9156 10227470.4896 11559041.8657 9955662.8823 11356589.2883 13929238.8646 9653551.4553 6123646.3911 17327599.4410 19546843.9349 12615747.6438 9280318.8703 10192979.5084 11480079.4563 12258801.3040 12182400.7810 11426914.3911 13897862.1302 11509697.1771 12474182.8411 12565775.5745 10291552.0381 8825087.0848 17927472.8192 10998619.2614 10249816.2964 11361433.7895 20695339.7955 13620036.7593 16291194.6312 12630680.8278 16478359.2155 8476573.9424 10792688.5299 10545236.8381 15791789.4911 17093054.3588 8149590.8370 9987794.9746 12757881.0904 7994857.6180 9615681.9108 14418085.8761 9347696.2986 9477840.6972 12787016.8923 5475833.5651 8445101.8320 8790830.5030 9800936.3776 11085928.4175 10357064.6317 9565564.6167 11036998.1926 12792049.6770 6726539.6139 12210044.2878 5989540.2130 11217756.8989 7837586.7989 7028653.1237 7750002.4220 10240504.5773 16227024.1702 8295340.0283 7324933.6266 13934054.0386 13064071.8656 7811438.3854 13084350.8662 7594353.5597 12542749.8480 6864941.4625 7043765.8524 5722502.8331 5687721.9668 8197997.3793 12974241.3266 9494925.3141 8876224.7974 8743156.1966 12046406.7554 7770383.5265 8076218.1324 8518317.8309 12145948.5754 15990738.4304 12162522.2081 10191483.6357 9956699.4985 13387761.4789 21167843.0232 13009681.0147 12913353.5934 8918715.0289 29644573.1476 10028889.4777 17816170.0489 15244882.9652 28046867.3570 33565758.2675 9134941.4646 15265079.5920 9958928.1105 17890253.1137 18598794.5427 12821812.6960 13844362.5313 13180616.6455 9173207.3539 19352856.5372 10838499.4374 11397178.6387 16056960.5732 9305067.7237 13347174.1365 25342652.8362 13685991.8155 9929075.7816 7327210.3102 9708710.8059 13830074.2512 32357358.7933 14073855.7139 11229468.8186 18281997.1784 12604375.8863 13570438.4349 6584770.5134 11469706.0770 18214780.9316 13380346.4493 11757390.9253 6702065.8293 32296577.1825 6666438.7387 7338420.9390 10005863.8559 30116894.6819 18501207.4671 8340611.5951 8567046.1018 7057920.4911 9707416.6736 18356935.2060 9477169.5197 14587828.9975 11978479.9551 12873984.9828 14991545.9287 11493424.7455 9567207.7441 26267678.7367 12104918.8274 11647667.3626 9322141.0973 8945179.3680 10689292.3475 12242826.4752 7765848.9541 12428738.7775 13578582.7900 5097166.7223 12800682.8673 9459475.9915 7764946.7585 10921121.9682 7952120.4139 12321529.0303 15435397.5429 8446820.9488 10359117.6470 12899933.2588 12879136.1193 9356000.6678 21406312.0422 10831314.7916 10082315.5823 8872021.8697 6959904.8806 11780364.5195 8389453.7869 9377603.4167 14860756.5797 8902117.0287 13227456.9582 10766565.6749 10728489.8435 10762664.9598 15153916.3544 5878549.7333 14974582.5324 8679961.2059 11885698.7178 12265164.4219 5840969.5372 10964536.9603 9737031.0304 6959285.8580 9457062.9739 14182577.7612 13195003.7317 11268538.7602 13942110.2388 10244069.8356 12246883.7240 11065765.0168 13915817.7636 12270522.2856 14553913.1327 13222626.7611 19087357.3674 17103122.5105 13553907.3671 14390605.3472 14362960.0446 11063662.8066 11890517.4316 14042322.1792 10469108.1440 9811633.5669 9747622.7529 15101503.3181 12570923.0055 19888949.2077 14255364.1824 13986482.1837 17501002.9638 11892283.8701 8557190.3058 14606234.1709 13426031.6196 11459384.4677 16671601.0479 11456799.4857 11517161.3325 12627208.6466 14086794.2747 10541760.3354 9935837.5893 11297818.9933 7824875.5826 10077109.8594 13203041.2145 12134836.6448 13703269.4602 22531623.8958 14013658.4728 13516853.8325 14223113.0234 8228067.4793 14466550.6500 10680853.1006 9616810.7059 13260941.3913 15965792.3120 11008327.4633 13523787.8734 17731627.9812 11301454.9518 13704630.8929 7744309.1101 19479476.4150 14369582.2059 16796724.6764 18056765.5894 11033513.1276 12488851.7352 6471212.1964 13093948.3309 15159805.1938 13137228.7434 17009667.9684 16013997.5339 10801337.6999 17698574.9020 10029401.8905 13629872.7710 12417319.9016 11140118.3233 8572833.6690 6024725.9115 8405098.9377 5313108.0042 6934358.1600 8912961.1636 15651067.1420 9471535.9663 11685703.9542 12605722.1786 10585968.7698 7572441.7754 10134294.3280 9357673.4619 7041994.3685 9592013.0693 7682842.0120 12060751.5324 9719947.3387 12855921.2230 21253766.6558 9168970.2569 7590407.2777 11117124.7081 21543775.1034 11050237.5268 11052300.6125 5823326.4778 10803550.5011 9607020.1774 11866756.0199 11001955.8836 12855466.0637 6832077.3606 8649262.4448 11712412.1529 10530733.5809 6728772.1265 16172439.1099 10098678.6030 14565301.0543 9964951.0634 11404861.4968 13387100.0532 13411057.0720 16518920.2908 11287261.7780 11872652.9075 5659863.6451 9864822.2064 6856750.1345 12890839.1408 12967185.5564 12376593.6228 40336482.2206 11259223.3267 11371809.4569 9173897.2726 20089392.4725 9838442.9328 9958384.0067 11066139.8337 10149260.6302 11229999.9790 10802321.9403 14967379.5809 13305998.9790 16251181.7302 16102271.5517 14111733.1042 11721635.4229 10837108.6668 12539344.4732 12069329.0046 4382195.7470 11182751.7411 6244107.6676 14028198.7984 11888322.8352 36913851.3872 13614718.1642 13174704.3487 11346323.5316 9818091.6342 17859601.6167 11181971.4389 12738533.8653 11895561.1775 14651873.2074 12828982.6179 13437969.3486 10563688.9416 8275193.3733 15113115.8414 14643554.2358 11735989.4974 9686790.6459 6849590.5022 16299485.8586 15086868.4934 14415925.0663 10640592.0002 14272068.1169 13037146.6145 11643448.1581 15739599.9910 11470167.1374 10920938.8699 9784371.5173 9082068.5299 11699861.9184 11800883.2190 8386635.4808 10448233.1753 8666617.4388 7880519.9762 11507100.1238 10157165.9652 8581307.9296 9042545.6108 7731667.5333 9285060.1943 12672238.4308 10972236.1931 11660315.8723 9494239.4452 9452797.8208 7321977.6352 11229288.8019 10100154.2084 7544963.6262 12088084.4459 9865792.6116 19389740.3463 9388218.1503 12274642.1776 11674189.4017 13337615.1225 14302257.8722 17584603.6432 10031696.2200 12468389.9820 5909051.3491 8153601.7643 11362309.2271 Pyruvic acid 2202884.7189 4992800.2814 1734313.1688 2168046.0763 4602685.5723 2531674.8375 331019.9417 4399911.5093 1732812.7265 7595378.4968 2619873.9303 4687277.7532 3359986.7904 4167026.4854 4925358.7897 2732000.1084 3530487.2083 2432615.3911 5149366.2610 2778472.5800 44867.6118 2711707.9817 309892.5630 1734547.1535 2504957.9961 4263180.0644 2947800.8709 902706.5302 2801182.5639 2724391.1211 2165917.1840 2052355.3217 4863727.9804 3016016.2583 3380221.8584 4887403.0013 4747233.1429 2452642.0006 5287340.1589 5844352.1850 6181875.8650 2757426.5968 6555307.1871 4807299.5598 1669763.0301 8065236.2310 1593527.9604 8351390.3413 2357838.1472 2460192.6175 5798740.2033 3189208.0567 1090320.3160 5435433.0095 3861805.3789 826694.8755 4992833.6113 5028659.7314 4766217.2484 2529450.6177 3469292.2672 871698.7867 3203003.4742 2175072.7797 540453.5656 4426154.8363 3036246.9953 1383041.8847 5691959.3009 3486537.2570 3955917.3008 2717178.9418 4470715.2750 5354021.6993 2083847.8044 4644911.7019 1745079.4129 3364868.4378 6273192.4806 1348315.6790 1447044.5485 3659737.7768 211887.0477 3976862.4749 444800.7855 6926025.3499 1431100.2785 3611469.1759 2953153.6481 1296333.9892 2229244.2005 2765963.5110 2353350.6563 5281696.6684 4255364.8598 1855649.5690 202277.8616 3699691.0712 372627.3791 4299234.6469 1865162.9226 2688837.6357 2406305.8419 738507.5640 1190068.0310 3505018.3132 2136828.2911 4721965.2136 3902779.5856 2740361.7206 2117437.3213 3393431.9204 3283268.0563 1898989.7125 4720020.3879 2482020.2122 10921357.8047 436755.4579 780574.2982 2876128.0986 4564402.1843 3355907.9617 3634371.8194 5415906.5834 3004660.3028 3725445.0119 5522869.4025 4103845.2767 5279945.5793 5798198.6320 9445877.3856 3800540.9005 5793383.4289 3579424.8070 2086742.7995 2328617.5161 8830012.0632 3994112.7272 601343.2108 4024347.1634 6169919.8162 4254831.0739 3534765.3652 4539700.7284 1549914.7384 6296204.6990 5423369.7454 9481063.5586 3801474.5178 3260009.0521 1757046.2943 653564.1403 309762.1968 20517397.6689 3089392.2943 4955133.7197 671363.5895 3046917.1364 2501362.0302 5731022.8563 4481645.5219 4708580.3096 10364797.5766 6241975.3697 24665699.9641 4637414.6150 5374252.7100 6584076.5659 7876073.7301 10403229.0040 4564415.7004 3332409.2384 1955644.5636 2602354.7638 3784851.3781 8716361.7525 4099421.3910 997137.9605 5388266.6164 3689820.6376 3628233.2534 3722469.4256 3113538.8542 6215042.4651 4855043.6317 3532039.9070 4368474.8160 5491698.8503 7503356.3469 2338022.8218 596146.1807 411447.3607 2226466.9553 1191870.1023 695231.7995 540163.7582 2347226.1726 1566968.6474 7924453.0963 3224964.8720 2391613.8612 11485250.9187 7263733.2324 3072954.8085 3331833.2391 5467327.5471 3343917.0438 9059937.6496 3060505.0431 1759219.4202 3311042.2715 2586874.6501 3219350.7823 1993.8922 7757187.0152 5749565.2651 437.7586 1468335.0167 2805093.6827 7035335.8805 3870763.4379 4620292.9439 3433536.3058 6713521.9542 4237240.3998 7273151.9139 4008435.9617 3642849.0358 979711.7964 482982.0210 973.0736 3779256.5683 3297201.9433 533290.2367 2524171.4180 1008125.2895 2849041.0443 4184214.2967 4027862.3577 5043013.5934 1933906.5706 5239984.9028 5110202.5228 3295107.0442 3919014.9630 6233597.9072 2561387.4633 3508343.8254 4774102.4663 5388602.1578 4757298.3194 3893827.2843 1008313.3367 5452142.5104 658565.6962 3016681.5922 6780564.7408 3403772.3872 5537502.3814 4237188.7101 14238516.7332 2000719.5859 4665809.1187 2000518.2038 3349675.4713 750126.6288 2060422.9319 3506280.9732 3966346.5666 2692517.2910 5112093.8320 7057009.8756 7348533.2495 3862371.4315 5503902.4748 11573197.6891 10887796.3418 4937934.5911 3087817.8628 332835.2260 2942649.9480 2376541.7790 2877801.8920 6281677.4850 8893018.7204 4744450.4216 5256631.8522 3847485.9139 11541456.7971 6181453.2485 4033797.7972 3669436.6157 980515.0036 4869108.5449 1639990.8627 9746951.1357 3969253.2521 4522115.1919 1460390.7000 4044045.9938 342835.2721 4959084.7224 4783206.0839 3957286.3508 4498397.2013 5245411.0743 7692195.5935 7508077.2889 15466272.0241 5492955.8718 5707342.1323 547884.0752 2508560.5260 460630.6447 2537981.3652 3329013.3043 3448857.7823 3974901.9397 5215033.2289 7223215.0475 5067913.5797 3232282.0289 3254255.4192 5731919.5890 7018157.8212 4714412.8735 2609322.1723 3162743.5776 5803463.0692 5583646.6891 79243.3946 1805077.0424 474762.2628 3752109.9217 5179360.1518 2286056.3939 2192304.0331 14393.5227 3875315.0660 891355.9114 1255608.8509 3904252.1910 3150632.3342 163.4926 9421677.3131 4295302.1093 3384277.5733 9953703.1308 2710487.2484 840754.7915 5547218.3752 2362080.7295 3997658.1999 5753471.9897 2430036.6487 6398753.0436 2202519.0403 2405759.7259 3105900.6287 6574575.6431 1854997.4621 3169347.6620 3645558.3773 2461509.0694 15342516.0192 7673800.9489 5925908.6981 3395026.6841 2624755.2712 2685549.3818 4043074.1217 3212911.9904 283350.6721 1981.1643 3734722.9409 5654474.3424 12376720.2601 4058528.6104 3372726.4659 3296300.2689 2749358.0399 9221396.6663 4115228.9838 3174567.3415 5198355.2035 4902638.7016 1941306.5733 3789143.4326 6207642.6915 12725369.3434 5686913.3156 7654004.4093 6596219.7965 4327457.6236 6733311.2326 7303016.8466 8063735.3121 4695318.5487 6812475.7265 4129121.6064 4876187.6829 400646.4092 2566593.2692 3903358.4665 6663558.9824 6955488.4848 3123152.9172 9180741.2423 2328154.4100 3105879.2224 3313317.6756 4483664.4065 1076091.3695 660495.5659 3745205.5717 2796593.9130 3754651.8662 5109129.5213 8754728.6276 4649205.8092 3988.5633 3170539.6352 3622019.3187 2344413.4634 6596862.0757 948802.9006 3402682.4616 1643667.3787 2471655.1603 2201976.7379 3608859.3444 3353916.0560 4069560.1422 2367925.2073 908221.3900 3618384.7259 9464149.7720 2047903.7872 3850718.8689 3850115.0883 1014698.3023 4044241.6008 5888718.0167 308098.7626 3960.5968 4215060.5477 5484223.1650 2737185.9239 5406767.7429 4024589.5896 2637223.0798 5441394.6442 2236994.9225 3850644.2768 3138022.8647 Quinic acid 97139.8372 136986.5482 115604.4343 290026.3342 138359.4279 124535.5664 50723.6419 160392.5561 140639.5178 162820.7834 50325.7546 111818.4449 130601.5819 154655.7132 87521.8996 182517.1094 174786.1978 142406.5544 14331.2225 150125.2029 157318.6409 146273.7718 134606.6313 139186.8095 278152.9862 206910.2859 193533.0910 126846.0741 103212.0438 151497.8351 65786.4649 188462.0159 187859.1585 153369.1941 45270.5087 81326.9551 150753.5804 337577.2819 131182.0334 241243.0208 171923.0080 95534.2200 139620.6145 117210.0515 142763.4409 162804.4019 56296.0409 161163.6742 124689.2315 158850.3200 57653.4450 111590.3915 158045.4147 101657.8325 201053.8764 166725.3314 234438.5183 10436.5114 150928.0115 191206.6357 145983.5460 137955.1032 139572.3685 289469.3897 32171.7085 127548.9956 150917.3836 66633.1114 74661.1972 115790.7302 144866.5465 46490.9369 76553.5574 157437.4548 205962.5812 124822.1239 96337.0286 138948.6607 116407.2429 246097.2589 280930.0301 125628.5461 91062.9523 160778.1151 218501.4997 169383.6813 109741.5627 147781.3019 130891.8077 301139.9533 371277.8693 1050522.6333 340000.0607 1703410.2674 79326.3206 149322.3943 453187.9397 148789.3905 160897.8438 142909.2553 172084.4737 422169.8690 223357.4269 67007.8621 242819.4970 156335.8110 99972.4048 135773.3015 198050.2157 161173.5963 44276.0827 94576.8340 275497.6141 355947.2731 140729.0456 88121.3541 144881.1772 93673.5264 37293.0063 118366.6219 133794.0651 53788.1743 142434.3584 166354.6764 106848.6652 88308.9429 123632.5200 132156.3978 100930.1395 135825.6452 225965.4883 137857.2254 45760.0886 104084.8670 162320.3512 415797.3631 134174.5421 164557.9932 170453.9629 209900.0509 142096.5677 159520.8116 159624.1557 142524.5367 129952.6847 121555.7226 303000.8777 286667.5021 113356.5559 132475.2408 83186.5825 102319.4708 172424.8020 144066.1081 97204.9759 148216.7576 94959.7210 48758.6796 118752.1810 134084.2908 55393.7914 183936.5976 204363.7726 116386.6788 87506.1343 185142.6178 203209.3209 1252402.5742 136115.8710 245520.6833 137566.9996 48310.8604 104486.4969 161934.7922 473814.2953 134114.8434 163977.5418 166919.9167 394181.8624 190483.2109 231240.5642 165248.9088 143729.3684 133702.5247 113998.8172 417459.7926 167750.4764 290976.2453 151246.0078 82149.4007 109254.2733 166094.7603 183561.1828 182157.4063 136667.0431 321202.5591 172646.0466 119842.9952 205867.4668 54590.9829 362901.1494 304861.2219 380135.5807 105274.1164 285347.0945 133493.0734 44036.8306 174939.9449 591086.0661 138147.4511 444516.2005 110980.0703 213675.8252 1041959.2479 138504.7750 164267.7675 163772.9486 1287106.7963 617449.2447 543149.4532 221752.0501 227832.0896 165080.3711 427211.6096 883714.6575 169361.4511 215421.0903 385400.3802 79478.0486 124000.2791 290362.5333 168030.8055 146111.1600 76839.9003 145046.0188 136477.4572 162236.1873 120035.0163 170562.3044 157592.5755 156151.4068 99564.5148 175924.5235 50576.9400 123276.3023 142656.8408 139688.6915 166654.7159 485383.0397 109438.8226 102567.8006 142210.6114 110778.3641 132782.6934 103576.6850 871165.7790 152243.2179 107219.7910 44460.5368 132193.4624 139368.6237 123184.1622 112433.5458 114136.5980 154357.9698 151658.6791 147669.1081 117950.7146 155270.7696 148444.5510 149232.3317 143427.9588 138083.0743 190356.8777 157896.2146 56986.9868 180695.2924 165138.4447 158134.0301 91311.6532 146277.4551 135674.6486 161945.9616 98782.9780 178455.6787 157302.3498 156922.5248 61483.9526 123885.0270 52182.5572 179961.3111 141920.3857 108399.4574 114900.4482 110665.0252 262921.7493 106690.8527 83691.2816 162393.4866 134512.3631 124416.8101 109547.1275 123250.4099 152681.3755 224593.2831 147283.5491 252099.9715 157474.9214 403188.2955 184819.7590 759359.3035 304008.8991 189590.2841 348550.0169 162526.4131 172416.4814 277321.2415 498553.0408 157744.1017 1160444.6827 412859.9017 53451.2884 289274.4723 155108.2198 159741.7664 239512.5864 348993.0602 115498.4796 65357.7523 141630.1600 200075.0756 111730.2741 202458.1505 552035.3230 201126.1719 170148.7606 590433.8115 302773.3469 195519.1446 368091.2487 143534.5794 136505.2458 159738.7113 300537.6930 147821.8722 192341.3841 154980.5439 809228.8658 149756.4806 152743.1809 135911.9485 91365.6823 185515.2420 207660.3254 19745.2026 155928.5059 168330.9278 251294.7667 142791.0629 136768.2412 139669.7192 149176.0292 153819.6410 144242.1916 142700.9127 158153.2886 136102.3373 131472.2592 62619.0686 128036.0271 147434.6747 161655.7359 112384.9482 209730.0486 66868.0278 174063.4381 141065.6800 277354.7550 154987.2434 134560.1012 51779.4159 828310.4410 148305.3519 136345.5036 151355.4899 193302.6866 171119.2403 175279.7903 166709.8308 161970.4173 157350.4800 136487.8963 267055.4548 147144.4490 161365.5101 86486.7314 231479.5722 141646.7727 154096.5067 99003.6674 150046.7064 174442.9125 132633.1621 91295.5540 202130.0573 166299.3477 32785.5836 194984.3606 143661.7401 131762.4849 61816.2600 132542.8647 65178.1992 232730.8924 98143.2561 151788.0608 135331.2192 48669.1191 414250.0686 259700.0114 287849.9657 139676.2437 99798.6002 283200.6438 228193.0391 92894.0161 282417.6908 168040.7021 227448.9157 268579.8772 438462.1097 149466.2549 218751.5595 254125.2084 209755.8945 169303.4634 136873.4553 659302.6176 156497.4021 103923.2761 1182556.7827 149702.0351 186003.9071 52122.6313 295460.2412 60210.6429 299213.2703 145675.6522 1288796.7380 164651.3063 171939.5065 132900.0192 374320.5551 254379.7930 200394.1190 Ribulose-5-phosphate 198204.8025 14247.0201 1708.3293 28198.0951 11615.5382 17105.4982 1466.9314 14087.6498 45941.9163 13986.0562 24668.9241 2865.2265 103762.9870 15276.5676 9535.7365 17023.9817 138932.3862 10125.4983 373.7642 3620.6237 108958.7780 15212.9198 183120.7547 12225.1000 77334.3590 8398.4066 13674.6318 461.5977 26597.9489 15756.2384 2486.9111 3213.5175 75.6841 14035.7296 1828.6842 1906.5268 13241.0363 201638.5769 63846.8825 8432.2712 12123.5063 132853.4829 14277.2045 2952.4417 13401.8579 11581.6737 14355.8263 14155.3789 60668.2327 13952.1917 10277.6298 2402.4490 25908.4017 7721.1158 16963.6130 83001.8344 10057.7692 1249.6592 1727.3727 3312.3172 15182.7354 200154.1098 12258.9645 89619.1024 3106.4281 22524.1365 15695.8696 85516.4849 5273.9383 3320.7049 27975.9039 2715.8410 2621.8290 14506.1290 32706.3345 18846.7924 11660.0019 14216.8358 3105.3254 13371.6736 11649.4027 11980.4932 14314.5319 14121.5144 22031.8209 14019.9207 3701.0908 1028.3026 13613.1485 13545.8171 7754.9803 16993.7973 13037.8490 11653.9170 3066.5683 1720.4998 2792.5327 15152.5511 11073.7055 12191.2354 16269.3726 9229.1014 12055.7773 1463.2630 13353.3353 15726.0540 1317.6292 2303.9919 3533.9340 14065.9139 1328.4285 2179.9499 13308.7653 10599.6019 15427.8689 134541.0137 350974.8126 16588.8030 827.6516 27414.6421 45342.2066 150511.4806 1525.5372 13613.5462 1144.0688 1105.2259 3633.7100 11547.8091 3469.0734 14126.2827 18186.2697 14337.5732 1595.3803 9109.5620 14256.9725 163450.1766 17198.0900 17114.5348 1333281.7145 303458.3222 11257.8662 24594.2860 16601.4006 16499.7999 12553.0647 495.3804 3825.7456 19479.5346 52617.2515 17922.3196 3361.8304 29048.1931 64654.2888 14600.1996 38594.8566 214566.6518 19482.3376 1602.7172 20091.7818 168517.9619 233678.7520 3053.7497 15052.4558 1474.8718 725.3774 821.3362 13206.1691 653.0894 14156.4670 20043.7946 14307.3889 3024.0756 10202.0018 14223.1080 155975.7400 17605.1003 17054.1661 156583.3853 420638.9941 9515.9365 67253.0601 16571.2162 14699.7856 11412.3509 2351.9960 3201.5935 20304.2175 16698.6633 13522.5954 146363.2896 21756.6053 73225.6870 12326.6936 2265.1891 16511.6202 10399.3076 11048.7340 13950.5248 13884.8078 3387.3171 1568.6020 13647.4108 1422.4427 3433.1207 1960.0132 11480.0800 277.6257 16088.3648 12161.4026 14367.7576 1923.4439 10575.0974 14189.2435 33784.0164 13030.3455 17084.3504 800.6017 11276.8928 10284.4811 25345.1198 16541.0319 14669.6012 16611.1482 244.4583 1951.6061 17416.3784 10035.2846 21505.1447 44110.8202 7788.8449 10159.3629 17205.0879 1964.2424 2467.9972 12665.3390 101712.4066 47063.9760 23082.3279 23204.6507 16390.1100 13715.1399 98.0447 2971.4360 795.8841 11237.7504 12529.8809 1017.8725 16691.9537 15967.5289 10123.5956 2818.2013 14790.3387 293.1111 112691.4399 88612.5116 280512.0671 13173.3072 37449.1337 57298.8023 145927.2404 12438.1489 42503.4451 93044.2897 10674.7416 13444.2235 488724.4783 12970.1199 8974.1039 16148.6351 10632.4214 10197.0934 12597.6099 48.7900 16661.7693 10043.0418 1771.8998 13207.1717 17174.9035 2729.2070 3044.6125 12733.0681 81891.3816 42676.9851 18119.6399 16666.4397 16359.9257 13782.8689 2469.9382 1549.2248 3100.9515 44605.5209 14760.1543 2043.8823 39846.8867 73685.3293 57702.5950 26258.2557 45069.6902 125803.6387 21403.4487 2678.7382 1200.2674 9380.4784 13410.3590 81427.5490 12936.2554 17316.3893 16178.8195 30902.9777 17235.2722 3814.0052 849.5317 12699.2036 660.3099 16903.2442 8161.3548 17152.6078 16329.7413 13749.0044 2616.5892 1249.0922 1335.7544 10185.3287 12563.7454 2448.3367 18772.0042 19491.0355 8906.3748 2673.6797 14729.9700 212642.6295 11108.0684 872.2759 3829.2837 13139.4426 8262.9485 1625.5021 9922.3111 16294.0869 12672.4069 2309.6883 9346.6138 13376.4944 529.9762 12902.3908 10463.0229 16118.4507 657.9026 15575.1322 48390.9835 13854.6234 7958.1676 15092.1823 17265.4566 3587.4607 42297.9895 164196.9173 13135.5807 14850.7074 14749.0179 2344.5072 15514.7635 34188.0876 15001.6293 71143.5646 2953.0078 13925.2240 17337.6626 1168.4958 9820.7174 15333.6573 16812.6911 97366.2194 452626.7838 1131.5998 16420.2944 14458.3107 1108.3977 17961.4318 11818.7255 3699.5578 14285.1768 15424.2104 933.0760 14911.0762 11795.4868 1589.4100 15484.5791 22040.7221 36498.9041 2671.3284 13025.1244 12755.9837 17844.9151 16782.5068 2689.3204 16480.6631 14488.4951 15394.0260 1410.5557 15605.3165 30668.9393 13794.2547 7924.3030 15061.9980 17295.6410 918.9080 23517.0189 21375.1625 13703.7016 857.0014 9888.4465 149125.2584 57797.6050 2411.5147 15786.4227 14962.4654 14522.4441 13999.1631 15635.5009 12834.6617 16995.6024 7992.0321 15122.3667 17325.8253 1951.9476 1809.5765 22195.3638 12440.5475 14880.8918 1142.8870 15544.9478 19961.2459 14971.4449 3450.5843 808.4818 15538.5193 12948.5754 17066.3436 1778.7087 10558.4045 15273.2885 16752.3224 126855.2360 1916.9820 1173.6090 16450.4788 14428.1263 3616.6800 15846.7915 11852.5900 21005.1610 12462.1518 15363.8416 2583.1881 Saccharine 3146.9512 2676.7326 1785.4150 3303.0805 714.6562 454113.9559 3207.9395 585322.2294 411219.3008 348911.5335 1393.1772 2639.5400 533.9539 561402.8114 317323.1484 1590.2201 196624.6176 417148.9221 1647.9020 814.1494 2316.3062 2094.6134 457282.9917 427536.6441 2529.8778 348425.7273 502307.7786 873.6710 359737.1177 5310194.3046 3046.3009 8909716.3404 3690.2953 3499.3093 1596.2617 3711.0161 181.0044 2479.6584 1109.8784 350349.1229 449919.8674 18.6717 6615209.1860 3703.7472 572.1382 481202.4098 2254.7931 588136.2786 425788.4151 579694.1311 387.7605 500.0549 559995.7868 318379.5595 2936.5190 985.2120 411527.8980 3371.7764 3127.5090 1401.1973 2401.6443 457615.0762 509342.9016 232.9571 877.3983 354522.8849 5197156.7741 2781.7406 778.5980 1561.7145 3847.8688 1244.8195 3013.1825 551553.6393 436015.0706 451039.7298 2727.9186 2689.9457 2052043.4819 1610.3167 471012.9793 435754.6359 517.9778 586729.2540 209089.7798 582508.1802 78.2772 967.4865 3084.8188 538239.7965 315290.5348 552889.7016 530554.5768 408747.4615 3270.3120 3224.4115 3601.5518 147.1104 446421.1521 506528.8524 940.1659 351756.1475 16936.2407 44.5804 349064.8227 1419.4672 3897.7767 3464.4415 1301.4309 1875.6015 170855.6109 787.0720 531174.1385 425356.3599 513563.9753 2629.1809 428892.9796 330464.3448 1047451.0755 3426.8963 2907.0337 3336.0544 2128.9868 565623.8852 734489.0811 4108907.1526 179.8495 479795.3852 1504.1168 120.1703 349123.9467 2241.6785 3663.6939 378067.1352 555226.8168 52878.5745 489644.5573 2315545.5615 2100.5258 340839.3342 341319.5614 340.8573 2802.0064 3657.5213 462281.2488 48.8880 2403.3735 12185331.6535 353809.8154 1724.6594 147459.5333 323889.7223 394934.1937 510749.9261 2825.6925 426610.1498 333038.3449 416.3931 405758.9294 2150.7570 3479.2622 2803.7288 554477.5592 2580.2138 2050.0711 597386.1954 466329.5684 3989.7398 3490.4915 352516.9882 5014178.5843 943.6953 380755.6460 1367.9064 3362.9518 486830.5081 1082.9912 3586.8135 388711.0619 383265.0009 551210.4828 2207.9884 1852.2971 391077.1296 856.1967 2447.8327 2902.6245 308743.1847 3536.4895 203.8375 300391.2456 422048.2669 463036.9840 2923.9589 424172.6329 320209.3375 402.2529 38012.5019 269.1084 3638.9403 5904096.3858 567030.9097 511431.6760 211662.7026 1628896.4495 476981.3360 815.4691 3640.5019 354570.1967 4868341.1653 686.2691 365373.8041 589543.3032 3580.3567 354617.8583 3767.0931 1831.4950 468539.1885 346282.3483 367818.1555 829669.1195 3508.9417 33681.9610 2514.4008 438.6202 530455.7704 351304.8124 1879.9614 38164.7193 173311.2398 413062.2023 21.5711 2719.8244 68.0942 359964.3391 2175.5416 165800.1214 233054.8488 1464941.6487 3015.9407 260.0319 884.2025 1202026.9580 2019.8062 382014.6157 520599.0983 1751.9996 3106068.1627 2710.2704 369707.3414 3587.4072 508.3598 2108.4114 400652.5435 2542.7603 3069.4408 547332.5655 343571.1134 2589.5498 153106.8611 460899.4759 1498.4380 2462.3473 79263.3114 533572.8188 1371.4150 538890.4179 235866.6177 236.8325 440.8158 385302.6591 523413.1475 3300.7860 356.5183 368344.8152 988.6549 548739.5901 2029.2655 31.2095 3922.1738 374467.8026 1630.3724 3074.1664 340049.6764 3025.6542 2998.3993 124682.7540 1565.4814 2529.5093 2973.0632 2696.2504 2293.6898 3515.2120 397935.4207 959.6648 412.6250 340521.5360 1455.0622 414091.8432 459652.7292 3818.0308 654.5422 389745.8114 557181.7376 987.9835 526233.3627 256052.4977 620.1342 2890.4773 2702.6783 1639462.4498 3203.6497 3563.8081 3284.9270 3656.1013 2198.1180 2675689.7999 2895.5318 1557.9032 149960.2159 229041.3013 827.5871 382024.1372 522006.1229 159350.2032 2701.0500 328.4168 366837.5480 62495.2036 15538220.9100 3289.4360 399594.9835 206148.8100 2656.1458 523015.5049 337842.8316 336263.8933 385352.8213 434913.1232 241974.8651 3534.7914 252748.0902 417829.8528 816.7558 2143.1138 1085.8300 1562.9972 243.6285 3201.3159 462917.8254 3134558.6401 106724.2810 3460664.4454 2131.2268 21330.5163 9715843.7587 2180.9570 144758.6803 2332.6971 1662.4204 191.6811 987.6448 1521.9321 401.8434 1182.4672 756211.3902 1715.2497 2597625.3150 1609508.6246 261799.3407 14501865.6624 330655.0920 146.4525 3256.9198 1905.6904 165685.1725 1467693.0016 50241.0122 3996.5499 491051.5819 3514.7536 217729.3020 3087.6082 2216.0950 3320.3974 445212.6013 881.1502 2979.6821 3950.5262 3965.7678 2889.4304 461126.2161 14.2557 2922.8678 368.7065 3451.9034 2097066.5346 3740.0065 802.0991 1256.1216 2217.1916 502890.9224 1494.9301 298921.1971 1135038.9617 2891.8529 14899.6572 3651.0064 45.4322 2019889.9931 1200.2181 405945.7312 385.8029 3096.6560 2376.7462 3442.5902 493865.6311 3662.9613 83.9438 96475.6885 248217.1661 1079.2245 41560.7458 1628.1682 6241054.6651 529924.1931 1948.2735 1022309.5913 404530.0662 516.7416 872.1602 1371729.6966 2125845.7817 2798.1411 98.5952 3926.7339 499493.7294 450247.8688 841094.5786 780358.7003 163865.5496 3184.1951 2192669.0992 474446.6019 87.9152 1184828.8009 2273154.6008 2498.5081 1628724.4403 1681.1609 641.6163 2365.5872 909.6186 2237.1393 2239.7210 Sarcosine 119887.9325 234944.3179 82522.5847 262294.3808 210420.0450 191846.8652 132022.8623 325541.2487 269971.6155 282983.5909 198793.4392 267165.6164 271790.2610 299399.0699 279164.2768 229066.5816 276561.7294 163274.3137 444576.9965 247614.2528 87185.4884 196873.5250 328231.6644 187456.1634 269980.1136 292811.3199 185758.9159 209000.4801 178172.2278 207061.9328 145622.1040 129667.3735 310579.2321 215292.1714 326090.1204 246120.8886 320928.5226 213535.8646 288742.7873 403058.4464 290558.2106 90550.4494 273839.8089 229263.5195 220016.4797 221175.3209 217647.6757 313124.1195 188324.7205 243306.6995 554132.5176 178747.1778 145130.4325 488552.6939 236318.2174 182679.2450 258099.3926 409224.6878 199776.1926 220063.8597 230390.8631 227302.0502 290590.1681 270620.7347 253021.0097 245987.0214 245390.4493 85461.5954 261194.6152 398800.4890 207597.4644 292218.5712 267283.7870 302856.3576 153784.5268 311699.1429 151298.8134 295049.6841 385523.3440 256621.9924 238997.4326 329417.1745 214234.1550 322576.5056 326535.0343 360160.8291 331705.7051 328310.4677 298575.9652 173190.3143 302667.6971 234456.6977 342754.6024 475827.5795 297348.0708 266247.2354 173262.2526 288405.7988 286377.2842 348723.7306 216306.5830 416699.7487 234748.7782 243599.8141 213149.5781 313608.5085 235328.6094 423489.3153 317663.9098 228611.1455 249447.7798 420074.9098 266945.3887 211847.7760 171867.5052 127402.4038 317326.6968 269755.8400 143923.2005 181400.1911 297015.3065 520519.2011 232867.4875 235149.7084 139858.7829 399945.6492 67684.9745 327484.3045 263588.2814 357304.1645 679475.1712 250195.1490 216842.7233 188426.0930 220510.6428 175556.6966 178795.5094 244187.5341 144353.3977 166140.9733 355281.9671 226469.8329 188578.4108 280204.7977 198620.3865 210099.4140 381738.6772 303893.7891 147170.1727 203627.0202 165526.7579 179775.2688 230461.9889 301621.7866 165423.3478 251867.8369 344428.4116 271926.5934 152285.5171 203972.6398 377966.8173 369793.0856 310085.2841 190165.6485 946117.5020 69227.5233 252809.7935 463589.1262 441636.1095 756802.6037 198583.9318 129803.4315 166912.5931 217845.0122 336934.2145 210456.0887 279167.9450 179706.8651 213111.8322 238321.6325 235279.4733 214218.9274 464309.8438 335128.8347 119842.7903 113740.8881 209388.7253 318668.0084 273357.0895 90889.2061 236977.7258 245679.7792 213640.6423 284580.0459 202584.2371 272213.7709 402651.2604 230798.8567 258888.3778 353230.9440 220074.9120 397079.6942 273223.3073 360225.3921 191074.8732 311297.0014 258032.1961 410209.5073 315378.0111 303624.0404 311996.9642 244321.1182 268634.7816 182097.0091 241030.2756 315264.3442 149896.8847 329926.9948 274947.3464 317109.7059 240395.2077 316124.3767 277814.4136 347409.7381 235350.4873 299993.8748 372684.3581 302908.3651 168251.8345 231059.7220 255855.5728 244991.7394 220175.8434 251971.9499 169807.1322 145229.4062 226319.3040 247748.3141 203276.8500 281337.8498 297362.7346 194056.6527 309225.4396 156398.3115 230101.2478 246461.3001 193669.0895 247971.1738 287123.0830 281128.7184 264756.6687 226838.7967 217104.5368 190875.8361 343463.4644 224277.3598 240055.9258 315191.1762 186455.2381 366798.8656 320543.7792 148606.4949 179615.6196 273589.5503 212661.3522 341452.6528 170801.7575 213479.7407 222908.1514 131326.9389 251999.7342 217843.0640 270978.1570 317157.3788 310725.1404 593693.3216 486747.7150 242779.2734 246693.8043 301890.2360 148063.6955 212925.0441 228876.1733 184386.0615 311906.6940 266552.3692 252490.7461 204892.5663 1552074.3806 142674.6282 290312.1743 207123.3456 266930.3130 282538.0378 425952.5024 530103.9739 249454.1551 273998.6964 260531.5627 227690.2548 209908.4478 405574.8765 366290.3447 270045.7333 156225.8502 274267.6619 289388.6592 312334.2715 403720.0769 334659.4414 308854.9903 243695.7436 200232.1253 119442.9637 218317.5539 299222.1934 333315.3973 289282.2748 373881.0520 389962.1351 380941.1803 232218.3874 219102.2928 305608.8441 655410.4658 299753.0299 257815.7232 325302.7076 535667.9682 341770.6072 304522.4877 221935.3274 158553.2415 292747.9508 568510.4844 302197.7381 323806.6601 207234.2377 318861.1667 235241.0958 325296.2977 325092.2041 304774.0882 129784.9495 348360.4647 366625.4752 271429.6005 251249.8767 268929.4884 181740.6731 234186.8971 146222.8937 232600.3661 269681.4829 245255.9981 162821.4094 225886.2225 149197.0111 175069.2689 191780.9126 70240.1952 284294.6429 228737.6027 231707.5793 875287.5485 235760.1386 208731.2192 191907.2912 376885.8260 216141.1759 212016.4615 218150.9618 175620.3260 160217.3068 80320.6639 255880.0657 314482.8383 195149.1341 246455.5260 222859.5029 181550.0126 246819.5238 258231.8536 253259.1483 224993.6933 267412.7773 53820.0735 338543.1768 260328.0059 1525258.4566 264315.6590 359517.9712 320584.7471 262102.8202 358495.7508 185863.5969 270630.8171 273557.2664 361506.0404 412360.3033 221853.7886 178452.2152 177113.1531 375200.3019 337962.9688 237670.1500 152349.1735 231999.6248 248137.9520 227170.0268 283474.8268 206246.1164 200156.3878 184635.3878 172712.9756 231738.7640 260816.4312 358164.5099 259019.2282 338677.6520 172455.1962 316095.3965 312532.2499 249619.9067 288334.2002 218105.1837 268254.2358 234758.6211 253851.2116 228790.5953 255361.0147 275976.9900 268268.0425 272034.1422 264054.1716 277182.6029 384762.1005 235989.2946 355341.0151 337803.6164 205137.1807 302232.0359 320166.9004 361425.1371 189778.8816 352565.9044 321299.5099 341289.0016 326967.4767 381295.7694 233711.3866 399879.6629 183172.8631 257830.6099 359597.8594 Serine 546833.7444 778560.3181 614533.7036 850924.7729 672744.6091 738504.8369 605881.4889 1040002.4101 1013096.0489 1024178.7263 1084353.9822 913156.6078 1053534.4610 1056731.4525 997412.3997 798187.8182 799815.9862 734705.1314 1192787.3492 1007526.4004 575946.6754 724810.0849 1128910.2094 1114438.4589 841205.6118 985664.4562 389451.2508 1056727.8912 883731.2381 809475.4421 898481.7550 669976.6104 1293345.7465 854223.3770 1182411.8101 544732.5506 1191472.8286 817089.9159 976103.0468 1152660.2075 670949.0040 575757.0615 840634.2800 709164.4576 771724.6306 575735.7623 598621.8648 850332.8647 722733.8365 1036949.8431 1455733.8974 838085.9816 447147.4284 1299041.9609 791301.8299 596054.9254 1008021.2224 1322841.4234 662039.5558 491522.6586 737506.4430 924978.0284 1252562.6641 748892.5420 1088459.6044 613376.3618 863969.6090 601504.6935 552793.7418 1355045.7153 765892.2524 1327986.4647 780734.6384 1122235.0831 701748.1796 896871.8326 998228.0471 889121.0033 626804.6217 938022.4142 1329111.3204 1216820.7322 1083835.2268 971337.8705 1315483.4560 832457.6019 2273414.9077 901809.0245 944179.3853 845861.0309 1168828.5902 862036.8542 923750.6545 1045954.3790 896447.9303 1063214.1416 947380.9405 863089.5940 839086.6307 956461.2402 857010.4746 1115821.7679 713391.4923 1081313.5868 1028694.9423 904396.6046 1099735.9945 924954.7772 935997.1466 920573.9096 1056115.7451 1146777.3101 1252462.6347 965968.1252 681820.6725 440668.7857 731677.0431 871506.4725 646704.9484 599231.7717 688697.6397 850661.8288 1049051.9010 488982.7142 748343.4163 1395297.5692 271701.3621 1170018.1077 571483.0660 956745.1440 2244840.3029 840627.3367 567137.0789 959623.8509 921611.6271 238127.3336 500746.9417 971400.1424 623145.5553 395060.6783 1671675.9727 668500.0757 747064.0394 840680.5671 544003.6292 760123.1128 1409114.2866 874078.8638 507444.2968 762099.4950 843049.7438 445432.0761 630530.7093 471363.8094 568838.4192 908957.8477 927227.8605 794647.8261 281282.3116 657176.9027 427753.2564 913634.7282 773849.2565 263544.9056 841540.1294 253941.5768 690418.4382 1056407.2158 1023076.1794 1464146.3212 701255.7591 324890.8132 1075955.5181 800241.0240 511299.3741 581894.5667 960981.5182 537951.1979 515321.5315 822866.9636 827146.6494 706014.1209 1297259.1377 606294.1410 626008.7136 503213.8396 720126.8534 1109825.0796 822401.4292 319920.1744 509740.4977 667691.5062 856664.5970 1352952.1895 1349524.3160 1283235.4187 1270288.3865 812394.1908 1047613.8549 1211197.9261 925276.5605 990258.6423 878214.0192 946570.7761 963550.3221 835454.1678 906857.1640 825616.4488 853009.2836 1134394.5261 1096738.0915 1138798.2562 1015834.2057 821169.6410 562047.8085 949980.9858 1617634.4003 985244.9478 1074631.7763 1360047.5863 717525.6668 916122.5720 747763.1875 1109491.7984 813073.1890 790551.6489 1028111.9993 1015855.6507 1172859.7784 1043543.2296 1389322.7804 844790.9738 746055.0993 877688.8908 694851.9028 715679.4268 778486.8416 730022.3701 644079.4469 867359.3384 1187603.2457 780359.3812 636383.2532 685678.2004 982294.4737 555917.1975 599510.5118 1081858.5243 705871.9890 742011.5650 1157119.6596 796997.5803 1087618.0674 1127250.3545 1134500.0045 607493.6743 841924.3185 779400.8623 459576.9114 1271544.1982 681099.1530 824849.7705 596541.7907 1187331.6290 590343.8901 441860.3765 921082.0455 830869.3060 742269.0489 490503.5574 758357.0489 554108.0253 545479.8603 1132206.9203 905192.8533 1158908.0086 1110669.8303 785214.1262 863993.9056 687026.6801 516531.7960 669272.2980 729770.8552 435555.4226 826643.2551 908134.6949 717440.2711 578382.2290 975905.9442 367264.5326 733156.0495 736649.5225 1184715.0444 1281268.7271 1007366.6018 714247.3962 596215.5496 573820.7224 724432.4435 721425.2798 814031.5061 844663.2737 1273080.2615 786026.6890 282643.2033 886643.0508 690585.8938 770659.0449 534611.8437 941150.9272 807347.1388 1088351.3150 922535.7348 1328680.8388 810404.0530 932971.5733 1031164.3658 804260.5651 1210019.5348 1086995.1872 829745.5813 807156.7046 1234850.3799 1158066.9527 781603.3850 880676.2419 866426.3031 1050159.6397 1005505.8845 1102364.5974 1495250.4993 1019900.9910 702446.4410 784808.1328 1810659.8993 1120252.7800 916345.5371 959547.3473 816676.0877 1111543.5951 1332775.0175 1208432.6604 1116108.4394 805977.8423 1006796.9597 1033140.5522 792824.7813 710638.0060 1136768.2038 513095.9941 768229.0208 493569.9856 855081.3072 894654.5254 1122047.5666 497579.5003 826160.2320 568309.4842 636568.8062 421939.4284 365832.0747 969356.6406 734534.3850 722482.2704 1944085.8134 896049.0699 729928.7644 656695.5871 1430105.0011 758951.1423 745343.5530 777400.8595 829963.3846 593931.2884 405583.1702 854663.7112 773149.3267 1475225.7118 857277.3370 927954.2683 463356.2736 851622.4348 805254.2699 968774.6401 634838.2752 775361.1765 357522.2044 1064617.6783 717307.5974 2121920.1018 1183875.3431 925436.2740 715757.8002 754246.2174 869416.0108 713375.1810 867904.5485 787473.8260 937364.5244 1076948.6956 873553.8162 579869.5009 697650.4874 819247.8554 892675.0119 770728.5167 818098.3147 289552.2742 740088.7877 846458.0252 794332.6087 762049.8371 881273.5452 632290.5749 974007.8644 892773.7384 702401.7211 792075.0047 959540.1755 823043.0176 1165716.0376 856734.6823 965549.1056 922037.4617 908724.4318 820993.5033 719313.8828 866270.1496 757609.8686 904554.3410 757046.3400 969194.3129 784027.1838 884261.6998 1157149.6191 1014880.9052 736279.5506 796039.2252 900233.1938 1009700.2436 853931.9013 928906.7633 829450.0895 1307974.3733 828505.0095 1216167.6676 1052773.4018 1034712.7672 995940.2769 1270057.5919 899665.9047 922989.4121 775453.9989 869071.9334 902711.4791 Sorbitol/Manitol 79856.0900 3293749.7280 19915648.0243 2740948.0041 1811554.9287 15628783.3832 19531883.8978 14073874.3430 1400892.3036 1937681.4445 3552.9620 9655375.0481 2761487.7854 1682285.0891 14053564.1394 8777077.2938 1670948.4598 20181761.8993 494001.3653 30201947.6302 119318.1944 21585716.9382 1334903.0477 1532703.8388 3617810.8133 33222248.4202 1628339.2823 808.7579 1051492.8622 3199600.1018 2392653.8446 6661908.2435 1129823.4119 2838873.3126 33573.7970 746549.1932 4440307.9880 1390520.3153 2774851.6374 33444108.2627 7999730.3871 2562.3246 5113748.7663 17107281.1047 2722952.7986 2757872.6672 436.2359 7367873.5741 1350310.6796 10350813.0389 5188.1042 99359708.8661 2015254.2189 6385888.0533 5954194.2567 1639897.3540 56915842.3540 585784.9526 7808579.4617 1634073.3448 17460071.0134 1362809.5325 1639822.0971 6000641.4272 13006.0690 1090021.1351 3360647.8841 16.1747 41850410.5299 633744.5148 2857769.4483 88280.3696 4459404.6630 17444988.9730 1358875.0514 24242121.0391 25540.1887 2896568.4288 398.6053 2721860.8659 2132400.6330 1322580.8657 6240.7210 1746703.7906 1464750.7099 1765114.5001 691797.4947 133070.0757 2777524.7472 2420089.3274 16788431.8913 3532422.6074 2194624.0215 1384418.8335 52948.4060 925.8553 1817.7220 3084042.2625 1407448.4968 2163546.0357 3285732.2429 1083584.7156 1608319.1137 28523.5063 1052747.5069 3902463.2281 1714.8640 89963.6598 2922.7934 2848234.7832 8111.5771 259236.4168 1883149.9041 1336604.2913 3015824.2588 603.5302 1630079.4491 1032134.5105 2587.1843 1852021.1596 3904012.5363 97372.2685 37594258.4778 18834638.8158 11688111.9670 3728673.8591 28011713.0224 9370991.3081 22268586.2518 15803776.0432 9131023.1845 2966953.3748 24943987.8257 1228833.2520 6625443.3553 193465201.7064 1741542.5050 15548018.9908 1394070.4873 1708969.0591 1416270.5809 10848768.7070 4870546.9115 3185793.6232 12582678.5923 4863309.6750 31003.8062 3644762.9541 63522116.7421 19805823.8514 1620.5442 2607043.9033 5122291.7869 20762543.1984 124320.0984 1319565.1951 1085639.5880 28421.8053 33033959.7722 2863387.3372 665865.9742 19798807.0431 11880791.0701 23386998.5459 72678529.6772 2832.9393 1470561.7401 94851.0684 19453688.1629 31149901.2039 3070304.7964 9102501.6194 23977818.2517 27775687.8808 52149241.4726 4971743.9263 11762786.7741 2245384.6347 2748378.5170 1304711.7260 90770254.6024 19683788.8800 5577564.3180 17436552.4159 9605612.5807 248464.1719 3568450.9027 3314796.6714 13103477.5727 3834.0558 1020652.5257 1313932.7847 1503624.6107 1659.7806 1311674.6349 1041748.6738 9511.5033 1346389.4035 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3440702.8681 3087084.4273 3730.7347 2177.8533 19568031.5919 1365416.9280 2795972.9177 87773.7497 1294294.9044 3141527.1403 3387607.6708 157056.5611 63293.7323 2252.6538 3344838.0796 2951712.8648 88399.5028 3276101.4082 2194578.3532 1348013.4967 2109571.2118 3110449.6115 3708.6638 Succinic acid 2721806.0246 2598093.9150 2206593.8663 3560776.9469 3492628.3509 3486927.5296 4906199.6602 4199463.9001 5423921.5950 3322126.3606 1460980.6450 2594326.8351 1769648.4135 64032.6906 1605495.9392 1318192.7418 2938182.8452 1104107.4510 1830865.4688 3259618.6797 1837243.2466 1312528.3412 6812572.4779 3672494.3519 2226530.0220 1264383.0141 966130.4267 2223723.3421 1137228.5179 705388.3419 1290877.8879 870581.9028 1358612.6705 1621752.0281 1735663.2172 1270168.1685 1481225.7551 467270.8944 2173528.8337 2964435.6199 1509640.5415 1394628.3004 2733435.7936 1247791.1430 3955969.6266 3895385.1366 2946340.5753 2844167.8625 4694743.5697 3259956.6939 3214807.2010 2239971.7682 2651634.4262 1203342.4664 1831178.5530 1408731.3031 621851.9714 1705305.5713 3699616.1125 3589022.8485 2710914.9045 4242728.4191 1007435.2924 2325475.8286 2154922.7075 2666031.1071 1748005.2754 1160033.4529 1218134.8277 1749469.6718 1520942.4163 1493458.6644 1374492.1519 12833684.6956 632745.3068 1782134.0400 2419712.8659 3209621.9918 3513217.2416 3904677.2829 3398022.8895 12809900.6577 4736146.9978 5543006.7771 4690141.9198 1279955.2142 3764411.5772 1846812.0695 2744520.1340 4061878.4380 709917.3149 1506110.5477 2943522.2493 3271202.9596 3913603.4235 1502244.5096 7671833.7356 2967986.2432 6004181.1376 1615869.7616 1924295.5275 1207212.3735 628939.8346 1189730.5407 3847847.6444 1393440.9216 1273058.3868 2500811.5795 1287734.9710 1474248.4267 1323292.8725 3809647.8665 3707485.7659 1158815.9737 681.9451 1976377.7674 2208789.0635 6236277.6976 4045884.6208 3140492.6298 2480852.6307 2099786.1996 2564593.4078 4483092.9905 1323216.6895 2098402.4670 965292.8170 2207724.1403 1877151.2298 1635359.3515 2218558.5654 1832319.2589 827332.9131 1109091.5507 1381099.0673 5251115.7689 1104239.1598 2616149.8412 1447295.4858 2978320.5419 2402673.4170 1829299.0806 1562943.8420 1524703.6623 542364.3160 1264612.0409 2459090.1656 2259493.5409 679202.8523 1680462.7772 1636321.8640 2739790.4372 2450386.4402 3109035.2284 2412985.5514 1636829.2260 4344178.4790 3984335.9983 3129620.0737 3522764.2219 1234119.5472 5218555.1161 4104502.5834 1836024.8508 3164556.5278 857859.9763 1554363.8506 1950925.3691 1971683.8403 2081713.1819 1431055.1788 1704193.5540 606754.9932 3175.8643 4524732.7455 353456.5712 1580689.0484 2445215.2046 1811747.9801 3707404.9849 2654005.1017 1380538.6990 1530726.9344 387006.0784 1092721.5620 1170616.7191 1751660.9170 2320490.6580 1745514.5374 1187020.3973 3872114.6349 4015253.7399 1195309.7286 2345783.3753 2305715.2446 6130136.5771 5220391.4198 2007721.7337 3547675.2662 7790713.0395 3795085.3436 4018088.0222 1141062.3695 1446066.1673 1364732.0212 795203.5035 756524.3724 1831395.4933 2069685.5729 1522622.7206 3336638.9280 1309805.0901 1577720.1934 6258842.0988 1234672.5178 1818046.1910 1474237.2444 2625685.1509 2965634.3518 13876948.6030 1547330.4922 1793590.1634 810512.9162 1446791.9036 1190155.1728 1451058.8851 1610338.8639 1700099.9318 3640016.8742 3976105.0142 3117.2186 2361162.5122 1258103.4276 2673461.4249 275945.2722 1397411.2222 1722217.5107 813542.4720 2252309.5535 1702777.6509 1591318.2895 1366168.0343 1575972.3683 4586163.0163 1314245.6846 1482411.5565 1237463.8455 2447891.0248 2171885.9127 1345471.9626 1675820.8462 1546244.8585 3916376.1500 1226388.0598 1571459.3400 1593944.6315 4088066.6640 3075316.5499 1349149.2940 3095280.6792 692348.3875 1521994.2574 1067247.5474 1998258.3602 1381324.1659 1434382.5386 592562.9831 640858.4837 1506857.1215 1248557.6516 8573.2298 672220.6721 1529448.0994 2588965.6720 933957.9419 2273730.7364 3009210.9515 2655841.3326 977585.3290 2638336.1659 335689.0557 1266488.2852 1487137.9299 628296.1785 1465804.6058 1788637.7827 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2752546.0321 1241360.4942 501508.8871 1226866.1196 1878098.4866 2407446.0851 2323100.6792 1566516.2343 2423937.2062 2627170.9350 1429780.7565 1675181.2204 2062721.7200 1904871.8860 1297235.1416 1316106.2237 1844797.2126 1671344.9822 1510766.9385 1726287.9125 1270099.4403 608161.7201 1239957.8287 3168226.4316 1215816.6722 2951558.0596 1655964.8605 1183432.9082 1427580.8017 1667332.8276 1753059.5627 1908736.5754 1799609.2158 1753563.7561 1421523.3466 1433425.2628 1700352.0702 5867233.2367 1569606.9559 3308915.4355 2187821.0330 1498139.9155 2257709.9592 2778150.9255 2019346.6633 1541486.7962 1794788.8788 3089335.4857 2142769.5573 2898469.0727 1459661.9939 1478240.7630 664807.0264 2198959.0889 1049832.6457 2332746.7304 9684834.1305 2201834.8558 1207039.5257 2144342.1888 2822807.6137 2263638.8056 3203041.0900 3799597.2858 838185.1938 1315915.4867 1032549.4459 1352278.5693 2203343.7177 1962837.3544 2337342.5770 1950150.2905 1873380.2910 382094.3934 2137593.7314 1831086.0655 686087.9188 4172136.1117 2757258.3409 7251276.5341 3220435.6922 1842272.6066 2884625.7992 2353466.5193 1377845.1530 3622980.3313 1689979.9318 1548795.1429 604927.1184 1707853.1802 1089496.5559 Taurine 2806925.3700 2053975.4013 1980964.1483 2024090.1986 2322270.2252 789423.3588 1851465.6311 1957364.8488 3109647.1512 1631649.2600 1963814.8125 1389325.9150 3503773.3800 3122019.1326 2051005.4375 1951646.2380 2307227.5754 1335990.2481 2102587.2627 1790492.1104 1552833.0089 1757759.7430 3121438.4725 2358900.0239 2359413.6801 3168390.0073 1435127.2526 2283764.4457 2614919.1520 1926350.2855 1319809.3788 1291230.5963 1813822.1789 2104884.0643 1074030.8137 1183340.4902 2946463.1750 2221911.1020 3315672.2077 3944084.1719 3635433.3595 3335629.1009 2063167.5362 2641535.4810 2351597.9552 1965126.6032 2607012.0435 2290123.1776 2495668.2771 1659943.9257 3358938.4275 1328407.0268 2265275.3690 1889516.2857 2264991.1848 2208104.0862 2104783.4200 2575107.1102 1035368.1548 1408633.7788 2194067.2319 2134103.0126 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2428845.2233 3028937.0255 2156950.9832 1834875.0636 2040283.7284 1902101.2978 1310887.7114 1669490.3934 2338147.5730 2598607.8320 1742119.5286 1306912.4261 1221840.8146 1480348.3920 2515959.6114 1662578.3707 2530372.9356 3044268.5271 1825215.6546 3230090.3444 2816807.0575 1839307.1464 3672522.1084 2189464.7998 2302868.6917 3900349.8751 3980415.8371 2516792.4445 1073244.3295 3283557.5697 1497091.1899 3023869.8410 2312726.0730 2105330.6289 2984654.6220 4525314.1390 2286204.7594 2044541.1403 1616086.6922 1945959.7119 1516724.8273 5661154.8754 3963302.0186 3108124.4341 2304553.8621 2122961.1872 2087048.6878 3428162.4656 2556860.9660 4278627.6389 2021357.3919 2392932.3742 1931149.4386 2687229.7369 1288188.5427 2098455.9600 2108218.5706 2370630.5490 1448718.0687 2486217.5134 2656907.1508 3020775.6540 941040.7743 2973956.5449 1772657.0492 2023304.6684 930556.3038 684019.8492 2709322.8075 1981315.4879 1827747.2177 4772572.0737 525080.7579 2118465.0536 2185597.9401 2133157.2098 1980962.3421 1900388.9446 1978215.5723 2475478.7988 5054096.9651 1630442.7550 2386094.5387 2213095.6670 2917770.6715 2292634.4227 1119483.5094 706275.1850 3810213.2162 1865589.2141 3103375.8987 2518598.2678 1922905.1760 700308.2711 4085400.1596 1880179.8583 6022556.3873 1017253.5629 3216197.3007 1390111.1912 1882102.8103 2652798.7519 2987897.6591 2586039.9162 2931506.4866 2469034.0193 2679795.6049 2422218.9537 3882596.1748 1467589.9371 2478347.6002 3393397.9560 2500695.8238 741541.4074 1606905.7107 2543430.2102 2812155.9960 2144190.6445 1697913.3223 2377442.5828 4118970.2772 2310249.4041 2547429.5700 2182752.1151 3508131.7515 4322969.4951 2967836.4810 4600229.3860 2298430.5362 3092989.7507 3249940.7854 3056697.5891 2998744.9980 1471127.4543 2634744.1860 2849308.3963 2543693.3099 1432684.9534 3111283.9366 2264482.6771 3011997.3456 5878067.5609 895970.2922 2407010.3409 1140819.2464 3684022.2970 3338688.8233 2780362.4485 1704938.9926 2057547.3323 2710796.4587 4691064.0237 5008947.6780 3134579.8016 4041817.1417 1235613.9218 3959125.2297 2664036.5312 4375301.0323 3107856.2104 2440383.8979 2428496.4446 Taurochenodeoxycholate 479.2316 265987.6438 1031.9404 75806.7004 2191.3743 3058889.5150 1829.3128 2666.6277 988.0025 708.4409 226998.0268 43530.2857 594437.9053 1895.5477 2043.1721 811475.1454 258.9216 2487.1114 26327.5457 3014.0197 271.1693 522190.5300 93925391.5013 3688.6709 697562.4273 2613.0899 3792.2557 3756.1582 2008.5550 747899.1564 284.5810 151249.3829 1070.8901 443625.0710 3095.9793 462885.4785 2854.7445 2497333.6772 502610.3675 3801.8578 981.2580 1277.4112 679066.8628 482.5425 531959.0409 2375223.5016 3419.3774 3284.5524 537.1138 1797.0645 25990.5559 3744.1835 3963.5374 2731.8051 808597.5739 2826.5429 2360.3852 821.0418 673.7187 865977.1401 708166.0722 110944088.8363 3596.5578 771117.4073 2815.5195 2644.2587 730635.9909 719.0951 2280.9742 2989.2799 203159.7901 1622.5622 3826.7077 3381.8897 2378.0452 3428.3439 2187.7826 677668.0735 1570.6917 544697.2795 260.0540 146.8671 1787.5705 1499.5360 2964516.4570 527.6799 635.5181 2070.9900 562698.6189 788.8449 2840.2071 683198.9857 3234.0648 3872.9618 3316.6126 804936.3564 2189912.5804 452143.0694 994.6588 1541.1356 771406.8833 355.2217 610.0917 2911.4407 3610.4670 749607.3595 147.5416 376324.4221 1078.6449 438107.1292 1492.0666 2624.8273 691.6138 4889922.5543 2366.2482 3684.3849 55996958.2713 2104.1586 2115.2374 1290.8793 646651.6064 531218.3808 1945.1160 2077.7481 1305.4240 1468.2471 593.7772 1187.2930 2836.9643 3973.2631 2965.9358 375830.4882 469607.4601 15094117.2612 1986.4905 8544491.2543 2097.7448 698375.6961 3606.2498 97.9464 45.4027 11627189.2797 789235.5692 400400.1259 14.8969 2164762.9869 618.0934 792874.1106 3299.0126 630856.0769 3871.1705 1742.8854 2558.1836 1388.5867 2908.0157 46266529.1032 263.3627 1625.9975 2407.7478 477193.8747 813282.3069 3068.1865 1659.4001 1342.9236 113897.6101 2827.4517 2166.4961 466017.0638 72121.4168 11932858.5821 232872.1008 242.5246 21.2801 1092.2279 1116128.1342 617.0324 806517.9068 3248.6796 1077.1817 1127.6254 7110637.1214 789893.3596 467541.7974 1892.5825 937458.3050 2494.2099 831618.1454 934.7505 644576.0020 731.3798 3179.1117 3484.2429 390.7841 1880.4339 9250282.6277 3792.6238 165.2451 1147.6207 660285.6793 25552972.2028 1056.0123 1614.9127 875.0131 2083245.4468 3267.1593 3035057.3332 1900.5703 551405.8789 3087.0921 683356.6877 143628.1488 2468.0778 3551.6734 11485204.0735 333.2727 808216.9864 1195363.0208 2117.1555 451.3512 996.4287 788454.5739 42846.8931 2827.5343 4934506.9472 361.9315 830179.3597 1733.5146 592600.7188 2097.6914 539.0450 2054.4160 768652.0463 33147.9354 70544.0766 13820152.0996 3400.9148 666002.4123 3248.1358 600274.0790 502780.8619 3080.6741 676534.7075 729.8241 441.9967 462.3666 24591232.9292 3550.5492 793805.8237 523570.8099 1252.2821 333.8455 692816.1021 3496.9092 1168.6287 1285.3958 3618971.6835 1785.4092 3469.1972 114852.0190 3347.4022 816.5907 91.4027 372111.1645 110.5842 1846.7447 2228.4505 1522.7470 1668.1522 766416.2233 513.6616 3738.5662 3687131.6174 1748.2786 782730.7601 2273.0571 1590.4877 3155.1679 809669.7079 3505.8060 2796.5085 1001.2925 381.6701 593280.7513 2527.9447 379703.6078 610534.6486 278.1690 92.7174 5846.8077 308.0248 701203.9300 689482.0311 1759480.3106 2201.7158 108314.6038 2114247.9094 811.5664 80764.9409 140.3889 1527.5042 2806.8571 707.0317 2596.3147 1198.2844 1995.3121 1948.2589 3539.3631 769229.5184 3303.9798 646405.1337 2451.0247 2964.7823 3517.7937 446.9109 803933.6069 2699.3135 539353.2206 763228.4379 212.8360 580421.4256 1396.2593 366244.2042 2817.5434 6217306.2019 403.3129 792770.9310 728653.5056 2314.8504 3775.7913 658900.3846 121980456.1173 2916.1433 3704.1982 1840025.4563 485.8434 1766.2255 3045.4094 142123.2246 4715366.3706 341.5027 230.6257 1570.4871 309.3207 918.1410 3455.6115 2342.3326 757685.2635 756.6322 742413.4309 2701.9157 638755.8164 1384.7557 708475.7612 47158.3830 320659.4003 1659291.0357 794860.8626 6690051.1892 704167.7146 540.1085 1956.0759 250273.4389 525688.5095 1696.8741 17398963.6550 50551.1538 2155.9094 640357.1690 80764.1935 3887.3922 723029.5228 776922.8300 76227.8649 3291.2590 2808.5380 2650.7935 638321.9157 730375.3990 296297.5786 8045499.2365 3357.2972 3152.6504 733604.3800 1854.6777 710760.1451 1241.5564 3542.8961 738097.0737 765434.0024 2599492.1895 273.5497 2524.3284 3364.8507 729464.3594 796138.7543 1192.5725 128494.0616 687394.6064 733780.7166 3073.2159 799.3557 2603.7719 656078.8942 2470.4045 708379.3540 532451.1040 3694.3357 3620.9126 552937.7258 653208.7163 3669.4969 2852.1141 1442107.8511 3061.9205 1924.9015 620584.7366 3167.9524 3526.3334 3232.2951 732715.7406 2817666.4653 549981.7408 1137.1515 615060.8506 550329.2621 5447.6802 23622.4661 814436.3169 3331.2600 706569.3223 3061.5287 724413.7322 431613.7487 701709.8896 3029.6383 323.6015 3067.2053 1299.5116 648804.5250 60.9279 1470.9261 689284.3882 638583.8532 20661446.4582 3120.6026 737.0054 564401.3570 327328.8444 14266.5690 679779.7302 3517.5217 234843.5171 3714.8668 718181.3032 2702.0658 Taurocholic acid 337.5074 885264.2174 2690.6522 496223.4763 3520.7339 79647.1057 31810.8096 726.6538 2456.8766 1477.8023 252170.1298 2691.7115 1024740.8020 3150.8708 2231.3678 1340401.6745 376.4518 1386.2595 42711.2496 1369.8537 3848.0178 1098224.5650 9202808.7407 1821.6765 1284497.2410 2933.6164 1077.1849 403.6270 848.2664 1250775.5702 1210.2939 2529.6324 3421.1498 949166.2250 3954.4758 91890.0576 2583.6250 870035.5104 1002483.6655 94.9283 1572.3170 1304.6585 1135468.1872 3042.6042 1031055.5856 465.4599 2391.1478 981.2147 2764.8152 323.8219 2386.5438 1331.0946 591.7279 3600.3385 1349118.6495 2179.1479 265.6694 1626.2041 827.3694 348049.6302 1203349.6572 22107725.5392 973.0744 1289104.4747 2186.6568 2157.9310 1248294.8359 1420.4726 1926.4233 3679.8953 907316.3830 3445.2055 236.5763 453.6394 3540.3233 1937.2878 1618.7532 1130667.0533 3420.6684 1046230.2433 3799.9473 356.7013 2187.7330 2572.5541 3960.1712 2944.0535 2620.1544 2725.0698 997240.8747 1464.7569 2589.9792 1328678.9442 54.6995 686.3446 689.9836 2343.1827 475440.1636 1179509.1353 83.2476 603.7762 1292112.5834 1420.4316 1241.3985 40.9492 2671.9334 1250695.4029 1100.3589 1.9527 1592.9247 973332.7366 2068.2396 1439.5186 1149.0575 72478.3735 2704.4184 345.1395 3966806.5810 1460.3180 449.0468 450.0688 941592.2697 965523.9059 2493.5520 714.0869 1208.9903 688.1680 346.4024 3861.5600 279.5225 406.8476 1285.6223 914728.1262 478236.3115 4554391.6618 1695.6095 3767320.6033 659.1002 1175233.9530 3374.1550 608.0671 3578.7784 202727.8422 1320311.8456 1045706.7053 1251.3375 971500.2074 3349.4416 1299360.9786 3885.0233 1068915.3219 2082.3369 1428.0423 3394.1714 1075.8922 2569.9046 2311969.9029 893.2304 3197.3450 2499.6179 601781.6085 417727.5643 2047.0042 1315.3361 158.5614 431.7203 1932.4389 3088.2505 585.1216 1008020.9772 3737.0102 858455.9929 1286.5112 1577.6756 907.2609 724475.4038 2636.6493 1324631.8086 462.9869 3828.2522 1886.3176 2789.7346 1317911.2786 1020030.4563 2167.5908 228606.1637 3941.8401 1371138.8283 1530.1107 1075454.0124 1262.9226 3646.6690 2198.2241 730.9863 1825.9484 800.2569 880.0479 1177.0975 1739.7174 1102275.5681 13699415.7935 1064.3537 377.6318 1307.6533 96747.5001 2610.2176 560.5670 2897.2309 1092454.0295 600.2384 1140577.5729 2096.8166 2036.9815 1889.0222 12213817.2728 3127.1547 1348347.2069 202596.0468 168.4539 2592.5061 830.4408 1315510.7117 913109.0246 2077.6190 1854497.1569 2774.9747 1385127.1544 2115.0371 1053207.0451 2186.6316 711.6734 3610.9330 1323087.8164 606762.2930 2768.7423 1249149.8814 2011.6293 779895.1302 3705.9737 1112648.9675 984879.9328 753.8952 269640.4387 2330.1475 1723.8957 1958.7984 102.1359 3851.4460 1325682.9890 1072416.5511 3144.1042 1352.4760 1140288.9086 276295.7468 2115.3304 2763.6646 1137230.9628 2486.0481 3225.9298 57496.2109 382.0613 2625.6758 2216.2715 324479.5422 2455.3553 3135.6803 19.3883 3807.2550 2424.1975 1244898.8200 2142.1663 76.4563 567.8116 3167.7943 1323151.1574 2924.6862 2241.1288 3543.0288 1360496.6915 472.3617 3294.3878 2812.1688 3208.0118 575594.6402 2705.3854 898698.5584 896757.3260 294.9884 1757.8032 3193.5270 3948.9657 1240437.8853 1156167.2411 3347845.3945 2777.7126 1610.6364 1071944.5764 3809.9351 40081.9538 419.3878 3249.6646 1516.4564 331.0123 553.3916 1784.9109 1681.7310 105.3477 1689.9976 1282369.0955 3787.8527 1360809.3403 3018.3205 1892.0549 1372.6396 2126.9397 1324557.8712 876.0565 1017284.6125 1288457.4149 2986.9944 27367.8695 1633.3341 150.0288 3704.9789 2932.6380 3843.7662 1322712.4126 1257154.1188 2651.0312 3152.3022 1147107.6040 268563805.9401 1443.6894 29.8070 896609.3588 3836.0626 3107.0165 622.8475 229.7417 13.7022 1092.1114 1989.7784 2577.3776 1026.3081 1152.8180 3593.4336 2496.2415 1277704.5550 1221.1261 1238692.5679 2506.1103 1066815.9876 235.3259 1193921.3210 57882.3775 161869.8728 261986.5769 1387363.5685 72216.4488 1161281.2755 236.8083 640.1151 919873.9467 1217705.8390 754083.3514 3458047.1420 2389.1269 2344.9983 1074281.9459 1474.2373 3104.5239 1215211.6734 1294444.5557 51994.5023 2979.3958 3369.0073 926792.0120 1139218.3211 477300.0998 905182.9689 984507.8580 2234.5765 1669.4049 1225274.8530 9572.1230 1185880.0941 3194.5847 746.3010 1231490.8669 1277101.6398 485029.6494 1383.3903 755.7058 2424.1581 1217087.4650 1328590.1710 269.0507 1125171.0683 1152272.1562 1224289.1660 2060.9477 1536.4134 3285.4987 1094510.7157 884.1285 1194003.4098 1182707.0914 3542.0632 3397.2858 1148063.2369 1070897.3131 1041.4093 1400.7447 1908759.1315 1969.7235 1315.6332 983501.0365 305.5749 2861.1188 3356.7941 1243493.7019 1125.7762 923091.9688 3785.8051 1196023.3523 1366532.5255 2147.0867 2980.1716 1389928.2884 3624.4049 1177714.3099 1547.7071 1228581.7274 1233035.7602 1184524.1836 594.9640 2226.4569 1228.6226 1219.6148 1089469.0865 1759.1046 2342.5459 1214686.8980 1276732.9711 54278823.5625 2858.0195 3254.4403 1276060.4123 1072785.0612 2040.1088 1219115.3992 856.2429 81372.2407 33.8819 1221888.5990 1834.8413 Taurodeoxycholic acid 880.0825 265987.6438 1791.3057 75806.7004 629.8609 3058889.5150 180760.5141 2905.6315 1338.4556 1659.0762 226998.0268 43530.2857 594437.9053 3127.8505 3994.1385 811475.1454 2233.5487 2947.5033 26327.5457 1335.7811 2240.7548 522190.5300 93925391.5013 2075.0597 697562.4273 1878.1614 1894.6378 1344.8885 3881.2576 747899.1564 2435.8091 151249.3829 1250.7030 443625.0710 1416.1626 462885.4785 2901.5910 2497333.6772 502610.3675 238.3545 3052.4967 3255.3512 679066.8628 2935.5291 531959.0409 2375223.5016 2984.6513 19.1037 350.1743 853.0109 25990.5559 2987.6240 3261.6947 2435.8510 808597.5739 1309.8967 2844.4354 2315.9759 1276.7643 865977.1401 708166.0722 110944088.8363 1491.9408 771117.4073 1389.3830 3155.8311 730635.9909 3919.1005 1984.1852 1500.8386 203159.7901 1622.5622 1671.5874 1141.3842 2424.7631 1946.4103 2951.8962 677668.0735 526.0424 544697.2795 290.3888 2933.5460 3818.6692 2538.7046 2964516.4570 2252.8826 3220.6132 2295.3631 562698.6189 2742.0733 1860.0321 683198.9857 2924.8702 3228.9832 2998.5926 804936.3564 2189912.5804 452143.0694 1079.5095 317.3687 771406.8833 2757.1152 2276.9572 1647.4773 2894.4863 749607.3595 1165.9201 376324.4221 21.6041 438107.1292 3115.2296 2029.1848 2767.4327 4889922.5543 2755.2936 649.6277 55996958.2713 3492.2293 1772.9894 3494.5918 646651.6064 531218.3808 77.1026 1605.0784 1301.7926 3254.2538 2614.1235 2387.9934 2836.9643 2130.5491 954.3122 375830.4882 469607.4601 15094117.2612 16.4323 8544491.2543 182.3531 698375.6961 2987.4213 3329.9779 1717.6453 11627189.2797 789235.5692 400400.1259 1531.3787 2164762.9869 3009.5337 792874.1106 2926.9419 630856.0769 3972.8125 1331.4041 3867.0662 2808.0561 107.5753 46266529.1032 1693.5837 2903.8536 3129.0811 477193.8747 813282.3069 3503.7727 475.3075 2498.4645 113897.6101 146.5253 3926.4365 466017.0638 72121.4168 11932858.5821 232872.1008 3822.4869 79.8822 404.5496 1116128.1342 1093.7319 806517.9068 3986.5185 3659.2835 2397.9690 7110637.1214 789893.3596 467541.7974 1065.3220 937458.3050 2927.6156 831618.1454 2567.8535 644576.0020 166.2038 2148.6002 1101.5726 2946.6017 3240.1942 9250282.6277 3458.4957 3218.3891 861.6234 660285.6793 25555939.1586 1207.6005 1757.7907 853.3493 2083245.4468 1477.8878 3035057.3332 1977.2601 551405.8789 3332.3775 683356.6877 143628.1488 72.0810 974.7028 11485204.0735 2382.3367 808216.9864 1195363.0208 467.3897 298.0626 368.4141 788454.5739 42846.8931 3142.7153 4934506.9472 2325.4665 830179.3597 1202.4854 592600.7188 1168.1679 1894.1764 3888.2970 768652.0463 33147.9354 70544.0766 13820152.0996 2525.4224 666002.4123 3273.7756 600274.0790 502780.8619 2038.3263 676534.7075 3838.1795 2531.4763 3928.6922 24591232.9292 3769.6806 793805.8237 523570.8099 865.2114 1749.0360 692816.1021 447.6832 813.6405 2532.1116 3618971.6835 3997.5680 197.0043 114852.0190 1977.1580 3147.7451 3588.9090 372111.1645 2017.9965 485.6014 3036.1290 3869.8055 1083.2826 766416.2233 3516.9728 3979.2525 3687131.6174 1206.0697 782730.7601 2225.2423 1004.3567 3243.8783 809669.7079 266.4772 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776922.8300 76227.8649 2388.1584 2540.5131 1931.9229 638321.9157 730375.3990 296297.5786 8045499.2365 2320.1492 955.8925 733604.3800 1879.3795 710760.1451 2129.3262 955.3500 738097.0737 765434.0024 2599492.1895 3352.9877 47.8021 774.5184 729464.3594 796138.7543 1785.6071 128494.0616 687394.6064 733780.7166 341.3901 333.5217 2179.8471 656078.8942 451.3423 708379.3540 532451.1040 3920.6162 3091.6465 552937.7258 653208.7163 3173.1504 3892.4221 1442107.8511 41.5120 2817.6495 620584.7366 1926.3840 3642.4494 3135.3601 732715.7406 2817666.4653 549981.7408 2868.6501 615060.8506 550329.2621 5447.6802 23622.4661 814436.3169 3139.7585 706569.3223 1796.4021 724413.7322 431613.7487 701709.8896 2895.4587 2254.7009 586.1463 3111.8800 648804.5250 61.6268 2055.4622 689284.3882 638583.8532 20665612.4777 452.6917 2289.1320 564401.3570 327328.8444 14266.5690 679779.7302 806.1169 234843.5171 1644.8251 718181.3032 506.5353 Tetradecanedioic acid 1965016.1050 759778.2746 1531907.2111 113781.3966 1031.5752 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916046.4433 5097524.3142 1477981.6409 5945345.4391 5073544.2612 3670.0382 5321308.5595 5691115.9654 1301097.5696 5594915.8248 8526116.4288 5436624.1868 1805630.2311 1877219.6272 1137447.8100 3562827.7675 1168955.5782 1839901.7982 1894554.6011 851697.0139 3336481.5713 42410.8359 587357.5374 3864695.3085 2521481.4589 8435725.2953 212677.1857 1196327.1612 2414007.3931 1989534.1330 6714681.2978 672744.4431 7471838.3016 2075858.6506 391937.9034 2682962.7472 1065674.2783 2073315.5169 1195779.5952 28014.9025 870102.8577 1949369.3675 1679432.8795 520040.9223 2024570.3793 6890203.0996 615356.1677 6800558.4806 2124633.6876 1273991.9336 2418428.0607 7097168.5775 578567.8581 646574.8818 2549145.1867 2305892.9297 269955.6831 6200616.5451 4096511.5968 1820491.8925 1719204.3199 1215637.8963 1677982.8308 2001314.8431 2392296.0044 564745.6227 1826826.7928 2734522.9378 1628665.1386 1759.9147 1999754.7176 2525135.6343 1954142.0160 634931.4867 1745563.2565 1767800.4811 874533.7669 3594.9753 1369116.9037 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2538238.4528 3671318.9898 2614939.9947 3392436.9512 3213092.8206 4629306.7226 4254490.9898 4056296.5611 2417094.0629 3423889.0534 2994244.7918 2892219.2371 3715515.4445 4105939.6884 3466473.2644 4322908.8063 2429165.6296 3099273.6959 3866653.7459 2429437.1471 3993256.4425 4337631.2186 3436795.5712 3276047.0126 4512157.6262 2043345.0974 3284807.9786 2997777.6984 3141349.1783 4259731.6457 2714481.5294 3620227.4389 2771264.3116 3485257.2040 2321731.2317 Torsemide 25888.1027 522932.6170 32035.3577 490404.9491 39574.9325 37588.4243 14023.0274 48347.5487 36298.6757 47978.5147 11791.6845 29111.0980 499158.6673 46435.1403 27342.7681 622578.9558 7026553.3797 34697.9894 4454.0345 39500.5366 201190.6073 556926.4977 37249.8354 42838.4070 28998.3583 40900.6909 4839.3883 446679.5274 575436.0055 17690.9148 19811.0400 21863.2108 492346.7313 12241.1621 15637.2266 45116.3249 205390.0267 501139.4099 29404.8993 40547.3784 26111.7808 522613.5438 31630.9685 487420.7135 39101.0530 13916.2773 50977.8486 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4027034.8743 31982.0623 46909.9752 604448.3458 538108.4934 38110.8838 29872.8922 38820.7891 634588.6767 30268.1710 495022.2802 21859.3612 4225025.5167 34693.6438 42842.2623 272679.3893 1319969.9435 28016.7715 9902.2768 35618.6611 2697735.9502 37195.4998 46722.8228 27180.4011 23989.4785 33923.2548 38741.7417 9591.1409 518802.5995 28900.1965 526985.0560 13202.5491 31097.7042 49172.7433 39481884.7652 89342.8678 621800.0233 43783.7485 41794.0441 32007.6828 54652.2852 607083.2607 537899.4950 38160.4157 29840.7842 40163.8868 637184.9614 30529.2039 497033.3024 1240291.3695 28017.6862 35033.2818 41574.4810 21300.5823 35624.7594 27711.7688 9799.5568 35222.4520 510580.1144 15336.7651 57316.7455 46147.8257 26674.9452 23432.6589 32754.9108 38970.9060 9838.3016 517047.6350 28792.7600 529054.5779 12964.5940 30527.2049 47850.0901 404170.5692 1979138.1342 627665.7030 43556.4110 369118.9031 31886.3117 46490.8059 608508.5407 539835.7242 38217.0475 29214.5963 39359.4626 638624.8016 29860.9031 494094.9090 21627.2197 26897.5095 34477.8464 629674.9360 38174.8804 19049.0364 43105.1243 35792.3223 612826.9637 27695.9783 532752.6897 600022.5088 46636.3135 12425.4643 18152.3132 14245.6037 31644.0646 43107.9300 36420.3297 610909.2839 584663.8883 30676.7133 7773.4635 542609.3264 28417.6138 32811.5390 610914.8472 547295.0403 44589.7548 5823898.4279 5640.8419 73189.6011 38815.5256 31912.6421 397336.2858 31892.9014 44963.6309 2916958.4991 44734.5707 30544.4062 590948.5620 7095.0196 33038.7550 42870.7390 36229.2630 610045.5551 30299.7298 7415.7365 45151.7351 631207.0236 38453.3415 19644.5828 43646.9734 35268.7912 365375.2934 28223.7336 532376.2524 592936.9794 46767.1885 11579.7371 18568.3288 14491.1584 542273.0632 28448.8468 33567.3022 27663.1443 5640090.1036 3537294.6508 5374.5346 704732.7227 39464.8364 32777.0334 27935.4656 31664.2781 44480.2135 35193.0014 43137.0588 30837.9511 589313.2210 6717.1861 634116.4693 38408.0959 19011.9227 42793.1349 35920.7113 618651.1118 28257.6931 535140.3396 598083.3091 45881.4684 11346.4769 18139.6610 14458.8665 31253.6754 42384.0712 35813.6788 611254.1065 583425.5510 29846.5676 7185.4383 538156.3853 28140.8872 32838.0081 27328.7226 38326.6868 44094.6425 27803.6276 5400.1249 33996.1175 37543.6428 32272.0465 27842.9453 31233.2506 44866.4766 35142.7085 43482.1967 29911.3270 591279.9424 6835.4145 571292.3041 43739.6531 509290.8793 27077.7534 554385.5794 630523.2211 6568.7925 39014.3404 628605.4562 32595.8609 542429.9122 37422.9010 34248.0080 565333.5954 581807.3144 550039.9761 32298.8779 40445.2871 39989.9154 499758.3112 16983.2920 33660.8277 562488.3511 615318.2292 8348.3122 830543.2857 16705.1476 600703.6244 530812.4562 25463.1073 578425.8350 39720.5626 8710.8108 42388.6824 566700.7636 23530.9960 547020.0441 37412.6007 34243.9709 565390.7721 584784.3783 31723.6500 47501.0585 40741.0114 32855.1152 563430.6284 614259.8398 16593.1700 605149.8209 528853.2689 565607.0363 23939.4424 569711.9615 43387.3478 505178.7916 26954.0175 551195.8530 631688.1016 6434.3742 38288.7761 549131.4382 504281.1556 17089.4094 33412.9424 8919.1103 42822.4568 25804.5276 576217.0154 39707.8070 9157.5779 43136.9751 576014.5808 43482.1363 506390.5359 27257.9580 557171.0517 632618.9804 5903.3659 37620.2288 636302.1709 32666.6535 547704.4559 33555.9013 570590.3536 588730.6132 550788.6539 31397.5406 40726.5044 40628.2405 36891.1939 504980.3608 17165.6611 33051.7906 562183.1540 616366.8291 8350.0822 41088.4395 16308.4869 603573.5519 531602.6509 24737.0292 579225.2139 39626.9879 9008.8253 42195.9122 566461.5030 23796.9857 Traumatic Acid 321528.0892 1052331.7592 983615.1592 1009909.7614 1328087.6275 2541104.1122 893574.1545 2686.6888 2033.4447 3663.2700 269338.8416 374755.9846 1240274.5496 2598.6550 2241.2998 536527.9616 4784484.9900 145.1104 307159.6102 735031.0601 766107.0009 733402.2053 342173.9117 401296.8735 1380864.9673 1550987.1875 3438.6208 258413.0325 1010.6064 1546908.5264 436265.3267 665067.5621 310710.8461 1392886.2892 574087.7205 346747.8276 477.2422 610417.8308 1141063.6543 893988.9291 1496.9573 309939.9018 1149613.1720 316391.2741 672678.1095 504423.3333 353943.2960 1384.1571 746526.1264 2912.5414 350486.9301 279697.7270 3159622.6978 725335.2260 878172.7448 1756579.1124 37.8763 255062.8701 439778.3049 809928.9684 956038.0598 1516727.9542 405954.9692 1385109.2629 284333.5595 8446213.9514 1177326.5618 1546211.0710 245080.5995 283561.0148 1321179.5769 251783.2595 488444.9375 2365274.5719 2660371.7611 818028.4327 251291.7615 988638.6130 560643.8727 3286.4323 1256055.8980 1900301.8715 487187.6058 560351.1850 209389.7416 3038.1511 459620.4510 370159.0497 790758.2495 1434794.3469 1672088.9460 495181.1390 2015412.8990 1246004.5560 793941.3872 390747.2035 1337125.1552 701951.8700 1337915.6397 2246414.3235 1487026.1286 117320.7628 3400.5749 310390.9698 344986.9803 1156010.3989 1114329.6445 569879.1001 186149.5100 1211574.7308 730505.5088 920950.3812 5924005.7910 3634108.2233 1716.1302 672117.3957 73363276.1210 220327.6421 611528.9925 1897.3267 1051622.5984 280696.2302 608314.0497 1175747.3411 383941.3216 523461.0401 232813.6186 800.3735 746990.6803 876621.0690 854706.9626 1291279.6962 35992.2969 2637069.9142 4431127.8782 1939624.6657 1004.2069 1335762.6830 6119980.7960 1361014.4863 583145.5040 540160.5291 1230458.4207 1175145.0046 887.4042 295196.9044 82892.2529 1633823.4863 1257166.9479 1160126.8430 188620.2587 833834.5849 379402.2346 2768.4688 634161.4002 68002146.7253 293437.2555 683427.5899 10485033.1989 1082037.5605 519659.4273 799791.6805 188.3871 651792.8983 534575.4707 198718.0098 669.3675 384238.6166 839136.0419 125545.8789 1416715.7442 324701.1992 436.5325 67969.7356 1414195.0192 2277.4833 1204770.7459 1363973.9469 1462948.9577 656061.7065 1500053.4585 1124751.3801 1099984.5419 2566.6665 349003.3771 233889.0650 1709331.0913 1441797.9869 1127829.4285 830358.3673 661952.2001 237386.7436 2290.8039 728542.8132 4135455.3860 1134358.2866 928019.7165 7743122.3015 1484.8388 770979.2114 492458.5967 1929389.7421 388214.5712 788295.4181 220763.1246 2544.2832 366428.2565 1163280.9018 2870.7505 944246.8697 293685.8083 182271.1217 466532.3258 1667704.5398 346816.0585 771646.5753 1169750.2130 411386.7791 665004.1078 2679372.0727 1116516.8334 934660.1263 2301696.7135 716200.4932 2038763.6014 710814.1324 1282173.4394 221614.6279 976442.6698 345725.5332 57816.0516 1421613.5187 1212.1399 259592.7193 494872.0491 2357.6042 1270024.5012 1690790.1922 524571.6598 1516772.6162 3166.0819 262787.6457 303607.6085 967373.5274 3318.6789 3406.0518 639054.1313 977311.5294 1217885.8914 3077.6254 389965.1970 1249410.7633 558923.5854 1282163.6415 149300.7311 634146.6406 240622.0866 684544.3605 383383.6430 540166.2963 572257.6878 186373.5144 829031.4143 5874789.2122 2353.3874 511708.6643 40862.3624 470104.4618 825254.4906 1263219.1856 1530.6508 54833.4615 837276.3322 954270.9694 3050.3878 244987.2926 5223647.9709 990950.5784 593347.8916 548065.0805 95248.9830 606.5995 1456559.3918 773229.9704 1019082.7960 1443636.0171 1390.4452 256057.1206 780272.5976 868914.3403 1323364.9845 1104635.7484 963472.2223 2417.8020 375748.0972 620242.0258 654053.0853 305099.4219 388311.5729 194678.1628 173077.8929 403997.4088 2037.2002 1145.7844 755164.8622 295413.0438 3951.5199 1382863.4384 548084.7387 1015609.3730 92540.9661 1175431.1519 2698347.3109 110948.8776 1478975.4729 2227894.7725 310977.6701 619212.6236 710.4930 387493.9992 1425169.0162 2029109.1598 161686.9420 855512.1801 315008.9016 970336.6940 1419980.7564 1698.6983 263401.8891 1218447.0258 838031.6071 966011.5927 264150.9259 983575.8839 1674626.9463 362779.6405 415012.8631 118333.2746 491434.2915 295133.4800 915656.7569 985.8066 47438.8471 1756014.6080 2021.5681 105189.2058 1026778.8467 966876.2324 828646.9712 1031121.4852 1196350.7161 1205.5611 1072660.6979 1414280.2932 1426958.3062 337081.5370 1015339.2359 288430.1588 1505481.2130 19790.0059 417513.5830 1013803.7181 716195.6458 1174598.5631 2520149.8365 2845.2973 3099.7707 1229297.0230 66112.6993 538037.5391 1212003.5915 1459070.8973 226662.2428 540595.4908 340327.3731 1617010.6264 1172296.9206 497771.1445 1086412.2421 2781.3902 751694.1547 341542.7168 1294430.0533 249184.0324 1144323.6684 412301.2611 1002153.7630 903375.6342 1032638.1685 951671.2804 111081.0589 1731.9686 2169.1712 925745.2898 1408973.7730 569977.3240 1570499.4119 1045554.5480 1406690.2884 62448.6709 1357846.3174 815781.3131 1195525.0468 418120.7631 1173672.9885 1371034.5252 309147.3726 991893.3835 929842.8332 1231938.9422 166575.9231 3735.0263 142208.8856 712960.7616 413601.4650 1150378.8076 3204.2189 1601650.6282 3475.6709 1363534.9680 266957.7164 1316708.7599 369618.7756 911453.0664 1167714.4272 240120.1456 1216803.7808 373290.8240 215611.4781 692360.3421 370410.9695 1356158.0885 800982.3705 1247207.8595 513670.1654 1326294.3791 599506.7519 10123.3610 1299090.4296 801480.9744 1159829.1789 1752.8285 1358821.0323 1500089.9776 1330872.1978 1258474.4783 1190097.8370 710265.3410 541865.4716 1017200.9627 816331.0367 265278.5177 437693.1133 1324916.9201 261020.6817 Tryptophan 2521397.4823 6282224.6171 5092287.6170 5840621.0801 4054743.2168 3836182.5553 4334767.3754 10313742.2061 4713845.5617 5042675.6993 3712672.3974 6155148.0950 5995080.4197 7700542.1896 6892722.5013 7137477.5481 11919407.2365 4989728.4108 8725537.1089 9258965.2642 4896216.4286 4084920.1323 2549954.1716 58073.3705 5990190.1467 9596496.4222 5707107.5455 6012070.6395 6410778.8048 2319834.8133 3696567.7722 1968463.7544 3741155.5691 5388734.7983 8395065.2951 6421563.1207 3394312.4648 2422307.3642 6213943.2146 16333328.5401 13910361.9292 3021988.0560 5581268.5807 9718091.4221 6080888.8933 10654608.7699 4827451.6541 9975261.4328 4862722.9791 5596564.0109 5711309.8396 4782464.3260 1529801.1108 8094537.7201 6627400.1065 2345256.8876 8470496.9653 8657304.5635 6661519.0622 6754261.6642 3836195.4199 6326059.9659 3091835.7465 3903622.4803 6897933.6788 6281165.4080 8812330.5489 3469274.6492 2625224.0720 5378444.1496 4129009.8027 6247417.7430 6894732.6827 2407492.9070 4516620.2989 3278172.9587 4454622.7647 6612747.2377 6223987.5349 5283991.1415 5336696.6656 5117955.2957 5766612.1253 7291979.3386 5836059.5260 3844685.2813 6911528.8102 8754136.5579 6598938.0114 6253173.9007 5492282.5172 5318571.0812 6625667.1672 14214837.0112 8049413.8768 6284375.2429 5435319.8392 6232589.0933 4785698.8900 7219397.1430 7046535.4200 11174457.4040 4950882.7037 4189854.1219 4132338.8437 4473940.7483 3778852.9285 3737574.9560 5964092.2492 6890677.5749 5494548.0060 8546878.5868 6171825.7010 5702951.2509 2194.9828 5933968.0228 920.3631 6364036.5976 4223616.6237 868683.7073 6188186.8734 4273215.5850 3639672.3921 3592512.6118 2134277.7622 4024530.8492 4209030.9775 6986770.5689 4015084.5519 8159022.6370 9784987.3765 4523490.2535 3958622.9377 2546621.7234 5926541.4664 4565011.6918 2767224.9991 6500424.1520 1746320.2468 1928.9311 7907780.6289 2861985.9997 5334077.8763 6353182.3832 4621662.9051 3688855.7500 5525351.6926 7185755.3303 1760306.7531 4111413.8546 3891595.3647 2159526.6166 2721975.0829 1259.4236 6377718.2973 4338422.8086 6549665.3413 4352137.6729 1587.4080 4179612.0882 4032879.0089 3894812.0746 6728662.7105 1365461.6883 12532286.6298 4207614.8778 6056148.3529 10015364.3412 10634692.9211 9879231.8078 4518452.4774 3027450.4015 2362048.2087 6817729.1673 6310342.6888 5988098.9759 9208685.3109 571012.5527 1026257.6358 6953105.3883 938865.3464 6157761.8775 7545531.9410 7004745.6923 4146337.6360 3158608.4509 5744317.9880 7655534.8478 6929838.8672 1733979.6812 3234072.2395 788072.5307 4153536.3539 6660170.8385 2853963.7113 6431051.0859 4606786.3591 4201803.6816 5870547.3016 6140787.2531 5641263.9011 10958866.6590 9034450.6337 8703937.9135 7955964.9795 7465389.6276 4644707.5028 7539399.1058 7524746.7811 3951220.3863 9072885.0395 9041144.9193 5922204.4668 7250782.7435 4196817.0928 13340629.8654 1515023.6561 6368357.2449 10691478.9600 8399870.4838 4849517.1409 9201577.0457 4649994.1847 8440554.1981 10695162.9580 3854088.7689 8063884.5003 9543933.5249 2981800.5953 4798335.3282 3871219.8775 5466578.8400 5322438.8261 5558410.7004 4005933.1130 9307096.9292 2116445.2193 7530091.4930 4176683.7543 5681972.6013 6654723.9167 4495538.1543 11177524.0358 4582020.1264 4483894.0323 3962070.7772 3000513.2911 5323732.0151 7385909.3549 6191898.8279 3786637.0026 2713192.1022 5300659.3754 6817661.9320 4761887.3975 8776115.3011 6882578.3012 4916463.9410 5748556.4228 3459854.6246 1425678.4179 4856627.9223 3431355.4362 4007036.7390 602285.1778 7634232.7565 2536571.4859 6841472.9533 3729654.4758 3696930.7282 7260625.0693 1251469.3696 2991875.4292 5518971.5335 10859856.6219 8109616.0503 12448883.7904 8294754.8327 6633056.0589 4721756.7778 4286875.9032 9939925.9183 3938175.2939 2596230.4490 6751022.8836 6120066.2730 4227985.2870 3968489.4827 8058782.6775 5544384.9909 5134771.2850 4446832.4256 6349385.4702 5340243.9765 7024487.1990 5387726.5009 1372156.0614 7761966.1139 2570749.6898 6666205.4963 4449428.6440 7247872.8301 5850631.9226 7230959.9338 2831662.1159 3254527.1183 5024358.4438 5508001.7514 4143821.0971 9506064.3631 7206212.4964 5018552.7127 6398264.6900 3030285.1459 3646668.6423 6893941.9828 9826808.8085 6260026.2266 11877109.1063 6209298.8511 6821146.6348 4262676.9395 7649876.8650 6247598.9682 6502027.9014 6791787.3182 6602134.0955 11612306.1229 7957029.9473 8094192.5110 4719256.4413 4115350.4875 3926463.9219 5524205.6676 20661582.1265 8420721.2414 6952497.4145 3207944.6965 5411959.0905 8391917.9035 8149919.3919 5813438.6320 4731605.6904 3710117.6411 5193280.5582 11740815.9716 5345647.3618 3533475.0852 4675261.8425 2078.7506 4960834.6885 3126336.5894 4204235.3387 3839373.9767 4977031.6150 2594316.6946 3441707.4877 4439951.2287 1345580.6661 2037608.3481 3598794.2886 4600064.1984 4923144.0370 4607434.8629 8647004.4408 6641568.1756 10502838.0071 3574576.7730 6371740.3882 4538970.2603 4953041.2654 5048403.0596 5700633.5586 2361295.0722 3357048.3128 5707529.4592 4705053.9706 3462544.2134 6076276.3587 4590944.7307 3828209.9287 2616313.1180 5164101.0673 7528615.3909 2086030.1671 6818760.8421 3614768.9931 6032237.1622 5431537.1166 12991682.0820 7084873.2316 5373779.3773 6586296.2221 4824932.9947 8631318.6303 2754335.5962 4892851.1239 4075766.8468 6275141.2157 10013532.7120 5159123.4700 845874.7594 4883352.8934 6824049.9403 4127161.0208 2965582.0704 5470125.1521 1586404.5950 6018937.7508 4411624.6328 10368088.5307 5427415.6697 3333413.8794 1484863.8514 4374706.3842 6437023.6090 5251756.4270 1711168.1621 6103279.0437 8529330.7396 6345142.9456 4822247.8425 5220498.3384 4341137.2369 7901688.3192 5955212.4132 6927222.9778 5796334.8773 7164562.9154 4300878.0471 8556633.6869 7726243.4303 8314818.2598 5757130.3469 6217355.9951 5389883.2047 1485816.5717 4397913.5498 8148263.1377 5158212.8964 5089894.9120 8697532.2087 5295671.8997 5201391.7729 3184001.7316 7918773.1368 7955007.2447 6287250.5325 8505245.3764 10788888.1233 4525955.2877 5649107.4475 1323501.6346 6430114.8183 8504524.3437 Uridine 363616.7516 418408.3631 422140.4254 360606.0211 369479.4236 260855.9203 373182.6410 547503.0541 568109.4375 284275.0603 380105.4067 268992.2629 606920.6151 356486.5967 396125.5404 620625.3721 366622.7256 247404.8052 454210.3944 714952.3614 287466.2752 395719.4679 339079.2450 314040.7288 372207.8042 507954.1247 226395.3271 344769.9097 244302.3952 286815.2365 325461.0031 729524.9296 292207.7564 440397.5501 755141.1174 380911.7920 356929.0497 240111.7729 515325.6940 584358.0101 300031.3252 336670.1476 313678.7795 275853.7683 337532.4228 285311.8543 205704.5483 329926.8885 414574.8257 351936.8574 375540.9089 215592.6683 513240.5937 216270.3547 364687.0989 213904.7836 292791.8679 333880.8353 209550.2911 484693.5286 362128.9788 204534.3567 378707.4533 308052.0824 517988.1530 384274.7946 445218.1896 421849.6621 312653.8574 265051.5863 324486.7932 464553.3560 336632.7080 257241.6721 244042.6278 221407.5100 499089.1429 436162.5800 888076.3768 854596.3171 693661.9142 613517.7540 835412.9552 914630.7446 758437.4908 774654.3013 882522.7627 441133.9804 611424.8096 1006094.3015 759153.0204 443265.4892 703624.5893 1587939.5353 653717.1195 406670.6492 1042289.9938 729666.6285 708408.6973 389977.5423 437522.4138 706913.8272 791614.9385 555061.0858 671371.8692 497260.9924 711850.7209 677203.8881 331574.6749 491969.2617 794052.7076 801437.0681 489390.9159 591432.4374 99925.0963 278304.6138 349110.0497 302830.5427 238633.3249 336167.0480 403247.9745 593251.7445 606133.6396 193733.9772 156809.4485 223067.0121 151249.1651 428404.6590 202647.4659 425053.2543 195439.1109 469799.6018 283749.3429 511477.5870 559210.4876 682774.2274 248431.6986 429211.1574 289694.7642 176197.6472 795851.0672 205241.7283 339071.0044 360220.5507 232177.7475 334834.6948 1002586.0593 513678.6753 240682.7445 324877.3863 402958.6059 269373.8176 261035.1927 312024.0605 301628.3038 532259.6967 346841.9102 255051.4072 209907.4334 364262.6817 317038.0524 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354428.0384 176231.7570 148338.8771 460102.2455 489738.9796 277596.4676 406298.0826 317147.5619 617785.4245 280786.8804 450392.4815 393721.3401 537735.5134 429667.3716 326012.8162 481393.3405 286279.9947 475099.2186 250297.5644 344122.0031 278523.4522 218865.4834 626714.4733 358849.8616 336044.8097 269819.1771 206435.2073 148196.0277 224923.1779 402476.6887 258770.4565 494049.2507 707968.7118 269793.4356 318049.9620 363727.5942 209613.9178 325958.9953 368034.0242 159030.2889 285739.9754 438587.9013 252826.4292 121034.7997 171762.2784 249026.2123 369776.4595 264240.3278 646170.6457 359654.4377 491238.5502 357589.6054 258662.3624 258426.6309 328334.3536 263009.3937 592801.1403 284114.6555 368903.4538 216708.5930 249380.4051 319524.5392 178377.7440 340747.1634 248121.0538 424350.7491 907416.0102 584374.5525 590437.9763 873209.4372 358347.3415 502395.1671 474442.5573 509574.8389 885926.5056 419403.8760 539363.0704 416359.6148 455679.2776 498452.5426 658671.8979 639485.7388 547451.4993 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262277.1672 2792.7654 80775.1670 3641.2875 459038.6367 225118.8634 216.6503 308117.1139 147081.3353 105602.8502 141446.1407 1848.9190 180760.0346 246675.2945 402377.9880 507358.3678 379.6200 2926.8254 592567.3913 2673.5202 944.9649 472.1385 3319.7393 483776.7538 660392.4243 1361.4348 6615.6341 408824.3187 458882.7161 3054.9382 1128.3167 494159.3954 933.5759 445269.7953 580.1446 437737.5765 27392.0439 457980.1434 586.3881 422416.2756 547583.9035 1198.8581 100729.8311 327089.6679 1927.0395 3938.6619 63932.4559 47352.3135 564985.1239 27088.9849 131727.6419 270778.2343 477804.3265 3110.2523 430842.8467 8.9944 2674.4156 493283.9267 447287.9125 2471.3583 358690.0158 443719.9674 19411.0163 281.6347 188628.5676 156242.1080 1395.7218 316.9226 2095.8009 492174.8113 593515.8118 1884.4760 109003.6411 412797.6332 364531.7702 444047.0161 1567.1282 478450.5684 1863.0186 376336.7397 1531.6950 224845.8353 273607.8575 448117.6791 1693.6351 2791.2837 2287.0874 662666.5830 48738.9622 2482.1324 244204.8045 434280.9218 41694.7851 295146.9274 3627.3193 2285.9247 424762.1182 154698.1754 508520.1003 3252.1989 350508.7427 177730.0738 539483.7067 34090.2968 204129.3867 330113.0732 441280.4611 1526.9660 1614.9810 200796.3744 344284.8149 364783.2590 20282.9738 424056.6742 2687.2002 406802.0089 1208.8532 60784.2415 124573.1380 169766.3889 61913.4326 485549.9233 26279.9079 32596.3572 15594.5923 3229.4319 636151.1777 16013.3925 3594.0602 311586.7144 476424.9250 13137.5038 468564.9495 3939.0051 60.2369 271099.1207 327.8559 203892.5821 242182.2669 419245.1505 512201.0384 3332.2167 366543.0626 340626.3015 2659.1512 388882.2191 1300.3481 411576.9724 34160.3915 3890.1399 2834.7726 307293.3109 3285.7750 374510.1188 453525.1779 505795.8854 155404.0601 305.7998 66837.5100 454335.0480 417859.5085 702881.4425 377937.6659 496596.0618 61003.9813 3137.9433 464024.5915 2309.6747 212460.3712 347844.3151 3201.8692 199641.6699 2544.8073 14586.1029 3789.0812 3430.8247 308288.5992 460392.3051 475682.3693 1876.3854 596.7098 417241.7343 463116.5199 3162.3904 469473.0211 3666.8976 218325.0734 1938.8558 1572.0902 491671.6740 149377.5316 395596.5654 360822.6230 346658.6376 2479.2288 455.6814 322788.9015 166405.3333 1986.6115 212289.3220 343074.1697 81137.9064 935.4169 358886.6722 2600.9936 415896.7963 2166.9991 2780.3877 501898.4176 12851.7539 865828.9491 508940.3383 362965.3072 2960.6282 33.0699 124510.0515 1113.1149 399542.1524 70697.1251 776.9753 3734.7984 391156.5510 350169.7226 2851.2136 420.3901 451114.0992 358152.8305 855808.2766 52218.0146 60499.0752 3983.1988 332845.0188 276701.2947 302482.5365 504750.8529 36616.4317 342886.5563 438682.7960 2721.2231 Xanthine 618384.8118 573038.6026 593266.4100 669868.8438 464975.3480 391341.3377 699926.5297 771295.9884 1047583.0405 609019.0442 658087.0613 382250.1543 1329958.5896 864944.9547 568766.0659 629036.6688 1133803.3147 518274.2128 655859.2307 1604233.7194 748875.7790 642192.4116 2518667.7286 498448.2614 684198.5741 1184269.8806 140832.4156 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825686.8175 933901.0576 557865.2415 1436375.6575 2016857.0304 933835.6228 1030512.0210 555893.5711 838957.0338 1611944.2854 536833.9231 657543.5747 349220.9435 809357.5917 482862.3762 916830.2621 375930.6986 747888.4209 376815.9677 864453.1204 660688.3951 592648.9187 929684.9396 1514351.0263 2668407.3652 804654.4739 411942.0842 854288.6579 607686.0086 792274.0170 539400.4413 601108.4921 532259.8881 1555715.9878 446157.6770 563159.6206 648426.1975 633025.9358 1142609.4603 433221.6277 850609.6957 620452.5074 647430.9202 822081.6753 508234.2952 761247.1200 699511.8373 768232.6144 580934.4547 710842.6555 820610.9019 488688.7105 1131749.7342 723601.3008 867257.2790 277554.9021 389534.8683 864964.3133 1433461.1981 627298.5384 926491.4320 669828.8091 1002712.3627 1326989.0842 743988.1735 922610.0503 853393.3593 712642.6447 710573.2930 840116.6334 920616.6814 1205828.5410 649271.6441 997827.9902 772707.0855 362639.1525 551496.8702 710876.6637 853205.7666 537299.4769 826829.7229 539652.0679 749982.2650 889952.5622 544310.4227 1186768.6954 1577359.3614 613394.1104 361862.1505 768659.2669 889116.0928 753541.4827 573893.8185 406872.7078 634525.7920 747424.9605 591057.4045 505580.2652 2772.1043 735395.6904 784599.2878 589161.9089 995840.5142 1780723.6579 3001.7462 2407007.1980 696826.8126 1206356.9800 592328.9354 520190.3071 934568.6074 1642100.7047 1785564.8570 932324.1990 947386.1161 658561.8540 1200677.6293 833388.0886 664064.0369 704600.6677 795902.8140 2427476.3663 560460.3244 796359.7637 562441.3455 591047.1843 1055254.5409 1031931.9353 807501.6353 716635.4470 653805.9537 436938.5964 868171.3444 549966.4233 648475.6172 840767.4127 712115.6472 543643.6875 904709.1026 724661.0777 1593768.5221 1025843.7265 708063.1483 703181.1704 1435016.4850 997033.9054 1297742.7788 672314.3326 553259.9378 1088998.5742 1140715.2081 550472.5744 1390275.5488 637803.6659 516437.9891 716018.3402 989637.3670 601585.5980 878538.6321 1413646.6477 1032747.1561 374179.3411 640559.6926 873365.0057 997510.0689 340164.7943 926193.4101 402886.7517 641113.6698 256954.1900 201688.7308 976657.3272 819916.8811 1055952.3104 2481279.8727 336540.4299 644328.9594 1227763.1438 609604.7365 819870.7665 550254.4234 817937.5799 643749.2583 1890598.8538 443585.5013 618600.1419 876030.8437 1065235.4738 1103518.7410 559071.5775 607428.3024 893516.8832 852963.7912 894151.7907 789245.6713 726213.5692 290333.3694 765457.7549 811762.7191 5163491.4064 480443.8466 920984.4479 275546.1292 557245.4128 1640932.7406 1153737.1886 704434.3609 1159014.6988 804334.8741 800348.2146 1057674.7021 3071210.4007 591010.7720 651785.9913 742699.5638 765845.3055 380822.6228 341104.0809 2092855.8938 812928.8184 627507.8985 672200.5258 854790.6450 1134890.5014 859613.1520 872884.0965 1359335.0294 1186425.3898 667756.7868 808476.3851 1679867.5743 1052942.4264 527621.7273 726560.4602 914774.0701 466341.5174 4750712.2750 732796.8866 474613.8113 668498.8429 544247.2711 800297.7346 544817.8976 1087805.7547 975868.1817 415491.8422 1440836.4801 368917.2486 2552973.8776 634880.3543 522779.8962 800755.8037 1204210.0288 1413762.6867 1078851.4915 1428063.2818 686066.0757 1049014.3195 579731.9053 1292130.5235 785901.5011 945563.8712 660911.5926 753397.2596 786369.3806 α-aminobutyric acid 536481.1723 305775.6072 285870.2859 446421.6203 152193.8278 153826.8995 624777.3117 224152.2082 1254831.8948 347367.2658 478989.7308 303314.9731 506423.7212 298666.2844 404290.4243 336034.0869 421863.2896 276426.6795 163366.3685 368991.3044 376420.7623 273680.8521 1073837.3547 252472.8751 388937.0054 374873.9401 109126.0063 692388.7759 269091.5523 286596.5897 190091.0513 308736.6872 344315.6003 297195.3258 206079.7853 150426.9644 264620.4295 239946.2466 448308.9267 408301.7413 186393.6606 651902.6482 286189.4543 205110.1642 475160.8940 138319.6608 679800.8785 167628.5019 888127.3492 205878.9374 724929.6495 213155.5828 244984.2264 429219.2244 306331.0501 514629.4400 256280.1818 215822.9568 181470.4872 348410.1132 258632.7389 910903.3752 233183.9070 380475.9847 619730.1179 288422.1210 325495.9137 196664.7290 173634.7617 246002.7327 247761.9876 217331.8739 227180.7280 248409.5255 235936.3878 122963.4282 565152.3070 316078.3695 223270.0120 576160.1203 353991.4801 219436.7859 1605480.9652 280866.9970 1462273.4384 358539.3996 873642.5538 276981.4917 499357.0586 362347.5513 353385.9181 288609.4898 428910.5991 431501.3768 171791.5517 278535.1588 375174.4068 338395.6867 552304.7617 188678.7300 382574.7168 236077.6256 304936.4995 673124.0393 379753.6550 361764.1494 261879.2124 190129.4705 143349.1965 304817.5659 293773.0609 166213.2429 181479.8281 337273.1366 182148.4074 569926.4491 1324384.6778 669236.4684 637393.0437 272522.4870 396963.1616 381066.9576 461355.7138 148914.8908 150290.4697 349994.8095 108012.2406 327642.1560 97245.2369 380488.9683 367556.4472 358594.6445 60342.4607 259295.0556 406032.7260 507485.5845 195436.8299 344524.0621 547435.6597 314480.7867 466926.3211 225603.3652 259632.7045 251014.2499 259201.1344 349306.1299 453769.1560 283598.3338 187791.4645 248145.1330 867052.7581 440523.2181 745012.1253 144055.5911 632658.4092 1536655.6468 552485.2042 817553.8187 108988.1211 369581.5735 237454.0564 375324.4832 203235.1654 136858.2118 207236.2062 169285.4795 165534.9837 156233.4360 349488.9299 206445.4955 285344.6100 49618.9040 203565.4713 289534.7942 429835.0032 174344.9417 318782.4504 644043.1266 330081.9013 242175.0616 147972.5601 254788.5625 375758.3078 247698.3423 185065.6081 108140.8396 261785.7011 257791.0650 292352.1926 175028.4932 385803.0483 884965.7018 167084.1656 1515331.4511 1924165.0048 723336.2835 1232647.6339 274171.2010 585526.6198 1359005.2079 292444.0463 179940.5352 265132.7413 225483.0163 244053.1661 319664.6376 260975.0790 301350.7428 125029.9872 405380.8725 288393.9673 134216.5141 329890.1099 1136310.7793 417276.0245 305782.7593 1310603.2350 355497.6015 269764.0051 351411.0172 249704.2429 313970.1217 344276.8620 314942.7932 164108.4981 329693.1516 310330.1010 267199.4927 514888.1303 481622.9760 1383193.5329 288525.1160 114294.5003 1043998.1834 134786.1915 304101.9777 476492.1666 188568.0502 238671.1398 310485.9608 296387.1841 135798.2037 197186.1753 85968.6825 277309.6725 266934.7461 260292.3935 355646.3165 432237.8472 261269.3411 264713.0381 286891.7480 1153279.7587 312236.7383 722540.4070 342037.7008 202123.4873 262692.7787 209914.5908 721565.0352 196930.5192 770625.1818 774373.1966 454114.5896 189489.7253 438491.2686 257471.3192 315223.4012 298349.8903 73865.9655 222946.7101 319831.6895 220861.3859 296953.4720 225087.8950 234118.8177 497936.2345 297310.7791 214196.7857 556520.4062 132905.3927 319482.2132 360985.9871 164492.3926 316436.3560 295894.6975 203225.0784 120464.3626 315693.6232 45796.6090 352571.1546 266323.4189 1086766.3030 300429.1575 684787.6969 380872.6547 229495.2728 262901.5128 568880.7715 179040.7299 512800.6694 1243103.5115 414039.1742 250334.0628 391266.4123 278930.2354 244919.4189 295152.1710 190686.9414 328422.5105 240366.8718 812300.2141 196913.4788 422455.1714 355631.2210 243387.4472 385114.0953 329354.1045 281116.9640 197869.0472 339213.8974 70706.5094 276502.8177 313537.2765 388456.0236 282903.2893 436136.1835 245058.1394 204252.2463 294094.5668 1381006.0602 390391.6611 616635.2957 481220.0266 458607.4232 461833.3565 387268.5110 767080.3967 264384.6506 624762.3122 2039709.1116 458858.8714 530035.1671 654849.2986 368861.1581 256981.1450 338090.0959 269982.3829 553084.0055 720616.0205 230277.1749 284441.4931 277110.3449 278786.6258 404808.1474 95931.1894 414000.9009 244794.8571 243294.0738 202476.8144 78241.3948 352706.5664 295736.5769 331840.1590 1062783.2868 352643.4599 148199.6992 274192.2155 574212.1978 188730.8203 311480.1307 324799.3694 1034337.0053 541872.6284 136962.6408 267729.4267 275966.9696 427146.4465 336176.4623 210175.5192 131576.2819 212470.3085 279293.8481 139037.0643 269939.5215 266424.6228 66745.8055 397972.0084 255493.2092 842945.6876 565358.7553 186027.4440 145352.4777 297524.2033 331742.2002 254313.7751 268850.8781 313035.7377 281177.0280 117769.8213 395546.0194 854693.2158 261735.6170 474469.5346 342983.6111 274107.8927 164527.5263 162752.0391 341275.5382 290728.5551 307494.1955 164457.2850 990967.0597 783517.0933 316960.7106 321675.1763 210134.1079 307224.1147 208912.9277 343515.9588 1019772.6753 322484.8680 714119.4005 349799.7645 281507.5932 291560.1688 448837.7425 465287.6921 274268.6392 338108.9672 100193.7702 341706.4302 299851.7838 445025.0606 702523.7058 477566.3744 245126.2565 223174.8474 357169.4396 537464.9072 244682.4561 357886.2048 374944.4854 1576336.8124 959831.5108 302968.0145 343819.9070 378484.8395 302394.0703 340349.8855 296145.7316 443636.0676 239731.4347 291898.1064 274803.9144 γ-Aminobutyric acid (GABA) 87141.0702 63746.7059 141305.9317 34236.8041 85314.6763 38343.0380 31431.1874 137817.2354 65053.0180 137524.7644 24161.0840 98712.1157 74734.0446 43611.8877 62830.4439 43085.0681 121161.8655 94184.5302 77897.6597 193236.1340 22853.7791 65757.0420 76801.4607 60891.0841 61246.3619 36106.0174 110355.1314 14884.8490 76530.4025 38690.2640 107673.5735 16022.5013 98332.6359 40463.9883 124900.1026 80959.9506 6729.2760 104870.9756 35271.5798 52189.3919 113380.7430 215724.1467 45441.0523 85692.7903 36449.8726 73380.6873 21799.0136 16776.7994 63243.3496 136637.6078 50496.4613 61055.3052 104018.8895 50246.1419 60185.1557 127570.1589 13861.5245 20572.4513 108319.5078 39429.0535 108680.5707 115130.8235 57124.3271 94942.8605 73372.6765 55009.6752 68665.0988 15123.3757 123332.9793 35647.3830 87366.4394 19462.9278 123945.5456 53147.7848 151701.6287 44032.4491 76786.5893 71577.1583 104782.8568 80107.3799 112234.3812 138538.1913 57748.0035 278236.2849 21951.9451 67847.6239 62776.2861 69265.2095 45230.4733 24972.2312 61527.8622 86174.7537 84017.5965 112471.5494 66378.5089 104110.8011 112637.0414 64061.2264 72342.2698 38549.5947 28758.6641 78960.2206 51612.5269 86426.5601 87560.2062 38657.9291 61287.6216 99164.2032 47704.8429 73598.3458 106899.0844 59128.5643 87980.1375 46481.9460 46377.1160 17060.7207 25495.8060 36688.8386 73813.5565 44767.6269 38106.7220 44871.4292 24402.8822 82363.8961 65503.3073 43477.9829 41209.0309 85633.8004 135023.4970 25257.8229 113530.2649 60766.4151 33441.5145 112920.9213 44911.2964 46540.4659 57997.1117 71277.4553 118131.2693 123129.7953 43023.2093 78194.8684 40085.8640 172238.4867 62532.5205 20228.7125 18020.9370 74134.2224 64859.6533 129553.2850 99825.1040 63810.3517 90395.4383 28421.4395 133319.2853 45930.6465 19235.8804 37710.0199 79777.4189 65967.9898 37373.8827 78259.4600 42083.7849 50381.3063 98662.3782 82584.2064 48974.4801 25484.6070 94150.1796 41533.2105 40566.3781 113591.8266 74578.1716 58517.5563 42889.3698 39593.9259 42974.6250 70936.3286 120989.9413 326955.3246 77751.5781 70664.0362 22172.0547 73847.9011 328051.6217 106034.4436 115986.7647 88490.7294 76345.6225 87577.1861 62823.9158 57693.4692 76936.7515 48607.3985 59448.6049 65630.0362 58303.1257 41742.0678 110511.0224 42870.0649 48133.7276 7882.0593 9842.9362 40428.0520 57962.2996 3448.2832 124318.3181 37636.5605 48572.1991 35108.3677 20570.8966 51765.8741 98599.6262 61399.9258 85246.9716 189663.8392 64722.3329 69923.4283 41492.2970 43535.9854 44725.4961 103937.9601 55432.2133 90868.1891 23329.8021 84341.9331 59390.4305 83512.7364 73782.8472 77408.9370 89943.2149 53977.0552 151740.7828 65621.4046 138731.4382 19314.2258 121828.0286 77805.4410 19321.2546 105991.0069 158538.1303 62646.2844 47198.2648 93622.0248 19847.0432 8273.7950 44212.0129 52630.4086 16015.6470 84876.9942 51499.6626 81409.4369 57019.5710 24351.9568 24228.0206 125152.9183 45718.8864 124364.5912 149025.3044 117046.6162 99098.9089 45023.3056 66048.9733 51962.7393 47704.3384 103752.1730 51863.7950 20484.4931 17232.1233 64387.9873 36992.2144 224220.2588 81601.1288 131121.7408 101213.9665 14728.5085 7436.4815 98570.0952 39650.5173 305931.2212 89643.4955 21414.8582 59050.0655 24322.4560 47062.6885 89364.2054 52713.7288 32622.2734 16603.7216 121021.7988 22061.8309 57478.8461 42265.9475 57377.2238 40163.2089 131486.8101 69173.7916 72796.2213 34303.9866 121283.8236 43667.4972 41432.9334 60629.4616 82753.6863 35072.1232 53757.0639 129505.8650 80990.2164 117782.9177 19221.9641 115552.3404 72770.9575 117062.1066 4474.2156 170722.6419 42594.1990 124440.8397 19478.4065 120582.5057 45975.6632 46619.4971 79778.9174 45048.6103 46305.4768 42405.0768 54656.9595 171799.7950 39974.2300 62470.8917 49566.2420 35679.6787 66290.1575 56555.8351 54952.2422 55435.2132 55570.1541 77122.9856 137989.8359 44421.3905 47828.9871 17351.6294 94199.7379 46753.0745 50488.7478 12730.8037 121585.9395 77830.4476 45285.9786 37333.5695 23770.4912 69433.3318 70282.6577 15652.8453 118477.4013 46954.3396 117359.7912 34885.1357 2546.2835 46595.0291 60632.7812 39857.4229 53650.5565 28877.3730 12401.0018 20380.1910 56644.4127 60229.9544 87470.3982 46000.4683 51148.3180 54412.4062 23081.1873 66820.1611 123120.5280 40149.2589 53311.0675 45229.2195 45055.3318 14327.3459 28932.1962 45058.1756 54841.1931 71149.4047 151949.7353 48116.6412 101134.6920 56347.5714 16353.7259 113396.9129 44807.8511 97759.3208 48259.6275 53888.4614 45211.2328 57482.8936 68905.4853 48329.9167 3601.6233 43767.5164 36802.2691 60961.4155 42043.3419 39771.2800 176806.4922 24903.9974 118906.3503 107466.2207 36322.2312 89304.3371 42022.0293 72964.0138 57277.3530 11393.1255 20464.4250 116271.7065 53508.6586 42726.3081 66021.1141 50383.8962 43220.3668 15499.0239 118425.8220 40734.5389 71442.6588 δ-Gluconolactone 95808.1755 176883.2971 114019.6468 116329.4983 123972.5426 173039.8135 47508.1862 180461.0439 180651.6579 223504.7582 37214.7458 109268.8282 117636.5713 190465.4273 166830.7183 147437.8360 230157.4915 158225.0684 232772.8679 306282.2500 125104.8903 131752.9598 160441.9448 130478.3903 172889.5200 159621.3542 129032.6464 11877.0465 135890.7093 136458.4227 64136.0513 72054.0824 163537.7873 121557.7903 133990.2098 131907.7478 141321.4698 112768.0271 118159.4005 230433.7420 155394.9613 97798.3591 123649.1072 115603.2531 116068.0837 123611.1066 49091.7924 151080.2414 170507.6187 179535.5473 115804.1580 122748.0547 151779.5958 167195.9531 146915.0068 172175.0467 107346.4873 208279.9877 148858.9834 227413.7891 336253.6130 150894.2127 130839.8263 140379.6417 30449.0887 183160.9953 163980.0720 65719.6576 77091.5399 200750.7068 121296.3757 142337.0637 152196.9771 162060.3066 172938.7773 275897.2876 95016.3724 123126.2779 114811.4499 115806.6691 124333.9786 146517.9078 104739.8035 170156.3255 212011.9893 207681.8505 103619.2137 108477.0251 117897.9859 169126.2301 141250.6730 147176.4214 176043.5413 107707.9233 116597.4007 147275.3772 126688.4965 212921.9527 162412.1443 130116.9543 140902.4709 175790.8043 128671.2104 12668.8496 135080.2977 136197.0081 64927.8545 161437.2408 187282.6676 121819.2049 109073.6349 184809.3225 142044.3418 192030.9651 131924.1342 173463.6184 210861.0242 86021.7642 83095.7877 171216.0261 171762.5920 208494.5867 138565.5430 177514.5197 103356.3527 148790.9671 250881.1025 152350.5557 139906.9827 262780.9416 142520.4616 124171.9364 45132.7769 145335.6223 152164.5493 165624.0287 125779.7225 148222.0798 315968.6539 430155.8774 225264.4925 180581.8846 143778.0316 416744.3121 165603.9938 145838.9275 149650.7865 150574.8112 272502.1437 181362.3518 77596.7041 136814.4735 230053.7600 207729.5672 154769.6605 274204.1137 86383.2002 33255.7303 238058.8941 202634.7191 198272.9978 139357.3461 146020.1376 122170.9149 86306.5382 140395.4723 122888.2346 32463.9272 300459.9303 133280.9141 123910.5218 45924.5800 135292.2010 151803.1134 163966.2582 192962.4775 147699.2506 246803.5715 383768.7195 190482.0210 465789.6882 143516.6170 421082.7161 183629.9266 138232.9471 151234.3927 151097.6405 222841.6054 117113.7421 162892.1920 135764.7847 160327.8855 131562.6982 161482.1179 148616.6429 85660.3283 75641.4254 228057.2414 120250.7173 53842.6110 140149.1492 145658.7016 98975.3879 87890.1444 137403.2274 187067.1773 100145.5163 235806.2070 131488.5092 124433.3510 97925.8744 134564.9986 151441.6774 444457.7487 229427.8548 147960.6652 249513.0826 281490.2626 156717.5579 147827.3175 143255.2024 416248.6539 197094.9618 136637.1492 150442.5896 150836.2259 150727.8516 116852.3275 121707.0041 83130.2764 152868.8728 149006.3236 212870.0769 169086.3206 188476.0224 167482.8378 146130.7630 244426.5070 141805.0252 141948.1294 153968.5647 149430.3415 189917.1884 49883.5955 98310.5877 133731.3141 195584.6110 144562.2754 138288.3249 139363.0647 102242.3521 128093.1554 125576.4895 133603.9296 294066.2625 186826.7302 177357.6895 88913.2521 74883.5267 192584.0028 156414.8229 119562.2686 106893.4189 179711.7096 143490.0857 321801.2219 138429.9819 155094.2769 139856.8125 307292.6094 99033.4597 134454.1861 170086.9541 144300.8608 152494.5370 77845.7344 192087.4952 148744.9090 180691.4565 190836.1912 135899.9301 159874.6705 145869.3484 205253.6569 266360.2086 141686.7148 150565.5983 158090.5147 76144.2749 51467.2017 138026.9103 127831.7408 178196.8070 151067.7452 134140.9806 184892.6239 88551.8161 108174.2680 206978.3109 244981.7252 121145.8748 196968.5413 197727.2726 143128.6497 280966.3735 138068.5460 222910.6854 140118.2271 391516.5943 149267.7382 145691.7710 170828.8628 187892.2362 148024.1213 146392.1776 145086.6224 126001.8386 141425.3001 163346.2012 109690.9997 67303.2638 117982.8240 158664.6126 155229.3197 273452.8958 144039.4462 137765.4957 157367.7878 119929.8222 127570.3262 213052.1708 141250.9917 160410.8431 201944.0691 182718.7003 146967.7103 123398.7316 152961.9064 172189.9882 120354.0717 105309.8127 173581.2800 191575.0404 225910.6325 137707.1100 197689.2082 139595.3979 94733.1366 134889.9351 230225.5390 317632.1525 125674.9916 130707.3014 149529.1528 79042.2110 293293.0192 151620.4697 131569.9461 128615.9846 162232.4737 129063.9058 134367.1059 191782.1400 129923.0576 117978.6624 155985.2113 134531.2943 118420.8151 85982.0787 138706.8796 132798.6183 145607.9338 139209.9917 389267.5035 58593.4296 178162.6216 240441.9283 106800.7567 197938.9012 126141.1585 28504.9117 162484.0317 133582.8621 88681.9475 603483.7336 167153.9690 128272.1027 222856.6017 139072.5687 157826.0810 155193.4082 164453.2407 134376.7071 132537.2037 145346.5192 60177.0358 142732.3732 125479.0094 244940.7135 90265.5538 175206.6982 191425.4667 119466.4735 130125.4817 130445.8868 149790.5674 112701.7017 228964.0223 129400.2284 118682.2297 99830.9477 131533.0103 173753.0948 284370.2205 107869.9210 216701.0624 143936.3696 174287.1644 153363.7567 135412.7643 190674.1616 119727.8881 140410.0722 130968.7160 150051.9820 90733.3171 352875.9646 151359.0551 146326.8731 128877.3992 127480.2996 134628.5205 238109.0960 129661.6430 130352.1876 156777.0144 149745.6511 156844.8609 118943.6443 133976.4496 182382.3892 132275.7890 145085.1046 547969.5193 266117.5559 59385.2327 142470.9586 124956.1802 203686.6512 203708.6051 126502.5945 163159.1187 146052.8073 133060.0329 128395.2920 MS_METABOLITE_DATA_END #METABOLITES METABOLITES_START metabolite_name pubchem_id inchi_key kegg_id other_id other_id_type ri ri_type moverz_quant (±)11-HETE 9.682 (±)12(13)-DiHOME 10.099 16-Hydroxyhexadecanoic acid 10.865 1,7-Dimethyluric acid 6.188 2-Cyclopentylphenol 7.664 2-Ethylhydracrylic acid 5.84 2-Furoic acid 2.308 2-Methylbutyrylglycine 6.25 2-oxoglutaric acid 1.76 2-Phenyl-5-(trifluoromethyl)-2,3-dihydro-1H-pyrazol-3-one 7.537 (2R)-7-Methoxy-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-2-yl β-D-glucopyranoside 5.37 (2xi)-D-gluco-heptonic acid 1.206 3-Methyl-2-oxovaleric acid 5.95 3-phenyllactic acid 7.01 4-Hydroxy-5-(3-methoxyphenyl)pentanoic acid 7.489 4-Hydroxyhippuric acid 5.79 4-Hydroxyproline 1.276 4-Methyl-2-oxovaleric acid (ketoleucine) 6.23 4-tert-Amylphenol 7.757 5-Methoxysalicylic acid 6.824 Acesulfame 4.882 Allantoin 1.45 Arginine 1.27 Asparagine 1.19 Aspartic acid 1.22 Beta-alanine 1.555 camalexin 1.205 cis-Aconitic acid 1.55 Citric acid 2.27 Citrulline 1.35 Creatine 1.59 Cystine 1.201 Deoxy-hexose2 1.59 deoxyxylulose monophosphate 1.46 Dodecanedioic acid 7.87 Galactonic acid 1.24 g-Butyrobetaine 2.4 Glucuronic acid 1.252 Glutamic acid 1.26 Glyceric acid 1.44 Glycochenodeoxycholic acid 8.53 Glycocholic acid 8.17 Glycolic acid 1.46 Glycoursodeoxycholic acid/GUDCA 7.89 Hexadecanedioic acid 8.95 Hexose1 1.25 Histidine 1.24 Homocitrulline 1.61 Hydroxybutyric acid 4.4 Hydroxyisocaproic acid 6.9 Hydroxynorleucine 1.46 Hypoxanthine 4.1 Isocitric acid 1.62 Lactic acid 2.17 L-(+)-Erythrulose 1.98 Linolenic acid 11.8 Lysine 1.16 Malic acid 1.68 Methionine sulfoxide 1.38 Miglitol 1.459 Mimosine 4.985 N1-[4-(acetylamino)phenyl]-2,2-dimethylcyclopropane-1-carboxamide 7.073 N-[(2S)-2-Hydroxypropanoyl]valine 2.401 N-Acetyl-alanine 3.95 N-Acetylaspartic acid 2.12 N-Acetylornithine 1.68 N-Acetyl-phenylalanine 6.92 N-Acetylvaline 5.655 Naringenin 7.48 N-formylmethionine 5.88 N-Iso-Valerylglycine 6.34 NP-021797 8.232 Ornithine 1.1 Orotidine 1.499 Phenylalanine 5.47 Pyruvic acid 1.55 Quinic acid 1.48 Ribulose-5-phosphate 1.21 Saccharine 5.69 Sarcosine 1.25 Serine 1.21 Sorbitol/Manitol 1.31 Succinic acid 4 Taurine 1.19 Taurochenodeoxycholate 8.19 Taurocholic acid 7.92 Taurodeoxycholic acid 8.25 Tetradecanedioic acid 8.27 Threonic acid 1.35 Torsemide 7.355 Traumatic Acid 7.74 Tryptophan 6.25 Uridine 4.5 vanillic acid 6.79 Xanthine 4.5 α-aminobutyric acid 1.38 γ-Aminobutyric acid (GABA) 1.558 δ-Gluconolactone 1.35 METABOLITES_END #END