#METABOLOMICS WORKBENCH nalipan1_20251013_150847 DATATRACK_ID:6560 STUDY_ID:ST004297 ANALYSIS_ID:AN007146 PROJECT_ID:PR002713 VERSION 1 CREATED_ON October 16, 2025, 11:13 am #PROJECT PR:PROJECT_TITLE ROSE longitudinal metabolomic analyses in ARDS inflammatory phenotypes PR:PROJECT_TYPE Untargeted MS PR:PROJECT_SUMMARY Critically ill patients with acute respiratory distress syndrome (ARDS) and PR:PROJECT_SUMMARY sepsis exhibit distinct inflammatory phenotypes with divergent clinical outcomes PR:PROJECT_SUMMARY and apparent heterogeneity of treatment effects, but the underlying molecular PR:PROJECT_SUMMARY mechanisms remain poorly understood. These phenotypes, derived from clinical PR:PROJECT_SUMMARY data and protein biomarkers, were associated with metabolic differences in a PR:PROJECT_SUMMARY prior pilot study. This study investigated the metabolomic and transcriptomic PR:PROJECT_SUMMARY differences between Hyperinflammatory and Hypoinflammatory phenotypes through PR:PROJECT_SUMMARY integrative multi-omics analysis of blood samples from ARDS patients in the ROSE PR:PROJECT_SUMMARY trial. Multi-omics integration revealed three molecular signatures strongly PR:PROJECT_SUMMARY associated with the Hyperinflammatory phenotype and with mortality: enhanced PR:PROJECT_SUMMARY innate immune activation coupled with increased glycolysis, hepatic dysfunction PR:PROJECT_SUMMARY and immune dysfunction paired with impaired fatty acid beta-oxidation, and PR:PROJECT_SUMMARY interferon program suppression coupled with altered mitochondrial respiration. A PR:PROJECT_SUMMARY fourth molecular signature, not associated with inflammatory phenotype, PR:PROJECT_SUMMARY identified redox impairment and cell proliferation pathways associated with PR:PROJECT_SUMMARY mortality. Integrated multi-omics analysis within each inflammatory phenotype PR:PROJECT_SUMMARY revealed distinct pathways associated with mortality. All mortality-associated PR:PROJECT_SUMMARY molecular signatures including those within phenotypes were validated in an PR:PROJECT_SUMMARY independent cohort of critically ill patients with sepsis (EARLI). These PR:PROJECT_SUMMARY findings reveal distinct molecular mechanisms underlying ARDS/sepsis phenotypes PR:PROJECT_SUMMARY and suggest potential therapeutic targets for precise treatment strategies in PR:PROJECT_SUMMARY critical illness. PR:INSTITUTE University of California, San Francisco PR:DEPARTMENT Medicine PR:LAST_NAME Alipanah-Lechner PR:FIRST_NAME Narges PR:ADDRESS 513 Parnassus Ave, HSE 716, San Francisco, CA 94143 PR:EMAIL narges.alipanah@ucsf.edu PR:PHONE 415-502-6373 PR:FUNDING_SOURCE NHLBI #STUDY ST:STUDY_TITLE ROSE longitudinal metabolomics analyses of ARDS inflammatory phenotypes ST:STUDY_SUMMARY This study investigated metabolic differences underlying inflammatory phenotypes ST:STUDY_SUMMARY in acute respiratory distress syndrome (ARDS). We performed untargeted plasma ST:STUDY_SUMMARY metabolomics on 160 patients from the ROSE trial (80 Hyperinflammatory, 80 ST:STUDY_SUMMARY Hypoinflammatory phenotypes) at enrollment (Day 0) and Day 2. Integrative ST:STUDY_SUMMARY multi-omics analysis with transcriptomics identified four mortality-associated ST:STUDY_SUMMARY molecular signatures involving altered glycolysis, impaired fatty acid ST:STUDY_SUMMARY beta-oxidation, mitochondrial respiration dysfunction, and redox impairment. ST:STUDY_SUMMARY These findings reveal distinct biological processes characterizing ARDS ST:STUDY_SUMMARY inflammatory phenotypes and identify potential therapeutic targets for precision ST:STUDY_SUMMARY medicine approaches in critical illness. ST:INSTITUTE University of California, San Francisco ST:DEPARTMENT Medicine ST:LAST_NAME Alipanah-Lechner ST:FIRST_NAME Narges ST:ADDRESS 513 Parnassus Ave, HSE 716, San Francisco, CA 94143 ST:EMAIL narges.alipanah@ucsf.edu ST:PHONE 415-502-6373 ST:NUM_GROUPS 2 ST:TOTAL_SUBJECTS 160 #SUBJECT SU:SUBJECT_TYPE Human SU:SUBJECT_SPECIES Homo sapiens SU:TAXONOMY_ID 9606 #SUBJECT_SAMPLE_FACTORS: SUBJECT(optional)[tab]SAMPLE[tab]FACTORS(NAME:VALUE pairs separated by |)[tab]Raw file names and additional sample data SUBJECT_SAMPLE_FACTORS R-0649 UCSF-10259 Timepoint:Day 2 | Sample source:plasma class=1 SUBJECT_SAMPLE_FACTORS R-0543 UCSF-10260 Timepoint:Day 2 | Sample source:plasma class=1 SUBJECT_SAMPLE_FACTORS R-0548 UCSF-10261 Timepoint:Day 2 | Sample source:plasma class=2 SUBJECT_SAMPLE_FACTORS R-0839 UCSF-10262 Timepoint:Day 2 | Sample source:plasma class=1 SUBJECT_SAMPLE_FACTORS R-0606 UCSF-10263 Timepoint:Day 2 | Sample source:plasma class=1 SUBJECT_SAMPLE_FACTORS R-0590 UCSF-10264 Timepoint:Day 2 | Sample source:plasma class=2 SUBJECT_SAMPLE_FACTORS R-1001 UCSF-10265 Timepoint:Day 2 | Sample source:plasma class=2 SUBJECT_SAMPLE_FACTORS R-0085 UCSF-10266 Timepoint:Day 2 | Sample source:plasma class=2 SUBJECT_SAMPLE_FACTORS R-0191 UCSF-10267 Timepoint:Day 2 | Sample source:plasma class=1 SUBJECT_SAMPLE_FACTORS R-0372 UCSF-10268 Timepoint:Day 2 | Sample source:plasma class=1 SUBJECT_SAMPLE_FACTORS R-0744 UCSF-10269 Timepoint:Day 2 | Sample source:plasma class=2 SUBJECT_SAMPLE_FACTORS R-0377 UCSF-10270 Timepoint:Day 2 | Sample source:plasma class=1 SUBJECT_SAMPLE_FACTORS R-0026 UCSF-10271 Timepoint:Day 2 | Sample source:plasma class=1 SUBJECT_SAMPLE_FACTORS R-0309 UCSF-10272 Timepoint:Day 2 | Sample source:plasma class=1 SUBJECT_SAMPLE_FACTORS R-0318 UCSF-10273 Timepoint:Day 2 | Sample source:plasma class=2 SUBJECT_SAMPLE_FACTORS R-0742 UCSF-10274 Timepoint:Day 2 | Sample source:plasma class=1 SUBJECT_SAMPLE_FACTORS R-0099 UCSF-10275 Timepoint:Day 2 | Sample 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UCSF-10332 Timepoint:Day 2 | Sample source:plasma class=1 SUBJECT_SAMPLE_FACTORS R-0705 UCSF-10333 Timepoint:Day 2 | Sample source:plasma class=1 SUBJECT_SAMPLE_FACTORS R-0248 UCSF-10334 Timepoint:Day 2 | Sample source:plasma class=2 SUBJECT_SAMPLE_FACTORS R-0035 UCSF-10335 Timepoint:Day 2 | Sample source:plasma class=1 SUBJECT_SAMPLE_FACTORS R-0842 UCSF-10336 Timepoint:Day 2 | Sample source:plasma class=1 SUBJECT_SAMPLE_FACTORS R-0198 UCSF-10337 Timepoint:Day 2 | Sample source:plasma class=2 SUBJECT_SAMPLE_FACTORS R-0736 UCSF-10338 Timepoint:Day 2 | Sample source:plasma class=2 SUBJECT_SAMPLE_FACTORS R-0779 UCSF-10339 Timepoint:Day 2 | Sample source:plasma class=1 SUBJECT_SAMPLE_FACTORS R-0624 UCSF-10340 Timepoint:Day 2 | Sample source:plasma class=1 SUBJECT_SAMPLE_FACTORS R-0287 UCSF-10341 Timepoint:Day 2 | Sample source:plasma class=1 SUBJECT_SAMPLE_FACTORS R-0723 UCSF-10342 Timepoint:Day 0 | Sample source:plasma class=2 SUBJECT_SAMPLE_FACTORS R-0478 UCSF-10343 Timepoint:Day 2 | Sample source:plasma class=1 SUBJECT_SAMPLE_FACTORS R-1006 UCSF-10344 Timepoint:Day 2 | Sample source:plasma class=1 SUBJECT_SAMPLE_FACTORS R-0753 UCSF-10345 Timepoint:Day 2 | Sample source:plasma class=1 SUBJECT_SAMPLE_FACTORS R-0356 UCSF-10346 Timepoint:Day 2 | Sample source:plasma class=2 SUBJECT_SAMPLE_FACTORS R-0326 UCSF-10347 Timepoint:Day 2 | Sample source:plasma class=1 SUBJECT_SAMPLE_FACTORS R-0680 UCSF-10348 Timepoint:Day 2 | Sample source:plasma class=1 SUBJECT_SAMPLE_FACTORS R-0062 UCSF-10349 Timepoint:Day 2 | Sample source:plasma class=1 SUBJECT_SAMPLE_FACTORS R-0445 UCSF-10350 Timepoint:Day 2 | Sample source:plasma class=2 SUBJECT_SAMPLE_FACTORS R-0850 UCSF-10351 Timepoint:Day 2 | Sample source:plasma class=2 SUBJECT_SAMPLE_FACTORS R-0931 UCSF-10352 Timepoint:Day 2 | Sample source:plasma class=1 SUBJECT_SAMPLE_FACTORS R-0490 UCSF-10353 Timepoint:Day 2 | Sample source:plasma class=2 SUBJECT_SAMPLE_FACTORS R-0172 UCSF-10354 Timepoint:Day 2 | Sample source:plasma class=1 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Sample source:plasma class=1 SUBJECT_SAMPLE_FACTORS R-0758 UCSF-10378 Timepoint:Day 0 | Sample source:plasma class=1 SUBJECT_SAMPLE_FACTORS R-0326 UCSF-10379 Timepoint:Day 0 | Sample source:plasma class=1 SUBJECT_SAMPLE_FACTORS R-0543 UCSF-10380 Timepoint:Day 0 | Sample source:plasma class=1 SUBJECT_SAMPLE_FACTORS R-0290 UCSF-10381 Timepoint:Day 0 | Sample source:plasma class=2 SUBJECT_SAMPLE_FACTORS R-0142 UCSF-10382 Timepoint:Day 0 | Sample source:plasma class=1 SUBJECT_SAMPLE_FACTORS R-0383 UCSF-10383 Timepoint:Day 0 | Sample source:plasma class=1 SUBJECT_SAMPLE_FACTORS R-0797 UCSF-10384 Timepoint:Day 0 | Sample source:plasma class=1 SUBJECT_SAMPLE_FACTORS R-0062 UCSF-10385 Timepoint:Day 0 | Sample source:plasma class=1 SUBJECT_SAMPLE_FACTORS R-0662 UCSF-10386 Timepoint:Day 0 | Sample source:plasma class=1 SUBJECT_SAMPLE_FACTORS R-0668 UCSF-10387 Timepoint:Day 0 | Sample source:plasma class=1 SUBJECT_SAMPLE_FACTORS R-0717 UCSF-10388 Timepoint:Day 0 | Sample source:plasma class=2 SUBJECT_SAMPLE_FACTORS R-0433 UCSF-10389 Timepoint:Day 0 | Sample source:plasma class=2 SUBJECT_SAMPLE_FACTORS R-0751 UCSF-10390 Timepoint:Day 0 | Sample source:plasma class=1 SUBJECT_SAMPLE_FACTORS R-0789 UCSF-10391 Timepoint:Day 0 | Sample source:plasma class=1 SUBJECT_SAMPLE_FACTORS R-0167 UCSF-10392 Timepoint:Day 0 | Sample source:plasma class=1 SUBJECT_SAMPLE_FACTORS R-0705 UCSF-10393 Timepoint:Day 0 | Sample source:plasma class=1 SUBJECT_SAMPLE_FACTORS R-0294 UCSF-10394 Timepoint:Day 0 | Sample source:plasma class=1 SUBJECT_SAMPLE_FACTORS R-0155 UCSF-10395 Timepoint:Day 0 | Sample source:plasma class=2 SUBJECT_SAMPLE_FACTORS R-0843 UCSF-10396 Timepoint:Day 0 | Sample source:plasma class=2 SUBJECT_SAMPLE_FACTORS R-0581 UCSF-10397 Timepoint:Day 0 | Sample source:plasma class=1 SUBJECT_SAMPLE_FACTORS R-0683 UCSF-10398 Timepoint:Day 0 | Sample source:plasma class=2 SUBJECT_SAMPLE_FACTORS R-0024 UCSF-10399 Timepoint:Day 0 | Sample source:plasma class=2 SUBJECT_SAMPLE_FACTORS R-0203 UCSF-10400 Timepoint:Day 0 | Sample source:plasma class=1 SUBJECT_SAMPLE_FACTORS R-0262 UCSF-10401 Timepoint:Day 0 | Sample source:plasma class=2 SUBJECT_SAMPLE_FACTORS R-0867 UCSF-10402 Timepoint:Day 0 | Sample source:plasma class=2 SUBJECT_SAMPLE_FACTORS R-0584 UCSF-10403 Timepoint:Day 0 | Sample source:plasma class=2 SUBJECT_SAMPLE_FACTORS R-0091 UCSF-10404 Timepoint:Day 0 | Sample source:plasma class=1 SUBJECT_SAMPLE_FACTORS R-0076 UCSF-10405 Timepoint:Day 0 | Sample source:plasma class=2 SUBJECT_SAMPLE_FACTORS R-0377 UCSF-10406 Timepoint:Day 0 | Sample source:plasma class=1 SUBJECT_SAMPLE_FACTORS R-0122 UCSF-10407 Timepoint:Day 0 | Sample source:plasma class=2 SUBJECT_SAMPLE_FACTORS R-0299 UCSF-10408 Timepoint:Day 0 | Sample source:plasma class=2 SUBJECT_SAMPLE_FACTORS R-0551 UCSF-10409 Timepoint:Day 0 | Sample source:plasma class=2 SUBJECT_SAMPLE_FACTORS R-0191 UCSF-10410 Timepoint:Day 0 | Sample source:plasma class=1 SUBJECT_SAMPLE_FACTORS R-0649 UCSF-10411 Timepoint:Day 0 | Sample source:plasma class=1 SUBJECT_SAMPLE_FACTORS R-0839 UCSF-10412 Timepoint:Day 0 | Sample source:plasma class=1 SUBJECT_SAMPLE_FACTORS R-0287 UCSF-10413 Timepoint:Day 0 | Sample source:plasma class=1 SUBJECT_SAMPLE_FACTORS R-0633 UCSF-10414 Timepoint:Day 0 | Sample source:plasma class=2 SUBJECT_SAMPLE_FACTORS R-0393 UCSF-10415 Timepoint:Day 0 | Sample source:plasma class=2 SUBJECT_SAMPLE_FACTORS R-0475 UCSF-10416 Timepoint:Day 0 | Sample source:plasma class=1 SUBJECT_SAMPLE_FACTORS R-0293 UCSF-10417 Timepoint:Day 0 | Sample source:plasma class=1 SUBJECT_SAMPLE_FACTORS R-0624 UCSF-10418 Timepoint:Day 0 | Sample source:plasma class=1 SUBJECT_SAMPLE_FACTORS R-0680 UCSF-10419 Timepoint:Day 0 | Sample source:plasma class=1 SUBJECT_SAMPLE_FACTORS R-0437 UCSF-10420 Timepoint:Day 0 | Sample source:plasma class=2 SUBJECT_SAMPLE_FACTORS R-0164 UCSF-10421 Timepoint:Day 0 | Sample source:plasma class=1 SUBJECT_SAMPLE_FACTORS R-0348 UCSF-10422 Timepoint:Day 0 | Sample source:plasma class=2 SUBJECT_SAMPLE_FACTORS R-0564 UCSF-10423 Timepoint:Day 0 | Sample source:plasma class=2 SUBJECT_SAMPLE_FACTORS R-0248 UCSF-10424 Timepoint:Day 0 | Sample source:plasma class=2 SUBJECT_SAMPLE_FACTORS R-0547 UCSF-10425 Timepoint:Day 0 | Sample source:plasma class=2 SUBJECT_SAMPLE_FACTORS R-0615 UCSF-10426 Timepoint:Day 0 | Sample source:plasma class=1 SUBJECT_SAMPLE_FACTORS R-0231 UCSF-10427 Timepoint:Day 0 | Sample source:plasma class=2 SUBJECT_SAMPLE_FACTORS R-0599 UCSF-10428 Timepoint:Day 0 | Sample source:plasma class=1 SUBJECT_SAMPLE_FACTORS R-0642 UCSF-10429 Timepoint:Day 0 | Sample source:plasma class=1 SUBJECT_SAMPLE_FACTORS R-0099 UCSF-10430 Timepoint:Day 0 | Sample source:plasma class=2 SUBJECT_SAMPLE_FACTORS R-0736 UCSF-10431 Timepoint:Day 0 | Sample source:plasma class=2 SUBJECT_SAMPLE_FACTORS R-0832 UCSF-10432 Timepoint:Day 0 | Sample source:plasma class=1 SUBJECT_SAMPLE_FACTORS R-0103 UCSF-10433 Timepoint:Day 0 | Sample source:plasma class=1 SUBJECT_SAMPLE_FACTORS R-0825 UCSF-10434 Timepoint:Day 0 | Sample source:plasma class=2 SUBJECT_SAMPLE_FACTORS R-0752 UCSF-10435 Timepoint:Day 0 | Sample source:plasma class=2 SUBJECT_SAMPLE_FACTORS R-0977 UCSF-10436 Timepoint:Day 0 | Sample source:plasma class=2 SUBJECT_SAMPLE_FACTORS R-0356 UCSF-10437 Timepoint:Day 0 | Sample source:plasma class=2 SUBJECT_SAMPLE_FACTORS R-0883 UCSF-10438 Timepoint:Day 0 | Sample source:plasma class=2 SUBJECT_SAMPLE_FACTORS R-0882 UCSF-10439 Timepoint:Day 0 | Sample source:plasma class=1 SUBJECT_SAMPLE_FACTORS R-0082 UCSF-10440 Timepoint:Day 0 | Sample source:plasma class=2 SUBJECT_SAMPLE_FACTORS R-0172 UCSF-10441 Timepoint:Day 0 | Sample source:plasma class=1 SUBJECT_SAMPLE_FACTORS R-0622 UCSF-10442 Timepoint:Day 0 | Sample source:plasma class=2 SUBJECT_SAMPLE_FACTORS R-0681 UCSF-10443 Timepoint:Day 0 | Sample source:plasma class=1 SUBJECT_SAMPLE_FACTORS R-0872 UCSF-10444 Timepoint:Day 0 | Sample source:plasma class=1 SUBJECT_SAMPLE_FACTORS R-0950 UCSF-10445 Timepoint:Day 0 | Sample source:plasma class=2 SUBJECT_SAMPLE_FACTORS R-0851 UCSF-10446 Timepoint:Day 0 | Sample source:plasma class=2 SUBJECT_SAMPLE_FACTORS R-0372 UCSF-10447 Timepoint:Day 0 | Sample source:plasma class=1 SUBJECT_SAMPLE_FACTORS R-0879 UCSF-10448 Timepoint:Day 0 | Sample source:plasma class=1 SUBJECT_SAMPLE_FACTORS R-0691 UCSF-10449 Timepoint:Day 0 | Sample source:plasma class=1 SUBJECT_SAMPLE_FACTORS R-0473 UCSF-10450 Timepoint:Day 0 | Sample source:plasma class=2 SUBJECT_SAMPLE_FACTORS R-0945 UCSF-10451 Timepoint:Day 0 | Sample source:plasma class=1 SUBJECT_SAMPLE_FACTORS R-0997 UCSF-10452 Timepoint:Day 0 | Sample source:plasma class=1 SUBJECT_SAMPLE_FACTORS R-0990 UCSF-10453 Timepoint:Day 0 | Sample source:plasma class=2 SUBJECT_SAMPLE_FACTORS R-0478 UCSF-10454 Timepoint:Day 0 | Sample source:plasma class=1 SUBJECT_SAMPLE_FACTORS R-0606 UCSF-10455 Timepoint:Day 0 | Sample source:plasma class=1 SUBJECT_SAMPLE_FACTORS R-0906 UCSF-10456 Timepoint:Day 0 | Sample source:plasma class=1 SUBJECT_SAMPLE_FACTORS R-0808 UCSF-10457 Timepoint:Day 0 | Sample source:plasma class=2 SUBJECT_SAMPLE_FACTORS R-0485 UCSF-10458 Timepoint:Day 0 | Sample source:plasma class=2 SUBJECT_SAMPLE_FACTORS R-0308 UCSF-10459 Timepoint:Day 0 | Sample source:plasma class=2 SUBJECT_SAMPLE_FACTORS R-0931 UCSF-10460 Timepoint:Day 0 | Sample source:plasma class=1 SUBJECT_SAMPLE_FACTORS R-0238 UCSF-10461 Timepoint:Day 0 | Sample source:plasma class=2 SUBJECT_SAMPLE_FACTORS R-0838 UCSF-10462 Timepoint:Day 0 | Sample source:plasma class=2 SUBJECT_SAMPLE_FACTORS R-0975 UCSF-10463 Timepoint:Day 0 | Sample source:plasma class=2 SUBJECT_SAMPLE_FACTORS R-0084 UCSF-10464 Timepoint:Day 0 | Sample source:plasma class=2 SUBJECT_SAMPLE_FACTORS R-0783 UCSF-10465 Timepoint:Day 0 | Sample source:plasma class=2 SUBJECT_SAMPLE_FACTORS R-0677 UCSF-10466 Timepoint:Day 0 | Sample source:plasma class=2 SUBJECT_SAMPLE_FACTORS R-0590 UCSF-10467 Timepoint:Day 0 | Sample source:plasma class=2 SUBJECT_SAMPLE_FACTORS R-0903 UCSF-10468 Timepoint:Day 0 | Sample source:plasma class=1 SUBJECT_SAMPLE_FACTORS R-0107 UCSF-10469 Timepoint:Day 0 | Sample source:plasma class=1 SUBJECT_SAMPLE_FACTORS R-0109 UCSF-10470 Timepoint:Day 0 | Sample source:plasma class=2 SUBJECT_SAMPLE_FACTORS R-0904 UCSF-10471 Timepoint:Day 0 | Sample source:plasma class=2 SUBJECT_SAMPLE_FACTORS R-0309 UCSF-10472 Timepoint:Day 0 | Sample source:plasma class=1 SUBJECT_SAMPLE_FACTORS R-0968 UCSF-10473 Timepoint:Day 0 | Sample source:plasma class=1 SUBJECT_SAMPLE_FACTORS R-0438 UCSF-10474 Timepoint:Day 0 | Sample source:plasma class=1 SUBJECT_SAMPLE_FACTORS R-0198 UCSF-10475 Timepoint:Day 0 | Sample source:plasma class=2 SUBJECT_SAMPLE_FACTORS R-0318 UCSF-10476 Timepoint:Day 0 | Sample source:plasma class=2 SUBJECT_SAMPLE_FACTORS R-0366 UCSF-10477 Timepoint:Day 0 | Sample source:plasma class=2 SUBJECT_SAMPLE_FACTORS R-0233 UCSF-10478 Timepoint:Day 0 | Sample source:plasma class=1 SUBJECT_SAMPLE_FACTORS R-0208 UCSF-10479 Timepoint:Day 0 | Sample source:plasma class=1 SUBJECT_SAMPLE_FACTORS R-0753 UCSF-10480 Timepoint:Day 0 | Sample source:plasma class=1 SUBJECT_SAMPLE_FACTORS R-0194 UCSF-10481 Timepoint:Day 0 | Sample source:plasma class=1 SUBJECT_SAMPLE_FACTORS R-0487 UCSF-10482 Timepoint:Day 0 | Sample source:plasma class=1 SUBJECT_SAMPLE_FACTORS R-1006 UCSF-10483 Timepoint:Day 0 | Sample source:plasma class=1 SUBJECT_SAMPLE_FACTORS R-0793 UCSF-10484 Timepoint:Day 0 | Sample source:plasma class=1 SUBJECT_SAMPLE_FACTORS R-0490 UCSF-10485 Timepoint:Day 0 | Sample source:plasma class=2 SUBJECT_SAMPLE_FACTORS R-0720 UCSF-10486 Timepoint:Day 0 | Sample source:plasma class=1 SUBJECT_SAMPLE_FACTORS R-0726 UCSF-10487 Timepoint:Day 0 | Sample source:plasma class=2 SUBJECT_SAMPLE_FACTORS R-0445 UCSF-10488 Timepoint:Day 0 | Sample source:plasma class=2 SUBJECT_SAMPLE_FACTORS R-0982 UCSF-10489 Timepoint:Day 0 | Sample source:plasma class=1 SUBJECT_SAMPLE_FACTORS R-0898 UCSF-10490 Timepoint:Day 0 | Sample source:plasma class=2 SUBJECT_SAMPLE_FACTORS R-0842 UCSF-10491 Timepoint:Day 0 | Sample source:plasma class=1 SUBJECT_SAMPLE_FACTORS R-0088 UCSF-10492 Timepoint:Day 0 | Sample source:plasma class=1 SUBJECT_SAMPLE_FACTORS R-0170 UCSF-10493 Timepoint:Day 0 | Sample source:plasma class=1 SUBJECT_SAMPLE_FACTORS R-0374 UCSF-10494 Timepoint:Day 0 | Sample source:plasma class=1 SUBJECT_SAMPLE_FACTORS R-0026 UCSF-10495 Timepoint:Day 0 | Sample source:plasma class=1 SUBJECT_SAMPLE_FACTORS R-0373 UCSF-10496 Timepoint:Day 0 | Sample source:plasma class=1 SUBJECT_SAMPLE_FACTORS R-0785 UCSF-10497 Timepoint:Day 0 | Sample source:plasma class=2 SUBJECT_SAMPLE_FACTORS R-0085 UCSF-10498 Timepoint:Day 0 | Sample source:plasma class=2 SUBJECT_SAMPLE_FACTORS R-1001 UCSF-10499 Timepoint:Day 0 | Sample source:plasma class=2 SUBJECT_SAMPLE_FACTORS R-0742 UCSF-10500 Timepoint:Day 0 | Sample source:plasma class=1 SUBJECT_SAMPLE_FACTORS R-0971 UCSF-10501 Timepoint:Day 0 | Sample source:plasma class=2 SUBJECT_SAMPLE_FACTORS R-0183 UCSF-10502 Timepoint:Day 0 | Sample source:plasma class=2 SUBJECT_SAMPLE_FACTORS R-0460 UCSF-10503 Timepoint:Day 0 | Sample source:plasma class=2 SUBJECT_SAMPLE_FACTORS R-0583 UCSF-10504 Timepoint:Day 0 | Sample source:plasma class=2 SUBJECT_SAMPLE_FACTORS R-0965 UCSF-10505 Timepoint:Day 0 | Sample source:plasma class=2 SUBJECT_SAMPLE_FACTORS R-1004 UCSF-10506 Timepoint:Day 0 | Sample source:plasma class=1 SUBJECT_SAMPLE_FACTORS R-0978 UCSF-10507 Timepoint:Day 0 | Sample source:plasma class=2 SUBJECT_SAMPLE_FACTORS R-0638 UCSF-10508 Timepoint:Day 0 | Sample source:plasma class=2 SUBJECT_SAMPLE_FACTORS R-0850 UCSF-10509 Timepoint:Day 0 | Sample source:plasma class=2 SUBJECT_SAMPLE_FACTORS R-0964 UCSF-10510 Timepoint:Day 0 | Sample source:plasma class=2 SUBJECT_SAMPLE_FACTORS R-0969 UCSF-10511 Timepoint:Day 0 | Sample source:plasma class=2 SUBJECT_SAMPLE_FACTORS R-0035 UCSF-10512 Timepoint:Day 0 | Sample source:plasma class=1 SUBJECT_SAMPLE_FACTORS R-0900 UCSF-10513 Timepoint:Day 0 | Sample source:plasma class=1 SUBJECT_SAMPLE_FACTORS R-0723 UCSF-10514 Timepoint:Day 2 | Sample source:plasma class=2 SUBJECT_SAMPLE_FACTORS R-0883 UCSF-10515 Timepoint:Day 2 | Sample source:plasma class=2 SUBJECT_SAMPLE_FACTORS R-0975 UCSF-10516 Timepoint:Day 2 | Sample source:plasma class=2 SUBJECT_SAMPLE_FACTORS R-0103 UCSF-10517 Timepoint:Day 2 | Sample source:plasma class=1 SUBJECT_SAMPLE_FACTORS R-0882 UCSF-10518 Timepoint:Day 2 | Sample source:plasma class=1 SUBJECT_SAMPLE_FACTORS R-0997 UCSF-10519 Timepoint:Day 2 | Sample source:plasma class=1 SUBJECT_SAMPLE_FACTORS R-0084 UCSF-10520 Timepoint:Day 2 | Sample source:plasma class=2 SUBJECT_SAMPLE_FACTORS R-0832 UCSF-10521 Timepoint:Day 2 | Sample source:plasma class=1 SUBJECT_SAMPLE_FACTORS R-1005 UCSF-10522 Timepoint:Day 2 | Sample source:plasma class=1 SUBJECT_SAMPLE_FACTORS R-0964 UCSF-10523 Timepoint:Day 2 | Sample source:plasma class=2 SUBJECT_SAMPLE_FACTORS R-0460 UCSF-10524 Timepoint:Day 2 | Sample source:plasma class=2 SUBJECT_SAMPLE_FACTORS R-0965 UCSF-10525 Timepoint:Day 2 | Sample source:plasma class=2 SUBJECT_SAMPLE_FACTORS R-0879 UCSF-10526 Timepoint:Day 2 | Sample source:plasma class=1 SUBJECT_SAMPLE_FACTORS R-0978 UCSF-10527 Timepoint:Day 2 | Sample source:plasma class=2 SUBJECT_SAMPLE_FACTORS R-0904 UCSF-10528 Timepoint:Day 2 | Sample source:plasma class=2 SUBJECT_SAMPLE_FACTORS R-0982 UCSF-10529 Timepoint:Day 2 | Sample source:plasma class=1 SUBJECT_SAMPLE_FACTORS R-0167 UCSF-10530 Timepoint:Day 2 | Sample source:plasma class=1 SUBJECT_SAMPLE_FACTORS R-0681 UCSF-10531 Timepoint:Day 2 | Sample source:plasma class=1 SUBJECT_SAMPLE_FACTORS R-0752 UCSF-10532 Timepoint:Day 2 | Sample source:plasma class=2 SUBJECT_SAMPLE_FACTORS R-0473 UCSF-10533 Timepoint:Day 2 | Sample source:plasma class=2 SUBJECT_SAMPLE_FACTORS R-0843 UCSF-10534 Timepoint:Day 2 | Sample source:plasma class=2 SUBJECT_SAMPLE_FACTORS R-0082 UCSF-10535 Timepoint:Day 2 | Sample source:plasma class=2 SUBJECT_SAMPLE_FACTORS R-0208 UCSF-10536 Timepoint:Day 2 | Sample source:plasma class=1 SUBJECT_SAMPLE_FACTORS R-0155 UCSF-10537 Timepoint:Day 2 | Sample source:plasma class=2 SUBJECT_SAMPLE_FACTORS R-0797 UCSF-10538 Timepoint:Day 2 | Sample source:plasma class=1 SUBJECT_SAMPLE_FACTORS R-0381 UCSF-10539 Timepoint:Day 2 | Sample source:plasma class=1 SUBJECT_SAMPLE_FACTORS R-0485 UCSF-10540 Timepoint:Day 2 | Sample source:plasma class=2 SUBJECT_SAMPLE_FACTORS R-0900 UCSF-10541 Timepoint:Day 2 | Sample source:plasma class=1 SUBJECT_SAMPLE_FACTORS R-0996 UCSF-10542 Timepoint:Day 2 | Sample source:plasma class=2 SUBJECT_SAMPLE_FACTORS R-0971 UCSF-10543 Timepoint:Day 2 | Sample source:plasma class=2 SUBJECT_SAMPLE_FACTORS R-0691 UCSF-10544 Timepoint:Day 2 | Sample source:plasma class=1 SUBJECT_SAMPLE_FACTORS R-0233 UCSF-10545 Timepoint:Day 2 | Sample source:plasma class=1 SUBJECT_SAMPLE_FACTORS R-0203 UCSF-10546 Timepoint:Day 2 | Sample source:plasma class=1 SUBJECT_SAMPLE_FACTORS R-0945 UCSF-10547 Timepoint:Day 2 | Sample source:plasma class=1 SUBJECT_SAMPLE_FACTORS R-0977 UCSF-10548 Timepoint:Day 2 | Sample source:plasma class=2 #COLLECTION CO:COLLECTION_SUMMARY EDTA plasma was collected as part of the ROSE trial of neuromuscular blockade CO:COLLECTION_SUMMARY for the treatment of moderate to severe ARDS and requested from BioLINCC for CO:COLLECTION_SUMMARY this project. CO:SAMPLE_TYPE Blood (plasma) #TREATMENT TR:TREATMENT_SUMMARY None #SAMPLEPREP SP:SAMPLEPREP_SUMMARY Upon receipt, the 290 EDTA plasma samples were stored at -80°C and accessioned SP:SAMPLEPREP_SUMMARY into the Metabolon LIMS system with unique identifiers. Sample preparation was SP:SAMPLEPREP_SUMMARY performed using the automated MicroLab STAR® system from Hamilton Company. SP:SAMPLEPREP_SUMMARY Recovery standards were added prior to extraction, then proteins were SP:SAMPLEPREP_SUMMARY precipitated with methanol under vigorous shaking for 2 minutes using a Glen SP:SAMPLEPREP_SUMMARY Mills GenoGrinder 2000, followed by centrifugation. The resulting extract was SP:SAMPLEPREP_SUMMARY divided into four fractions for different analytical methods: two fractions for SP:SAMPLEPREP_SUMMARY reverse phase UPLC-MS/MS with positive ion mode electrospray ionization, one SP:SAMPLEPREP_SUMMARY fraction for reverse phase UPLC-MS/MS with negative ion mode ESI, and one SP:SAMPLEPREP_SUMMARY fraction for HILIC/UPLC-MS/MS with negative ion mode ESI, with remaining SP:SAMPLEPREP_SUMMARY fractions reserved for backup. Samples were briefly placed on a TurboVap® SP:SAMPLEPREP_SUMMARY (Zymark) to remove organic solvent, then sample extracts were stored overnight SP:SAMPLEPREP_SUMMARY under nitrogen before analysis. #CHROMATOGRAPHY CH:CHROMATOGRAPHY_SUMMARY High pH (LC/MS Neg) CH:CHROMATOGRAPHY_TYPE Reversed phase CH:INSTRUMENT_NAME Waters Acquity CH:COLUMN_NAME Waters Acquity BEH C18 (100 x 2mm, 1.7um) CH:SOLVENT_A 100% water; 6.5 mM ammonium bicarbonate, pH 8 CH:SOLVENT_B 95% methanol/5% water; 6.5 mM ammonium bicarbonate CH:FLOW_GRADIENT Linear gradient from 0.5 to 70% B over 4.0 minutes, then rapid gradient to 99% B CH:FLOW_GRADIENT in 0.5 minutes. CH:FLOW_RATE 0.35 mL/min CH:COLUMN_TEMPERATURE 40-50 #ANALYSIS AN:ANALYSIS_TYPE MS #MS MS:INSTRUMENT_NAME Thermo Q Exactive Orbitrap MS:INSTRUMENT_TYPE Orbitrap MS:MS_TYPE Other MS:ION_MODE NEGATIVE MS:MS_COMMENTS Metabolon (LC/MS Neg) #MS_METABOLITE_DATA MS_METABOLITE_DATA:UNITS median-scaled values (batch normalized total ion counts) MS_METABOLITE_DATA_START Samples UCSF-10259 UCSF-10260 UCSF-10261 UCSF-10262 UCSF-10263 UCSF-10264 UCSF-10265 UCSF-10266 UCSF-10267 UCSF-10268 UCSF-10269 UCSF-10270 UCSF-10271 UCSF-10272 UCSF-10273 UCSF-10274 UCSF-10275 UCSF-10276 UCSF-10277 UCSF-10278 UCSF-10279 UCSF-10280 UCSF-10281 UCSF-10282 UCSF-10283 UCSF-10284 UCSF-10285 UCSF-10286 UCSF-10287 UCSF-10288 UCSF-10289 UCSF-10290 UCSF-10291 UCSF-10292 UCSF-10293 UCSF-10294 UCSF-10295 UCSF-10296 UCSF-10297 UCSF-10298 UCSF-10299 UCSF-10300 UCSF-10301 UCSF-10302 UCSF-10303 UCSF-10304 UCSF-10305 UCSF-10306 UCSF-10307 UCSF-10308 UCSF-10309 UCSF-10310 UCSF-10311 UCSF-10312 UCSF-10313 UCSF-10314 UCSF-10315 UCSF-10316 UCSF-10317 UCSF-10318 UCSF-10319 UCSF-10320 UCSF-10321 UCSF-10322 UCSF-10323 UCSF-10324 UCSF-10325 UCSF-10326 UCSF-10327 UCSF-10328 UCSF-10329 UCSF-10330 UCSF-10331 UCSF-10332 UCSF-10333 UCSF-10334 UCSF-10335 UCSF-10336 UCSF-10337 UCSF-10338 UCSF-10339 UCSF-10340 UCSF-10341 UCSF-10342 UCSF-10343 UCSF-10344 UCSF-10345 UCSF-10346 UCSF-10347 UCSF-10348 UCSF-10349 UCSF-10350 UCSF-10351 UCSF-10352 UCSF-10353 UCSF-10354 UCSF-10355 UCSF-10356 UCSF-10357 UCSF-10358 UCSF-10359 UCSF-10360 UCSF-10361 UCSF-10362 UCSF-10363 UCSF-10364 UCSF-10365 UCSF-10366 UCSF-10367 UCSF-10368 UCSF-10369 UCSF-10370 UCSF-10371 UCSF-10372 UCSF-10373 UCSF-10374 UCSF-10375 UCSF-10376 UCSF-10377 UCSF-10378 UCSF-10379 UCSF-10380 UCSF-10381 UCSF-10382 UCSF-10383 UCSF-10384 UCSF-10385 UCSF-10386 UCSF-10387 UCSF-10388 UCSF-10389 UCSF-10390 UCSF-10391 UCSF-10392 UCSF-10393 UCSF-10394 UCSF-10395 UCSF-10396 UCSF-10397 UCSF-10398 UCSF-10399 UCSF-10400 UCSF-10401 UCSF-10402 UCSF-10403 UCSF-10404 UCSF-10405 UCSF-10406 UCSF-10407 UCSF-10408 UCSF-10409 UCSF-10410 UCSF-10411 UCSF-10412 UCSF-10413 UCSF-10414 UCSF-10415 UCSF-10416 UCSF-10417 UCSF-10418 UCSF-10419 UCSF-10420 UCSF-10421 UCSF-10422 UCSF-10423 UCSF-10424 UCSF-10425 UCSF-10426 UCSF-10427 UCSF-10428 UCSF-10429 UCSF-10430 UCSF-10431 UCSF-10432 UCSF-10433 UCSF-10434 UCSF-10435 UCSF-10436 UCSF-10437 UCSF-10438 UCSF-10439 UCSF-10440 UCSF-10441 UCSF-10442 UCSF-10443 UCSF-10444 UCSF-10445 UCSF-10446 UCSF-10447 UCSF-10448 UCSF-10449 UCSF-10450 UCSF-10451 UCSF-10452 UCSF-10453 UCSF-10454 UCSF-10455 UCSF-10456 UCSF-10457 UCSF-10458 UCSF-10459 UCSF-10460 UCSF-10461 UCSF-10462 UCSF-10463 UCSF-10464 UCSF-10465 UCSF-10466 UCSF-10467 UCSF-10468 UCSF-10469 UCSF-10470 UCSF-10471 UCSF-10472 UCSF-10473 UCSF-10474 UCSF-10475 UCSF-10476 UCSF-10477 UCSF-10478 UCSF-10479 UCSF-10480 UCSF-10481 UCSF-10482 UCSF-10483 UCSF-10484 UCSF-10485 UCSF-10486 UCSF-10487 UCSF-10488 UCSF-10489 UCSF-10490 UCSF-10491 UCSF-10492 UCSF-10493 UCSF-10494 UCSF-10495 UCSF-10496 UCSF-10497 UCSF-10498 UCSF-10499 UCSF-10500 UCSF-10501 UCSF-10502 UCSF-10503 UCSF-10504 UCSF-10505 UCSF-10506 UCSF-10507 UCSF-10508 UCSF-10509 UCSF-10510 UCSF-10511 UCSF-10512 UCSF-10513 UCSF-10514 UCSF-10515 UCSF-10516 UCSF-10517 UCSF-10518 UCSF-10519 UCSF-10520 UCSF-10521 UCSF-10522 UCSF-10523 UCSF-10524 UCSF-10525 UCSF-10526 UCSF-10527 UCSF-10528 UCSF-10529 UCSF-10530 UCSF-10531 UCSF-10532 UCSF-10533 UCSF-10534 UCSF-10535 UCSF-10536 UCSF-10537 UCSF-10538 UCSF-10539 UCSF-10540 UCSF-10541 UCSF-10542 UCSF-10543 UCSF-10544 UCSF-10545 UCSF-10546 UCSF-10547 UCSF-10548 Factors Timepoint:Day 2 | Sample source:plasma Timepoint:Day 2 | Sample source:plasma Timepoint:Day 2 | Sample source:plasma Timepoint:Day 2 | Sample source:plasma Timepoint:Day 2 | Sample source:plasma Timepoint:Day 2 | Sample source:plasma Timepoint:Day 2 | Sample source:plasma Timepoint:Day 2 | Sample source:plasma Timepoint:Day 2 | Sample source:plasma Timepoint:Day 2 | Sample source:plasma Timepoint:Day 2 | Sample source:plasma Timepoint:Day 2 | Sample source:plasma Timepoint:Day 2 | Sample source:plasma Timepoint:Day 2 | Sample source:plasma Timepoint:Day 2 | Sample source:plasma Timepoint:Day 2 | Sample source:plasma Timepoint:Day 2 | Sample source:plasma Timepoint:Day 2 | Sample source:plasma Timepoint:Day 2 | Sample source:plasma Timepoint:Day 2 | Sample source:plasma Timepoint:Day 2 | Sample source:plasma Timepoint:Day 2 | Sample source:plasma Timepoint:Day 2 | Sample source:plasma Timepoint:Day 2 | Sample source:plasma Timepoint:Day 2 | Sample source:plasma Timepoint:Day 2 | Sample source:plasma Timepoint:Day 2 | Sample source:plasma Timepoint:Day 2 | Sample source:plasma Timepoint:Day 2 | Sample source:plasma Timepoint:Day 2 | Sample source:plasma Timepoint:Day 2 | Sample source:plasma Timepoint:Day 2 | Sample source:plasma Timepoint:Day 2 | Sample source:plasma Timepoint:Day 2 | Sample source:plasma Timepoint:Day 2 | Sample source:plasma Timepoint:Day 2 | Sample source:plasma Timepoint:Day 2 | Sample source:plasma Timepoint:Day 2 | Sample source:plasma Timepoint:Day 2 | Sample source:plasma Timepoint:Day 2 | Sample source:plasma Timepoint:Day 2 | Sample source:plasma Timepoint:Day 2 | Sample source:plasma Timepoint:Day 2 | Sample source:plasma Timepoint:Day 2 | Sample source:plasma Timepoint:Day 2 | Sample source:plasma Timepoint:Day 2 | Sample source:plasma Timepoint:Day 2 | Sample source:plasma Timepoint:Day 2 | Sample source:plasma Timepoint:Day 2 | Sample source:plasma Timepoint:Day 2 | Sample source:plasma Timepoint:Day 2 | Sample source:plasma Timepoint:Day 2 | Sample source:plasma Timepoint:Day 2 | Sample source:plasma Timepoint:Day 2 | Sample source:plasma Timepoint:Day 2 | Sample source:plasma Timepoint:Day 2 | Sample source:plasma Timepoint:Day 2 | Sample source:plasma Timepoint:Day 2 | Sample source:plasma Timepoint:Day 2 | Sample source:plasma Timepoint:Day 2 | Sample source:plasma Timepoint:Day 2 | Sample source:plasma Timepoint:Day 2 | Sample source:plasma Timepoint:Day 2 | Sample source:plasma Timepoint:Day 2 | Sample source:plasma Timepoint:Day 2 | Sample source:plasma Timepoint:Day 2 | Sample source:plasma Timepoint:Day 2 | Sample source:plasma Timepoint:Day 2 | Sample source:plasma Timepoint:Day 2 | Sample source:plasma Timepoint:Day 2 | Sample source:plasma Timepoint:Day 2 | Sample source:plasma Timepoint:Day 2 | Sample source:plasma Timepoint:Day 2 | Sample source:plasma Timepoint:Day 2 | Sample source:plasma Timepoint:Day 2 | Sample source:plasma Timepoint:Day 2 | Sample source:plasma Timepoint:Day 2 | Sample source:plasma Timepoint:Day 2 | Sample source:plasma Timepoint:Day 2 | Sample source:plasma Timepoint:Day 2 | Sample source:plasma Timepoint:Day 2 | Sample source:plasma Timepoint:Day 2 | Sample source:plasma Timepoint:Day 2 | Sample source:plasma Timepoint:Day 0 | Sample source:plasma Timepoint:Day 2 | Sample source:plasma Timepoint:Day 2 | Sample source:plasma Timepoint:Day 2 | Sample source:plasma Timepoint:Day 2 | Sample source:plasma Timepoint:Day 2 | Sample source:plasma Timepoint:Day 2 | Sample source:plasma Timepoint:Day 2 | Sample source:plasma Timepoint:Day 2 | Sample source:plasma Timepoint:Day 2 | Sample source:plasma Timepoint:Day 2 | Sample source:plasma Timepoint:Day 2 | Sample source:plasma Timepoint:Day 2 | Sample source:plasma Timepoint:Day 0 | Sample source:plasma Timepoint:Day 0 | Sample source:plasma Timepoint:Day 0 | Sample source:plasma Timepoint:Day 0 | Sample source:plasma Timepoint:Day 0 | Sample source:plasma Timepoint:Day 0 | Sample source:plasma Timepoint:Day 0 | Sample source:plasma Timepoint:Day 0 | Sample source:plasma Timepoint:Day 0 | Sample source:plasma Timepoint:Day 0 | Sample source:plasma Timepoint:Day 0 | Sample source:plasma Timepoint:Day 0 | Sample source:plasma Timepoint:Day 0 | Sample source:plasma Timepoint:Day 0 | Sample source:plasma Timepoint:Day 0 | Sample source:plasma Timepoint:Day 0 | Sample source:plasma Timepoint:Day 0 | Sample source:plasma Timepoint:Day 0 | Sample source:plasma Timepoint:Day 0 | Sample source:plasma Timepoint:Day 0 | Sample source:plasma Timepoint:Day 0 | Sample source:plasma Timepoint:Day 0 | Sample source:plasma Timepoint:Day 0 | Sample source:plasma Timepoint:Day 0 | Sample source:plasma Timepoint:Day 0 | Sample source:plasma Timepoint:Day 0 | Sample source:plasma Timepoint:Day 0 | Sample source:plasma Timepoint:Day 0 | Sample source:plasma Timepoint:Day 0 | Sample source:plasma Timepoint:Day 0 | Sample source:plasma Timepoint:Day 0 | Sample source:plasma Timepoint:Day 0 | Sample source:plasma Timepoint:Day 0 | Sample source:plasma Timepoint:Day 0 | Sample source:plasma Timepoint:Day 0 | Sample source:plasma Timepoint:Day 0 | Sample source:plasma Timepoint:Day 0 | Sample source:plasma Timepoint:Day 0 | Sample source:plasma Timepoint:Day 0 | Sample source:plasma Timepoint:Day 0 | Sample source:plasma Timepoint:Day 0 | Sample source:plasma Timepoint:Day 0 | Sample source:plasma Timepoint:Day 0 | Sample source:plasma Timepoint:Day 0 | Sample source:plasma Timepoint:Day 0 | Sample source:plasma Timepoint:Day 0 | Sample source:plasma Timepoint:Day 0 | Sample source:plasma Timepoint:Day 0 | Sample source:plasma Timepoint:Day 0 | Sample source:plasma Timepoint:Day 0 | Sample source:plasma Timepoint:Day 0 | Sample source:plasma Timepoint:Day 0 | Sample source:plasma Timepoint:Day 0 | Sample source:plasma Timepoint:Day 0 | Sample source:plasma Timepoint:Day 0 | Sample source:plasma Timepoint:Day 0 | Sample source:plasma Timepoint:Day 0 | Sample source:plasma Timepoint:Day 0 | Sample source:plasma Timepoint:Day 0 | Sample source:plasma Timepoint:Day 0 | Sample source:plasma Timepoint:Day 0 | Sample source:plasma Timepoint:Day 0 | Sample source:plasma Timepoint:Day 0 | Sample source:plasma Timepoint:Day 0 | Sample source:plasma Timepoint:Day 0 | Sample source:plasma Timepoint:Day 0 | Sample source:plasma Timepoint:Day 0 | Sample source:plasma Timepoint:Day 0 | Sample source:plasma Timepoint:Day 0 | Sample source:plasma Timepoint:Day 0 | Sample source:plasma Timepoint:Day 0 | Sample source:plasma Timepoint:Day 0 | Sample source:plasma Timepoint:Day 0 | Sample source:plasma Timepoint:Day 0 | Sample source:plasma Timepoint:Day 0 | Sample source:plasma Timepoint:Day 0 | Sample source:plasma Timepoint:Day 0 | Sample source:plasma Timepoint:Day 0 | Sample source:plasma Timepoint:Day 0 | Sample source:plasma Timepoint:Day 0 | Sample source:plasma Timepoint:Day 0 | Sample source:plasma Timepoint:Day 0 | Sample source:plasma Timepoint:Day 0 | Sample source:plasma Timepoint:Day 0 | Sample source:plasma Timepoint:Day 0 | Sample source:plasma Timepoint:Day 0 | Sample source:plasma Timepoint:Day 0 | Sample source:plasma Timepoint:Day 0 | Sample source:plasma Timepoint:Day 0 | Sample source:plasma Timepoint:Day 0 | Sample source:plasma Timepoint:Day 0 | Sample source:plasma Timepoint:Day 0 | Sample source:plasma Timepoint:Day 0 | Sample source:plasma Timepoint:Day 0 | Sample source:plasma Timepoint:Day 0 | Sample source:plasma Timepoint:Day 0 | Sample source:plasma Timepoint:Day 0 | Sample source:plasma Timepoint:Day 0 | Sample source:plasma Timepoint:Day 0 | Sample source:plasma Timepoint:Day 0 | Sample source:plasma Timepoint:Day 0 | Sample source:plasma Timepoint:Day 0 | Sample source:plasma Timepoint:Day 0 | Sample source:plasma Timepoint:Day 0 | Sample source:plasma Timepoint:Day 0 | Sample source:plasma Timepoint:Day 0 | Sample source:plasma Timepoint:Day 0 | Sample source:plasma Timepoint:Day 0 | Sample source:plasma Timepoint:Day 0 | Sample source:plasma Timepoint:Day 0 | Sample source:plasma Timepoint:Day 0 | Sample source:plasma Timepoint:Day 0 | Sample source:plasma Timepoint:Day 0 | Sample source:plasma Timepoint:Day 0 | Sample source:plasma Timepoint:Day 0 | Sample source:plasma Timepoint:Day 0 | Sample source:plasma Timepoint:Day 0 | Sample source:plasma Timepoint:Day 0 | Sample source:plasma Timepoint:Day 0 | Sample source:plasma Timepoint:Day 0 | Sample source:plasma Timepoint:Day 0 | Sample source:plasma Timepoint:Day 0 | Sample source:plasma Timepoint:Day 0 | Sample source:plasma Timepoint:Day 0 | Sample source:plasma Timepoint:Day 0 | Sample source:plasma Timepoint:Day 0 | Sample source:plasma Timepoint:Day 0 | Sample source:plasma Timepoint:Day 0 | Sample source:plasma Timepoint:Day 0 | Sample source:plasma Timepoint:Day 0 | Sample source:plasma Timepoint:Day 0 | Sample source:plasma Timepoint:Day 0 | Sample source:plasma Timepoint:Day 0 | Sample source:plasma Timepoint:Day 0 | Sample source:plasma Timepoint:Day 0 | Sample source:plasma Timepoint:Day 0 | Sample source:plasma Timepoint:Day 0 | Sample source:plasma Timepoint:Day 0 | Sample source:plasma Timepoint:Day 0 | Sample source:plasma Timepoint:Day 0 | Sample source:plasma Timepoint:Day 0 | Sample source:plasma Timepoint:Day 0 | Sample source:plasma Timepoint:Day 0 | Sample source:plasma Timepoint:Day 0 | Sample source:plasma Timepoint:Day 0 | Sample source:plasma Timepoint:Day 0 | Sample source:plasma Timepoint:Day 0 | Sample source:plasma Timepoint:Day 0 | Sample source:plasma Timepoint:Day 0 | Sample source:plasma Timepoint:Day 0 | Sample source:plasma Timepoint:Day 0 | Sample source:plasma Timepoint:Day 0 | Sample source:plasma Timepoint:Day 0 | Sample source:plasma Timepoint:Day 0 | Sample source:plasma Timepoint:Day 0 | Sample source:plasma Timepoint:Day 0 | Sample source:plasma Timepoint:Day 0 | Sample source:plasma Timepoint:Day 0 | Sample source:plasma Timepoint:Day 0 | Sample source:plasma Timepoint:Day 2 | Sample source:plasma Timepoint:Day 2 | Sample source:plasma Timepoint:Day 2 | Sample source:plasma Timepoint:Day 2 | Sample source:plasma Timepoint:Day 2 | Sample source:plasma Timepoint:Day 2 | Sample source:plasma Timepoint:Day 2 | Sample source:plasma Timepoint:Day 2 | Sample source:plasma Timepoint:Day 2 | Sample source:plasma Timepoint:Day 2 | Sample source:plasma Timepoint:Day 2 | Sample source:plasma Timepoint:Day 2 | Sample source:plasma Timepoint:Day 2 | Sample source:plasma Timepoint:Day 2 | Sample source:plasma Timepoint:Day 2 | Sample source:plasma Timepoint:Day 2 | Sample source:plasma Timepoint:Day 2 | Sample source:plasma Timepoint:Day 2 | Sample source:plasma Timepoint:Day 2 | Sample source:plasma Timepoint:Day 2 | Sample source:plasma Timepoint:Day 2 | Sample source:plasma Timepoint:Day 2 | Sample source:plasma Timepoint:Day 2 | Sample source:plasma Timepoint:Day 2 | Sample source:plasma Timepoint:Day 2 | Sample source:plasma Timepoint:Day 2 | Sample source:plasma Timepoint:Day 2 | Sample source:plasma Timepoint:Day 2 | Sample source:plasma Timepoint:Day 2 | Sample source:plasma Timepoint:Day 2 | Sample source:plasma Timepoint:Day 2 | Sample source:plasma Timepoint:Day 2 | Sample source:plasma Timepoint:Day 2 | Sample source:plasma Timepoint:Day 2 | Sample source:plasma Timepoint:Day 2 | Sample source:plasma 12,13-DiHOME 0.221130807024114 0.151673936716563 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6.03312070399873 1.01751362527376 1.43229251137919 0.938181920011388 25.3342465465721 4.88511015148527 0.333734322621747 1.17640572804059 0.337935959171434 0.417295667565489 0.445022268323674 0.147947545467168 0.692898989203626 0.81824100661924 1.47470442111109 0.109751273850792 12.3404084023397 2.47327509459808 0.172197090707978 0.379345590148498 0.186847395767093 1.17936239202751 3.219657731723 2.61684598394254 1 0.926515115273725 1.15619330095082 1.30732471635574 1.16955510581073 0.29097229431577 0.386342693424462 0.0655188541424745 0.493432381841202 2.43269756634777 1.43397438024224 1.06391882331914 0.96965506760264 0.349705733461621 0.665619244036273 1.10722561076762 13.6851781492513 1.15851007698342 0.548526954900536 0.698664429120775 0.477434214117302 0.500603088541104 0.462728914108847 3.32341278547707 0.286746928636485 0.518362895552771 1.0681399079795 0.83465313579285 0.898209142758068 0.582935644512751 0.131437983554466 0.171022425047386 3.10527988766606 0.468929970022165 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1.43480949376129 4.1775804179873 0.251631322107692 12.6982854167307 0.463192419166159 0.268525834464878 0.732188349223167 0.395363049401623 0.337009721938457 2.7717143482215 19.4962202506333 1.17550838126199 3.15577521475232 0.553237421778806 0.203934700106133 0.751236261004305 3.81867870593532 1.11371612373639 0.492544464714806 0.987388781711112 0.25631781354924 1.54528376597195 0.489711234742234 2.01093333863698 0.498794928030173 0.264548102531465 0.737203907579207 0.303703449236004 1.24461966554507 1.70444909316752 5.53429799359585 1.05587266918469 1.85571139023539 1.05667906393119 25.0636635995943 0.410637540025928 0.588890556321972 31.7058503396441 2.4040146163568 0.611914391976553 0.787026808105171 1.13977930820009 1.8859855463686 0.783351022186704 2.59359151224328 2.24475707810277 2.60829103979721 1.07491877290586 0.752995503354855 2.2919836045122 0.686724681284229 2.66472059145258 8.81504631345612 0.722629136163188 0.943742214041755 0.712957823385086 2.23964207644839 1.16725277944019 0.291706971336825 0.847359961235194 1.23841801984888 1.80702395137042 0.898377989401153 0.515810580405331 0.245699077346997 1.68855624603357 3.34056075171901 11.1960624069979 1.39062774034089 2.76020243039421 1.72264360064295 0.45126283948586 1.78299845049261 0.543582381540431 0.339615136354843 2.83110731016726 1.34398521730169 1.44138359981124 0.474006425845133 0.922799455412337 2.49453333068151 1.02608307312337 5.42321802129533 0.505991006709711 18.8852406256611 0.521070226857284 0.404949383361147 0.244409930588578 0.597175087103289 0.563659079444347 0.613397001151734 0.533079361176252 1.32368974414143 2.77258221700697 1.09214958441742 0.714659207816605 0.896154075638381 1.19032724077392 32.6084393007147 3.00763182113224 3.12430231485918 0.561393580302272 0.161085486883429 3.72262552004325 0.44956687923425 7.35448823766587 17.8846041885517 1.03619736059406 0.670553392914936 2.00403378179247 0.926529483129896 0.350700352029276 0.408372040883852 0.608858770627704 5,6-dihydrothymine 0.727529921541406 1.17365011253444 1.16578321869544 1.30160808565238 0.870953492774658 1.3697440104331 0.955154498222587 1.98536526366715 1.14431227782335 1.50906060032393 1.26134284091626 3.15714330788162 2.14205107170653 1.47393302622999 0.809879893144865 1 6.2318209545445 0.641235985780695 0.922177699249069 0.907563997391725 0.853978671041838 0.651211585789108 2.51251551292569 0.756946635535643 0.532482488799142 4.83701962516565 0.779905765549736 0.945646915294167 0.475705180791317 0.83125617887718 2.00553206705791 3.05410393746381 0.661672457054623 1.66051437946342 1.2393119088979 2.32601693688477 0.571640971820112 0.554517105771087 0.552387931866435 1.86261399826288 0.973168186643505 0.827938018722254 0.601663530206524 1.32179176317313 1.82246730843467 0.444487671298977 0.719060630187223 0.542975535610886 0.524195980505694 0.313941565334877 1.17149500579039 1.30045177089365 1.00226187029531 0.417393480988226 0.362499396834588 1.04934797818954 1.19290737791932 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1.16182928006176 1.10685678440455 0.942729444122756 0.511764741362671 0.849651973557228 0.574605529820498 1.52985367207103 1.1080570835746 0.95472941999614 0.74021665701602 1.06857085987261 1.5650905954449 0.942654048446246 1.36226416232388 0.689019976838448 1.38508190986296 0.907878546612623 0.82579074985524 0.70305262015055 0.982499155568423 2.01539278131635 7.32934037830535 3.3431709612044 0.823438404748118 1.25290725728624 0.596590909090909 0.512738853503185 10.3534006465933 9.82044368847713 0.880232459949817 1.14759156050955 0.758812246670527 1.14008818278325 0.692002629801197 0.791947138583285 2.51066999613974 2.25328725149585 0.71465752267902 1.59334286334684 2.22229058096893 0.687916184134337 1.10239336035514 0.808449744257865 0.735222447403976 1.12380573248408 3.8768818760857 3.41594286817217 2.85169067265007 1.6458815865663 0.721865349353407 0.616504415170816 0.42209213954835 1.58325793765682 1.84890404844625 2.84708248890176 0.664489239529049 1.74706560027022 0.62273511387763 1.92467368751206 0.895317626906003 0.350617038216561 3.68449020459371 0.456472568037059 0.685977007334491 0.719820618606447 1.1752346313453 0.982577567071994 4.31184254970083 1.36023451071222 1.54061715884964 0.976735910055974 6.44329038795599 0.730207127002509 1.27543246960046 0.832823658560124 1.17320196390658 2.86213448176028 0.525664688284115 0.344902045937078 1.71965474811812 1.76077555008686 2.24441468828412 0.513550110982436 1.71134011291257 0.82601090523065 0.456569074502992 1.79213713568809 0.883773040918742 0.800575419803127 0.538071800810654 1.99202615325227 1.31606772341247 1.04419091391623 1.13233750723799 0.632524488515731 0.725258154796371 0.784763438525381 1.7296672939587 1.66902202760085 0.291769204786721 1.08808024512642 1.43645953966416 1.96908174097665 1.01279313839027 0.98766225149585 0.635781581740977 2.13413795599305 0.477010350318471 0.500554912179116 1.09081861609728 2.1769566685968 0.475240059834009 0.819608304381394 2.64943121501641 3.03349980698707 1.4290285417873 0.422206740976646 0.667079834973943 0.420095662034356 0.848783415363829 0.363364939200926 0.433507044972013 1.88571523354565 1.83512473460722 0.618525019301293 2.48012871549894 0.692044851380043 1.31254825323297 4.6254342790967 1.65047167535225 0.949334105385061 0.666636508396063 0.470288071800811 0.454461011387763 0.711502967573828 1.04643468924918 1.33499203821656 1.66638317892299 1.99930937560317 0.959458236826867 0.967631128160587 0.720466005597375 0.666193181818182 9,10-DiHOME 0.476368998984304 0.479633080814193 1.10589863235723 0.381451902990587 6.36294403322336 8.78470413364124 0.318244222758771 1.46975403795549 0.87423979275459 0.709626913193451 0.796578681397738 1.8528550909578 0.767252020333953 4.52744674689303 4.50920010382301 0.562418575304646 2.15806218196902 1.16917307979599 1.57637709450815 0.841416199226669 6.75373082633599 0.458694050123811 0.149302324416851 1.42018105597345 0.343624941891665 11.0473755062832 2.59939675828518 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3.02739470919683 0.576902874606055 1.7883917486391 0.219999681660459 0.166773310412886 1.62911533441569 8.4243481997899 0.388810365135454 1.40967752204501 1.59354725750486 3.66705822430204 0.351768376150002 2.1958631776653 2.0022331518798 1.9817193518607 0.60191799573425 0.617473657402986 8.24372393595009 0.364387355553433 2.94160379460733 0.658501257441187 2.38043803520835 3.15418616496355 0.269179957342502 0.486755483398593 1.92239200331073 0.671546811829497 0.155784229459141 0.17288861299462 0.674680864610193 24.123835673129 0.932429249037023 0.610739184414096 0.539087320536084 0.327926336230223 0.745027536370293 1.71997262279948 0.404019036704549 1.96988985451883 1.5896253143603 0.291334797695222 0.549705535924617 6.77766211441123 2.1753493776462 0.841326839206698 1.42544806290389 2.80574443701652 1.25837392162481 1.16931843504282 6.51299780345717 4.86564002164709 2.10232069525356 0.960140706077102 0.657742017636011 5.24910864928533 2.00192913761818 2.21612071435393 0.242590647184287 1.17147041033967 1.91501448444911 2.11551586922612 0.176059274822526 25.8535415273931 0.583027727374017 1.57942889886353 13.0382548626365 2.68722025912839 0.504047687263235 1.59817273103492 0.57281857829561 1.30659281189317 20.8388581160666 1.14942221373317 1.28683029319072 0.97529685162194 7.92505332187311 4.13733804475854 6.79984401362493 2.15210422436571 0.136325725018305 linoleate (18:2n6) 1.50234594885336 2.02696858210766 0.517090138601779 0.844648596853338 1.83632480218848 2.19683913201612 0.34346796255378 1.30428660577205 1.07264279483606 0.184261738644802 2.48902516935204 0.995065547888224 1.01004234391449 0.829321507556417 1.66771392369461 0.224259984551526 1.92190186972775 0.97147398215674 1.88191700274115 1.00493445211178 0.523579179156334 0.661127511179273 0.585218944151657 0.561348680818605 2.13373078801924 2.79696169050042 3.01002885271163 0.990666684808102 0.530022533962281 0.692141673414252 0.353905045318521 0.522013623898105 0.923817733186545 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1.51251253139831 1.22516560944208 0.847702545071294 0.362546876675647 4.03392815282956 0.484493274044921 1.84623964900283 1.87855286530158 10.7240977935937 1.5346992292709 4.10403775182047 0.607482443214447 2.03094133926096 1.32332702896951 6.80383452992835 1.86746646317769 0.456179408692854 1.27853181172354 1.08163988663907 4.50136554201853 0.869901991923462 0.614231705638613 0.612897838716409 0.686589506263597 1.01866861103736 0.722626648185514 1.6884626194985 0.571481890469214 1.17426848585264 1.04407251193303 1.22702218452699 5.91256994522399 1.25853039946816 2.15649972384447 0.746035116689279 0.213583812758776 0.533980984127284 3.03665094805636 1.44423606200046 0.199704870990392 1.76116736603832 3.63783871088318 7.88372058325911 1.00198370964598 1.53767609626719 1.1124257120315 6.50161416685557 1.13267941988275 2.04822473222308 0.597463126734212 1.02158631171666 2.14442703224162 0.771464594485155 0.790580485511929 0.301581216861287 0.744113217885468 1.20946893158538 1.86594467708591 1.31478142348159 2.80137081922772 0.646835148707769 1.39754566749611 0.281644496796395 1.30663652276358 1.83799472997444 0.675379087750121 0.529035287872946 4.01024895599475 2.29938657672966 0.271878975791977 2.3247754393553 7.22407184172351 2.01659964505736 0.370341358072616 1.05266607410883 0.546974523078633 2.89590529221194 0.985378617656168 0.573577459583071 1.14495514786626 4.01982272918866 0.644736816657162 0.339688390467379 0.639121463475496 0.173967009982609 0.974422270912185 2.48221270658034 0.589238495555678 0.376569767448745 0.539690040335324 0.40463303443752 1.68384468648384 N-formylkynurenine 0.745919342846015 0.650855964309741 0.479437382714301 0.927114683284354 0.424321955882874 0.779533866798853 1.38345784796233 1.25670077541338 0.999017455652728 1.08067485748681 0.410455688135113 1.1558262224268 0.821393796692986 1.15556509577594 1.03488475020359 3.03460149417555 1.51031671564636 1.18064210600857 1.23276121516836 0.778900966611196 1.22391389016748 0.584149169705768 1.76333958857062 1.93066423538576 0.892420245724604 0.929712672166555 1 0.497034663456432 1.13960538894593 0.989038105268013 1.35170309100833 4.87928078901043 0.778102346890927 0.759553222074458 1.2124501295287 1.10428405605479 2.85634229400324 1.96378577413577 1.82358729158179 1.7255452120504 0.589905217277668 0.394297662333669 0.831305203440774 1.26777464312345 1.26398487166281 1.6544466395566 1.3322161322807 2.63960272740551 0.523134517668945 0.982381021931477 1.17132380637573 0.666184937772414 7.65179456825048 3.11617609753473 1.17690468686341 1.23954737983042 1.79658997440175 0.777387440712754 1.07215171385304 1.70076179787373 1.51632369106829 1.96171024007011 0.793399801671189 1.02658221036691 0.520843743033508 0.672926579904218 1.7294195423063 1.27914395750536 0.394020924458247 1.08947857971973 1.47736514793946 0.939586584362773 1.38937019071852 2.17862661142159 1.0011223258281 2.18776664847371 0.688731387456087 2.02192378946397 1.07854743364056 0.548909575899206 1.65575345730165 0.884961602619785 0.458216424392906 1.68697102708188 0.884515747153828 0.937457240154666 0.258019633014829 1.22883147432103 2.29137423416637 0.98491778578951 0.866081929785451 5.80117152367262 0.495929647082337 0.879795828945244 4.15208283687071 0.467710070952516 1.76114446485813 7.45557972741319 2.62864851983673 0.904256382267252 1.95023330540331 0.412939033108612 1.69425845780132 1.1252546372812 0.821457947373681 0.629740097012 0.349881233328465 5.70195330817069 0.318256243898314 0.457824379069392 0.622544912251032 0.21879972633699 1.58500080715214 0.874714614065971 1.16877166819129 1.0724745747077 1.06720118074827 0.818137092868619 0.93053879326912 0.953623344377224 1.86642016496652 1.57723677231391 0.567374141920407 1.12290236534012 1.22652532535918 1.64657498443349 1.68470331393606 0.653962348274616 0.490487135532375 0.830159816123056 3.45843166496268 1.46740258442427 1.06063634337021 0.858510074027382 0.736076625642839 1.16400562700347 1.11683719357046 6.5141021009017 0.930523418942708 2.21910721286524 1.16452066693828 0.984794791178212 1.43959811510758 0.898483322699424 1.0430327396281 2.30729434916633 1.2140721209652 1.26001829544843 1.18526063326851 0.795744386449069 1.40690460999178 0.83193555082368 1.73852883070561 4.25057077186806 1.30486520559318 2.26935051158071 0.708372089447831 0.548532904902104 2.3834818237026 0.952839253730196 0.50213318778971 1.06372658297908 0.518222420380207 1.59448676654854 0.57043363287646 0.776541852760076 0.86574369460438 0.584631823318241 0.219291704782184 2.51980597600068 0.629786219991237 0.52528692336667 1.42890527108781 0.593433625189296 0.494968751681567 2.39152259641625 0.400678007794784 0.72017188496929 0.934282441750521 1.6166411709087 1.16535088056455 0.677392821726998 1.2727098019018 0.843965961241323 1.0247065425446 0.638695642147178 2.86640479064011 1.3784928547818 2.26779001744986 0.450975116652702 0.663502117813463 0.787111702168549 1.56629025190834 0.847002390707757 0.610314635590028 1.80618355408304 0.431534280904318 6.80126376963109 0.592957021070514 2.69085304450099 1.36381037305803 0.795875068223574 0.655814954607301 0.689023499657921 0.740104699162868 1.01405982150407 0.318379238509613 0.594356084774036 0.880203248595171 5.28682343354832 0.489149569134502 0.929508713399494 3.06788533827362 1.33228531674956 1.52614019848255 0.384427344776957 0.379438375856158 0.767886106989938 2.66933667468694 0.92108358252554 1.13278037006004 0.812840637419573 0.459776918523757 0.735115730242069 0.785789510097089 0.898421825393775 2.06781615380476 1.40786550539255 0.901219952800818 0.872915817875729 0.605317979506023 0.530621814631746 1.50294033992636 0.456002521389532 0.454657267828453 0.733055570502817 2.24598922259719 0.743648481400909 1.01561262847172 1.01494384527278 0.896192548063988 0.784628748452958 0.374364848140091 3.87876574907562 0.645314289667684 0.9988776741719 0.693236065094898 1.01840306871555 1.01615072989615 N-formylmethionine 2.23549322212812 1.14094792346153 1.7432654883404 0.816008282295184 1 2.08856765195183 0.163827453687762 0.516317119854975 1.40359324364607 0.0545343225385427 1.21100167885124 0.892691709272487 0.558604542684363 1.72777312918638 0.57695825320506 0.0262592300860972 2.17832090622433 1.83848621934715 0.964618344065516 1.88482962042959 2.18631610741151 0.61511637318497 0.914892704964103 1.94077797960843 2.46576545097306 1.73692714101476 1.66434284099533 1.96171045978188 0.867067865016186 0.838472400480897 0.561664998532098 0.681795505033029 0.510493736810386 4.3337388747551 0.947915283017431 2.22749897626134 2.20352894444182 1.55654273408782 0.553999666307707 2.79766985402842 0.800297037600155 1.36762974959817 0.962916415226423 0.987840419082687 0.842250036070831 0.762415639282985 0.945559270064931 1.74447918371661 2.37981070582254 0.691438140554123 1.49796410096349 1.00377887719866 0.574905112439063 0.160051569907447 1.05869956194475 0.648400543170302 0.731255983354178 0.740443011155337 0.181296645917445 0.734154316654194 0.614749872292436 0.784286140943629 0.862030507709064 1.59203722311803 0.568967527148124 2.62118779810389 0.697589874754555 1.24140697812732 0.868249534542793 0.746270949037903 1.038132954014 0.488540559348243 0.863645926747219 0.946345406357452 2.64353607746095 1.79890942391766 1.01100096010754 1.27940791982835 0.934891804331231 1.15621331685587 1.06281549606843 0.467445110487577 2.1418156621229 0.869832890620377 0.494932567833448 0.619373667878 1.5112377708009 0.527756726838816 0.483179315669545 0.501997502651627 1.30024528164837 0.0161771490446722 0.257368988664952 1.08098688209282 0.600512334442804 1.79006400519024 0.779376549586061 0.381082140752834 1.00639022720962 1.62493975824924 1.61087441037304 1.44329279479963 1.4978049736777 1.41700908391174 1.44890816712878 1.56147172155733 0.449070263207218 1.67211149835163 2.09013175303841 1.74673744532226 1.50707552351195 1.70733444181453 1.29974217025472 0.715453298021854 1.85816692096025 0.757471214091711 1.02463761432573 1.1601812071863 0.718960431733702 0.561173061017199 0.714526243038429 3.96631924535666 1.14387976468954 1.15056944411733 0.766761951715952 0.550556262677982 0.996221122801337 0.6449555561845 1.4286348759114 1.28577974052356 0.553236488678311 0.501221658173611 0.913640790735942 0.695078672015507 0.459469350085768 1.50938959841934 1.56981917479836 1.22938970133748 1.4310819527293 1.39646464296607 0.717235761126194 0.784877128599587 1.86956985559199 1.21403866832629 0.595369989741832 0.962045965222771 1.09467182867137 3.24432945760752 1.99942286670972 0.699125334310792 0.596274481901152 1.28210160435534 0.680092206741178 0.471415771691137 1.56644820970918 0.732295060780092 0.774117828213386 1.13722254406134 0.509810969055483 2.74879758949871 1.28863096898027 1.3952407087181 0.191670003259734 1.23317629739702 1.49928976583945 0.406073437242395 2.97473102243833 0.697177410496345 0.644466694995546 0.805946056245954 1.66985521594107 0.522634174088813 1.31995489810213 1.80693703923101 2.453902665956 2.21820982199317 1.84440636912899 0.847393568288861 2.5543076290648 0.93110520827169 2.74265100120553 1.04680420357288 0.840393551069864 0.185826231816392 2.0434575825834 0.47528628562279 0.634316195021176 2.61252169445226 0.468188892005022 0.639040533717667 2.19031267126223 0.710533810688802 0.963935700701367 0.794194387438128 2.2825803716493 2.53467718041491 2.11928015090967 0.348765447370333 0.289840455104037 1.81085663720107 0.618053940587334 2.26670643529348 2.06820187552486 0.536233619439179 0.559930918174335 0.777013390640268 2.27640765798084 2.03755720616028 0.517354473248111 0.732844089499994 1.01417875575525 1.49008690447751 3.28545831923982 1.45014199735223 1.65730236895799 0.891607203399307 0.754859072402717 1.3608343811522 2.66053142575871 0.703818797563769 0.828343023802394 0.94531741242408 0.880229206625791 1.58180003439841 0.689709115717402 2.11888035350008 0.784451205814717 1.36581364017719 0.775276844862178 0.59980734514926 0.859231925841935 0.535049664932166 0.750833389575461 0.755463122746315 2.68229584256216 0.53061745543199 1.11434938216456 1.51069982557354 0.245134000414443 0.352729775149583 2.29181292093769 0.453704350607286 1.52831782864881 3.24562385120095 0.06081551942293 2.65936567984659 1.29756307645294 2.37811928569266 0.863095710510258 3.50557331443334 1.68854079685166 0.438481965277397 1.21643824446187 0.693332626100952 0.886078519815404 1.23892783834885 0.354883931093135 0.565402996778464 1.64365779795941 4.05200889291941 0.645273414917075 1.18325149691473 1.48058399713888 0.685268593597819 0.871286807338618 0.96787192391024 3.24875375032731 1.81299891797404 1.02820174885637 1.92028910498621 1.19875215707526 0.45216849521203 0.644055418254394 1.19589419935522 3.24629400666078 0.936524640286239 1.06638873489652 1.31548389637805 0.747782262413957 1.02791555724535 0.92289431949236 0.504045177898962 1.73135197431638 S-adenosylhomocysteine (SAH) 1.36060183251424 0.701718759720235 1.26322174133288 1.19304942100726 1 0.175804057837064 1.48047954640385 2.42173155710388 0.757271846644686 0.845573793802156 0.34364085564729 1.43752832754193 0.696039920727318 0.524057303840104 4.56950578992739 0.401620113221297 2.74582529793909 1.5335486967109 0.799609857540236 4.68078081814385 0.352376847400087 0.431507336277917 0.502084018378465 2.75720075006888 1.66735245238751 3.19872381646419 1.39500813167086 0.694364707659767 2.02914515254659 2.10452085351439 0.373816908543142 0.708366289558579 0.698261688721417 3.60213467468873 0.54465753668139 4.35462265528825 0.678245784511564 1.48515152508726 6.24542086327719 2.68292552065791 0.980300397330464 0.693697855965471 0.55584534813362 0.823669330440044 0.541776332457994 0.37905862785367 0.627811940182838 1.69869056809612 4.03988208257201 0.535987767110099 1.14847282623275 1.44500713883317 0.479324210331784 0.634423185260918 0.729955378566809 0.61268178688422 0.540136934444945 0.498520070702765 4.13730405467839 1.09950549794479 2.83740450506574 0.725180259263344 1.34182640861548 3.14144427984226 0.665142523301807 1.22509530863903 0.41804053188033 2.06616014235936 1.03267171203825 4.3713266306794 1.06913192384847 0.514425212153007 0.612312177150369 0.706777271385947 5.40952460438345 3.94033187377232 2.31803129163698 0.784067435892086 1.49006971912641 0.277475565517796 0.721639159555157 0.868028459949507 0.60675014680064 0.775977751878601 2.20357746453684 1.46077516699504 0.426654823257991 0.562909663208034 7.27335322469589 1.1923550399566 0.612306215703049 0.786219518374671 0.135205625221691 1.41425799355568 0.506824366819777 0.303205172151695 0.857876115163239 2.97095284793242 1.72067638581295 6.20106769521505 3.31311011687418 1.53533498862854 0.737377380480433 1.01035205327149 1.08616377884223 0.777891376468379 1.56154151104805 0.995275552998757 1.48329751497069 2.75670439269246 0.436616401730012 0.455675148812629 1.95332782893031 0.550366778046374 0.693542858335147 0.590445588379947 0.195183746710026 0.528589610985755 11.1576176864219 0.446977397172486 1.30704732494955 0.52014224013306 0.366319014930445 0.784586081808942 0.430726491777674 1.07893850469017 0.429742852969844 0.419495125026454 1.04842185585817 0.441248446297792 0.292158610267401 1.88545078974273 0.303771509647112 1.699954394928 0.803233489026466 0.244592222099681 0.454542473821795 0.238684427805383 0.61467887173648 1.75346434607394 0.629349993591444 0.525579080089064 1.12501453102784 2.35471207699805 1.21364932978429 0.281118009830427 0.443454181806259 1.08721299357058 0.54591953834552 0.736721621275213 2.36088813642176 3.10818536524297 0.621737225363574 0.488367725916498 0.728894240943816 0.538753878666663 2.34723642205855 0.676630232287795 2.06686359314314 3.77547997102737 0.648402779226741 5.30220662972557 0.777664841470212 0.45702839735431 1.07306051763247 0.419972040812068 1.52632724172775 0.926176417110546 2.00590183284698 1.84356566087115 1.87514940877346 1.87281252142395 0.690466751517934 1.49539329158333 0.40019195860371 2.61993090682556 1.09130850787954 0.601665032236526 0.456211679071445 1.55117455415826 0.590469434169228 0.32286006396633 0.675336598219316 1.31600738027178 0.394635889701302 0.50033831213542 1.4189615754913 0.368286292546104 0.671044356148786 0.610529704401635 3.50145608350795 1.72310269487226 2.46270369520312 0.969039223342643 0.980902503509802 2.29669527167806 1.14807937070962 2.49875852859557 1.68692863253341 5.71673586913431 0.7032480945724 0.784019744313524 1.63107583259064 1.46884100521925 0.42565926155552 0.494025139423349 1.06030302036729 0.773330869268441 2.40782857262086 2.64628050398076 1.13778991263499 1.54606559380486 0.802899647976536 0.98876565252512 1.4819144591924 0.849387014179303 0.6972806858049 0.392513614455318 1.16308433361452 0.741860388865209 3.47250133387384 0.970899194906539 1.88656558039161 0.504254983024779 1.78698556435531 0.723248750331606 0.438893674606321 0.498257767020677 0.316075936915964 4.35513533975779 1.10224180226475 0.388501560408836 0.274089463439934 1.68105660692303 1.75197994569122 1.43926626506383 0.409426240502669 1.95514010891564 3.30211720801576 1.3759497330762 0.460629111535699 1.30276104432634 2.82442047280239 0.842280968973648 2.37014030266268 1.42132230863009 1.699805358745 2.13715501849539 0.619078419858773 1.02160726581199 0.377103273132651 0.274578302120189 1.2314084813511 1.72737109115351 2.03394448104111 4.45635475380713 0.225980583566078 1.05941476471658 1.54526079841664 1.00472444700124 1.66121094879415 4.34483992023584 5.17228880827687 0.504105946841774 3.65341933714667 1.45811040004292 0.50461863131131 1.36359761422878 2.82264396150097 1.16245242019858 1.79278009115053 2.69164115664001 0.644062845577649 1.81068827890035 0.842823460679784 0.332326842310776 3.60945366316034 adenosine 3',5'-cyclic monophosphate (cAMP) 1.45499588197613 1.27962035741833 2.32599061352019 0.969513550259501 0.938700273227616 0.939249343077144 1.09420469846914 0.871164681735584 0.702534872471991 0.840926620736538 0.605336436013753 1.00953028381682 2.36182395774777 1.67198305727322 1.17689200318983 0.697240270351536 0.98986835396703 1.54495182565725 1.71721595440106 0.846247369040304 1 1.83598499209078 0.797811564456878 0.433327205006162 0.97057722032698 2.04562199116159 0.880790418020006 1.20316766422215 1.51943020175815 0.631762438801844 0.3892304863849 0.664950735058798 1.49227490313838 1.01114674619873 0.59635432625852 0.592595618926998 0.844143021537665 0.416862432673517 3.49365037212564 1.06863045506234 0.697281065511818 0.816987722917901 1.88934964830211 0.727541383231535 0.666190018997814 1.26430113237868 1.02750257049279 0.767920250035749 1.60609836646035 0.821835910635371 1.25422343880865 1.6366582912862 0.898480855786843 0.970672549860751 1.42017853859825 1.00331610592473 0.373664535370662 0.688497129900108 0.508950762295808 1.18037028714617 0.505151199449812 2.47280725049197 0.940766313266466 0.996683894075269 0.629978414669853 0.516822258084285 0.797445168494951 1.38282297986504 0.47553095145684 0.57184101757468 1.14099918969896 0.495945090188548 1.28679890234851 0.838450486521085 0.764107068684929 1.5599997276299 2.76756616891032 3.11799753505063 1.89858299457303 0.707617510673503 0.677261863420015 2.11801796280786 0.886823415657195 3.28558685541914 0.538952328423862 0.939676832880518 0.448184993769534 0.717000660497484 1.4640437426375 0.677711274079219 0.94797050231855 2.47060105271042 1.67035047222166 0.924138118875929 0.480651509270797 1.39808932377314 0.426885652224242 2.89536221818207 0.695973689048679 0.648213592629665 0.784221600310502 2.14977631605826 1.1750726887695 1.17038792310992 2.05945839206314 1.18979429248463 1.78014285811561 1.03435267841944 0.62762241333524 1.40559311993136 0.703627288759967 0.882642534676118 1.02170108743761 0.59857414254489 0.754042993619731 0.462402712806161 1.61140958334185 0.645517128674443 0.547518367958382 0.684425196957626 1.007714882983 0.986006986292975 0.607739396291681 1.05091278028585 2.16854261570622 0.863494916893074 2.17377212155877 0.640110582259174 0.764951415984039 1.27480099959825 1.49764059403918 1.34921250995853 1.52833670391328 1.98798847874492 1.51622985312443 1.25867668988622 0.629202159894865 2.65665706562077 1.2173990017636 0.713051294098421 0.773762588605397 1.96945369367897 0.689218910655799 3.43588067466073 0.505491662070421 0.538407588230888 0.589150137206436 1.1281569396496 3.28098380078851 1.48700454177136 1.30169754662636 2.78285974982807 1.24019637883957 1.43299355163797 0.481918030219462 2.48206783377253 1.16442301799685 1.92527526402876 1.45419756364949 1.35758789042551 0.473134094607753 0.703858803341981 4.75668498355566 2.78750365997317 5.56095302296761 0.686522446700577 0.833479732260195 0.593181214634445 0.389339434423495 1.38938709919038 2.69702231392016 2.32346672658809 0.512110255415058 3.52005665298007 1.51639327518232 1.28271335090121 1.80746157879326 1.61523638319749 3.25126822326177 0.703191496605588 0.943585343765108 0.988090617531101 0.689395951218516 1.6835740404061 0.719424754356219 0.686849290816361 1.76775001872544 0.700835495270974 0.566407234149763 1.48396761519553 0.772727582238746 1.4058927270375 1.19149660558767 0.763821080083618 1.78891317522249 adenosine 5'-diphosphate (ADP) 0.47094373090389 1.35324204348109 1 0.641548027006194 0.754543597173079 1.69965592176748 1.21379284725898 2.40289890739801 1.38948107814335 0.85370276372076 0.343312534074382 1.81947883927488 1.07036370503677 0.567183999097616 0.468342228990099 2.9065844950668 0.692794774378458 2.37430804437403 1.93642297181589 0.979657060040983 16.2249139915607 0.318512365902888 1.72135658338418 6.77716080715481 2.56113221800084 1.34440804146863 0.682666885426334 0.542452193322019 13.0736245913211 0.158279455220067 14.3032248251205 1.36907661202802 1.05976753367275 0.952166831590947 1.28754761868139 0.583631991550408 1.1238504435865 1.18300271569618 1.80452798329223 4.62947239611907 0.24374441351046 0.162403416752547 0.417699366109684 1 0.401876889579349 0.269286313677435 1.81760570962731 0.492923637494723 0.328310406294809 0.681395344862651 0.325540020201088 1.26934783983374 0.48150882643984 0.62797184152913 adenosine 5'-diphosphoribose (ADP-ribose) 0.318377165788066 0.757413109021866 1.21607187050111 1.32107284179602 0.530518618259812 0.403451955496066 1.53505576297211 0.4789681388659 1.06328851184315 1.77198785482201 0.700753352297977 1.66822162554852 1.23817481711714 0.725182084531929 0.658841311700511 0.675584839283956 4.36673434685074 2.37849100687358 2.26986564197271 0.936711488156855 2.73772071894134 0.913908749753111 0.617586411218645 0.347390874975311 1.32836658107841 0.621994864704721 0.380967805648825 1 2.44537230890776 0.855998419909145 2.8142919217855 1.59477779972348 0.650626111001383 18.2129804463757 1.29798933438673 6.63496741062611 2.20059253407071 1.4662690104681 0.59753505826585 7.46911317400751 16.2389097373099 0.951356903021924 0.756215682401738 0.737957732569623 1.21538218447561 1.43264467706893 0.822935018763579 2.06205016788465 5.65382579498321 0.242804661268023 1.43736914872605 0.307035354532886 1.27194153663836 0.305273553229311 0.55478570017776 0.959130950029627 0.467509381789453 arachidonate (20:4n6) 1.80166929688931 3.27999855620041 0.372504421745085 0.836883056611281 0.87895257651926 1.72876454652031 0.210084421585331 0.522813557381031 0.959455953548127 0.378793685733532 1.2629160353276 0.844459596414871 1.5040666771 1.26212277282257 1.28531509603931 0.35104951872384 0.72725864249384 1.29900310063838 1.05674311682322 1.34490244975773 0.532448457609516 0.516312176449821 0.688250503360642 0.411073139310408 1.11509085562906 1.81048553868627 1.7592207419868 1.34810927525179 1.04054404645187 0.485173770241644 0.262462114807305 0.422318523642329 2.20633249406182 0.903191626728709 1.60412033786937 1.68093602925237 1.1412754927034 1.7519314188966 0.602400219932051 1.48455457401026 0.434386711222822 0.868572900329867 0.873216363442293 1.31276861936585 2.13528319417151 0.888485612156612 0.731078901600121 1.08735719354805 0.379095820968062 0.853667710005629 1.99392550596073 1.19291164699717 1.03846501260587 0.996278325649125 0.669721332076157 0.597635481356593 1.44199057408076 0.614143389442955 1.04108452963879 0.758415785415499 0.391227384551471 0.663563024627876 0.808807657365949 0.625464195052705 0.505639269346594 0.983474429312221 1.14889480804809 2.10653618393922 1.87375794532405 1.13667239165733 0.385030961783228 1.29352985819422 0.937636028512604 0.774858635541024 1.85044467903814 2.08849635502334 1.09999692476587 1.22254489489247 0.52132713331455 0.459359028773538 1.56545849527689 1.63166454352185 0.703499045593731 0.355519721985647 1.00060999164632 0.853440733672105 0.264387377859341 0.860842712934794 2.58059743270028 1.89543131874239 1.47504000597537 2.11525332795189 1.03039560924213 1.50833474228143 0.853603940260796 1.07638968880896 0.257138513142432 0.921951131715159 0.998129626362961 1.1220821548828 1.58972731257317 1.68579200377707 0.353374677496497 0.798511581797562 1.73571171098304 0.144131601900203 1.06082437630946 1.38130354235529 0.964956788259422 0.546459916179143 0.866690041376582 0.557026529318908 0.619614113125525 1.32827074212299 1.35296834608457 0.879696205941952 0.858409755221437 0.973964672245155 1.09584552353517 0.936396245767363 2.57220352100937 1.28929947894349 2.12947601411096 1.48110460334098 1.70768949625363 0.998272233706169 2.66254306281731 0.788689966562369 1.25281501602208 0.796858147398738 0.249300256024689 2.67659916005752 1.75215130698946 1.03223301431794 3.05958900158296 0.718205459914879 0.618446311738981 0.55167382698027 0.359628514403601 0.471905745911653 0.797045091351518 1.19728299737362 0.341587440008742 0.569998247843076 0.882802119148295 1.42872444019948 0.92258641757429 1.41503647357719 0.407222680352942 0.361330949852883 0.546661921880176 0.96840203343492 1.83517314694569 2.09156989798679 0.616387663196133 0.7541589641576 0.6067269162239 1.684831348745 1.23420672363646 0.590994105117461 1.41529729763358 1.52092674234893 0.496911947816971 1.21519735649284 0.466857099181649 1.68380511069723 0.246666989880673 1.55200097889764 0.445202859739402 0.736396187156588 0.853455770999202 0.79033014027323 0.443548521757788 1.22746777266665 1.07145935037147 0.27224143546532 0.167075693563744 0.728264088578905 1.51229949261323 1.21246126506951 2.66141701550305 0.601536614575791 0.869084834927666 0.819885985313104 1.10875648222204 1.28073762295953 0.843652984475648 1.1087917341614 1.75557702134507 1.76478849840701 1.42102776473637 1.85851098091501 0.84393857768999 0.71624714569339 0.943264836446295 1.50597767941709 0.999390008353684 1.47950664770437 1.11128123295728 3.08913764238168 0.685389201222252 1.01044215071581 1.28232240948752 1.58895793014386 0.772621694240076 1.43217670035217 1.31121978688548 1.31586636369536 1.04881627998788 1.62865402545797 0.90530198997564 0.413106139895728 1.17050465593317 1.97496534744739 0.661460100528347 2.12863935139558 0.53623555944202 1.68661325674273 0.64976732407382 1.84758218370892 0.471948904200425 0.331545167414262 1.65922539376322 1.30031961127478 0.781404665480006 0.576641443458365 0.616844601349561 0.43860279188644 0.941421033027496 2.24741926528987 2.70283051643536 0.284623340323706 2.06262665155168 0.674773623663764 0.786921020093441 1.07571655626259 1.82433584360232 0.709015033889819 1.6164820998082 0.470634447663987 0.753240191408873 0.626713795102846 0.36049994674051 0.600457730619955 1.05567007755128 1.11724099029816 1.59382574431549 0.954668313775986 0.947358011534686 0.951723311569626 0.781238949617487 0.273564360037764 0.353832787865435 1.25807748218756 0.945643939404346 1.20936353905587 1.61373744266424 1.34654247434071 1.57719107821647 2.7053108328764 0.847300632195972 1.38986969646279 1.82124825236862 1.69707271595319 0.788948183660309 1.40484967657872 1.86727950704089 1.3118928339578 1.03120051224353 1.53106197407551 1.95385519916073 0.849877833470022 2.85328172141704 0.312815111142484 1.96842204657265 1.54675877008145 0.653397095507608 0.991189841907629 0.562162762526593 1.51466596983339 1.80707269293625 1.83732196450352 0.549462228734449 0.61324342098471 0.658008615747371 2.34865224857462 1.70505530821096 1.13321518622045 1.00210453589585 0.929964116102158 3-(4-hydroxyphenyl)lactate 0.885005431701121 0.998554069275245 1.17579431707826 0.453077376418767 0.795723489077318 2.64375931930671 1.00144593072476 2.06930689096092 0.400753098020236 0.529071690632086 2.87270412462851 0.809059958604677 0.331869166559739 0.369893309462904 4.39779169576053 0.331168500989674 3.65264327210186 5.31604637178315 1.74681780947769 0.398069478025358 3.15106938425448 1.24739293077281 0.317088950569742 0.595604162329891 1.45882602413193 1.34829108411634 5.09600507602197 1.90255976217348 1.27247676834051 0.792854740168814 2.70644901358215 0.20368122330057 0.629621657355107 0.429692386810267 1.44543469406768 0.881552443473074 2.3873278638408 0.449324755778567 1.74677845412118 4.71423582000369 4.36070205349149 0.558185140127486 0.43244662794768 0.598303965442742 1.05536004257456 0.902057577564251 0.706986390565043 5.84160880269132 2.56868961462543 5.34974678755266 0.442463379192195 6.294540014068 0.707314020821436 0.10038761446794 0.455387073518211 2.29897745612683 0.958365109304931 0.430675513869157 0.701949933531009 3.41434871637758 1.8446820836788 10.1195916607057 2.01111167816171 0.696733490776724 1.68575188042066 0.602889631035891 2.00228973102061 1.20594944617997 0.49887686759999 1.11182349025397 5.98816225811937 0.972473806122294 0.400193410206646 1.03696299572997 0.899567016888881 5.71110372934383 0.431852162243893 0.492544984850099 1.25912848532091 1.01227732557101 0.623773929994819 0.428923796229696 0.486438456463638 1.00171040198355 0.461048724516636 0.664527544101464 0.930611162357045 2.16990242557227 0.495382158650795 0.750897612608529 0.400417482502675 6.51919751182976 1.09780420729855 0.375294172432937 1.32227758363877 0.979150937216084 1.22983047429546 1.62504247365227 0.3196315205948 0.858576261670122 2.43241163991475 1.1409841546395 54.0120008125826 3.14144739454127 1.70906904702193 7.25301248617849 1.61472112800757 0.650559585199086 1.1248278721122 5.33256352768041 1.72981719869431 0.840938116012708 0.922189840600146 0.626788111810835 0.537138059965684 4.30144444330483 2.21009515586962 0.684075060331611 0.689081740316338 0.537286076714943 0.632100875048222 6.93262483531638 0.523577674425684 1.04464278624512 0.768401182545885 0.377186255774266 0.85157704215967 0.813584877163055 2.39553272299205 0.649021187032294 0.724500010256539 0.620231825908812 0.653006307440755 0.24962137654667 2.04536334948132 1.41593802502728 4.67215137857813 0.671594795898178 1.51240520145497 0.855069062903024 0.565373774757135 2.75007833018248 1.21124268890726 0.435772600284139 1.64400970963407 0.61137005196426 5.16574133107381 4.93442717393966 2.29812206902849 0.456385555881265 1.08467029527584 0.520888600088273 0.723567575043127 5.30321865915932 0.565691727472504 0.788103663503462 0.600997216838458 0.58308516368444 1.39087393820005 0.5525722490473 2.57503994260308 8.38180455205061 3.7227518906772 2.68477523456043 0.885207324360075 8.11663740520146 0.682088393501721 0.528284764208781 1.26533617296098 1.90725466523649 0.570227433794039 0.978256426383524 3.73062088952649 3.26291794570122 4.80230231182394 3.00343734677227 0.4894412651011 1.66835339865315 0.948212417558931 3.66169938612959 0.413978943325011 0.623620371405828 1.1716883041044 1.28457500044666 0.662802170879237 0.575927836313575 1.0484353484014 0.512777497285326 0.534821116030574 2.49124811163879 0.426831875801913 0.464740416918393 0.645187970932306 3.92051049773331 0.809316378502029 1.71513475603664 0.797177888423411 2.69682488977529 6.75704859978389 2.21072944837685 1.3124030591617 8.85235360279137 10.4188467464603 3.4662535873073 1.03852136933401 0.723245279841401 2.5948593398362 3.97964825529651 0.302203633991097 0.842655383260402 1.11244756757901 1.12759631055742 4.56827534142696 0.695246458019985 0.416078390729147 0.639658124734074 0.358764436078932 0.568053130196509 0.996379110804371 0.680010865314436 0.664833255141008 0.727889713749917 10.5725911525108 0.544348696526209 1.33711081396557 0.373035541886052 0.682125614813354 0.820429214660102 0.453297634511203 0.30178758244107 0.139168540415066 4.43951400381543 1.52780332722132 2.17986351027738 0.450832797897873 0.733834164002724 2.10201890048576 3.48818169591545 0.989643997178459 3.24551983614682 0.238813920572037 1.67396529716503 4.06597758714584 1.86064005932912 3.62374435973058 1.091351810213 0.481405886988819 0.508197869816064 1.7545586181067 1.75568725098943 1.07155019649544 1.12583293024031 0.508287407749047 0.631970848599585 1.45809562700871 0.251305806326101 0.627046923997721 4.61283624078649 3.57516471671108 6.45654895743933 0.866660110201551 4.5341201560185 4.10154470097556 0.627809630030088 0.625736775185263 0.383477277795387 7.94290627144361 1.57242163011479 0.964896539642186 2.34103687655957 0.654875809853027 10.0459133150392 1.05627039314307 1 1.68267301623643 0.651284987205795 1.6133856687032 3.58164321007179 0.607269959059866 0.84017313534463 1.07090027103732 0.2863858586146 3.18702137528942 phenylpyruvate 1.03927230449616 1.96896144243048 0.79885451807803 0.601692492423809 1.19596127089409 0.847265900470772 1.39657308403377 0.637343473040197 1.0496597861513 1.01991728133875 0.816903958678789 2.34600796691254 0.835096346274801 1 0.817046905674043 1.21650751901195 3.68732727238074 0.553252520632016 0.868288638572817 0.551356090494978 1.66965902376732 1.32203691926291 0.977100659070011 0.767016523334805 0.945884964534985 0.714550175603472 0.591178102834366 1.0815229499763 0.53976497085428 1.0040872872808 0.944831748783738 1.28431559204903 0.713902042833475 0.66972369289849 1.61790952876697 0.977781198478508 0.969031406083536 0.421124267306158 0.527823124567068 1.6227867278612 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0.412295451393704 1.00169012619609 0.351000208015532 2.36910622659825 cortisone 0.835092353992153 0.669545894360703 6.10563929669937 0.691029066740883 3.33570881634902 0.568561429212096 8.36427373524276 0.578462319369319 0.415603779815508 3.16397321885639 0.350090053974704 4.08679501581172 0.164842755233441 5.63227407555882 1.16667555910612 9.07417015514663 1.43219995587427 0.510448135688051 0.312479361128696 1.37226395259801 0.376380911729801 1.22652215731543 0.358721968987978 0.359685236483612 1.16490764600785 0.286283676509396 15.1166548661592 0.796679899577922 1.29427677789907 2.2897156774669 1.61163523314156 0.787606867087007 0.42825016211145 10.8136734684492 0.333801502002824 0.0891838320847303 0.300098876487171 0.180565941419131 0.436910822606384 0.0865845301987188 5.62040442782706 4.76737719770239 1.0422170407877 0.622794939363419 0.409367052514912 0.226131905832793 0.716963985964138 0.955305068454722 0.385541038341083 0.176204338608279 6.23348831647834 3.07022438064228 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7.8680614452739 21.3222874872992 1.58959486201964 76.3504209807396 2.67826113121779 15.3253685680777 39.8712460917928 7.4187281847165 6.88160966352331 2.64395078108162 5.53396186541492 11.7399016405373 41.3136607410269 5.99365939747132 3.58776426758029 5.00044995115616 14.9980819344961 9.54180836979127 12.3366040513798 10.5010944379599 2.94021177794386 flavin adenine dinucleotide (FAD) 1.28883991917818 0.756579850780428 1.66003177945321 1.14203977008939 1.29830182633771 0.483956607314505 1.92756769481263 1.02897422987138 1.16906538328244 0.303251835819236 0.751623302316761 4.34531710793898 1.07721884011535 1.41168123769854 1.09625381713082 0.550386126895488 0.632921159492313 0.388552857862145 0.639433985705785 1.58075969894526 0.426701279678805 0.341210627153777 1.46911965683422 1 0.199700514617895 0.994794970214936 0.986045812108887 2.32004395604396 1.3298021978022 1 0.778681318681319 1.64287912087912 0.824967032967033 0.624241758241758 0.653010989010989 1.62384615384615 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1.04874447698111 1.03452482808151 1.11074863859194 0.97275731926738 1.27627591709109 0.953817806967362 1.137057000433 1.06454224125858 1.26774034249504 0.806418717173021 1.5199978559396 0.728312098734408 0.794569066045761 0.939386902667985 0.668242407587096 1.19509984707532 1.29675960071799 0.74820696579031 1.71816319462688 0.97151562335907 0.89204516095337 0.800113514437129 0.67415438995764 1.12496234483568 1.14597140202737 0.930269609340064 0.90992764263861 0.987178874164766 1.10563631927432 1.14815847037603 0.932024682857642 1.1496355180491 0.864443084364645 0.666373898243656 1.05724546029857 0.878605103700474 1.03924059263168 0.941934826133074 0.594064134195783 0.929323169921991 1.3036206025191 1.07468225633521 1.18650945814281 0.697887291178251 0.819977733544377 1.00614167389197 0.837254896482452 1.74247692749455 0.732178977276286 1.27904484808594 0.65167971777082 1.06156235429859 0.983258602633837 1.27929672175705 0.81853537115845 1.05970093080142 0.972773379255167 1.18640214680004 0.922167852876767 0.632689616103062 0.665185356627784 0.832386426064742 1.3388715642647 1.26174156160259 1.80375669479294 1.0575431099448 0.83007039732563 0.793248513597315 0.790524938827455 1.05722465036426 0.998807342124883 1.13873232645697 1.06976414514635 1.10075887316763 1.07629092836125 1.7473358368943 0.761203346392184 0.911324038324252 0.97305535075081 1.04296554147155 1.02743770708396 1.13976192591779 0.91158614732157 1.58866943175659 0.760571092067014 0.672467705920974 1.12763929445853 0.939079098550646 1.29306300957728 1.14301864369176 1.17519415742991 1.04172440651962 1.07695982822596 1.1367631927577 0.965936452928247 0.913605040173131 1.45331979724177 1.03294441858547 0.617305773415776 1.37225684698195 0.757939220125306 1.4235156975941 1.03283048060693 1.14667613075651 0.76325704678069 0.810591526237923 1.21073046762857 1.08457334759758 1.11043552008989 0.620244604945319 0.952802909979879 0.870632954855237 1.32345443519943 1.41793488917064 1.1644275428553 0.821936582785394 1.32973514193728 0.703132638013532 0.714495272612821 0.866716045967669 1.0875447374224 0.579804770358063 1.67044612937671 0.871802175585842 1.25252726692333 0.73869893152425 0.854338384006898 0.912294735817487 1.05911460178183 0.998102718236554 1.26606107584921 1.06747503651058 1.14986057684454 1.25368531146847 1.17908190084114 0.854258363385553 0.593678119605314 0.960745773807037 0.859665152307012 1.41898082909745 1.26206789585013 1.4398114089248 0.722401296306598 1.59415748817003 0.936503171756094 1.23881397632776 1.14761544022554 1.09048668090583 0.989917359155263 1.27600234756145 1.44392148836525 0.772985186403906 1.19891558535161 1.99040452385309 1.14957965143583 0.545426870293359 1.28381109948424 0.764038245857577 1.6497365729873 1.20052815621793 0.904190239952714 1.17589246997864 0.989633174783409 0.981525137542965 0.752805677313116 1.14737699778455 0.552669416442871 0.826798499685094 1.18453458257138 1.27487917515996 1.04179295190772 1.18983785182835 0.81922931907966 0.910625053401597 palmitoleate (16:1n7) 2.71725165715361 2.48976682666131 0.579553185161956 1.36905647207629 1.02015325819459 3.10065074915497 0.283112111135581 2.25969770930484 0.979846741805407 0.185760439710336 3.96882019240833 0.553822885824047 1.8738651220265 0.39096717541016 4.25471713038422 0.340094483880096 3.75383844420969 1.28730803396684 1.71430347573153 0.318667723972568 0.185147223857179 0.797157077071608 0.644301835664301 0.205057052306302 2.92839631444611 1.79141439216896 2.59370126064667 1.42362238245099 0.928637134142929 0.627171756567557 0.542862481922925 0.231857967753905 0.61230813111948 1.59121515439467 4.38168656584398 0.473560657251429 1.69188267465521 0.47770308718438 1.45490962989936 1.75854843462953 1.43007145797202 0.139788451119099 1.72097784540157 2.48551481023266 1.1248277219685 0.64989346624327 0.245161593967672 4.12400022707974 0.794407856454139 2.06178410930234 0.806595046805328 2.72336814865082 0.671330313498134 0.383376294158369 1.18108651933645 0.375628383966092 0.706592374264428 0.16822130287694 0.378129899075508 1.03891849804043 0.626603892314144 0.168771429835253 0.561245510910586 2.40442231017624 0.751749395507468 0.15950854526338 0.537112078721705 1.35863475185323 0.69278302183943 0.784387940702909 0.969725134447885 2.24250467016321 0.242332123215956 0.285757304301846 1.26416264798701 3.9501460274581 0.572848743713319 0.345441068212032 1.69499749520279 1.68674455765315 3.06261312871309 1.47011438773731 0.142060598024461 0.36638633957621 0.281730467919087 0.805886995522411 0.122865067330636 0.736034153331113 0.465448117864228 0.385356099668654 1.86421476526894 7.34758830443434 0.922329887755175 0.49396964766736 5.62273867461364 0.528585519762826 0.694458384009632 0.667362292366173 0.725268196083901 0.93110816952592 1.05371520898519 3.57560818825642 0.508797769486343 1.60765695041208 0.378087993230348 0.15969686411421 1.33050001986632 0.379988205567572 0.287531115929276 1.90645271391522 1.55008774393903 2.08149371688916 0.865339462859664 1.17069388824644 0.628026402583897 2.97934584755272 1.32131609240867 0.629713308044245 1.377565039278 1.08080441335655 1.20390950203555 0.373321238680009 5.46191397215783 0.645221220277632 4.96062462324714 0.421076437467223 2.51457182249642 0.107117291922257 0.853876482714901 3.15016405249076 0.24319808367922 1.03916897902312 1.20046092896016 1.10684524803992 3.09656001666373 1.23156497377908 1.50485574852168 0.616577065733085 0.508241009342935 0.603573266690745 1.96700160871986 0.442239452975932 0.380846415536023 1.52434161652042 2.13846951579663 0.470341315191746 0.49496149393564 1.05744660444802 2.45404035031951 0.740627766942739 0.739923402445348 1.285967519226 1.37261136083128 1.88244835119097 0.0821531887571299 4.13753185231883 4.17732251071356 1.13483850404933 1.47334822196207 0.252739947362345 0.539267125174509 1.63572879502543 0.695240682542463 2.44018144083356 0.283182443867229 4.35950281652704 0.321231088528685 1.15480032916045 1.09024032780925 1.49572266370423 0.322347662907574 3.89416216400176 2.43178184965281 1.01470368565602 1.64052534169706 0.142999769197298 0.906582617155403 0.328964859031881 2.92289593805965 0.665857259350743 2.42464950475857 1.23194835572373 2.28065924891084 1.16997039823362 0.244581811186395 0.991369320059195 1.74945076381854 1.73986916664996 2.49677137918612 1.0086306799408 0.947227877819743 4.79799698338997 0.232414872073822 0.525166580635361 3.04800540296652 0.538118184150436 1.22490237180328 0.951896499259582 1.41097930366743 1.69882687401624 0.779221004177481 0.206724445236901 3.45726203127706 0.268511172813213 1.29646640243161 1.65784722139986 6.93137628852134 2.69566873331805 2.85389623924108 1.59918371438636 1.9349928189924 0.378140282988554 10.9061140807295 0.895279913743353 0.451499894274147 2.01648933252124 3.42299352303213 7.74395785723133 1.05064885679465 0.843840515732665 0.450796456941898 0.322625475910943 0.743115913037547 0.427201150728046 2.02252751653874 0.647491832564829 3.08716381382145 1.35935281349083 1.35329513376492 9.83136313699511 0.540689993858372 0.690678878603858 0.597719775315579 0.229119742305302 0.657206293676067 1.6052252907177 2.7650541563932 0.140430905888931 3.40402217110988 1.78831240610691 0.948141626831133 1.32047101756017 2.21201027092005 0.583140150581463 4.44690751576091 0.54459926704735 1.98481477488975 0.737735079009173 0.718544853853807 1.82185023249907 0.694767283127018 0.241418833580399 0.0737340665313766 1.10090862141797 1.14872886479419 1.33097235245291 1.60648377689218 1.65581044823828 2.03391528188376 2.7235819249997 0.122458038468141 1.61758013137265 0.947313804658126 0.63285822864637 0.370870241450588 3.23511357299725 2.09598105756183 0.208468590945193 1.59941204100199 11.4136133714209 1.13557591836622 0.533177497794565 0.876499128752929 0.935629649353 4.8909147546322 1.49021205852726 0.461817446862742 0.972379959931238 3.38216002428634 0.935551493201774 0.433594415436997 0.779456221430594 0.0978088769794255 0.406068910034714 3.10143219544355 0.905343547602642 0.626516175087901 0.408775919266464 0.119556866384587 0.616361599958067 phytanate 0.699384675095911 0.306671841645643 5.25051993610891 0.737229097314485 2.52742211407843 0.618405409843407 0.843638209258236 1.28107181776113 0.595684067533476 0.852974667482721 2.9289560972697 0.433680156443595 3.97471226619296 0.441015689142994 0.523501470390661 1.9390395438057 1.43303169177029 1.08384779590679 0.81673528489752 1.65727328367344 1.75723417277464 0.939198375852752 2.01071101225574 1 2.37208019227037 0.219311827314932 0.509804893340698 5.23446715132335 3.26765170401111 0.451709549637887 0.590674889924803 1.22901594322558 0.827766022355805 2.60863011097088 0.514097302568399 0.424044275214258 0.353864450930504 0.998223442212037 0.694510449904168 0.373516224053704 0.880377993311307 1.26217224933228 0.869193356562825 0.977558802177125 3.05972816914877 1.30534947275698 0.527972501740865 0.574277221134977 0.321167706247045 0.675938349808135 3.11346884020004 0.375602298884634 0.379038503758517 0.836625375279313 1.33437457488548 1.11474300522462 0.879484730896616 0.436080151175774 0.901704768151801 1.33223785670896 1.41041070945131 0.716166945249964 2.77761456373317 0.499152666789683 6.10657999830291 0.433232271125077 0.612201005593665 0.474232908207589 0.451728944961728 0.562117430604474 0.50918543680559 0.314222025275878 0.583460368214836 1.49974503230534 1.13915740786884 1.40617660250496 2.87328469237535 0.855599389586058 0.451149779041467 4.10622764991979 0.575163479682725 1.53889287720201 0.327901654932945 1.03587946344992 0.831133804837248 0.66212403040217 2.04793015528381 10.5784008824872 6.88494235952196 3.83036526513004 1.93005884595129 0.701331138788358 2.83252811311784 1.64207276748374 0.712254477423978 1.10340967099335 0.386628001729416 1.30454402805857 4.12042502697162 1.47941280657071 0.485450948013798 0.792801102300905 0.638298491340123 0.556993832556398 7.12182930229363 4.46522701283728 0.470031665559966 0.670196256433119 4.92213774181861 0.699538148851029 0.351810162880313 0.991431307554613 0.359422288729027 0.968823902581599 1.68631350116574 1.09950636207029 1.34975668296862 1.44638257006898 1.25640375676648 0.806396685554659 0.537769295316703 1.56255571104739 1.79637657637515 0.794301546103628 0.95254745456578 0.65940114243845 0.462954527393875 0.685734604624977 0.629897622321863 2.19520154300576 5.01010792689579 1.57106756441874 0.79587903244272 0.745602042974111 0.321246903819397 2.69168088765932 8.63953871454798 0.698894331851297 2.13891361942334 0.409412119652985 1.50257782710416 1.01214928473009 0.736956577371853 1.28979819434923 0.79379780644275 2.89378070084464 0.716715940666472 0.794378049881002 0.75373784256654 7.59235500985256 1.02117242038826 0.97176660421552 1.00395691544312 1.47111915059257 2.83686673930934 1.43174718195373 2.76779783607449 1.19177099510133 0.713730138312903 1.15552544491391 0.620498432884772 0.408181055348059 0.822811055873349 2.81489884126409 2.53129987729764 1.11471768355182 0.696375094787911 1.20262267879054 3.65475515423997 0.675022459515629 0.946671210200863 1.57326354608477 0.3924961647094 0.934926802855961 1.26616822480258 1.56953587259427 4.73066010099037 1.3199633105124 1.87336308180921 0.560511390038616 1.53334796961938 1.27119053615948 0.309036469943309 0.760678674706747 1.09309997885371 0.456389210273595 0.610249081752637 0.57959423366247 0.699582327088668 0.851886262588441 1.05256105823042 1.0957770723028 5.23107561886572 1.38630663198855 0.532606367861948 1.03033563338528 0.644232382917569 1.06990155526253 1.67119484623145 1.73806130269231 0.377086041158494 1.82313134809623 0.602560452126549 1.61720203597024 0.513617807062322 0.706299035486708 1.07134542937072 1.09357031545686 1.90891794296428 1.00177655778796 1.1263672693135 1.05039847962211 3.06275006835505 0.315177244975062 0.876204227372459 0.668554657773552 2.14030415639096 0.547700778641438 1.37914113734718 2.47140657851672 1.21164042685875 2.07330193266321 1.06571863042076 1.92110413268557 0.815369716626237 0.673153504559921 1.15475178699624 0.406906890323484 1.06590126972026 0.750790830860654 1.24951787804382 1.1019614868132 1.61683514109425 0.804173227179853 4.03611032167953 0.841942926565802 0.523258360529438 1.59671141509091 3.25177204568138 pristanate 0.728176031591027 1.17069989236812 1.31900807595532 0.650917722195691 0.86374231073539 1.13625768926461 0.314903808458013 1.34835950475077 0.571467599049111 1 0.493556823113919 0.43684717255905 1.62224410706535 1.11157744921138 2.21842689103772 0.160031813805517 1.38262710650795 0.884368714074525 1.6769048075419 0.796951250410341 1.60562557970967 1.90130890456079 0.355616216228125 1.13242386387921 2.18749876071568 0.268527025210899 0.228508606691915 0.695735319713323 1.78425657261325 1.81560771198371 0.564523200504086 1.28226380342417 1.12479868514688 1.27332112775975 0.949329244245865 1.45493080937934 0.518688407569218 1.10703891462928 0.736639413427453 2.55091861261845 1.02124078247861 2.07904761275284 0.809117166896898 1.37391796708902 1.35631241862033 0.733953746604361 0.747443769539383 1.12062367396578 0.630254840919957 0.991341533539991 0.648129176388164 1.38870345523485 1.96531766437316 0.877812073823892 1.04022111035469 0.600126462080103 0.877860543610691 0.683243333751936 0.830754520358412 0.920170261141992 0.891685448709051 1.16791476367674 0.919665734724857 1.28777173374224 1.16833336638092 1.93909550971489 0.950800963226854 riboflavin (vitamin B2) 0.392217589645153 0.945296232294753 0.571622779514329 1.9865155308343 0.608490859569091 1.01576299501692 3.26806665166797 0.374721766144744 1.48287994179228 0.761085076134356 3.10093965257268 1.88952500394913 6.12719056805181 0.42012953132255 2.22599529934373 0.520044804625982 0.984237004983079 5.55426098694634 2.94378047063942 4.95760662324534 1.78028509641838 2.69162113398764 0.552777386786779 0.520448118338047 1.20334233323523 0.252978285070826 0.922858897746612 4.89429167359787 3.67556206733292 0.629720149969929 1.86761186963365 2.32477063046232 0.641997978221091 2.66022597857938 1.51049277661902 0.307380772626649 1.19535118811501 1.78032348462552 0.5480236471356 2.03630244788801 0.304866345058798 0.568650910440313 0.593443294220016 0.902289216752614 0.919563909966858 2.62515195331994 2.80732958835046 0.608209957900933 0.657359659112721 0.593775992015253 1.58295691563552 0.59822262600929 0.413236253822826 0.892513020000256 0.653335295397254 1.10237495041523 2.6753701262972 4.5452532981868 1.86662657231698 0.426467389218032 2.16800598856031 1.79141767648978 3.03916876735467 0.579469986820049 0.631313260566354 0.4421617679049 1.23840996046015 1 0.635004926486583 0.530333081677309 0.41236612112759 5.45785614659177 0.670488425955547 0.759689823286286 0.33080397701826 2.94538637730489 0.883728518599087 1.80255665459571 3.14354630257585 0.86513583027294 2.25400197059463 0.418719369409717 0.490294181627404 0.395596872640725 0.544427951733228 1.63015521631755 1.36211595797771 1.37691461183125 4.41411278455259 1.11238147641045 0.354502296894394 0.732760495975636 0.521791705588043 0.637333811053245 0.730866677756593 0.730783503307784 0.810503013474261 1.36516782044556 1.22134000435066 0.327944055586124 3.26755300771603 0.370561363549118 9.40084326095024 7.27528183342077 0.740630078439903 0.596399186170009 0.788724103955265 2.08056405072362 0.319581824463525 0.323644576386134 1.5603398635939 4.72134640238519 0.356511279734866 0.953659035944158 1.60504293081166 1.08796017863312 0.494696029379775 2.15284264673892 2.50226490422142 0.746433095752985 0.492859793471446 2.01558561209996 1.71951656451138 4.10831872448784 1.95997389601914 1.1298737027985 0.681102765230521 3.86226311277176 0.376671486519341 3.51619982341425 0.78564664934932 2.65265070570321 0.753451739625587 0.415034101524012 0.756733931336294 0.958016097454862 0.354994945552726 5.27352877196125 1.33592880267182 1.75217213272083 0.735690795787534 0.490965975252403 1.98172721340004 1.23332352301373 0.66545317278532 0.864643181614608 0.286344035112414 2.14520979155204 2.57288640929507 0.99731922353453 1.23528132157801 0.444919320784655 1.83685651767777 0.828353529795647 0.42268615081447 0.997140078567864 0.899314130699049 0.763925322141038 6.46854726228103 0.32326709234923 0.453601453633444 2.98147769005362 0.633584562822301 3.02846485559636 1.1411406415949 1.91996698614186 1.34296024261347 1.53660315551063 1.05509987331892 4.14685408642465 2.63150520160207 4.27268423140411 0.570768659867689 5.77072003480531 3.6510895852794 7.45758742914177 2.04785090020346 5.50419711064761 0.357087102842007 6.05716004043558 0.639848238621096 2.26230661940652 2.54110737181538 0.795499622515963 2.29401527850644 0.621453889365187 0.826088625574224 1.36789978118722 0.455885551958438 taurine 1.02064332125783 1.78790723009403 1.31291166852582 0.659210525478508 2.34044521766133 0.631673794671464 0.979356678742171 0.583864725507652 1.81889798352021 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2.46728755798068 3.77812098721263 2.05144799313632 1.16869459006475 4.49774913605792 0.791153324225813 3.11142773479114 1.52024410280484 1.06289771814466 1.08341242595393 1.90479489280054 1.36305506783355 0.705735572765401 3.58093254472389 2.50007121184327 1.371373750517 1.38787666792379 0.461292090472083 0.972683136921575 0.678495048782961 1.86212931387104 2.89158708980554 1.00153020008819 1.6148544486893 0.34280925594448 1.49378406062464 0.473172504708527 1.33315292999705 1.39661464594041 0.826895972599962 8.12601989601932 2.01536580669346 1.12281935093538 0.487498048795494 0.604704767091697 1.02040988397597 0.357758046083747 0.56784893518355 2.53819404486688 1.91147057583606 0.782270643743669 3.90652562543938 1.47645166766743 0.250688476100736 2.02291654085908 0.296534091103305 0.412288087796797 0.617292742202873 0.364518043941695 0.610794803928159 1.60889430225497 2.53103526068662 1.12114558777116 0.930690937182039 0.498474927164527 0.255421500051842 2.52899689288485 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0.449644111692073 0.822579965203045 0.347542279895586 0.190920660891481 1.19827997762239 0.22955849796562 0.66576237120626 0.456890628863243 0.461281835966652 0.722977953952713 2.85206394709587 1.26188525664179 2.25420805024252 0.802299971629202 4.30790975579465 2.21864542540816 0.366740992841216 1.77295043769647 0.313227286555318 0.855038893060321 0.152205345331864 1.67534007927872 1.6160713166671 1.20765031680725 1.32042367058883 1.53272041774576 3.12933324066299 0.779932616505424 0.806737893701797 2.2988937667419 0.61429842661705 1.19779117953018 0.383938937838327 myristate (14:0) 2.53478733573575 2.17584745766478 0.701637097151337 0.95366572813444 1.05497435056 3.20126962341734 0.783774775515075 2.01984459036093 1.02041036082272 0.327723456513888 3.31337878747239 0.900173537187915 1.4794387214319 0.81095446955332 1.98476854589433 0.515535884731086 4.40909044653967 1.11934992303382 2.73144952419539 0.581259509679879 0.286737552769886 0.92585682059068 0.980567467253267 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1.58247642283229 0.810947617347521 1.85146879378644 2.46155507987074 1.35025420074181 0.47419936874599 1.54512005363252 0.731239911739691 1.99488835787044 1.41464808579022 1.04502406953825 2.0132478207342 1.17092864107273 0.912414958626053 0.700414729544805 1.71173871837105 0.435732453496922 0.88695326564686 1.21236602393093 1.63664868363062 1.14242201722165 1.14200843782596 0.742362446611441 0.819959095005756 arachidate (20:0) 0.705480263691649 1.05818889545802 1.07233910206449 0.562540515177987 1.68818827016207 1.84143737464498 0.529033703507246 1.2420055884684 1.26834145410733 0.550445176672126 1.28629605651391 0.95006442984178 1.3598116228816 0.976200250600017 1.48990897169043 0.515582256132571 0.891604821925871 0.793832007640402 2.28926600469074 1.02379974939998 1.06089856661629 0.626559721036625 0.525895044447913 0.624650201720917 1.45175861096054 6.76878390843076 3.79305184090976 0.946197587486973 1.04299248761857 0.600688357008725 0.768816349637374 0.66045261628228 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1.02733913455595 1.08183017113813 1.55691140507553 0.705228267901681 0.957141293638054 0.886391456298335 1.15548172464184 0.887735423684821 0.587429191785886 1.2599183158476 1.34244084313039 0.659158200282766 1.40011117861147 0.679012285994876 1.19437118221675 0.993970740664886 1.05070656269581 1.49923127141543 0.972356572161721 1.00352930084803 1.22454287978215 2.16043373401795 0.528631936369009 0.688104834436079 0.736898019728197 0.905265530085446 1.68269221363452 2.32487860969725 0.778212995499451 0.924479047717892 0.707752026585984 0.648749526805352 0.728068987329257 0.687889371509389 0.767755557487525 3.71699457124292 0.734906402409886 1.07946696677336 0.61743690728596 0.637450803561434 0.787309877128733 1.02652171419562 0.879773772658026 1.41063765659766 2.11204004279702 0.971298401165162 1.29103797914854 1.53598330312686 0.934748153734463 0.578231709051256 0.943396841432496 0.716727417262907 1.53425219448894 2.47009499560917 1.05862352367838 1.16225802236821 5.76828881448776 1.51143375540903 2.03700675202864 0.996470699151974 2.19684871483866 1.91567952303629 1.57935573480546 1.46815448727415 0.74675809219236 1.31941900290852 1.86497194171791 1.43246867852817 0.583294683613162 3.88413287902336 0.726680944305809 1.9870786918435 2.31770899430957 1.00834305242089 1.65958694337349 0.762448921939185 0.936629727477879 1.17880171407339 2.15689843461479 0.716577016831865 0.948273747604762 0.994052295145017 1.70365530446006 1.33336413992919 1.14674815172956 1.00711598410089 0.655126944867797 heptanoate (7:0) 0.837488617556547 1.29797076789121 1.31882141029305 0.770649580262012 1 0.767532286259314 1.20553535702654 0.745019973280337 1.28808715129843 0.749280496640102 1.5479059627387 0.842732849897974 1.80553136901716 1.7988647466617 0.840858485486969 0.881689054908243 1.64506716472473 1.86663351781391 0.899191456243514 1.43858094085092 1.34354462123833 0.952856566355356 0.921379568776663 0.958578346592874 0.531930992736077 0.984456070563819 0.82274011299435 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1.19748789346247 0.75531102271417 0.655107805834198 0.856739305891848 1.22787674391791 0.88575896460279 1.96468926553672 1.10281909373919 0.760384238441139 1.05477487605212 1.20050011530036 1.00115300357431 1.00954110457742 1.89070246742765 0.962894903724201 0.828750144125447 1.40133171912833 0.969113916753142 2.23666118989969 1.7998025481379 1.19464141588839 1.31518073331027 1.51336042891733 1.1226795803067 1.66801423959414 1.09206733540874 1.37612417848495 1.27689380837081 1.26094632768362 0.847018044505938 1.12871843652715 1.18410584572812 1.02598581805604 1.52404733079673 1.06907212037357 1.00899342787963 1.56874063184596 1.3506644183097 1.74053816441831 1.58812550443906 1.13080104923325 1.66361120719474 1.13928283177678 1.71452352127292 0.899357200507322 0.787724835696991 1.47231350167186 2.60197595987548 2.35464228064107 1.8176524847227 1.10307131327107 caproate (6:0) 1.15204788013226 0.785445109446281 1.09852927635709 1.92867701837358 0.754549031096974 1.65769555936885 1.28066462980789 1.27249654710585 0.877572510777215 1.6606035240447 0.975191060143138 1.02291884652409 0.910090821579542 2.32961787971372 0.835456409827146 1.80698279830913 1.11127610597246 0.967496756372159 1.25064412170929 0.655291507973046 1 0.73605491148035 0.73362239986607 1.03859540451178 0.844223831247646 1.53441426359185 0.687788055078893 1.15926170845017 0.877785125350521 0.928589963587662 0.873156154522245 1.01841878374419 0.882941447285816 0.724347716904533 1.28354246013477 1.01602001686203 0.583032445810329 1.1387386113302 1.00093013136066 1.40250428349969 0.979484892164595 0.670493078408442 0.826103511109902 1.00773260083222 0.891478147352389 0.776227800592891 1.20686230248307 1.53818270825968 0.741386494057494 0.834970763414833 1.01579265141831 1.19876961570889 0.757026843264707 0.882975332481166 1.32556011857815 0.756636296880524 0.742588593652261 0.79582148005113 0.710027468791645 1.00457450569773 1.22601321765618 1.11151132747695 0.841013897576763 1.1869901275531 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2.29208953194267 1.00065489950774 1.52356713535859 1.81971552122712 2.17195354782561 0.710972830373413 1.40120645108651 1.02647556365416 1.15496206043134 1.93813810546928 1.06868829720689 0.386556066251462 0.672192335935163 0.956489434034105 0.988356495961272 1.3019957029019 1.18812369115287 1.34065544344421 0.903998476977889 0.975981941309255 0.843475754031929 1.13973945443172 0.84346922679431 0.855299844978106 1.63683320188202 2.13790203704207 1.13676194620468 0.79491963338682 1.76491827354565 1.55913296526966 0.936335500013598 0.913787157659985 1.02898093502679 0.999345100492263 1.48062770268433 0.842208382060975 1.94612091707689 1.40973102341647 2.44353341129756 1.18399847697789 0.692020995947673 1.11929397046425 0.821911936685795 1.32978541706329 1.97882564116511 1.00741385406185 0.865838070113411 0.962715330849357 1.0047017868313 1.7128831352498 caprylate (8:0) 0.431841606810486 0.546452980357184 0.75894062684191 1.72134129842159 0.545175124869281 0.736632632710706 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0.758492905090623 0.786583712430443 1.90226614492135 1.44616508537257 0.803160256391765 0.443976322416683 0.485471590073185 1.53504797249154 5.58392265265089 2.85296020273642 4.77749295413045 0.553827342300891 1.88200728674165 0.647555076055005 0.876042456953127 25.2523348006819 13.3893895839403 0.606696965588464 0.725591867465535 2.71365896260569 2.5827474996899 2.53902741037971 3.84690847148622 0.483723103817318 0.755293416835662 0.580360053309179 6.22119126398717 1.88036877951404 2.05021281843436 1.21203199416138 5.76930474503616 1.10165704139827 6.55401628987731 1.07961435943887 0.493992981535062 0.401109381896226 0.484034290379251 1.26045558001137 1.24216372379614 1.09300115099363 2.39272573465991 0.612894013390758 0.447889051713942 1.33958891642171 2.85520233256504 0.60976808487929 1.62788505641023 1.02283669448475 1.31398615922944 0.494965845201453 0.517612510348846 0.502468578450745 0.586944732112722 0.765187923509406 0.568448423081028 1.00180401665046 0.590065972993478 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0.432132121953401 0.661522052057221 0.541833858828756 0.549864491413703 4.84422281967478 5.75038835217521 1.0551034596157 1.82635861961536 1.29232353594475 37.9329207256741 0.903591662652132 1.85542156944761 0.416842873503204 0.942435173673112 1.48174131778675 0.62827196623752 1.49803840684019 0.697144439604566 0.889020703461923 0.331414409632576 0.789550261497676 0.402516752870994 2.63785240165351 2.46184160423704 1.40435610704529 4.69137432678411 23.6427650386405 1.22320297873691 0.687082620573074 0.439289773464837 5.06043005045333 21.7997909316702 2.13307462419625 1.24625133777769 1.837527801256 0.914410714337227 3.40368289115754 2.82907383955899 9.16218697444448 11.6523624216445 3.91636761986632 1.69058428071552 6.99558605480345 1.40622178406898 0.998195983349536 3.07843992765183 0.788848559238671 0.476129142062615 0.555409958546921 4.63605523615562 4.3393768912787 19.6801496147489 0.566051601438886 0.32574634292687 0.689167173892349 5.20290265305475 1.59297482814425 pentadecanoate (15:0) 2.19348736084783 1.70009035148492 0.642066723737434 0.816116585042187 0.713875333160891 3.18034254403955 0.771612366287421 1.09934228650073 0.860192438299207 0.474276900910057 2.68148465118701 0.926837202873991 2.22474778562005 0.98253963378392 0.780323669820823 0.640365017963848 3.07998951741745 1.11328066137319 2.54901304948165 0.633939722954427 0.341756908578646 1.06199232857273 1.05915964254993 0.54852201986383 2.23388748143073 0.852400288865526 2.91859853141547 1.33318137730541 1.0238597118527 1.01746036621608 0.522762888904844 0.357170889581188 0.974099071384689 2.15031277295882 2.50229022630129 0.84572581025042 1.42456820319474 0.957724725912809 1.64372381231493 0.819308102051319 0.526332269486834 0.445826909326462 1.15790771087017 1.32059707299508 0.996495161343923 0.738378191265543 0.383190872465699 1.53404027264332 0.61032679887263 0.719095041030725 1.13986651583262 1.68727645063631 1.21147784155397 0.765613808647746 0.780092899298354 0.839468889493435 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1.09097002020462 0.994000784783531 2.86827064485134 0.824740459586637 1.14307294948914 0.812294518563303 0.55720089878423 0.628581044494429 1.15322363946665 2.28913573369232 0.372283994550259 1.24121045949256 1.05547919213664 2.14413443041612 1.12595584831532 0.727567447021707 1.51942035093472 2.61160915764466 0.886375919063917 1.38127778556445 0.67805010797669 1.28181682739711 1.74499306154331 2.00470181319465 0.595797047208357 0.389964986500659 1.18616892305226 1.06172146989159 1.46705460459638 2.00903638622198 1.94293643609728 1.00968637686728 3.01523263968347 0.479300749197076 0.939550303442028 1.56850610227415 0.790417518465216 0.6250845698256 2.17931804222525 1.28340500097558 0.559952665497627 1.75333748809306 2.84014558227985 1.13763027487864 0.61838920548875 1.26550189372748 0.643554012937463 1.74022201063604 1.25062905458632 0.759532966283008 1.27021703562908 1.42909176357027 1.24688470174998 0.61003756295 0.965258725334605 0.323138129847935 0.871240531232165 0.982309242609944 1.16308965569639 0.984334818430584 1.08859491618964 0.450894233236538 0.754569677850669 5-oxoproline 0.784544059146953 0.887928162188238 8.83748872616417 2.74279924833438 0.978700683613249 0.831466851162547 1.41983864661662 1.42468566437818 1.02129931638675 0.728364367114103 1.17298311419632 0.622416871830166 1.05350657136915 0.935892966704574 1.31701792974254 1.17318456698283 2.43049267616505 1.87673008416192 1.16480371615562 0.526154743449987 1.46336371029948 0.511704080897038 0.478805781361564 0.684504931814641 0.887116053327272 2.95146536342001 0.495002022307395 0.889507110453547 1.57655520773235 1.24292998148694 0.788042254555267 0.518398700033096 0.715219480180684 0.757772176680688 1.93584465952664 1.03786089888841 0.78238312429378 0.678902458331043 0.813805495279747 0.77639735168021 0.771442599272762 0.601197448046242 0.708359651668856 0.620951581450201 2.26090448371865 1.35150311705052 0.776954369020564 1.5366032682189 0.996675695525636 1.50662337721472 0.536545654818815 0.512402817840917 0.676267821252752 0.544336672389247 0.593446545357909 1.06534755688138 0.845298311912325 0.595794583053404 1.15015651389482 3.00781769810646 2.00871953032924 2.73105880446588 0.855217149270148 0.881327572294375 0.847481299070407 0.784355903448672 2.66047783598199 1.22305481299748 0.978313164692025 0.509032941957341 1.29572137903826 0.553520948303771 0.822047711195729 1.25093360238152 0.702249545499515 1.19457008568516 1.42099112433773 0.784609462619007 1.67454525208948 0.805612651526347 1.00598784233075 0.818051501261831 0.858617431180681 0.742417036045329 0.957949254975196 0.793519256404053 1.62033266075051 1.02778076005208 0.984563183742831 0.701658133222728 1.26533213560682 1.66448025506743 1.38133459051718 9.14311187397123 1.03070425438646 0.853511476525324 1.22127839355627 0.608791428541001 0.694795628411106 0.814891156019458 0.930045478460096 0.568969768920593 10.8166294926645 1.04420633665365 2.44223933012813 0.785670512539871 0.636876512281194 0.511876357052405 0.892508636083096 0.782247802421336 0.871359588561298 2.37362376507972 0.771135377980595 6.84514206708074 0.779688427786006 1.74472492122751 1.2667393927653 0.863889038472994 0.870279497242365 0.693629512119869 0.746724531443313 0.837115101751624 1.02004355512837 2.25908441206052 1.40205908259824 1.31325173304005 0.746858573854226 0.627823042492536 0.89713005113067 0.564511748636687 1.10175011898052 0.507077021589672 0.749296249119288 0.521243294915996 0.807266242660642 0.929418692835117 1.53973975526686 1.21413779401791 0.890210572649726 1.8631765665567 1.80588205344093 0.622034532741966 0.469653449189328 0.743573744531196 0.646882654072852 1.47606238488845 0.593520152027124 0.876037751490864 1.22001722079957 1.02449743597791 0.98698324759624 1.12074952060646 1.00436330249944 1.80976988545696 1.13222824735709 1.19521636428287 4.69473571950651 0.743623568268436 0.976103534629134 0.759004351636821 0.717704763423988 1.18672788965352 0.736133826257177 1.10364379730786 0.940351014249852 0.709172711840163 1.01470631898579 0.964236453672824 0.897868526221002 0.501046166772768 0.587874640918181 1.29032167506803 1.27633332215686 0.740495284826764 0.751007039710234 0.537248681298514 12.0835135398452 2.10366844575793 0.900393731707228 0.895258274174231 1.14736653513426 2.29487885362053 0.943328772805602 1.79987505681844 1.13293880008109 1.35663104833922 1.00691770981353 2.50775950142244 0.507559754898823 0.791651919931749 1.26863201741844 0.872498008273525 1.38135942712336 2.34409251349804 1.62362659682914 0.733294625858918 1.74506638693122 0.738383345414837 1.71752063385728 0.75901729677701 1.1368696822145 7.95611793158185 0.898516836904668 1.30157258240381 1.08812347737022 0.745195725439447 1.7856346499858 4.33327383837217 1.70100481758661 1.06191272950953 0.685373673701711 1.19878064305661 1.0357210230469 0.713967155244105 1.00011225393368 1.61579922749876 1.34154454112282 2.99348434215676 0.704440209426779 0.973614756165302 0.597358085043475 1.25271935436565 0.698858069294809 0.868509324583924 0.776594464018324 1.51039011196003 0.66351791184051 0.807645113798507 1.32281683691596 3.14459409252291 0.887014477746947 1.09108663501204 0.606257417348949 0.830031701669912 0.999887746066324 0.874909642733323 1.52000406116142 0.580182819247572 1.11965889254552 0.910792367138927 1.39133937758487 0.941576437346142 1.29748071390491 1.18594561182138 2.41696981437911 0.895532530516381 1.200998853038 0.667987673065517 0.920915090454731 1.56542231130285 2.65051527114481 1.34592835263796 0.900345187431518 1.38918491489267 1.09288149375177 1.25358524877192 1.49418354906748 1.13054718543112 0.648375559891425 1.28788046246814 45.2157133379989 1.17282383067847 0.695912447802203 0.765909530253602 1.16157262229291 2.10644239361814 1.35661554427597 1.85925132910652 2.48022277984166 0.739632099868445 1.10689400590712 0.680074595617716 1.86125662163677 22.5899661842081 1.13617440776642 1.65062601982962 1.05751401603068 0.846899595648762 3.36338698153161 1.92914394728709 0.905080700342621 1.22081154062258 1.11842458848096 1.08257219483986 1.34353192119164 2.06946204174439 1.26726352041808 0.63813768503789 0.942239047893971 2.37791206855475 pantothenate 0.746635907864913 0.48143696377726 1.09411420502409 0.806638756311019 1.22319617734116 0.919044401533745 0.949256478282807 0.999049524320541 1.00095047567946 1.94506054052025 0.501318455170647 0.631824429731153 0.761150286445482 0.779209655569872 0.77488023829791 2.18498239594063 2.76407524313916 1.63664636320779 0.933624581427469 0.625412776274431 2.33890281830557 2.29948186986134 0.991656371410875 1.31737519003441 0.870001556708919 2.43504847326601 1.00617052918167 0.389086918456054 1.92321991439205 1.07111234028553 0.559087923140533 1.07096649542869 2.98572619367005 1.95020584991339 1.85138685099867 0.890992948439813 3.38433653908558 1.90883004064679 0.967620251764927 0.703773204846847 1.26921290409425 0.579938128420784 0.805228460926439 1.08776082091615 2.17042826959086 0.515002583991751 0.652369316119542 1.16572372200576 0.241928835665336 0.76446975287424 0.428429197424181 1.63924302262135 0.822633075575149 1.09964699067119 1.07517930499035 0.688386074808364 1.12653550404665 1.2066554974124 0.89626833131822 3.50903868295743 0.396837674840093 0.327799953367963 0.222467411657529 0.484147270703783 3.31136009307178 0.657544510760222 1.21663744552585 0.655195121423575 1.10408761054076 0.613325513252873 0.217996120406804 1.7142745473207 0.751746225569259 1.65742740185038 0.467463096992234 1.00581737067422 3.18897464803629 1.04465647331999 1.53069815851527 1.04880047497374 1.14156515384967 1.62306785922894 1.14177273852648 2.7759666172303 1.04322059116924 0.446638190676958 4.52485175098492 2.58834737502494 0.923680565737952 0.708564093812121 0.814412953129995 1.05656869932672 1.50227348007202 1.09567922927338 1.12521846147929 1.86819872939717 0.811284279955676 0.421723222033397 0.96015816433226 0.550565810063386 0.24312107744043 2.49286092355471 1.84374671592676 1.69576489761383 0.430747819231148 0.884480521509628 2.15917600709576 0.869504907180613 0.586118267499634 0.674591645173464 1.25273612276244 0.610435288433572 3.05143456010846 1.07587801635967 0.852124521961526 0.51760330558647 2.34354946721696 2.13608343769455 0.737599700016586 0.591679402340736 0.473812265187261 0.394671352305041 2.23992442725522 0.654286517812717 0.397993091728102 1.72820185422441 0.869196462695572 0.470596000701884 1.25393576797437 1.46529773594248 2.46761424248179 0.72608043305298 1.26382099066638 0.332729776959447 0.588172576996945 0.182835372082794 0.68130608163491 1.30300872788283 0.657073863704651 2.38821968977677 0.496814262672977 0.277416200546604 0.270267749619612 0.745171685219327 0.556640666501612 0.250440672751266 1.86681755576014 0.645894962538129 0.940696355730332 0.288522605721318 0.616669559134952 0.42422106470075 0.294732743141605 1.16164269763931 0.604750121988448 0.415538660122157 0.358570848246371 1.30875716006086 0.463664364710605 1.3495115414292 1.74052713431709 0.652558921021194 1.20726152159857 0.922807633231816 3.24471166257635 0.860921631736707 2.11465193030193 1.88033036634994 0.777132129713982 1.21551289231605 0.686762703023631 1.13663706093173 0.746946298642142 1.09037692627571 3.02327429012338 2.73172887075955 2.47171545803958 0.117261593709963 2.53464995925706 1.27160911776512 0.978902512601467 0.764500135809799 1.66292719392918 3.22098249375636 2.04480098456095 0.524956937477015 0.559298115729178 3.31600848991522 0.911971405427104 0.229720279888372 0.933665879049956 0.55697891703103 0.994182629325783 0.991730649507359 0.511707093117448 4.98989882770905 5.37291370909782 0.622826045675359 0.364473021924269 1.5921388961668 2.60820675779945 2.74649834263971 1.53736221314687 0.348164596668934 1.09247277193809 0.407310076606341 1.52432418399944 2.84888143203621 5.86520293349166 0.501041144359807 0.176941947921149 2.36543066128555 0.763832480415746 0.780881249354002 1.26488862394627 2.591993327292 4.94795633895241 1.68773563000123 2.42766837410432 0.325756220208979 1.64501481889223 0.620455984404708 0.595348526403588 0.752113512954813 0.624712768284446 2.67483672777707 0.527376515240744 0.861298533975285 0.580859231340575 0.641135994884898 0.444867519343882 0.559063897909491 0.570395002199398 2.0088203777195 1.19120596697779 1.62132757083142 0.810393944565565 2.78381887539872 7.48892989089546 0.646213694915906 0.946136728017441 0.875134692072313 0.695762878494699 1.26129064979581 2.01828523903727 1.12797936652541 1.66405886213022 4.58997411200823 2.7326968941621 4.52488934506025 3.3299906976297 2.13481139263935 1.03298663775801 0.55472490703639 0.384168856048824 2.89903837047471 1.71660855289251 1.40139444213421 1.79741716203191 4.35147499056543 1.48770399713477 0.642031137701521 1.86759174372571 3.24337394807499 0.723010218185052 1.6104979772753 0.485526136776092 3.55492287686017 3.46617057230009 0.809654466219416 2.50620191672095 4.57599315422465 0.473977736807821 1.32398026070674 1.26726378108903 4.228023354478 2.58784634503381 1.13557385048423 0.954520014518428 0.590018436480675 0.265834725483928 0.606903079877795 0.986406328496261 1.1692329510628 N-acetylleucine 1.61448931254619 1.42215879001612 1.98923689310218 0.506834965694234 1.06949027275849 0.403222239680628 1.5057670932337 0.422371200614536 0.662043098983339 1.11876371212253 0.54689909623655 0.394527953816698 0.434039234856288 1.26766645134633 0.601165639530485 0.655650412891287 2.24234012465301 1.38368337436059 0.783061855130152 1.54713187497454 1.48196837700844 0.430972374983269 0.984494026315636 1.08992824595401 1.25842513544813 1.80908360830322 0.88851353317388 1 1.23000576127377 1.8205916071626 0.53106141285055 0.605204350634613 0.66789166477534 2.6906021404005 0.657922915320915 1.13716464833011 2.183475956184 1.18241862038825 1.99410006625971 1.60920164098516 0.444687240071617 0.950439146800502 0.652481919557893 1.31292205320514 0.681495213793298 0.600552634175912 1.4287567140823 1.45973665289781 1.35106367981053 0.62592164436863 2.23250109258032 0.89053754951856 0.347384151241312 1.56020470021006 0.888133872809553 0.704009417337487 0.692061522845502 0.688960004511299 1.38577953843768 0.666579730167905 0.93049779369264 1.59436369531812 0.733530232754853 1.98843274639449 0.816016522634035 0.646504447859248 1.00308742052359 0.829106339785431 0.60350612549871 1.20664570792156 0.875438794355237 1.69732000620304 2.04810172980136 1.70231063115898 1.27944680191166 1.08472784176617 0.879618795201105 1.94559654885596 0.473827414602512 1.95107354827795 0.703692216598762 0.355201387224564 0.705158388902204 1 0.430617625082825 0.995552140752541 0.515937574894619 1.47116997730253 0.601736850267154 0.488235377045945 0.979311462929807 0.665621079046424 1.16374607023529 0.594511722329522 0.387125879350937 0.784077932697052 1.30834026475688 0.967335372816602 2.00156485697771 1.40302820971903 1.54332257200457 1.60872231542442 0.643825863843345 1.91174065667602 1.94910690369786 1.02390283788928 1.41131772235772 1.17702620782992 0.767773814726573 0.854933528822974 1.90725755290203 0.701232148647315 1.02016691807762 0.363653024685266 0.926592700153666 2.53381359874812 0.57411923928214 1.2181001790422 0.987713758053374 0.389029083783288 0.510390086419579 0.437722921630271 1.92238450368658 5.22999168229174 0.720264192970832 0.64916893406454 0.601729801361849 0.613663598043224 0.343063172289344 0.933853072617822 1.37140682052077 1.2490801178577 0.599333173558146 1.12074069896945 0.551626182453865 0.638778847644961 1.43475533249686 0.630700802165424 0.640851225804633 2.5335175447253 0.748269493747621 1.78988623066838 0.696685604725586 2.72539579603288 0.691483512610492 0.499414940859685 1.60287877292657 3.56071222139202 0.597246697587865 0.729237449424104 1.79560994177604 0.985648428799007 2.27544302369842 0.778615031085672 1.10162406778227 0.945053783147477 0.934219615693683 3.71480129135945 0.93659509678147 1.87615073379104 0.802792776281843 0.941487037063144 1.04890530500613 1.20859825469105 0.807811596859008 0.963951898270199 1.23674453357394 1.91179704791846 0.990512173459462 2.56669674199597 0.653785967039319 2.76126767513005 1.25724275020089 3.12676046409993 0.951630411797048 0.648055207026349 1.76685040813162 0.93087843457911 2.56224888274851 0.72382389014986 1.20541214949318 0.858542568339137 3.17552479099996 1.83301143332441 1.5829374198187 0.642253957960329 0.729512356731 3.27051583889022 1.12129051358324 1.37176631469133 1.62149493183709 3.4403028209719 0.749002579899342 0.607115165014873 1.87684152651093 1.62308093553071 0.828916019342196 0.895422440894929 1.61864012518856 1.80394174784656 1.61161236659947 1.5132378441628 0.966644580096711 0.875192082669561 0.919931484640435 2.78731338023205 0.468738104972298 0.638461646906236 0.802792776281843 1.73592686055856 1.52259174150255 0.954471120634965 1.79473587751822 1.3244117688523 1.15316566337248 0.795638137397262 0.550343281688354 0.570016776394626 2.08130207378794 2.6333441416548 0.456895944059888 0.663781314761818 0.729004835549039 1.27339179225466 0.785826061212694 1.26552521393428 0.37365542131307 0.781646060366825 4.26648386505576 1.41230456910042 0.675771502685633 2.85627282083093 0.674566139878477 1.50484964684984 1.42287087815262 1.05488982561008 0.48269493747621 1.47825412713406 0.81002495312478 2.75136396317652 0.566005949276077 2.03482159220673 0.545331510016495 1.4360734777889 1.75562150198074 1.38995953928355 0.89691680881959 0.643952744138835 1.8537070192999 1.70418563997011 0.964776620190884 2.59262261570778 0.747374282773885 1.1260132801376 0.858711742066457 1.41632949402958 2.22101137693316 1.41851465467413 2.46806141006302 1.56043731408512 1.62595688889516 1.02086475970282 0.700724627465355 1.46649655308531 N-acetylmethionine 2.78048760271826 1.15818158111766 0.241235733729654 1.753545029308 1.35906418430933 0.0615660835033283 2.71968725383401 0.0500277825862001 0.795141123742651 2.0947457917272 0.083347758600408 1.68696819778524 0.877309357742479 1.57258427782969 0.409743255749306 1.03568316949099 0.174033435378151 1.0929723605507 2.67296150254857 0.964316830509009 0.356218342117604 0.345051750844874 0.391678039515349 1.26846203062492 6.83313711782208 11.2077930233989 0.15765207020913 3.40717476123394 0.815561563692575 0.06472210878596 2.20327863208301 0.948095498137148 0.353065504739298 0.134873218638911 10.9970770105236 1.4225538492829 0.25233665559247 5.04627398162282 3.13109155667295 0.221873035826524 2.76791236419143 1.12678698632187 2.04835652928676 0.948650444464398 0.65772829307713 0.828888689353806 0.758907545419173 0.0600191553679926 2.65469456167131 0.322436323366556 1.14961539612702 0.387701056538266 0.825578402322588 0.959221813175301 0.0225225225225225 0.0889503456945317 0.242740414833438 0.559179910807818 0.696124031007752 0.0433252521624615 0.121179850947293 0.421343868785729 1.13266229684834 1.3828337972524 0.546541558169465 0.871023914279728 0.526886354793332 2.08290922151387 1.27254197719314 0.0836700487863279 1.27578222741013 0.416796863308491 0.953630840142468 1.25157343389902 2.05285504773877 3.63746550537248 1.81745951931999 1.70343240250217 0.704649366974948 2.39865852563527 2.06176109664482 0.225638861452815 2.53518960821286 0.824921732363593 0.297950375624794 0.291909850049385 0.132113974439556 1.01362485408997 0.410507916554428 0.384250097273353 0.102389632157074 0.068369099997007 1.20496722636258 0.632816138397534 0.939106282362096 2.53371045464069 0.869951812277394 0.259115860046093 1.35169973960672 2.23267486755859 0.389473526682829 0.104004070515698 0.101655143515609 2.67071623118135 0.141169076052797 3.08801771871539 1.4320014366526 2.13817006375146 5.88469905121068 1.16690850318757 3.5080081410314 1.55115500882943 3.93535542186705 1.84341683876568 0.325501780850618 0.075669689623178 0.973896022268115 2.09912304330909 1.09679446888749 0.892038550178085 0.869347819580378 1.83246715153692 1.58666846248242 3.51773368052438 1.1503163628745 0.583256412558738 1.70568854568855 0.819919188291281 1.61792164257281 0.0850881446230283 0.718531022717069 0.673247134177367 0.737976714255784 1.00134805902248 0.582909221513873 2.93824728382868 7.28124809194577 1.24960521983778 2.11109993714645 4.08651222651223 1.15269941037383 1.49328185328185 4.2144611056239 3.27957798329891 0.768525934572446 1.85920565083356 1.78478285594565 3.2798653138188 2.3937996468229 0.325848971895484 0.921374996258717 1.74231480650085 1.47275268624106 0.317667833946904 1.59432821525845 0.44098051539912 0.864106432013409 1.14429978150908 2.38970099667774 0.998651940977522 5.29408757594804 1.84323007392775 1.09432701804795 0.0517763610786867 1.40892041543204 0.337362545269522 0.918025201281015 7.28449492682051 0.202521325312023 0.669774625123462 0.0337158420879351 2.94526533177696 0.504399149980545 1.46570051779354 1.4485217443357 2.50313549429829 0.248871329801562 0.109517224866062 4.83226302714675 0.64743288138637 3.13756487384394 2.15453533267487 1.2969147885427 1.52235311723684 0.87860704558379 0.0408524138756697 7.39455867827961 1.56414593995989 0.619478016222202 2.14280207117416 0.71499506150669 1.02911196911197 0.883285145610727 3.9731681182844 0.822677561282213 1.39752656310796 0.900895513453653 2.68518511867349 6.01130825177337 3.02813145371285 1.68430457035108 0.55182065786717 0.0305719673161534 1.02879770135584 1.97472149890755 0.0904660141869444 0.0446026757654665 0.393174702942145 0.919038639968872 2.11246355990542 0.23073478794409 0.872153482386041 0.183954984885217 1.07978809374158 3.62523839454072 1.10988776151567 0.0472916105474245 3.38577115321301 1.62490317560085 0.512006824099847 2.16112896950106 7.39975816347909 0.596579569602826 0.0401873634431774 1.28926221902966 1.43693035227919 0.140189159258927 0.0766639729430427 0.118274819670168 3.57055819939541 1.26294992667086 1.63219179312203 0.151573433899015 0.748734249199366 0.829644129179013 0.864175870222382 0.185113286043519 0.416234772978959 5.92054832240879 0.64023166023166 1.22279728233217 3.35796414354554 0.0403783185178534 2.03332615007034 0.81401275029182 1.78160366346413 5.48407530454042 0.122913411750621 3.39777378707611 1.79947203016971 3.67062883481488 0.897720511208883 3.5498087456227 2.82551973900811 1.04825895663105 0.464262667983598 0.531901469575888 0.0478800395079465 0.429089820717728 0.482635060309479 2.39053006494867 2.71873275268624 0.72714734668223 0.186466732513244 0.0614276735206968 0.254303073837958 0.774611954146838 2.85150639011104 0.0682793092095418 4.23898715991739 0.336634641285804 3.91951812277394 0.0972859237975517 0.0479841968214061 0.0934404836730418 8.43546376941726 1.27894645476041 1.44728023704768 0.17579360090988 2.09688066804346 2.90324204603274 1.46468169165844 0.529325671186136 0.862531501601269 N-acetylvaline 1.26662077328823 0.998673347040561 2.13392356473018 0.856306616396701 0.72346352160256 0.61276778102476 0.930950220880879 0.778458073663431 0.370131616738622 1.07430168361834 0.745268954953066 0.821002147263038 0.860099658535029 0.411111972245144 1.15214566740674 0.82482710201551 0.687434180233327 2.66426562236436 1.48246401852755 1.06520202964226 1.1979630634286 1.42707283826231 0.610388011798549 0.901663558985908 1.28138719574742 1.15698726686696 1.48696369712194 1.1145981973932 1.86210103533638 2.0452566458019 1.69541233376947 0.605642150180762 0.838440111420613 0.867781480654118 5.55537978290305 1.00132665295944 0.980042877861151 2.35284381108519 1.19392248355298 2.00121382180465 2.00659982764781 0.4932898249154 0.842970342812704 0.90235302772348 0.702797570254535 0.81110095214074 0.739601067742817 1.62665258423188 1.2669094310276 1.20435819828909 0.67685541332997 1.09321205624567 0.759495134203502 0.545331777959939 2.17766462786641 0.68862055194737 0.771233999621666 0.736600668390189 0.934537696786262 0.745507282930828 1.35912836034218 0.528038758223511 0.827873762532316 0.96779431237783 0.514329402862728 2.35219223574416 0.717484288626858 0.940181179981924 0.728482249826597 1.37533892427013 0.573517666099166 0.575172877650966 0.662746705340816 0.858003867414927 1.60309603379784 1.76214347268638 0.895532505202094 1.23324295352797 0.825073039493873 1.3043750131366 0.508244529919919 1.9899005822141 1.09333291296215 0.657728524286945 0.803366122285978 1.10061584379007 0.493715450743006 0.568058095298148 0.454484309645417 1.13840195892974 0.682698572839818 0.625228576833344 0.829176913214368 2.05217331904071 0.606695462093028 0.529862118250415 0.950154486411501 1.37417764886395 1.62877545873006 4.99656872017992 1.28980915148076 1.15566345082708 1.80538915862707 1.07757424806104 0.639510687937449 1.41218445887719 2.03700842844232 1.47140424995271 1.17563633688547 1.46201946318599 0.561016877903189 0.74219160518738 1.82283456291906 1.0040040355634 1.2734409483574 0.654460138302121 0.5447012211783 0.671931815793346 3.10120436345293 0.664501755049709 0.762852849065725 0.864130777476512 0.700548584400025 0.891260483006495 0.675441915211131 0.924401496521428 1.56005002417134 0.805641381339723 0.45310233936566 1.0264938941085 0.834725812892784 0.522442566786473 1.48729953548984 1.24200243815289 0.907707505727558 1.2300376232213 1.13262185509805 0.787081993400172 0.668742249406226 0.978666162221241 0.710574437228072 1.80806377030918 1.16658784706896 2.19499968472161 1.55251487063077 2.65623095193056 0.497645921348551 1.11015826975219 0.778979338756122 0.620583475208609 2.40808058515669 2.93467431742228 0.662625848624335 0.856931920886142 1.15178027198016 0.732297118355508 3.30991340353532 0.844052798621183 1.33698530802699 0.916319860436766 1.33902410828762 4.36846060071043 0.823932782647077 1.82830989763962 0.975481850473968 0.671485171406352 1.23321668032873 1.33784706896189 0.466055026588478 0.974126153393446 1.66729196880846 1.78844819976039 1.86224436177144 1.27087142947222 2.49924333186203 0.456911953254724 2.86366311453013 1 3.12378355087542 1.2614078231078 0.659699014229565 0.738770834646993 0.997230804800639 0.997393698635895 0.455766441768081 0.650513903777035 2.51604767009269 0.661238623704731 0.760609117851062 1.98420455261996 0.92717069172079 0.889326775542804 1.14066145406394 4.03429177964142 2.02546398469849 1.58816234735271 0.951473401013095 1.66005632973916 1.81906698614877 1.36238623704731 5.06898291191122 1.0625617420182 0.636195010194001 1.85562351556424 2.34982239317317 0.624682094289257 0.764602644134771 1.23172961725203 2.45944468966097 1.45472076843853 1.47957521491477 0.884702692477458 1.18695483111588 1.48799314794964 2.13121361161906 0.465209029573113 1.05398091514808 1.06858881392269 0.742422809340648 1.27466527944175 1.6579912562793 0.900424574899636 2.14128675620573 0.832650230153225 1.46021712171848 0.994934527187507 0.704379216848477 0.652158606049142 2.10348487714652 1.14787607457385 1.0911469827858 0.662336843432751 0.721793093301385 1.10207663366753 1.7431111671606 0.827584757340732 0.327800197574458 0.481845219328667 1.36941694516258 3.02917901507031 0.676913214368287 2.22676398259663 1.43743300334195 2.72296487798726 1.1351440822246 2.47948588603737 0.532809971204574 1.00415642011897 0.433807301847531 0.634639636799294 1.78868991319335 0.617777497530319 0.622233432120563 1.35791979317738 0.702534838262186 1.61542341887887 0.548510835067365 2.1119816297791 1.4441484330664 1.49752506463207 0.86784580784833 0.89370914517519 1.70140509069508 2.07786325325262 0.54947768879921 1.49974777728735 0.86542341887887 1.03630430670282 0.718981860983248 0.972486705761187 2.60008512516552 1.00751938962104 1.45935010614373 0.80773798263867 0.664207495218278 1.42617756478971 0.822939655715997 0.589181747483028 1.23433066397629 erucate (22:1n9) 0.748157570709449 0.97856886027507 1.17658681913355 0.393720570834353 1.80237292106572 2.44244272329582 0.425362998203301 2.76742690702472 0.978525624206877 0.357659103187866 2.37336830034951 0.857906694347605 0.846775346867824 0.413243226164547 1.62789690895371 0.369390489690969 1.40652223479476 1.30940377092423 1.8285208571532 0.624995842685751 0.975047984644914 0.761927057427107 0.800886635029197 3.00913417371439 1.43262675004453 5.40106543649582 9.24354812543929 0.927068051354102 1.61923925583705 0.431395723102916 1.02143113972493 0.412521978334665 0.584101728186295 1.289248095211 1.85400380773031 2.24210812416808 1.0021367421084 1.07785758946288 1.91779578950991 3.53815812048045 1.09543154368471 0.884522973302066 0.954045834487096 0.963857378787144 1.07557392189041 0.771825927612027 0.360561607268104 1.02069784771795 1.18681957344422 1.09708996323083 0.632604207569829 3.3570483026263 1.15615360868234 1.13511993133223 0.520572824186408 0.999542927527027 0.506550372619664 0.344364606685617 0.534416931445387 1.61516831374414 0.572117718715566 0.601246376403484 0.574373617766431 0.860804484055654 0.778320502451191 0.596773949632856 2.21203599843349 0.703742075541851 0.462987037706263 0.672550855505129 0.693994802984295 0.945983967785386 0.567298380977859 6.93127929709398 0.756943564456084 1.72443588183177 0.76626844260051 1.05312352846391 0.952424178899157 2.41704708237578 1.51940706775363 1.20097434918668 1.05964196076529 0.861092859500667 0.766071977050947 2.9019459606318 0.732777650016505 0.769443049499932 1.0665799193696 0.879768689518726 0.993994046846148 3.49096571356757 2.95359449823455 1.14169051109203 2.55615081879332 1.0450254192786 0.900058353005962 0.447968700052513 0.827624620692424 0.600000703990689 1.39554029720923 2.14647569224447 1.56801645148018 2.52693429263798 1.67038308565898 0.287120255689418 2.03205634637176 5.57714017080379 0.513126167125304 1.58307272640992 1.95801829750021 1.82967206027829 1.09595875448924 1.65448371669537 0.689428901894465 3.54046812251941 0.913078400053399 0.722270067515314 1.00045707247297 0.731315565651304 1.79480340147442 0.366589331985843 2.49390226731934 1.05453933195977 1.98163666362647 0.521289982108207 2.99891494175911 0.425472938337195 0.495923502807358 2.01532678987025 0.492873789070831 1.20850678881687 1.38850808207384 0.613598414508675 1.55950663811072 0.707693027728368 0.925343351903043 0.973469850164708 0.655202439040925 0.907945004247411 1.41746087245827 0.848731043747024 0.574998605055488 1.31478057131713 0.774024203721347 0.828314792304495 0.814328452852701 1.44413455817284 1.05818378745948 0.594462513538784 1.76150737964758 0.850851620143312 0.70733360137127 0.743858593822925 0.430564355439162 1.61104214609736 1.7850599096076 0.460266244063664 1.24626572050318 0.634380480371957 0.914341020390178 1.49007985861781 0.761383790171143 4.73355516862142 0.628192271850958 3.29617018635937 0.325020767725312 0.928994456203696 0.639394588866831 1.66659027064009 0.392083963665737 0.824203095577426 2.8731909394834 1.0199281512318 0.91506495748157 0.49959663940919 0.791034313549109 0.845580033572534 1.5498976866866 4.20842374398935 1.27344080403037 0.952401364386102 1.09575029502425 0.801734059434544 1.17818538838645 1.59762838573892 0.979317535782282 2.14851218086407 1.88732172739499 0.785036834357249 1.08605047665384 2.85476215804956 0.767495472296924 0.663974814863486 0.781768622769979 0.795690299373344 1.12588944008752 0.939267896616621 0.932035956715524 3.05258992959572 0.67948138309661 0.710597641161866 1.20736893127434 0.601742820207557 1.43171081731233 1.77461399147598 1.77068103016261 1.50842455227496 0.949316190377855 1.53824312083766 0.637638392836191 0.557431038897311 4.14559583425243 1.2765463155474 0.55226687609086 1.74929340193853 1.19089346326394 1.90957721969568 1.34190780955122 0.943264217091955 1.10483047122008 0.83242336018406 0.536640759809328 0.726474195612417 2.39782448625628 0.330299394202976 0.888244085565636 0.580128220170741 1.67509656405611 4.3104132216752 28.3570493455755 0.795138709632001 0.791538579471944 0.352947687234146 0.800438064724382 0.620385536589525 0.523817830154685 0.364661701185677 6.41353651547554 0.795593435469345 1.17457169988721 0.464902283485056 0.621398631337807 0.706067982555632 1.06949235492186 0.63504040645815 1.71731345159334 1.97308474118434 0.990513464734499 1.89494777171303 1.90436508122749 2.027043671932 0.328692861377976 0.778601707620673 0.389932881006279 3.8533217148796 4.67758086897482 2.300069903668 0.884616577989914 3.55298559843641 2.06898756752444 3.17162536848698 1.72139333837078 4.52755432591849 3.91655089930899 2.67394879849648 1.04142763575418 0.630558462776362 1.82450659378538 6.14447179578638 4.26919847791998 0.391802367390317 4.75068274059925 1.50461857002283 2.51359875346715 2.35672929054947 1.53757745853104 2.29109754234243 0.930845430239998 0.91644634365488 0.647745091750846 2.68948561225549 0.404204075949644 1.18800136522046 2.30610897045794 1.78480321374357 1.0201728531804 0.745642688743815 0.931514091025475 0.669446778043208 thyroxine 1.67231800854175 2.01259648725721 0.179473690113159 1.5618716412341 1.86791479452586 0.810575543749216 0.811814291787865 0.836425105701402 3.38591028609472 2.20247056316647 0.741770481908671 1.79701864443241 1.32541961952593 1.2120553123939 1.05252495593014 0.694354469535464 0.377284929381166 0.978226581799682 1.64642562566971 0.135420139494244 0.794227128276183 1.55399768970942 0.92753069087476 0.74912242602941 1.55412717201469 0.225479670768299 1 0.91152178412343 0.259553907969687 0.492928940722593 1.20345034659456 1.17959909423559 1.76078908759835 0.520946056855986 2.29091105585173 1.22939140866516 0.624170165643889 0.359630877128224 1.23579384487611 0.950484012365616 2.02526276934435 1.57692428367093 0.707734046970885 1.28492594472385 0.389402482351313 0.486546394130946 0.144393484981313 1.60045217551793 0.174497300789 0.960566603608176 2.06732801181193 1.17250772851013 1.22150140728095 0.999876343837955 0.826510404650948 0.897422599547824 0.377634845199096 0.220179947399991 0.696477644996078 1.73578184838278 0.253583721681355 1.09111613528353 0.333137083006506 1.79549300973562 1.30575185714945 0.602716744336271 0.566027776496101 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1.11525307986896 1.56229963549116 1.09051077377382 1.64851012780879 0.0750186868453837 0.858967378766207 0.373338254971624 0.801197803718913 2.32570663959766 0.967585475014996 0.832229963549116 1.76422276565312 2.87580676417663 0.818557652378536 0.420729940478937 0.214670788538735 1.41024131407742 0.292247496885526 0.343860102431597 1.84609421861302 1.20972823328566 0.512689521524477 0.609923868407696 0.625759239606884 1.33272920223319 0.303670004152632 0.681893600332211 1.14035158953537 0.636770174871961 1.34726895215245 0.470015226318461 0.434001753333641 1.88711484335348 1.02229133022655 1.20118673003276 1.31486919208231 0.49611221335302 guanosine 0.287294620266801 1.21779947427713 1.14846438443023 1.36889247305209 2.01494678133253 0.519197503124173 0.747443718719797 0.62294466366664 0.900315803081696 2.07686388456258 1.11273492855956 0.557832593586674 0.351735685748232 0.987312472682726 1.23504860166335 0.712459139513553 0.762353564019379 1.03973701544542 1.51799092604791 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0.305777809592915 1.72869967559407 1.83763108830544 0.597495859513033 0.145449043539376 1.72631787876915 1.28214530912925 0.265446700788401 0.304713810191617 1.08202231470304 1.20635080743563 0.660385707917522 0.366627512356385 3.53517868356918 0.815856519518044 1.47467063198961 9.41311810393354 1.61465651040735 1.14285249454172 0.599038170571794 2.38943354233709 1.79732926388812 1.82678935740293 3.29539161360227 2.70979497675145 0.655560291672496 2.23119698305735 0.890684636434333 1.15723438247362 4.23652999534704 0.76797980028048 0.136640950636285 0.606456881993681 0.394548548633233 gamma-glutamyltyrosine 0.731087658841267 1.15565510804796 1.55794098643119 0.605818077392491 1.64861511953478 1.04322205470601 1.19126139708522 1.14067054347046 1.24364419556321 1.08050254863953 1.3410783257951 1.09175389475196 0.848187235264556 0.50951827123268 1.93476918658913 0.461244884772776 1.20599037978319 0.879066695383732 0.573930648287745 0.439414171871635 1.69339651087659 0.872002297365209 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0.864170494101949 1.06270837298977 0.695659057028001 2.72685022022281 1.92327162320321 0.436220196419518 6.69464133931651 2.81830911856223 2.96570479778515 1.41971997685635 0.716258417373572 1.47730018337765 0.727178151485397 0.784826205854138 1.28146867973743 1.11677179941915 0.966854441866645 0.578044813503229 1.00934604098387 0.443212294029955 0.538870220260498 1.20659858009533 0.634411297420463 1.2292936850616 0.223464424169665 0.739549075667312 1.60673879898002 0.883122659484846 0.668101522995709 0.57160303732197 0.835229617846999 0.76350313513595 0.737875495430636 0.7805404834913 0.709270089087993 1.65621872638282 0.612172280761931 2.58962041014024 0.58057403048253 0.221968002201286 1.47478981302264 2.59572294708433 0.853525920704713 1.99540519299886 0.453106771780573 0.361150322559975 1.22437471612272 2.36294829051694 3.03643240940899 0.478357479000149 1.06196204666801 0.726156664449047 0.790088183355038 1.81613610278195 1.03054849330662 1.35145373436437 1.62350098662078 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5.18341324898572 8.8051294238938 0.0262966745492974 0.183930320903465 1.42861632788032 0.00751436746424937 8.73280647786289 0.0202183047687068 0.014285102708805 0.0406888913044359 14.7895397496174 16.2557254483771 0.0364413260789406 0.0493251374644943 0.626954016538902 7.18739250057213 0.0306117145770061 10.1213621524145 10.156059704101 0.0599657199816849 0.0785302754856997 0.293330582663415 2.10920805546957 5.71081356817853 10.7928437246584 14.9099889661962 6.13468164313652 5.29752829052853 0.55435007231079 18.3537571749234 0.226206543716889 0.36292476312909 3.43339963951191 0.161402017161855 1.03286780417791 0.0777630358939522 3.89484836051206 0.880193291524795 0.31674116789193 0.102274358888079 16.6225071980463 0.750339003624436 0.0690267226642928 4.14162115347382 1.59499756262692 6.74262256410238 4.12990361673749 2.90848020847776 1.6977519968049 2.71530020208968 5.61890319797089 0.104225490570881 6.79820101254485 0.0521851529713666 3.74200947712666 0.553057304429219 0.15756035779615 11.6942362601131 0.176714745252672 0.0502847595210381 14.0801103838435 0.373293156169989 1.55769527216569 1.17332743971179 0.0200676756410503 1.4165640597492 0.070084297697418 3.61975130162065 15.7838924786384 1.87263311871178 1.42403491213213 2.3998516259049 8.46300645520686 3.41922887400059 0.0172088933551061 3.50746019383062 0.772191326122984 0.332475129016931 1.96139031918048 0.807113324018405 1.48855826431554 1.86133628648638 5.57528382139226 naproxen 3.78539801519166 0.939151173894137 0.553370303788351 1.06084882610586 0.332702698140427 2.78558619856828 24.1011864338554 0.727369524089009 34.3553873861708 0.714335242552164 0.971395478384622 0.31298896410054 1.55278052986341 24.266383421869 9.09558862675183 0.501953584037875 0.549927738815748 0.262384060727962 0.474194381936392 1.02860452161538 0.947194149505988 28.5775934493581 11.3648339291256 0.398287026877525 42.2794177034058 1.31558205637281 0.573705758690495 0.382450595554217 0.500777148585356 9.37819543111944 4.59629955214946 0.777831593135123 0.361394218845561 0.103793809560291 0.64837435059075 0.116207411023953 1.14484049950463 1.17371640634029 3.60340361215027 42.5274819736588 91.0056393589076 15.4252450582569 42.5429652146475 3.05852441752811 57.2419418716231 0.206478705349665 0.380601540273437 0.688801658955777 56.9013754945639 1.61997239402018 0.699077939497976 0.354584916954824 0.265677041199912 1.79080744244751 31.4295248940754 0.769851049767375 0.646782397097606 146.120367785406 1.99087418503278 0.469935322019989 0.168684742567096 169.485991198809 6.64583709355519 0.470285915366766 21.2755209232811 2.41957713248403 0.808676016688243 0.268640204227117 65.9854542715904 0.319284062416004 57.2345794113408 9.21390479183195 0.477962611167307 0.401546246508675 topiramate 11.2357542018583 0.15640882879603 0.399091802996502 12.186935947129 1.41881942006092 0.581180579939083 beta-hydroxyisovalerate 0.514069231430223 1.13223793914869 0.927511302987038 0.759323401445515 1.02776534645798 0.592282128133507 1.05691207228577 1.06037378019201 0.377210680585838 0.515030059209118 1.84434165641556 1.79267791643435 0.503886275575409 0.183561146003843 0.694398419514079 0.536816298670133 1.29782281578007 1.66294737406829 1.99461906133794 0.985215830865213 1.08916769733379 1.34403347924074 0.582209197667886 1.01478416913479 0.972552302599524 0.627155630003712 1.02254232302393 0.944752857363904 1.65811504685096 2.21422913196485 2.77551350107002 0.785673724406405 0.912549062457897 0.488155675923399 2.75894967884256 1.25562156236962 3.80018573889482 1.35633484959398 1.9509870261989 2.58472619294751 1.66790371198574 0.852660011629926 0.616012392304825 0.648544620431036 1.03859605675112 1.64006885692885 0.501001411858397 1.92237692370259 4.71383244894912 1.10665175899589 0.660852917860919 1.24477715581551 1.19381574458838 0.793982059807924 0.684130735902357 1.41711250071321 0.344916642083578 0.436360877318853 1.51656050414149 1.64520399107968 1.83842755636811 3.15187153181173 0.520092456694309 0.957429616491672 1.20242383187838 1.19651223630843 1.94453618084413 1.26536430923948 0.918426390947596 0.790671537153242 1.82879195665607 1.09165765286736 0.88948487199191 0.895682723976221 0.52244175021882 1.51338376205027 1.01746334084787 1.12282585339738 1.36522506576735 1.20299003201265 1.09347765124063 1.44525449263539 0.717658427386411 1.04572575955675 0.641193973319154 1.1896826292858 0.656628754080489 0.836941645209575 1.77191093759295 0.866207053950472 0.402187105835965 1.08922508033511 1.57869271381521 0.603179412846576 0.329836586191952 0.521148133445505 1.55599736323608 0.505626431737314 0.324752196392781 0.755420237284473 4.5598828266789 1.01511477571118 11.3479824264298 1.15025548202885 2.28158574884945 1.2743776229549 0.797805124693925 0.913946320245418 1.7879614488605 3.1374586791658 1.45868426451647 0.576232462545691 1.30989429878711 0.986009612291302 0.570523115994547 2.22630936815998 1.61764349543604 0.806917013561367 1.33486707529224 0.528441723511266 1.23234551804763 0.69323509809563 3.08266400562315 0.699554105254468 1.46651734716299 0.962915347981212 0.453165998370839 0.784334805890715 0.431926937845453 0.840590382609984 0.450841470032304 0.990787350817069 0.670434616874075 0.644603071125857 0.375982382726526 0.43497961121086 2.62704795341232 0.955842702221704 1.83506070505513 0.867569867566954 0.699161018626091 0.918958114058249 0.719671205736782 2.8548068133397 1.05899212976958 1.13102021640402 4.28931394364949 2.15493027507566 1.10084553686432 0.841573220578898 3.4323731967849 0.445491704269688 0.667474691558107 1.25226765338937 0.723949998603923 0.991167569260577 2.27881787512276 0.412739017429107 2.5140043484753 0.988784769896217 0.844522462873466 2.27918449699358 0.704193692889842 0.591936261209585 7.74216624966464 0.493658048624743 3.12720103625308 0.982861762917048 1.67141915441458 0.932406581226775 1.32379776554896 0.576560479861898 1.2150739859931 0.764965274110547 0.904370691130786 0.835364685573187 0.873456697950924 0.742594298908511 0.475860620562146 1.01393454464228 0.621624134887713 1.93726735596434 1.04346144461157 2.47983081978836 1.31319316723663 0.734305731076788 0.273234539664966 0.918627425986692 1.14776221051137 0.493810524475652 1.86786486463519 1.00666377739497 0.723078361175958 0.774433587419286 1.93523296877523 0.390646771967266 1.18418038767228 0.901777873277515 1.61633676768192 0.757877817798642 0.520391581293544 0.732223270291367 1.09111646071501 8.45712842812694 1.86898391112697 0.923090258177064 0.666751645245995 4.47993036612414 0.96223867569382 0.672289577862837 0.744509473290626 0.656140491443264 1.17795874168576 0.273207832111463 1.39709640334233 0.980377717645317 1.46326121079908 1.40724891561263 0.742892695119923 0.742776881456096 0.634715934819002 1.07875086344306 1.00908299615047 1.37760061767287 1.50969617729931 0.490493931922446 0.0994552873065068 0.875598886537815 3.48954095785427 0.865012012329178 0.881506111780823 1.09383771762104 0.658618709612413 1.0630757147002 1.01154664656316 0.296771178179443 0.666186173499551 0.482058472546456 2.46737247446697 0.904327230657358 1.27792025852912 0.398200396485772 0.491678290522339 1.05619390655027 2.04768755075953 1.67794890845015 0.845945975475182 1.35682116986368 1.51650733183043 3.80638626163448 2.08101299322478 2.31609385034301 0.546960498314389 1.52397767734119 0.426475926175466 1.18064236522094 0.549990591657289 1.89634701367063 0.679255636204274 0.933885208507084 1.40917622979179 0.950384406673489 0.717182547342174 0.717348376969834 2.09633414548576 1.70553392648382 1.01497565363702 0.707774690222729 2.2324093733801 0.522359442394842 1.10746803894933 0.792674846461917 1.17142073258819 1.26260201981943 1.73268021225221 0.697047965552112 2.28638679578555 1.05353334862948 3.35076948103582 0.873114112878261 0.99333622260503 1.02968301775931 0.589507573412388 1.14499020925368 0.559991113668562 2.58220524269275 0.77324340171681 1.528833353364 0.564122043807672 1.87851875052353 ibuprofen 25.5829504714725 0.531677215294246 19.5050346472119 45.1965837618198 0.179829089146072 1.04019802176129 0.875679009495414 0.208895807703851 2.70738689771404 0.736199657650586 1.08873380189249 3.89592973591602 1.51803600935359 0.894224585173434 0.126379044785768 0.33889623646516 0.49850428266584 0.491363757796035 2.46151207622717 0.959801978238714 1.607561370585 1.16854936856652 6.65206551370346 0.968054371353863 25.206680752018 0.450667415355276 0.784446252912705 1.09266185970628 51.9567554699336 47.0566730538086 0.969084249463389 0.162842360076956 0.297647711820439 0.895114159918334 0.58165342013981 7.39505011599067 38.5253801556979 0.248361057669293 18.9421288719083 0.822280041453888 0.261159492668588 11.5273273498623 1.81897692736642 2.17565114561002 1.6119119117824 1.21903152643203 2.51291293777906 10.3139161632641 0.515353076113944 0.593059708347835 0.155796234217053 0.247098292550074 0.40295145470283 0.462384219576223 0.965596119584892 7.38390259112675 12.4789166096309 1.23505415269884 0.779211470461517 0.23564283930667 1.0115938916325 10.7029642634884 0.224381458571342 0.430206997737115 0.43409362316553 7.20192468175343 87.4810345876024 0.523113388803569 8.48935771056544 65.3572965440862 0.535966164105125 0.516996223348993 1.07487705506613 0.195586273639649 3.22265162561602 1.10206014436407 61.6345537043913 0.513932465354823 0.266909214174538 0.229184106237879 0.284411966769611 0.426354011543433 2.96869869208068 4.98576154699078 0.465181451325968 0.143968161758142 0.28238326215185 192.785595162161 0.334229085776167 0.891012760914314 43.3809992664059 3.40297344958708 2.33939141449101 41.9706303604444 2.53683819657475 0.349910144428761 0.511205099707986 0.333219908734169 0.543415960781828 3.48530677041352 0.433265580464403 3.72844339616539 0.484511073130402 0.457638499845389 2.14681455854327 0.39315467449512 1.39287391626677 1.69807751773499 1.5200121101245 2.34578545672377 0.932308802999585 52.8857935042638 5.55829355925098 51.872349454721 100.234424063956 19.2698811111816 1.35158822471526 9.07108099680815 3.47295858363296 0.239604506104874 0.547116276602489 0.218950015978637 0.205574538721994 0.664154937139915 7.37443702799949 0.657186440283242 0.61122748273725 0.248210974929713 0.118071126280393 0.937072636164506 0.308373452433475 0.196266821234638 43.9031215916016 0.58033631471833 0.289768367992527 18.1758892078866 13.2993102663063 8.68949563142784 20.9506033714276 1.13321783862742 7.72137139397107 0.404444519198299 0.374021712832204 0.581800915245948 1.72046313463327 6.68020602737457 0.906696407200349 0.157726608764056 0.467487032721919 1.27046850397266 0.856876700560352 4.40874775361072 12.7694845563567 0.356583651073156 2.66760166488336 2.99015793620707 14.0539366314447 1.36336454450535 28.1572711852784 0.621523676199077 0.247175921553305 1.71668777744282 0.988406108367501 2.97194617204916 29.1274914058224 0.889374788946148 4.18562388489171 28.271670459706 1.93078598071954 0.183781489881706 0.220939906094782 4.11838164229332 3.26550283539934 0.319658121869772 34.8776243454905 17.5796104835381 0.855031717916903 0.481227366293746 0.773037377071239 0.279552391167372 149.015343372489 0.533870181017897 1.09773620888412 0.263622919704441 N-linoleoylglycine 0.727784322428938 1.37936945059232 0.357149549289415 1.42430381379947 1.07541741989885 1.55483402269757 0.240525401523308 3.30617140978954 0.88798509560225 1.30282621416932 2.73938960163297 4.88450474056303 1.39635960392147 1.50226929592694 0.407883480293603 1.65985596306462 0.770288887899085 0.254032128008257 4.58084453134239 0.638628254769361 0.423859937980258 0.443021857428316 0.409975379483107 0.577864880514466 1.37313983009847 0.924582580101155 1.3558774340278 0.963616002052304 0.956625341022896 1.24604956117198 0.53093503174658 1.37567526233479 1.62220829900493 1 0.501191421763304 3.10158412226997 0.682899274293411 1.76264806437131 0.532035185176049 3.65882910127825 1.35218229986334 0.606968953966226 0.847157608078974 0.759140400297979 0.304910236360318 0.519879229793931 0.891366015619219 1.14055816752919 0.713989708878682 0.796762687531759 0.918095303874217 0.498167233188126 0.489301871247515 0.919580264332829 2.17257115229972 0.794241708148536 0.681823787981194 0.381328965609105 1.22107657166538 1.89832214268447 0.529065264258827 0.738469356040237 0.560066897221989 0.540599608286178 2.45859624369139 0.577600284165191 2.53039235516702 1.70877508029147 2.26760862165082 0.481299858410747 0.643086547047593 0.271816831854129 0.384022614813097 0.618064223306479 0.891943226162931 1.60667294855919 1.6800378886921 1.6002792317673 2.11519543756999 0.8086670383179 1.60573066468014 3.24951282443426 0.340702223493949 0.879407397175122 0.457579958460575 0.615893516988244 0.620535868455197 0.927093868247993 0.429010503258526 3.001795766136 1.22213232428379 0.889678784799136 0.613999082383238 0.615059768425103 0.748148732850187 1.60626840783625 1.616865401408 2.79652588320613 0.845016502301442 1.02570313617729 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0.163422129694315 19.7112422696776 0.0786688359664331 0.329602560660837 0.902389504839019 1.26819348028973 5.43924890445462 35.9213492157435 3.57846420694068 0.118793660961553 0.0686625152891536 0.031920580728665 taurodeoxycholate 0.192420576053857 0.247314806058852 2.78811064383275 3.99395994530349 7.07790447602908 0.992632214669318 0.063586033011679 0.258113944884617 0.146909223394189 5.28070833959412 0.507735658263972 0.198323715418001 8.39340764277629 19.6231656101174 1.00736778533068 4.43872522543168 0.405936770963436 1.25260370886977 1.44798147791329 0.0266999626149858 0.160374034380395 10.5856988118935 4.81384258836336 0.62248505175176 4.45588606705812 1.7481493650305 0.206515739705111 0.658795342763774 9.45714733150067 0.521150936429355 0.0604478064515634 0.956374682284954 1.19786268261658 0.238891776141299 4.78090539288426 0.16034102502493 0.118185775117241 1.12672905690736 2.57775891041491 0.231014055076493 1.05931550879316 17.7428985745332 2.29175357211124 2.43909044640164 2.71707220834891 0.500071776156652 0.250237014848836 0.467525319327131 32.6966110139169 0.490796914930285 0.759596702442155 1.93827480825787 0.0945249761833662 3.19240769471106 21.8657002857996 2.26131203743722 1.14368818902232 2.80305543806102 1.73919615310507 0.419885142796169 2.94943120274576 12.4551383667739 2.50938194971677 0.658363918164434 1.01567867618667 0.318276973057457 0.0419295580354367 0.16373177672472 0.0872537060678104 0.604371359854943 2.5462403495614 3.88801000413768 0.736728128039452 2.99888919680562 2.29992300375923 2.63021998816269 0.988212589461111 4.1977797753982 0.184073983945171 0.151518315202497 0.187903069179165 16.6601126463447 0.720595765129992 33.4461912961239 4.59759369475251 0.686321306924825 0.168085941008444 0.672582506116327 0.882842888518195 2.47856579724119 1.87420211398054 0.305885414547607 0.713667638779391 0.885442951005672 1.63046640683954 0.0567914445891909 0.934170900948136 1.01178741053889 2.40023536438106 0.947523569063632 0.552006239535842 0.917920318486544 0.592626170584673 0.928237661218076 1.15827985945691 5.32493641860776 15.3504971746295 2.29145034663662 1.89132398989453 1.98841294857219 0.387070772825777 0.634363813762752 1.89134855499627 0.261319714031509 0.0454707709833948 0.204651094951027 0.907635985110478 8.11774513860475 1.19870250203238 4.88030193580678 10.3356759740255 0.899240861590237 3.57726069944521 1.08976932601805 0.0774959870603327 0.317189967305385 2-hydroxyhippurate (salicylurate) 6.03364973575692 379.998846794686 9.72076127457023 1.67210794001742 0.449785861702847 604.900808436691 14.0932267082351 0.460089154700505 1 3.48050486533346 0.408314212659013 0.108878487949005 1.31410131505172 0.220453090391414 7.06515212368724 0.731414505732226 200.557495238057 0.224457496431028 10.6753727040279 2.55881943588377 0.298421699347445 360.832554588365 1.289669268669 0.844587689334442 878.662444874798 0.142977576121492 0.729744346311532 0.16052220317887 0.190577119611251 0.240550675420423 2.63403228179566 0.171068066949533 0.264155595232888 0.963581209691626 0.295262463639215 0.0959086866291135 0.42919475631292 0.0556336121888655 0.157985193587612 0.0824578816432282 0.171955898718296 0.168531432475283 1.17840309018334 153.014574390836 2.58671805514379 53.064467617955 124.308500582202 4.22181475227403 0.0862561603870463 289.648117832575 0.0923252426558734 17.9849551210164 0.835595543467519 1.10011300308932 233.189404778785 0.667858999643374 2.23855467759746 0.284179137825099 2.61957918165139 2.361236073336 0.317353923097746 4.05468619085062 0.0934638669399365 0.531965265514293 0.304334936000722 0.0939064265673271 13.5930857577437 0.207500311510417 0.444970073516459 0.919819366924898 0.0965660810270821 49.7656023752132 1.17869741381903 0.434950179816703 0.134065490231463 55.2172602551378 0.130862303802146 1.2108023219342 0.346558561810112 0.0555842001916326 0.157989490283023 244.449597614475 0.0570579667177973 312.77345243773 0.273845585360299 2.22823186687119 1.03641879030837 2.86947283843996 4.97596213752003 0.610805329620989 170.011691308215 0.135777723352969 0.142691106270168 19.2834315128235 4.28430589033974 0.139352573935386 1.66922534878425 0.260347516724887 0.513594744282173 0.416242367994775 0.0618981940989185 3.92359616219166 59.2915887890623 1.50589291775695 0.100345024641548 334.284151209305 0.0889158148468013 46.2181324843063 0.0603470870553457 0.0781182192775536 0.241403386655323 5.06098299797626 2.93120131307012 0.937770960354391 0.112380068489325 112.093973025346 111.514374594499 1.98517210413471 182.991971624623 131.102841404676 0.0722081147389543 2.42309344882851 4.04504870304249 0.215904647735427 95.7283178007794 0.173451148721518 1.96828609116728 0.335049863150251 45.5193200909181 0.117781014621655 0.490048853426829 153.894249732531 0.131998779738503 0.49539823921422 9.53322634561759 0.808625186369164 1.42224699983243 38.3813940198593 1.2791971194954 0.0616232055925788 64.478707725888 96.3007192668119 0.0718923076262047 18.4455694625264 50.7906370710287 0.463890571761258 0.16624773886404 0.609647370207573 0.378515233933582 39.7682942548886 0.380175906710149 0.190453172465057 98.8380725883723 0.259780352930561 30.3545654537096 0.655112852704985 74.12107872835 0.782887980853925 0.157054959031009 1.35831002376073 0.750914121948809 0.390150685108083 162.09879176925 181.885909846737 0.147548520432935 3.67059814296824 0.187956792430941 89.3071793483632 15.3640632989168 0.228397289644534 0.510892122868302 0.326179335473088 0.0551545306504767 28.6289846479073 127.479251257858 0.298420534766711 0.0465611398273588 0.672108431405406 138.340089886868 89.5369537288871 0.573346739023017 3.2109140360149 0.701418339155356 0.222517261973816 0.498511195039895 0.296611625998445 0.921179271022656 42.8431212054809 102.579338480774 5.32801832110923 0.0924348083888681 193.691626170312 0.052735491133769 1.19155742318583 1.06090565745885 0.103391381688344 0.702552666744007 1.93930273226861 0.279532261737498 1.83042661888741 0.879509918921358 11.2026171171752 0.361768863567031 0.147299312099065 0.422384494085599 0.49179975680704 1.04037604678242 3.46041669352101 21.9685310028057 9.50180676042056 0.362198533108187 1.24223694556517 82.3966902555245 0.959793672686337 0.163130486342954 0.061747809759514 8.67696584556817 0.155830400838715 1.89550007089547 140.273695201021 2.17419662537542 0.765797874854449 0.241493617258966 171.693804594886 19.9336805063226 1.62616816406502 1.39433781478665 2.98153495146883 138.985273076477 156.639578150445 0.903584303312322 236.788112762474 302.000002148348 1.52503039912004 1.29984274094794 1.93027107851352 0.0923402810898138 10.1902984914302 134.213221361451 0.409174304042761 36.4558041909967 azelate (C9-DC) 0.442230348937205 1.95723919470239 0.843660148886823 0.859307453317234 1.31132171077967 0.888080078062792 0.448988455624951 0.664396591412514 1.15736775508668 1.83149324044556 0.737105596140872 0.859686764360977 1 3.45954546375842 1.17893347000113 2.38377012013447 1.63445418299007 1.80798753775014 0.468037977432441 1.49926888520195 0.877025043215399 0.329079837735947 0.521268925739005 0.541798050167505 1.27741825267907 5.11674672735643 0.352747688663812 1.00133482741348 1.64412806235758 1.29521691669345 0.664616649727967 0.627641061723462 1.16857914715821 2.62947970685916 0.728080309703124 2.68937880390202 0.799906254204456 1.22786159764247 1.85853354377914 0.829294403752147 0.807345156684234 1.20512824222293 0.803939638123869 0.995062432095783 0.902404550721828 0.787565951179852 1.67557299947485 1.0075271508367 0.962161708603925 2.5640053759163 0.994156801416603 1.48689222560909 0.704268182416587 1.57021892825987 1.03249130898354 0.657736704517014 0.6053229672859 1.37427574862817 3.49526569265557 1.65759058838507 0.995846540447405 0.69234163398343 1.47592628224139 0.684839076951121 1.13655203542665 0.878010390159006 1.73394711753379 0.627405310236375 2.05116379329052 0.683490757792981 0.748212970772434 0.895223159840922 0.755591112088434 1.22062523237528 1.36905318193195 1.30126108348729 1.16284136562162 0.758137294189641 1.15388054065862 0.711536374960035 0.773023779315453 1.90862678323166 0.609451833034109 0.713978395066194 0.97859326332297 1.2025241923467 0.628626320289455 0.849741982058096 0.80718891369166 1.89347410634072 1.04120330251392 0.878730843958098 1.57499591308839 0.839418370993199 1.10023711320818 0.978173721954021 0.811780721640089 0.835269251523731 0.951849671094034 0.999049521795174 3.9461279948382 1.15701408067636 0.383090457459228 1.00095047820483 0.972436132060049 1.32715980620082 1.00478711168915 1.43195545338678 0.92251938932137 0.93818130263255 1.44858954531843 0.919180418702286 0.627272214353812 0.840378976058655 0.840133038014788 0.680435339271532 1.04114832812765 0.808849718834948 0.690964380937776 1.83955002018139 0.688831953428015 1.25454153531887 2.18157461109239 0.842884650717343 0.831730637080802 0.913726380905949 2.12893229614991 0.916249415897146 1.25200982016142 0.686239477106785 0.732935878165186 0.915138354616619 0.618936361361108 1.83199538215155 1.23243893864714 1.14653712000764 0.793034455919946 1.26631184075946 0.763961685746154 0.985062880571039 0.971200655063213 0.791379437554161 0.730933653149237 2.11197703806687 0.81281655481308 0.64162342256062 1.0031060528246 1.52827925830873 0.586848680108386 1.04215233402437 0.787429961908537 0.775891127568063 1.35738993187516 3.69325449813449 1.98662097041365 0.821456213624678 0.616942816511412 0.780132835477576 1.410272398084 1.16961189529984 3.33020075777851 0.779377661013467 1.40229243190771 0.663263077032135 0.815342483193028 1.26526154064271 1.21396465146963 0.679434226763557 1.21892391978948 0.947492227634467 0.808893119666219 0.94317818500617 0.865114556494139 2.73062116716409 2.22879471551478 1.75638824068944 2.20570836666758 1.25472092542146 1.54975398962142 0.87270680857774 1.54011611169059 1.19422306001901 1.14543473889337 0.943380722218766 1.2776741783861 1.09319749837609 1.02152536561584 0.692078335607055 0.825324674385263 1.89822215728172 0.791350503666647 0.648286896855031 1.14351931553996 2.05724569644591 1.00471477697036 0.933167059926421 1.34011929441822 1.05452157093649 1.08281891292491 0.87034580335662 2.08626059884467 1.6338358667363 1.36488670212997 0.778911825424496 3.49462046696401 0.875507608889069 1.90208193787605 0.80145421718644 0.802545024745707 1.16114005303582 1.37465767594335 7.23426466694926 0.816462224639809 0.660042735351858 0.738216312636441 1.20798691030929 1.23033255163614 1.24978480421162 1.32171155518199 0.721466485154746 0.96803239438046 0.76445934861139 1.60686659018476 2.76199418139522 0.892358704977063 1.50598280459065 0.691444683470504 0.683068323035281 0.677168703371232 0.774545701798675 1.04217258774563 1.79991348767633 1.80070048941671 0.933696550067922 0.768565067249588 1.04824870412351 1.65946550429596 0.45128763032908 1.49952476089759 0.883400773402813 1.7700103149309 1.17633902414678 0.866772468248675 1.33126263145027 0.643865798842934 2.58806679677271 1.61671857888318 0.941436364977844 0.751253922350126 1.06731324260631 0.938927796930404 1.21069801556933 1.05133305653248 0.870817425723094 0.868167081626837 1.58778758475821 2.87904332994325 2.08845089412946 1.26528758114147 1.16255492013524 0.682125078302333 1.35430847285495 3.07047571651156 1.2844157741768 1.67849821550249 1.47500618461846 1.28773738446337 3.94269354239032 0.873433049154335 0.963316170715723 1.60446218413237 0.899447507417925 0.960269432360528 1.07761370656119 0.873835230190776 0.894476665543067 0.710804347605938 0.755608472420942 1.5403417960132 3-(N-acetyl-cystein-S-yl) acetaminophen 0.0653470969547703 132.924227667678 0.359282918252258 9.11060366774963 3.66882445361694 84.4876362550517 2.11339202969479 0.0676887677100038 0.0293587581171275 0.212325584990525 0.0455568058569433 5.57091527757098 0.253608312849817 93.6608588675524 0.0426472107837274 22.0988513771351 0.957722184116508 13.8825364899511 0.029969805628309 1 54.4469173832847 5.86496663648043 1.95934703349045 13.0098817204039 5.26958993097848 0.794634335662799 0.0396432328725661 0.143687293384984 0.291333784092749 119.498036267419 0.051397964422552 0.115792743697242 0.781609750379736 0.498883720478263 0.0131748920919673 4.46830750039021 2.61518662456629 39.666933893538 2.01908212428357 13.0183074700235 0.00833778205340772 0.105939056482651 0.0224737798815821 0.0331513153939076 0.231003965282371 13.1101339110292 2.34134406613622 0.730891912196538 0.00656072335884743 3.88252008301038 11.9162504911812 0.017980117106103 0.127129843714794 0.0299816402992698 0.0214653021090881 78.5359559828756 0.0186603309604802 1.69271156928373 0.00807905785522498 25.2145178893207 0.246539260182407 2.34229970586824 0.185335803967226 0.0217449793233208 9.85711591755079 5.95341810498494 3.90578461149768 0.828207436073563 0.10120701519124 1.19512632846677 1.94141567079107 16.6406159943785 0.520951801382413 0.0831139339986068 0.0280494078191797 0.0436384517603874 0.0956742042864405 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1.00284453972049 1.92226573772519 3.49724203322752 2.41650657542153 0.718266892031166 0.360275384425114 hippurate 4.52916660691755 0.210970459796603 1.13321226708148 0.0945678401724241 6.5347472817884 1.66020607469803 26.7968631225674 6.24437280343952 0.0531507297419317 0.130849653778563 4.2082037618976 0.235317070813383 1.36326590101253 0.621207724912104 0.938092341372239 1 0.709692299898852 5.10701727382697 5.62665579804936 0.0778929610237015 2.25697512751717 0.0958423187287757 0.554856310818904 1.46769843251788 2.08995997583204 5.32690129853672 3.99757879736838 0.213910538777075 1.93425357443102 0.11860457588349 0.0415923459532593 0.0442182164780403 0.0973842958529386 2.41477721283825 0.294406052103228 0.535468459561652 2.74296774579404 4.75129945672763 0.0547818144003897 0.548127920831194 0.680671110573281 0.0553507819276594 0.137385613594315 0.80349169961346 2.08629071165989 7.7794109935284 0.217210161354096 0.0983058920245974 0.8806023654468 0.0893754782628209 0.381851272162851 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2.88893542470172 0.230674642693642 9.25306532429078 0.132132481431809 0.131465832839069 0.603040522401324 0.230911682400212 0.125883132418205 0.527969433362661 0.469279557719783 0.301741867443351 9.07834847297552 1.10926343468585 1.71977974882026 0.55235786971585 1.28632422226056 0.0902839579183132 2.90723602167581 2.06801163967287 0.401586844197569 1.38604431075089 4.68631369090783 0.22862179938009 0.186396997904757 0.769994245075606 10.8896685262747 0.134972479557643 0.0620785923987518 7.81150559194605 0.101018233012367 0.0693604184765673 0.153277699347745 1.58166346544683 9.11888122748093 4.95294490956448 5.2572289165039 10.0895268514101 9.74888213326394 3.26248876619593 0.477905106396278 1.37968336406944 5.01368276493323 1.09717869538643 0.54343908522561 0.216460109455763 5.4004057869374 1.39155906540721 0.388250068150421 3.56126726411106 0.439525380295237 0.415560461305032 2.01707528588144 4.89407130106219 0.765513123187501 0.666085500041581 1.39632716304571 2.10920837020551 0.171629941844493 1.35119444175717 2.35268823733615 1.21051052116809 0.210189716998427 6.86187418206855 0.963464031096528 0.683404278310282 5.55472205487254 0.326350609872226 1.63943568803369 0.666092241648269 2.47389139454613 1.57301042064592 0.226387871695475 7.70328188155161 3.44622750042942 1.00525238577034 0.332861773996978 1.14190617388154 3.97298847671615 5.7667774874446 1.66277558785245 3.2388162643958 0.0478238743695815 6.85014631453457 7.19689213857873 6.48535465401761 1.33578820915141 1.85054101152897 17.5073910882605 7.05169244905861 0.741368082912902 6.03389386101109 1.37934103491271 23.890619718824 1.66990736502714 1.23904174706233 1.18858402326856 0.0598566551431741 0.121081808289605 1.96297776863702 3.39206875494996 0.0762016564801792 12.6097307724923 1.85440310946015 2.07376832170061 1.03360426084952 1.4363502761627 2.92014273137062 11.2627582137689 19.8917240903081 29.1231305584848 0.435883636594077 2.62933182539643 0.114550323036123 1.05102204442786 7.4562745891075 11.4210496941646 4.87219341496231 2.08921726720016 17.6397378323991 8.12590039574676 0.050000642860352 1.23282295197332 suberate (C8-DC) 1.20912438711307 0.610801540371625 2.06217882620315 0.328789377327918 1.14236442835799 4.79991582668715 0.593276656636014 0.984676248395446 0.608152185349635 0.467109278003409 5.44197302245323 0.523983081164117 8.35020096378443 3.96847499000442 1 0.470514088508238 0.808627764567244 0.240497885145515 0.504549567559605 1.11384230129837 1.3517308137455 4.64693293491299 1.18434797247533 2.55403084951916 0.948056648639549 0.595980724311357 3.48167126112666 3.97064747003995 0.382589880159787 0.760891034176653 3.57525244118953 0.946898579671549 0.648354971149578 0.426328783843764 0.731621726586773 3.53222370173103 1.06143752774079 2.84700399467377 0.964472370173102 2.19170272969374 0.580201398135819 0.917313027075011 1.84667110519308 1.93772747447847 2.286057478917 2.97195960940968 0.373121948513094 0.929921216156236 1.2185086551265 0.33829338659565 1.68334720372836 4.14902907234798 0.229344207723036 2.36973479804705 2.20188082556591 0.602011207279183 0.711531846426986 0.513534731469152 1.12890312916112 0.849661562361296 0.737291944074567 0.386049156679982 0.398429871282734 3.92136318242344 0.907512205947625 3.64935086551265 0.331194518419885 0.788104749223258 0.543561362627608 1.4762011762095 1.43816300488238 9.77650355082113 1.15471593430981 1.34477363515313 0.855661895250777 0.689550044385264 1.63782456724368 0.786223923657346 0.967887261429206 1.36164835774523 1.09256269418553 0.525818353306702 3.15921549045717 0.515998113626276 0.38040390590324 4.23501719928984 2.50551486906347 0.538701176209498 0.654205503772747 2.11168719485131 0.696016422547714 3.20631380381713 0.921618397691966 1.48690357301376 0.501531291611185 1.11994285397248 1.05992842876165 1.02225643586329 1.01932978251221 0.655639702618731 1.92769640479361 0.918250665778961 0.302937749667111 0.371005326231691 0.402480026631158 0.852901686640036 9.77132989347537 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0.0973189140503854 0.732667494900198 1.98830937251707 0.138232382684326 0.125135013353497 1.22381941341658 0.0281581499796817 1.20848702658771 0.082269821501859 0.120066926694257 0.175680234803195 0.155737871668955 1.65387807378085 1.29595274570535 0.213435010118736 2-arachidonoylglycerol (20:4) 0.582944873776404 0.740226687274601 0.483676455435343 1.06651828954147 0.892424523441525 2.35991962905719 0.255188047398248 1.02138279237506 0.964076249356002 1.24122823286966 1.06150231839258 0.411027305512622 1.78242967542504 2.10991859866048 0.386594538897476 1.05495723853684 2.97300360638846 5.60438330757342 3.6000391550747 1 1.20942606903658 0.520865533230294 0.44406800618238 0.302889232354457 1.15996496651211 0.47468315301391 0.566130860381247 0.858950467847451 0.385399894157255 1.72609248854309 3.41119343324588 1 0.97746619225096 2.16338910720519 0.774774521174179 0.774729481708347 0.33994099829976 1.32703156140568 0.331346905225704 1.8226458434203 2.64686806814471 1.41094571618381 0.966625755818536 0.968843949510759 0.481333956379277 0.433986217923455 1.31250070374165 0.487811194559233 0.508709506705251 4.08419565143957 0.847107903300267 4.33143135422414 2.05715789710734 1.05798268232539 1.08620553760232 0.944623976759636 0.699659952032969 1.29959971174742 2.54927880555337 0.718286586121089 2.81901735145421 1.09286574861222 0.768564704822601 0.515977750503879 2.68869002713628 1.26341613088469 0.769873664298341 1.90396459897986 1.21874542567925 0.535522063708324 0.420454673407573 0.616846449201112 0.678381619393994 0.456432761707446 1.14411784576235 4.16228282532569 0.863268626634088 0.701782436860299 0.402695049036718 0.598354933510489 0.769350080508045 0.895967278828073 0.394844107148889 1.18309668847328 0.668532051209873 1.62067761876344 1.18452106158021 0.889388701849996 2.68256465978314 0.448021641463332 1.10044082377183 0.93013252862821 0.627385684205785 1.56046548287937 1.52693641553411 0.378795982479648 1.13032732431793 0.226143157942147 0.771433155802772 0.664599542849422 1.20886489286237 1.55537602324036 0.295503935323327 1.58991847856684 0.395066489511434 0.247635428043823 0.500996498181532 2.44492236322077 0.771818806228958 0.99263041740325 1.06181385188772 0.941265721588542 0.721861593721499 0.876634088119715 0.354725202959093 1.13107610543739 0.2459802276745 0.787213858643637 1.99468815799845 2.08327515735663 1.92618031550146 5.86308283883753 2.84661809910935 2.05492844354866 2.09656461474367 0.696763351386653 2.39573645156568 1.28482395198793 3.61771345891838 1.6706151265046 0.482352974293725 0.665227280404455 0.315121437659749 0.532321446667643 0.687482406458659 0.486744322212339 14.1066450101902 0.342342164821925 1.37124342705296 1.07971140962268 0.862854826541757 1.4932806746912 0.26292914166038 2.7306189548592 1.07356352253662 0.632106383218295 0.461297024017295 2.44086318136267 2.79129556023466 0.981038384884755 2.80258920629201 0.591204918309669 0.593285178637781 0.374956368017475 1.21030052583576 0.608919503214692 2.03821880172501 1.00354404296765 0.315633761583588 1.20715902309399 1.93313609800588 0.390185337401898 0.510178919278017 5.76222540000676 1.76253223136774 0.436953192735134 1.9311402866762 2.99268390176893 0.720366846449201 1.59838871310986 4.21303385841844 3.35565132697526 2.46303948835167 1.45103928567407 1.69004121111124 1.59803402731644 3.25396628795983 1.75301482924413 0.443405096215559 2.10092499802952 0.213777009604666 1.63853013703258 7.92648714686244 3.21261442839288 4.83998040783236 0.274442355113668 5.406672596863 4.2539606580266 0.604336737566293 0.535522063708324 1.0917932463321 9.73104119985137 0.701875330758577 0.861087027507854 0.787731812500704 0.479712535609328 1-oleoyl-GPS (18:1) 0.516597627534157 1 0.846457412211788 1.11192976278663 0.687141447729017 1.52205210655169 1.3575839514744 1.53302417975199 0.448380099456213 0.567000069758867 1.45492082368613 0.625979530755356 5.15152290250036 0.965967638529483 2.37279470629856 1.4643605870021 1.02532433992647 2.54741667426245 0.826781970649895 2.52368744872847 2.03056543007322 2.26214565673138 1 0.876500167107222 7.40430832801629 0.620058943274694 4.83727934250904 6.14080682405129 0.982092941998602 0.770527603074773 0.29808130525932 0.472507064078024 1.25654376690062 0.579698751253304 6.63420988667092 2.24546911554705 0.55078540394373 0.793630176525993 9.40267523470969 0.47954455686203 0.536410384954273 1.07436271382129 1.30046258317382 1.74608057606417 2.43842098866709 1.79902698022058 0.60415717193814 1.45799152310637 2.21078677118464 0.758484489411479 1.14940145231368 0.477736760550542 0.514906723786953 0.780174247257922 0.810697900525628 1.33041655272992 1.168204812688 1.4106394129979 0.940787075015951 0.46933962264151 0.631604533163188 2.85415337404673 0.696328198584146 0.613116397775955 0.766968978822957 0.561616990247015 0.669454318962112 0.436613192355604 0.81285890073831 2.21875854525567 1.21977638015374 0.515180171968523 0.679450369155045 0.671258317382189 0.928041351441679 2.43216586151369 1.43734998328928 2.79967641965181 0.724132561601799 1.30893947680248 1.22862166924923 1.09109242548537 0.477645611156686 2.08711223528697 1-stearoyl-GPI (18:0) 0.656139906724783 1.21855995327089 1.01840004636309 0.383375171955211 1.10256811866511 1.79460731682767 0.509285886404329 1.65870352634003 0.695714616879215 0.583976672045192 3.59210447251309 0.555867828590776 0.757153489280061 1.01246335943291 0.851795807190549 0.610687302308699 1.81800725643364 1.83482996641726 0.854560740223336 1.00595475938471 0.439716544607698 1.02086613572795 0.964200831485418 0.349151662208286 0.687968930629227 1.10406637852413 6.24949038728431 1.95816562298877 1.68523038185495 0.248396355617102 0.311126379073165 0.637579190903074 1.71824082575104 0.994045240615287 1.70215260472111 1.01237635238389 0.554930090466245 0.894865338996863 1.01606731426709 2.35112289566565 0.572588223153714 0.629370008901639 0.971857928679513 0.803887306339517 0.847003516613661 2.07408935008389 1.398040867815 1.48128051801176 1.01461376561846 0.764026350652578 0.723014354174657 2.1862189828985 0.447444322962661 0.841667676633567 1.1061259287811 1.22705063197138 0.765055070253512 0.792866665402199 1.01211976353594 1.28908692455596 0.977440179151519 8.20135112675336 1.06328538321252 0.672600824968825 1.13472079746344 0.537053515601015 2.08107901755992 1.84688649975906 0.503000003536224 0.444253845562827 0.672874078612823 0.59914413743951 1.09344020872721 1.04530738302413 1.17099843345293 0.505935551359951 1.12790970928063 0.48425174954664 1.05050916798123 1.15138155435031 1.798708506836 0.811996510068754 1.54006493149531 0.687974235717595 0.977846201919012 1.16242710959046 1.69723206917625 0.583690518709356 1.83304797080237 0.769801807524634 0.552898047779525 1.98352441264129 1.92704690286283 2.14210105691295 0.975970717496559 1.45011995834972 0.490477271244105 1.52516875019891 1.02043310381099 0.746993808072427 0.845120477531639 0.464461434748798 1.74874681056739 1.07368766722721 1.50794187605665 0.821139898471805 1.2300377765126 1.05654132254121 1.12444581749936 0.462797641531725 0.772963030710816 1.14656505703125 1.20362154306011 1.58826140922369 0.460450231992344 1.58542857262262 1.32959291958017 0.627710877070258 0.999504125004862 0.551382936692274 2.40958374468723 1.14390324506383 1.49752223239869 1.00049587499514 0.949568307463714 1.49084728882557 0.719010545340334 0.554072395498966 1.13425578405633 1.12128443357574 0.88427049153187 1.47144917337558 0.858277801227584 1.24886061267325 0.837381934333613 1.11737738867888 0.715735520048298 0.712039684144506 1.01257866892042 0.874987422295504 1.18990099538266 0.469643449001065 0.42394563474089 0.748550550156028 0.444008881707855 0.819012056272248 0.61726037182427 0.458933835005592 0.718987399149313 0.395985518199818 1.47656207052966 1.22031701923352 0.806442710123212 0.68083170693836 2.59996968491926 0.590642252150104 4.34505232485808 0.578452728566225 1.05687308461251 0.537344611100592 1.06487137950977 1.52142131757764 1.06535986058278 2.98727361337438 1.93769656179406 0.521764331269572 2.37081998274966 1.64628907085081 1.05977696716102 0.866024059822617 0.532093158275262 0.882061476926302 0.911616269586259 0.910894076278915 1.38013953938437 0.743954906076293 1.21002162561486 0.591897611538119 0.36056204095397 1.89730115412695 0.487296598827967 0.962268333149557 0.882281687215876 0.917574484924918 1.03346296271888 0.936501639682601 1.42971337621594 0.781875278678533 0.864620179042217 0.9439074563847 1.58387906372371 3.04548676600455 1.17833931223022 0.940223675788731 0.426090193633962 1.35252709792093 0.619817865194655 1.09855165924435 1.68373092810118 0.74279164924005 1.03526418644514 1.10616466650357 1.72068591165292 0.774472194512874 1.7625824462502 1.22054751671911 0.798429627381687 0.979747082856613 3.5102187218609 1.10179212598729 0.769183772076885 0.737954256054095 3.8703197678437 0.704848612659102 1.6573159805482 1.35556117779393 0.706726025930806 0.650402341880172 0.881883862057703 0.756504802995374 0.848438419719526 0.873717757275539 0.687517259182367 0.821427136272878 0.695647358778498 0.572455132555343 0.956195833492731 0.947111596466734 2.49621399039369 2.5322436085169 1.67712413720162 0.697934331041325 0.621621339245042 0.943195711010804 1.19704754259783 1.07452334116553 1.08952930613184 0.954073456366054 2.58339427961177 1.63824705537051 0.860174985204119 0.518560512662413 0.614036621774844 0.415277707678395 1.7822192567951 0.312133297628191 1.01725227065741 0.964425751037641 0.410808563962088 2.52112765027906 1.23871550855879 0.511286500659184 0.424503072174646 0.794087787715995 1.13627384258597 1.25088043931471 1.89518263469878 0.742889056127263 0.605504196372285 0.999442080353931 1.41687511633372 1.21809209162163 1.17724694060398 1.57839743488768 0.575052971022576 1.4506100467971 0.807852055976491 1.3397306297725 1.27372138994163 4.6321626611433 0.922738014371856 1.64340351237019 1.17750026280571 1.80977318983124 1.84529568133867 0.665267018638792 1.50102068272905 0.684913473429941 4.39593810065571 1.10235936840474 0.750446608970499 1.00845639659455 0.68771030484498 1.49022314535519 2.21663484601193 1.72772106782381 1.04014417505207 0.335634396911527 1.55790550117451 1.23544803792632 docosahexaenoate (DHA; 22:6n3) 1.04278884760761 3.0463024179643 0.221431186603729 0.475075640212578 1.54975781489312 1.97435648255624 0.260804546247541 0.677711380391908 0.786930306763347 0.169215437190823 3.08082499242275 0.710359130012405 0.886834312533136 1.25556903797121 1.74530502794491 0.177577108747781 1.46674159922412 0.585022204965027 0.871465156834103 1.02450724511705 0.41828072267802 1.36091582026009 0.574714120785232 1.37167094944191 2.21923131001136 1.08449510259032 4.30694042349387 0.833245420756705 1.31608732217416 0.592681719294027 0.38828088583313 0.219090885247888 1.24855570697365 0.975492754882946 2.34219215094732 2.23366867740955 1.03365881100071 1.53276028325191 1.2313062480101 1.74117810836032 0.62167403194818 0.719843521984959 0.607207790525334 0.91151962233079 2.79914151397047 0.478488901575452 0.318106717900862 1.18862516550475 0.350447849810616 0.705910461656694 1.07287524400285 2.04074411373991 1.03505074161498 2.14828896964374 0.477436750288192 0.871167054948674 0.867028538178624 0.712348333973761 0.565738885656255 1.9276496108031 0.33065515507493 0.688235331832903 0.512136470329912 2.10149714222979 0.911310165230279 0.974350832738651 1.22983151122578 1.37627801723665 1.36608142284679 0.793716462644782 0.777281089092606 1.34343484876764 0.592082718340012 1.86761945874732 1.2578430608772 1.48138727562167 0.802717848163803 0.605257647252566 0.355675740242631 0.687814608332876 1.36351936762365 1.33784248119888 0.658229864412362 0.499924246582862 1.2558498808805 0.750048978426744 0.206169446121754 0.834790940330461 0.867472325849481 2.70402295877477 0.800551976725037 2.10374467804798 1.73459610693308 0.706543206894659 1.39899536476917 0.575967643410002 0.50977461492013 0.657531597957951 0.699695642531701 0.79221641324038 1.43515808750069 2.05580946149201 0.25731219849591 0.835393015315365 0.988085203930395 0.158818650710874 1.36086549486743 1.55268670801998 0.747697609924796 0.829446095405391 1.74345313498381 0.484320324971181 1.20496250315639 0.952047656584509 0.935184691222485 0.910960900258001 1.03967850688917 2.14112433880441 0.570428940001098 0.739039007520448 0.964747354668716 1.51084143382555 1.54344783004886 2.91222421254872 1.77305266948455 0.786103880990284 1.9467435472361 0.56909661085799 0.742738637536367 1.3353544315749 0.338700492946149 1.6427009496624 1.29393669649229 1.13332174562222 3.2064810847011 0.489585841796125 0.890942060712521 0.482655365867047 0.369595327441401 0.317988955371356 1.43528257781193 1.457955957622 0.361874644562771 0.421818529944557 1.68798701871878 1.33807795355986 0.512739862765549 1.66044209255091 0.727514510621947 0.376723930394686 0.724623883186035 0.689883515397705 1.13327702256134 1.36349207004446 0.585828129768897 0.877675279134874 1.23526104188395 1.18547675687545 1.01595425811056 0.422485142449361 2.3383363671296 1.73012448591975 0.44199440961739 2.75054563978701 0.358171905363122 1.53167978042488 0.185083453916671 1.33780474940989 0.813129257287149 0.980099660756436 0.718674644562771 0.921777469396717 0.726969138716583 1.27499516276006 0.534671412416973 0.17170340670802 0.217688075972992 1.21680691222485 1.82109154306417 3.37017562057419 2.99897152769391 0.710637720810232 0.763802707361256 0.379706796947906 1.01191479606961 2.03441883954548 3.11332456496679 0.584731905363122 1.21835700719109 1.23171806554317 1.49387294944283 2.25046372070045 1.68078641269144 0.472499911072076 0.835770508865346 1.9848102497667 1.48342173574134 2.05910791897678 1.01816423779986 2.84504829554811 0.348572168853269 0.537363333150354 1.28462716802986 0.837279481802712 2.30038935938958 1.40670241642422 1.43594616896306 4.60913479936323 0.874734658835154 1.71732067409563 0.562503050996322 0.397807393094362 1.83706080254707 2.93413169676676 0.369092816599879 3.45585889224351 0.368115601910304 2.22683662952188 1.63981355437229 1.60709844211451 0.262768183564802 0.140320974913542 1.0611893857386 1.17529974858649 0.58440131305923 0.403887744414558 0.657015157270681 1.27241866827688 1.20049729373662 2.9969484854806 13.1127283394631 0.445595213262337 0.822139337981007 0.634300304111544 1.05043568534885 0.617182245155624 1.34651004226821 0.370929430751496 2.52756204424439 0.766941577647253 0.904379443377065 0.329499961574354 0.375429473568645 0.621547644507877 0.915968407531427 1.01652004171927 1.7659843530768 0.883228825822034 0.382468964154361 1.3569461492013 1.78506091672614 0.676725713344678 0.281746746445628 1.02227965526706 0.548561154965142 3.11671304825163 4.77581620683977 3.20686702750178 0.55308737113685 2.50662926277653 0.585481236207938 1.5071827326124 2.09869510018115 1.5228654377779 1.76448483065269 1.24826638853818 2.1186955481144 1.18893567985947 0.888531565021683 2.55885979030576 3.71841842674425 0.881803906241423 1.7966421518362 0.479331824120327 3.05546580007685 1.37084488554647 0.647755516276006 0.545575530548389 1.88175271888895 1.14460955810507 0.942281569962123 1.58814011527694 0.784776997310205 0.767954890486908 0.794028716034473 1.99132532469671 1.47543629796344 1.57100686172257 2.23020575506395 1.50040513366636 ofloxacin 0.49791854878068 0.123119837408976 1 1.89562890480504 0.237238376228353 5.95836076280107 2.7555146805941 0.459289288500905 0.0286356466685228 0.0717849228915694 0.0465243241646266 0.033665948497684 0.0227989365804208 1.18943371382316 0.576326740633921 0.668525806574644 1.29870414495466 1.11302483674076 0.0118309885581435 3.80883738085887 1.16313919538305 2.43322134828583 2.50102486984584 0.904418936016063 0.0370124101555082 1.39577324288967 1.31177902979479 0.331559289192722 0.797018254134961 2.40872850248223 2.47422783204301 0.175407892992208 0.0747754312875746 0.0274741201423057 0.014477921258492 0.273335365317112 1.03582983685508 0.0210113606164853 3.21179142946375 1.86631663695437 3.82089740350834 1.76631945874475 4.55024318110916 0.214947684276481 0.0139271686815945 5.61859522040774 1.28779449919839 3.36262744687476 2.70328471381139 1.99343438879345 1.52423464829993 0.0106756999323335 0.964170163144918 4.50368457305096 3.0353211778266 0.0195944239948551 8.02306642953804 0.544901033376967 0.0113794529798487 ciprofloxacin 0.722264815503617 1 6.13397906434791 estriol 3-sulfate 0.436458385781179 0.922146417602336 2.88704412332377 1.02259872782505 0.278145612003424 2.83649698739573 0.322205998355236 1 3.10583136129433 1.02078429937846 1.55102986548945 1.49366471140596 0.337621898919932 1.13181546566505 6.31215066482929 1.00393897635395 0.689015987609907 1.54420881046166 2.60254549741263 0.718568472742202 0.701942659235863 1.16575001117873 1.45138067421942 1.08009251919692 0.472067413812027 0.293882594927704 3.30898403678004 1.50133941455999 0.403287764783356 0.841892172046682 0.61885424161494 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1.14268828237226 1.11231137560709 0.586330118339148 1.5960134072098 1.46017374649429 0.677088720158698 0.408638073739654 4.22336411519256 0.459262603461249 0.553466037348656 0.362629454819071 4.41411861276421 1.05623640467884 1.01720227101717 2.7536083179424 0.84889800943977 1.7250701142349 0.982797728982831 0.728843286134483 0.70545728161981 1.29282714275942 0.356861618441754 0.689327587386278 0.661363978384294 2.40691976195362 0.598079211984404 0.903810110130652 0.395124153498871 1.26278952048704 1.41244955195294 1.71226440498323 0.474544212909605 2.44000499787806 1.60999317100283 1.36475031075169 0.624034623231085 0.257440267817328 0.468777264825064 1.26271604512739 0.444712051133463 0.447331628597341 5.84983961550807 2.37472883280159 0.678321919357514 3.75636852457039 0.357050993435977 0.304821013492117 0.913379448811604 2.15524874137489 1.12561261705698 0.452323043880077 0.65056215356842 1.64470903517257 0.787122708677566 4.2562661973257 0.534049121385963 0.764621486136274 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0.650809459644189 1.80754584334173 2.33674107055676 0.32339328607417 0.501386529185463 2.66445017282793 1.35656257933486 0.311363680746773 0.342521530259535 0.64498994278126 27.6503993594626 0.507049817407776 2.02438143222606 0.332073739918371 1.2272345577753 0.475237760462437 0.775079578963814 3.21679653172418 1.9436795750581 0.236325111801121 0.279688323861972 0.23435272521335 1.08680453844201 0.64128927685668 1.93124963383912 0.452887300564376 3.65700001952858 0.383228855429922 3.36439353994571 0.382125490655574 31.2780088659754 5.98467982892964 2.09117894037925 5.77193547757143 0.585437537836624 4.84636866053469 1.63397582361787 1.08302575819712 1.06165172730291 2.13968793329037 2.07256820356592 1.51650165016502 1.07603452652958 0.388189114769465 0.291434764778253 0.381783740504228 0.533325521901303 lorazepam 0.666027568669398 0.938606228178167 1.59421986316576 1 4.99049425820905 0.698733988587891 21.1294076010357 1.28807192484648 4.84674990841752 6.26508006482177 0.288748703875026 0.536244931918513 0.52967582905431 0.138801790670384 1.51129103360922 3.53177446494098 0.316720167394152 5.71279733262137 1.69030219114972 0.793327828036037 2.17505603606177 8.08580813004092 1.08756527192236 1.12197544968552 2.23561844564347 0.388452535437764 0.662684639599645 0.392898166487641 0.709978454832761 5.13356761891753 0.552698733988588 0.798779314155858 0.402503461507417 0.683273623623934 1.26686204263087 2.08339283607667 0.942299931080301 2.87606872101182 0.168319290685906 0.268830289897366 1.83838020079848 0.916110445370273 0.873442321662517 0.606058724550935 12.6713275424229 0.627107173236804 0.896111314627741 0.223411587202047 1 57.2929149307388 0.388601551003682 0.278553555573493 1.84426631565222 0.234209006749163 1.54701130655606 0.412208100237804 1.22531774464941 2.73663361418628 0.573827899439329 5.2099256784865 1.9929652234923 3.52666447282639 1.33667583526329 0.336334341258064 2.54439732517059 1.10247924647795 6.38827868394419 1.25188597825615 0.638780059233687 0.338737217258486 2-hydroxyoctanoate 1.088097192905 0.979672931389012 0.859863527112266 0.647707964887128 1.19533085125646 1.10652177687601 0.596015944160712 1.01615499668864 0.532596482263734 0.968332436246921 1.64885144000972 1.16631982081422 4.93942062273506 0.707352222583262 1.12903905922507 0.782940640990979 1.38319314807879 0.967335306096632 0.983845003311365 1.11449881807832 0.746513145003063 6.96722616747322 0.828496094573578 0.890715031612995 1.55764627676067 0.543187889581478 1.08882643734327 0.849222511329333 1.11072361387747 1.36100328159997 0.925971421111348 1.07081226708443 0.942503975883596 0.426452087635595 2.92194806427876 1.76429537848038 0.793384604429253 0.365217546108381 1.09968786346697 0.687999952526763 1.28412732322153 1.47948562747751 0.340715421681027 0.706829025137079 0.917337226138764 0.821607443803556 1.7053751572551 3.48212632628356 0.464282323340217 1.70002254978756 1.70139927365948 0.987840917182938 1.11801846708918 1 1.59014574283748 1.83791450070023 0.969587457570795 0.640781884212775 0.566432860974626 0.548553253103563 1.70574307484156 0.642081464074628 0.407320373139642 0.640526715564101 0.74410738446201 1.57142941916495 1.29645849652259 0.720863300814166 1.79257755940089 1.13058700657504 1.04530727052624 0.321654917040518 1.15142775760165 0.442367490327328 1.0837902632391 1.79472572337345 0.491164043770325 1.44626029575827 0.652406893114007 1.46530299793491 1.46887535901636 1.07656839706615 3.39105485532531 1.4232713807591 1.07525101474044 0.604939590305965 0.649321132711434 2.003501151226 1.09208621139832 0.881198224500938 1.06048683804505 0.519725129957986 1.3865864368962 1.31209499394716 0.368778038880581 0.691210330176363 1.5713878800826 0.981883025944124 0.788471124403618 0.723664221794963 1.04756818343659 0.377174867668352 1.24805359728453 1.1191637589309 0.815999667687341 0.61001329250635 0.374902086448765 0.891357497210947 1.28619834318403 0.991241187780389 0.561127726744048 2.90142775760165 1.27438937548957 0.436314652614589 0.728340335635785 0.608428873222721 0.869205298013245 2.14747561062451 0.589843100951839 1.36880770965368 1.32430155000119 0.582828930190605 1.03302950461677 0.803573547912364 1.23017398941347 0.718287877708942 3.28769375014835 0.707309691661326 0.6676101972513 0.558214056825465 0.493620783783142 1.18140117258895 0.582621234778893 1.40964656175081 1.80471883975409 0.618000664625317 1.6012722827506 0.418470649671248 0.639517909278644 0.867959125542975 1.42889695933917 0.706520449096822 0.986529469011845 0.922238837855159 0.671520805146099 1.00249827909516 0.575167936575755 1.27047876759477 1.24595884070355 0.675122837000641 0.853616273825631 1.37510384770586 0.965172446533267 0.443032115644805 0.523837499109877 1.24532388615918 1.66810866623941 1.59110707588597 1.44376795081773 1.98035201405208 2.33779581760782 0.755975693702675 0.58203375347148 0.788014194497852 2.19628403237675 0.992570438415343 0.815412186379928 5.8063566664293 0.448147356927532 0.538322770538109 0.771060314747561 1.2114457974317 0.786245816420993 1.10216240594365 1.02325001780246 0.465000356049277 1.27406893114007 1.22221035391298 1.230446960526 0.52603907047402 0.76569583897078 1.10671983669207 0.487745970709013 1.54620926202853 1.0203422820385 1.37397042417337 0.830496807424814 1.80773339030122 1.22585985900449 1.19862208929716 1.17272543853403 1.67183531534098 0.72520710199625 0.728850672933134 1.40370647297586 1.53161124166251 0.612256402952835 1.55223836312279 0.734885708182012 0.749175152507774 2.1736214958817 1.26803983004581 1.26187424339529 2.34888081843861 2.95598044102637 1.14071660851195 1.84472691020437 0.79690355811911 0.69739965344537 0.77835339077595 1.28625768473023 0.780537159676233 1.25427852548126 1.09596714852002 0.62268271262076 0.723147950342994 1.16990671508937 1.05041064349973 1.09562296755204 0.771279878468513 0.519351278216905 ethacrynic acid 1 levulinate (4-oxovalerate) 3.23394568999375 1.11401524161444 1.07255900916599 0.395649520311397 1.0583057210449 1.86256916901302 1.53248477405865 0.73076958536392 1 0.764499908727327 0.638160090424483 0.847251954986899 0.815964789031053 0.839774971373571 0.463991547597316 0.846708006733895 2.24827273381016 1.76549745450657 0.627681250011524 0.479812144244013 0.730472718690246 0.709758431658895 0.579185036444533 1.11446515135591 0.989561725219469 1.58443828584389 0.461349249812384 1.46027610444544 1.711097097529 2.68081669681431 0.363197014369453 2.05974948878084 1.54940801835042 2.98780449577841 1.22739802814149 2.65695544152135 1.64417999860682 1.15017066431374 0.551011215083475 0.573650358743353 0.947491118489795 1.20634824807858 0.948087863097035 1.90998212088142 1.20754870318341 1.53064295167994 0.703496876959157 0.961991780249379 1.30105417140734 0.660856340121207 0.999788701325841 0.870353170641094 0.591169572990921 1.00234518308682 0.670989388627023 1.31440546125804 1.1604964357861 1.80916711170966 1.19494044163745 4.74029070982423 0.696191979938236 1.2529570204565 1.35534632084891 1.58368356282072 1.40286994682704 0.576729282281097 1.58316576497086 1.02167785079063 1.58751248055356 2.10863770404254 0.982007105208164 1.19513548656744 1.03037592588293 1.21690621589616 1.62629159217034 0.845271321429401 1.02823739754336 0.907476722316391 1.09879722293171 3.83554461652774 0.492044953212436 0.435774490909513 1.02815612882253 1.44937423084961 0.642143636659159 0.721139155269696 0.96475491675761 1.24100123064063 2.31134975735482 0.693391692014768 1.73534492767084 0.910948057677572 0.480692873894165 0.429769893421878 0.996939652169875 0.780581419648455 1.03388209069589 0.613476675877122 0.962491002391622 1.38780504794855 1.35382775675111 0.807701952771263 0.507825016834235 0.676933615064899 1.00842872733183 0.485666519608981 1.02070262614067 0.906870689855342 1.61446351034435 1.42932872036594 0.969482434346483 0.761125687881673 0.644493463672882 1.21518331901456 0.602712053312281 1.32118095061184 0.40331808577333 1.14545475654213 1.01584275663501 1.89417187173474 1.1880604639283 0.842626605057236 1.00021129867416 1.80284904915597 0.545835558548308 0.968156593215223 0.587233844939281 0.67719831889846 0.73881626303202 0.817776952190773 0.536406064968537 1.66507766967748 1.27204123807091 1.36202196577426 0.818236700954327 1.211073443704 1.09718578029582 0.929238163791302 1.04913274665057 1.90459516567209 1.03782478463789 0.664564515754522 1.88083915759166 1.02330554717069 1.08302876912717 1.00291638609608 5.20038544593308 0.628968816030836 0.81761209278566 0.451224835721086 1.31336522163141 3.26903429540019 0.791996191979938 0.595409478254812 2.45218845055379 1.10781108505352 2.04364362504934 1.34134488123157 0.546281375531149 0.739621984349966 0.640590243109573 1.13947570065247 0.598163326909234 1.80341793020178 1.10023916223559 0.552710892330555 2.62063993312745 0.583260965472404 0.545006617595839 0.505296398634686 0.712104395476815 0.538721062530476 0.517739800775536 0.84836649871131 1.12840225694848 0.87652030557039 1.29851858731744 0.734123574894931 0.74111268488634 0.606236793832865 0.828290802702765 0.721506025495159 0.896106067290501 1.42721805558781 0.450256576961479 1.25980913460422 0.672168946060789 0.645484942067012 1.14841525994381 3-hydroxyoctanoate 1.77806528216502 3.91100058994407 1.11642434154028 0.552762655793774 0.769604438769033 2.07027428665308 0.471369043618523 7.80365690645279 0.496045881219616 7.1886252809702 0.752466190230825 0.343974729484508 0.365227651201171 22.3423094443324 0.560689562470596 26.3954678853866 3.13416746943866 1.01338575621122 1.48460171307809 0.645103837623496 1.38393037166476 0.503435117354064 2.96745973071667 0.641485762932097 0.631333497621555 0.792966970599876 2.61907908984325 0.447379229488242 0.493372463800584 2.70926585568027 1 3.46988006030739 0.368055086748127 1.04185512725309 2.96490695110151 4.48536570729914 0.226561503784214 0.265836314948581 0.298525319351621 0.440393948258662 0.49209028105943 21.7968338621481 2.05460668931944 3.63638170675908 2.25052693955009 4.10919087588229 0.285158681938538 0.427638635732877 4.32788766623911 0.22684278824156 0.295851241777118 2.12364514653045 0.752282154563934 0.578890914136982 0.750564444144408 1.6256291395696 0.376898670087086 2.13858697690467 0.376523624143958 0.843887126172956 1 0.775339979147446 0.637724371235476 0.239999399926491 0.298041510084985 7.3602578815905 0.611999969996325 0.490593847746349 0.851496808359024 0.709673184965158 0.664307627684391 0.478067313245873 0.331338088915892 1.56702071003698 0.56336026163205 0.518516018212231 0.618927068565899 0.473709279386725 0.380416601033627 0.288024032944036 0.674223842420697 4.72983190440829 2.49510565044218 0.507980977669765 14.2553387790004 0.915592160039605 3.01107885716 0.467914819565397 1.7334660995972 2.81770516888319 5.95169783298454 4.00601573692777 2.06425662143613 0.700379546494446 0.767291493207918 2.33138309442907 0.486427087318197 0.516194483824268 7.32184192563589 1.00015001837725 2.00689709489412 1.34912651799846 0.519044832992042 1.28903665699048 5.10179496988381 1.47702468552398 0.554516678293091 0.697780478108568 0.284888648859485 0.395928501241402 0.431550364919703 10.2479091188671 1.70133966410885 2.49099139644607 0.60952466677168 0.531942662976215 0.492660350892984 0.33666374130831 12.6743063525282 0.65952954236894 0.469932566739426 0.322355738577976 0.495923250598198 1.79019929941418 0.654980235078797 2.23501878980175 0.761778317843936 0.493072901430425 1.06492420321489 5.21682156064118 0.521527637135549 1.08644808989101 3.43318181477231 2.00052881477981 0.437652362414396 1.18882063052724 1.3960597673215 3.95466444639468 4.47901242902256 2.64731054554183 0.525885670994697 1.11693557460789 0.451334038419706 0.195087648236909 3.63003967986078 77.1631487357201 0.660257131498609 0.830025428114944 0.228635507849712 0.471751539563597 1.36144677723021 0.962667926821035 12.3167938072414 0.916946075894297 7.94523579138444 0.563656547927121 0.847165027715895 4.36389957769827 0.62144737730372 0.898865110976095 1.35229190575846 1.74030693759986 0.7141024775535 0.46048515943203 2.29424604514053 3.69985073171464 2.51857977602256 9.1739125542879 1.75877419983948 1.26153828844033 5.26181957289768 0.902491805246143 1.9755882595618 0.862830696760353 1.94347682591117 1.46834612239999 1.23831544364185 0.327501368917692 0.568550897484942 1.46537200807099 0.446994756857715 0.498031008798578 5.39857632559989 0.46183157436786 2.1582656375406 0.719244357433786 3.6529062310133 1.1786606359279 1.1498608579551 0.210141992394068 5.65627789404202 0.826575005438166 1.47813857197507 1.35503724206215 27.6649264534906 1.33953284277324 2.71282732134687 0.495011888956397 1.12288755372533 1.26644388937645 24.7446612209996 0.480025053069001 0.446544701725961 1.02491055154256 4.53781963290503 59.9551220024453 1.11193996264542 0.675045193036147 1.19110090986146 0.657316771304485 1.15530277458989 0.74623641396071 0.975183209943218 0.675030191198422 1.23404367034962 0.961006473292978 11.8386964903201 9.05257769076712 0.314727304094752 3.0246630212201 6.00741090783621 0.300190523339109 0.649879610252256 0.494779360471658 1.01355416038465 6.41831124312728 1.78647884365835 3.92853874599639 0.840950516438264 1.60044105402912 0.775403736957777 2.33059924840793 0.718903065625539 7.56147003007868 0.408432532985291 1.2967963575538 9.20842053151511 1.36710997097144 0.944271923310606 0.588942145412813 0.384129555870594 7.66618660785946 1.51257904093251 2.44944380686634 0.329860407899968 0.657526797032637 1.48217031586369 1.25443116781806 0.463590539841131 0.608230758267888 4.98785976282095 8.57620933564362 0.23695027640886 3.62889954019367 14.4420591522462 0.570868681413473 0.228526744526205 2.6395620963568 4.04832091931262 0.474898175026441 0.62844948506192 2.75848166400384 44.0279334218442 0.586924398238784 0.771090708611805 1.51454803213394 11.5050256156379 0.518159724566259 0.276648889488962 0.645787859012729 0.351234276198834 1.0452492930384 phenyllactate (PLA) 0.878717766489423 1.19425379398268 5.48719864909273 0.658021902752097 0.99199630994849 2.15769080773327 1.87836291577418 1.91113934299662 0.282799193098178 0.511805096388738 5.11123159428438 0.613132049997823 0.387062944676942 0.2757482054551 3.76348977119305 0.617097271658266 4.48876207086324 21.9603754983747 2.1497217614057 0.724769965673019 2.59869897969284 0.898912582996464 0.277356664066738 0.705495187491834 1.94330257630528 0.643511131523413 1.80128755874586 3.79594153723112 1.7196525927363 0.618892311468854 11.7238499273472 0.268456691385788 0.514673596731216 0.38697039644298 2.25473777670437 1.00800369005151 2.65399022219501 0.495719438728231 2.67428140242626 3.37715079506696 6.08605327147504 0.554577728129719 0.328343069960473 0.436179778998097 0.648998902979693 0.684708198581441 0.495254164154642 14.9633647305684 4.17881818146623 2.85571596148709 0.313333917566156 1.93307718595462 0.496906205643619 0.172353610083718 0.309249918964092 5.39520851656599 0.724338893047735 0.433608450681423 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0.53488040929873 1.39160805374589 1.11181972140427 0.590332555218203 0.762046798793667 1.24313300683012 1.38937033703065 0.454058150120277 0.361017449104659 0.348745607209516 0.695111097549192 5.42452028947917 1.10897934689186 2.00943909596245 1.11530852519211 1.57930671467586 0.343438658590544 2.19081366431198 0.628124539106643 1.06173300988155 1.49434976529403 0.827670384327846 1.08776172385559 0.7445010654583 2.24550295226035 0.905321697206414 0.467670079184657 1.47746771839352 1.6081071459449 oxalate (ethanedioate) 1.14562128857779 0.271075026998596 1.11851038844319 0.545218126321028 1.73840381594838 0.836059302852681 0.687565294449064 0.42158107175854 0.996074389979581 2.71791728441782 0.471379286154919 1.50522245490456 1.66416011480813 0.847320540733198 0.31798164693166 1.3889936955565 0.541616530910837 1.07276644617944 0.929394070658464 1.94002583937872 0.82814390904438 0.656764088108066 0.891347834717316 0.926162732720348 1.00392561002042 1.23397661243669 0.712158632519931 0.638126012742268 2.09723049298351 2.10918631752362 3.03553213422761 2.55527421859787 1.14368317788497 2.47313273997765 1.67057182916314 0.870480035509485 1.14403653966311 1.32348972686317 0.889269620360758 1.0595666630752 1.58326679003467 0.711056964798335 1.11722434289352 1.29164699992427 1.45533871290167 0.774394840682328 1.00185742782007 0.534578661086774 0.747887259042567 0.910468676828872 0.496292852403103 0.378086007778637 0.88734067200827 1.7037093884051 1.12889036104559 0.865503743371188 0.361514641449207 1.26938650799274 0.853443983206743 1.28355751383847 0.738396172699594 0.598126802281615 1.27771641763509 1.18095747712628 0.601648072311049 0.578735218774064 1.15669626358711 1.02053077333071 1.01634517948663 0.617613578017234 0.873121648843958 0.43285220260916 0.881819354298481 1.04518977244593 3.49279491710568 0.90718900972873 2.34528697803174 1.34558207393875 0.83409064507224 0.915724804154627 0.761975203351238 1.20934632676358 1.34524780600869 2.42351611954021 0.919274042166114 1.09278773978017 0.895847993006657 2.1942959300605 1.60857478111895 1.7391444847013 0.814000198977029 0.449712009813729 0.700172196843712 1.22322838628871 0.399094848272434 1.36398281586529 0.799323073745251 1.08882808005616 0.972460551456159 0.635737167350548 0.730938493437254 1.18215875249995 0.66215814933504 0.654905512447142 0.887296529771538 0.53929564658984 0.555480010179672 1.30953286141014 1.14875874810258 1.48442019129931 0.820890936916447 0.588189744562186 0.96355965692721 1.18719854916936 0.681555798188096 0.907964700026123 1.21757396794145 1.50494144540722 0.472710957560525 0.648991800579527 1.05982831534102 0.327031130470047 0.906280050312041 0.644959693673095 1.05708509435445 0.846462939012024 0.838233949979601 0.640930282475776 0.474738636259293 0.300216069509533 0.553952385521447 0.711590546720977 0.555808381246053 0.758028516727338 3.131756068315 1.95033947823034 1.08431394666388 1.27196748098704 1.90634668487169 1.01889986931708 1.21648911350511 0.988334571534306 0.357107494012367 1.00505049526495 0.653368115843382 0.866228720640885 0.788233768861645 0.789760551110771 2.50605148787559 0.614301225444091 0.386990440425797 0.977947835838391 0.982860091770362 0.373209638474239 0.983376825511045 0.769195491729775 0.779340792978217 0.877141793541199 0.489102890752092 1.296944236814 2.35327537502579 0.915866665846722 1.40241099168652 0.754683984126654 0.825618368292328 0.910918354805358 1.64682183898412 1.47087897049521 1.60314730778267 1.15131074222391 0.607084475183765 0.517068682540406 0.687221504817274 1.19943588917165 2.03879310744246 1.82689234357116 0.562635264575847 0.846955748334326 2.03983954802393 1.939673905123 1.3017483274178 1.56695926623472 0.560687783223204 1.02882782901825 1.46505826059201 1.18935528494193 1.26292657806601 1.00493407432761 0.777054494686378 0.582369034658985 0.401564454783987 0.701297149953116 2.02905519523378 0.334352339458518 0.875382843344678 0.93291197153466 2.46788749154748 1.2082877554911 1.25056944748999 2.48090911441996 5.44766554539208 0.978446036578919 0.812080854088258 1.81521621650992 0.945749275296513 1.19204998316445 0.339114309607415 0.371731210507335 0.84202057887489 2.87174026640514 0.457637394607251 1.72034292452596 2.63475407593324 1.03788052566665 0.814952121257714 1.6488444632283 0.410646972714454 0.587250458417971 1.21672279778888 1.08627086299842 1.95785427282952 1.05194825215697 0.998142572179928 1.01638628905061 3.31272727670957 1.75445931362023 0.580395438624306 0.703221380814655 6.94630206414659 0.476230037326305 2.24171648603871 1.31982861692348 1.11160328394654 1.50804707078772 0.674637260748445 0.499773181350377 1.34782220821202 1.08456195190232 1.08117630973765 0.724084653016326 1.43145489863839 1.21533636089547 0.704686161754172 1.1114214920632 1.22059114036667 1.12140083871935 0.517221158587135 2.01617341227156 0.71377642984834 1.18211124062683 0.765040730058681 0.789621553609609 0.73362072400513 2.5369353847792 1.52006538442455 2.09443220658028 0.774879731359108 0.637746481530981 2.78085156945448 1.77152770131745 0.299586958395184 1.10934427970947 1.18130353878372 1.65026072140377 0.626876539976482 0.773579725639151 1.05629912666606 0.544983929782843 1.32295344923142 4.59430512916785 3.43213741848955 1.1127140845831 1.65579686551368 0.863823137220776 0.952736553318557 1.00388999249161 1.1099001012323 1.43772073750895 1.07612522478634 0.714639562210101 1.32692877776465 2.26819525728732 3.77501257927386 1.84801962678413 0.447067519173442 0.36978474004561 1.18764115090942 0.611233171509354 2.48417816716547 0.968863801571548 saccharin 0.278526257904867 19.7809362431342 19.2198349009854 0.768183591127367 0.0532588192415165 9.42400521769155 4.2716882685065 0.0464361759947823 1.02566004437595 18.7729831000505 0.406499095216477 0.0960630726832107 0.121577328618655 0.815411372777206 2.49923077414941 0.987743540229297 0.0958252073329028 4.24452046473263 4.23131893779054 0.262160866034491 0.213078757729025 3.31692616582796 18.2665588173233 0.0705795090510323 1.0122564597707 0.547699036389562 52.9789233395784 4.80590315299474 0.355374056720044 0.507122337068319 6.06166317928039 1.85412224532408 2.26052157150137 0.871344738357601 0.0640275276918367 0.251452156486925 0.280059777448383 0.282025093706235 37.0359106831187 1 0.257044133398328 2.7499682211235 12.821359605345 0.685546082686979 3.35984078506537 4.67332420312395 0.269369916070606 1.56898116369272 5.29451778456464 0.0914391575447474 0.641427053937873 0.177973867262673 0.0648045903067242 23.6588363514976 4.54894554924399 1.9175794112673 0.0441654535425986 3.03081390400458 2.09941537920766 9.44654682437832 2.14091914459002 0.0532613970104644 0.516791958341485 6.47807368056868 0.336660443533634 2.61254420027214 3.89091278881472 5.15776802857114 1.35301855112641 2.76835243934656 0.0615614868756004 14.6129476538346 2.26985184964115 0.128627627836748 0.0528623648568735 0.571574320014944 0.102824285472687 0.334281725543253 4.31753563931915 0.982472429752103 0.0962253326833862 0.0632018295790045 0.138877559028572 0.257344789203804 0.641052339533254 2.8432367366023 0.450228752643174 2.28829907294109 0.229769567221443 0.0348230165283318 19.8213220233694 0.749628877990116 0.0308205361179367 0.125744869231305 0.0789741004919923 4.07172298988934 0.650920924207103 25.1020571710278 0.065275470355006 0.112411005328903 0.366866403813907 7.73286621148262 1.47816100339454 2.4471193968314 0.0443544687732469 4.25048939469807 0.591832110261095 1.84406022401068 0.464491112415427 7.79686057860768 0.48088016987053 0.260828859420199 2.8719736837742 0.102829812233817 2.34264371513305 0.363918429427129 50.1851995547641 0.121474893582214 0.0967249518895444 3.88066617367957 36.5738834008151 37.1540827842496 0.96861462889457 0.479400103239898 0.163225152510973 0.0854802036943082 0.14976417310258 1.09339231492811 10.0532658184194 1.23476354857857 4.15529203958487 0.172810767014963 0.113929759287446 0.836256437295026 5.5976960038201 1.22236481265938 1.75049657948754 32.5712891391406 0.158583778513942 16.3303157217563 0.188046942098334 0.194628209252019 1.88756688762658 38.9336158613623 0.0633930555141049 0.143680314450601 0.687610880645172 0.062832641935516 7.47450339287866 1.23125847666988 10.2952428956249 0.150259370899834 4.37385001917786 3.84543307147539 95.0336601859866 0.367204641595067 7.49485513806402 13.7251674332284 0.386374765250821 2.56162614998082 0.0949652311457307 0.225265256900438 0.0854680448198221 16.5322525199267 24.9348837003655 56.6590253667282 1.34239501088219 10.0431905328792 8.83685553820153 56.5467304233831 101.091066653845 6.08174300781816 253.93578456243 0.330079176379949 26.4866445817292 4.02898454607053 0.936855648736748 6.56601992507923 0.872277655636357 32.761341190177 45.641676863541 0.0347765917348393 36.2245500940102 2.06591878535055 0.0466447585855471 0.119653273113744 0.683277899919199 0.107957541210294 0.314408597871755 18.1743947367548 9.62235530663023 15.8442602927636 13.5519200520842 0.0394666012298149 0.149852601280661 0.0630161304050342 0.685100625739895 0.167646561415028 3.10707215407726 3-hydroxymyristate 1.1261387117827 1.98863843513493 1.06922546565099 0.846927030370772 0.904095721648588 1.51224742903415 0.851634857382373 2.13010943087599 0.848938829841602 0.734513595780695 4.21884620901326 0.942242872582035 0.81423545791499 0.77281887942364 6.59594845752185 0.984938028365562 5.56563140988657 1.47435369590438 1.12260302658572 0.787383645327255 0.726886733561083 1.48821294664254 1.01506197163444 0.625134079136298 1.347424151629 0.648249837516952 1.30468844899688 0.847807910656371 1.04333461337482 0.811336358240868 1.66610481123837 0.701289170156371 0.919444393291591 1.05520537908009 1.4967034567371 0.961912824613424 1.25218964064854 0.778619779947461 0.999340892136052 0.87661690086794 1.58070500448727 0.388452877659771 0.554958495995016 0.562966742587403 0.686555490256648 0.584164030091802 0.347345542030173 4.82471688907972 1.51387869489759 1.13641553739233 0.950064404991667 1.49378709095086 0.386332718682266 0.391446397579715 0.643730688182609 1.98452731382569 0.586744532029114 0.375150256802535 0.488207045914693 1.00270096551558 0.710885691250128 0.396651284614994 0.324787016091353 0.909785686689721 0.995663311182376 0.452863892505186 0.808154867976221 0.811041691583984 0.62160324976316 0.711697099495172 1.30845043397004 0.804238080774271 0.358996090956885 0.507903701415533 0.565168644707304 1.55319198366514 0.524153377669667 0.490081975465011 0.789866775886978 0.755461517479696 1.05928270822775 0.695382028727122 0.469241776424761 0.781466162211092 0.523151809061787 1.24611053221669 0.534935728378724 0.534490013139135 0.503095483734405 0.556729310595546 1.12969453017914 2.35360018310464 0.926365777329959 0.436836213416717 3.21149016027679 0.528619134606863 1.50768686697465 0.402057517916806 0.665921800207714 0.949526621160116 1.12959557795413 2.65283085106658 1.28381132994372 1.50176436119455 0.530002744848676 0.834954572324181 1.08062885429672 0.414441173762689 0.68747187390561 2.4566920529317 1.56024856798921 1.82881351119494 1.09211161466799 0.929442761300559 1.07739784903677 1.61336009919315 2.23138558068177 0.73825931850312 0.674391250214038 0.498628866343079 0.553993066460617 1.40367259031972 4.44640188198527 3.19341373990365 1.30183009989012 0.706998159488615 1.20867991708664 0.629955678007739 0.602898697874764 1.88115923822275 0.810373118724601 1.01185103473912 0.583339715034801 0.677804671749656 0.972198727044159 0.831550615783998 1.18445124968056 0.656638360593954 0.722197221249431 1.23225636026182 1.80903167073518 0.934136538582333 0.844358475516208 2.28951786173707 1.48790416606076 0.782798145205076 1.15434998283394 1.17837816442762 2.41719978970501 2.00693526029168 2.13319915985259 1.20606413652998 1.42802602357472 0.585267132287079 0.350129111142279 1.95625795382287 11.4303630169931 0.673913698171621 1.14962781056586 0.370465944516197 0.688704044220459 0.747486828598398 1.08471945323303 2.76471053892824 1.01402110005619 1.80057856935734 0.671427846188661 0.892004402083332 2.38769309666256 0.801210142689109 0.625769568662949 2.04229648323792 1.48151271277955 0.84484463209993 0.588289047193328 0.508950874092328 1.54908417564622 2.07381577849157 2.64696427480496 1.06025502139519 1.20434494917728 1.92088984724358 1.06050885536368 1.28087287908813 0.370571780374246 1.66854274348916 2.21810361072367 0.729571313147653 0.991778360783254 0.780784682539751 0.801653276566306 1.96968534052902 0.622668491976696 0.629122758409433 2.30342280048564 0.668269979529796 1.20085580767818 0.819481886149872 3.31708939344007 1.04872149423023 1.51568736947986 0.33811028784772 2.62129348627619 0.782105479630039 1.6153683991337 1.18113764082407 6.96096635882486 1.62274507239431 2.58379661617809 0.882935215548062 1.41461326458879 2.1365532100532 11.610114466213 0.630948642074314 0.620654168857239 1.61054555373235 1.93998590576134 18.7099977025875 1.27883188189062 1.0360401212552 0.739025983133378 0.673257171670064 1.16600225266891 1.02273750039796 0.89860236435586 1.01788367864792 1.31596305898327 1.00065910786395 6.98355414020412 5.28726175100695 0.495908970836628 1.59239771566637 0.941094170681402 0.632742688936367 0.56856141534379 1.02415466835086 2.28101227265726 0.405613774838084 2.14519905315627 2.69492340667558 1.61373095492339 1.07287013940217 1.74269151772923 1.1857255822478 2.71734856222417 1.06357465343059 1.72343541474319 0.551268868683514 1.32569823701553 2.12804331870275 1.16781006679705 1.58709731822261 0.616355340021357 0.74409147659952 1.1820755358263 2.4379479201533 1.17756933754497 1.73764667516222 0.45791561870524 0.917692399694711 0.465889447132408 1.05004229132051 1.07194515121191 0.61423259968146 0.798372364966782 3.25443972819975 1.51264996639927 0.622832838715617 2.42618465173549 12.794911618454 0.892847647131203 0.391301841285794 0.695042149345582 1.5811997656123 2.51798564246238 0.650668529836677 0.506261094480445 1.70585289504095 6.20154847325321 0.786809582361379 0.511147613487446 0.592689409616607 0.36839655233239 0.858255670177606 5.21349071613016 0.695006010272101 0.526992015846123 1.34432534803218 0.578061689398431 1.63811966679774 1-oleoylglycerol (18:1) 0.756360025080703 1.73278698886822 1.26855775707993 1.54497507845428 3.42144055294716 4.78545542298566 1.97609022750382 1.31440632072539 5.05708762031138 0.129547702580004 1.5604403596908 2.68712616094382 4.67962650374488 0.180303433796411 1.02027058338935 0.0966779789502017 0.133396313201903 0.800892953660916 4.05916008165195 2.04184023992809 0.309389420542888 0.377330435001837 0.191604022344099 1.56143636451686 7.07875680704944 22.4780360202285 17.0461047348806 0.845546293377483 0.963903446093719 0.776630563125997 0.911361091119421 0.979729416610652 0.813760791431497 0.742755029018381 0.664841972796469 0.773771518474437 0.66206045089064 2.42137694303456 8.14841948678989 8.24172223189556 0.303456414124868 1.37620181834314 3.41406186076171 4.35936418339161 4.61205367560247 0.848317397549287 0.0721211610096978 0.491280545789463 0.527814004678146 0.611403846511453 0.713174514104471 4.61884505828982 8.0642681368667 1.89366995955055 1.16914216794006 1.01898746648603 1.48286206841234 2.21321331151107 1.15347829188565 0.528629540292015 1.30738391509857 0.537485447309925 5.59893352809719 4.15404667520039 0.81989697606368 0.442855030358722 5.86916707676459 1.20259208325079 1.60745556289459 0.601528826064984 0.758665532878952 2.05904362524809 0.840810238028133 1.31376791193593 0.988058854143214 0.578271928663086 2.83064314086809 1.25697094692179 1.28157780571098 9.02366636570204 1.47966259828812 5.47971913837924 3.08695074893436 0.367539746621908 0.864588836281966 9.80748118854241 1.28355802743667 3.69782172889385 0.0673453807713523 1.36384684045903 2.09463678987652 2.45243550445225 0.787935541700902 1.06560499660786 0.751770383479846 0.24849159712007 0.722972536218439 2.01217405587126 0.416106125677792 0.0434057222653403 0.510533058995467 0.424225515077038 0.436798229343918 0.158037151977976 0.553118316832776 0.265726425426921 0.887668516130057 8.44149773330534 0.214072641365428 0.57053888085634 1.99313128411379 1.36743454626357 1.22470487835713 0.0785825956916451 0.923168054218546 0.373622981149609 1.55935553756091 2.41885658187826 1.01784871158757 4.31702659061754 0.932363097137478 0.302986994282607 0.173318683906996 0.248809542259564 0.453357799645923 1.24166380818119 6.29375693690043 1.0208048594466 0.227094453272649 2.04740170340864 0.235677433746666 1.2772117239934 3.21097299280871 0.308653529489812 3.4409455596151 0.307476673078904 0.661813518347553 0.888058499394169 0.244913591975246 0.518870101060887 1.35745750668914 1.59489834666121 0.456474599638757 0.814625897092576 0.864202934201555 1.41369006492651 0.752203700543209 2.4459603193206 0.413426357671947 0.593255712079648 0.4036557108825 0.85244099416756 0.763692693104163 2.9520689566007 1.64986017079796 0.361924602935621 0.106785741235729 1.15297144026365 1.05177146865613 1.78041846176398 1.37506267625547 2.35364873676743 0.869533410092376 2.95003152505118 0.853861518174594 0.782465876516713 0.386635437728038 1.01194114585679 0.587062118158828 0.576687382929545 0.840351136255435 0.125852759410213 3.82950730558567 5.02158102733461 8.06003745626685 0.183432893112093 0.532954391589639 0.662199064632461 1.75787652495914 5.34880745876296 3.5563544443583 0.217705909923399 0.249276335493853 0.378634978207682 1.82499437450685 3.73743340489253 0.773344043754643 7.37470347976687 4.02754109383111 0.311845799987403 1.53108668495923 2.44815937620928 0.438055485073746 0.600430108625099 0.44702278747756 0.520764105164737 0.480865417306109 0.616791061320298 0.413992595749096 10.3592668733218 0.83959524871105 0.712037412608645 1.83098345926593 0.31335983542407 0.691710051655124 1.11465114496929 0.098623091289246 5.97166625657747 0.745406164686583 1.93646957371335 0.768455486806679 0.845382639278687 3.19910297465864 4.29656114961545 0.839265593713705 4.30239655164674 0.488773526964501 0.371847697633178 0.976342884981015 2.38800584689213 4.56581284920086 0.381390216718284 0.696806832688452 1.95910449871914 7.42600561229732 0.277595229686455 2.85477362087358 0.779777381056491 0.43316564098323 2.67346947318019 2.47766243108516 0.64499976355296 0.573673449695136 1.26099960892842 1.60093342322123 0.209770414475913 0.414714211814962 0.71342494181514 9.53535166843132 0.531638743539159 0.129070280923885 0.870432662294993 0.508743041359417 3.53121284585847 0.916917187686449 0.575854308690333 1.14242145482039 6.18539267752555 0.869728040696643 0.497439658940292 0.705834212209267 0.939303150021875 0.749133017926202 1.86212253511286 0.159049871552068 6.50582384390975 13.2917384776228 4.44000702340321 8.06051627329619 8.93929623293873 0.937119748135294 1.75027063218613 2.63748126043403 5.17608326728182 4.9319362471806 1.13019207274854 1.8573935210539 0.352433485836006 3.42456379288303 3.18909739819202 2.18165934671488 0.303229029405253 7.74245039355221 1.70422382944352 6.34150389798564 6.66173714788947 1.50327115768563 1.20243369146488 0.521627401092487 2.68929793604808 2.38517978414745 9.19137116167158 0.390450695685376 4.13842761891468 0.370987562006654 1.9607532760054 2.54848672795398 2.67799120496541 0.13426675794984 0.205093765143219 3-methyl-2-oxobutyrate 1.17133225240867 1.80343956274575 0.687904303811683 0.943341172294797 1.17361758550171 0.768822881679191 0.936024219308738 1.21198177308945 0.949610770925443 0.671719685177256 1.97715393282051 0.981291129762591 1.07406807548097 0.76340216031805 1.40269489085429 1.21532682854623 1.01870887023741 1.24666873585409 0.651097111049206 0.89297078970911 0.646624603659321 1.0981466245055 1.02511628381791 0.595807991186125 0.677862266325624 0.646109466296883 1.25922363852277 0.449083560031073 0.732029823783366 0.57908349917262 1.02947158960514 0.97426943843549 1.36570453377811 1.30482075516703 1.11597638456418 1.74578010427213 0.319579313067586 0.690698977872826 1.01942199745831 1.18472701019697 1.2540640679708 0.706474737838351 0.597958773652514 1.16510532343837 1.45685438254524 0.740588458910798 0.927893970170655 1.10185625581524 0.932841576301306 0.438125040177475 1.17934461739658 1.29041142772233 0.587781639902745 0.687606021984626 0.851148811750986 1.0411844072387 0.982153417425056 0.662065937516846 1.04427565377184 1.13067244135645 0.763887090504917 1.41816239813236 0.688702817450586 0.943048257474292 0.905384816421676 0.882196804519437 0.830879279423816 1.34286249941775 0.560663576519005 1.03992961852628 0.770853811254357 0.928711896567902 1.04547867344524 0.890475088988719 0.55050585615887 1.14464495382818 0.485101413899145 0.754790513348018 0.870116792295107 1.01711485651155 1.82731594565154 1.60934130796309 1.0070031666413 1.38137719929133 1.28298196013821 0.861039018043891 0.790548389796689 1.02655122903545 1.01926815550272 1.01702633633869 1.32602913705591 1.33847885836083 0.92627215850703 0.842861736312812 1.64117242954359 1.05324805849315 0.989567867103993 0.736563660320137 0.855928046408013 1.2172721538063 1.26973653405185 1.05162453747447 1.05024240180991 1.11971278927858 0.919325095340805 1.39237360250303 0.862415170965725 0.347219096035658 1.24228404755987 1.57184550580335 0.931359687559198 0.806655154160323 0.857339485302202 1.48385413413932 1.18136800540303 0.573475070613152 1.31483127414044 1.14638910647554 0.924152436133153 0.962057262539905 1.34357725402732 1.6422748414619 1.05086253140711 1.39640938980481 1.03270148854912 1.70603109915132 1.60584628734491 1.17360179487165 1.12252968432424 1.12259622707488 0.9223908236448 2.00107286449509 1.07156404217785 1.04091884672012 1.02254816367343 1.44427877944967 0.836016501869577 0.550251162254608 0.932078105072469 0.911881586625811 0.982917743331424 1.14907108456808 1.02299979970022 0.861023023364381 0.886787643829256 0.975519776719158 0.924596990546106 1.25939041834451 1.40423554986015 0.737598186423118 1.42258657532362 0.994546730012923 1.34483228693332 1.22593809558433 1.21378519157627 1.12597488945204 1.08089174855851 0.748787136272899 1.76058821838012 0.919387120510203 1.2207781631356 1.21072214940166 0.749452197488872 1.07107626550118 1.11643522304367 0.747386686089824 0.977970137200774 1.50428690987493 1.0106591108289 1.39011749801455 1.26217190532102 1.72077147833634 0.976752832202931 1.50579358426544 0.614795921014854 0.76908059957094 0.810579100802316 1.85372096378078 0.91382243720211 0.903395737613265 1.28727219715066 1.13091529187207 1.53297928927092 0.994041615592053 0.700450726405696 1.15503917567085 1.12218317363378 0.758193228792841 0.841888136508118 1.34601528273313 0.957550181628133 0.980444062362889 0.721147597498408 0.999865021998484 0.985577255614575 0.913337590848406 1.1537116172715 1.12872218932731 1.05606580821635 0.93616614980043 0.999781019406857 0.979515027886602 1.35122039099421 1.79236293124357 1.77484521637291 0.646902004566786 0.782160096119477 1.18149584074232 1.27004421796304 1.05311765912127 1.26337321563935 0.8760212709702 1.2103471901591 1.09292988158382 0.637945838718565 1.96341589457235 1.06459793191236 0.899071923983515 0.81850379296731 1.36458669290283 0.575402734736116 0.994786406011997 0.737804529998479 0.954456737352772 1.02497337221628 1.40045421226906 0.892514715868254 1.12586243830831 1.01070990309361 1.02302263179998 0.671223074681662 1.20431927162916 1.10703059568521 0.743305600878902 0.735455387755902 0.899937712322503 1.83856997309048 0.739795073968372 1.03853161027901 1.43668851039291 1.32278588001903 1.11186758212398 0.929765103479777 0.712602897833008 2.06503705301815 0.951244981287751 0.891149673754324 1.08133630297146 0.59774266233394 1.69087937588028 0.988301601293298 0.681619127976178 0.991910049829531 0.684205992669187 0.945717293307075 1.15536138910007 0.715557762251543 1.23469231334163 0.231189905867648 1.02208737038739 0.668495554486395 0.954551606558722 1.0653688510454 0.586047499192177 0.688143003667727 1.8076921832475 0.586973725442291 1.00013497800152 1.06995712632262 0.911910035177917 0.676538558441049 0.715481451757696 0.67721778288468 0.835484770348453 0.826454003361447 0.643391599753047 0.877571045527634 0.850496448601189 1.69093456362943 1.36782176945477 0.845232245493667 0.795348136714462 0.588556221939487 0.457652712407665 1.1050415168768 1.11011610366921 0.800573268849135 1.5235419399727 0.679795856608797 1.52518682792967 2-oleoylglycerol (18:1) 0.460488770497111 1.35725110097346 1.47150445729508 1.24933134452708 1.70321651165106 3.65569142129318 1.05095602598754 1.01991820363076 2.67536562551528 0.0944434749196892 1.00669487097201 1.92927385860412 3.44384564681837 0.239805995985745 0.508899519608223 0.0654059411407572 0.623739740943548 3.75750908180152 1.10571861160791 0.320857871526459 0.18832651105921 0.993305129027985 8.61330095655367 20.324028090833 14.7450298206959 0.75452823643053 0.772054485996671 0.436607307267273 0.688292021869439 0.510581595808479 0.592874322321193 0.581756729887842 1.06412101830325 0.478121147141691 0.514415699040616 0.794481281243254 5.51545290415261 4.47741580269405 0.191688462362657 0.568092316344916 2.10208715087643 3.13421060097251 3.06712035331656 0.749709626365867 0.107641270417842 0.175144711360697 0.73993013987374 0.229833241865524 6.33067197452217 4.89426193605597 0.703639837498877 0.435586847906163 0.641671340014791 1.82456480649853 1.32639527406627 1.08892505864587 1.26267764953784 0.855399434447607 0.296291073363865 3.06861490405389 2.06734584984393 0.48658204911121 0.638463252411185 9.65228364456523 0.623979233644035 1.07160290073367 0.160414086592481 0.401769786708694 1.20528608051958 0.382480383676324 0.768943079428715 0.908990587976178 0.21980186213967 2.88716631199463 0.779825466871522 0.622657977875772 4.65409515306361 0.506071341103803 2.99590140826231 1.38523807007959 0.138888894369022 0.603100977739527 6.52352339132888 0.618593832064312 2.69594628266311 0.110449974670604 0.981570877070223 1.03444864875892 1.69941529914433 0.612157139237812 1.24446542151811 0.285303572579165 0.671139139406609 1.21024653063827 0.0594498018885758 0.336593280534923 0.54542342467396 0.271886627842859 0.745131514191228 0.6760677872154 5.79687296488398 0.26691907547134 0.900385814102241 0.962070221473101 1.18132773539026 0.369794024014532 0.738453818252009 1.93740737231994 2.05303189057512 1.12043735988587 3.33572297836445 0.611287507835659 0.13722231128535 0.304963476467534 0.891270467163701 5.25625784429029 0.621403404370198 0.208140831044863 0.928991636742179 0.240619591067276 1.38809641118824 3.25716448632108 2.13096696264779 0.38341780213605 0.501910841395607 0.808374392574894 0.277279526245014 0.680939538087626 1.46629087331708 0.360769506998304 0.98009203020304 1.07700984581364 1.00091804509228 0.456030919420957 1.54928661618727 0.758159728955936 0.474400028314315 0.646957704624486 1.95700272462147 1.31476928075209 0.157601042074101 1.12789677711998 0.628684870713943 0.725456616657995 0.573221484425292 2.45480372904574 0.58944026790329 1.76367419425238 0.583795002783886 0.656147230648147 0.264236396749362 1.10342478128317 1.00596569509295 0.596828978264778 2.47486033321166 3.12874944202926 5.58859537601516 0.510137696505033 0.402390839261775 1.0608696606003 3.72925249459726 3.02101931453712 0.93230278592575 0.295948113466065 1.25583447110766 2.54717192040695 0.427879956617861 5.41745104801829 2.78278158232748 0.607717599907292 1.11254533654045 1.48332586347316 0.569197347971445 0.642433569571361 0.513084736860152 0.66880368193413 0.389340844255053 0.541223625833435 8.61004492924598 0.461765830753868 1.00192001513885 1.56522288783045 0.812795702789816 0.338626655520338 0.588285915076548 0.215722722683345 4.97746190815201 0.577705294465124 1.75846469180109 0.556702354566478 1.17986538153243 5.46677035429707 2.51614707045289 0.89187265928982 3.67273371353797 0.571860613869019 1.2000622157348 0.913993888353611 1.5909434597149 4.14246377387437 0.492045338730309 0.693154465989304 2.09441608650797 4.64865135518284 0.532626585523691 2.82215923400783 1.06410442110899 0.715184233819421 3.62272793506615 2.3094043573347 1.07276711780045 1.05568533168961 1.14336469464594 0.85065007906583 0.488767806876804 6.0250193427883 0.991662152461615 0.943773555558616 0.464855310735201 3.28305172440529 1.05818335183799 0.442388754355999 2.08978076174108 4.74927220650542 0.999081954907718 0.590462518827382 0.790324490489314 0.948889229358614 0.487712017536567 2.06382273787033 6.68120910803951 13.3776647800584 3.12724368551524 4.85202862634026 8.33720612604029 0.521609018535341 1.37889575830181 2.07202149962411 4.16060608416067 3.39297163427296 1.2803166468402 1.23315824044211 1.2996860685878 3.39931142080528 7.46935738934759 2.4325275130424 0.702553981954991 5.69004600721013 1.85930042572876 5.04440932161214 4.81667803092881 1.33863040393156 1.19022614796179 0.643032289484984 1.82545937469951 2.22165539230063 8.38226881545589 0.608279467020117 3.30135273058539 0.32161770695797 1.91315530957911 2.33419074623015 2.2517701280114 2.24093295824495 8-hydroxyoctanoate 2.13523142847481 0.297096093180094 1.37178075044566 0.493504736783625 1.59836374440209 1.71006101537703 0.35771532920767 2.26297724121606 0.485965980183288 0.855698391764132 0.725633704836302 0.513096808166302 1.1927636632415 1.75428146301637 1.14547070730494 0.915469789417238 1.85124180543679 2.39986328304275 0.678753798364228 1 1.58209297719291 0.980806485118142 2.80425320173722 0.620496915414233 1.27086865993227 0.87772528104272 0.341997710111741 0.86548838872061 1.11215379933042 2.98477272617478 0.792470422276651 1.86140960564297 4.3293813288443 1.08322446387169 1.85729924557336 0.305238127204284 0.25996220121142 1.20103327016323 1.00187961189113 3.08522542433271 1.31626793764233 0.774660869475413 1.42141001874448 0.538493315501118 2.38990844637684 1.01124152496424 1.56457551237497 2.14779997624666 1.34586924304311 3.57597195040716 1.04898093020134 0.580087474245703 3.64317065739942 0.632497147017665 0.452346158414103 0.372230283439277 0.900767852440139 0.661675023366055 0.676967525057189 2.63901124152496 1.10245950314215 0.697986646493543 0.572352148386064 1.01101948290018 1.41957688077374 5.13098932648962 1.45852460794084 0.558495174457933 1.82205652261473 0.365803973003816 1.41224174700631 1.2743975172599 0.738664236252756 1.04525010714821 1.08567725411423 0.262642197286956 0.331999359692653 1.82352819676025 0.927934440789644 0.965012883603485 0.943676190377833 5.03354900674905 1.07393742544809 0.671240905311969 1.85194699907569 2.77554387396273 1.15199295661918 1.4504045812958 1.06580707126518 0.429155672141983 0.563189040416819 1.96879534434593 0.491151881935587 0.378382914121359 0.477697681984127 1.62940663131206 1.79748989192232 1.0953903034747 0.432625724864064 0.436945217575404 0.824393128056306 0.149808682361082 2.0304843098881 0.460409383600903 0.7214766313637 1.45169294164425 0.475250055510516 2.46648197586454 2.16587058562303 2.20134051441466 1.20467889102898 0.556207624821204 1.58818426393056 1.00579116685687 0.513291541230113 0.347506157794451 0.516366565628921 0.286868019229876 3.83035211740345 2.03143444337153 0.311566326030043 0.893352680254264 0.410320824963725 0.440497890600391 0.613326654858848 1.23376640142107 1.0554072406368 0.823933552621387 0.977860340705474 1.11829420057111 0.498711639651549 2.07609329897706 0.372811207444089 0.734881775510309 1.14930779677471 0.971116458480716 0.699641634436142 1.0453714557181 0.380794394212448 0.525839499734066 0.674925254444714 0.541289496377616 6.26689456100218 1.11711169748576 0.429338985939057 1.24818106239382 0.706630795685155 3.17304306066912 7.04778293580919 3.09069643751581 1.20800435822098 3.22986259210873 8.1253530727007 1.07418528635681 0.983129966900241 0.433346070630031 1.04905838673531 0.884724022369447 3.27606541462483 7.61148060746578 0.795026774141911 6.88925006583805 1.155217730317 0.609280841900887 2.72259458733741 1.02868215453095 0.110187083348394 0.64009821488508 3.75110633749361 0.826925956717289 1.44345156642931 0.448457840408557 0.538087959639982 0.661700842210713 0.109988278244525 1.13003402923726 0.72477369782657 1.16984668770042 2.31343044661438 1.20138957021951 1.95774746071663 1.14400460608189 1.38526621810727 0.433149847410628 11.7296044036621 0.945444781236929 0.903272280371998 1.08404808501629 0.953461532503344 0.636499067939708 0.823412011959289 3.31043546063401 0.996101354456591 1 0.903662144926339 7.5257465518933 0.203013575548521 0.691204036001797 0.518475965237508 0.630328364066365 0.700093464217663 0.643413354539211 0.371925621072308 1.21117491234502 1.59425427430973 0.398229860010224 0.979450781536428 0.302700134774369 8.96667561719948 2.107912443134 0.483579214797296 0.919112141569889 homocitrulline 2.30302140784045 0.784945880913203 0.607572537767598 0.592246376212408 0.944863854734283 0.971762157156205 0.583737813903107 0.808251403623374 4.38848325987911 1.40700943466433 0.682107212846358 0.327728486732762 1.2471948204437 1 2.09054714438096 0.36956431861217 1.43499508008302 2.42503121459934 0.557339771947378 1.4100358037656 1.4842149218188 1.62404805807983 0.674127851691377 0.385531309690169 2.48674516483789 1.15855776147912 1.31951760007277 0.360439733084168 2.68978476396802 1.80357128091486 0.727358045924738 6.19541073298616 5.6715667766134 1.67315898583041 1.76719906533401 1.3812361527666 0.417059079154526 0.246717626860249 0.854681522536706 0.446128473830065 0.370856515947026 0.341455856266608 1.95721694652029 0.289892499162933 1.94422280955468 2.03674904360587 0.897973940486283 0.440147893795727 0.338998083649757 1.54470296571229 3.0741855511466 0.742870678416482 0.352351981534647 0.675232063602881 2.58612890126878 0.459514429618653 1.30078150045237 2.46275227789216 0.549411915566606 1.58497837872495 1.05096850489061 0.847721395444928 2.10208305134251 3.94657728448184 0.644784179068326 0.947820418747462 0.331329120687322 0.416585334577655 1.99238802886636 0.716255494368495 1.02724209416475 2.99233103703757 0.252904802273974 0.584586559901974 0.562883359098389 0.932874311645568 0.812568123045358 0.62194114168881 1.72002051705837 0.46402390807218 0.949978984263131 0.512983450997713 4.41507861310385 3.0924728042117 1.75687998233253 0.288831026351597 1.1469356206054 0.645592750639377 0.497456739639954 3.9109752014305 0.496844077480391 1.58061137984342 0.416407235112666 3.7475119504741 0.234336152054199 2.13154782683033 0.901909938662544 0.606542661945844 0.416606706513454 0.352836412079418 0.245071987803749 0.773632018009418 2.61690092682962 0.529418469626917 1.52384751836206 0.741004196023395 0.533952882005543 0.5181518974717 0.510874753332241 0.151088900128944 0.328290743814606 0.306035434669554 5.88624430972209 2.45483041368944 0.328486653226094 0.670886436657144 2.62908649222418 0.473954734239978 0.507544293336943 1.01245627658135 1.18249852177444 3.17178761994999 1.49849684051549 1.8877332212494 2.40302840330268 0.19851322566627 1.27732580091329 0.207086933910851 1.26380805152061 1.06296528485228 0.414113314003605 0.354026116505546 0.257955703101068 0.876099764196308 1.11200319154241 0.534173725342129 2.03933860982682 1.17716622379266 0.394173297903413 4.10775017631847 3.21546473274394 0.376922583724559 0.885539035840736 0.600109709270433 0.388994165461527 0.397774469085495 3.50629759708202 2.93383604875651 1.89872908221784 4.09759850681409 4.47872423791239 0.279281333038876 2.48689187937679 1.36695257567446 1.33277528834303 0.338478033211988 0.74604084889329 2.0296998667816 0.315104259426805 1.069259319945 0.513670914932572 0.284535267256057 0.455183050630116 0.411434698050167 2.88422466178912 5.32753560208305 4.94002322417023 0.281201245271459 2.99299712903662 5.17760078648724 1.31622628605624 0.978335981078713 1.16087012274615 1.07003583361236 0.98580547264036 0.268442199599632 0.335325672681679 2.93759394746778 1.4175648816351 0.314064158551268 0.334139530244851 0.654141524958859 1.53221463122725 5.29308760356484 0.472202235504485 7.96991900036332 2.01915281646494 1.93193038448113 6.3350015316554 0.569790056350671 0.486293465174431 0.662106133033176 4.28782298337976 1 3.20758917440212 1.39014112601606 2.42833633727764 0.408859379786423 0.349310042672632 0.462962435260845 3.66020046875779 0.793696703735102 2.05257852405411 0.286836312343718 1.20047588177045 0.894440447100897 2.5412264641557 0.638515077900706 0.599411559367676 2.04344914547877 2.10756495287488 1.74816023252666 1.216166444636 3.36058373880645 1.2244943756189 4.65088586673886 1.53916763434043 0.711108419830307 0.299616729951343 1.34339001645639 0.299021877738279 0.558982980815126 1.18281910081142 2.07143569540717 1.09625919883737 0.230881022433409 0.909105157048108 0.801141261371651 5.99262312016015 1.91280606393058 1.77214310648211 2.92192119454873 1.36870863639926 0.948005642191051 1.81178804738871 12.4164855988773 3.8597039274494 3.75773485976448 5.44693704540112 0.924232925604291 1.17708786002807 0.655366849277985 1.29840565358942 0.655156691909298 0.380741036253927 3.28675438658982 3-hydroxypalmitate 1.35342281879195 0.787923444431805 1.5559373222614 0.587338755545444 0.630299738368786 2.55965817313161 0.665168353998408 0.970391878057104 1.48902229552952 0.398332954157661 0.420517006028893 0.780442498009328 0.585158116255261 0.484346490729155 0.616171084063247 0.697270503924468 1.20535490842908 1.20630360596064 0.691656239335684 0.505580138778296 0.569136616994654 1.90730519849846 1.57462177226709 1.5547343874417 0.964749175292913 0.622285860539188 0.686774542145376 1.28195995904903 0.96606017517916 1.0296081219429 2.67908827209646 1.208216926402 0.484589921510636 1.80434535320214 0.629674667273348 0.711384939142305 1.04780571038562 0.504294164486407 0.59472585598908 2.81046979865772 1.28317256284837 1.11917643044022 6.08355477192583 6.58857069730406 2.57319303833466 1.77396541917871 7.56555113183938 2.35138152656126 dapson 1 0.000476432926236164 1.51235297438914 2-linoleoylglycerol (18:2) 0.59538932806073 1.65030451755658 1.46131391605384 2.14945968943512 3.40202744225404 4.44603003401643 1.37245237618462 0.945350958140568 2.52314658398783 0.150389935334839 1 2.3528333376602 2.16321222405564 0.680840510938105 0.939703218153375 0.872689567103426 4.61686631672912 2.47739878265596 0.945240759221534 0.203976746757256 2.06791194470955 9.84304279004056 18.3084809051779 19.5004773773601 0.84737994354257 0.61238102102294 0.910617239213895 0.779127598547698 0.803118466016523 1.04301134613154 0.926174893854114 0.746533953521473 0.52470806817664 0.597798068967281 1.20389550733454 5.87350128728804 8.00285606117215 0.193746294184248 2.42080161790572 2.44039307492205 1.67739369201031 4.44345305587769 0.520159578480518 0.178658835452248 0.388631081282876 0.304703998355379 4.77004183908171 9.22708788930827 2.24426558503129 0.458222911323197 0.635505465867298 1.18062354690872 1.23152959850658 1.48403131648931 0.520309024918832 0.494831841375514 0.18540287242686 6.19522678497014 2.48541600523986 1.08678255199807 0.820093369682055 21.9575226327868 0.362110141077675 2.9414339302862 0.562214185166979 0.263456307699559 2.31603848044472 0.792874223295952 0.86687863113694 0.566159713242837 0.282640635670781 6.26230620959425 1.88235273219944 0.487330861743453 5.76413325743381 0.468086376251895 5.23985004672274 3.35128593212834 0.738480456562422 11.6670034935177 1.88947618786531 1.93871156565039 1.65538882896163 1.51263242795871 1.44843464329492 1.18607490771801 0.596733944011112 0.356800174125232 0.337521583582776 2.28296605469811 0.236138872451491 0.605875992377048 0.152775707066981 0.184592640627381 0.720688751502902 0.235244325387291 0.717025774300115 17.8992103378093 0.621012240279084 0.888483233518823 0.941196852814324 1.17240896645472 0.766415335336137 0.220453391125605 1.74185436977478 2.57865471442526 1.07536778093473 2.7392641622112 0.450242803094133 0.308253765736432 0.403134727858865 0.407895224546826 5.53726669569543 1.91663280832476 1.38035527752571 0.251622091878297 0.711754649211196 4.10982442175064 2.04495258865034 0.135408420418647 0.723275524877325 1.00151968791036 0.101023423893691 0.269749400112286 0.986613175420632 1.86180586007669 0.280008862576421 0.868281201355155 0.697426501542958 5.00152134579478 0.408793561061127 3.56699114227881 0.231299270992695 0.265372348406305 0.328508139679604 0.365916643702994 0.497719165510983 3.135305750005 1.68271976412568 0.521192677313995 1.05870012151109 1.00693433842182 2.25590677573809 1.36000498312688 1.92156998812363 0.716334673338151 2.0402908545056 0.519951632406288 0.521979935572243 0.429313433351921 0.825466336242407 0.398775676040858 0.80423262628905 4.07160165963704 7.02396152192369 7.22368235787164 0.0914853779923186 0.276478752967761 0.348774355654339 1.57583027147739 8.01110640456146 3.55126895065508 0.265887476779256 0.303200534028255 3.49081206376176 5.22064866622606 0.441546015114932 7.34320990344363 2.06828612764029 1.60216197601823 2.54642212555703 0.267955806011892 0.4999518621417 0.38261675029312 0.34242371096822 0.292991281777944 0.247171145895368 16.748212948622 0.334939073339715 0.73553368542851 0.774639863096642 0.47925175413053 0.879060055323603 1.81529154430394 0.239044906996829 4.05675506782701 1.3070095234802 0.569139642065123 0.570094109809027 2.48290265246112 3.4892870469372 0.619618196323594 4.18222683956191 0.214183272254108 0.310198227318927 1.09648236005058 1.7434556492826 2.17418538960935 0.333695660025695 1.48210390743226 9.37236214306193 0.0895956265956398 0.713931214612309 0.36289124147951 0.290060852647588 2.39910109506819 1.8713017483457 0.301665569897177 0.249051423666797 1.10716031991011 1.05216237272629 0.0730688873475827 0.347074313603285 12.6237233549849 0.387936664552075 0.141692512887387 3.56364529468126 0.385644284082285 1.38960153576939 1.35045343730953 11.7247873970469 0.422582659452659 0.482133630931481 0.669659305936162 0.998480312089637 0.496775829276747 2.35958541994864 0.160642368633679 4.40032200852224 12.6295970026397 3.14662175852511 4.24452918865387 4.55736368903915 1.34646314635437 2.02727669865949 2.16881052832395 8.28005978331214 8.06313792283898 0.513202384937789 3.0091175353606 0.36605330074722 1.90953066831571 9.03464824488658 3.39248601781728 0.201648245005002 7.68577169249986 0.847330515956131 13.0278850238208 10.2909513734211 1.7345025997404 0.430361216304535 0.759168248860767 1.06483026756952 21.9699262134855 2.34432269914952 1.09312206517452 2.97892793377747 4.79752766801859 0.220005762332558 3-hydroxydecanoate 1.50616744849416 3.38327253056297 1.3559012360967 0.699045567589381 1.75551149006707 2.64554347465972 0.838787116438799 4.81868065320479 0.611727466721414 0.769380170204307 8.01834782660647 1.09272164497157 0.627412897791059 0.869676770408848 31.3030041836868 0.80428894432378 22.870912921417 2.41928764897222 1.24647580190952 0.646063787781766 0.764426876182314 2.29467754436104 0.801790572339003 0.533909696887735 2.08098635725959 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4.42047924857905 0.295239608994256 0.0334191022950919 0.215562226427986 4.66164545297042 6.36021780767313 0.637364427343968 10.2048453239946 3.19821364902837 0.370185924494004 2.22676877974061 2.94378366492003 0.442680774854819 0.553596558771644 0.438858221522174 0.409548187089614 0.417615544322114 0.695979591610234 0.200308266678613 17.8527027107996 0.276897622794027 0.614401955084341 1.19674403907317 0.536292476701828 0.72236506936607 2.11571885251702 0.408887886507987 3.86928776350874 0.467051423176803 1.75110811700239 0.74307074355463 0.523982287521591 1.52899145039935 4.96405662202631 0.49487367030068 4.9341572772883 0.176766419718429 0.253254928180114 1.32062588850032 2.6659178641999 2.64878213122163 0.123412853482213 0.51140130886552 1.97294762320738 10.8454744697554 0.127555975440904 1.01909213701032 0.655764813664556 0.219089163913286 2.85429655373811 3.20212453570324 0.337513711703584 0.475428958364582 1.17650953503316 1.43996514397665 0.177334569460787 0.0557751992790341 0.379145463651828 12.4341592871626 0.182072133856716 0.0954256702608359 0.441488300016233 0.197046051124173 4.06159273611719 0.423578247173731 1.98264530449254 1.28198953181635 13.1722534808937 0.673279161449105 0.509614138775321 0.92991376274175 1.01519371408408 0.567304052996163 2.95061893130156 0.14539733861803 4.88802846325797 14.4424853746253 4.00235221021576 6.17643705315217 9.02020899506969 2.1176754082377 1.74752012484581 2.85025197882235 9.97528130212953 9.93413912521625 0.63665240094145 3.85704042398184 0.276874692530319 1.95613612466358 4.58604030321241 3.42342885916022 0.222274119395077 11.7423947432004 1.11692389222998 14.0471881062568 11.5319258415552 1.98916000224803 0.732602307087906 0.238897473481858 1.02944582103276 1.51271642395686 20.2969672412994 0.161517946040969 2.89854142033593 0.210354326170942 2.53117205021814 4.17701162437963 6.34236610438812 0.280121789785202 0.146808725422935 2-palmitoylglycerol (16:0) 1.09225881040598 1.68562262312859 0.847291088749961 0.835659377318043 0.814670421590344 1.40325913846936 0.863347269302947 1.07853055656139 4.01703013063061 0.883259991709952 0.625130006960601 0.918962418360822 0.992623840698221 1.40253893064248 1.2917464024598 0.707380874424316 0.194026500162301 1.68920987192325 1.18022504015263 0.795986975933715 0.674347083896231 4.43481586624943 0.377651856653585 0.759238948121006 3.3680024625439 2.23153469844591 4.5127894397921 1.07352325486992 0.944734861500537 4.20211485715746 0.659328993171112 0.319177999514052 0.863001043752669 2.98559059139696 1.44342928309393 1.00737615930178 0.839371334223977 0.539250813377729 9.39770507961141 4.05648234694788 2.23873631380554 9.62320156876821 0.879913588698387 1.43059923060348 1.19596543934859 5.0416503907667 0.294819219584134 1.00913440017507 1.62334837193299 0.969266871254137 2.65610579114018 1.33926558473493 1.37603272185643 0.88601286189185 1.31863166021918 0.782920737728009 1.0495297376838 0.739034329920084 0.599671126770621 5.49139565598055 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0.362491040312661 2.24388751167668 4.00976320706421 0.60879067592786 1-methylhistidine 1.66893195292452 0.817502875851695 1.68326857639308 0.557630459090507 1.06962859280353 1.45506994553982 1.22720595924737 1.08795038250839 0.259766231467851 0.446734400012871 0.911219441561889 1.79531658501661 0.9710226769956 0.399127993500173 0.710316866568526 0.237345045892962 0.953880187594018 1.52268745324227 1.63149520155095 0.928056246028107 1.14404678588379 1.1818921897499 0.389416865764092 0.496014029329665 2.49845629107641 0.75920393207359 1.0289773230044 0.576293328828503 2.65701024044534 3.41991939570915 1.30348883043335 0.445838260491831 0.628346646716703 1.28166614378454 3.44097787001955 0.925120061780534 3.50283062294835 2.81312757046372 1.74850243368675 1.42527261064785 1.62821416443422 0.557416141568879 0.720045277893069 0.67570312794778 0.512370675017923 0.588102478964646 0.463053993887484 0.87816171754141 1.45142210315813 2.77780779534392 0.601299475531072 0.788949175565031 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1.32016149115195 2.17335094140286 0.73036561898653 1.89171942798928 0.634273855789911 0.370442591404747 2.76887899483077 0.646891295325058 0.935338640908576 0.516759612119383 0.480235445043957 0.27839867184847 0.761550013206052 3.26959514017281 0.583161151567747 1.21975625400898 0.38672150322605 0.510613892766857 0.725053012866468 0.577703656189865 0.880667094291212 0.359796249481191 0.413861072331434 0.577084858317926 0.755011885446931 0.752092970607101 0.277767799871713 2.187679885296 2.60190318077199 0.692694411953364 0.777527072406897 1.27814058785798 0.83390408632985 0.336779987171264 1.31324001056484 0.947651209297061 0.66962079764555 0.87866882994378 2.03058672603101 1.61032939667208 1.69228238312644 2.04456552088443 0.38413160774252 1.0038229634381 0.501422480473909 0.577881749235936 1.74705655963476 2.10585669546844 0.556205712560842 0.731968456401162 0.844544391200996 0.574775685771422 2.34910764819077 0.734271591895257 1.10707165226578 1.07753235482775 1.59252612911746 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2.69369354412708 2.28786477002604 1.12294306304947 2.74355355997434 0.847508583933894 1.15304078783534 1.31810587480663 0.773089838886164 0.614925102818549 3.00103082669886 7-ketodeoxycholate 0.493236757665973 1.25383412915827 9.66641171828102 0.415691819204013 4.34797712168351 5.82444518254203 1.86157216816842 0.540699818082646 0.832297795966128 0.328536037614536 0.558891553488882 0.614825807277304 2.18612247882964 0.418769482982957 1.38137129728099 8.38472625551923 0.354626094322777 1.16770220403387 2.0912692924711 1.26786109420811 1.05477263926536 0.714886319632683 0.656773800962549 0.379501576589036 1.05658433368369 0.786220058638048 0.395875974995851 0.732553797643414 0.31375504785086 0.294773745643636 0.324473087348564 3.3423134369641 4.20112573989047 0.982415500359573 0.76030314764618 1.14422332245395 2.72105437849201 5.83505282956243 4.76345632571776 0.85633678154561 1.30922581180506 0.69838745367041 2.07001299994468 0.512515904187642 0.61888034519002 2.11241494717044 0.364281960502296 29.2369378215412 27.1503568069923 1.3450171488632 3.35005808485921 0.881430823698623 1.9307891243016 0.296004591469824 1 0.368527687116225 0.442758754218067 19.4389486640482 1.13515793549815 0.957397521712674 0.64098716601206 1.34448470432041 7.78409719533108 3.34900011063783 2.6974401172761 1.68367953753388 1.7847817668861 0.435857719754384 1.20575869889915 0.440324722022459 1.33857249543619 0.681605078276263 1.12340266637163 1.89084886872822 8.56677684350279 2.02253554240195 0.30944017259501 0.406026995629806 0.559758256347845 0.306943906621674 0.497718094816618 2.34067461415058 11.4310588040051 3.48253305305084 1.06881672843945 0.473619793107263 0.665043978536262 0.436238037284948 1.13935525806273 0.727879349449577 0.437565691209825 0.776096697460862 0.626154782320075 0.660362615478232 2.13477070310339 1.60080489019196 8.94703905515296 4.47747137246224 0.59375864358024 0.333061348675112 1.41803811473143 1.03358549538087 0.163778558389113 0.287098246390441 0.325690103446368 13.8893967472479 0.715695358743154 9.71476185207723 0.164338662388671 glycolithocholate 0.381882812408648 1.45012189988424 1.39746670408438 6.3952450275371 0.0981513312519732 1.85681586978637 0.29347324049064 0.276747816325815 1.08730311853229 0.826804235217081 0.369122788554858 0.446656376796342 3.01981677015002 1.43042206007881 3.62819366003672 0.91269688146771 0.587029793851802 1.7610279931245 0.275326950989314 0.366467124410586 1.25082536793737 0.722255228583676 1.08783870167179 3.14511810845974 1.62582442788277 0.853253716975882 1.00128599469057 0.345721999533733 0.430890946146152 0.924088711072339 1.62845658075821 0.457374164291462 0.589906821788209 0.581356085161426 1.60446638740778 1.12774589948184 0.559971723157681 0.343785487061089 2.82127681975769 0.494619127478924 0.858228485910462 0.639007753570327 1.38709568251724 1.55481646374021 0.508742507764851 0.507614442246806 1.77046122838815 0.998714005309428 14.4580021207632 0.692297568642787 0.463680050537335 1.17265418775523 1.81107910747456 5.57194801874093 1.10738055666273 1.21571620879741 1.46775988749427 1.40791977198036 3.06415684622963 5.5297207661821 0.683889720314956 0.77882019387686 0.389280369403855 3.64676508411609 4.64911146039362 2.19983304630333 15.8340352407668 0.410427837648811 0.490843868211866 5.30140406554813 0.626967534274391 0.492949590512217 0.758996322506411 1.06542027960984 0.493133841213498 1.21579517338367 43.8137601431891 0.703950485444195 2.22137909769799 0.524708395063585 2.48224800896436 0.430375796226245 0.478679561708944 1.23161065194667 0.753401117536907 0.489508990682179 0.79458678960074 1.14559565619571 0.593794887607072 0.531269976160215 0.770784607169984 1.1990396402223 1.81963736453813 3.43283121883719 0.469403102932218 1.43081198155989 1.60313527009649 0.626050040986381 1.18407021079784 1.04159929608712 6.20509735205421 0.270502590790473 0.383782930112581 0.502376458024682 0.64954388550887 1.50697520511991 1.49185536695971 1.06725526618586 1.20461228388145 0.260380082875213 7.37521339239383 0.575475103594017 1.40904407728001 1.35200532446925 0.829105594452926 14.064514066977 0.612930639011514 2.01695482473622 1.46002135804048 1.19810710606072 0.687416805168044 0.874732084439464 29.3046716953321 0.293090222680133 0.824593332380745 0.695832173932662 1.2487309262922 0.61724360950884 1.93243263568748 3.25269419647893 0.610268404388927 0.331309082431508 1.21971708116807 0.653033368178024 androsterone sulfate 0.203593594129361 0.518788933478103 1.32751319727258 0.0402512598487222 0.00742874302890624 1 0.871269534777929 2.18223109414125 0.0645110163103944 5.23265902463788 2.72732966199366 1.50306902356655 0.550970555410819 0.91809048602262 1.75461317644263 6.06890311773919 1.04526384990539 0.622044605142775 0.146937950013139 0.601842494979931 1.41317374485726 0.282504685009069 1.38355492426814 3.95249690901377 0.0588156812417797 0.181406369986751 0.0559178194978175 0.0987442454997497 7.18022496863186 1.80383151727714 1.1031884866502 2.91732525130179 0.268820212987737 6.24964161507241 2.83451639197622 0.142302595234008 0.1782454782378 0.860808564428284 0.332832160302127 0.342388239516846 0.120221102077124 0.132715179700058 0.0137930991432451 0.256276159116091 0.0957409447712979 9.01834560464427 2.564455375396 0.67958676009301 2.79736113235225 0.403996067354359 0.194238112330093 0.50533772374725 1.32858615146928 0.180307183320589 0.175419716287707 0.0846250409650588 0.511052919053044 1.24502342421074 7.07358691615038 0.0565721687292249 0.0621013436539272 0.407387630893116 1.32664342452286 2.12945120866431 1.62157886359026 0.153366188610933 0.0670893116309555 0.566591363785328 0.433639975655051 2.67943569656206 0.0262074002403284 0.352288144321853 0.476451005789728 0.101383479767162 0.274842116762122 0.0361974437803337 0.445766007584388 0.53878169134974 1.58543722592425 0.315662853665007 0.0305480422603349 0.590255653178108 0.865159693503332 1.22410649354703 0.0951727711106603 1.32542567767912 1.15592315735264 1.47669295713104 0.665622497229982 0.826808658062704 0.386444482591801 1.81832450568829 0.386765086845925 1.51351949936797 0.206147411788574 2.65631598495607 0.435855740570234 4.12555139749372 2.83937564568736 0.32470406841555 1.34473009878431 4.82239061158882 2.03612191201486 1.29676006179872 2.64501693222429 0.533061127670532 2.14933978370449 1.63859972846018 0.169934237425678 3.69040265921753 0.535117963763479 2.29062875513039 0.662157898843615 0.374192106618393 0.286964153622872 1.20954571700557 0.93175349178358 0.738186925513819 3.14035062969148 0.996431280138579 0.643092307932396 3.63762655472152 0.912641458200034 1.14985302517205 0.50941768754194 4.0971321025609 4.89404878353283 1.32710697732487 0.0414395979962234 1.0998207837201 1.1087482638618 1.43183133319808 0.0870984878041168 2.93248196757128 0.242158585496028 0.629959768410868 5.01120903884268 2.84097229981741 3.50563573089468 1.09979856115108 1.07520554315767 1.91172446511338 1.12946918647295 1.02434482435743 8.65998171007662 0.0190212706190796 0.30472885032538 0.474437241529986 1.28638699105791 1.17558101718192 0.307232135332948 2.07143906740118 0.38794875076078 1.10271233945598 0.213600212238019 6.51784878041168 3.34710641551835 0.542466892429657 0.655701243777213 1.17251118151032 1.61802924515052 2.29293665631486 0.310574135052045 0.616258805536915 1.93964350255154 4.04086280996895 1.60800911375022 2.68714118509964 0.122726384618986 1.22109146522262 0.0760025593408137 2.92281989419311 1.08338494670641 1.25697542096475 1.84934633811389 5.26503996629161 0.638947424273163 1.68052972112549 1.13335201860204 0.0150228311927465 0.710686870893741 0.402258587056602 0.376456561431982 3.18127711106603 0.308592955570468 2.4273137845472 2.59966940807441 0.710223068399944 7.01589887482639 1.13353978682564 0.0470525445153639 3.90322508153997 1.05338922267826 11.2192643455734 0.539731768598137 3.40531855990262 1.79693390970521 0.122554471823843 2.31509717692224 11.6710665272554 0.876417047706737 1.2416729349709 0.503595249613758 0.103962171694315 0.773760514365081 2.61869255138189 2.31393885672373 1.15348678974391 0.80444064358058 0.229351893756145 0.0884915182821205 2.37031064779413 1.94998573635669 0.131084817178795 0.975424210739868 0.313617128856568 0.358922205402706 0.365228296321728 0.216125969506391 1.10914602287801 0.457102014700604 0.846695360414488 8.57212927792256 1.72944658936625 1.87273871315095 9.76157755270838 2.19211910298226 2.46350536057055 0.393343841196024 0.47856239953807 1.1292259866727 0.708437397587353 0.0748270104090264 1.88161425740102 2.82753176547699 1.67222547168339 0.495039186004776 9.05404953260819 0.238532311677773 8.18018408526975 1.85873400021848 1.92093372243637 3.9563820908566 22.1982425443593 2.17197908831286 0.114530126874639 2.04807340938529 0.241947845628053 1.41022837435041 0.242239860172599 1.62694062017198 0.0150943678896362 0.0798672888153685 0.345728366547543 13.0421969131853 2.55773978994679 1.59779509667754 0.267483200424476 0.387254732439645 2.12111549805709 1.80668999204107 4.10076811435884 0.810955476833284 1.68392527973283 0.248062422946675 0.271015215593252 0.0551047300987843 1.76051012032023 4.3852465862451 0.887308104059052 1 0.278318200970677 0.010197662260647 6.90079383261287 0.236534278000593 4.02114752102873 1.15894030805724 0.344972299817413 0.0498220009675557 0.0798963779085192 1.28770386554097 2.17801239095492 indolepropionate 0.913576281655343 2.53519456454602 0.803545398394071 4.65948116121062 0.847609635577517 0.746843730697962 4.09645460160593 3.4612353304509 2.46003705991353 1.27729462631254 1 2.08774552192712 0.468202594193947 0.876269302038295 0.728375540457072 0.835367510809141 11.1787029030266 0.533588634959852 2.5353057442866 0.33041383570105 2.59440395305744 0.138397128271069 0.672748935475394 4.49524567620593 1.80542862901477 0.719411979314163 0.569141160172365 3.08313879768037 0.132927168402818 0.440755283078077 0.305465622679923 1.86064869029669 0.983317132659283 0.239244410767453 1.25488635290936 0.491219744922301 1.07379598376361 0.440066435520042 1.20366160746405 0.150178972800727 1.54958044081141 4.02619151492886 2.23682068787807 0.196908350108047 1.36724504348669 1.96632811084833 2.9150140703492 0.564737638375442 3.0425223046288 1.04211920124299 0.731979620317431 0.277927028082019 1.11960179508571 0.457364163088486 0.734740113124077 3.75024938832888 0.242132467936698 5.35269760357588 0.550307557678227 1.65818873912833 0.173492635709347 3.86804232075294 3.96254200056639 0.819055054227611 11.5611377720629 0.732382723703244 3.09704841577818 0.379034541878105 0.40365446385974 1.87839544442148 4.66131406601201 0.819861260999237 0.257577960960203 2.63088741424486 2.87640288907768 0.957661388053342 0.616156281651908 4.29582685944193 0.271018142203649 2.22584505012004 1.02178544184468 1.19136440290949 4.47417714607905 1.90511762709875 1.00042096239658 0.618324875816093 4.78874576167405 0.582606854288331 1.39336001979799 0.359307988845772 0.816952793531977 0.336810737857786 0.201031230307252 2.49425067417766 2.8712748017012 0.284611400682214 0.981669001094502 0.544500827892713 0.565533639998061 0.386764942251613 0.24510726887251 1.87355820379172 2.40396061832998 12.4455874211333 1.70624988838118 0.509941090777352 1.22700588581969 1.00716146331632 0.590270921193288 0.253103003120224 1.95190823530012 2.61335496824923 2.04242790700048 1.31981661347233 2.01799678027549 0.287060636444118 1.34263022407956 1.78008414145357 0.314538000147975 9.93860072099378 2.88750098862381 0.906457052906044 0.354241132363334 0.332580703593998 1.51814858186698 1.98708538393046 0.764238096331504 0.192479315438605 0.775290272707094 1.20207980936782 1.71427623807592 0.728280253802056 5.52938445092471 1.09558397689554 1.08397051732452 1.02958217568674 1.11849963899285 1.17479634349511 1.12745465724731 5.02738806865004 1.64634056113012 2.3204927045941 0.892588255404264 7.38133835426665 3.08382764523841 0.263282639255636 1.96247566709783 0.277309616567039 1.73091063095885 0.718672106011088 2.34078054082187 4.36179804520371 5.39400804675999 3.26312190815876 0.311782609915833 0.168548241015004 4.6354491158514 0.777474174594792 0.706114670156828 7.77945652478958 0.637464632780469 1.80412747251626 1.0142132212808 0.967167484354231 0.119680884990522 0.970269849652642 1.74780525514148 0.500297224964856 0.343239981732783 0.345602473728119 0.675320633025393 0.445102676555456 0.999579037603423 3.4934674289913 0.457879523113387 1.96155720368712 0.806053694391505 1.5306549919762 0.505859031174179 3.07492875530349 1.1363178291607 4.57245783359994 0.492367824185693 1.22939389068755 0.81079398610569 0.948517574542235 0.190213772358844 0.824377039435247 0.126094821142007 0.236009378531938 0.699756862324886 0.218997395135716 0.547705244681204 0.608252393745264 2.15969527425062 0.66884546597986 0.89655805836835 N-(2-furoyl)glycine 29.5227710285864 3.75116942028881 4.83511113988209 45.5531627693982 0.354578301409538 0.187581967311376 5.05387604984092 5.85614991596478 0.283739363729869 0.434110868955398 0.277544013599081 1.09486989524967 1.0389582988681 0.930884923289386 0.816208608755488 5.52985348380554 4.58800681872127 0.639084891161796 5.87515314550681 0.885589816992618 0.961041701131898 0.535015476387421 0.941750761831464 7.45440159966626 0.586779257085452 1.33252774600983 3.393581371049 0.601462850319066 1.84139269321193 0.997253423890734 1.34577004888607 2.03140650072769 0.320931447550099 46.6039482031571 1.09127141097884 0.533664216143598 0.398074411314699 0.890845990222786 3.62120386610442 0.494652386461171 0.40373922454006 0.395880135836101 1.08228533044744 2.13746314885995 1.92466320856812 0.935761465835728 0.476448856215248 0.29201029966041 0.236847408291973 5.70792252864127 1.64050453408964 14.9958055006157 2.59458148300183 0.334029928723365 4.14784490801209 0.858245325969325 0.937963204836362 0.573780647087361 4.95751763257081 0.399529798111729 0.538172183453372 1.95103183192148 0.301996492144643 3.6201440459753 0.294532970108594 1.13069373437325 1.52260327648617 5.63338433406725 1.6789640631414 2.16760831436355 11.1961264320633 4.07527708325559 1.43322013658245 2.50753442549539 0.739575325596149 9.39381274023212 0.43326491771467 1.35071836399597 0.566832108071799 0.209695115124827 3.44955778631936 0.647878493861253 0.862506997051909 2.4392954435198 1 4.38655073329104 1.0394820315707 0.503093629883942 4.83467552337948 1.83987759823861 0.724364667686681 1.37550472067769 7.1707653841848 0.906817927379931 0.368839795499496 1.4742023360824 0.718767026159645 6.01241930066799 1.01843489942904 4.45979027503079 0.726185767063477 2.64961003097362 0.6831884166138 0.633384334067246 7.87361271784155 0.638108743516065 1.00321677799754 6.04476620517222 0.341053102959287 0.58715527857596 0.349442101727805 0.473978430421316 0.307392618576706 13.2352726051424 1.16231667723999 6.80490353397768 25.1939172295406 0.69474941224764 0.848968168078516 0.397731089301041 8.17379557413143 1.7908497219838 12.8881068776356 14.8174721050864 0.189715266634325 0.539545471508005 5.35195730865395 0.752867858342352 0.462708512146882 0.313296264507221 0.856745158040079 2.64131059446953 1.47625480464231 0.834697913945591 0.629697354181438 0.581744225099825 3.25291637123559 0.206299212598425 1.58682688360637 0.743224987871777 0.879680561256857 1.75688323319775 0.608889054744934 0.301071015412173 31.9170877337015 0.672202112176736 0.293129827965817 0.808194947195582 0.5271634884502 23.0583423517558 0.207060491846102 0.652991006455947 5.58334888233758 0.692338694629996 0.864335559950741 0.385617793036534 3.72840989663022 4.37284024331082 0.690472814120984 6.17372840243311 2.7114079934321 1.27782960779192 3.63688472590215 2.89639885061761 1.40475426353696 0.828309139082733 0.221368063589208 dodecanedioate (C12-DC) 4.29267574360477 8.05771359844572 0.793155289655066 0.360957858541625 0.718719257397499 2.49246603857956 1.60986847177463 6.35856475413628 0.593132160424344 0.427021109277905 7.81563535996793 0.727790541686584 0.732832713983933 1.02014401800996 16.1378070405378 0.768496445808212 354.424416757899 3.00437913434999 0.93868595130526 0.267736265091823 0.979855981990039 0.910691872388324 1.20447781906774 0.412112007154642 1.05134380830494 0.283778699520454 1.53597057961852 0.930458112963163 1.07578523738301 1.81594374971089 1.45193129076527 0.479899156554053 0.840380552942809 1.2426842243227 2.53306400629115 0.8449786440103 1.74427227032686 0.440167276891843 1.4853193126146 2.8573299322679 3.87432022072221 0.502999068755893 0.922602624835875 0.411639972930295 0.532935385540845 0.879147651356088 0.556081139703968 48.5217442607021 1.52048447830086 2.21367020076698 1.87243228235784 3.32081185976968 0.411070815041038 1.47408422842666 0.5930278158566 1.09786160902786 0.356413148472702 0.478409597020019 0.479210119904909 2.00607333113537 1.73907118522503 3.34768027671254 0.443658574675944 0.513410493559377 0.934758541706433 0.401149884028296 1.154384077461 0.663267914880818 1.68607471932534 0.718756181783477 1.92170145817789 1.3454198407052 0.430234777629319 0.74083071601682 0.762174136863963 4.44469740350634 0.395745197730309 0.791881402303239 0.585422848450144 0.556467519246676 0.621488023969414 0.786393424606824 0.427298755834736 2.83917009376066 0.470302567573039 0.367173934419592 0.44801749119367 1.65140236107978 0.8258966839612 0.639090272837171 0.751244454470261 10.500504954103 1.47495878811015 0.511349031448287 9.83909258648713 0.483966984215123 3.2119152972751 0.342128673642321 1.32567746562784 1.5756025612105 1.20499748390567 6.56602289356632 9.61736625657221 2.86893057314894 0.625983445834562 0.396779399260789 2.02607252135788 0.75775043814746 0.612788700133613 4.28551365921093 0.844840849803629 1.6800846795884 0.717485987957452 0.439676783101101 0.755272519044231 3.99767015449398 0.733315980958661 0.681531867636086 0.836289599565034 0.360156634102044 0.79343154777398 0.33057430576041 11.6647220438784 0.665600074036799 4.85584225534598 0.748875276914979 0.931676759964601 0.77659974434168 0.628507637936918 2.6756505694471 0.630890697391938 0.666354323922562 0.602497585127858 0.587574542909531 1.71234158727955 0.603827933852748 2.47315992526911 0.662786675689902 0.383383366013639 0.645587001914545 9.28830970518315 1.1143949516158 0.933842336323726 2.91020840201982 2.34162198430189 0.529046139964254 1.26056441490685 1.00292329671982 5.25463221641882 3.00611613365956 1.50927021696253 0.737184403685644 2.06645959499558 0.65333772926825 0.385972340314772 2.14343704269263 140.655315899981 1.33035103853962 1.16499910346064 0.38319364671722 1.02426209026705 1.53160156634102 1.55612394222816 5.55842833758467 1.45263206603157 4.58418504572351 0.365420187752694 0.701026682168121 2.79643235176734 1.53178897198748 0.562369640285273 46.4652379878186 1.22095472765448 0.848253483489216 0.693646138807429 7.24535216644398 1.55754452330135 2.15971588378536 16.6246854882091 1.01281183663318 0.915018480279026 3.52913984278749 1.45593827181917 0.906282138043925 0.451545807377073 1.35460734468179 3.77083528547548 0.545461486404415 1.89938167704917 0.569706224296795 0.374068611289455 2.49172233886874 0.695950534163934 0.679079398682376 10.9653773852285 0.571628867410505 1.4157455447778 1.28780995679259 4.80800291519895 2.6339285197846 0.560495583820646 0.587229809066037 9.82167311596592 0.793540289321927 2.65911722685916 0.736647636895776 52.778330354509 3.19087265092228 3.64407734531804 0.565120570083349 1.48773013586909 0.561448807602654 27.1470474934495 1.16857369264317 0.408169497995801 0.618073076633871 1.20855356388855 39.9915736868591 0.997076703280177 1.09387519015311 0.384831710886302 0.547192096571749 1.90108683706699 0.632857299854818 0.661504913614095 0.649547970639782 1.68403639371381 0.581704812970322 6.69071937161267 31.4227674723953 1.32390520976129 1.22082053595701 6.62664746337203 0.38040107121993 0.341763116949221 0.918197435319023 1.71773470532776 0.681268111541064 9.29466067431328 3.23288622047927 15.6957989900918 0.702278366794496 1.32858109632303 0.572656127991116 4.19925153423913 1.39687541573398 6.86010631221549 0.397607685945155 0.35046938173489 6.2459710678073 1.41967643605361 0.755302596493664 0.448110037191923 0.708897719319556 0.456589564281872 3.79515174651651 0.770574999855397 3.1215788347302 0.576212207973995 0.654221543551568 0.514780174333524 2.47344450421374 1.58359853545958 0.494780984111009 0.905694470955017 8.12433786230312 10.8139189181373 0.318726104334045 1.89783615887834 20.1183663317658 0.983500205336434 0.552393181673579 0.438725872969049 1.30725618467554 3.37839629353277 0.491018989282017 1.58307333691949 1.80356417775773 14.2651604805451 1.08429205203399 0.735004945426782 1.46820293023767 0.546447101285811 1.25603891559227 6.5123392736296 0.40618438633327 0.535644669639707 1.14313973867324 0.444912572952275 1.40542435232262 N-acetyltyrosine 2.11146246783269 0.994231691891656 5.3161828848083 0.562895276311772 0.82453275613905 2.18728191651764 2.47244242596066 1.36873827801282 0.488089915819776 0.897568914380425 0.655229096698216 0.507638373969556 0.410915623500676 0.290904283159593 2.09355508788764 0.443205609107166 0.379508875997732 5.82043006062721 8.03207190212413 0.627750577921228 5.32060725345662 3.59723797269595 0.415936995681947 0.957623653334496 2.90029223186636 1.61054651720679 3.3491952719501 1.00576830810834 0.961835390587517 2.18023509399398 3.15346534653465 0.454366031316788 1.07735148514852 0.509481179395473 6.00342118462948 0.684247830069351 2.7616318863167 1.38748855552165 0.774482294762355 4.94477909564177 1.69920503468158 0.473716959161361 0.688905744905911 1.14777228969567 0.796763842263236 1.22030880091497 0.739477746600731 4.42367236643664 1.29011345218801 3.64821229099938 0.318172794586058 4.26474448813182 0.587509888918189 0.272703030231201 2.22680659794548 1.10969217686571 0.626244818503166 0.986364404042679 4.78003490380712 0.542117161828628 4.79816532789727 0.726316226122152 0.55205496905176 2.50103555862388 0.447189473153995 2.67111013662263 0.634001878524085 1.29965718416944 0.828100231408093 2.16388789300116 0.757602244747392 0.658007875578891 0.723744366649975 0.850049926073855 5.82365577379489 2.4389138930782 1.93859833658766 2.10159733806619 0.984225138444855 0.419050130518905 0.86398181920539 0.529924533109728 1.89861006995576 0.603619566280196 0.339162486407367 0.879427790897158 1.03412750852595 0.431210166548642 0.532807504614829 0.449835406919724 2.13124779628977 3.14732488096261 0.283428987937742 0.641827086895072 1.71946287248259 0.95379245568135 0.612757371132951 0.220042133458173 0.684203508751137 3.5618949982074 0.925214593228424 121.038764559302 3.13659299731259 1.44827392081162 4.46215840639528 1.2844452872453 1.33987359962548 0.958642840423231 4.37472407325651 0.66895309319435 2.22744659984178 2.99707850986225 0.444327242451089 0.443536128995938 1.87334777288229 1.70978580677276 0.517325977262155 0.411023440069452 0.534114175153112 0.320066133529285 0.798239402190821 6.34158916026418 0.426703486528849 0.478712529518606 0.507485948106513 0.286984554028308 0.287648259698547 0.956740612564778 1.6833501728894 6.67034272694141 0.586615071452064 0.542247532585282 0.506958539136412 0.378270750431853 0.57400170074578 2.82920541986791 6.00568001682968 1.02805934239805 0.692221310285364 1.44618798870515 0.373722588807671 0.348469180649424 1.60499438516855 1.02164154560458 0.221491026640079 2.74386887072258 0.402365636638923 2.26543782351948 2.34259064471302 1.96002358525507 0.3810233511803 0.803883863359595 0.353032157132317 0.50297926808672 3.50822965401379 57.4629347049917 0.342086939516858 0.572597252140006 1.27223488069594 0.508122987031073 2.03088898041179 0.743519240057008 3.12518851907709 4.64902118228499 2.07730689572414 0.794426057558689 3.38569003167417 0.408783433432395 0.52072746882213 0.34991807383133 1.6898894515243 0.245461468033979 1.06865205526535 4.13988189594636 1.75847632141132 1.69124945555394 1.46827398007105 3.76978302157932 0.292643830055793 3.20240356267722 1.42147384140397 6.55642831534316 0.711575441705012 0.306080906906391 0.640671527915638 2.04745199245035 0.312735741439234 0.321026136373737 0.325515038563077 3.52706230240682 0.268202276154892 0.224723628810752 1.69879614458117 0.40884565583898 0.397752289636414 0.436854627717416 2.68574425405705 1.15012192628719 1.92439681302759 0.410090103970678 4.31540241600716 6.50167259754844 2.27310303141639 12.9924118293684 4.4465642861164 2.24448961330256 0.372581844686947 0.639044856429204 4.72021843027683 2.04933347950661 0.278148972293251 1.46833620247764 0.878648529328976 1.71840805454238 5.37672407918246 1.88535373438144 0.639693747240733 0.514831155055274 0.519115612194407 0.569823910589365 1.38505891869309 0.363343298794959 0.320472060657958 0.822058732025873 0.365583305432016 32.6265055600165 5.96052136450775 0.662161961961369 3.902479711051 0.502312599444739 0.642301162373814 0.547444585020993 0.546697916141974 0.20105541053455 6.11612478851789 1.54310383141876 7.71108062542408 0.420970136207811 1.50329334309139 2.5967780645276 0.373355180311645 1.2978971789546 1 0.374881110758847 1.77910749365183 7.82788097149918 1.14796784583065 2.42445755394831 2.01126225559187 2.00788150483409 0.692665756046685 2.35097585474327 1.34774028960086 0.996628138157446 2.64721673249402 0.636884850029185 0.36515960047289 2.09256027425266 0.228305861646998 1.10736328107639 4.64100041777902 0.133490765898566 13.9476650301186 0.281686760553365 6.37491074047627 2.46987991075529 2.16931605723276 0.662890853009935 0.440093155831573 5.05077348377329 2.98467551014966 1.7114124782592 2.43898204142827 0.562419444205761 0.772025991188122 0.825703187268703 1.32691059825362 1.50893780426016 1.19364205523572 2.18811018699315 1.82191058343877 0.421607175132371 0.643889315227601 0.419450131704094 1.87916704938385 1,3-dimethylurate 1.57526982057205 0.500277515881422 1.17250823458696 4.59828303711442 0.260435930187184 0.629772000707726 0.314790263434071 0.513283194656183 3.08254219089699 3.53050372162127 0.130177973722033 1.61147534228979 0.198386287564622 1.24391585815424 1.18339073508988 1 0.244267297480059 0.271320313376164 0.244375730970729 8.80423282118654 0.621388403800247 3.00036208084336 0.27782815579089 0.317012993255043 3.66788855600237 1.70310011695532 0.745806430940289 0.399711617027412 1.30835829982216 0.130339490843841 3.47045836871365 6.66593396029928 0.324395597353285 0.767390294310845 4.66084560296073 0.791393370395886 0.60777031898361 1.43261611419966 0.617972667702709 0.692189627825753 1.03412531842287 0.515234631590753 3.85802585833988 0.461217296569845 0.647515901116683 4.41983754425878 1.66449204543634 0.197987727702389 0.425134178188635 1.34914846916705 1.08978964064277 2.7641123411891 0.228710127048721 3.60565551051797 1.65895509236266 0.318070397487864 0.325994520723521 2.11125174231379 2.74820000961277 1.46937853469407 1.34340003524681 0.972988128234295 0.765797779451111 0.825858339875355 0.465764134770976 0.476008138808338 4.0999054744701 15.2336991524745 1.66022718169729 1.12634378454588 0.256061649871029 3.66218818591089 1.38780780877005 0.895788006472596 1.32392136757614 2.18339875354471 0.223955012256276 2.76804396238204 2.20572600413349 1.30650944454235 4.89325664482433 2.72720572920839 8.4622138199529 1.78557764711537 0.682807568450903 1.13025618020732 0.564202060336126 0.627755258983931 7.06260153483827 0.56190781357643 1.38077446849416 1.86150247528718 1.92446288671356 0.613304067802041 0.445667045836871 1.36594837944791 5.99518720861304 1.00176554464329 0.863437845458769 1.91294358908631 1.34819680535752 5.44118749699601 0.307163112613551 0.571863434641204 1.19782751493984 0.876876491981351 1.74092635019306 5.59552365541439 0.332124261018633 1.09066440232629 5.52638543986414 0.332662575900796 0.249947930852172 0.671070381466588 0.264661870964641 0.416251982632937 0.621221782527196 2.27426181969656 0.850627232965378 5.15593187753336 0.952919877597449 0.821907493150904 9.19385423842863 1.20205072336062 0.830440424884246 17.2472819904834 0.950285979781149 0.299742057452297 0.925783039876957 1.38685294070526 4.11135427848182 0.87420414310204 1.00930515724883 4.02970024192127 0.768034349616291 0.392450774628707 19.5476777160069 0.219481871925918 3.33707803963664 0.930387554672605 0.797888395789609 1.93389621417242 1.08537417690693 0.557963375362481 0.552109201018953 1.14040405658715 2.4609193008315 0.253331624397199 0.355496098819232 2.45752599452072 1.64385984587532 1.20299277440441 10.8479837223833 0.784734927984363 0.676604130285019 0.0918820193216592 0.168870660236795 0.650672092538892 0.16358684332794 2.0646778922409 0.291183491676947 1.48619767050643 0.824381178204656 0.568915519810308 1.17460627713604 0.865530224137655 1 0.595238476697054 0.715170546485733 0.28572984923979 4.56843808577791 5.03479500777032 3-methylxanthine 1.46142376354243 0.581709710415168 2.73615332285993 5.26670320939801 0.171444139377893 1.09266192589982 0.254764829578731 1.1539493067485 1.70882947432302 2.21569184036699 0.254299888577297 4.80972656575 1 1.45783311391381 0.669475889138489 0.763207995027578 0.183578283829352 0.117390261688372 0.197495517805609 0.62573651988963 0.434564698781329 3.98387201080708 0.481181018624971 0.490227638537595 0.587110542653484 0.3988991722235 0.681359939066452 1 0.462466227868476 1.82595136813061 0.599286473902047 0.352210996780869 1.01904532651184 1.15625359277995 0.927680932398252 0.4543537307427 0.421860628880202 0.884639428604277 1.57869265923201 0.152078782478731 0.291413974476891 0.340466199126236 0.405966170383996 0.499270665670269 7.40395062083238 1.82304480915153 1.86617613244424 0.45000287422396 2.21273568636468 1.19492627615544 6.89025494366521 0.497973672108531 1.57710824327432 0.86200850770292 5.2576346573925 8.90628233501955 0.906246407220051 0.751613158197287 11.7206901011727 0.764629799954012 5.08789017590251 1.70189267647735 0.196237640836974 0.311785036790067 0.258741233616923 0.56341975166705 0.498706599218211 0.991463554840193 1.12769099218211 2.3070030466774 3.76522260864567 0.337757243044378 0.815568234076799 3.76521183030582 0.891138767532766 1.77108602552311 1.09799666590021 2.42654920671419 20.2960666245114 2.22654992527018 5.0051987525868 3.27120099448149 3.03779245228788 1.66463914118188 4.41106791791216 1.70294536100253 0.768560301218671 4.83004354449299 0.381032277535066 8.54119840767993 0.784627213152449 0.648902765003449 1.74992455162106 0.654356604966659 10.0048789951713 4.09192846056565 0.37322157392504 0.944664003219131 5.86728630144861 0.491697085536905 3.30302224649345 1.51591960795585 0.733056449758565 1.82755374798804 1.51705133363992 0.561716773971028 0.668580420786388 0.557064123936537 4.21700031616464 4.64965365601288 1.72520263278915 0.319344245803633 1.70100525982985 2.09489609680386 1.43577546562428 1.48155466773971 0.972274517130375 16.3255453839963 15.1624367670729 17.5972817026903 1.78517331570476 0.343832633938837 5.56089043458266 0.741050385146011 2.45694053230628 5.10461456656703 0.761716055415038 0.529428460565647 0.294234306737181 1.28602480455277 0.517791446309497 2.84491406070361 0.26807886870545 2.11136899287192 1.01666690618533 0.56366406070361 0.447638825017245 12.0390391469303 1.12336528512302 2.38231489997701 4.61741204874684 0.295631898137503 1.60458941710738 0.814116750977236 11.2110327086687 12.4399610542654 1.38643222579903 0.569620889859738 5.54346545182801 2.49851977466084 0.658409260749598 0.138591486548632 5.40983200160957 0.391900436882042 4.39559740744999 2.24756768797425 2.67696956196827 0.518513595079329 1.00360715106921 1.11052468958381 0.754199959760865 0.393757904115889 0.528609306737181 3.38618432398253 0.661348154748218 0.24032105081628 2.44947114279145 10.9659655955392 2.36188635318464 0.500265865716257 0.352563089215912 0.264640578293861 0.508913687054495 0.58768538744539 0.372503017935158 0.306306047367211 0.199348988273166 0.969170355254081 0.705815992182111 0.181083295010347 1.65232668429524 5.88935674867786 0.225867297079788 0.19326281903886 1.2527628477811 0.222967923660612 1.00035927799494 0.287382875373649 0.395539922970798 0.466044636698092 2.47657148194987 4.03087994366521 3-hydroxylaurate 1.53291769153376 2.9859128345451 1.57659316550372 0.872468114994834 1.46901805302823 2.98598659785707 0.728717521769669 4.47189427981787 0.624545284436212 0.570462674950576 8.05081098964873 0.962655696181935 0.594512768917442 0.741163995910475 27.2846542480346 0.879236983622918 10.3541018638796 3.07904552443817 1.36020848983178 0.554955023362902 0.650865769755415 2.23154954480986 0.938586076632488 0.498746294885111 2.19927375680345 0.680842962790206 2.60207242364006 0.830050956346764 1.03734430381807 0.900351731675105 3.98872289130488 0.524330231839174 0.721096036035547 0.933788207090498 2.87249089484118 1.18780952794192 2.65166733873121 0.640927866033214 1.31728073703699 2.08422553502863 2.25846941157148 0.312031514657194 0.534949813813545 0.452991161800428 0.942968416695609 0.5888241345241 0.269373637543813 10.5997405644427 2.41803499176488 2.50603663116166 1.14430403691287 1.71419476582915 0.227381892496455 0.196294373421432 0.542630163985443 2.62858764238573 0.410283451906536 0.228887045867007 0.526908430231819 1.51453718822095 0.645583671526719 0.311810826629214 0.151926926837851 1.25831838773666 1.77034613951043 0.414749079237681 1.59887459275686 0.872032979130743 0.582650971713795 0.834823147021449 1.04831084671488 0.890678575006217 0.248747951389648 0.406777868346879 0.367627608784197 3.82033553733213 0.35577350899558 0.539451035987912 1.16216247825537 0.777909026699692 1.47552422305356 0.791904919054784 0.341107416592384 0.791686265017846 0.514894662146461 0.903792732244911 0.846468762728335 0.574846548088379 0.473145979028535 0.450678513986485 0.918568660164336 5.44671477394478 1.78309316136617 0.357077297253044 5.99841958896092 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0.898784029305743 1.27876813366576 1.92728176928745 24.1154157706512 0.512277932671846 0.540959240345026 2.21478030100016 2.77073005531947 44.8773538996948 1.3331590881008 0.931429585518391 1.25963031195829 0.842797408898812 0.887299098891119 0.746054693002105 1.05231069009757 0.982312922402733 1.77689152268129 1.00543329856904 9.37665802050975 9.70592252426424 0.385188070439144 2.01744249017455 0.765831187896533 0.353569679702346 0.517462575836085 0.972098219393393 1.40544712970812 0.267972217716367 5.02852621585628 2.44657188607413 1.55155684216789 0.84796272914816 1.61314812488908 1.13763966526609 3.70062296060617 1.04114713026747 3.20129443189868 0.488795506100193 1.23751167637982 3.2798888627295 1.9789441247406 1.73389091807745 0.333289772025199 0.671936059457626 0.810405084570805 4.0132178907818 1.35795750687616 2.77500143650617 0.139635518975357 0.434473707360556 0.39980738104839 1.66609799667137 0.805740126117614 0.457623576396958 0.539766304599311 5.17284601619972 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0.834615993423812 0.928661080983544 1.38070286383399 0.818883454886686 1.95257180308618 6.37600097708047 0.429561156693546 2.21761451308537 1.11432518086597 0.590155684928247 0.901071634792092 0.878222975038002 0.265258195233751 0.583628282809749 1.25100061870295 2.0325005404333 0.461135534937221 2.15969233433354 0.140530433132202 0.801582595123428 3.01600600009977 1.55424086753736 0.43998311898535 6.36323849421808 0.610649374330192 1.72302807787515 9.07546214931326 6.78427932574567 3.26003941579304 3.37020856424791 0.702438974042573 0.252791359489349 4.1632141818872 0.329103293575409 3.58107801104491 0.357062244727693 0.659734479529763 0.319827451259224 2.73122924635788 0.441769960624345 0.694983574841554 0.560824463250822 0.267329903994963 0.319767473197662 6.02658885956246 1.25871634333369 1.11200071560823 0.688023711403458 0.204149610285951 0.569212905489828 1.55284589021262 8.570012804112 0.78678028476391 0.323395629858524 2.86226961342821 2.40124222249109 0.533338341061864 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1.29499928611198 0.298569643646597 1.52190776108089 1.11734289159625 0.27536914317956 0.528594684200597 0.415368718860577 0.102379225342623 1.88883565151026 0.831457747863927 0.345999560772513 14.3682743577732 0.42499525508165 0.86496415364705 1.09685642708508 1.15812143665233 0.690053332308851 1.54506846730823 0.330414209869316 4.33944188292122 0.354012882094943 24.9449488552275 0.35535567965293 0.208933061386915 1.20499308761442 0.104117098277437 0.463662182456016 0.984012692871613 2.29282677292226 2.17565120062203 3.57179437043391 1.48824699493283 0.154457958303206 1.4980308732198 1.04483400240027 1.66430737667083 0.930529808121809 0.283345996005668 5.49793270644982 22.650273313031 0.152949676342095 0.191852616815303 1.28667930831419 0.241674316832103 0.154702457781695 1.10400711938444 0.220044255323053 0.386671911402197 0.363257531231884 2.63830270113437 16.7855788886398 23.1266295139082 0.41354483532123 2.01974012182542 1.19375379521793 8.55626051121263 2.14498486500062 1.82417494327601 1.06180114233551 2.26321389518518 0.136897918600711 0.248825926577908 1.16760209888811 3.26468937843577 0.407694164639206 0.46529535181491 0.285037767256451 0.5578856529151 0.346952902313169 10.4643863917462 0.92446904220311 2.52630955445933 1.24597519110123 0.448813541050855 1.22166343362361 0.361738125232587 1.53263580644403 0.677275482218454 0.241206304462632 3.30003721392156 1.23660244350393 4.45478325040955 16.6658449022375 0.315192511802089 0.615351287378059 0.638774268608824 0.48109549986783 0.536715346757486 0.733745572604132 0.801942463492799 0.419336674749752 0.994257587998883 0.518999685201187 1.10124021557698 1.71923523957681 3.02659252934825 2.91305371476934 0.265574599577631 0.554150040338974 4.63217851672992 4.50604717624318 3.3364917191857 1 1.15800193925243 7.08289426831065 1.10908151569034 5.15924473514755 83.4246299967144 7.32136749980361 3.59545462625239 1.16724383605003 0.260056044509914 2.0061291156791 0.570773940621719 1.20109680722902 3.50263691311381 5.42543299171833 3.93520041330963 0.157360644185024 11.7095534272072 5.32134146726064 10.0214941647539 0.58055713082385 1.11248019605831 4.56691172043572 5.9736056390846 2.70869423860833 0.891942813269257 0.987871701995045 3.17184184828762 0.313033530947476 3.2910274310754 33.1322590799962 2.53450154847758 12.5578395512311 3.84734000737398 0.270933518963331 0.399552630175616 0.171428423981821 0.513855333603598 1.03098996485607 pyroglutamylvaline 0.858361701077974 0.402788055946126 0.752910777276203 0.628808061372999 0.765895187350453 3.68169848787587 1.02475085719924 0.994178445447594 0.391653716174548 1.00582155455241 1.62798169663781 1.25922876735983 0.633149559683268 0.453652655467574 0.7549859394657 0.464666740669479 1.3939077184933 1.69539825846716 5.71744184612349 0.662087742667555 2.22921446014949 0.52593490219295 0.639211623375022 1.80869656380276 0.976393102937912 1.72865018870717 2.26664446582304 1.12792311107822 10.2842756358075 11.2968869483707 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0.976244198359212 3.66015992241388 1.62681966174826 0.461053548278558 0.496407683401122 0.894496729309543 0.909771496996507 0.351334501083633 1.6051321636038 4.29941414561252 0.451830300151412 0.552726894872785 0.564424190244337 0.964759671050678 0.811408326653406 1.86114657245495 1.53355302872864 0.811096596700611 1.51033162129264 0.471588041445239 6.05712575087334 0.455363239616424 0.605349879761304 0.783194291878198 0.944279507961484 0.238498154360756 0.874709299448782 1.78035903373611 2.09782382804382 3.72225356015399 1.2507743767875 3.5798770893329 0.422720660273729 1.25183821710259 1.18689447693693 3.5139783669309 0.562316301992103 0.455976803333036 0.688769804748192 1.50216231729161 0.259468178804343 0.909336064681491 0.604394897524963 0.852165780957753 0.433710378133381 5.02174687527833 0.820616730497086 0.280289760413265 2.16940791101347 2.39338340804956 2.61967461330642 1.22297103385486 8.11036229947847 1.14737404625479 1.88131995368584 2.07843224574217 1.85220536571366 4.70771111045137 9.70152104424586 0.3663866045186 0.664865560272739 1.37413532048808 2.11865035774723 0.597012340547655 0.801284525329296 0.683994893566488 1.9088016704767 2.36445189957347 0.604652198438381 0.555834298211759 0.562217340102327 1.50369622658314 0.744401231085909 1.82325901295411 0.255069322803788 0.755158388504587 0.656206394917317 0.51191501152906 1.59686884580748 2.04779859276193 1.61937772763709 1.33685142851488 0.456016388088947 0.906070322318875 0.505061900662055 0.547922295124148 0.511316292095914 0.79639085987986 2.36296747122683 2.56492394778771 2.69240170610298 0.404907520114004 0.720506882799434 1.4609892230502 3.04054963433582 1.57419172876525 0.446357707646785 0.484319488564954 1.79725182832091 1.4945620441568 2.24026462409326 2.14494453186078 1.07757127730111 4.49339924195192 0.559174261991707 5.22889390295797 7.96396797593247 1.20613266830943 0.812734415976408 0.501345881700957 1.62406852121248 2.37201258795238 0.314045661015943 0.695979178418391 2.83927104671991 2.90913319280745 1.27905768488555 0.46937624320874 3.929677681125 1.57584439232452 4.39359122801809 2.45698126651427 0.706860038199289 3.97950994072183 2.91268097655593 2.66052113331156 1.67784936021138 0.564295539787628 3.29130916683985 0.54303852586369 1.12521647913389 3.92376470821087 3.25164029332304 2.63590436322972 1.6770477689042 0.913066927926056 0.465422715712179 0.358029272926996 0.422473255549288 2.41924709794258 3-hydroxysebacate 4.05981296113997 6.30202779754189 5.3926914492344 0.241661712102457 0.468350081384809 4.84733769334984 0.965504049747074 0.239946295772863 0.172270197565278 15.3322668836928 0.333243988732834 0.149706624820905 77.8407976685933 0.342761625356972 63.9827434965253 12.764030351173 1.35173344769442 0.141117359818322 2.23415432898956 2.91718242867864 0.331345822084036 0.13922406651137 3.93183900427879 1.03449595025293 23.2960774471486 0.23076491973606 0.832868741410735 4.47563816411466 1.73225616234076 0.104157935262527 0.104979093363483 0.291282078772698 15.7432650415696 0.243123714656088 8.35487832329297 0.201790104058713 0.805671634472875 38.4459369407318 3.28662391990889 0.130609397600565 0.359810470058326 0.143397765490128 0.177064737490779 0.267439139359334 0.0588469964719438 27.1825629779201 1.74069121373602 33.1610202166757 1.76875519569234 11.9329513315459 0.207170222581788 0.388634443902124 0.186195783716561 16.6894708807214 0.233839028815059 0.130000958347541 6.44812331035528 3.58855911332794 5.94162771986833 0.104974715225914 3.25177350013038 0.0813146745295739 3.45766221146496 0.166110602221138 7.06728268355141 0.454345883228695 12.7301115026221 0.4229990037643 0.0411041946649015 0.117114526988627 0.35411387397507 9.85799518151771 0.822941948654859 0.71876957090546 0.479844613975382 0.239840958882433 0.707797605914119 0.398059680535961 0.133395291616242 4.3375567486611 0.136002888414916 0.136172270771069 0.994145165136654 0.75479452360098 0.246917129682252 0.224358074300908 0.162174691155789 56.5859225432315 1.8613872860712 0.0904680079074816 16.4844602831806 0.298694641500015 1.27263873195019 0.109568097278962 0.235200773809922 1.40019924714 3.82613346883922 10.6954549810671 85.2578222332172 4.99666584204204 1.37942985007433 2.48138911361767 0.453527944745693 0.974599332722665 7.41238140449175 0.761340260180214 2.20870357864802 3.10895742931073 0.687772599729434 0.340518711178567 50.5209733245076 0.882245831745374 0.360211638796583 0.49897813407505 0.334839944817011 0.372485173472049 0.107245776027493 20.0927034092657 0.198611956165629 4.18836209490315 0.495913650657805 0.689713810679558 0.378137195251054 0.172727657687173 6.1775840281353 0.881095814695702 0.25500067975814 0.123845246930502 0.11322319022753 1.20664647450684 0.158898479793354 10.5347267260842 1.37718776257051 0.120328334325112 0.566040174820421 7.54892141327289 0.132249731996996 1.35375059339543 3.55940528963269 4.91186768563526 0.15520326997096 1.38488797362984 1.77528978869551 2.59972720525799 5.93232506257118 3.84517561161517 0.262395556833352 1.23145207482243 0.215536819489669 8.14436279917716 59.3171818341881 0.5272427004005 0.611476991858503 0.261292342803144 5.20756693388962 1.09911542293214 17.570198957407 0.962865147128635 6.43018883903996 2.977360710871 0.374014072107852 7.82968604088801 0.747540055584157 0.23911885515357 3.77034872706931 1.85106610592192 0.385331487957137 0.355738607365012 2.14590729881945 10.6985016347626 24.0397647368222 18.560247743983 7.7679484007854 0.873758884216016 11.6133535700675 1.104136718306 4.65281743033594 0.170416480011768 0.701474740856139 1.40324812955076 1.15143451254655 0.795357140469234 6.28564105650016 0.140917205458569 0.338457149606966 19.3334759711069 0.144694877743827 0.19786756528464 19.7029367780356 20.7855998252687 0.962842859976509 0.239827586591158 11.3952381270769 0.726946727020275 2.75792141104418 1.04022162344074 20.4586629045954 9.76800857609614 3.08703578648017 0.517211253228851 0.459411752906802 1.67275105919691 285.87935741683 0.182012485262621 0.760812054674842 5.82147768276022 130.675996068546 1.88479771066373 1.73028757112387 0.405033330436004 0.782940968020165 3.6940040874637 0.452313294954857 0.849247474308485 0.397255114344234 1.55380452830357 0.429796585162551 53.2924876696331 78.7120700529766 0.262859129597561 2.85235207459956 7.1742075245883 0.324654716295697 0.414879794245012 0.133488897655169 0.518434817880536 97.0091733918148 10.3774284638135 0.708653432555735 1.10332992339906 1.15274276837631 1.89200983309152 1.97935318227102 12.6542660952241 0.127868077889139 1.70906797358527 10.3139858565733 1.19300227997566 0.409109650559742 1.00585483486335 0.145225311964412 16.2653218599074 0.554319361517666 2.94827820606255 0.749993871033166 4.09875659978292 0.560432727345667 0.324770609486749 0.914395048686284 6.5589818337423 25.5085326361912 8.96396167501321 130.232361390629 1.02083848723726 0.240086117555813 4.50433819416121 14.3392282850705 0.377820717690873 3.03227625370803 4.37739280437007 26.4777875098342 0.729355968165032 0.329388507407135 13.1481961893427 0.10425261149705 1.39443801831558 11.3189581202124 0.377243480450825 0.35264069321958 0.396274479650716 0.134908589245558 3.27512374941218 5-hydroxyhexanoate 1.23486761997726 0.946549867670293 2.13625431455224 0.771743833838165 1.43624525776619 1.41061958479668 0.820263049319232 3.66507502037777 0.7522314914514 0.862231189558532 1.07166936693066 0.748321978807121 0.507180018717358 6.15690881829068 0.527633260543608 8.58873134553651 2.40802330612943 2.40289615891641 0.757544805933201 1.26060901854629 0.937638996508106 0.685442725891339 0.970746581063267 1.89936904390529 7.73545631107041 0.797168244895495 0.644722409507613 2.44501021404204 2.35889527336399 0.579589023175309 1 3.14827468225776 0.669376993750818 5.22002722014291 1.27866621299762 6.11167744130657 4.83897243960531 0.704440285811501 0.831197686287853 0.423797209935352 0.305522286492004 0.429955767267778 4.87276284450493 1.73168424634229 4.92991833957128 1.31682204831575 10.9122592718612 0.72939775433821 0.352619938754679 2.69434501531133 0.331963252807077 0.364467505954406 0.433334467505954 1.61701258931609 2.6334875808098 4.03018033344675 0.566570261993876 0.404817965294318 0.806879891119428 1.24304865600544 0.369564477713508 1.51418849948962 1.26915277305206 3.7891493705342 0.890313031643416 0.376294658046955 0.532500850629466 6.94741408642395 0.4573358285131 1.00739707383464 2.81255188839741 0.636546444368833 0.949591697856414 1.30227628445049 0.449806056481797 0.697186117727118 0.967686287853011 1.65090166723375 0.374668254508336 5.35662810479755 1.0191493705342 14.01557332426 0.349428376998979 1.45766587274583 0.376515821708064 0.327386866281048 0.897094249744811 1.84398434841783 1.89584212317115 18.0283735964614 0.986679142565498 0.577492344334808 0.606298060564818 1.07899965974821 0.686631507315413 1.14364749914937 1.90978904389248 0.543542021095611 1.33737665872746 1.02789724396053 0.954845185437224 0.583433140523988 10.2013269819667 0.513919700578428 0.38803334467506 0.404943858455257 0.621435862538278 4.73046614494726 1.79002722014291 0.623222184416468 0.402232051718272 7.33751275944199 0.65860496767608 0.476012249064308 0.628094589996598 1.76837019394352 0.962340932289895 0.737560394692072 0.695753657706703 0.991520925484859 0.497369853691732 1.20773052058523 1.35539979584893 0.38187138482477 1.97593739367132 3.72823069071113 4.28537597822389 0.972323919700578 0.740874447090847 0.379768628785301 1.31248043552229 10.3577543382103 0.620023817625043 0.504528751275944 1.17085403198367 0.786607689690371 6.04700578428037 4.26628785301123 0.590976522626744 3.932960190541 1.20845865940796 1.60925144607009 2.41278666212998 0.733399115345356 0.610922082340932 1.93882272881933 4.61450833616877 2.65086764205512 4.99371554950664 1.13008506294658 1.31058863559034 8.3082885335148 0.688234093228989 1.3618135420211 0.786063286832256 0.799816264035386 1.26656005444029 0.571000340251786 2.25572303504593 0.705471248724056 0.793603266417149 6.07935692412385 0.814882613133719 1.7268730860837 1.62606328683226 0.624906430758762 0.561160258591358 2.08365770670296 0.681378019734604 0.843732562095951 2.94657026199388 6.44316774413066 1.02492684586594 0.634185096971759 0.849166383123512 0.588434841782919 48.6735658387207 0.478227288193263 5.56846546444369 25.9879244641034 0.55931269139163 0.241616195985029 1.12530452534876 0.67872065328343 0.685651582170806 3.37738346376319 0.546927526369514 1.67453895882953 13.7532902347737 0.562677781558353 0.70564477713508 3.53808097992514 0.406835658387207 0.519976182374958 0.696349098332766 8.12044913235795 1.08392310309629 2.21107519564478 1.43507995916979 1.00582511058183 0.766971759101735 0.816675740047635 6.79006805035727 0.668669615515482 2.91562776454576 1.05994896223205 0.765096971759102 0.669108540319837 3.55643756379721 0.658230690711126 1.51872065328343 0.628407621640014 1.18306566859476 1.12369513439946 0.484760122490643 0.483565838720653 0.595318135420211 1.27968356583872 9.21004423273222 1.7287138482477 13.3493194964274 0.71979925144607 0.729125552909153 0.857846206192583 5.09228308948622 2.16481456277646 0.51912215039129 2.17734943858455 1.24726777815584 10.4814528751276 1.33938074174889 1 0.497767948281729 2.22952705001701 0.7114800952705 0.968278325961211 propionylglycine 1.87063275490359 1.24042877172881 1.17475010930362 1.10099654751315 0.566045018016252 0.411168568800977 0.375805454627689 0.243145532120189 0.792841743430475 0.915931191484871 1.14481448536839 1.24349831898566 0.771632317689095 1.37369777925191 0.881798308432209 0.851971234301738 2.45483574303849 1.08406880851513 6.14964108227499 1.53650147248297 0.616481455917541 1.62084713786122 0.869110068102338 2.41925501564513 1.08409258236702 0.414452190318425 0.407952558439168 0.504952374378796 2.08070472114854 1.52543484262838 1.27813822933922 0.963067136020615 0.486787916436591 0.548361862690963 0.648962359653967 1.02341593042518 1.01612829007915 3.0759536628014 0.300800662617339 0.568389931897662 1.33815916620652 1.0227199521443 1.13355305540217 0.671475243879993 0.766369869317136 0.887636894901528 1.45517554757961 0.471671958402356 0.315657785753727 0.767054343824775 0.790061890300018 0.304694689858274 0.627714890484079 1.42897570403092 1.22740658936131 2.86210427020063 1.82321001288423 0.636595803423523 2.78367154426652 1.29940870605559 1.41284741395178 1 0.60260215350635 0.974444367752623 1.5070633167679 1.11317987299834 0.753002484815019 0.721551168783361 2.61225381925272 3.52940939628198 1.44626012332045 0.60840580710473 1.81229868396834 2.57533245904657 0.333212543714338 0.933542702006258 0.453565019326339 0.851630084667771 0.779202328363703 4.71912962451684 0.530433232100129 2.26214798453893 0.978758282716731 0.678774387999264 1.15110781336278 0.647144763482422 1.04089016197313 0.612547165470274 5.73562603533959 0.289118580894533 1.1682369317136 0.796958402355973 2.0421038100497 1.06131511135652 1.03323440088349 0.482065617522547 0.695546889379717 1.59808692251058 2.0838740106755 0.714763942573164 0.541154748757593 1.30005291735689 0.832418783360943 1.03459759801215 1.6801318332413 1.72847068838579 0.77137976256212 amphotericin B 1 3-hydroxy-2-ethylpropionate 1.16721253966596 1.21589440521471 1.15278680435952 0.626354418041866 1.22670657653672 1.03028997995356 1.09134766043479 0.979262292481213 0.310614630299534 0.355297903341442 1.16700505207333 1.04967117494662 0.685375012433213 0.178397974749972 0.274163837479461 0.395725898194894 1.18018657483974 0.977598826661229 1.49252955539544 0.349426931390413 0.48266319950859 0.792015078857763 0.588953888199838 0.886486817942472 1.29735004119449 0.193017650349182 1.02073770751879 1.25661331050732 1.60725735983803 2.79035303906934 1.31654727811573 0.389660272935311 1.21489261804065 0.767025301721541 2.28972041581654 0.594834129356036 0.583070590953589 1.18123677912154 1.61181442161397 1.83558228539127 1.8478911745202 0.54219176794903 0.865288603269744 0.772977989704729 1.05594535668943 1.15502244431064 0.425736142872436 0.786468311307215 1.4138825823721 2.08651098625634 0.962996798652227 1.51563690545101 0.961600780452645 0.432932757165008 0.722100828165273 2.80010152859633 0.465828313012275 0.605937775952158 0.6728865849045 2.91903239760071 0.589577915205215 2.16039290016726 0.699349897284643 1.50057715325635 0.930934881709013 0.550056843419751 1.75041354980496 1.0941387095696 1.68279579528231 1.05992706022884 1.2739881895504 1.25757988958765 0.780360126193845 0.643695660282217 0.630917879544264 1.07323815673283 0.858423313213298 1.07841194937327 0.937291075607319 1.21011381762538 1.12112855622558 0.722280053263762 0.499351156704254 1.33508796319395 0.492506695510605 0.691963401266104 0.707549687736595 0.833469366797727 0.594977434591316 0.737375650478119 0.433142014577298 1.75374519906822 0.820414029353196 0.387114102932365 2.28641527036591 0.570566007392793 1.38492125963274 0.626571428709826 0.549511902241912 0.76039348143785 1.83339331722891 1.37708234133856 4.51118824787122 1.18906455639608 1.52185989150584 1.36503889911225 1.74910326901736 0.871250017559216 1.02097466483696 2.72200540291013 1.42965293786266 1.03047262627256 1.08757277386685 0.404557548936929 0.416750183947922 2.56121433238893 0.841697251994848 1.24444462743704 1.45993326044846 0.426625486874668 0.600487879781617 0.733697660821829 3.7529910004781 0.647768913939498 1.33397240805389 0.856960448895901 0.937450925019485 0.94154355436309 0.590692501560954 1.1309602638581 0.573010734614615 0.863919711031014 0.578242169921863 0.752028513259993 0.589026676929322 0.25405351467684 0.974807248250497 1.19649319453238 1.59272646423273 0.813819998905274 0.746993741168926 0.595895357730875 1.47989845202798 1.05201063918936 1.08582993088208 0.411457715228757 1.8711323102648 1.26737381463184 1.60587625814808 2.17586390130413 1.13065800315146 0.370558063361401 1.09670840996821 0.505863809269619 0.605264955244587 0.952447221841436 2.4976867852491 0.619475083593977 1.30107443024583 0.683942835912641 0.730201802616977 1.32261486512343 1.1642447866083 0.712652759121952 1.31605425773441 0.441703161579177 0.983327221918939 1.04642075368513 1.74584524736212 0.943147861190646 1.04862764435734 0.621860230580355 1.70667439110695 0.745137066027011 1.44694961304333 0.660352937814219 1.2441723990442 3.73926913942405 1.51685176098347 0.804805460843433 0.557092155123682 2.36815402508086 0.583849977935937 1.05455951072517 1.04385686599243 0.405182899213008 1.02967870752547 0.609089715724774 0.891385230786222 0.469332890275973 1.44751102355454 1.89821855096024 0.594319630040645 1.38973272693894 1 0.426081030088988 0.618369216297084 1.18702042148899 2.12909777601029 1.274875595984 0.617091389784073 1.04320874928492 0.831735242871806 2.87781595326197 1.17197907619634 0.64329894310475 0.692664316718844 2.51362086528909 1.80454388907807 0.754873348404388 0.986394393063892 1.38624897853804 5.10534124700948 0.278386470345754 1.06524713930101 1.11350034852016 1.17824662632972 1.04561714709488 0.950477683326689 0.961929198335822 0.891917093375792 1.23645893831896 1.3339457664852 1.20275299439122 0.89158237839456 0.595294711454857 0.711176816216287 0.948151632183596 2.51082156300755 2.47993042191041 0.578889317845056 2.15474440321191 1.41327079507644 0.948997865283759 0.803247171270895 0.307992519047511 0.696950218533522 0.355577267088508 2.01515614623412 0.473239028638718 2.23951545283643 0.422397227726801 0.707642206638788 1.33947413418535 1.34331681717538 2.06616215608762 1.28506430063702 0.626178102277467 1.46305274594649 3.56888807295721 0.799878708203617 0.82135326574771 1.39714005182027 1.43977818714297 2.19118861600926 0.595276788945009 0.943813416015846 0.975733406056743 0.445080828097458 1.06179439199823 1.03328355396589 0.553895166880364 0.472419437107249 0.249966698039132 1.1893924898871 1.09172546783806 0.480872564657876 1.64785174499853 1.95959345934957 0.645228761462535 0.440952838126313 1.11200599871249 0.958134954561594 2.9228062969043 0.472343871930589 1.99288960751157 1.44797894637924 1.62548348392278 0.456025184517083 1.11030868859058 1.03032779301729 1.23267099164278 0.598943153189504 1.27269195613538 0.895457031267029 1.04829777329769 1.02296212586155 0.404457764152365 1.74893906007577 3-carboxy-4-methyl-5-propyl-2-furanpropanoate (CMPF) 0.635447247479823 0.437450079810387 0.182933902721188 0.250351080095903 1.18191927949421 0.547156990183325 3.28215683969928 0.152683970519771 0.371117033679946 1.47932335694973 2.02935564237387 1.70081940314957 0.169342635598647 1.56850962696808 0.228806502116979 0.13481874101975 2.06703211049653 0.419783952284011 1.77704778506592 3.73958172541081 4.20445382177531 5.20265237425335 0.78546277775681 18.3037884776813 2.94457852809586 1.34799961471776 7.78333548784856 0.817898632113447 23.5717875410729 4.74956821307379 0.464701960551427 0.200776411552502 0.33078321644662 0.692203370228936 0.818080720505786 1.66409634166545 0.995325440212517 5.64971533298562 3.82543839147218 1.13121609010079 0.714091032910554 1.68822704437736 0.686786158199079 0.271711974476233 1.53897243578336 0.0422829072569398 0.425749777612726 0.460467435884458 0.105501050491802 0.395755031013653 0.200452096405873 0.0437902301813472 1.12926694397624 1.11879078591405 0.263385151902157 0.297696151981153 0.604172001595989 19.1314424020413 1.28616265749999 5.01122077709392 0.719378091773385 1.3943495610214 0.295782924399881 12.3942175666543 28.8778064972626 5.37092891255606 0.200061262466466 3.66847837622062 7.07889734091005 1.18417810774835 0.909916921414121 0.301965686236956 0.49286972959742 3.06189254804513 3.3964388648183 0.693492878646439 14.9112584664465 7.23399486666246 0.078354920670883 0.24868994648765 0.177381088585552 0.572052032656738 0.720135144147017 1.1448641318306 3.53455596203234 0.217050482256679 3.80059180195671 2.20270768045206 0.2291675902714 12.5695578289175 0.433288652842381 0.102159621252776 2.81487118115869 0.152659837203598 0.418538439309153 0.419213607451264 5.58727132227084 0.293012172995259 1.76478980556388 1.44943579629464 0.268975885721764 0.765702714273891 1.07437939099482 1.00467455978748 6.11091068452329 0.832214311630537 2.41945674835958 1.91646853906098 2.91324227522119 0.767122124679794 35.1056207371063 0.325698800910924 47.0346351460937 0.0252311439892767 0.640569793685646 0.121307470140199 2.2265945164441 22.0883206837685 0.5032858559684 0.221434051607914 0.0945499136510684 0.619869158542817 0.36579067702812 2.65602280500966 4.23414243410423 0.667978907526203 0.59059428988098 0.242556164482313 0.880434830387238 0.0352963738221135 0.865381444254484 0.0618615274850326 0.0944886260667399 2.16936246218349 0.304964256653816 0.0992391673880726 21.3241956224338 1.34723824706959 2.5595295223424 0.227273954622823 10.8526901419046 1.66062603006784 0.461137078096835 0.110059691344171 5.65079615460597 3.65227660141758 0.690586490784696 2.12815334354542 0.837491574527021 0.809823746703438 0.60551003012762 0.806226617624878 0.914607179865622 0.272289182954868 0.0526078557872999 0.585359476172003 4.24210102881509 0.146091013820978 0.112923378839783 0.738377494093849 8.35786975911091 1.11845671834374 0.689390880533041 11.0124199038463 0.660484239734424 0.551594287243605 2.53176398603397 3.80993413970882 47.6738646506401 1.58300128565779 5.92201833076482 4.83121085302647 0.285104065187886 7.32304221019105 0.117410433784228 1.68944450716933 1.94919083434129 27.8999005458237 2.62074074836913 78.0367245754799 0.292133298988843 0.905419065788831 0.467904081414025 0.461214692291742 1.01421306804517 1.16226000981355 5.94279004945833 0.329216055186958 2.63377440718391 3.41986277860576 4.1692064802578 1.41081959459519 2.62329423026373 0.486213747232169 0.532416045742642 5.05479851015911 1.55910515605665 33.8757434416319 0.872277051027314 8.42639806964204 8.79729671517386 0.772252699259689 0.779165386178972 5.80664872330301 35.0320434850482 2.56580295966285 2.75568395248655 0.994906725445814 1.10060620705081 0.204473717359495 0.275455289514134 0.828999727596782 0.256904241038041 2.39439339169134 0.0648693915109914 2.22252718098086 0.0203645581435187 0.451223057795825 11.6803576180781 0.758375833803142 0.211281662792446 0.536123693415892 9.30023720053386 5.51012080310346 0.092554048302403 0.334757809174827 0.219398500036609 11.5332242129663 1.12066382491544 0.198729011043194 9.67523256942797 16.2658404229547 0.790465912486102 2.18011366083928 1.35381812231168 0.63694252317217 0.295523205702358 0.458599671634185 1.68052465186329 0.214770533883934 6.41402325235879 0.256045712500193 0.611407201868869 0.164249972464543 1.68689328588234 0.84553155111215 0.593318573240108 0.619718200189615 0.421986117106257 1.19359203140838 3.02871461474034 0.332523575311703 0.187539254509378 6.32604316680484 1.80769337520146 1.47887493577677 75.4145825015658 41.440501623807 0.094316317530472 0.341233194109208 4.17518628976644 2.91052577839942 13.3928447498832 2.20134679466562 1.70407716910639 2.42137776247821 0.854263524807217 3.13806648472124 0.465095402037134 0.233823437251372 18.0955139372111 2.49908464229841 2.73242029066139 1.90585197214781 0.210674564057519 4.55381545981827 0.967263513127411 1.35663308115418 15.1927978045984 0.816292600993587 3.24841804562685 8.16344770793854 4.79517174401231 0.733140922134501 0.809469333664554 3.70246510469565 0.61723605302431 1.70851147653973 8.16628125399924 20.2155891250205 docosapentaenoate (n3 DPA; 22:5n3) 1.6971369212037 5.3221943645923 0.417610068526539 0.597577379055075 1.42975013686565 4.61269568444436 0.49114269804307 1.0539305112378 0.649718046176616 0.15665642223143 4.33167751995607 0.954218696754339 1.1386121812285 0.740488492963095 2.08510164592467 0.24431948883122 2.01822448923813 0.981020008075587 1.77354769417077 0.666652361738085 0.50987464925445 1.00282301988372 0.584206002996305 0.896739264639349 4.65504006244025 2.57275284730708 7.35702344027684 0.997176980116282 1.22962738646777 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0.278831555896909 0.607067481902796 1.08693383001755 2.26996371908355 0.962793781016121 3.13881625517453 1.21507343067923 0.531345568394756 1.21465924298284 0.384806284880795 0.358030020709385 0.858658110097499 0.747935831749225 0.681134111508716 1.22286788495722 2.31627567328068 0.522437599155677 0.882617431539799 1.3809050520217 0.142278212869608 1.51507557458576 1.39989942445513 0.580042261287292 0.636804744277086 1.44735697698648 0.654023585980807 1.10974424323485 0.921655374171869 1.04214446319213 1.28691284230101 0.723832943794293 1.23199498401097 0.924332549240267 0.982834906409077 1.81639185796958 0.999490051145335 2.45050314101113 1.67260565133761 2.31881575116843 0.494691461760606 4.88743584265682 0.603702150451086 0.650801783429333 1.16721286133288 0.19259893376382 1.47138385029063 2.4122313628701 0.813697494036555 6.51384674002087 0.642087217126579 0.701012412842677 0.438222957252008 0.227928557511985 0.537181658089787 1.27504218230126 1.00095964265216 0.335769651160079 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3.78649857937983 0.787010822590606 3.49841238079692 0.521465845312254 1.48314295192609 1.82006704033328 1.34819118230051 1.25364934264817 1.60905612446393 2.81360165765348 0.565088513249718 1.48933256052399 4.06693656067744 3.23287597914468 0.489185571283388 3.28603308837634 0.403795955764814 6.86000576221895 1.45636153485654 0.74658543392292 0.953085833742682 0.941803582054073 0.888515544074581 0.672276843778421 2.36056671348156 0.353449846503815 0.660477760166819 0.690402670780961 1.80926054783206 1.2803670067078 1.08799273178074 1.24114194240941 1.06087336733995 docosadienoate (22:2n6) 0.957155678233935 1.65708414277873 0.888761010474393 0.498633272311307 1.52840259298931 2.84698673582231 0.487289839501616 2.83977848863416 0.863096594137392 0.317978191617121 4.28058135283086 0.618670439055776 0.584637101645142 0.416516300391605 2.68770698313463 0.294357924518861 2.04976332303082 1.75216627831015 1.7842481554196 0.762826482944313 1.0308425153086 1.04433515929093 0.630540701025754 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1.59207921967637 1.21207216595828 0.714805009489059 0.612945974294136 0.764026685397427 1.3197314945814 0.664758690793225 0.705792225097259 1.02154325313484 0.882595260948442 0.719534292700157 3.65809435737633 2.29590347361885 0.644453211371112 1.76156031266267 0.599981056962147 0.707212952936265 0.43939482660779 0.941314630636397 0.701534359081743 1.47497076916559 2.3290014401566 1.74954146784797 2.26158095571674 1.83636723264614 0.244439395366296 2.15610925113746 1.03163325415215 0.571346037761408 1.45796170214259 1.15869192656901 1.49020507322618 1.24292449202571 1.62383957027908 0.861707998198522 3.06854303483117 1.04390035530339 0.924111276045665 1.06234688048373 0.848708271010649 1.43383955139001 0.534040935850833 2.4814955933151 0.776519376002301 2.16976577824179 0.566135083288652 1.57703272693125 0.525052707248842 0.648144135470245 2.04757346970881 0.360840315317929 1.16531956122312 1.51011577110442 0.593854792170319 2.09051749842883 0.579846658537171 1.14160703342583 1.00464563161944 0.315275293340497 0.824761248912867 1.51412807922184 0.635185154702825 0.435899539295605 1.16226411937676 0.843956860604337 0.940851848443824 0.812588862950899 1.42701951807509 1.28913120266433 0.848316727592909 1.26068885196825 0.758264170107401 0.908616842519402 1.16222607139475 0.342622078029665 1.15553583296882 2.36233956771556 0.688127977220862 1.33264730033377 0.452191631224926 0.740252093516003 1.53338953281126 1.02810450620331 4.94020530259344 0.459138221302714 2.4925842863993 0.296656068099951 1.14422856637093 0.608638187167468 1.67931892493133 0.445095547657526 0.929483327293329 1.68784787931072 1.02523606614089 0.677573305104069 0.387762905484225 0.706017544707053 0.77716835044728 1.51162581725581 1.90728111549128 1.19429539319891 1.47522226362826 0.794651802948152 0.964058688877334 0.492612889846775 1.00441896279042 1.17943833083233 1.43499124491648 1.66345696408945 0.995108810482462 1.10338527197696 3.54203775816973 0.561392577729194 0.851159262646299 1.26238724912281 1.02930099380789 1.28767944278326 0.879337706062879 1.19049113468527 3.26761034656854 0.661602867036875 0.625603539487734 1.4721349802083 0.670898447777256 1.02796742553052 1.98963691701249 3.48060079112818 1.66436849659471 0.957272925730609 1.65603302025151 0.635990368733518 0.547543921807889 3.4009194119455 0.520482092218054 0.362200058448177 2.06931532791289 0.929472533539566 2.3958857448783 1.15759366212367 0.998382555998669 0.486201669955613 0.618916809031781 0.723904953442492 0.886493964807506 1.53949636884631 0.306488098402336 0.641037258149082 0.520201994307914 1.51733463362087 5.26284895194 2.28666213149113 0.583181118918293 1.01599364463779 0.341108793752144 0.97392471950407 0.754290179815842 0.516010509878039 0.169237693838952 5.76131448492072 0.883612302396726 1.10020651149386 0.412154360393184 0.616624755420286 0.624763785445001 1.05814487214394 0.759004081927829 2.00352335107197 1.17989355739727 1.00161744400133 2.00150303021145 2.03990855531812 1.09252513662868 0.30594949008958 1.12092377262202 0.484050744674564 3.10191948021599 2.06365940094127 1.7936925080825 0.682198698435203 1.69299434110475 1.19708989604806 2.42322740253443 0.820043299143219 1.19158697053602 2.53828342076724 2.38762231684147 1.42810051251441 0.673423106782336 1.66979100864121 4.36150790898815 1.56410639726896 0.250868694795009 1.56858337648586 1.12341362177122 3.77581319466238 1.93257762665323 1.52608809807852 1.66664624848247 1.43623657425684 0.839748645856129 0.521311862038557 2.08414837417735 0.216420699505403 0.932749517181902 2.02858725684034 1.70225969933459 0.966976240519374 0.801025244701144 0.520526076764637 0.761208436290003 adrenate (22:4n6) 2.03001317577201 3.81465656383961 0.345499374912202 0.560961873412389 1.33219421891234 2.59260866314419 0.304932386282441 1.17538905445906 0.887323383731087 0.275518613441715 2.60640548676167 0.584124401348563 1.26851993892195 0.41619499420016 1.70484835443129 0.262282453767311 1.11269060181985 2.25033561794105 1.86821958686711 0.721907113756834 0.565571629546437 0.797317246741501 0.496158503625645 0.233937044359994 2.35668293271386 1.70266830199295 3.19114852646627 1.48251416626232 0.609825327948468 0.354189242652922 0.576064391452268 0.151689007184791 1.02091434003879 0.979085659961214 2.3350739722744 1.83029997412038 1.22129785149433 1.88075296386041 1.15771156633004 1.47437513101156 0.624060510728607 0.473214636406695 1.21443579300514 0.692040036244351 2.35764527435685 0.381571384379601 0.302816263512272 2.27766607230328 0.45220677526873 0.944185495881041 1.11688724331731 1.82951043367925 0.932890722016745 0.402052878956525 0.30138544694702 0.783488717281915 0.599252995900542 0.202268757375031 0.417533209918756 0.600016508814295 0.374360172367029 0.64213949888837 0.343998764603562 0.491267538270186 0.306939794072289 0.318701119666885 2.51556294414956 1.44367179726781 0.916200922933557 0.750604284807458 0.278897223053532 1.08749290451754 0.411209168948066 0.281808678837704 1.73985167541262 2.41071815020711 0.82806036341311 0.673158573579203 0.513088774470343 0.978928868238828 1.42931914075571 2.41344103820695 0.326813345638588 0.176711335581837 0.407310817825136 0.996451730527572 0.217770889450878 0.557438223019666 1.41363823559875 1.43612894766281 1.03158252684188 3.12372499277493 1.05512650520744 0.492716976619984 1.24804430286447 0.444948761952475 0.210619235553035 0.356104938791498 0.852614499537566 1.1596715140903 2.04100007474385 2.81504120835042 0.752052044629486 1.1194889613596 2.02194076712471 0.167605243444288 1.9557590830815 1.60207270533159 0.485091602690897 0.840677086506286 1.06877230405484 0.780936505935126 0.609192565938742 0.924933552516148 1.53449588824876 1.66091740626385 0.590863082193654 1.20052814382574 1.04692640337017 0.569303380367327 1.50481262545144 1.02929919589633 2.50278522062223 0.890549167879732 2.24934267371503 0.542557797882152 2.77961396428468 0.531538894993574 0.524986376772414 1.27162755877982 0.152953137578159 1.98368615164235 2.26594619647089 0.486179663885675 3.74082534000308 0.398321709199408 1.00353395261793 0.542620318104709 0.155853554573825 0.488418582961186 1.84191228547058 1.10721633645911 0.34902749556844 0.701189908335599 1.12779915487114 1.63253162568475 0.53132732150511 1.99094769974061 0.469132338387644 0.491033768720398 2.03656872193835 1.03740539891545 1.95198322499095 2.34349526551495 0.22604312848745 1.03109778776952 1.01925737389591 1.22351666773138 1.3932425631593 0.356622122818272 1.03030945239216 2.75801674242587 0.373947649483512 2.43094290902488 0.339011167442723 2.23023346445268 0.242884449259735 1.34398869343695 0.42665695621896 1.26075026439281 0.299465369158119 0.949534963881538 0.962630166125868 1.15700950728002 1.54429467917558 0.209208205868074 0.146162663361481 0.584492318908823 2.38823545558156 2.06526145587797 2.63164423742163 0.93712710888501 0.642212228509241 0.6205405787544 0.366974215739989 0.985092560439095 0.695050525166907 1.02422459175489 1.50110817390693 0.787393269083898 1.56629719637481 2.87449452370442 0.471544738244949 0.514834996277124 1.43106251893898 0.6562173112888 1.08793552241659 1.08223701937702 1.83610876583481 5.01737894334307 0.400532113050228 0.333652536655344 2.46942829245444 1.69957348609384 0.7070186058879 1.87024595269929 2.69539333977954 2.26365727701524 1.24657168108407 2.59434156440565 0.658759214500347 0.467281178974208 1.83160533507216 1.10732609242784 0.310603171054914 3.08895407281434 0.48141924064786 2.49582399076296 0.996466047382074 2.13624629650127 0.34051980845431 0.195293368640342 1.4565499362505 1.68605578853631 1.14156377373722 0.370811705420746 0.325545069803552 0.285511116148889 2.44950369389657 4.01608302116831 1.61005801485655 0.190903623576127 1.64356618825005 0.380589544371536 0.618318622683052 0.944121613088883 1.31784242435492 0.234913851536983 2.87780602202446 0.331705207474425 1.36511029951551 0.307634408357963 0.251556098915839 0.655406582376268 0.958409359944778 0.714304107564799 1.47059741666677 1.1345627923909 1.69171327625615 1.6291804548672 0.736858248231153 0.430638858530026 0.24068958660132 1.50080266210555 0.578884318137095 1.99287936924481 2.09385969857788 1.76485646662203 0.658444460922541 2.93837455122832 0.59103999902053 2.1491419711623 0.886346193587767 1.96581194387043 1.48776822256646 1.97689688201618 1.45296855041256 0.95694832987968 1.97766075038288 2.08667569846256 1.62545927728716 0.283978403074352 2.4798065111672 0.325434168486471 3.78985884865041 1.94362508482736 0.701761437167324 1.11171117710907 0.784526402896231 1.24619486147357 0.534321854540166 3.14762562867036 0.1546031303753 1.19157134192272 1.01502292227143 2.37397027998732 1.08630310479256 1.3345150629601 0.424820844313291 0.612951224056502 docosatrienoate (22:3n3) 0.776311663540235 0.517032097418513 1.29815911591549 7.44474796503591 0.941010162296156 3.4211990655957 0.622171135516455 8.24270066220988 1.41745291333382 0.443833228500444 2.48602893016645 0.589079660007459 2.68402300386119 1.22226938156017 0.714698684300857 0.976159795009955 2.0704481652389 7.32414839512907 0.703930583928469 1 0.460239575621622 0.34490530714181 0.969940328748518 3.6297307000796 2.80808345069051 0.946126302083333 1.56045006061422 0.787256233536877 0.29256091355364 1.03535782971145 2.48363603029215 0.433033442588602 0.53542190493295 2.6698998929897 0.44931790289751 0.699663067229406 0.260268405022749 3.45297767376078 0.442683545108956 0.688934443097462 0.536647285081418 0.598257715217912 0.330494847790948 1.88945106710967 0.932596140894397 0.806555035470546 0.444450992277299 0.967613950999761 1.20295709485752 0.809881334560584 1.24008471024904 0.224855854136734 0.599614987428161 0.819329389667146 1.04603407118056 1.88140284512692 1.99796502708932 1.47664949263649 0.743816974976054 1.29557431977371 2.41791964125359 2.29658642765206 1.3439150989284 0.984128988565613 2.75340487308429 0.492257655352011 0.913845486111111 1.04276950880029 1.096865833034 0.580534602490421 0.991800710159243 1.34736533914033 1.20686802188099 0.800141900892002 1.05836504355244 1.64719387946001 1.20748398587165 1.42628777164152 1.1252301095546 0.742949854825192 1.13029251975575 0.551169910650144 1.53194781190134 1.37825848224976 2.33950419809627 1.09534954202586 1.29879398272869 0.911741293253113 0.648465094438458 0.68149844348659 0.835922533524904 0.499925167624521 2.22830936826509 0.712509447587404 0.593033012302443 2.27451134458812 0.905104129250479 1.54045157596983 1.10884181932471 0.832317483836207 0.818790128861351 0.249862963212404 1.38142763335129 0.712693254609674 2.95563375538793 0.313251597671217 1.12701392630508 0.282447318007663 0.629501635087404 0.527379763080699 0.858427902747845 0.770083606471504 0.302067431453544 0.244991375568726 1.75548755163434 2.88562947123444 1.51637192064775 0.76121176065613 0.380501115002395 0.792400491648707 0.825327672264128 1.83115337269516 0.512328633860153 1.04882204486949 1.05300330384938 3.05619817857998 0.96769158958932 1.86544297024665 0.991998080549569 1.30837112368295 1.41141951403855 1.92968141986949 0.72767984090637 1.4452404738386 0.84531680286159 1.25187548641044 4.48485673341715 1.80458320237668 1.63508132408405 2.16058279454023 0.580053804477969 2.6602572737069 0.623186718001676 1.59195028136973 0.842569986979167 2.3424502551784 2.01309893962524 0.767040267301245 0.517205366229646 0.506229795258621 1.17614605783046 2.21268670677682 0.604913119612069 1.59139558638649 0.313480771821121 1.07098973299808 0.628812709530651 2.03177897135417 1.97592174778496 0.703357915768678 0.579118399784483 2.71697413418942 0.775433185913554 0.545473763769157 2.84635229585728 1.4026379347761 0.605387369791667 0.468398755537596 1.00800191945043 1.64620702750838 0.5295840442409 1.3207357706238 0.903357728687739 2.47256972506585 0.631526318546456 1.07396852924449 5.00891019740781 1.52205029483956 0.168977116259579 2.86252637841236 0.694284490241858 1.01702951014727 1.37583671949832 0.952287812799329 0.472741839529454 1.53683530142481 0.472157679298372 1.43455113670378 1.36431814610273 1.50740606666068 0.467247272359914 10-undecenoate (11:1n1) 0.795172126218141 0.616080120676078 1.44844021517023 0.636321273478176 0.393979818653624 3.79175485345764 3.0192219516166 3.65951204601108 0.50003654837177 0.529413963471564 3.41123978722203 0.540209854105545 1.80004385804612 0.471530479680767 6.03476580800144 0.761163035641308 2.33430380335647 1.37342385146742 1.08269816693303 0.517544049094431 0.340800276438594 4.42436563655635 1.77047539463935 0.435732180176828 1.52660472271415 0.453248817992431 1.42885111854631 0.380790009668706 0.917301833066973 0.654962604370521 2.93480601121038 0.368085297254553 0.58789301959325 1.76352455884454 1.57171538121613 1.29939346315758 0.810554694312734 0.782696558735326 2.35456259594308 0.658628017806898 2.6918126619564 0.249903863267919 0.328082219369391 0.619189408124785 0.378489883868205 0.437241218335556 1.12957854414045 2.24512680581275 1.99728785971232 1.23035531516495 1.88160980914836 2.17232935256688 0.315870358454886 0.307655444575151 0.612557436748571 2.23259615308479 0.258657900236064 0.212475087934556 0.317482907973479 1.52079737888407 0.991959629802146 0.591951642793429 0.115418472780653 0.906493128246228 0.486837788328433 0.725274097270061 2.83479664283991 0.752814129569249 0.29173169021285 0.730835396357029 0.983835602573332 1.52913760617644 0.67377923563638 0.286080881545431 0.519747706919469 4.7196666663224 0.319653859567042 0.361787396155977 1.00804037019785 0.704679319878666 0.767444814761645 0.555055105196134 0.19074216180096 2.17919749152844 0.433145810762288 0.250006455017821 0.262082674491181 1.12854367568338 0.683153642850577 0.643662015955427 1.54325739822503 1.56513422822258 2.61876251627956 0.622484737755864 5.49523963952426 1.01634823633421 2.6395493950013 0.297120855491258 1.30053495745024 1.52014258187631 1.60844860273824 2.71032530879945 1.10648369531352 3.54320231540629 1.08449119139662 0.362666655650103 3.00182427410312 0.373050455517698 0.637170505766999 5.5290845889634 1.45519098762461 1.96912126034998 0.740859092297115 0.94805311498504 4.68801745574526 1.32053759454019 0.280242791294298 0.690185653197885 0.518628148628593 1.12632865783483 0.732025873777032 0.620599528284511 5.17293078809399 1.41591005251114 1.06383100315797 1.34888940988055 1.93181848696448 0.31184518147551 0.557526946687061 5.65374733579898 0.202460342952515 1.02935673251473 1.05800324093535 2.09242001888652 1.14362672852467 1.88987429756496 1.11079805709128 1.76364513307148 0.56830596577911 1.35725373590611 3.05883499149831 1.63180853763034 0.735851375538478 1.59669392921927 1.09637737514532 0.724907796525445 0.750313369598484 1.14281632255397 4.01669766796559 3.47347297516419 1.69422701075527 1.26213190476043 0.912051673192259 0.536124517465901 0.283827994258993 4.18681544536008 13.3327549637366 1.07024057765352 1.06531410805252 0.333890014070218 0.826844749419651 1.34280826669173 0.707736416318698 3.65939057057882 0.477416560718308 3.03498413098419 1.05996832049387 1.12724854090777 0.665832850498 2.55380334814028 0.945172972100208 0.928507665290629 1.88013565521185 1.47894132199454 0.660736312694145 1.17746272700576 2.43663117611802 0.59556714130843 3.80648441827552 2.37925346944298 2.3145435510585 2.03643246484942 2.14585173013412 1.50600419937639 0.41749540488798 0.938488672046192 1.43677335864389 1.10384729390161 1.89620606757905 1.22951530217918 0.6444758646023 0.556779197422675 0.911745963548256 0.583643088121838 0.911094609216664 0.475414300257134 0.744382327090729 0.734077020239838 0.757849387737256 0.906630146757843 0.658437293547013 0.569594215202376 3.00080730756215 1.32695680852902 1.76993145976011 1.1100083071776 9.06508551435475 0.61971131783234 1.60088779733103 0.608520554670214 2.82643920216668 0.761260391287688 1.88370295626046 0.882557577898295 0.486543783783412 1.23500361653132 1.067270236653 6.79827466841004 1.34581441152443 0.937966762338637 0.694096533328376 0.527939210601239 0.540814130946319 0.89758761352655 0.749903691134111 0.798823430991728 0.872088399661654 1.32576357696808 1.28264474645895 2.5321792105737 0.342603427459542 0.969374985583794 1.47697486536554 0.332307071566697 1.12391740744451 1.71046336011391 2.29257858855097 0.388243673996469 1.32362223238959 0.945942065956856 3.43713277403616 0.883026470392813 2.6063626852461 0.72667320086604 1.63828696564932 0.793917617447758 1.81866667217495 0.530243049495011 0.575410960861247 2.27135862116688 1.16724692973532 1.12360274684246 0.289597230986702 0.572270551657872 0.377629214825403 9.27161372347117 1.44405393021076 5.26510844257806 0.222161401609864 0.762799956071452 0.285551397950299 1.00974380636737 2.57095269521954 0.623878333069969 0.571689427920173 4.67425845615941 1.2241750229024 1.50626997397681 2.26466261601388 1.75021869600378 0.486023939681559 0.849515460542284 0.404012507931065 1.36959159876849 2.60801241566734 0.647057871730706 0.90337819484652 1.41763827594909 3.00595892818474 1.05669915520169 0.263444597184511 0.480324933547743 0.137285663284926 1.50892427730481 7.55409150013581 0.654933337739959 0.430297340498231 0.825161969307165 0.549030421896522 0.965791159689567 myristoleate (14:1n5) 2.3677000295717 2.0532049469654 0.685482020131061 2.12208377836937 0.848922356267597 4.43511756711627 0.581203430552868 4.14167778629737 0.732523295456658 0.34606680795694 3.67102228074794 0.535570307372736 1.44829013215911 0.708776709612607 5.48801230928513 0.597284124991436 9.81618443438185 1.53082446610282 1.72099871368136 0.317082060189468 0.283434296688448 1.24068673021601 0.769852325048832 0.258909912077462 3.07500638674291 0.837036434442983 2.30720177333398 1.31491295764945 0.737729914630389 1.00614180711452 0.993858192885478 0.226388009340903 0.479092232121354 1.61213751434989 4.1811411004271 0.55570791874092 2.18223839006449 0.17703397966535 1.51201267213191 1.16729686547517 1.58476085788522 0.10509629794009 0.842338461460636 1.61168733417842 0.485534762765118 0.651632480277534 0.395051231275204 8.65653660618753 1.3752734637429 1.75011669825952 0.668008790416472 2.88802299153317 0.224829688610043 0.236905417508981 1.26735877660089 0.318875532228034 0.689213755484549 0.0943264141495926 0.323785088775392 1.00021995941119 0.474757328156919 0.157814544887203 0.369720581247068 2.47646050250022 1.14996085756534 0.175597576083369 0.393342328725369 1.09794282807248 0.67174570125532 0.929384622677921 1.18477436752556 3.044861955895 0.237766768669039 0.268084752386463 1.14290608767195 4.51704629642528 0.384065275070802 0.38752964974565 1.23467563872432 1.09890155874357 2.98311084799384 0.668889669553342 0.0971170922225071 0.463209115004924 0.100220403905142 0.729320797810471 0.109937562362826 0.572330035975555 0.460946547817292 0.219794929834213 2.14988272706002 9.52706695683876 1.11438400829057 0.408535355057953 5.12365976008002 0.567603298487302 1.05588109106191 0.389781690423876 0.709606356717255 0.930204723311723 0.540527814431997 4.5268401905328 0.758665358379011 2.48001474306455 0.389853107024788 0.253042110073403 1.97729033922532 0.163575074869798 0.151897270344065 3.03260006028379 1.54877540894327 2.66409475152891 1.06088627890143 1.40742927185326 0.756790561016642 2.8240246784528 0.713760422336948 0.57864118051195 1.35665924746133 0.755985524822095 0.88965166199542 0.371452136250005 8.54184593426872 1.02955231964374 4.72436236552687 0.349109489850948 2.12451595957381 0.0627270975841456 0.778171649837487 4.89541933363811 0.389103083930631 0.743527345146817 0.864812001098551 1.56988526346523 2.80125468552881 1.29592638406535 1.29381278744368 0.892111033993168 0.526616790478069 1.16758528439365 3.4314602141371 0.482933971019106 0.486162931283969 2.85671849162336 2.52496308700936 0.463838176231287 0.859033170611972 0.999780040588807 3.0762502215263 1.49903352323144 1.94071730276014 1.07471900496738 1.43824464243912 1.98032041169587 0.0756849330927809 6.84006812027843 8.07530248231644 0.986706264692129 1.99442232627266 0.216997965612572 0.487108940873024 1.35520335309868 0.42009242089277 2.28697645191949 0.507915646802579 5.38545044096124 0.483196017869847 1.1178078019698 2.59936058708612 1.68155192588534 0.363582435987153 6.40124766289639 2.80499185674068 1.07925797630907 1.20638142293523 0.249848932501288 1.07978839335542 1.25148189911844 3.63509527820774 0.350755605305815 1.90790059352217 1.94736038570618 2.25766082995278 0.994875133559738 0.0852001908683052 1.17321901271348 2.29958538757575 1.53169426902794 3.18572729559783 1.18096451504381 0.897121764058483 3.75619867733851 0.285569098527775 0.670812375552156 5.37788016967617 0.333084311333158 0.966613241221788 1.26425609725275 1.14606073003649 0.606196569246922 0.820298889261698 0.251687091659543 3.56669167673551 0.257358462479438 0.890135732643474 2.03554951010723 13.0622605277229 2.21410626280628 4.66876204957536 1.10776409854368 2.60369884802233 0.559051755666475 17.130103508878 1.04280556694636 0.517702957192201 1.02328365310643 3.08684881706305 9.19249193555001 0.840703876811125 0.597295419846945 0.247886761391241 0.453407744471997 0.698817428499847 0.365414048623658 1.41637490784422 1.00983226193243 2.77556360484295 1.65533905765907 2.29046035457115 13.4244952729371 0.344603027941131 0.705338619674444 0.639722794975716 0.179342335309087 0.591143326032164 2.45609088848594 3.10335129653026 0.118987496348036 2.33352437894013 3.10704520862398 1.56774447646061 1.75660764896717 2.1226189561121 1.01663294495039 7.81890859030307 0.848501416550139 1.36428118419362 0.412235850869565 0.82190081569475 1.23271737320964 0.955471433164356 0.284849427489005 0.0721385037191776 0.745769380061686 1.31501105720542 1.71895953228524 0.946170499583859 0.711672193487063 1.59799089479254 1.29074042295478 0.155884957601322 1.54992860106726 0.964955408980835 0.395254619803217 0.353618034744958 4.49105649348842 2.53370198681914 0.196220161088698 2.1974341689119 17.2041965213011 1.1106186423998 0.690699853117998 0.535618071903908 0.903290744923688 4.06387489626692 1.17737292954858 0.627349794475483 0.738028527249646 5.73644756084504 0.652489628273059 0.185955624141943 0.531757669859317 0.0554560320999767 0.602816443843462 3.61812397851246 0.652384809532762 0.316857492506232 0.255049809266531 0.0757417688043397 3.74531448979041 sebacate (C10-DC) 1.37909420283092 2.11397969488191 0.514148064219276 0.703460904527866 0.378416618912244 0.399244391266447 0.840366455302794 1.26486811379677 3.65183199652062 1.37143918451002 0.936247379728854 0.285264696384539 5.21864681078236 0.965002697269318 43.8695156301624 2.90056129334531 0.573370392009363 0.526829896570455 0.469033668267607 0.79295798046393 1.99144526969893 2.16471635739845 0.123269874394981 4.06019110479778 5.31921295734581 1 0.251084974249945 0.393433595842659 1.01445885684313 2.5065565110588 1.09723422564105 1.01191061227337 1.00859926672919 1.74624489384626 5.31795273271272 2.85650060847525 0.982942539783429 0.517586872437234 0.750723581710087 0.304566277294184 0.770197890102394 1.12082225546659 9.42440257032346 2.23504662393129 2.65494880281526 1.78469742890141 1.92000062010216 1.1264806876933 29.8826673694491 0.312019905279395 0.685984916014913 0.739617551991691 0.594770988520359 1.07544627977459 1.8321693499004 5.42125245134136 0.655944066785003 0.380414073218563 0.99994574106084 0.723625117238065 0.534069187898706 0.388388587019712 0.648735379153716 0.378342931998047 1.64767345420158 1.29125423413507 0.971250513522103 2.19218206199471 0.307344334979188 1.87808481447319 0.675399772112456 2.93626124904078 1.06884839277271 0.585999643441257 0.645138786615095 0.949596546030959 4.22741316631915 1.04971514056941 0.278298749719016 0.538971095487982 0.591177496492547 0.348233871530335 5.80455930114486 0.783570393222283 4.94058646161955 0.723708831029912 1.38335180721024 9.37966840036896 0.787002658688019 0.757783444822534 0.306525800125571 0.232755346443326 0.64034539690414 1.28728247978855 1.98746153428777 9.37463007030408 1.38533923463891 1.25914844470627 0.33521172613188 0.354906170791638 3.28614149181078 0.686307369139066 2.82727829409895 0.409537171248963 0.694644642704886 0.736941811163389 0.482758834517987 0.494122206633543 3.51159203478773 0.639241615056081 0.283160350667773 0.532342203378007 0.347142491725512 0.724942834331956 0.222793405213509 6.96702451728922 0.533942066955531 4.61831626760509 0.840629093643178 0.833798668330607 10.3804326762834 1.42293912922154 2.23091364302269 0.51517777553852 0.380438877305036 0.217472928664998 0.289724132050755 0.909711574981978 0.30502205238313 1.67288990861244 0.477956143274605 0.242196401857206 4.135591538706 0.239018378277821 0.599958143104076 1.60574834704018 1.43672400027905 0.253513266310625 0.640701955647193 1.69842571563665 2.12360496391781 2.90540806597887 1.46503476447745 0.489576857787321 0.44223825875313 0.629347885064064 0.375019184410632 1.31027586794925 53.6790785281875 1.14948647789723 0.81123935168319 0.331736053514817 0.990929455627815 0.440945345745712 0.717647332398013 7.49703823704955 0.511286634473029 1.89300757299765 0.453762857430762 2.05082047267287 1.74893923773942 0.4707753602406 5.23902612955484 2.10112005952981 0.736879800947206 0.645858105122819 1.2333552952849 0.949754672082226 5.26562541178659 7.6676593468774 0.581724039035431 1.04738355644092 2.56216601685128 1.09016440458566 1.01263613180271 1.45945694553178 0.466704389548178 1.47682600708467 0.845540302764881 1.08609653440404 0.281489175341638 0.780516390075265 1.75564874313043 2.8423281735666 0.42111757912116 3.62637604545349 0.345040345396904 0.250645293812156 0.273145700754199 2.20815279317268 3.17051104169412 0.501693654029501 1.50464999108603 6.67228995977087 1.25710830859384 6.79213710458798 1.73298090860469 1.57362705505732 0.461111068048461 1.03111827673609 0.292923859205804 11.0565579679252 0.617339606700204 0.489741184860206 0.348109851097968 3.1779553681469 16.5677252327321 0.473320879614917 0.781229507561371 0.366802830766369 0.528184418382929 0.907674539380363 0.677805768500361 0.847034748974894 0.999955042593267 0.379573834789281 3.91698382308485 10.1245506197146 1.37757245506197 1.22427699963569 4.86063048887304 0.264628597561448 0.22448008309369 0.287268527489904 0.697106448287355 2.89588329677314 16.0607483082838 1.04151118896838 4.10644983761075 1.12883397539745 1.26821433831224 0.568714295680213 1.60848919859547 0.76015223508073 4.9844896946772 0.317591523203448 3.58040787219695 0.922451573896799 0.246409996046849 0.306187844447373 0.399048143181589 6.4376898093961 0.572624039810559 1.00004495740673 0.685215989334243 1.6961065335514 1.15493097487811 1.78138608335723 1.27983195231414 1.27177992574277 5.49096433637442 3.31481811628466 9.239283471952 0.372324840517475 1.71557464092209 7.96854531784111 2.17241630558634 6.00419499112479 1.61780933408779 1.71513126787638 3.46585019882026 0.906021967119083 1.4820503677981 2.34745254280643 15.7719605304974 0.905817333405679 1.44734635031121 5.78984737735542 0.619283626977545 9.98206974599065 0.393005247614544 0.26105990962011 0.510142545984451 1.31698537334026 1.04489694677198 I-urobilinogen 12.2566290953346 3.44523023525198 1.19195260607914 0.975337398382499 0.444532187690484 0.132108512095651 2.5306601550472 0.443543505172779 0.147960947040551 0.889146067368659 0.356451991294567 7.64896795788883 1.00030686862043 0.999693131379568 3.76087760236111 43.0261979920528 0.0316854942260522 0.549253460912479 9.24198737754057 1.15653912941477 0.0577511987500674 0.72631754754593 2.81950110446635 3.35291094229837 0.364098917084209 3.68886266903723 3.27302839286676 3.40249340014008 0.126275523948063 4.66674963633425 0.507448952103874 3.28238456979689 1.23075265341307 0.663938365389796 2.03855934486289 0.479191853887183 0.259475243790744 0.998891223533215 0.312851678250094 0.893319325467378 0.205243251979958 3.59016971068369 3.14273907655838 5.8452249340014 1.47650557620818 0.0489240881418027 2.04291148106244 1.25983298313668 0.156297613275147 5.44512472388341 3.23001454663003 0.108904692635095 0.192575831043586 0.0398135876299768 0.479754323581704 3.43534292333387 0.228810947686008 0.836465707666613 14.003990086741 1.87808631000485 0.0832638327676311 14.7693324713108 56.7715500242444 0.413608103011691 3.45594741662626 1.20782931954097 4.3010107214051 0.414942082861915 0.531226765799257 0.427384300414848 1.60901891061904 0.0686202252033834 0.741776843920047 1.57368029739777 0.854179192931415 0.0340951457356823 3.52537471041431 2.01282042993373 10.8326253973385 1.83114379613167 0.63872528419805 1.00110877646679 0.0717159635795485 2.58554388233393 0.133692150207424 0.153904423253058 7.29892031679328 5.74528958569043 0.292042454609127 0.284238995743764 14.7012380798448 0.95253596250202 2.14082646409137 2.59122999838371 8.85170087818544 0.489335703895264 4.14511502613006 1.38006141910457 0.660242443833845 0.140703625882226 0.29146597704865 0.556809439146598 1.51725984591348 10.743187328269 0.0323366197941921 6.08117235062766 0.134058509778568 0.0959484941544098 7.96538440816766 0.404485749690211 0.670945530951996 0.029569527503906 3.15561230537148 1.82115726523355 0.215838586283067 1.75329669737622 1.21480415925866 0.572912019826518 0.0936318086310005 0.0655320295242713 0.19727277625128 2.16660093744949 0.709606163461021 0.131510155702818 1.32581649695598 3.0935014277248 7.46564732503637 1.76227897203814 0.120296320241366 2.41918215613383 0.0919443995474382 6.91216744787458 0.055462528958569 1.99791282797263 2.09551532783794 3.57861214374226 1.18514411939012 0.257972092020904 0.272392651258014 1.2620365282043 0.0564678627229136 2.13488281881364 0.183513819298529 1.15189914336512 0.473315015354776 1.39456063789667 0.35100587252842 6.55343677603577 0.265548192446528 1.05977802920101 4.10819891169657 0.821633532676041 0.99492915252411 0.0682646409137439 0.854952858143419 1.13224610742956 0.10050967081515 1.93613167393998 2.14608156888099 8.41903022466462 0.159085178600291 16.0175421582889 5.2463811217068 0.664599967674156 0.114705026668822 0.449857227520069 stearidonate (18:4n3) 1.54914455054274 2.04067849489313 0.314796535069549 0.687640969512226 0.732152172912373 4.20123158126237 0.620645182188444 1.75315481883447 1.624939264836 0.200917250150453 1.56693100314885 1.82540089470355 2.2976941522053 0.730696660034813 2.62901065188224 0.143063703302118 5.47454322894557 0.394262210538339 1.20551415619465 0.957094122881941 0.375596270136371 0.480352067893815 0.717332792896927 3.57823690720349 3.95114271612768 6.39312486467779 3.20990392336373 0.763153105463522 0.589035832468124 2.23042239282055 0.334049155845152 0.567472718190544 0.772258904840571 1.04290587711806 0.956769775795609 1.06859258937233 1.07598806649676 3.3455763677046 2.18021109858219 1.05194149189999 0.782501652521554 0.367806052293912 2.34200444678527 4.31723571143262 1.33890654327839 0.290481829332523 0.23095535187221 3.41343473511935 0.536868374449012 0.566500295156256 0.376888734928473 1.52787017366499 8.52269239062428 8.87669255322533 0.680956235573575 0.227579259175471 1.10834638265683 1.05051908618209 0.775844553395004 1.32246899091909 0.222443540319758 0.16191247114715 4.91336191812684 4.11445205213131 1.10707279224888 2.04858059886674 1.44880859381904 1.07333660891973 1.34010307492727 0.778230547081841 0.379153484787965 5.2626427619556 0.560359277627156 9.35741160335241 1.06440203463402 1.53547813546082 0.847724822464396 0.601252735055726 0.624958554405958 1.20916044835473 1.26622634773295 1.8746455473823 0.396378238323654 1.44159935807933 0.56252611337535 1.11845097755045 1.22747604285598 1.08124361525763 7.0552836504643 2.14225365057034 1.71757788060134 1.33432967716622 0.940951428238147 0.945262123499033 0.21820460160975 0.326880074655091 0.356992375424619 0.298582896490292 0.50169493921902 0.805176015637979 1.29523296135397 0.151495399450691 0.768022028907639 0.325265375520058 0.0997992230497595 1.45694430207034 2.47303897829983 0.193649368507004 1.17460277623621 1.13856048582366 0.957303791785819 1.30652136259681 0.733229645706449 0.672634596554979 0.515319846872227 0.826508213120491 0.886397361621203 0.934932008016939 0.802517841930569 1.00071261678114 0.744332469662532 1.88229698728531 1.22502712963192 1.7344152194584 0.14919530153658 2.92550432836929 0.169555780997593 0.695766363498185 2.26277991240752 0.114910162919184 0.64452511656021 1.09717993220243 0.402756441299253 4.06759997313548 0.673344385491745 0.659062710983701 0.65326951831206 0.416790679424958 0.405783648696894 1.19017359429624 0.757647021396178 0.173689029024288 1.01369595724299 1.31962241208055 0.797243912181293 0.325786405845154 1.62775529248748 1.30999112763829 0.685793263367751 0.496704500867795 0.575155266329918 1.12407096475445 1.13885670252138 0.153279769247899 2.97744829463311 5.26260953478425 0.866588311812259 1.06003124768028 0.65460001908795 5.65175167284669 0.489456028787456 0.391352451917809 2.15341055704999 0.128195729248041 2.49707742284403 0.229863450465004 0.696279263770718 0.71699781902503 0.56058479821563 0.412218408559885 3.63469340864826 0.57967734295743 2.60790912722118 1.51058179363099 0.0787197641577796 0.142717770527499 0.173539860233792 1.55882764642048 1.78170526085097 2.4559110784338 1.09104032859552 0.387264802881573 0.332348418704777 1.46616413515682 1.10331564752334 2.32201653581995 1.86414293339366 0.693153788781235 1.17680602048066 1.06258019589892 2.65030523045164 3.68692864288214 0.428835529036659 2.76834864493233 0.51978890141781 0.459726193968915 1.31690131883592 0.977851969416863 5.59884659297776 0.470763624023952 0.414330808303965 1.35836741474933 1.41590238281236 1.13216814362622 1.56743701860368 3.93064287506937 1.05476968975013 2.47073817342463 0.652316181278963 0.748438853167716 0.164687646915352 2.65026528714992 2.8536187570917 0.185827550980732 0.922471111802362 0.974636356888099 3.18287916974489 0.550268468474838 0.583900021562313 1.20085012071361 0.245211575780927 0.579171512295821 0.923799491694975 2.08913436149042 0.314491288471939 0.864637099197246 0.79150020678612 0.674632468602091 2.85997469079289 20.6443416601567 0.328416301108869 0.390700987271166 0.122839792012047 0.335994217058264 0.946489761435979 0.891090876313622 0.553144032718159 1.68504847985691 0.774581567403438 0.956240875783401 0.508366177567418 0.575169405551765 0.34673613737668 2.66619948321144 0.487115634091078 1.83983619711489 1.21231632267118 0.322663405219494 0.999287383218865 1.32556512702323 0.198849774302671 0.800085188811634 0.982225230734427 5.87218390885858 3.7511557046458 2.49787275407298 14.87494176408 11.3047345184358 0.29867975015995 1.11207560241922 2.91852025973751 1.94431196779085 1.47425777922312 2.0099621422335 2.63617590605901 0.862270193459903 1.19388973527842 3.72095856854518 5.23018264339822 1.6201063269483 11.6745228896328 0.240403179910994 2.71428839063842 2.81370691513993 0.681093032544954 1.01920106326948 1.6627866285379 0.513769127716056 1.9054906133241 2.07537831255457 2.28659813857144 0.874288178550093 1.16450560443406 0.972247181876345 0.567800043124627 1.01118235707898 2.95166613055451 0.470223859229907 5-dodecenoate (12:1n7) 1.9296015393734 2.91273477927037 1.08168158602283 2.38863853389171 0.983024819805568 4.66853123638003 0.608109103233917 6.36446756979963 0.616898086793162 0.449144380780956 5.35440824817839 0.55517731122491 0.722757832931835 0.701548272486555 18.985329946085 0.652590364668099 15.2796820988595 2.53418890857668 1.5687012784216 0.3491752996964 0.253843096458621 1.47589128151349 0.760106155742583 0.344407214349639 3.00515691049754 0.569844486730412 2.35004050162043 1.01697518019443 0.821246212192991 0.910401828365718 1.90230486242522 0.303163444007379 0.419064281840426 1.28866129731356 3.41392488166739 0.791639611616205 2.66605540697311 0.282346148540525 1.58498459909374 1.59976346738942 2.59632132238664 0.17512369227219 0.60596151506488 0.872768345758197 0.952408512847736 0.50599578065648 0.358981272097875 19.6230591845627 3.00705247753254 2.60150652290782 0.722006721452843 3.15296946361206 0.18949383928856 0.164702811709295 0.797699948334094 0.922676540491903 0.528156988052172 0.0850524091409339 0.362855866080856 1.25649016591479 0.664704789017704 0.122583816358761 1.46702117092482 1.69543960567353 0.21488434025244 1.3874049641607 0.907484298426551 0.521185463852127 0.956736957266643 1.42377045729095 1.71593056902516 0.21655388642294 0.424673738296951 0.83614859402904 5.91314986857878 0.286457321658994 0.384528329362821 1.33052129061013 0.809129488809947 2.21102277324251 0.541482883604228 0.0966219895770258 0.530913123349384 0.303495439279999 0.477910789892837 0.346288347861122 0.486900797041388 0.470848774755029 0.287393402722126 1.53667500005234 13.4746361345435 1.31970192424676 0.292814717129748 9.34134903145618 0.434826170165301 1.77404133691172 0.262154107695382 0.853316981380501 0.819388230083328 2.0244139432345 6.71602989969463 1.47637337444894 3.08565955913466 0.512389930801184 0.322138200830795 2.20797376367629 0.196192029679167 0.30165235521857 5.05076308983982 1.79595061195369 3.24382236512605 1.26038523085541 1.40176185157951 0.774723159375943 5.3685851753512 2.03650995295634 0.422616872302864 1.16038669638988 0.638680618864965 0.643693211993283 0.683726030660377 12.0767109591504 2.28571990193481 4.53567169050331 0.381388596234321 1.50601741473672 0.232326061413338 0.570920353319424 5.9721734550766 0.358747251832093 0.625337974347564 0.588126658467428 1.12851783520553 2.33190354550008 0.933136501973935 1.86489098168245 1.01580125305523 0.432914229246345 1.07994420733544 4.57212185895836 0.593090400446825 0.392873966594654 5.36551499695378 2.93929477085671 0.423281713177225 0.899725805479843 0.994771531318355 5.56911053456417 4.02354160128948 3.1073503997536 0.992186142417848 1.30603686214648 2.05930296854475 0.121536773400224 11.0090137348495 32.8317301239214 0.850077219708973 2.32650549354432 0.275832894642262 0.465659154368002 1.22342445158188 0.911832748554064 5.99445446409941 0.586406632776376 7.42538394095245 0.617948423887467 0.988518351631966 2.35184458448957 1.5319773805223 0.414239598136492 4.4389875901798 4.17934489678799 0.927085938243308 0.715899862588697 0.590308443828041 2.19440849749452 1.2547136124657 4.49672313471774 0.856444152784992 1.74942733659116 2.72730614061268 1.3461597065023 1.52216504570025 0.160307836678047 1.81547083318891 2.93464553722655 1.41025497275618 3.00832981876456 0.806579458836277 0.728419248934522 2.18664791092714 0.445990053440831 0.763534617901434 7.68526274823072 0.482223648468993 1.21975898704119 1.27074027867952 3.10630010005181 1.26539317149335 1.27814657810496 0.281188841560138 5.57874933149529 0.641252748167907 2.08176426156952 2.67049039342157 28.3216529460849 2.29144804808256 3.68737032636987 1.00157510061592 1.73609353180547 0.694813147844745 25.8489664376323 0.635626956808373 0.42044229830233 2.28952936105256 4.31140071829799 34.9866112958279 1.09084685327651 0.539354834507428 0.44078182309231 0.471254937164628 0.637450500410233 0.379333823860902 1.32884965081897 0.931700743444699 3.01767783504735 1.25650482125946 4.60409679692322 25.9260374995377 0.344774427493613 1.92599050938489 0.797564793488747 0.144023887746573 0.491946190226839 2.59818790152446 1.92774007838981 0.13331036553919 3.92332835439322 4.31113808521641 1.7243697213135 1.32730548926403 2.21171855317785 1 7.31711490697462 1.01129322250791 3.82334214902718 0.476310333204382 0.874451616775298 3.751051288356 1.14668441436661 0.876276323499752 0.109040416881747 0.487160406004225 1.00021145568747 2.15945759406231 0.784241456806396 1.75614390431874 0.470119729513515 0.750285023191501 0.277324715680498 1.87067635346179 0.907846029553084 0.426702921973317 0.5029086206692 6.42205950395613 3.8740342883888 0.24539374374967 3.10884222079184 33.5791664272573 0.995454051656135 0.425020116205252 0.418712037132456 1.73994370021399 4.21839464423918 0.862183232285119 0.807713270740279 1.40776565778188 14.101069305125 0.581427537578746 0.263582422240021 0.517305286880698 0.104654979455766 0.684219892513515 7.94718981439588 0.602904596265027 0.323599780681604 0.699183232052495 0.223637535640984 2.56763569511579 tauro-beta-muricholate 1.29352137949806 0.123385973490061 0.493553975062713 0.697377065155845 2.17618910804085 0.483938283490683 2.79705732618919 0.13961990883323 0.071288516112122 4.72478254221882 1.09844028542961 2.32792818222601 0.346097689243296 1.27478229019126 4.87903853165382 0.144200089721812 1 1.19984777535271 0.203050205570481 0.162992944908455 1.19503404892359 22.5267628067806 0.59648875200992 0.511813036333759 0.375639035968596 9.47706317327004 7.78986671535512 1.3334809202118 0.134119956180391 3.23020814314406 0.85535877305094 0.105299433996713 4.64383330290305 8.73954719737082 14.1900766843162 8.02797151725397 0.234585539528939 0.99171991966405 0.941984663136754 1.74739364615666 1.0490825269308 0.250324082526931 0.602350739455907 0.681029760817966 0.957189154646704 0.282878400584261 9.23242194632098 0.42358042724119 0.252811758261822 0.415291217819974 5.48999908709147 5.96186781084535 0.682727770677378 3.75125524922403 0.680801533686325 29.588214350922 9.99184316231514 0.855819791856856 0.629628446229688 2.17043089282454 0.371220558700018 0.577213803176922 0.421047106079971 1.5298247215629 0.240505751323717 2.69019536242469 5.93500091290853 31.2411767390907 1.1921444221289 0.295645426328282 1.39429432170897 11.5148028117583 1.62862424685047 0.660306737264926 0.445467409165602 0.709863976629542 4.03562625524922 0.278377761548293 0.490021909804638 0.42756527295965 5.18540259266022 2.00206773781267 0.374182946868724 0.357508672631002 1.41393098411539 4.35015975899215 0.216646886981924 2.0638077414643 4.3623881687055 2.2090241007851 0.328414277889356 4.13674456819427 0.204235895563265 0.597101515428154 5.00187602702209 5.09760361511777 1.59591473434362 15.9148986671536 0.643637027569838 0.397945955815227 0.139688698192441 0.364871279897754 0.958722840971335 5.91826729961658 36.8631184955268 0.166560160671901 1.32367171809385 0.671823078327552 0.702734161037064 2.42792587182764 4.2719828373197 0.166870549570933 2.01015154281541 1.74320796056235 0.659959832024831 0.2599415738543 0.31547836406792 0.281344714259631 2.98275059339054 16.0498174182947 0.290697462114296 15.3683312032134 0.340907431075406 1.65209056052584 0.589136388533869 1 1.46886981924411 1.35796969143692 0.224589191163046 3.56394924228592 0.284138214350922 3.0662269490597 7.67999360964031 4.20840332298704 0.312511411356582 3.56243381413182 4.02269947051306 12.2137940478364 0.927318787657477 0.155650903779441 17.0825908343984 3.29448603249954 1.74009494248676 3.90924776337411 0.331750958553953 0.293207960562352 0.0985073945590652 0.652715902866533 0.441605806098229 15.1220147891181 0.868367719554501 4.92486306372102 0.684056052583531 0.837228409713347 1.68691802081431 4.62327916742742 0.813310206317327 0.912264926054409 2.42396841336498 0.387146247945956 1.27129359138214 2.55797882052218 1.22188241738178 0.611310936644148 1.86246120138762 0.961621325543181 2.84691436918021 1.1864433083805 0.503514697827278 0.531632280445499 1.38623790396202 0.808074675917473 1.19629359138214 0.827528756618587 7.9349141865985 0.854806463392368 0.433079240460106 40.9025150629907 N-acetylglutamine 1.5522550491842 1.48814264261731 4.9716199571431 0.864933268091856 1.42072316803618 0.413948740445779 0.98932373833668 0.416762279177283 0.909055629608382 1.01067626166332 0.644591425245077 0.930990264396713 0.842905832925574 1.34875647493546 0.468177906760929 4.34879865692544 3.12080078289773 1.66527325493108 0.57285673308924 1.04874128941907 0.75436161776368 0.61022575801036 1.28021074122193 2.19713753016012 0.965229385661498 1.90387568123914 1.33713955489564 2.64696205308182 1.22771103649586 0.671119678741964 0.790102417871665 0.837409519631498 4.1270774630064 0.748456139166821 0.646033133753687 1.89989226231477 0.842049488687543 2.93244317278652 0.808324060827637 1.10586110669563 0.482492626150232 0.834560836468323 0.637630477401579 0.416922764443031 1.31713294123881 0.48760133524082 2.1609662834031 0.581054946219467 0.236387078542539 1.24110722548968 0.847537928963775 0.396434942333846 0.459377594093856 1.80645631325174 1.01068104346597 0.708816828273195 1.37835355622671 0.547329518359561 0.777402462071036 0.495986329677317 2.57167646902983 0.41406153411399 1.59448683304191 0.426592663240255 6.17878274077606 0.594508910436426 0.873933661844964 0.867204471997033 1.10714159557746 3.57875448171109 1.87590738091453 0.843895158868931 0.512539960084071 0.628313816916583 1.40945177413942 0.348469595012275 2.26710998074851 0.510124693124216 0.433789893851887 0.659425281266006 0.450767410233314 0.409442943181617 3.07759321075964 0.535407725321888 0.30590437838888 0.742365636976987 1.66691834896413 0.378874582737244 0.391617654850845 0.730033204401349 0.93673060280118 0.685291156678853 7.40362334198767 1.01878344725269 1.09972359102068 0.728841025097582 0.660807326162596 0.735676186439181 1.25180593087126 3.08415902788817 1.28686924883873 0.846001342305586 0.481600699411858 2.18795810593617 1.34123262509052 0.459479150108621 1.58022925166464 0.363808968720748 1.10768469948251 2.4282219749554 1.31021388579805 0.364219608258712 0.602964552535368 1.49754057825112 0.508844204242392 0.34381568024868 0.89768452286335 1.26920733322736 2.12832264787439 0.437167735212561 1.03159716702874 1.62267966583656 0.616175665412671 0.548755718045179 1.00618608594288 0.386659072042954 2.25530299016231 2.68937547466398 0.813799254667161 0.487102386124799 0.558756777760116 0.981212137268408 0.434655327716844 0.671492785107473 1.44154347480528 5.19719528780092 0.364113636765044 0.909880075592999 0.586070930253095 2.02262049841926 0.89016496229181 1.15362334198767 1.14355605008919 2.28327946449072 0.517229198678889 1.04818170578781 0.694797682756672 3.6163831929211 0.841131069075752 0.904104629188082 0.788189477030679 4.39056677087197 1.74201239866476 0.72383387202176 2.76313604973595 1.07805683604444 2.51235450997015 0.684862855225278 3.4496591250287 0.699345626026599 0.952674897119342 3.64304827001537 0.580445610130875 0.593656723008178 17.4442148395415 0.274329288754658 1.83678182235645 0.338848266482983 1.21157208710857 0.660992776276515 3.02568042529893 0.784891114290256 1.55483141701549 1.54635369752203 4.77708454759003 1.00269344213073 0.838102050548402 1.31020063936135 43.602620145181 2.10713276461965 0.635727405994454 0.830604567371377 2.86372507462159 1.72963139582119 0.311710733146117 0.738360797612109 0.617049930235433 0.805573217471167 5.0453646302478 3.26558222504813 0.935507515145093 0.997050460092902 0.539598014800685 1 2.14762712163761 1.12329783288296 0.615252830321977 3.74224200356771 7.05759109132977 1.30468129073279 1.09420424239213 0.872617849131917 0.978443631996326 0.508040587082075 5.67748017449973 0.906466910401102 2.74295289567106 1.49372560447906 1.50912237941327 1.25405782511171 1.78359737897172 1.43699111605645 0.616550981119412 1.68457143361769 1.37668892068034 1.36678941698017 1.07789346332503 1.28687366431763 3.82512495805295 1.5981958353203 2.33573535385648 0.623562761617125 0.556213461912079 0.384332114661156 0.955915858634027 1.23246613327682 0.680875677776012 0.942810717250393 3.73872286688214 0.29650382380473 1.31171956410392 1.78142054787262 2.7437874211837 0.377744220138116 1.03566823857716 4.47322453593317 8.32360603331037 1.24894028506332 1.23200250799202 1.27831205072502 1.59684469877603 1.8859481799396 1.59064536639644 3.11998622370582 1.25842473374662 0.90899697981243 0.596076405446935 1.20983680389975 0.516138575389887 0.374525336017945 1.38504742224342 N-acetyltryptophan 4.49905249561054 0.768151476946638 1.89521503837715 0.309149411773806 2.25120081678746 0.166443648626699 0.955863054032243 726.74843049443 30.5004138080395 0.633237164860607 0.275116601050376 1455.50302041195 0.692459412005848 38.7125233008733 2.65197841494762 3.35465798314345 1 136.934533247736 285.217415517415 0.260864072438322 0.650049889006629 1388.36097210083 48.7614918746665 176.466087077587 0.626871482309384 1.00709274714395 0.71618956275573 0.937456975565989 0.38321202698905 0.800034032810723 0.440562469544502 3.8234470596425 0.528599163102245 616.146263423933 1.25454717857325 0.697628732382038 0.414267965640568 0.802715299575248 0.770801776809572 0.717988616553894 2.56398386575217 0.668749498539992 0.540011038198488 0.894332347027345 1939.72698693651 100.235147666296 6378.29473448756 0.306025543461083 1.2912017777821 0.861232339490249 0.422641436035585 0.182504698528321 2.2013766140934 1.83106207406291 27.0681475033978 2.07467560096183 1102.65563008906 2739.78648623021 1574.18886017228 1.12941679897107 0.627431625168065 1.07308308554118 0.439013953352671 0.816486303151722 0.849634937113876 2862.12696845847 0.612362296042539 3.13715812584033 0.585253064072609 0.604805749588499 0.878674638158615 1.75797655720048 258.23798744952 1.98644781533629 0.531637567803472 681.522950456967 0.742224026802886 0.314471953493687 0.705608328734084 0.417015358656355 1.84851409801629 0.595625080537517 0.283224612751307 0.659797373686783 1.86887884483065 38.1030880211233 0.555483966651998 0.481241140873185 1534.11383446106 0.537745046790778 0.473883962761884 269.589802066137 0.675343241777879 0.418226156640303 1.409407754456 0.97081685100134 2.49108799194746 1174.5880588088 3073.70059737563 171.23265069937 0.932970904378566 388.483881555754 1.22714618805297 1.54060671190545 1.05560674837527 1.15169256429021 0.36466414943873 1.09669607754942 0.237763767964425 0.420939511158549 0.769279769705251 2.52105645771081 0.175210734769596 0.957323018047698 0.364236236898218 0.84629430171238 5.8003787998512 1.23116273076278 0.40677949618161 0.650782034480998 0.740726332911094 0.358770626721679 1.31401243377689 0.702831759863263 1.41203844405165 0.852051670439267 0.588754166676797 0.487441010068101 0.435016861212889 0.23645571713036 3909.1325775166 2244.59651008147 1.59341987216113 0.189108167051221 1.35493157046334 0.476295833444769 1330.98250178094 0.942613524467601 0.280423730667957 0.504358143345838 3.2159669729321 0.566317934154958 0.89882542870272 812.658421245858 4.42637108283755 0.529857840646343 48.2667013535165 0.444824811147122 0.43653886831721 203.84526099018 642.968866931357 0.865915064223351 0.917478525355034 0.971016219344078 10.6014602515445 5.7308284240905 0.823605211780238 850.88575950829 0.314155881730809 765.378296567704 1.21305425007112 0.765589024043336 5.73830230562194 1.00043520650427 0.573072144595538 315.324204532469 1.3026533008833 0.519451785683894 0.486813729184851 1547.35352626678 400.497448328345 1.04420385169913 1.01643816299091 1.92992445884867 0.207527856863255 1.85150948579987 1.51003041582887 9.02399470944495 0.581956192453665 0.42410022878733 677.237382050528 504.143404190139 0.62591448070625 0.444552503166796 1.38128223020236 0.396869430754755 2.55243508980085 0.764713748392289 0.719374469668052 1.93068789372209 1475.32270683858 4.08545607939723 0.508364960770632 2252.17647502182 4.25485595637237 6122.2212939978 2.96289560635936 21.8828929805324 3.35996440545686 0.310328982078731 0.600332118483147 0.310970850889499 6164.73193467526 297.927011735988 0.661290204936068 0.700356674827802 0.751560300414054 0.244722209390249 9217.36465685547 1.00644543264146 0.566488126642661 0.999564793495729 0.581085779445124 1.04577448522851 1.21209630949747 0.398498415994204 0.464460161585611 1.07503300518601 0.297958419543933 1.8124138400531 4658.46794667626 0.696539500460736 1.35184379247214 0.441143790770218 1.20719476585161 0.766094738863941 0.158181760714225 0.698217112125242 0.32353591912453 1.3064121235403 1.34525977451927 0.486293426436729 2870.65058752878 2.29435033880462 927.535111925874 0.970286822968206 0.394622889917068 0.459344661669491 0.447265857685042 3497.38078137802 0.357355597752487 0.262660497594208 2.37612053518243 0.600191101850479 2.46435318345048 1.51628377409135 1604.08510596914 1.0412570903406 0.400263555223815 0.285578131724123 2.09694164099597 0.452216027755963 1.25758633013939 5.02203992715762 951.587647915507 4547.82697745436 0.513242191203966 3.91341578754142 951.279103523228 1.35888003617806 0.775032275789632 0.60127060848677 1433.42620332167 0.8181396016037 165.894796729387 1.41870998956963 0.750694750048019 2583.35216472688 0.816286934808983 1.14761280722783 408.324523035553 0.544285300961101 199.515977427614 944.484309468294 0.545194615109689 0.779121758137024 0.481027184602929 0.364299451250793 2.30189229733114 N-acetylphenylalanine 1.92602928240515 1.08563285571867 11.0979885450672 0.3694571612878 0.88268428563051 1.22518912367809 3.68681666243134 0.843300428093907 0.242659264616768 0.731653537150341 0.708782766776785 0.436629982211623 0.377868913345192 0.24301815978263 1.81823171804445 0.555262427429286 0.804180073108275 15.2036546318197 5.48296968156851 0.689239791230917 2.89395859804132 2.78528217057294 0.216280078972575 0.91436714428133 2.83372754461755 1.13002717125711 2.6897081533319 1.35545790409915 1.30751451414274 1.7002224524503 4.05645522606877 0.435709678049925 0.575609203041617 0.39956838751295 8.36801063393084 0.58922063451727 2.89639471612149 1.12891179074328 0.636838606393438 2.73403600674574 1.28587808912494 0.506754531730309 1.23347077297085 0.954069944531535 0.811549301262712 1.21775922229155 0.454669391700116 11.2681412956137 1.14594245782368 2.74955843338771 0.283928400870731 1.75351150591678 0.634479782973039 0.167451753175074 0.272554348213467 5.02033273475734 1.47103337278961 1.64605959117846 1.01370864159047 2.21112895170637 0.796330043303702 2.37282525176544 0.934317411908827 0.751933413132906 2.33305978457917 0.38673489704382 8.93697085066376 0.295628431140081 0.928301556851969 0.640387295616552 3.17816007021349 0.831289479048811 0.425786634822867 0.491771916410977 0.854955643760641 4.08092798128147 1.61466405060921 2.52867581336404 1.31997458705147 0.771664087198536 0.333130112110639 0.826787566662659 0.568460287991241 2.02127502864184 0.374597695632898 0.523843171505565 0.761462793647143 0.966816334424519 0.276974528603585 0.345153268875933 0.292232751816517 2.15606154419301 1.95103778251591 0.19577188980056 0.648724909583979 0.473229207403969 4.11336037775388 0.720619604559695 0.217895600680276 0.706443855108178 3.50026681695217 1.20814430829309 34.2475662159844 1.98679648115246 2.08786759796791 1.36535770340694 3.27806222941126 1.02908661168131 1.9513314474784 3.23064911836361 1.40667417777374 7.98237535039029 2.82923382431137 0.37682061585059 0.764295852718943 1.70083048261318 0.88271411050641 0.562204939178565 0.393860786651454 0.887390891349191 0.236316662065282 0.696706343115671 4.4845661955514 0.667384514352756 0.479590997885897 0.371921447948836 0.240358594380735 0.494164002853017 0.552494037603371 1.15597648589482 3.70365403796451 0.366550895511821 0.315141470006971 0.377674049948704 0.393574724665338 0.933310017539116 1.81638812053949 3.68449453749907 1.49656796894564 2.04424837213148 1.23451713259448 0.580466338059692 0.454503076591909 1.90083247839448 1.97492728465876 0.395315806255254 2.73105278889053 0.324976870320309 2.85020568427025 1.17188761470397 2.17085693621911 0.438791525912607 1.08180564986678 0.302086209198746 0.326459450713468 2.25292916544504 24.3855602371939 0.338858004437287 0.645293116122634 1.05128160046454 0.61200158331983 5.18140178926545 1.31187646683986 5.06192576738979 0.398528063773766 2.24705301507908 2.74331163792346 0.478106516748644 2.20035553418274 0.408103062146254 0.377693057389642 0.319445705007368 1.72263962034538 0.231961106974353 1.62010873206589 1.51749801253446 1.62159606431928 0.960448841710308 1.22344244713199 9.34813791228921 0.591622755518217 4.127994206532 2.05513013206845 12.0209861155396 0.691512559879379 0.529354379005521 0.311034912392329 1.40301999725343 0.593156656001908 0.208665587360812 0.509430779414371 2.84477620876633 0.284442552148102 0.307662041997891 6.71945254768611 0.324337269932747 0.61853158965406 0.645231341939586 14.2616887446013 1.18178859068854 2.08150580748599 0.300350829841112 0.277271995054264 22.3462471471019 2.73349049319082 2.59529404273538 7.61627873271689 5.44078493128097 1.23983351382483 0.395785290046421 0.995369312201494 3.13036966146322 3.1451099319106 0.278365873280242 1.50775004644943 0.777267480787041 1.62533672869587 6.79425823224147 1.55437054720997 0.827130650971589 0.831978498782811 0.503916720798275 0.566867464440642 1.27108364747089 0.728361335253719 0.492558824465808 0.7892250618811 0.730639377050131 29.4613471808876 4.1510901480157 0.915207330789821 5.42445658914324 0.584691692180196 0.84897115098133 0.587509545299246 0.275990893535047 0.376037509283947 0.158281613294565 3.92240402311495 3.12076805267342 4.96061515681852 0.274202293342786 1.37806797916214 2.58615336438832 0.757973977862984 1.25266258608589 0.959136377913544 0.321705689734889 2.28574266110826 8.31085814319161 1.15271385865782 1.46184137435202 0.951585672000947 1.90128295474471 0.660481011804096 3.37139921850907 1.54816651848783 0.947448702480804 2.2336299602887 0.441504838106498 0.427119056432617 2.38727375799441 0.24028351498903 0.838389708611179 2.14021123919486 0.206877937540599 8.3580897331783 0.33254468292975 10.816863781749 3.75359228754077 2.52896472646629 0.321447188538133 0.527396612588913 3.52050784080698 3.58859154387464 1.2276354886029 2.89864899861673 0.692665361172265 1.10628343230666 0.672625816191394 1.48804123094088 1.75263526288954 0.959415787295331 5.04200311817069 1.40070679169128 0.87710311394153 1.00463068779851 0.399725532552856 0.270435018548886 1.39906454879424 N-acetylthreonine 1.12390366747478 0.734773717770889 1 0.876174229174959 1.44911941606661 0.927278703156473 0.988675837363857 1.10379100379131 0.91850728911618 1.31182657089902 1.07875728208035 0.39518930393564 1.02053958757996 0.540401725586687 1.32325174790031 3.48971889863183 1.71296240456404 0.614705078258492 1.67916807383195 0.76172997905334 0.304650530501313 0.489615874030564 1.82902715627978 0.974003123906934 1.27757390633104 2.54948924925722 3.4062574127457 0.493186304663346 0.892641832209611 5.27205706457281 0.652013050452906 2.86170971051755 1.1991764216063 1.99078330207417 2.58967974065289 0.520378631914791 1.5991176641062 0.98043215964342 0.698696583437199 0.827804686176103 0.461234429594312 1.80649580091826 1.30659291892483 3.87208961226687 1.33372799967436 0.313807083375919 0.435107252347977 3.10733198916703 0.635074333989488 0.64187878876369 2.90097325958559 1.90973157821849 2.08357148261367 0.894461707409772 1.23927576071716 0.586065800435991 2.88807005946985 0.896381060086181 2.2440268001453 0.509060733928961 2.3465369577154 0.91463437835848 0.447251648904469 1.33348996100679 1.25770384715617 4.0751910171817 1.29009657379177 1.8490069407297 1.41634246065615 0.756194867833233 0.344194179379392 2.9918566883335 0.788438930914365 0.562081413648819 0.817363726181201 2.09173780173503 0.684902729347823 0.545155006090339 0.401478317464826 1.91980441893567 0.92262548686208 0.888920892848531 1.35078316048983 0.567600105657312 0.49733047155991 0.712323191027801 1.04633480182838 2.05128051972071 6.6956808370466 2.17834980799837 1.22989933796049 0.701050423049576 1.25301519332678 1.41354970959725 0.973214455583887 2.20156875446046 1.04801921299461 0.88517200505987 0.96551801948289 1.12909040469671 0.563704324118405 0.645311324048056 3.86406487748309 0.747676357672123 0.509104536583402 0.413723150410794 0.690549732162254 0.831953107267391 0.542251642267703 0.625335986269859 0.501535083935178 0.436792548416313 0.865042694314548 0.486192208702393 0.457843927160168 2.69102890665477 4.05955700915476 0.889180169166736 0.804381327326618 1.01403543236538 0.70032436086839 0.326168280949341 0.936628620300451 0.349314665438423 1.43045797666248 0.995513103851669 2.92884856095007 2.19666595432047 1.82058432741024 0.532593378189021 1.31810903498328 0.753386630987414 0.401682287401162 2.77895278029606 0.510669485964789 0.796114571815779 0.774490218955754 0.514183874694322 0.789214990064762 0.986071198338862 1.3640230658584 2.57882110686211 0.773621687534871 4.18277520345006 0.822840385339473 0.487824853095189 0.980371101397836 1.09517166437256 0.38207860850913 1.08930210867748 1.7929306940243 2.20877937930311 1.86601918379284 3.26388931290448 0.545881953173635 2.5736984085478 0.63828520129532 3.76178744916791 1.07777670114688 0.494243933000522 0.929727711196268 1.22267809429251 0.830999625243956 0.285283148764876 0.675440471086487 1.23525166837232 0.523800548373838 0.37039568840296 2.74390446242861 0.538477092317855 0.848503431429157 0.781127869682236 5.54346617041356 1.08894859028457 1.60529605063764 3.24649921664041 1.98981787387225 1.84626241683579 1.24589881055883 2.78579218870361 2.30789903443906 0.608010487859807 0.743806680745459 0.300587530755879 0.594640059430026 0.725240107126249 1 4.22594515288233 2.98708706596105 0.962016461833951 1.4014177016703 1.15322433994046 2.5092607218058 0.738671593801615 0.921149027691684 0.502145223939965 0.530573589123137 3.81321884469835 1.73016812697637 1.10215442692191 1.80905316801592 0.412369692633677 2.2327606689329 0.958356949158392 0.430774329166772 0.642067272913102 0.325522744860157 1.89763850598437 0.681578594571922 3.71079186792659 0.482228732152078 0.616790044143342 1.49903744772994 1.98014191175137 1.88576046496297 0.990546148308709 0.632936852942985 1.45104566670074 4.70937779435494 1.37202523563837 4.34441496245582 1.3703766630076 4.24302951546743 1.21356094785405 4.77778426705992 0.977476586596299 1.16008100393914 0.520468891930003 0.518692450944346 2.44104981246712 0.216452365498198 0.861941997321401 2.17101662421349 1.86497853891158 1.87091755942228 0.589908930299358 3.67625502347867 0.917661186025449 3.19997327595628 0.899138857511735 1.12125813612184 2.63114846577884 2.2922229935619 1.21197918533257 2.19686682709942 2.08005488162886 2.10372247346068 0.569584498638799 1.31533840647713 4.29032487853612 0.833460980462689 2.37612144750517 0.62950520256073 0.882048743062921 1.39264787930997 0.603674467521217 0.46003759949065 2.73409178293174 N-acetylisoleucine 1.11576247764915 1.31184863943546 1.79269560230816 0.839810600177612 0.967404593224456 0.813427635011091 1.46144901218196 0.651529813746222 0.979964875810903 1.39763210398672 0.568362742872617 0.508994102162806 0.295899390304609 1.04187822817979 0.826772437467395 1.05321991645063 1.58152037561378 1.2269373061101 0.613522414568972 1.71936887964987 1.33037047656595 0.591169571779586 0.649944844669048 0.859391738249127 1 1.8961088610922 1.12689708453301 1.21319427021732 1.10387520957035 1.41851546539551 0.466618082187417 0.926438319614191 0.768248051642912 3.47923013512061 0.420920795351819 1.39217556529573 1.79370774949091 1.1338465847584 2.25870748453811 1.79665251061704 0.6499519299919 0.873897607097707 0.786054398594993 1.08017471744676 0.665561434984368 1.16237821633775 1.2779809082582 1.42504485272409 0.776803760815752 1.77849188865926 1.1459132923035 0.500791073361645 0.572381320070553 1.64387315573926 0.88250478807561 0.888083937047215 1.62126889681224 0.98386058940643 1.70351781618332 0.752632495325476 0.768204149917865 1.17439950340275 0.641238767893777 1.53014784366271 1.05482251947403 0.806122680716735 1.2760581079342 0.652124542956419 0.671526658036775 1.00037093392077 0.999629066079228 1.35601329306051 1.49739967751459 0.965866509209002 0.833973005094664 1.11681390472297 0.94544243332652 1.05676045995806 0.642101757015572 1.60547013981938 0.762549300146103 0.656295657045095 0.675372258684774 0.908523153089728 0.520927486203529 0.864828651238844 0.532017653426597 1.59827856380442 0.788166450919386 0.687870460790771 0.814480049054119 0.80271614470965 0.912580715978168 0.758007252136655 0.460071612956949 0.814987244415173 1.62016366512994 0.911157540935208 3.25698907637454 1.25311319540648 1.15773775728809 1.1382220910075 0.623857864177624 1.05428504379291 1.12159819529292 0.77775002081772 0.886410949363735 1.0380775024792 0.574493372394946 1.12059894473085 1.07090893950749 0.846463637120644 1.00919764721913 0.459473576635705 0.737590746334189 2.19648142680868 0.609868356308526 1.10508028069857 0.639490079410139 0.444340986684229 0.620784411691232 0.503349760406968 1.74444166874844 2.16988773571337 0.972747711943315 0.655425097843284 0.714600413326369 0.612843397754714 1.05336149403099 1.88799309608703 0.909545113891854 0.719755637817092 0.755804358852073 0.532623259827856 0.647385672866562 0.916471737106261 0.644153248699839 0.63304794131674 1.66032293961347 0.894775887781134 1.3791323174286 1.20699626795055 1.97861452395552 0.796175595576045 0.554879295074149 1.4938947304673 2.38864033792837 0.601518558051159 0.656356217685221 1.11348306951604 0.868659111726811 2.03223340070705 0.701224081938546 1.04664683305703 1.1227866978554 0.889628233370427 8.9775017221932 0.863095102915238 1.14623880574418 0.881331425673169 0.751671095163476 0.926888167207927 1.12282454825548 0.844881490397354 1.03379283719029 1.15097767583403 1.46132067615955 1.09964496324726 2.02299033300782 0.615016010719233 1.65590958296429 0.815539860256323 2.06050764956586 0.696144558247981 1.1408186284529 1.07673790111962 2.77321554288829 0.546438655856592 0.758522017577726 0.78054338034353 2.82861338844352 1.33925313590565 1.31883663010318 0.506703305853943 0.892391312576174 2.46001862239684 1.13482312508043 1.23358995904587 1.07839574864306 3.43131287897713 1.2870650042771 0.56366815797243 1.61182143695259 1.84332962399413 0.746152506831997 0.980832557400132 1.63532653540148 1.30098638142605 1.51786917387717 0.541010908485303 0.969992202817584 0.880498716871437 1.92155883087684 0.664516763942195 0.740278124739779 1.4284589588112 2.04546590057457 1.51592366331312 0.637400737325794 1.13972096685062 0.493690338306876 0.396354249464417 2.16607998546545 2.15037963951279 0.702813798741853 0.659921725372637 0.510897130182666 1.21325672412357 0.856289600981082 1.16698839506734 0.448103316452055 3.15720785168699 0.660436490813708 0.552244907228669 1.76447967055012 0.732299260403183 1.50369041400768 1.09782814404348 1.2043770202651 0.671912732117579 1.38032839007108 0.691784192158911 1.58260092809181 0.775039932172083 1.64151129077434 1.61310835055527 1.87638816342289 1.20810906971287 0.707227155391033 0.819302190024149 1.7991809173423 2.2476930181152 0.690724380956707 1.32000999250562 0.887705433046427 1.65563706008373 0.618536097926555 1.00080242848167 1.7454787697106 1.17950173733336 1.47546915570898 1.08508769937698 2.00267980832557 0.909363431971476 1.47007925873777 10-nonadecenoate (19:1n9) 1.91032799716433 1.99814487144311 0.555366521927401 0.564446605392541 0.996707669007755 3.37991721223489 0.456861072925952 2.42271235659635 0.682519022213551 0.319613779435219 4.64706333538449 0.676764250555589 1.32775944876035 0.709662993999225 1.75033189059181 0.416126510685171 2.11542194322708 1.00553050211642 2.41115676698881 0.550346249931237 0.42060978736127 1.05967637448498 0.923411232749712 0.244416591159628 2.3139262801831 2.39541849123512 6.30197060792056 1.24515202104954 0.926156082214068 0.684133263972143 0.648719014577224 0.205925908260988 0.710278678161073 2.00330869455042 2.43464942429662 1.00329233099225 1.33147170980875 0.828222019517232 1.70293478992476 1.69385376626298 0.693996425699333 0.371771774510822 0.829662226684859 0.774870644558709 1.17729075361285 0.630295836253459 0.237164426332947 1.80299311643584 0.739406310781371 1.20282081133733 1.19688475791977 2.9016182713531 0.723312584654625 0.460815234166928 0.607453780233287 0.784165072986974 0.598482438187958 0.20933407973056 0.509981473982047 0.962551519822592 0.439683074671341 0.255874102554695 0.35870641602393 1.2162419819381 0.783889929341526 0.31510281711938 1.93124264344246 1.0925265270352 0.764265124346663 0.78382447787964 0.630244685110977 1.12261609493157 0.32833721271512 0.245371617977326 1.08493787003939 1.73253310518213 0.820544948046642 0.714450374213462 0.455749621024348 1.00469061935027 1.56493753269852 1.75336633300095 0.315503180228323 0.57281492322665 0.449527836224859 0.961253169990074 0.40721644534898 0.478506425140383 1.01522537131501 0.527142682284785 1.21128119197012 3.33267133243616 1.28215398744354 0.584099296101153 2.0918267968231 0.553498583454819 0.844929971862976 0.549329123661531 1.0830303816015 0.857300939840367 1.31924081162655 3.0095838953103 0.801767391142084 1.5837768743164 1.08117386096867 0.19257988051854 2.05568548959195 0.950709388656991 0.413664010191361 1.3275981107903 1.16948740848856 1.15689121048056 1.115420009204 0.930640036232976 1.04691387075752 1.96005636617563 0.820893014154177 1.01355003389565 1.14371731623614 0.666586334316855 1.79172822316308 0.375850344774055 3.63882572468874 1.05624038323573 1.88947741476534 0.572134053852482 2.75460007930719 0.304762036153728 0.703678016941708 1.73398435842981 0.304480979876219 1.27732144200663 1.50142321407975 0.718975691954986 2.41897974142043 0.672935584463335 1.01031733669201 0.79725284447447 0.520502108964813 1.30335906940122 1.81818477658123 0.798175031738574 0.724873702856184 1.06304541022884 1.276617151276 0.760853718984836 0.77673133611803 1.35424904771675 0.838005271363571 0.645278858405502 0.943871131755007 0.770862521702282 1.3257534154216 0.973831217592675 0.194941266594415 1.91516752606468 2.87934639473479 0.939280225048527 1.50572018505438 0.32007043640656 0.621904665499831 1.39025954369285 0.622719692037122 3.28889585469262 0.436530954267418 2.43392041262655 0.343272108792247 1.090845047812 0.965363915971965 2.1937698320966 0.49184151881859 1.73053211465584 1.18388347586405 1.17812603893597 0.843820826256413 0.209139375381757 0.709041049227268 0.722947559834977 1.80516960671532 1.40469855786091 2.15823422589403 1.18939950323349 1.0299150077475 0.624651518518604 0.489037143681703 0.72599746962265 1.04937755911836 1.2120056039835 2.53462248268258 1.15189063629065 1.02207788270204 2.60654176819645 0.467193726633215 0.581773798326858 1.65985122763544 0.717393123274322 0.832185774716022 1.18038402270231 1.27429825364912 2.96016767491176 0.513867906620473 0.319907907776415 1.50092196955091 0.605487761321436 1.35827380844479 1.00602361995673 4.29677099933726 1.12636928709402 1.63465392734324 1.08285831942509 1.38292682574687 0.574245551013651 4.19870834656705 1.16953649708497 0.422766759338389 2.2942549223063 0.71339366311138 2.32456596181599 1.07448080730987 1.18641655744148 0.663538303737822 0.562160406086903 1.00298040198519 0.822051890038152 1.55525653730278 0.357814891944701 0.911690692158147 0.998244108698103 1.42663236026153 4.50346401174515 1.01325490647053 0.666710728761923 1.35756924270802 0.346492293216408 0.549743787089878 0.993741203957183 1.51036384710584 0.216709561131677 2.91893600398521 0.967838558744142 1.3151683373328 0.666707841197428 0.602185991741703 0.840683464515465 1.48407683497447 0.803912301549552 1.76277640151209 0.832938054018494 1.18013500464039 1.43594365573319 1.03758685410138 0.679761741095055 0.212599502665142 1.11315602113688 0.834194969592227 2.63859066318854 2.17830316580884 1.92484292966885 0.497053481063272 2.53800941249773 0.403430619124308 1.69503620100648 1.13624700355026 0.925177314220804 0.743020441504486 2.17556318794362 1.76577882690584 0.434540184802753 1.6462897580677 4.44774506307254 1.06527662673066 0.32792415348927 1.39368607439251 0.989353205949419 2.58426232890923 1.31149233022765 0.7588053815677 1.72462961198765 1.30137137083847 0.996574729745162 0.390706497425748 1.4706358180971 0.159580747635824 0.801396041181162 1.46552968738287 1.30361395426084 0.896752037663741 1.0017558913019 0.363939920416431 0.896444305790422 10-heptadecenoate (17:1n7) 3.36340383239894 3.29355120756056 0.550900740268521 0.960571010004194 1.03823063619247 4.16383253321656 0.354358121818915 2.47219627755829 0.838792664673831 0.248726280353888 6.56660483437538 0.746907833871636 2.44683073715008 0.667998522729486 2.32144902123924 0.423603296297924 4.28628915922766 1.14256212819141 2.76708090460725 0.599966534756403 0.268150644832103 1.1520230354014 0.861118977178732 0.27263997773809 3.53780448764726 2.15856149545641 5.0379844799933 1.71981581926064 0.856235327707255 0.961769363807529 0.471189653697107 0.231150361082264 0.799343175549725 1.80146065693492 4.46981049805834 0.817862126148636 1.54349800073559 0.731058147410365 1.52883050138702 1.58924201753897 0.605268523489501 0.23153277259291 1.06803219374379 1.39237679072345 1.25764950945105 0.57293665396342 0.214871702935094 2.66523123501493 0.65152678327513 1.10612760996217 0.986823873191154 2.39820971784111 0.769440809101906 0.524454935508398 0.8148377704758 0.552567783120645 0.635482340907816 0.219406090418725 0.441883863387665 0.83703214805958 0.42132735003086 0.1829293317881 0.430188377929018 2.1683636911385 0.800116089570304 0.224798907363423 1.20086204740496 1.37277629495126 0.810825575814825 0.774271421217279 0.561211340177963 2.17022945079042 0.312857975509849 0.275438930837133 1.10971533132635 1.94429921324613 0.766568420071494 0.496909614519466 0.638179570644669 0.94442408925161 2.01811455452839 1.62974938905586 0.221125905893074 0.331327666710453 0.353606820691503 0.941839383702091 0.223158655994287 0.521165125105741 0.670063840065505 0.578610409069879 1.61770737377701 3.78765974087375 1.24287301187741 0.508421487135253 2.30316484241555 0.430143985844992 0.68193503232738 0.607038928857338 0.888747852831328 0.999220411931383 1.21067090214307 3.32035305438344 0.47645767550959 1.33592609092506 0.565580905350602 0.1679516572614 1.82568671838341 0.708462970847913 0.331257804476588 1.28796358684009 1.08979649153176 1.4404936925353 1.0699296432554 0.811395577181847 1.00077958806862 1.75178600939343 1.50935104905262 0.925925117233865 1.32672694295523 0.806304459965589 1.58166752786288 0.445384092706615 4.43595446506619 0.93448610983298 2.79908125249363 0.538965715689091 3.0359415788786 0.176198138405802 0.850833421409389 2.35939264007717 0.294445050111808 1.16249959977043 1.52880356391126 0.937020137887463 2.86730380439941 0.653014148044074 0.903968249344839 0.681928987820626 0.474126379335636 1.08171691323509 1.74510238365124 0.702646206215707 0.495108614311281 1.14423211484107 1.93090565939721 0.737002591297566 0.636319461292534 1.30280455915244 1.02581313179605 0.65294967330536 0.832814111663152 0.731175292579312 1.50606189566156 1.17836465606954 0.152459761652835 3.09499713258236 3.59589231089246 1.14687139615448 1.39991466295283 0.310386823465844 0.708647919614367 1.37738356692213 0.480893314149179 3.00385906715653 0.34332437008903 2.66882782603577 0.307209515350134 1.23860020261362 1.25619681299439 1.40586874301022 0.42854008911793 3.68936167249224 1.11418811302194 1.15380722675095 1.18983618817285 0.11370047900964 0.761911280919897 0.443142303413477 1.94665374573047 0.989156417687155 2.58876371309144 1.52564907599859 1.39618942905998 0.80081589452984 0.474145892580267 0.865776427623799 1.27028754375643 1.22411379756342 2.42530205122965 1.37818036869476 0.851462991828484 3.21374968041861 0.340583821387103 0.459538794498465 2.16296673502069 0.655121666065793 0.827052229400244 1.17874386126683 1.48317415183197 2.42880335366755 0.538234834080699 0.221921875451011 2.10752916901567 0.421335168468944 1.33385917622046 1.14540842841642 6.13870839928452 1.53625569612635 2.44732448887673 1.09828374552854 1.78715007507234 0.490761278031236 6.29276684537236 1.2141734967038 0.40054657671331 2.07991448950177 1.07084735706351 3.44020679746833 1.27397795603427 0.925017696607547 0.494243789937272 0.433872658098564 0.918758040453256 0.622486782788066 2.03928261428596 0.430246326352468 1.19511871476967 1.27381357173102 1.63464491391768 5.20038028269633 0.833148552469845 0.757523253721193 0.753557444079443 0.279598537001601 0.547743697320536 1.43297701988034 2.41543741620638 0.164987155204143 2.88694720302933 1.3153016863692 1.06948015971689 1.05559892805491 0.85896803537806 0.815258060798715 3.52102726217089 0.765297146419022 1.69252908163312 0.784551900784941 0.879877363966076 1.53003589867602 1.49595543656735 0.312056399452893 0.11995755091829 1.39168561451631 1.09125840805125 1.27273241533628 1.90170815132834 2.00495702114793 1.02198864535026 3.54782207880486 0.20085374715837 1.36019721648712 1.10142544361533 0.857750614776708 0.475863452314777 3.03146075974106 1.91524134204344 0.319151183056704 1.66112508769462 6.85126803458527 1.35644281127907 0.409094801386925 1.61100346827666 0.897678742963351 3.50485831610466 1.65965773987921 0.648573384713977 1.04570045693405 1.78745490655609 1.15931116625823 0.441369839409282 1.23490830110947 0.143090162972604 0.585359779773215 1.55770839521105 0.93915947717119 0.714939418931054 0.678257147070777 0.230653603465552 0.826927178191665 hyocholate (gamma-muricholate) 0.280539742778832 0.281298756061564 1.33935087001277 6.17739331026528 0.628485322022547 4.70803041014002 0.255157445647456 1.31618856271161 3.37323113938808 4.45715667671243 1.07943098808151 4.92555220696754 0.476764519849686 3.33445449020848 0.44357381156131 0.276967915565973 1.2480931651598 1 1.06270541107018 0.420805893514901 0.230568887896715 1.25911125993725 0.402785529138917 0.441924321910928 0.267517456065285 1.9052523223078 1.25515000434076 0.234743460951743 2.08425791569 0.665642246778534 0.883776711190485 0.887110726643599 1.10611693007887 0.903796097135197 1.09321129087565 0.530810654945603 1.26779591009695 0.586146700333552 0.302440849153652 1.17439758097198 1.36048115589638 1.15624707752735 1.29984179681412 1.38792512235419 2.41127373047788 1.14838367779544 0.853525670999719 2.03699460706381 0.434376850899342 1.71307942890988 1.70313912528445 1.04395788522086 0.929599582281243 0.823209888088781 0.537353097041678 1.97197933227345 1.46701112877584 4.95430811434272 0.396143115433773 1.62085398547336 1.45671623180274 2.13198276130802 0.769744225194052 3.15981639078525 10.666553664391 1.05620499392126 0.917995417562892 1.48826724648524 3.64171264690296 0.626184575579039 0.72306259546744 1.03455141993204 0.920352878830388 1.08089793946195 0.663677951307709 1.49103385392313 1.78338243087378 0.513190093207394 4.40639514947473 1.5310834190592 0.364210230992238 0.534185136693787 0.772814769787088 0.57732083294367 0.304548926088718 1.13688082546214 0.861237102154057 1.91014760435176 0.448474858941987 0.782801832974843 0.371719037376477 0.104616727454098 0.810810810810811 0.650483961470121 0.801875837775492 4.56379562953957 1.5949920508744 0.224695283518813 1.87521821129088 3.70279232519717 1.667114779139 0.920080114716793 2.00662037469996 12.7261565198416 2.25748542660307 1.95409769631223 1.60010053305901 1.71780993796565 3.81309423610462 0.855302534368278 1.2440771221048 2.02343823061816 0.184361264378565 0.182646747093114 4.45977898313538 0.438331930546463 1.00485520122198 0.442099971944263 1.45092194270395 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2.96624349262758 0.537029676735559 15.791853704916 0.135762492596403 0.263618722528757 epiandrosterone sulfate 0.453545507092445 1.50959417866412 0.0222423013218522 0.0308640497436546 0.76756352044933 0.905891139427064 1.6935611903479 0.207632123809414 5.19643992588698 2.40101779477384 2.35185588817006 1.09410886057294 0.295477942856859 1.76322761645921 22.1402945554167 0.775895172175343 0.888638314715427 0.295671340654051 0.213670674644274 1.16675274216001 0.435040571562004 1.16968200365093 4.6167558359029 0.0799127782153239 0.501829972243374 6.17143346633837 0.591388076932524 1.13943172762377 3.26235437254697 0.345033796420524 3.46962550786355 4.15830604672827 0.0358480831875306 0.203768219587707 1.36819440319344 0.70724437320049 0.252424806427258 0.0895468859667533 0.0407739402978255 0.338053747152795 0.191479345776467 9.36948763328798 1.57721099043679 0.46311026619606 2.97182575504394 1.09223960992695 0.509505559986164 0.940894496546162 0.469869704677041 0.489160298367417 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0.0387002316839772 2.61358725959867 0.644750174187225 0.00921583038991133 0.0134550549436385 0.63345082101618 2.4122373228038 3.98779426129384 0.171991832196217 1.76797797016908 5.97498138987209 3.25465715205098 0.00284208803523614 4.54798197695214 3.05656761064901 0.633881226569601 2.15575753985152 0.147270004968177 1.28250184866319 3.65688247468396 2.07706418380639 7.63070091170579 0.368872903657068 0.85877842911985 1.51881255877844 1.14085313825731 0.64533023040855 0.0129181252837858 0.32864491639978 0.036546316192565 2.00893260999531 1.52180817437333 0.127784623535011 4.19107885528354 0.866949068900383 0.1198130725107 1.62101161535954 3.51035842514791 1.41283360330989 0.0189639020028942 1.37802640165487 5.25729808718285 1.93233933842474 7.45917200861221 0.0782645956346221 1.60164161886959 0.0304918197749464 1.180167921237 1.54532220647759 0.0669570917287033 0.493430436019438 0.0634369313568198 0.0578150149040355 0.233097199090157 2.5104564611108 0.351507815933957 1.27415503304185 0.045808995665721 1.72830648668494 0.0185806675043884 1.15803977428507 0.103814481070596 2.0018309293903 1.1706658756749 3.42045881867117 0.125105342900435 0.0715061853459248 0.998005511206715 3.1387227575718 2.03600131077754 3.71745464326096 0.0653540697643583 2.25221020926075 0.00216313358442493 2.24287565512552 1.26263820785541 0.00784086581092992 0.707717384162339 fibrinopeptide A* 1 0.358659057806643 0.424930159260763 2.40499271746138 1.66992192163511 1.00832119576896 0.537952770946253 0.831271937155273 52.1247701821829 5.91257320105891 2.24346872743803 2.14882209802925 0.745768377142552 0.689266518704709 0.26738775837634 12.3692542182528 0.842540845522368 0.338596678877985 1 0.566449180415541 2.91673128860604 1.93371126026152 0.48808727972832 0.956440356178303 0.786921410808354 3.83669813086611 70.5836698130866 2.78474209161163 1.06227772281199 15.4824451159184 0.802577746878092 0.994772307939139 0.783164424953873 0.601960050271412 4.10276225365671 3.37125972671605 0.857943150520095 4.36485546969008 1.15306040591491 0.517234002727492 2.16425114313982 0.860309650506725 fibrinopeptide A, des-ala(1)* 3.48850267379679 0.98442513368984 0.668506493506493 0.398529411764706 1.01557486631016 1.98403361344538 2.41159281894576 0.336182200152788 0.421495416348358 0.557687165775401 1.31946142093201 294.328409090909 54.5620589382602 2.83416078584347 0.807670484768963 4.12709670555694 0.416149508847832 0.433490549310259 0.329213801907869 2.40317032518884 0.821997233944466 0.678055959431186 3.42038724777474 66.3493386290294 0.455672186956984 1.7052732366396 1.11964963296571 0.917940352494769 0.788893223163942 0.667878293556509 0.727313025284585 0.568956345969715 0.604542714280648 0.580428383985248 1.0009220185113 0.558016241710699 1.24006170431576 2.05588850668463 1.96886414411859 1.86687471186922 8.63413596226817 2.41286925068265 1.44093762190149 2.31437285010107 1.04124259725522 1.97709138621937 1.7005390262066 8.3932408950672 125.87676867974 1.21123089471258 4.78497464449094 0.757136777899926 0.579665945600908 0.543210752154332 0.935121812830242 0.977002730593284 0.712879889357779 46.5763856874357 1 12.3125465442037 0.756817617646016 0.610819532607539 0.962392283414306 0.469626582502926 1.09505656228944 0.655076421149686 4.47040675201248 0.961718500656051 0.913117486435689 5.04218234689173 0.692169935104082 2.48728678321926 7.32678463775311 0.61094365048406 2.06023263236285 0.547111599702117 0.678552430937267 1.40480158870882 0.699829781197915 fibrinopeptide A, phosphono-ser(3)* 1 salicyluric glucuronide* 3.7768902252833 18.3017447580919 3.34242679989143 90.5251514046278 0.957551570876026 0.148119953179073 0.356829324150098 0.644843760602565 0.220758125805795 1.15229948429124 0.183581291986157 84.2984452398724 0.306515912329511 0.494893804709235 106.632992213476 1 43.571384949447 2.25256370021036 0.161441015810545 0.0768363643375324 0.177618180982173 0.119838504655154 6.18107413389815 0.396930283195318 1.05756312305417 5.42338093055611 3.96320374251519 23.6953273440038 14.6826649105086 1.30609211820249 0.150379932334518 5.2912834341196 0.536912691950003 0.854326393245911 0.683809973019835 0.502691341873839 4.98884009024042 0.0712682753905004 18.1218201154259 0.0705489032170027 0.156131943239311 2.00098783890216 0.0639336457040132 0.0805444683246341 2.26309294436806 0.105228574945973 0.0528478980241739 8.46828013687354 71.5679450725973 0.132297734051816 0.408490668185506 0.112656648852935 1.00586918699079 3.18888488413658 4.57338115304235 2.64459899821863 2.15378100531149 0.277186706002234 0.255859175110019 0.0609508468567886 0.450052580914537 15.1830216301122 0.0512237484778233 15.0076431439382 5.22063515371574 0.60085375386199 10.0695966621131 0.0612029979279115 22.0053129713927 6.13776792905359 5.0971434250125 2.77994924347263 3.30361362149751 0.117054460181638 13.2828452726866 6.94940959568317 1.53434668399093 19.5935517554906 1.09361924298316 0.0689188207042728 0.277492253770771 3.21686623682325 0.372903252600493 86.9806896776768 12.4503966929645 0.604428366105556 6.48938073180174 0.0474118175790827 0.105461443876363 0.0518259445653286 85.2648135046181 9.61500387867677 0.0731386430415946 3.44221216584421 0.0610220424533409 16.018227555959 0.950329205471975 0.145236050483611 0.19808246526619 0.105663164733261 0.0929117367424158 77.7789258067722 151.582946578088 3.13642856189345 0.117370390641339 124.641089648605 11.8022779624414 0.41111155608359 0.0962742454379197 6.16547191556202 66.4864394637192 0.26637239153425 17.2540778019546 33.9691619240017 0.144662035986408 0.993352111171924 0.852068899538564 0.052343595881928 111.421476448348 16.929967264858 4.49084469125585 28.3628987880433 0.0459137435682936 0.153463591610192 0.464996239982557 0.351230126416681 0.215426009234662 0.0304717153244072 0.103407154267509 6.20068258778195 0.0469579456510615 0.0515307794879553 0.994130813009215 0.283146370730304 33.9500740879177 6.31688121756336 0.0752329801735096 0.0731297435920255 38.3667611491563 18.7539850993549 0.15306756610437 19.917783918398 0.0598028178623819 0.127653704618369 65.3371719625808 3.3110060976062 0.0814136478992108 0.159605695054428 0.942429460737853 19.9825363134624 77.8382124565596 25.1005875119957 72.1209954330991 0.498541231891474 2.83314866975478 0.204264616233486 3.59357400411451 4.52475604383869 31.4826764797931 eicosenoate (20:1) 1.32672945609163 1.96774123461217 0.690572167499322 0.481306466640583 1.25778740131339 2.10750100438751 0.375924280554115 1.88695551800623 0.976900077661178 0.244856115437303 2.95291462202137 0.751961850307624 1.21294806126976 0.499079409897245 1.7462643980409 0.314114488935197 1.27448085124932 1.0854194596651 2.41675769382237 0.571376193358314 0.545835755944101 0.81691966555469 0.810736684738124 0.691459435143393 1.45208844223667 4.91958573513 6.56902557771783 0.844981949187933 1.12501183907934 0.51943241920167 0.794579886694412 0.281479219940535 0.586916639285129 1.49610342037357 1.94375008268958 1.02309992233882 1.09403576436347 1.29995927179088 1.81673815541198 2.40954376892839 1.0024601705958 0.524586755709172 0.986024698980899 0.822031804065235 1.37041613899179 0.639414610173799 0.311655499393827 1.54219866316236 0.811094625555462 1.32297374033414 1.04006382309135 2.56320339471191 1.79951984540404 0.554233810133494 0.537780015009546 0.838874245152355 0.615967890354703 0.297924777386761 0.430420387181898 1.09745382992551 0.522999488040956 0.322625260874279 0.588658752315864 0.965802866331292 0.763953642066679 0.311096818930926 1.94702409321598 0.895022811558623 0.723987930928822 0.840966826189436 0.594724993525509 0.93076477738313 0.358751274136849 1.13878271130836 0.925149383239459 1.86908634334954 1.07698997972302 0.83223744395661 0.652426419337548 1.94636190560017 1.4948356899077 2.0362612764584 0.765188628424236 1.06185683865578 0.675533160917551 2.48502512988085 0.488563745375268 0.627076646290394 0.959606565520023 0.570858466684931 1.02075341610161 3.73930764505102 1.84074523980295 0.79748492745156 2.29537566163423 0.665600376933842 0.680854178862801 0.530115423282791 1.00995318489664 0.896539316396367 1.51902908515701 2.71820481163246 0.927161429580208 1.69556536491329 1.12491788582122 0.188876885774724 1.76957781979669 1.88517346660289 0.528061647343567 1.4063249526188 1.55152057947386 1.5052291835836 1.12455794030205 1.10025920252357 0.774005100268571 2.37401576561979 0.899567253575956 0.95232191684598 1.02723260688301 0.67723835655207 1.64121594120277 0.355497283143968 2.74126818992744 0.650866591552717 2.23480681338859 0.46460061925393 2.21903182511155 0.333378266436508 0.594648633805922 1.55731195796335 0.311239201773086 1.09661568821734 1.30350968613261 0.533441286399482 2.14566409151614 0.644209520542343 1.0523039170489 0.732607009065922 0.582460061481676 1.08332501279293 1.84897858639301 0.724908674652725 0.838140619045584 1.14081594515186 0.918907147599516 0.870744807481082 0.742860540176038 1.46196274994988 1.01537889996402 0.643708049362222 1.02138499730578 0.841475285917585 1.13124199739399 0.973579829473176 0.251388419274036 1.39201737790707 2.15825083964178 0.721326242071465 1.16530710498652 0.403845369389589 0.604036341296846 1.39425407631771 0.77535586659715 3.91162491920185 0.342907963474682 2.58406837546986 0.243199757036522 1.01047961517686 0.72740525023898 1.96874696110351 0.421750483240953 1.14154470045243 1.65752761568117 1.26949013015833 0.863215156246639 0.255005280286711 0.62435924065402 0.787156458534227 2.04834834844223 2.15578657474511 1.92489413484241 0.896105975996163 0.892622411704763 0.659021097639909 0.835789451646957 0.867567559418214 1.07164308498955 1.69333992078778 2.12055900841035 0.83285570355624 1.1558437739434 2.66902739751847 0.41858226079206 0.607013422419135 1.35889416120325 0.83094404826257 1.1204049376502 1.0547823103089 1.44229534211055 3.40583803335038 0.658111093892413 0.433198229136217 1.7418415130624 0.615008170096701 1.27676464392506 1.42397692573046 3.2164287977028 1.28136439934201 0.963352175151287 1.24781700903476 0.686688285314764 0.442823406077328 4.07445974212621 0.905449896653695 0.405472148069604 2.70509826881766 0.959232199187455 2.2707398600328 1.00499915144102 1.28032428557047 1.00210779852478 0.504815800378993 0.91516722561773 1.02621870268769 2.26801200687008 0.272723851336581 0.810204377313866 0.723510077612314 1.43837629950815 4.66221670954976 4.56146294371822 0.687921748915104 1.48575097076529 0.325906913609213 0.578664331960509 0.647209372431513 0.743855939341581 0.336371744931228 3.68886452723849 0.70285329104492 1.0852887241976 0.480810037055541 0.609192699772814 0.702519746707186 1.26374355703521 0.591737898509724 1.98917792580076 1.18443076748507 1.08468299961269 1.47961945268495 1.14689191788942 0.824673555895965 0.217112485440399 1.14480736410231 0.617632879147967 4.72508718011976 3.80825333202222 2.21359100348581 0.723688451981046 4.23019350442395 0.615062152344317 2.63117258084225 1.21235433301928 1.24815744107567 1.39072991189014 2.04068799219913 1.86784591137015 0.356298697158169 1.71738525562994 4.63470547843373 1.66699972022614 0.235016258055272 2.59905499905614 0.936266579889002 2.62961135131402 1.49001155470194 0.793135942920363 2.1690134557181 1.0765354316511 0.878643550862496 0.640158028315398 2.04485884438923 0.170707427320941 0.966731990262139 1.60623489010115 1.46243410885812 0.997892201475221 0.843591262959609 0.324233534524521 0.785649967589978 linolenate [alpha or gamma; (18:3n3 or 6)] 1.48873881882612 2.50747087119882 0.354097991553476 0.67197635145867 2.48723898146447 2.93975690041727 0.378887147322501 1.54803498836458 1.11112083255312 0.126767940861818 2.18546383742393 1.24429805781157 2.02676324867167 1.01560370736854 2.78263232497561 0.229487999851014 3.20133127982723 0.622468211806094 3.23142093969995 0.939286796312729 0.512394038343268 0.408705821696096 0.291997238130808 0.514255232543731 3.41310113321121 8.53002740530033 3.69545690268213 0.669788277711117 0.393974728324616 0.696415144905744 0.536144665726677 0.589440828669393 0.984396292631457 0.951804495084209 1.47893809941517 1.09719335494699 1.39784030850434 2.74519228846021 1.87238615850034 1.79744972824605 0.396808565890369 0.95291427683288 1.64902241099467 1.3508988603555 2.80954069152528 0.306082491996528 0.346305502510997 2.72956411299945 0.410820184386324 0.810362764220772 0.590507169713793 1.23918352878197 6.56511726269399 0.962067672537293 0.398485180014413 0.404099695871909 1.54211978297563 0.383072125814275 1.04278705133779 0.97769293677838 0.155285511606272 0.0811216209019223 1.72955572014398 1.22825297130296 1.01562516578673 0.41798808889163 3.74336549811506 0.733811712765853 2.0512742488032 1.21747777783246 0.219951870753019 2.135472447262 0.631549550730265 0.386509712786868 1.74540316709528 0.997007188926783 2.06717760268382 0.954924857232129 0.256697645967021 1.90177704166028 1.64069840693137 1.45928854907776 1.14963544463694 1.37010255280233 0.991330549883183 4.25810962386107 0.53913365165203 0.322946027318658 1.20988997305769 1.31324361829786 1.15379588654566 1.13262100453144 2.01044006391917 0.688067339364711 0.571620869886767 0.189731586863872 0.331949342226955 1.50062687783988 0.499951440037917 0.772635923123607 1.27341880568267 1.32408640295812 0.144653019398976 0.660261919768188 0.680993660225405 0.0950524492652304 1.80842224848773 4.76112810501515 0.294170644461349 0.899352266800372 0.574609186897148 0.949315651851311 1.2261513433415 0.950050215282802 0.667896682728344 0.488952521910461 0.969328966303885 0.953340393359125 2.28552559133479 0.682654894263827 0.944938707291565 0.674011480023686 1.43771989203701 1.29983250474826 1.56382218950629 0.193263353761992 3.54691511918112 0.663178083365266 0.935939830402854 1.49878507547694 0.240582315306548 0.971610384043086 2.07252972404135 0.32987117063795 5.20185569442452 0.299992556698961 0.612207198193004 0.762639297639202 0.302819075329774 0.852720768121767 1.73816004043003 1.24425231363996 0.462349869238297 0.575396491571632 1.46342590722591 1.48238108572278 0.745261497330826 1.63911955344217 0.660303691680861 0.536008455817789 0.531054296069075 0.460976667215027 0.817469451320081 0.888755793741795 0.284298132057096 2.77657872939884 2.44146477627087 1.23256073728574 2.07853058995199 0.66103642537595 0.85611505941114 0.556371210541502 0.450147790369045 2.63068474884279 0.136481946764162 2.62101240475398 0.328543718083473 0.856563275154365 0.779042445229919 0.697307941396639 0.552735624278728 3.06905013340967 0.823868821095853 1.85649905716243 0.869677365533774 0.0744077788141084 0.152857169669186 0.218672291252133 1.49416732973027 2.05480135350873 8.30763471736822 1.66407877262409 0.391783010069577 0.506088051789938 2.4330714633679 1.90820565389548 1.31311240741574 1.88294743639745 0.925362948247116 1.72803420950306 1.48656068836453 3.6897288869424 0.590187480835386 0.666798268336863 2.76457951800917 1.16274182528266 1.33161384460779 1.46868032247717 1.0389152897283 3.70691866971796 0.338194744531439 0.686865108637941 1.18862486443914 0.729665887542792 1.44463164556342 1.6603626870477 3.65090199559671 0.684067571941172 1.54031898609604 1.51435115198651 1.26358634754119 0.245692587316903 1.50791076460993 1.73806356121654 0.137616301540874 2.0837549266391 0.398952986660478 2.79034778058814 0.676076582932491 1.38440550229182 1.21056059265477 0.317265307720532 1.4480052462905 1.58654078740619 5.61435761559094 0.316025927891933 0.305084634343698 0.968330284663801 0.673570719547491 2.89277494607136 3.36140023862035 0.530263737856683 0.966363433146954 0.359540397904081 0.330938434070115 0.639236670204071 0.721616401497799 0.358279709522742 3.37580625922136 1.06987771651993 1.26231361137562 0.540431722396295 0.396758345078976 0.60447719200024 1.95001207406397 0.851883615247773 1.93869108294792 3.16263225921278 0.565031268112431 1.12340903605659 1.94797277831479 0.341373196600707 0.0835313473916677 1.91904282514257 1.10745547348203 6.15091023016786 6.80202202291637 1.09774017905761 1.86264456918854 11.78870531498 0.879905788932602 1.11404237003351 0.997742797489166 3.79927704721538 2.44641800903392 1.4552970699966 2.95988427595832 0.259619604739161 1.50425674769108 1.75135974066165 2.03580669026969 0.138358795849686 6.86597237349167 0.275320554633031 4.3930150770113 4.52818577832322 0.815142902102527 1.18626480438701 1.33214893647776 0.391208906038366 0.925062913888211 3.25517780905022 0.374785001239321 1.00225720251083 0.636173909580519 1.61021116631871 1.82673332644789 1.56728593201547 0.618710744798489 0.373415476865045 aconitate [cis or trans] 1.1585408873362 1.64527579101211 0.771193002623217 0.815453353274103 0.69405443291791 1.39370877703577 3.17559428131032 2.07505033894963 0.611320198606024 0.92436888685015 1.92220749696116 0.943723051475859 0.759596397038821 0.491865545285714 1.73341656936642 0.901916012474053 2.06804367011622 1.40614440015187 1.00309307565621 0.789742206555142 1.12562322962255 1.28807951809154 1.05052045996072 0.325464676121574 0.869826104103765 1.19298866411843 1.19139017910113 0.816333743557056 1.00371883851887 0.917546209032462 1.17459355686672 0.499564703156817 0.692864587910159 0.847142610275831 0.996906924343786 1.07530917091782 1.34326151733948 0.901890008527845 1.02091363056517 1.30559539775468 1.36083043186869 0.411202327565591 0.705578052450814 0.655935226150548 0.824461432512235 0.715842789217202 0.656715345095471 2.50793476822613 1.09259102638134 1.59899042566509 1.19071969579716 0.955858090440492 0.568857446051436 0.545855873221674 0.829692778257027 1.00681918082107 1.04430712541515 0.545744487619409 0.499103458703959 1.09841209147114 0.790155558939038 0.805717801245063 0.331156321062099 0.825235203054956 1.22905921821053 0.322047990352947 4.09231379532982 0.745202155686537 1.23413463460538 0.916512005248292 1.07547919681065 0.836425180092628 0.575650026542617 0.472213305894245 0.629964594803523 1.59670720445014 1.2751224900595 1.11105296697561 0.966453363850435 0.814161438503867 0.799472967191772 0.571496964781688 0.582752262156062 1.67907882480477 0.554225165968745 0.605674348792969 0.867235707359435 1.1705578524646 0.669383502989573 0.584440202615815 0.655859989714539 1.87026908935686 1.50728733613384 0.665725616600369 1.27440181524429 0.798199928918882 1.25013822202975 0.524685158600401 1.06077535292132 1.33493215132031 1.49700323936404 1.51625720871563 1.37344853707105 1.94274150449997 0.875788736507415 0.971175683164153 1.00517914194156 0.733944654734539 0.867377470853226 1.45763354441159 1.02079033515052 0.809812625597366 1.02053634659632 0.849142079025121 0.56601152555043 1.91498356183559 1.7639261121535 0.655038842252908 0.689620005630666 0.649476225338687 0.669981511983737 1.35018143313763 1.28610470120694 1.64400500442972 1.19752570761862 0.803875767750054 1.26434563136014 0.710204726002436 1.13707417567571 0.964378852916125 2.00485642275196 0.804602948365874 0.559104778751887 1.02998476278539 1.28772480295556 0.645246720420669 1.30084186109129 0.718635666456837 0.772039894828487 0.944112706909381 1.51864216176421 0.640048166009563 1.22141164960136 1.1614506760104 0.946211667062087 0.782774780620731 1.52403798883878 0.980609146505068 1.32364038998287 1.93961431305514 1.2693750874217 0.649626121083233 1.14079790706296 0.832304070207242 0.573358253347838 1.95038582020884 4.0725706842119 1.00907637883361 0.805120316912238 0.548802423767494 0.739828154523677 0.822284822481361 0.892202136903661 1.31024751738124 1.61935762144572 1.7340990625666 1.16905637664472 0.954376814082162 1.49641425454491 0.735412289898055 2.90817665808985 1.0267215791215 0.962116985417668 0.777367830725784 1.44386873938676 1.38633379982722 2.05301010277381 1.64364597867546 0.831770542091638 1.17683799622601 0.956790151309182 0.849231743647951 1.27233464956872 0.939418824240235 1.08342005110831 1.93031133298923 1.12984560161184 0.612127735728503 1.0441318360618 1.55634721122037 0.586507945418851 0.768917110538904 1.56559504937955 0.64101396260235 0.823997946685384 0.606626661589344 1.73281605572827 1.44072832647619 1.867852289365 0.720326649952356 1.13553382245062 0.620597606054256 1.1718528740476 0.973937238121851 3.18406719988348 1.22437483191162 1.53535257294445 0.805422154580551 0.980796922798288 0.780036992821689 2.04918343283186 0.694493742206812 0.537832752026059 1.15561917015995 0.992635433717067 1.82562140626658 0.911607995712887 1.14144869698783 0.765908492556682 0.625108906577438 1.30966661234673 1.0864252063257 0.652187412807844 1.46925668185072 1.22380431517162 0.898624201557258 1.23744923508049 2.07907868839282 0.495707798051974 0.850569210333268 1.00560054992903 0.535146958165709 0.657013405202143 1.10270576247091 1.3412550025147 0.64848309389014 1.21806074256159 1.22041379620076 1.14939642434903 1.00314219675913 1.19323266621245 0.899332546831009 1.34490391719501 1.02717231567782 1.73050817543038 0.510524758925985 0.734673933995715 1.4270539730662 1.83378707794799 0.881193325426337 0.89629785318024 1.19177447495304 1.36424010097842 1.74565016400389 0.996857803240875 1.11096498126907 0.514196443908404 0.863064754646847 0.994986598575418 1.33020238181557 0.624530729781887 0.816726612722387 3.22051007155646 1.42580375756155 2.4736655160144 0.597641941091655 0.847056497736559 2.08224900699972 0.438891592060699 0.824839923202172 1.12404006649768 1.6719861380277 1.34232205874591 0.728897674984263 0.786679467703789 1.01157691477517 1.5190899077509 0.80250010571926 0.891736919694391 1.96585042303968 1.11622628517631 0.908769210606092 1.80836115000309 1.12462411950022 0.885491036318422 0.747642775303183 0.562598498608126 2.12735429970985 1,3,7-trimethylurate 5.28213283103617 0.733584481915491 2.92574937061924 0.13083150707261 3.46701682574756 0.245876876822488 0.464118957491895 0.473544273993444 0.439135710792748 0.63368047380146 0.89974100302465 3.8927209171753 1.04756126274609 2.20740767572854 1.18844475033054 1.63253219350515 1 0.603020448318975 6.72852516584796 1.99200650410948 1.92220347204668 0.201501000894998 0.424755241888651 0.101623294550076 0.164324412956295 0.42138021029043 3.25519064829301 2.27618553108923 1.57420287082647 0.383551161789723 0.28517650595413 5.30543694361511 0.281012372838511 0.722058632633959 2.54022026522009 0.146943683430235 0.892221030409445 9.37613838995962 0.11266046772199 2.4466895312532 0.610446884244615 0.506808135602484 1 0.255856772950557 4.3180113275352 3.92614556360978 0.167921486107031 0.243050099406295 8.28397064952278 2.57405256577554 0.0785856294707213 0.499808702662449 1.20226960626909 1.11792114450464 10.5885672512622 2.08448510271984 3.21627530419693 0.151223961357938 0.129033470202024 0.128674787694116 6.44250148597039 2.88775628719196 2.35020735264981 1.89138752058154 1.85504102644686 2.3985167624292 0.273039373091297 0.175405994438713 0.0617309676229256 2.21598494216672 19.1635455595106 0.921428034624818 1.97378884873163 0.262705900839659 0.275861008820174 0.744450669199079 0.267361941394694 6.42782624736112 2.29108281125102 3.56326476234722 2.09476050256543 1.19666049505018 3.62794034255888 5.23287718027725 0.482144443153947 10.3669663658288 0.303968053344629 8.43288196271068 1.24387336116254 0.073519666049505 1.96820364967992 3.23589011334367 2.71836932683833 8.240952660741 0.458143459339068 6.91387178979155 1.69761014969017 2.83660816156427 0.427570045569759 0.326735852537081 1.85500003416024 0.241813498759983 0.912932383223223 1.57149737990968 0.417499607157253 0.70825789613921 3.43994630010453 1.07652235104428 1.9380162466096 1.03002684994774 0.390301224986165 1.63988617808416 7.12121077550574 0.312870211588519 12.8408713593725 1.78105336512513 0.439509049047271 0.258251405693829 5.79157471869043 0.419767847016786 0.996136476986247 0.113948308726575 1.25281309566917 0.264188455205679 0.397959950535974 0.390738476043425 0.292046129986541 8.99142578004905 2.07428827142359 3.26213884087478 2.46061666063169 0.22990182347355 0.248792435556709 0.302304449712712 6.2047906318961 0.984808941784121 0.537808552357398 32.9073847604343 0.612359857620124 0.316706406411194 0.0825448011532497 0.16423559633529 1.93553279724532 4.53530460684981 3.99509800572526 1.55970526545922 5.77375673810711 8.02001789996516 0.90981696944025 46.5457029835553 1.17382437538003 5.38436075945043 0.771929165328724 0.719489782672561 4.71067302502579 0.151937910349869 0.527977235616831 0.800808231251153 0.297340967008041 3.49104660139784 0.243528342750173 1.12469170384439 0.126078609541638 2.20328758138677 3.64797190661957 18.7764212367373 1.14204168915549 0.0801023440755898 0.0974899056494203 0.133013138027861 0.283178131981499 0.897785733317847 0.170343447041382 3.80323360820939 0.344697306123564 0.738882550266792 1.04861001988126 3.60793610668926 0.459243419029986 0.275078739350546 0.336874611427283 0.669400624449166 3.79240822851833 0.234281166093913 3,7-dimethylurate 0.573404656710605 0.722003140175996 4.49674419736858 0.0753398814522705 0.539185258212534 1.277996859824 4.94622752887623 1.3476284368496 0.754870146700534 3.67937898501892 4.31088590534446 0.272075060909232 0.785205536260432 0.903561246176974 4.54215437250531 1.10252967705148 5.39354102949562 0.796796433570059 1.36630553107667 0.547566222590845 0.161344668498263 0.702037219428749 4.58201233735939 11.7717795863356 2.87757503499041 0.930801928360375 1.02913275620756 5.89511689388834 9.63352340469649 0.95716137058732 0.93676844124203 1.04125758125551 0.367456326784511 1.55013736975792 0.623259551085999 1.44467368202789 0.415089938313203 0.515318023948992 1.76654398424136 1.97643460681147 0.810839251464414 0.613322274635841 0.956409724742108 0.57394639987559 3.39549012492872 1.34002384531647 5.1010523041833 1.67344357472396 1.03076045824478 0.568254626509772 1.43992535379192 1.20543258514333 0.630091752630761 0.24788761598673 0.619148825877352 0.547571406355295 0.430407962262195 0.789430304286973 0.545840029029081 2.25674148566689 8.47195583432689 7.03986833238298 1.01558757970038 23.7899642320253 11.1502254937536 1.06221554092582 4.39740811777513 0.148649629360842 0.389580633456016 0.54787206469338 1.62853662329584 0.207236535171842 15.428676584936 0.356710383080193 1.1322637499352 11.3122285003369 0.29030117671453 0.984412420299622 7.12231610595615 1.48448499300192 3.00809185630605 1.20586802135711 0.920123373593904 0.371090145663781 13.4450054429527 1.04288528329273 3.3555647711368 0.465268778186719 0.659644393758748 1.94997148929553 0.685604686123063 0.687222020631383 0.260924783577834 0.556871079778135 0.317495205017884 0.785361049193925 1,7-dimethylurate 3.63521977280411 1.99605393797747 16.6399903252662 0.147174884177133 4.4197150764157 0.260159472753731 0.200697275707198 0.565072607273957 1.10657574554916 0.0829635152958344 1.330972110308 1.81256138578536 3.48641728837522 3.71467285635826 0.30952199598846 1 0.676541843892022 0.186357556247753 3.33585758364168 0.291475410274193 2.61320440815083 0.823738108696437 1.04672869721157 0.844957044983504 0.222422665602981 0.248762605971943 0.127542774955898 5.88798744497767 0.612960801901426 1.30349352063751 0.616708356644673 0.195868473419881 0.448934212046435 0.395226183815808 2.36680863326536 2.21474773777242 0.379013174206127 0.242556489162986 0.740560692343539 1.25192602506072 0.223864148219879 0.260346665039741 0.257536323502114 0.762071163299666 3.75522119919156 0.587131621339903 0.381052456679851 0.592884708496837 10.6052151631231 0.207774456137254 1.13233268732257 1.62248610730702 0.16870097317 0.731929763528906 0.193748710033763 1.11860939368017 0.133346487202886 6.22939915806581 0.501706325150675 0.762755251055014 0.244899522177035 7.41287486905626 1.18944168314146 0.0249919194567798 0.107775624408563 0.197759774861138 0.448591519129145 1.66562257827093 9.36746286519837 2.18684292851867 0.108006682511887 8.241991824697 1.78447730892598 0.303794675019374 0.73083807889466 0.814496689248918 2.44862267303072 2.22475073633544 0.361259344547873 6.32130706194045 1.74295694660611 2.60813064907856 1.31948585677773 1.61202618485427 0.658967326047647 0.0749446044687676 7.0794865837021 8.51318394172144 2.5717532766765 7.3530386087706 0.476269164517264 4.55827921424668 1.36124117143862 1.53029781831824 9.83593836200574 1.91831966239555 0.109633175789784 2.67392898727753 4.63301093372137 0.422330078183312 4.42433820675546 0.269164517263805 3.91034815783086 0.764965879987383 3.5019334890163 3.78189153509552 1.38020091670355 0.165238995857829 2.30761232604116 0.61299325388223 0.576563958310887 3.04700474707575 0.577159776678449 1.60697665664117 2.47420911277583 3.62665943203841 0.900005062509005 0.499851369927918 0.419844256453725 0.3156785903898 2.47482310425264 0.363124684404487 0.758471589588885 0.746129452249507 4.81755885815758 0.978203951612798 1.37060551501943 0.120037280835548 0.137736591166052 4.35936285078969 1.10310513533125 1.91290407583898 0.651089283187667 4.25924070153394 0.303609049689175 7.70393279064968 2.03273106783892 2.09886560855902 0.500636707863375 2.10103340087672 0.409682892224376 4.53188407113994 0.185969321195427 2.38587222486886 0.607224589774511 0.72233565992401 0.299720004309623 1 5.14923887124222 1.28721430898699 0.0672379080674326 3.19441332660063 0.703196779725041 1.50504238877733 0.366327045870226 9.87940843933232 0.616157971050237 1.0195841213756 14.5862398409074 1.26982134535528 0.49154236476286 0.303903713674875 0.444546704241733 1.77170420928153 6.77062420736037 2.71783392114688 1.43473062908814 3.38562948405245 6.23702277739629 1.4515199858769 0.358699532302053 0.289607967091095 18.6347711291602 0.552367761423422 5.99956124921953 2.17501483055523 3.1362048576721 1.2814547314339 0.409645247926643 1.75812630051313 1.51777524796559 0.678709813089571 1.03292577972374 0.68741603049967 1.84011168673714 0.14899093810888 0.593708988809259 1.81755366584066 2.4206828156377 17.7824458149277 2.69971143698669 0.0892208798640652 0.160651583851375 0.408992314072866 0.227093769349494 0.561192104043647 0.197981746409837 0.424069504354407 0.340009787517411 1.27033278857275 0.275083758562455 1.81557409501161 1.42899571504046 0.186687159010812 0.207451234408446 0.219967314364934 0.891481874270642 1.73669111815247 0.780502590317108 0.395566280574634 1.10973312789066 0.16596072791091 2.28674440430495 3.0190713800789 1-methylxanthine 0.871242676226991 3.69975435276934 1.07737887765772 1.15158757821707 2.09698916164584 0.511593553419974 1 2.52543610682335 0.894919417749672 0.565835117595313 0.604740327640293 4.55965244236419 5.62363690683663 0.662625105810885 0.864371192882869 3.63460179744843 1.616839639046 0.44751706843849 0.897472223747552 0.49061922281405 1.01969139531053 0.576677099921293 0.466948547581132 2.1230318671865 0.746589057895411 0.725964160855161 0.439214394230593 0.890275108450936 0.801164131568832 0.859378031592627 0.468266432376036 0.657500045759889 0.393264144381601 0.86565262753281 0.616543114967144 0.959610491827284 5.8408873757619 1.02854318818297 0.482192081708857 0.637482840041733 1.56916881738144 3.38387421521791 7.06813830468764 0.921369868028481 4.36408763933886 0.669566013215456 0.994761407940256 1.10820932403492 3.59149232149067 4.35689052404225 0.446572584335475 1.11577251844124 0.672970548935625 1.19611223985503 17.5917192905387 0.746947815422913 11.0654805703512 3.39403657130306 12.0303406366116 2.22278110299636 1.27652517709077 1.05609430197866 1.12710632767741 2.68866802115937 0.528515732249739 0.879468453132722 1.18516647447513 1.00523859205974 0.649424340600004 0.385203082386104 0.729127084362931 0.753244376109677 0.74538831841561 1.79581571577618 4.37766185272637 0.920440027089854 0.617465634323577 0.293046327311332 1.9193088426409 1.87900353266341 1.30862299342888 1.11852543334615 1.45867882049311 1.14453169329892 2.46263613566892 1.06755989969432 0.582805264217597 0.984240294327604 7.43002946936833 3.89758570827156 0.382655171782622 0.577819266743543 1.71541742170483 0.802679699082972 1.17425731700621 0.451844123515092 1.41853458532389 2.0978968755148 14.2916479051123 0.745446891073161 1.16316511998243 0.772024234437062 0.785042007577838 0.704021379020006 1.14703567440924 0.756378013288672 1.84473120641371 0.623813446085699 0.752922226493145 1.60623066644702 2.93160543993557 0.589204327055077 7.12830706715721 8.48435194845606 3.60604030530998 1.14909303900573 0.943488367836289 0.550473157249282 1.11146742811121 2.9657240129592 0.491739424889719 3.16164955246829 3.75507843244925 0.638500539966687 1.45596251349917 1.32657551296835 0.758310910987865 0.649277908956126 1.48745263851518 1.19211465597716 2.26201014039134 0.613336261966211 0.713810334413267 0.29302436256475 7.86107297787052 1.10550766020537 0.890026174656343 0.752563468965644 1.63727417494921 0.699159848443249 0.842523749382242 0.980740578038914 0.829432760419527 1.13796423407098 0.580250032031922 N4-acetylcytidine 1.83453037343023 0.834047409389231 2.4059166699231 1.02617832033984 1.11853864869469 0.769340850828608 0.743659152585906 0.747238322077451 0.379624911839144 1.03954803974646 0.586129409323217 1.0891055376968 0.799761894554495 0.494086251383352 0.926922949973196 1.39866158637563 0.927844868763153 1.28902912846047 1.78107350044977 1.14186205590925 1.1946967285541 0.942694969699982 0.24835885176722 0.443142460734037 2.50294881226129 0.728796152373827 0.973821679660157 2.2159171745124 1.7002208431801 1.37278715778507 3.00187987967253 0.212426782385812 1.68076418341707 0.534830509214066 2.53691032765297 0.712924732349523 2.90608833807942 1.07277369012803 2.71946835283553 0.691556663153815 3.81445842822838 0.956722519942641 0.859383425105252 0.672979122555819 1.04505739615466 0.548010220370056 0.328912905833149 1.12219172056065 1.97021229797098 2.77914305635191 0.754820027739784 0.512547500910245 0.719799351029992 0.171832907840493 0.583997198260444 2.21902577621746 1.39046255396071 0.63347181870695 1.29279779960942 1.280056504595 1.54763330952282 1.1674306318542 0.690615987639887 1 0.743319442086527 0.564408511565184 2.62115227945644 0.935836533872327 1.66323923374986 0.878050655536585 1.27688212513654 1.03462241114033 0.640225249610009 0.557467159106561 1.33029775956932 0.876821691272645 2.00420260933351 1.1930819241886 2.35632169180651 2.06014557514139 0.741322775558666 0.95384817433141 0.420603676642525 0.536397522425128 0.46602089986664 0.573225876371107 0.590009620302362 1.47878034639495 0.287913974636996 0.249098563788157 0.227619984176151 1.20660266656416 0.581537134260342 0.455032827546738 1.26769425590004 1.3690309547376 2.15246417478413 0.532804590411089 0.298057467692975 0.70368400990432 1.52526210252189 1.80787263189477 2.52674839118861 1.38280688604373 1.38640942768277 0.924815361732978 1.2972652074985 0.590566978552385 0.821630411687012 1.54398912617544 1.30042250317918 1.72782445564144 1.19665990789708 0.856425796077351 0.530538854383217 2.47188917753355 0.481224394353384 0.537408668522392 1.10371668262932 0.479413513908864 0.215814025995103 0.375216350029523 1.86477869567492 0.415401666308975 2.15103127292296 0.395565264835926 0.247839702913104 0.786562754588329 0.857911017007969 0.556736827606531 0.146775276783893 0.897983153259638 0.49772198500685 0.629719794012349 0.591423302913532 0.295786392984547 1.00593874825025 1.72171273414118 1.28734593902586 1.34486701880604 0.115629414421485 0.482072176825642 0.351744307097989 1.5494975767729 1.34682951777834 0.524010715799612 1.30834510512396 0.762177797281757 3.72154082862729 1.96546300774856 5.55386675293975 0.351525421195203 1.19853271703605 1.00260634384733 0.217934549911858 1.29420400806781 1.80595284236692 0.778877190060231 1.1771555723546 0.886798617495283 0.420417890559184 1.96991012865152 0.67700875863932 1.01364246429224 1.03967173520999 1.31030546862404 1.0443441484324 1.8455380909519 0.520648414785583 0.417068402378489 0.450388175463211 2.16776696872921 0.325055175263544 1.40157661914173 1.66575482002774 2.41317223330888 0.832810676506923 1.38177545296035 2.05580843105788 0.578660653176889 1.24542234835745 1.02045568841752 2.07285910901693 1.24456175305186 0.665599998291622 0.636161445970951 0.82300458806207 0.744193917961564 0.178088773715754 0.546214288231092 0.853525824799453 0.338665607472444 0.677269286250442 1.43804834922659 0.207186718216966 1.13114255238046 0.532341192938848 2.8154364745062 1.19649654427208 1.99595221240261 0.698037821348529 1.02087210550087 3.61742054174795 0.909082270135101 1.75168515451743 0.637615702554345 0.879024430869959 1.15517195356202 0.571754536009934 0.801885835519523 2.00841162508368 2.79855556658883 0.309727823387905 0.362741989042892 0.885585669273011 1.60380690633071 2.5292351485915 1.92810932763589 1.15811249881214 1.09811854219853 0.687742709764767 1.28265430655344 1.58382315727433 0.868499756022299 0.666288688083318 0.676036051042057 0.783938259227109 2.46692206914446 1.79874669135273 0.61198042626161 1.66624811411109 0.392599093919136 1.05354376276612 1.24545758364912 0.238574956676607 0.371577505362705 0.122604934435664 0.865753538744406 1.06011461079417 1.08669056260083 0.908214200676731 0.48672750627028 1.12380079888016 1.83070830410406 0.944453164289352 2.63078432691517 0.176497846910132 1.3690309547376 3.09243177967052 0.863315897202638 1.4608103476442 0.763459080615144 1.69097047602879 1.35094884369518 1.43746322983767 0.452648572810527 0.541022955258654 1.55930900389831 0.266910537594455 0.942828069928173 1.41399972879503 0.339559302597482 0.540831830494757 0.764487310490187 1.11652417728263 3.15329807668694 0.371588182723816 2.43312288254582 1.46202756681092 1.54927441992566 0.768786016073699 1.44403941654628 2.21412166425892 1.34149617590312 0.718582131863274 1.70651778154333 1.48425356170073 1.60092295109448 0.541122254716991 1.02227404301482 1.22171753895368 1.39900978153051 1.89920677884302 0.383124003668741 0.695359939181751 1.55567976885649 0.531369553077696 0.285979236803582 1.01293455525054 N6-carbamoylthreonyladenosine 1.35865732613653 0.436147195380047 2.80338621560875 0.540866569323905 1.03012222532115 2.06336685643036 0.963941397470182 0.98843108624678 0.200087280363559 0.868461929683527 0.914963332403655 1.01156891375322 0.572552622512428 0.302843174249012 1.37524584515939 0.404156645284071 1.19928075730481 3.85668958049645 3.10541958558233 0.785962955063738 2.47607172739652 1.3747497251981 0.26795859104556 0.40091874066904 3.95855823339294 1.638967729234 2.38149656292553 0.835795448952472 1.97042180040359 4.47551654553508 1.35623972569029 0.231806145718833 0.392493888733942 0.495218282939314 6.45885452725871 0.369094876380162 2.9133995963565 1.44897304950278 0.956376339469297 2.58070109366128 1.7236945659761 0.453989337812035 0.813726516279656 0.559816786394461 0.428785105571154 0.599722938043442 0.292202296433219 1.97689062645505 1.09390521382475 3.29681972100965 0.412149850796945 0.941138755957203 0.73616235402123 0.231795867475053 0.448611270207928 5.20288731193039 0.475880693594364 0.491467694921987 0.388135616965554 2.85765921379343 2.25035456843191 2.00168940217414 0.377302016486917 0.500150397998429 1.57393771627438 0.287732385510039 5.00023816450162 0.400487207105049 2.46338241390024 0.561252366193167 5.47720172368468 0.766054059221375 0.384649679796481 0.284338747386577 1.31634591374819 1.67861142678667 5.61809456861322 2.26905831074616 1.46344257309961 0.670484990279757 0.467652892957006 0.390804048302068 0.330575624646153 1.01489887897865 0.363575829846709 0.437108501648609 1.12059117538714 1.6542461269425 0.345903859006615 0.276712538742936 0.200949856071176 2.70957363609618 1.227384467554 0.413456871210692 0.611911356655874 0.388870712935959 1.39221408104351 0.31754662543976 0.303942405395539 0.525326610886178 2.39100842476021 1.78110457234638 5.474274525381 2.63299015119737 2.46406147116438 1.02765592563993 1.57164342571204 0.633632948122168 0.994169502252674 1.12956396117836 2.00591702810259 0.976690370490017 2.69605347411135 0.584000784541888 0.403097951538056 2.67717007829761 0.795044200529566 0.49901973468969 0.583414026323358 0.332683668920027 0.315886890815998 0.394438323223017 3.23913776209427 0.336280035304385 0.877165628165054 0.414421066597882 0.293331311544715 0.536127247419953 0.399021959755968 0.811221256470204 0.725467202111011 0.318876720614909 0.330117425812582 0.745426870724473 0.429508664160857 0.301165193040982 3.38668932388477 3.69614000446661 0.563622473828688 1.0743707801 1.77240373910027 0.36055468430018 0.349819975656127 1.11906164834558 1.27162867434672 0.493272470903138 1.39099441508364 0.740432833078 1.55041794161591 1.59195086394379 2.58302340357675 0.336451447817663 0.885846683044253 0.673316593143335 0.285815532116359 1.34696612212977 2.73563163450897 0.527398394820705 0.366348097609537 0.476910816871277 0.451849977790542 3.31883963617694 0.716207629999497 1.66175696177913 1.53818172528343 1.92039701775191 2.17352055755216 0.544533053359562 7.1759986221071 0.737339166852776 0.280219902476169 0.784467718820847 1.00636781004856 0.218773461057632 1.17816435328449 1.81200002966755 2.27084001196591 2.71907219680794 2.027788605518 6.49260000642797 0.453569047515054 4.00048456998946 0.541233362478955 6.32161767263012 1.00867693438609 0.401553590721309 0.971487011793675 2.31403926170653 0.779178653867866 0.216708269912077 0.570625663914452 0.991247248540727 0.459413554938947 0.469721380497047 3.01213320400479 0.239575358462298 0.941521137717593 0.63460373629833 3.59045430084709 4.74094212602611 4.07224707795231 0.575931210839864 2.37124653981591 5.64135887269901 2.22206985554375 3.34328240129153 1.02597311625477 2.02494381707648 3.11568614039179 0.470756448365689 0.652465249821377 2.15923398384931 2.67196836779851 0.269264335401546 0.557006610095043 0.516391733631547 0.925159483685732 4.12172595918899 3.25802115790801 1.04139694605533 1.43376183714658 0.974343337615899 1.29648348877207 1.92207653074259 0.479219941208804 0.825415531127441 0.584656767044626 0.582954179292544 7.16158678541378 3.42424844265963 0.950968604314816 2.61583736248884 0.383387160708296 1.21541855556938 1.20413829363788 0.250519388156219 0.48766200748776 0.235169727231597 2.81281176680976 0.887817926946954 2.57525380177297 0.399091184040177 0.582199304955223 1.04378518386052 2.10289200929254 2.92652419100299 1.62562353361952 0.254425615622273 2.19803089875372 5.35639051396559 1.46528360942011 2.11379483405538 0.939635600071532 4.4194282898223 1.05627192617395 2.95203004333935 1.03012657330728 1.54975866271869 1.04962309849544 0.290540913612214 0.714486912077742 3.74307242096276 0.219808528926274 0.628836694144862 1.41432794345365 1.88094576854201 5.47205275549736 0.313536561547394 6.38756369252221 1.96413357979376 3.55694809909292 0.809154417127406 0.969702014179441 3.1509773397602 2.82660388133969 1.17637441107852 2.52351853851054 2.02523389979126 3.68301211342564 0.496626552292766 1.34880715845027 5.44023595591732 1.07588382516913 4.57604988104136 1.00583049774733 0.742695807892722 1.18928474008342 0.405876812089856 0.369178052275872 2.85736089009244 4-hydroxyhippurate 1.74786136421099 0.672236741945385 2.62207293873638 0.452174600835309 0.457736338352666 3.91218579597002 0.323248698295176 0.518367862932612 1.50545086782575 9.05571878037931 0.208799402926149 0.951441779215178 3.43224239359552 0.833009287364776 0.223803993201795 2.3899537186641 4.75196895107807 6.27872370055989 1 10.8299292732492 1.90156123454754 0.253129026631711 0.784121161643954 3.47541126571274 2.34903536607955 0.829832600286368 1.65386144263102 0.354470009072386 12.4995585493377 0.326179984775698 0.3032772810425 0.169473788106386 0.745638562101224 10.3169622515742 12.1917484555987 0.302800324445125 0.619869805994672 0.433394529179579 7.32339641358308 0.148267262617153 0.652248143799525 0.511786975431538 0.317631021189141 0.14635071711322 1.46588504886529 0.250456132788054 3.28674634101149 0.610413755767441 2.91388465055659 0.199944665341912 0.820815915205624 1.38284902902801 0.085964723210116 0.255324070135104 2.2132432601063 0.23621533627149 0.838659136615473 0.523780983154441 2.81108634286438 0.338302108326101 4.04482737540406 0.29354153786233 0.41432360943311 10.2093906318046 0.193240222372218 7.64416033437763 3.76023706930508 6.35374098212086 0.409086984443903 7.46344603830948 0.53874276883789 0.206818011368184 0.391253846798625 0.224128053726298 0.805412334586871 10.1998406765198 1.52606873724167 2.61566109475651 0.661871206377477 0.0520234018966301 0.124709067636221 5.35681148843298 3.7287398004297 0.557409077530915 0.246986687540059 10.2654733791766 6.38137616916523 0.191652029452155 0.217556590401895 0.847215210854668 2.11831659113297 8.07977896388059 0.249919172324604 0.372714215398035 0.360981125083427 0.664598864694156 0.306830048862142 0.109761777364343 2.2000511751052 3.36050088579569 0.177992309869043 3.11278249508889 8.99873637825209 1.11494105094255 0.466113824274016 0.587812888185546 1.45095540518142 0.309307503770383 0.549176944228589 1.01767053694156 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0.576488839915062 0.883735437815574 1.70122272633786 5.00865184103604 0.194125002213357 2.23607934849676 0.250808045449407 0.478076872261397 2.93518338170937 4.59360251382837 0.287299146393454 0.615442555562063 0.814902087910441 0.799141626224667 0.291298852187273 0.221854615836193 0.608519175841314 9.52820565556901 0.238089076369659 0.183630286347063 0.458051101979218 0.20705236733821 4.32229674234757 0.864763906349814 0.663316439179001 2.9942670656611 5.24847414595078 1.0060414422096 0.425281845435514 0.214866537996865 0.549734465300697 0.53044489150466 1.51727575972617 0.602347656361732 3.66474865121449 10.2441563978267 6.73542215181856 5.09581791361507 4.58921666242156 0.892409071902084 3.61320944892186 1.82051379840611 5.81508800987225 3.89103883385387 0.880172955096782 3.41240964396966 0.58366760694599 2.47659290173105 9.04011555765011 4.77167693437159 0.514115767408221 12.5409266677472 0.492469820030265 10.5022283394104 9.29142280016181 1.11134750517244 0.251580336675388 0.77253094953683 2.02467926759006 2.01497182567194 19.0602400776922 1.96260312539585 0.145253405504652 1.82711164443549 2.7266518110706 1.8578187335786 0.515057635808161 0.472873100429187 1-linolenoylglycerol (18:3) 0.242528886165722 0.841922668329115 0.727425362016035 1.39624835804108 3.04160128865897 2.71663741086318 1.48182078033953 0.668334110672938 2.07413321876049 0.346839891474589 2.95577229076331 3.72050852641034 0.353211816180535 1.24260953440629 0.41494197787312 5.1249159170722 1.75420557379261 0.759716774798353 1.51048409284825 6.98610637788411 27.5092501033975 9.84603786970171 0.398490807349553 0.491163843324021 0.604937099725118 1.54364015468761 0.602262504313432 0.958779114104057 1 0.10167423606311 0.59801847986631 0.464141881532551 4.43446039673316 7.22096671395788 8.95653516552254 0.165281310367826 3.53110762072579 1.26371478070755 1.71606822563236 3.64766697777576 0.302393106401283 0.412498594089453 0.341625903482514 0.464891207188791 2.59488909585646 23.508193252024 2.8073108335027 0.366463163170471 0.423733052611639 1.13803328406891 1.34033394568548 1.71886426106328 0.415844661190357 0.299684878716784 0.207570606307556 8.36115178111601 2.31665791877882 0.957788152465819 0.932371262991107 11.3513839092798 0.452435826349822 1.51913567579407 0.670010102823858 0.254609413385058 2.06140918607152 0.99967244750774 1.06811759923755 1.20951618918327 9.80145484609966 1.96015896161914 0.5083180574164 8.29726868578442 0.682264709770733 5.7686157355428 5.64468447420919 0.244506096225451 1.15358906763959 23.9711240772787 2.44440437736415 1.29255765219845 1.93703395298635 1.38779649913475 0.981635355147803 2.36537493907721 0.987952086568572 0.266617862660792 0.49071605737299 2.77737332499324 0.375815674768 1 0.574523618310579 0.123980098226283 0.890128337434317 26.2885910112493 0.13768155978129 0.217489428539294 0.822526732032463 0.859133189552259 1.17017979869334 0.575814589503719 0.241622253048113 0.512093790512422 1.59559649084728 1.25097032492813 2.18088445092534 0.246370777581992 0.352798699261428 0.414158555138332 4.77284974614682 2.84283104013702 1.75680806015916 0.363998133345436 0.603563317277999 3.95213737867239 4.17203412070901 0.293616278174941 0.245441396715398 0.734838857986263 0.154731554946931 0.452775711390737 1.16012877154003 1.63349786597578 0.285112245924833 0.417251558340848 0.503089056786947 4.33558986086912 0.306608864833294 2.31792126506298 0.251772433892606 0.332942802625945 0.284217889496418 0.344945332278325 1.17455785346564 1.71108784918378 0.592907995240623 0.925403373001387 0.823109814932842 2.02996809323012 1.31029876339068 0.872246635187425 0.678924068991237 3.02741870877229 0.40989790622922 1.37543188585388 0.392492733662333 0.862039724619122 0.55754811173881 0.744068537399194 4.71309410819888 7.07616384728161 5.0137024481589 0.179295032054761 0.270624461067624 0.863626676979966 9.35280067246921 3.55355335257869 0.362966638975984 4.37265607580275 5.59040744767546 0.853669870498373 6.70505673958985 1.02299527022094 2.83240411690072 4.03435157432383 0.330469879969771 0.383939371217607 0.947564469631346 0.665344453016936 0.358421354843929 0.248011006553023 14.6521091618011 0.209538881072794 0.494135133161927 0.355296780316858 0.819190530970483 0.512071591924844 2.10566922328622 2.39947344950265 1.21622805546292 0.618065901193593 0.358194435948689 0.663168991434305 2.39188695887243 0.436371448472639 2.22874213923349 0.583348790127647 1.12203747516225 1.37250413880333 3.54266420541882 0.118826572794595 0.252965731300403 2.7732202159084 9.70510360327474 0.120830365299957 0.454480069614771 0.219621972852607 0.291911919950907 3.67227879847432 3.72661551454353 0.379009311567536 0.321004895528514 1.02288082416943 0.682332292137359 0.453307984190659 13.3590384755786 0.269767595587118 0.192377892969263 2.40465706635306 1.76950959866927 1.2435515569596 17.2139371612249 0.267039635824771 0.482519845537295 0.855049142739878 0.479100276446411 2.3035642052215 10.4857327211127 26.6897658591643 2.59062104741816 7.56850188145362 7.73838273916758 1.77693675277088 1.239689496023 1.69310058032041 9.68763430145485 12.1533384702509 0.2588597029533 4.88770671818055 0.209346000011839 2.22527915957134 2.44000215079649 2.27437651567023 12.8439439293276 0.941023779127013 17.6536966074639 7.97609952070783 1.58215401281401 0.727836436860311 0.422153006478041 0.86210829358964 19.8452718981667 6.11508734404259 2.96099905483347 4.23577021206064 5.46863980867777 0.190925612039725 1-palmitoyl-GPA (16:0) 0.868671541871264 1 1.28348542004735 0.78618645198907 2.22134412341152 1.4750375577892 1.03547170646547 0.483185453861328 2.75008230896711 1.3162186015499 0.952371466593626 0.480949969981436 0.981726025957066 0.874976137316257 1.11413417883318 1.61825239387677 1.98686376551766 1.64986457062386 1.00214418317688 1.3320108564836 1.59715916479224 1.14744510199395 1.29405743090889 3.01443381114035 0.878213162241349 0.832230808177223 0.809676767844446 0.513021416931577 0.652617425154174 1.57897649145232 2.20530484751399 1.32019156547505 2.04823997144778 0.593493303231768 1.14531475225693 0.765592361727852 0.681020243855878 0.989760487822423 1.22500643254953 1.30442144404512 1.0477004672936 0.842279418884859 1.60693110670286 0.919912683327662 3.47261393912733 1.2646973381695 1.07719336105555 1.31563206370022 0.93657921165993 1.96577053643313 1.16017740003265 0.815846482017912 1.57776468212139 1.48813505863995 1.33295153039345 0.955381623105165 1.11679573266048 1.88814280536627 1.10517010980985 0.715554043099465 0.785423981097988 0.998779890605158 0.922319701861704 0.880160910572345 0.915906519146864 0.802350578099451 0.916205321447642 0.894486820881854 1.3112108963239 1.38505933162352 0.875645675805037 1.09477289641797 0.848958203644835 0.70180360388775 1.18447998716257 1.64435886156323 0.87349872594019 0.388802660447152 0.673860055389093 1.30681186245134 1.54138826868967 0.990003956363797 0.633095674836696 0.66216803202718 1.26081290825939 1.19186704404291 1.38183890682625 0.546520474874323 0.962879347504309 0.608748820699253 1.05744474232452 0.987143201002648 1.37617272986335 0.976840055001757 0.564930016627795 1.42114800950634 1.10042800662898 1.0342820306383 0.919165677575717 0.630898924588386 1.00170151310165 0.975517578152018 1.56109262041318 1.03197461287119 1.3334384674762 0.872259249729556 1.28891692466032 1.00122010939484 0.757840102035452 1.14090465163248 1.07550568139375 0.76387701518635 0.920809090229995 0.715720044377675 0.745434273177237 1.75657019225715 0.726631861732002 1.2369806580844 0.952537467871836 1.01347100372673 1.0032176581093 1.99008972369087 1.04615665540625 1.580304501678 0.695252086774402 0.873011788857441 1.05206630091052 1.16761425729645 0.692856134992239 0.684456470314821 0.788096601677166 0.916703325282271 0.518355591338053 0.823311006161414 1.03635704661593 0.622338792008699 0.850087012336662 1.03201887987871 0.901060471498964 0.821783794401884 0.953262340120019 1.41880739148358 1.48597704202322 0.630522655024444 0.751421385944672 1.37269776977283 0.632464869979499 0.931992043005398 0.771330472577972 0.812476656070252 1.36943861134397 1.06410139358073 0.559723109867946 0.879009968376757 1.13752375893294 0.867644414195323 1.54940059705126 0.643432021093229 1.07340853191236 1.18735734265154 1.35101246946268 1.26913510567365 0.934908132125951 0.527944931842642 0.836757109696411 5-methyluridine (ribothymidine) 0.808150322969459 0.955386512197411 2.76864055531465 1.39623547019673 0.550430505611034 1.08184851757677 0.496224130483993 1.06003125003982 1.47297856879235 1.61673299903124 1.11806084966302 1.68067538819404 1.07032618025387 1.49321422246308 0.439610508473568 0.842423436765387 1.12850103013008 0.384650700747529 0.291781426399956 0.938282657841794 1.00856424371973 0.369142050925079 1.35530292959567 0.687881414635534 0.664816353989307 0.488523318823881 0.485855301018408 0.349773651689044 0.682216654767755 1.35000341890215 1.03913475018868 1.17429563183223 1.16534108114605 0.991435756280269 0.405862334188554 1.83629362126294 0.735678472538391 1.47824747374962 0.889856342327329 1.09968072891164 1.75841916428287 0.857894872477687 0.888831238743189 1.07183456317129 0.827880526754345 0.816605532695937 0.672077381003513 0.653627807223258 0.827006611631776 6.0233242562988 1.38088783133324 0.913071788748486 1.64625565167095 0.915487368032231 0.94192931366738 0.743600976998165 1.05035892942534 1.27401362414205 1.48424461605862 0.972792376436362 1.41750980004753 0.721595038269579 0.813806255422598 0.891869897747349 0.726711393253215 1.10285797733891 0.698112721306406 0.98406737049477 0.97016834033439 1.16440084413558 0.521344775550993 0.750405603136015 1.01966194489066 1.32558607004493 1.01490867128822 0.889410794512546 0.757269788364788 0.770827499119499 0.907369005792694 0.901444021613078 1.78932460563578 1.22698484965625 0.852740720378658 0.652453805911812 1.11980024797198 0.797379399999427 0.904566292417956 1.34415247127276 0.892672800107665 1.35114951908898 1.17928030856191 0.6668441985723 0.776311516952865 0.8263503162645 1.12442982192405 1.1319193776075 0.541569668387581 0.988711834219561 1.29088602738 1.22917479161477 0.59158097888802 0.903387709637978 0.733839012922605 1.2918023210865 0.93193598543093 0.772710482686344 0.515182700374821 1.44201149375918 1.06388800600172 1.23427052999001 0.560682409737911 4.4887728250194 0.615958972949292 1.34830557249744 1.27748752265679 8.8873857854212 0.574534479845834 1.36650431087555 0.439421245987636 0.910495858066105 0.97897506822093 1.49834981230296 1.1489005907231 1.04989505573643 1.47403824953541 1.0403003152623 1.30589148219097 1.10638914421031 1.64080026801591 0.774191442389465 0.626103489647313 1.05821156648999 1.24628199511501 0.679706671477209 1.03144319122191 1.40834228151406 0.628981797252837 0.728714640369037 1.06248607663079 0.917662420218021 0.544403306674913 1.52364524543786 1.38078589365839 0.705437344122692 0.728968911872589 1.00353059418784 0.582085885354477 1.5639381158138 1.93958417446232 1.04803956098078 1.56824355086719 1.21185684056203 1.51243668267317 1.4834623303067 1.04098868090931 1.83355295748111 0.919564875026129 1.307535084027 1.5831848651187 1.52800680348077 1.19376576669444 0.647361503637972 1.08260215958973 0.897616204654199 1.24566464223026 0.883267045210504 0.890078543551154 1.19544716564586 0.543724103964975 1.00458891341884 1.18086320593987 1.7377659041385 0.613097845850764 0.996469405812165 0.763066491425495 4.11057259766402 4.66763106579275 0.908403272313899 1.36159641271014 0.242701004773318 1.41222622146246 0.541979709821237 0.869262641273877 2.39565333172982 0.899144124409778 1.07802870862719 1.49596859403321 0.438139580165677 1.17091454702162 1.59777340629322 0.829271002453949 0.922900184117767 1.67705342851334 0.943582078440468 0.701358691761661 1.03462158501631 0.467364767934302 0.769289271059722 0.567498489547093 0.589300552925984 0.671093510636166 1.29348715613931 2.58900046673711 0.648579028900476 1.09132642104269 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1.18994940340689 1.68748428699464 0.605738862020485 0.940652229313954 0.989814822768753 1.12986344360355 0.863615981307608 0.516870971529037 1.09804056317702 0.952324665767554 1.07651453327721 4.36616356415345 0.727174121574994 0.878794386555681 0.632421334753589 1.14673470147437 0.928687724241409 1.09718382856145 1.21112495096397 0.56348168701125 1.47029404437725 0.439113142228827 1.04085581832187 0.796545572726518 1.69913152537131 1.43215102811017 1.91487402393245 1.34338049382504 isovalerylglycine 0.620517575655399 0.61821349293321 1.59977521144174 0.436466323864115 1.09083143667987 0.54085251060721 0.657124392368429 0.532743263367895 1.48980864873978 1.2379948860603 0.798763662929557 0.659765657928011 0.406417713338391 0.528140717637472 2.92809014021186 1.43633707044311 2.32573548006407 0.57308157014808 1.31118042091658 1.81587569192728 0.802202927870971 1.28915114220686 2.61793812694934 0.625833825058305 1.80914327460732 2.5509960942988 1.06070415015876 0.414431425440445 1 1.65227457922392 0.833122594059962 4.96842585341411 0.491354090716787 2.39275201857903 0.983122248926575 0.589098022977745 1.23009250507833 1.32493796488828 0.593808790832906 0.8587639785285 1.79974735881949 0.716558799084251 2.7975119944551 0.8137566423327 5.73706114096598 0.546953153363998 1.45201467839258 0.994482100582395 1.03641693596056 0.642956801958719 3.25163601667072 1.55102481704518 0.709759690829605 1.74893707674351 0.97010612729875 0.234080155065276 0.276008989465283 0.312806987538969 0.785263998031679 0.46774624263755 1.2378637717948 1.35247645366195 0.230689602405192 0.964363191200166 1.26588233882123 0.499449410253871 0.761650148974283 0.305497796140771 1.24284458366714 0.407820474737382 1.13180848478302 0.822158011755916 0.837424500193532 1.62414673591796 0.718755157090606 1.37942684657599 1.86880061450016 0.717921021126444 0.650253991400598 1.02158251795043 0.533708994566114 0.71174001362222 0.373596896294096 0.893647664569325 0.330359848655331 0.634951497094026 1.37397195742906 0.397990872512219 0.427227638105011 0.680174868503566 2.09045274379724 1.0915539232895 1.00551789941761 0.948814656789057 0.732281361861983 0.469186477395816 0.897428280809772 0.39423426018441 1.26337392995058 1.04977511334348 0.793695372345692 0.690112488335599 1.01552753098755 2.60704094767447 1.22556776754611 0.665676505270359 0.577558141977142 3.6397792840233 2.79231514736902 1.47218396598646 0.412801286609717 0.326915287191812 0.745693548048332 1.27341956738949 1.75795054593899 2.67315972503518 0.634117361129864 4.40539607956097 1.94261264586128 1.10380792069107 1.47709876709904 1.97554601400028 0.662321958479232 0.864716948862665 0.571131094368382 4.67543409575761 3.15404210886375 1.52947530447463 0.906075690337525 1.31031958209188 0.924108629706642 0.320986320770286 0.889488986704833 0.857101707578335 1.39746578692327 0.565616195439857 0.628044371232511 5.33834415009647 1.42611445665644 0.211096408714621 3.58950908998167 1.05418583229066 1.30561481521488 2.14939435127926 1.69000147023965 1.67004821785951 4.88982504148176 1.35842342301795 2.54775728443736 0.487063391332787 0.687964138154519 9.75493805490295 0.565718212068567 4.175354582797 0.785588050852289 0.596575241764408 0.48874966619559 1.22495566777385 1.08799534324095 1.79446649803918 1.18117253112257 1.02804557142814 4.09513950773976 1.08022407652447 1.00836836404334 3-hydroxydodecanedioate* 5.64978440108976 25.4653306581252 2.30447911223509 0.380965867162351 0.659776542998121 5.06697726737855 0.858295073335541 0.248945938722841 0.310937107344723 0.347196017503201 32.219137045916 0.450125051356817 0.326593457440655 214.588878207557 0.659389621734604 317.268714823073 8.45496356159029 1.35600346234698 1.84116682688664 2.43347945926756 0.583162143942688 0.265364164708792 1.74017239935061 1 17.4281543057954 0.758936086191698 2.09306453607343 4.79071947410619 0.256520819953968 0.366266848027699 0.368460731480632 19.4786136252129 0.371348679880493 2.63389441469013 0.883255187386786 28.2941557295039 15.1783656707146 0.321366213485571 0.453338041708355 0.258094154421622 27.9110476788365 5.50266807917917 13.4266703287361 2.18225334981265 5.99819512290821 0.267448780073111 0.266745793524676 0.290680033220202 2.40768315251865 0.175740097698782 2.92941361112746 1.76910652044547 10.7458229520204 2.16596694982311 1.09760722997142 0.296313734722304 1.00521517927792 0.3819211477972 2.21930891517732 0.309765300583969 0.10850515632459 0.201453056847089 12.336544183522 0.326898554136504 0.295970415710278 0.562389238747311 0.516371412316324 0.636981016093488 0.571076844604006 3.78754765594857 0.648254958507445 0.98994892720983 0.273841053106547 0.165819813103669 34.072692078813 1.6732682008122 46.2240140204945 0.206076419542372 1.6949855806015 0.264522394208699 1.78085130036163 2.81475160052054 10.1601893813064 48.0772238897717 3.65682812469347 0.682024470471295 2.17040066963556 0.277290591751189 0.669831740987059 7.35599238812705 0.56553796454332 1.42673572283366 1.43442933840792 0.352353206599572 0.461250727509335 21.4115250557485 0.67262079924666 0.295009122476605 0.259925189152427 0.209120514782336 0.39669040472407 0.141437623840072 28.530431143285 4.07964347138027 0.793243481843329 0.409618817805505 0.408232462937895 0.101452402906114 5.00891975490292 0.419323301878772 0.493297105003302 0.159855871409047 0.223647813548349 1.25455306404044 0.311485165348976 4.17863051680955 1.22646629915184 0.584718053348505 12.9956447531046 0.256920330370981 1.38529875293456 7.13848181063177 3.04622708754308 0.719276218128552 2.25911103263819 8.40449519026413 11.9805746833291 4.01279762488638 0.2756099634447 1.17997763521865 0.375290186307784 6.849060613789 185.456833356221 0.49666817073091 0.60441148581929 0.402539906748017 3.1038556359903 0.81990792511068 25.3907885874221 0.873521275969631 9.57511493012641 0.368263590528319 0.538693687507766 2.13804693988321 0.551112026628477 0.204611591757728 10.6469895827203 3.17733571367848 0.309696636781564 0.314104198955002 2.73078557929361 4.20083181292057 13.3648794459812 21.4252316585905 1.34248196757761 0.925293782983148 5.18031441482092 1.44173712880675 1.46811383804498 0.138256200995298 0.73254141081226 2.976396000497 0.515877686879982 0.900143213073588 4.17344476487552 0.346631223065806 5.99998692118049 0.239312969611363 0.315582105559152 15.7845035607086 4.18203427958593 0.360481692922397 0.173536316612063 11.7220848946174 1.99327421706917 0.511535518804073 52.7094638337944 6.22295136640967 2.068219122542 0.476497361348165 0.501347118409092 0.660326708911254 164.903033632184 0.29193886959763 0.997995670910744 8.28383327120894 201.51231697827 0.951807819826182 0.735343547891367 0.31866870696251 0.391543889248556 1.0073274086281 0.413094514089158 0.772183312734193 0.24725508275623 3.47089308718995 0.407813940713711 28.1247850169044 68.9913647094213 1.15095573473538 11.0575173784814 0.143497537912228 0.148843505385204 0.198232397543798 0.789270790418457 0.118075582497924 77.5021416566941 10.5287341664541 0.579607504626632 2.35503763430313 0.606893191820506 1.96236242716732 1.00200432908926 19.5979930551468 0.777669877516855 8.33341507595524 1.0705635009384 0.23139374440063 0.449584420510205 10.6024104264349 0.621907676613109 2.77066616967153 0.435727411243861 1.678512807434 0.751253931820114 0.505009187870703 6.71649042957383 14.9300937097418 2.90923626233496 142.069850705275 0.0955505856041434 0.225194383954904 2.96244743949411 8.50241958160856 0.421808277584865 1.80064609368358 2.76571910619348 39.7578031506876 0.979489141310105 0.246659996468719 2.05482968107299 1.34558164780047 24.0875463480666 0.446488009992218 2.19395562356542 7-methylguanine 0.661799300206248 0.862696775809013 1.39248413603147 2.6763289162422 0.76082472868166 2.44087665311448 0.582252123432548 4.07296437114109 0.921704808281552 1.25996481263055 1.98266330168227 0.456012493492972 0.609822152228204 0.406328454984548 2.43746334649016 0.527382231037369 10.465316719272 1.244815793462 0.780685165294974 1.17382824082921 1.67071475167865 1.22726823450339 0.989048425464058 0.543407639744595 1.01095157453594 0.353310182592136 2.2933005620754 0.686252545153829 0.873015768422301 1.0754222154864 2.07515205029026 0.863388662286915 0.476802034805185 0.701355438557186 1.6497011709355 1.22359135207797 1.21801556714275 0.601889216353057 0.558109776064888 2.58256379253886 2.69460691705081 0.51405828862188 0.436021058464949 0.432645658580821 0.523539635759087 0.51293987254087 0.779928965465125 2.15603415703166 0.841754200357692 2.48129172019446 2.18462933575153 1.48530693468349 0.412504093302098 0.994634625557319 0.493382704854027 0.480405047986095 1.08963953751984 0.513483966850551 0.801481145620797 0.386196125846999 0.556870450137283 0.434267865689312 0.57716315272425 1.44540668530694 0.43708909544321 0.384714980226202 0.606292349933248 1.17866948789642 0.837411521700799 0.908032947933197 0.61370815385778 3.05588553867856 0.391576614020504 1.23122496788332 0.806216781279126 0.355172674374669 0.425370916143983 1.8934885009698 1.29381596513766 0.463336607975012 0.445814756039195 1.1309201743117 0.892143378926421 0.552638605506436 0.840242827275246 3.323116451296 1.6234061311368 1.24589536260359 1.4616186805713 1.54271896017532 1.73924783999597 0.479901256958614 0.46423335600393 1.55216000403033 0.844383989521147 1.27447038968236 4.96255321292728 1.67738230182121 1.05648001209099 1.76335927857125 0.646746769440036 0.423315448751858 1.14534874933877 3.3341797022595 0.642988488375022 1.76298647321091 0.509725685785536 0.657679034736391 1.08249578075015 3.26287312022973 0.625386029874808 0.438066450036525 1.02860021663014 1.05117005466133 0.956487568956397 2.35378221113882 0.455386785561349 0.64969898486108 0.756784805662611 1.23770372049674 1.08507519081085 1.74214967631427 0.908103478677045 1.18118844303383 1.17207990125696 0.895347489861206 0.51818937504723 1.2554573163052 0.79832741378876 1.8575581248898 2.65534144436888 1.00300763243407 0.754820020655432 1.12305095846243 0.892848686364896 0.884586513514194 0.834288017330411 3.26600670042067 1.81252928285347 2.01381394997355 1.67461145117006 0.970644096828635 1.82178896193859 0.911599788407768 3.26897906748281 4.27929166981536 1.69458172749943 0.529575052268319 0.596004937152069 0.575732386206202 1.40694727826897 1.0310284893826 1.75317262399557 0.447970981636817 5.89366986573969 1.19182850953425 0.765893347439482 0.63888762941132 0.724844454520265 0.811990226454067 3.63938638252853 2.04465603667599 1.19751127232424 0.643834857301192 2.10282374870904 4.80649890425452 1.02243381445377 2.18051840096728 0.690234010932265 0.413159021637825 1.32647169953903 1.84747222851961 1.68506007708003 1.93685483261543 1.31147887856117 1.12650696491096 0.46893876420061 0.665235900148618 0.686929141791985 0.345127081286682 3.77647799692688 1.59063956270939 1.28098944557797 3.11922214665357 1.07469709564473 1.24749741807098 0.578462933575153 1.00602030277841 0.590009823925036 0.487528653114688 1.64198594423033 1.12622484193557 1.04181969319126 3.46209224413713 3.58814075921308 1.7454041663518 0.864142673618983 0.860434771656717 2.94441673593793 0.840061462505353 1.42465049497469 2.17117811531777 5.2484344693821 0.745358825159324 0.736199904279705 0.444333610418398 0.832494521272576 0.65717524370891 0.330325700899267 1.31249653643669 2.20351142346155 0.870883397566689 2.67916068414822 4.0361117408499 0.422831809365475 0.835749011310109 0.809229451623467 0.541111866797652 1.72694526310486 1.12238595430615 0.760442328522129 2.28442026247513 2.08753872893524 1.22959268495428 0.767817829164463 1.70658202977405 0.849865235900149 0.713881961762261 2.24685760346608 0.713932340865009 0.996992367565934 1.25633391269302 1.8782840877604 1.38857905740699 1.87650066752311 0.388533716214514 2.15287034937908 1.44168870752412 0.413148945817275 1.71645633391269 0.400977354593315 0.947318572256228 1.02072092496033 0.781480641829769 0.837613038111791 0.893312174110179 1.28103982468072 5.32803345172423 0.933917730925212 1.33993299579335 1.66685306934684 0.581616665407189 0.651290964507922 0.922663039371269 3.9183354744452 1.2997506234414 0.585929116602433 0.911509106022822 2.2104234363586 0.736129373535857 0.637738985868662 0.633839643315953 0.949253129801758 1.95498123378423 0.342507367943777 0.782367314038137 1.47040479609058 0.416917302702839 1-stearoyl-GPG (18:0) 0.659125894704409 2.06074180879834 0.929950978563201 0.978849651145017 1.47499521580625 1.22359576391238 0.493748051719842 0.770049382508025 1.02115034885498 0.480600244806291 1.49999819464387 0.678927040744481 1.08688216199822 0.500153455271098 1.75709775762733 0.397796984092405 13.0466660488337 1.18442675730357 1.6511642741686 0.516021332088039 1.20249476145829 0.607690094973768 0.307594170384697 0.429044088000279 0.521162986347897 0.510650999384975 5.74834779824784 2.43867506117148 1.44288394809722 0.387532932704748 0.192571320593938 0.839805936251672 1.557266498247 2.09336820478997 2.977872351693 2.35725349968286 1.56227733488611 1.22141941161959 0.623775689136721 4.15904984364825 1.60146417244698 0.845308447439365 1.0061807279524 1.42779482916877 1.27604362291559 1.50503948242793 0.255398969211929 1.1661595699049 0.592985396057758 1.82431264126664 0.628136202708319 0.674923935485735 0.64325353875012 0.760662922521986 1.3216934438945 0.901212809508676 1.38444750159463 0.729308118511736 0.755613438916139 2.33504390517105 2.40157618563964 0.509108850597959 0.862808286309276 0.779522921588543 1.12655490535552 1.5864757404761 1.38602991018942 0.546566595621262 0.803832451377607 0.614303462407795 1.8708914605498 0.832182457044941 1.57996386241046 1.24209295761501 2.48952432175345 0.828057526775376 0.675221748339249 1.15308691912603 1.25997950869769 0.999037664436034 1.23949709632468 0.421849684518399 1.74460547575603 1.2480358797814 509.123634561404 0.88459751926338 1.56527768826106 1.3366552060576 0.860705816462828 1.69614643502457 1.64426032399372 1.85410726152191 0.614636835005012 1.90296634937004 3.20165708405657 0.57131173227069 0.779776284762428 1.17482281246458 1.382127228318 0.453137814009206 1.01823103609981 1.95583035335273 2.10998184230587 0.752177478680823 0.548686845339562 0.677124194627367 0.652134584739981 1.12629265224571 0.586731326133967 1.6031265904651 1.87433186575308 0.97168777656035 1.16647516263027 0.672674781696511 1.69699542390548 1.55911696266449 3.8693579466026 1.96567151242257 0.63199443490011 1.12435909118185 1.42227417895886 1.26265982437932 0.78403456407088 1.2337808675244 0.660926731370584 1.85303157927489 1.6784021229167 0.393197421029588 0.930647387358956 0.731446148101888 0.51623857921044 0.429788397300127 0.929500585624529 0.309760927398116 0.344004960584247 0.460587580315015 0.979110873058382 0.619837447521597 0.399927102525409 1.10644587029139 0.773064383138459 0.857020938021589 0.711803834673862 1.59730368243371 4.07994274881264 0.532662735833331 0.99493051403832 0.561017186468629 1.16956886033244 2.50593958844042 0.807695128537361 2.68090241739583 1.85775213525149 1.26853607202626 1.18249482716853 1.0971247724732 0.920495080531707 0.610640808806371 2.14312796840517 0.354357290969825 0.99422376413222 1.57242964171336 3.06833915994551 0.388716893322991 0.773806692788262 0.403905348852198 0.816905102156476 0.553411846284118 0.906440091833038 0.530871413744286 0.89086492409106 0.901057235629974 0.644702598306023 0.466903879790286 1.07095280110769 1.11048634616966 10.2445043527349 0.597248120334173 0.977506239623778 0.951663195887516 0.816536169815556 1.04130486479519 1.00096233556397 0.893851942562124 0.916645738275841 1.82600172909254 0.627802830111102 1.30867857769915 0.94309774262302 1.2745812284558 1.20390179287783 1.34506953041136 0.778820616650406 1.13897859081181 6.14719066912325 0.442389881474929 0.459471893356329 1.19866117564958 0.319242044062967 0.783794535800883 0.687996586264605 0.791973276852607 0.464152444621255 1.35880003644874 0.871684887331175 1.05683558285754 0.533120567533509 0.866422045263109 0.370514749514943 0.669118807326196 1.3663387021138 1.50167908664798 1.09173302633421 1.28111088639329 1.14285015790749 0.785754766672519 0.343209311318889 4.82873316190574 0.914574383205133 0.687076477896286 0.455138049592508 1.06313410246096 1.87563424136621 2.11866730970537 1.56726903390844 0.449146232778527 1.46825737253499 0.915174453880124 0.898434704531867 1.81944984631523 0.646596154658215 0.931300797649501 1.16479496474029 0.836849673405979 1.43868500067786 0.518345494024852 1.3631294352446 2.02097135884893 0.509353323835919 0.910151640082054 3.80510148973101 1.20183043780712 0.553469630867636 10.5875003055916 1.30999428821617 0.370283611180872 0.642533453940131 4.00106679231109 1.24560003733773 1.08138069594863 1.33606402531854 1.0342951503177 1.11998968767433 0.577396893411891 0.331007874260746 1.74885486512856 2.16800645409348 1.9546124321309 1.14924202183813 1.17061342780372 N1-methyl-2-pyridone-5-carboxamide 0.598413993136422 0.672435161664555 0.591267328465464 1.62948231015139 0.894422201260573 2.14408214260024 0.216060344447901 1.14750486715313 0.821700257276674 1.9126265683517 0.61904935112566 2.22552167409847 0.471830708485273 0.198251671415189 1.33277149812792 0.634081076957207 1.67546509740175 2.40243375668918 1.70552738696776 0.504983014207915 2.14285636259196 1.88367849747354 0.123424937185747 0.565270054512812 0.695009362435188 3.087201557489 0.696463145892109 2.33618910945363 3.68434793512198 1.09148504735488 0.908514952645125 0.826392340478642 1.17617031601952 1.79979670273545 1.85719360758282 0.719616071012499 1.99721602649898 4.1960735727113 0.775455716326249 3.15368009217852 1.89620562784116 0.103238961520512 0.288720889076705 0.499207903618395 1.69653818219322 0.539005933272368 0.327085521741659 2.56055756263131 0.888256089844368 2.52205340759942 0.161239190783666 0.804361178984092 0.837286671696169 0.626540257169859 0.405917891421908 1.32583707560226 0.866158202514372 1.39047522099506 0.681066491114044 2.34466891174898 1.46759604189555 1.93471893554033 0.190287524345258 1.0131076240937 1.86719524436338 0.147225564247985 1.05830505773045 1.21559610038333 1.52974801032733 0.53854115636361 0.214976509456212 0.306233736575297 0.0456756046927288 0.386330513753724 0.243023407276839 2.61424777855278 2.82307146324473 0.918207635400597 1.45674678264212 0.609668766087627 0.450010084676683 0.487418598465455 1.08521434597998 2.47653049618507 0.141183017962556 0.414721864393858 2.2984798647459 1.01768105566418 0.539238321726747 0.468548477381248 0.139058036505079 2.33076846575736 1.11059603173833 0.914004552000935 0.292077908843229 2.49396766675183 0.945786631011447 0.179337585751842 0.366385735590381 1.62647473746634 2.07622921716679 2.45071461682079 4.6287212708099 4.05270820169398 0.215359805302676 4.22713794866626 0.418942360184915 0.627960706483225 0.327779338567989 1.17737679421578 2.14926526963479 0.123627309192839 3.35300710325113 0.429171916893335 0.494714167223919 3.32038945268947 1.79429581219709 1.08238862738677 0.856228674703825 0.198373794261657 0.319137881249053 1.37673237946914 6.225802328952 1.2425826282152 1.32841210040655 0.421423402722829 0.816235983443495 0.329904766497041 0.973475905101127 0.972140955094224 1.72542958099647 0.629964470908303 0.0878316739659188 0.51723620254942 0.430637236599909 0.0909498314402381 1.591081149892 4.53474324591755 1.75955920754421 0.124466675752363 2.4019978710003 0.24437710908986 0.1235708305387 1.49342576187863 0.422758352729733 0.283362783714547 2.22990562595482 1.43272750489249 0.834766339659724 2.48699980812884 1.59035295475446 0.504771385904692 0.950205583417242 0.536828937876494 0.298295695221537 1.45474636675385 3.13296738290753 0.167207622787775 0.725258024294081 0.566073942166528 0.44364362326416 0.836138346807287 0.368899593789 1.09750213664553 4.33208533366551 3.6186679587554 3.30305876559316 0.962738710212825 7.77870346217498 1.70889339006648 0.289200176311625 2.43195432774384 0.374434055422972 0.256098997035094 3.10783304240129 3.48799756047932 2.51027838953685 3.13606098444527 1.13669452760908 10.1331661743759 0.719909294834983 0.478557477132005 1.01959240047339 0.666865123281405 0.503875094219454 0.225278841031229 2.34318774230152 3.54202463920353 0.997106306109617 0.057439460965939 1.03583994753066 1.27869124001564 0.0350053805405588 0.0521715428617734 0.655747534611872 0.0828419076524893 1.15694424585761 0.401348478095602 2.16480984719845 4.1125999077813 8.98860347821448 0.595344618572079 1.03532003138249 3.99769107225395 1.39746763555463 1.06911770631479 1.01784066925196 0.179600111037481 3.01167668269835 0.71267533915376 0.509837498857312 5.10918428862066 1.00289369389038 0.24336451155954 0.611451303847681 1.34296885961226 0.831916288365721 2.16090813211139 3.34496369460585 0.967343394793494 6.0740490964699 1.105119611409 1.34794858031527 3.20005196929124 0.979543007323138 1.20514620995304 0.25338177103442 1.54664003910198 1.32753031904747 2.85671890049231 1.12168884123549 2.39295258014249 0.372909354997027 1.78250628380836 0.259995800934844 0.798509945768214 0.476169970388889 0.061924044693144 2.65211057716831 3.45765155728727 0.526332167930907 0.697793325406231 0.169833991823096 0.367307699391136 4.45784744669046 1.59397093715611 0.775609302547779 0.297713273052974 1.2374624922021 3.6513541427037 1.81525832231386 1.90052948180165 0.677264785659601 3.89312787604431 1.77170033229763 2.3590506540976 4.84579284812812 0.607450025599564 3.00722067315189 0.806147734988314 0.0326335003025403 0.919453067856871 0.133841016160374 1.06576983921554 1.47550193729597 2.45066595141921 2.60725447105006 0.197126799154874 2.88562570256488 1.42244593424568 1.96640055844665 0.47101188429198 0.899568340120259 3.00457957055462 0.764034973457823 1.88909735390808 0.519691572971816 5.55267655802116 3.55981452231392 0.213264960676458 0.571096524140662 2.96448240494592 1.29357459317789 1.93012451980587 0.458738157481016 0.910237671329281 0.697332120270066 0.392604332314597 0.186938764302856 1.77336455509052 mead acid (20:3n9) 1.16694819679645 0.833051803203548 0.743048663767068 3.44096096387155 0.719374295797197 0.252521168631944 0.495387352647456 2.20349936509969 1.24141961515984 0.528002016911829 0.357934811517397 0.523468465272021 1.25364108546318 0.812432507587939 0.709265621403265 0.389180214187267 0.627826344814615 0.388388680140053 0.57148123597003 0.343930658848249 0.25514719244835 1.18170033282507 0.607103498845872 0.659855320037638 1.37048293384518 0.502181276296728 1.08662197845435 3.32152886070443 0.617409133679831 1.00717469075653 1.78924159846032 1.3823275600963 0.237290022805642 1.29568042793608 1.18846910276847 1.38863306339253 3.21041767267067 2.26765435346611 0.691136607122768 0.425719548871747 0.645419285161679 1.16215982641635 0.497269726764985 1.34138678841983 1.19479756747511 0.123999346926719 0.385800156114514 0.825750702544159 0.902106853634855 0.708985353735527 1.22961860405009 1.2710654498273 0.506621482303272 0.709027699653213 1.31210475941577 2.40134572326424 1.15419694774779 4.40733345910186 1.16500415670759 2.2580727530558 0.517434691229607 5.90232331396613 1.82495559159382 0.824523824770977 1.59841197039478 0.513927249251879 0.245188747985829 0.598680930433273 0.571650504256803 0.572153462990303 0.839120243367874 0.805093163903509 2.04823892328293 1.28102897118458 1.00378228659879 1.80095122546432 0.426432391050127 1.66753389259945 0.209208564029162 2.91595766100535 0.260672469326613 0.994254801271301 0.438645899859405 1 1.45954436023338 0.947809867983429 1.5727709980079 0.316296659114786 0.193022154299524 0.540938406305042 1.54488026893696 4.4567983370862 1.22437174869602 1.03619964427121 0.943195201411377 1.1863902297468 2.69758114810514 0.459495437429291 1.77915473163707 4.21739874912236 1.06894815394299 1.5637272022906 1.76571469120653 0.661135966741724 1.57784535432399 2.16879186635305 0.594863913258945 0.211799164966195 3.06602547793484 0.440800926302526 1.20618700395709 1.02143153432414 2.13354033217892 0.585256466838935 0.41883897185958 1.61628563994547 1.49701218973971 1.06139581144644 0.243280527858595 1.01732063417339 1.91491897449034 0.287770395126643 3.02703158001619 0.592323735117631 2.08690847685657 1.32709567581258 0.862543651198868 0.448492998789045 1.04323102813465 2.32071574985447 3.40605823544446 1.5353313221907 0.935002593254768 1.14595680139476 2.36370851008716 1.26292926443295 0.532875258964902 0.404035092881213 3.3025710433538 0.820856922144088 0.497328687974625 0.713183714936974 0.360620488847274 0.351556154782983 0.62888914657976 1-docosahexaenoylglycerol (22:6) 0.402216450162064 1.04528223070931 0.161090730922888 0.736383137767281 1.9386385336315 1.92333193045051 0.406056056684841 0.304480012060604 1 0.547402258850725 1.41752933490791 1.1076220508053 1.80727687881605 0.323612088243423 0.281560152265132 1.26012745295108 1.5870467850951 0.235552400814091 0.485660757807985 0.153585831302294 3.26081371391241 3.60593230985703 3.9727505716224 7.24294423226714 0.325160493982261 1.13440821377422 1.07077439131637 0.304516131058569 3.19080096233574 0.443946455941104 0.544365122239252 0.671216827241174 1.25806884151153 2.68715997441359 5.11318469475457 0.239760490098455 0.952342013808748 0.716740414438297 1.27043121014488 3.48738814188588 0.299714900566902 0.204840755370618 0.273374526574476 0.338501172710467 3.73373647316394 3.66684032013787 5.56805127833134 0.736365454829215 0.659058886111899 1.30825029839821 0.315115105873664 0.989886333911446 0.250652299589606 0.296413286468878 1.64024935759206 2.98714964313113 0.844766985617536 0.932393846072684 4.08162372590009 0.701289651791818 3.25365496593974 0.199820191722225 0.383774171354211 2.89042465967217 0.776666249019078 3.51719499086671 1 0.678668539486381 1.36589885454653 1.38469739234034 0.567009357504138 3.9691226543043 0.578745254754039 2.00103312824639 1.43658241176096 0.449514100002418 3.6161444972732 0.423901312072873 1.98457341695078 1.82400550415559 0.536167182131717 2.08033341466471 0.972958417687156 0.623165373058214 0.656207891780915 0.379514165946774 0.939054226044064 0.425490571056143 0.676232994599157 0.635534336127176 0.43192014578099 1.52189242716995 0.649285932530131 5.51826328943637 1.14581176403351 1.28365744984382 0.537431115624636 1.33395540842637 0.690553910610227 0.538875297024371 1.04219779350184 3.20238103088614 1.89230847011292 0.725108753234021 0.381391381951909 0.647492246042789 0.787788863756762 3.44026430497946 0.35652156710168 0.27694431438752 1.82913157877383 1.23674463487709 1.57212444139635 0.634578142962968 3.32426158807199 0.676630858881276 1.2997566653258 0.290616777563092 2.07416981550967 1.20805664180564 1.23235493890255 0.925197118671265 0.820057635367277 2.61383864295308 0.390762074961148 2.96217651545626 0.298725735224618 0.184244134799056 0.399875584981393 0.445012298622422 3.10089266676778 0.897205937629828 0.410173895267174 0.798274016384974 1.19403687168767 0.799247794710823 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0.256405548212688 2.48110088063723 7.49951651131432 0.67379283941332 0.110132766119823 0.962005813846314 2.67343680440535 0.949077776871441 0.453114501273327 0.447647184947182 5.11632756211559 2.37186193203761 7.23516516959721 2.1100818998611 2.25056969633708 0.711956474151415 0.601323081506757 1.5113158415618 2.40334440178515 0.545666811142971 4.80497018073594 0.696635418769292 0.776261448652615 0.370370335166593 1.11654995078128 2.62795459227266 0.182957176485986 0.159685402270882 1.03799418615369 5.54542218649103 9.07017855842603 0.314978073935 1.06991351291239 1.70953940987713 1.42438398698058 2.1803848839922 2.48550298035684 0.207833431708398 1.09076917127942 0.0851287004616183 0.357306391981564 0.563315994806397 1.02931992745347 1.32713291782164 0.552728754790788 19.0692064678399 0.20205630893535 0.0987596293686311 5.36030604353191 0.173925152824476 2.7165604148203 3.02029675325179 0.232248712638111 1.25023361404786 0.331479389567051 4.19891625505109 8.24695378947241 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2-arachidonoyl-GPC (20:4)* 1.1749470084765 2.0865773856713 0.479116849478292 1.31881539613769 1.07053104102294 0.817696698132868 0.254544938917413 0.300772711589041 1.09342449637105 0.807111713823 0.885081548723198 2.55403330699333 2.52358375238854 0.232832701474138 0.430062575759724 0.2473446230093 0.827192418205279 1.17863589742268 1.58856362785577 0.19981231139293 0.145600468190262 1.04048367629043 0.420688457967076 0.782019104878314 2.22513007791569 1 2.10110004945732 1.7383372456611 0.328867135114742 0.133622858478579 0.663999150932492 3.73505312472742 1.31473591895015 1.06509460270645 3.19855160083171 0.4810003793515 2.13966255615932 0.581263500323055 2.3559737467976 0.141559891056254 1.53116196461349 0.824304825385717 1.68440033881805 4.67043939527791 1.5806295156253 2.47282266962988 0.23737645815037 0.554762593517074 0.443953847299762 1.74494991925067 1.68457529087945 2.04255723328616 2.48686849090278 0.883532738265365 0.531527458523947 1.36305151039059 1.40563068485937 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3.14423036394071 1.08924980209631 2.06940400241815 1.28763677873414 2-stearoyl-GPC (18:0)* 1.44512426202177 2.45558214159285 0.479305244165642 2.93594558278869 1.88529738001073 0.411597382675259 0.296119157553357 0.359991169003201 2.13631024205305 1.22384445264949 0.496361705448192 0.637780526890766 2.70035559987972 2.03193410249285 0.240119979749611 0.881258417043824 0.39838956115275 0.808075946572469 1.05112736048357 2.57307231139922 0.190108065516861 0.393300775376745 0.95384281586991 0.803436323564678 0.698159879106699 1.354009234482 0.842536170925466 3.98449246510424 2.2037539349323 0.387279253628512 0.28204011251908 1.97197863812326 4.00539421645839 3.43549451678841 1.04615718413009 4.0160527728188 0.738197223443237 4.78197680134623 1.3757200025118 0.953779026067564 0.473872495571045 6.30999006061944 1.24530860603201 3.19149767499684 7.30445140898807 1.85910436476448 4.00921945733646 0.0881509517258177 0.914353873662671 0.489106324731678 2.20348138380027 0.710755779841769 3.92631918795197 6.91732617342729 3.04095379995776 0.373386436392722 3.47707884967052 1.99794425447351 4.59353261569357 0.343001236238208 0.794950008150673 0.178393169419184 11.8523351835677 2.85730867961006 1.25013114019982 3.18004296704781 0.289156053349165 3.08290661232039 2.31541580799172 2.3788584871971 0.673229068152943 2.20482798909269 7.57382955389498 2.54415032250658 3.49124706559928 0.517903888029421 5.47742707685165 1.88269437768504 0.258841259783186 1.39483951420723 3.330012172094 4.95006587138936 5.71998158011414 0.428333387248289 3.6673783440751 1.39255034863947 2.77887510568917 0.761508147184022 1.8284857445687 4.78273731936111 3.08469468595173 0.505204061762436 1.01030663655041 8.87673836087119 0.144459096626383 2.976729671049 0.120950273285393 3.15924638309937 1.90477096609891 1.55926300159144 0.263064386508068 0.853997032774584 0.13093912874701 0.14266150859119 2.26606015513553 0.0656988615064346 0.166574376949264 3.63129465030443 1.41254581978324 0.109842523930311 0.700494178136281 0.199826584132385 0.569571541022621 0.671560876010192 0.885775775947207 0.17369178532714 0.823713319594534 0.89195252693052 1.09905636142556 0.694579390405802 2.09074457821696 2.66227608643392 0.405019292039552 3.09477805115832 4.26670142595542 1.22681641069749 1.97603829103547 1.4754810641163 3.09436576032456 0.537902530641138 0.137937924223482 1.71073675103406 1.78077925504755 1.34729159808367 1.81141373258309 1.22765431253041 0.124858156095847 0.207222447396447 1.85427231619282 0.365408925906263 0.332175747530854 0.988524994656076 0.0957459831772654 0.137077187821309 0.199916019528631 4.42748850818588 0.375055897122654 1.04048442270086 0.0758183814476736 0.224688355701697 1.75960272923846 0.873424811154941 1.17318244757405 1.84109676973303 0.0638784389019871 0.0718350176999627 0.921790331716519 1.31021333196326 1.95172328054108 4.27033148817328 0.798790021546953 1 0.528655798680289 0.127040126046822 0.435398783551752 0.231273591757228 1.19052784009712 0.419305486576128 1.42731344315493 1.39711028526086 0.436255079898792 0.127140344434106 1.67363691893157 1.52165446602946 0.568874452366771 0.436670542200504 0.344840053356777 0.583475890817776 0.724531368038073 0.297565517770686 0.41461298259435 0.299495038872683 3.29346607829593 1.24360489344819 0.337940841973998 0.463957852459505 1.22765558111759 1.29551548088651 1.85912529645297 3.25335144875828 1.84927471699406 0.529944048962391 0.19670966542916 1.7519290453818 0.760159004717241 1.39636372170496 0.11453566220568 0.362423940269841 1.40320267519665 1.44203856885606 0.151613294032503 0.660923772499187 0.172857689255764 0.471124101443843 0.134160071599061 0.364323649573089 1.27869401486911 1.49802385831911 0.304509763998384 0.230888575547855 1.17208448536907 1.24766944677547 1.82985518443038 0.0899865973764349 0.203383702587347 1.28434176499803 0.542168155036577 0.720215000155402 1.29441434721358 1.82128207226253 0.420805590917423 0.457283181007728 0.168819776259279 0.935446038424237 0.136118135912625 2.15467756636772 0.588629526239774 1.74823301663054 1.60178540959826 1.01272710089137 1.37547072513078 1.10335814055565 0.630673042585837 0.218028273002499 0.207575114632709 0.495314156100921 0.174543007325457 0.132275585341983 0.161142286641079 1.88400926829794 0.264293013192672 3.59843887661531 0.327705246305716 0.110285895150001 0.10909532608082 0.452222152449927 1.73936432364957 0.829188541866866 0.280416121967046 0.992370716694671 0.252657531570378 3.66696922470929 2.52809000879765 1.6788279776754 0.228638101889117 2.23006716534829 3.67448433516835 0.33761164360058 0.236951153684897 1.24142546067158 1.56862327210497 1.8306924519697 1.0484695447104 0.813336910749183 2.08422848016279 0.10450938342223 4.23730445521475 1.1170119443826 0.574318594253173 0.989078732960495 1.06264600645584 1.98589204196233 0.379704634846694 1.24163287467564 0.836822265227328 0.614633660565397 2.56602266838433 2.50383842766231 1.4527854051582 2.57001237506795 0.496419729828988 2-oleoyl-GPC (18:1)* 0.676343569921784 0.985786609100125 0.507632019389088 1.21981534633599 2.61981064848959 1.05822782517446 0.319338090421657 0.50911849157246 1.9035243470135 0.68790013057749 0.686791184123317 1.09964570880031 1.94296446560299 1.7178269686948 0.557274813260605 0.58830776780413 0.329898622738595 0.651057411645112 1.06862294235742 1.52661655441833 0.29249145473059 0.366912982866445 0.827834258846809 0.582140146380366 0.997182424167986 3.67464244011802 1.56722533305184 1.76240938957995 2.00346112418899 0.411135282694323 0.230963109453595 1.00281757583201 1.76883694907138 1.70679254819679 1.06176493561403 4.76776691550159 0.964042923501907 2.31843514737807 1.44341290081424 3.38971568763938 0.296390778678179 1.47069190510649 1.2680872850625 1.5229179128567 5.23083723062535 1.79115971273503 4.41694879644177 0.172597383855089 0.728953220766995 0.998978315400946 0.823912519116746 1.48021496427546 3.64163118690326 2.74715970661563 1.20925283672374 0.393040050954193 1.90515773514937 1.55283463294062 2.83987930506069 0.395290204831571 0.832753010361672 0.311417981954913 7.44883239324072 2.15387559364541 0.908900002396764 0.91875554889221 1.37874717551506 1.54923005216277 2.19921498314361 0.827242746855267 0.654879939948301 1.04675297058558 2.78192273545279 1.75168194221554 2.74641339495568 0.429478010195938 2.53916746601312 1.39866811288455 0.313052116368525 1.40472988719399 3.3883355082696 2.36090173418658 2.57577829826663 0.901382066184356 2.12283902360915 2.27896018158296 1.29249578143956 0.733352813419025 2.20970312247416 2.5774958094868 1.83455389838841 1.055423903493 0.664645990238539 3.00803502539805 0.358124037150869 2.08354789474838 0.385203141087325 5.17462341475703 1.14232063915079 1.09999428856126 0.450461938105342 0.569389136129593 0.190075406289824 0.194406155707079 1.11749168909171 0.232186813001886 0.446341543016568 5.16123162076863 1.07458068095648 0.193222052068943 0.800199339410916 0.523596911131543 0.75523603795455 1.38954612930187 0.399907291110503 0.423165340541985 0.696489810946278 0.914984469476185 1.32716191979814 0.867819459381727 1.97991026921784 1.82646634815197 0.559255411970666 2.24927344889818 1.63935706538119 0.846672857458298 2.56517593016134 0.858818078947382 2.55148862021329 0.573252006525319 0.37493682995772 1.29515873975065 1.78417390922994 1.27315134241758 3.04253568501823 1.2605150391871 0.206926955288104 0.314304808266492 1.50153035961156 0.500644321682508 0.771948370633618 1.09664952725096 0.16700221369246 0.372558933633592 0.371710122046307 0.981373060469348 0.290794588615777 0.895469962166818 0.170925513149823 0.17389342149347 0.486208405300011 1.07813273689595 0.941483760390866 1.01654787384044 1.98358292830564 0.216550219609919 0.265698424815793 0.816604682257875 1.78734197290432 1.00660053636529 1.49544920720641 1.04916758330159 0.899715549952906 0.653303939821834 0.280630012488673 0.628317925197491 0.438403408097086 1.25177883269411 0.640311181620182 1.1534890516309 0.738574955239149 0.416734362514196 0.389593299666442 1.51421000858246 1.73772792847647 0.481701723171664 0.186008555939208 0.555056994549146 0.347494896676504 1.0285421501629 2.64199631102252 0.309611994429307 0.592872838386172 0.389799064445937 1.88128953067782 0.982698930176132 0.345577740075483 1.41902582233244 0.971023117558238 1.12329338895867 2.08799975726385 2.37276163871376 1.92921538600402 1.15660331559218 0.354885855366993 1.53616462610219 0.658485285650979 1.58003892957439 0.354107161889201 1.12552849931437 1.48475912772052 1.16504018150136 0.359807381728598 0.6177476839351 0.226950137609977 0.490720441902174 0.239863598604165 0.953359728339496 0.396825663942004 1.64953031065637 0.662149020615744 0.329154294007528 1.0423355296875 1.23557441010272 1.34900358341786 1.81351744564062 0.156125492547847 0.232630979353659 0.357237489271929 1.06668716665213 1.6760216973478 0.906506042651189 1.06156497500991 1.58069701990385 1.08652957173898 0.419743576798708 0.613807556131459 1.5545697374319 0.399845587174148 0.734357159721914 3.35700061754931 0.240140756367872 0.729464955478825 2.28746716560164 0.977834263226953 0.925812745381511 1.14263145360705 0.93930576442253 2.01606928587128 0.339060325541809 0.350421754054229 0.357893539801844 0.308475571105628 0.518188892577526 0.381403759452559 0.614705577882861 0.455604272768115 1.91979686656192 0.416599225794081 0.292158704564103 0.626417086992861 0.405922659980204 0.384249279823272 1.27968660519731 1.56984018680484 1.378032990698 2.19377330789703 0.408211315074068 2.5152579556007 3.01288031425152 1.72525557413473 0.415815177842473 1.48863831651264 3.16001513531265 0.762212407386726 0.662206135003113 1.66838800251099 1.23523248870334 0.349186910402315 5.59641342045317 1.13134396782828 1.45745921548289 3.11767527105111 0.424712018549937 1.44986172708808 1.49799946659242 0.464061281697848 2.11685909625661 0.100359922630403 0.926601892831991 2.32581769189542 0.967060551959559 1.68157760136911 1.04094591624481 0.724486314729852 2.0555238536709 3.24854141583507 1.00102168459905 2.96588282269501 0.699404939476598 2-linoleoyl-GPC (18:2)* 0.46848307078298 0.945525549845733 0.636870649001626 1.05447445015427 3.11977007132393 1.25470697468981 0.503853776763438 0.571166561710621 1.22207931170702 0.861449394454984 1.05604511479326 1.07079471473965 2.05413865678694 1.42108870006541 0.339917192648684 0.500710185298556 0.30026699460836 0.767541916202376 1.10116231162699 1.73875982955553 0.296187281928718 0.359635544724707 0.806162819205175 0.669533234494618 0.834176610627585 4.47640171462456 2.60744369770283 1.70988626572609 1.7678628639682 0.505519311865368 0.210853350623982 1.07962813040716 1.96324610811953 1.73447072320136 0.818407895484703 5.98231761613007 0.704308058705304 2.37676975296528 1.63075465446042 3.78765076707324 0.264373742570576 1.80496429251709 1.97012085745602 1.83999314389529 4.68987618161494 1.56272326191278 3.61122313075535 0.192273538478632 0.468243291592795 0.538013648375439 0.616092286444854 1.9779368912683 3.32750601653896 2.27355001713561 1.14359082156662 0.415587328005336 1.56142052757577 1.76525043625316 2.60146983793147 0.38034408377624 0.745311994172683 0.439884253915205 6.77987521107786 2.15575826722189 0.758389027552552 0.865021182925582 1.65666269053537 1.83124007188488 1.98789945905818 0.619126726925574 0.516397935836054 1.19307816303664 2.68056981972111 1.52238390706219 2.28039979427964 0.330267161966262 2.00003591824672 1.04218653908803 0.244049411968983 1.70647571558965 2.43996967606673 2.250557314402 1.94130400171142 0.443194129655751 2.11469924470255 2.76862051693057 1.14286761790467 0.684846696549531 1.26758563407849 3.31071190988577 1.37376741558072 0.939662277289423 0.875652425640157 2.3084480367654 0.296140174959083 0.994450072566955 0.640946410441155 6.31461462280211 1.06425746422575 1.63641168526646 0.604815631918741 0.505918182514383 0.2485548256211 0.200842924947521 1.63693966488276 0.18941291997945 0.56901370076397 4.82418008925033 1.17913071701474 0.27914451669347 0.657981336841783 0.590720232497136 0.845537674286081 0.920283917921409 0.330544644380046 0.381134843518808 0.877575633731403 1.13523899173201 1.30171634318377 1.67540847933031 1.13313786735131 1.79953933452794 0.509659635530293 2.37221483540836 1.13539606427207 1.06479828508052 2.44908937474056 0.852995828365495 3.56393722420998 0.714648419452913 0.391683455655435 1.2140629799471 1.62035697340198 1.21492539007821 3.91922172417448 0.758378605677856 0.306268562219569 0.298294897552506 1.41446781394758 0.379945074859302 1.02825305093403 1.35160622956394 0.167349997352658 0.310404929844499 0.40166258678188 1.45297738536938 0.323797597143736 0.934065358367793 0.211512319167679 0.151698947027751 0.592530847120683 0.944727494496645 1.14981044750134 1.25610407805165 2.14149016244818 0.193120315797692 0.259321738811629 0.829963113077247 1.44777091453905 1.04513667404666 2.19443719410751 1.06279374914566 1.29345440201842 1.42208639045535 0.344740540450506 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0.864739606203882 1.98588394293391 1.64527530359061 0.368031197137483 0.624617379946285 1.24535540314184 0.400934916602205 0.514211947618541 3.03964583492104 0.274856473570731 0.531401713300369 1.83933284369133 1.06481689557105 0.940412093952828 1.00924950684526 0.783816540762046 2.33211034494823 0.251077477612278 0.363261328414953 0.417103896878528 0.209411008682073 0.566870888884484 0.354033875000965 0.51544265935721 0.465869523525847 2.67019465735621 0.317591929076909 0.501918974204651 0.631542529576955 0.23376804647635 0.329510459421361 1.44795273903151 1.09826813566713 1.15914844722907 2.92398573059249 0.402353222085404 2.59742056740222 4.00923210603662 1.49248317634919 0.538058127447803 1.3407475666551 2.8471221714497 0.758291322477276 0.391144868059532 1.25692163690058 1.58435125737592 0.395352513863187 5.66390663786879 1.05312894920425 1.35625438567841 2.93650482146631 0.415405131303059 1.74499682551558 2.18310117211661 0.647191346642998 1.14191010816696 0.110724974450123 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1.84093044047086 0.92266852990488 2.40980137360193 2.49022306559417 1.80150083589728 0.280229943510431 2.8202185393049 1.61139036446521 3.41924448817665 0.556612216566783 0.94508135283129 0.142739299426835 6.56366410581486 2.05426940958046 1.13449423889488 1.89578589401438 0.346943558044954 2.69701727500339 2.20255648272467 1.25802905489912 0.768786153760223 1.35885401818176 3.36499551280103 2.06906941869118 3.23386865587442 0.278421685726502 3.06898065408591 1.94793370252071 0.149044662821367 0.815389688330113 3.16374772235527 3.2416832715749 1.77029673259605 0.523363676716316 2.49868739869157 1.83206888223686 1.58536616274619 0.840213747427414 2.23074388775254 4.01479250151613 2.31596790012212 0.458235519395292 0.256414160012073 3.28920837749337 0.120902134016829 2.0117260160365 0.159265885950211 4.47738863506539 1.34097358091574 1.29094934916634 0.171913021750659 0.527979210398052 0.070389908618744 0.110699369410035 1.11278492838531 0.195270446842152 0.206850713936966 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0.189783016121939 0.453903524417704 0.2531252126505 1.3801051396287 0.552624780667459 1.67278250563373 1.44487406137075 0.484094666929376 0.124264407433885 1.9127983856075 1.89807779894487 0.398294319666435 0.0630310547134584 0.902227438401104 0.311067585878486 0.75349894127393 0.924103383641838 0.349856222507492 0.619527157580374 0.286978424330319 1.01414179627781 1.3958403240752 0.574196865895366 0.515079695233431 1.1596291011188 1.73458327445093 2.24578662360581 2.54957037507689 2.13977272704822 0.964148441627986 0.339250305715743 2.1006341123253 0.826960697939862 1.64525932515926 0.187456621414781 0.400450297621089 1.32009501679457 1.18526573032286 0.199028703538044 0.731587433743008 0.163128176456923 0.243062157040872 0.0972834672126551 0.345612625222656 0.491873550995435 2.00182716789062 1.11267795927435 0.509087900921427 0.265813216860624 1.17848744491691 1.51589545465668 1.80705205294751 0.0630699474403463 0.0881379186898717 0.277688538067837 1.59958007144577 0.984966549855833 1.36318742436134 1.53821434797853 2.20769184677203 0.675519475448317 0.601584740322887 0.175455138749521 1.43053760389022 0.08154421850442 0.213930601432556 3.20601717336862 0.127109277752748 0.977610800594929 2.89001162237736 1.77675907810012 1.03689353347452 1.69754757648778 1.12052825016118 0.383588409504513 0.301231282204864 0.325322080747341 0.547904592246027 0.299086763210382 0.357571150899293 0.27363607398074 1.02672983093885 0.276382385952512 1.84261129493899 0.627623844334937 0.113695577030475 0.139166926257273 0.206543015454722 0.63056433770075 1.71659981943953 1.50816568041993 0.45708296250473 1.74183380449134 0.291827991750339 2.3654017978544 2.38798210223317 1.83874319028007 0.221405907726187 2.95327112246922 2.82950842556738 0.430831218576589 0.713183948570832 0.716224411485728 2.223669701513 0.112846541464262 0.494535868224668 1.43794968833463 1.40365460108721 1.52677288671161 0.148525227592307 1.13058949943226 0.871462162471177 0.451557485778824 1.86810465891685 0.0470331044561271 1.30521530299537 2.31097907528957 0.465205784720177 1.72187782778419 0.985858203722192 0.731819774038902 2.95454385732138 3.56684238671625 1.44803442000685 2.72372308728434 0.684250187033656 2-docosahexaenoyl-GPC (22:6)* 0.784668162809321 1.59616802934285 0.760331787758653 2.28102699977261 0.925171776290423 0.361941294525898 0.24082689893128 1.06464324906821 0.472445600055364 0.866919099546214 2.05091894136373 2.87424690308357 0.228607302098884 0.30498571414448 1.13358708440024 1.70545828431324 0.479587539174881 0.956048997024192 0.743605967434181 1.60833028502506 1.82507192359786 1 2.89848243680116 0.36392253012882 0.740958388120496 2.76540549090945 1.19945427043273 1.39044380072962 5.9246814105923 0.485197447224432 2.24576453903428 0.946774054447713 2.55359247582817 1.42701974951369 0.686324348151058 1.23566219803176 5.11563431298332 0.942814090094579 0.160276742336403 1.01023649587474 0.855809864216104 2.2745503416158 1.88275343292736 0.571981275812835 0.279257740257002 0.98763379552881 1.92335444675489 0.385709631361576 1.22708826432343 1.88699847638395 0.522803932654254 0.981019481203944 2.12388004637926 1.84053297814234 0.544299855304388 0.806987073219813 1.91732466437326 1.51505888440641 1.71464779554798 1.98000134154872 1.02330461780235 1.12726027003459 1.24814339239342 1.59720239178972 1.52525225907222 0.324427206608086 2.01843671243903 0.794961047174603 0.361513841908066 0.806812192761386 0.836616134998131 3.44026275189973 0.858126431384574 0.712855869754784 0.795926483130025 1.14880889638453 0.948999587952892 0.38874009410006 2.34208534166371 1.20153415678872 0.983060551759824 0.336951522178675 1.20148863995707 0.271745067412823 0.464801115401938 3.67244171449927 1.29185392450914 0.993637226060542 0.635609015207413 0.569626378680874 0.449725461636498 0.673376007359353 1.83243098210949 0.535625305441897 1.12097655164483 0.876234943511216 1.51666874287302 2.20472512624932 1.03162701112527 1.32826020295716 1.78732380194908 0.760313155801719 1.89554126699694 0.434029341587052 0.483506137585404 2.09637350632923 1.51169063886467 1.33568663338348 4.29244085207509 0.616393725384977 0.21274327548703 0.788952825397434 1.04798432304493 1.78439635098748 0.299804996310741 0.590607242446602 2.08938787048305 0.239643722989354 1.16230583477869 0.231064998035589 0.783258430196345 1.07548607184952 1.10736701898291 1.77654349971732 1.00995381239399 1 0.921021110227393 2.03840183217226 1.27191755224853 0.679683681976293 0.33978554385427 0.375137748306295 0.242372337265349 1.86710762095499 0.623544659198712 0.911891392048449 0.776739940780206 0.408954358595974 0.221372308517876 1.59965071820769 1.01765813505563 0.835698611497073 0.336132219209061 1.1831788955221 4.24930526941173 0.237880544668781 0.245060225955135 1.42972919880794 1.35033107505965 0.553853598704447 0.627689086501145 0.926428030702301 1.04445557078107 2.28074063071955 1.00138706555382 1.59027185526606 0.706021158139847 2.21411596730454 0.878436520789214 2.00836311890913 2.30343436472877 0.879131251377483 0.692644000881589 0.320735551999387 0.436750768994893 0.358387554260855 1.70417173740142 0.324281073622277 1.932941728873 0.556984677597095 0.369855400212731 2.48501777552057 0.933344193489656 2.6163577910442 0.887312302960032 1.53310271471966 0.282772118784557 1.37734411682973 1.97231378824612 0.725444867138764 0.182203877075807 0.655854422798662 1.18839656180228 0.330047337504911 3.83204049560643 0.720641643588835 2.05198501298428 1.50490383970409 0.55052607874891 1.01979263489752 1.08357608976878 2.064066138352 0.355524785112642 0.651353047711222 0.274080799563038 0.603843057964487 1.92700298015466 0.452609791389174 0.294556186935232 0.956969824736242 0.360402272966835 0.530802916910222 1.90365044989795 0.393814023017143 0.897879394769877 2.43501873376966 0.843997048592811 0.804483647479326 4.84836666443075 1.26027482583823 0.372490585202718 2.0082409421505 2.77299558247171 0.868267102350585 0.247333671914678 0.387161378728787 1.7192258305624 3.07553398430388 1.27320639727091 1.5381311268051 2.93380175742883 2.21456155313012 2.04956064279349 0.409419109403298 1.29068965186811 1.34978487307991 1.55671157660722 0.654000210814799 0.812564082907711 2.64071408721983 2.91949509855592 1.39059670170664 2.97569161627874 1.12877190796976 N-acetylcitrulline 2.47124726895621 5.14120125653185 2.42300721901713 0.267632222792763 2.43932048610062 1.38060178612781 1.10916875585224 1.05592472890929 2.89055688122351 0.268125572638214 0.591763071253813 0.502267899034444 0.208372348244581 0.813058164939942 3.27952799508664 2.1323813694989 0.207730490027285 0.693468652148086 0.613754895742089 0.312370999083779 0.984955346804805 3.78219107741565 1.59005144934103 1.0150446531952 0.793689149323909 2.65436060853193 0.340902226115323 0.511878152656538 2.04284592382276 0.428003644747838 0.282326958749595 6.22817488375188 0.345367127777269 23.301113819177 1.33202042972292 2.33325985509537 1 2.24683281066738 0.944841411780364 0.701248575492651 0.824795993911011 2.08874784764218 2.36641240423567 1.07636191220876 1.15120573629354 0.757775522596638 1.05115333105967 0.281769633246546 0.792421204987647 9.74422086726503 2.20401856642571 0.399573271667069 0.289147957443623 0.503194223778667 1.22571682873471 1.09636324313533 0.885461290832411 1.06754868279861 0.79714183518138 0.643565385927115 3.02741292828801 0.51777202891438 3.1895696948019 1.51638703344785 2.8612176314498 8.12136386700716 2.47269105035062 1.59089812588902 0.667147741168054 2.12530673698395 3.35606860926491 2.12974038613507 0.286461149421463 0.142284369099212 0.952872721828028 1.11071229526606 12.4955580325578 0.611082459219578 0.193138241679629 0.28293003485364 0.862777311029222 1.87017227180848 1.31096683497342 0.196943859853432 11.6572489747706 0.592703195055608 0.36541420930484 0.998885348993903 0.739113436535598 2.45566766763436 1.80553915003702 1.46474292321386 1.66578354142925 0.45668665829292 1.35985343171099 4.27460758461782 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3.12190039678249 0.716791302394836 1.82030827586781 0.917203889632914 5.03825997986974 3.76463395360057 7.38262059442508 0.649163595830872 0.523977474067728 0.636503156791469 6.42870808621077 3.86063535107348 0.95487327083524 0.92172488084048 7.24716970145653 0.952901835846844 0.803584351630801 1.87019722668175 1.13152881871948 1.38683380886231 2.60696074598435 0.587990883152965 0.592191620153556 0.46040077526473 6.8431586214928 2.15773143565386 0.535215485330694 2.99119924802649 10.4719382450069 0.584605338679222 0.563339627506925 0.824051506858431 1.56720347371836 1.31075471855062 0.340958433499422 0.279349010539275 31.7019348345076 3.149912242029 0.12622590814943 0.726752455975444 1.18099769583337 1.82852258831946 1.41243750883818 0.55513779249191 0.368558523336966 0.391966194465009 0.686579269154945 0.996281723882646 0.351514344892985 0.681929344435479 8.9875059267824 2.5817188916709 2.11332839781395 0.584023058302902 0.724959864245489 2.55712586406249 1.26688405134049 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0.447225954512912 0.725218951972774 4.275516608966 2.02051724645214 6.88534566460383 8.83842668418936 0.162514833812265 1.57248707864618 6.5404313329345 0.443901219069662 2.71279287584712 0.309156262565833 0.85113227347175 0.289600149073684 0.408265743455959 2.0150937104636 0.127511940605906 0.189004835087238 0.76524327452115 0.240278336259231 4.12243657012838 0.51555466198523 0.359046909172935 9.54056373390348 3.00468797504977 0.817409256298854 0.279042397732511 0.72883300805194 0.134269293763424 0.652481782607416 16.5536910447908 0.218216411835666 1.25124800172612 0.324426507654738 7.14154644331767 catechol sulfate 1.91863690962887 0.665870880276856 2.38482506688219 1.95027845112362 0.234867783658012 1.0487115764408 1.75671170317372 0.325085503032419 0.251733267224699 1.96993205892636 0.404888889135932 0.712091710166259 3.71967178397151 0.730081670473286 0.935567427193883 0.572722184208522 3.22352963410316 1.888149860566 2.75700574578155 2.35343421199638 0.346859108011466 1.27972401127478 0.611686998592042 1.74855966369085 0.951288423559205 0.276271650901944 0.0469250869482324 0.559888808538242 0.205635835178279 1.39232843392018 1.43101476938777 0.181519338720965 0.28649088217785 3.40860805565576 1.90716257776982 1.12263466623385 0.851956888087558 1.70303445564654 0.878559000153421 1.11890289494713 0.281977831330908 1.48271667386103 4.66136489063148 0.253707240070258 0.0650750512674407 0.348234196891694 7.00588403100114 0.40605267246304 0.286618258795084 2.45758163102324 0.270676090358667 0.298347056760528 1.02973572152394 2.08662858378255 1.14046709176854 0.443063147477904 0.479003313933183 1.27069911556545 8.400884361837 2.40908909131143 2.23908696087387 16.0605887715034 0.33797901216046 0.858408308657987 1.3674471565445 0.288848553035413 0.987234098246861 0.265968768609518 13.5570793664336 0.3601059935098 1.63156372904615 0.996830034952264 4.49032686825922 0.485217211317834 0.593857892786397 0.385053199134349 1.49745862309748 1.05526558606544 0.351064115990812 0.437611263252521 0.0913688679329884 0.27828652712745 32.8404040511761 0.239329816212799 0.0700853362637554 1.27690622657337 2.88543893194064 1.08752171943519 0.163782416158557 0.178516609535877 0.187583693597029 0.723982304037918 0.13265185184467 0.534380148102977 0.266895109034049 4.59751041769422 0.365613622972661 0.959161281393961 6.46851302972215 2.40837022011855 0.389529784074458 2.70475746822582 0.34882558115016 0.262875150300067 0.75889094122925 0.0866208279234196 1.08472330851378 2.09090933327969 0.558926472758878 0.445720983452632 1.2773725476034 4.46653722460944 3.49390643961712 2.40991799875567 3.79580277141084 1.34688395029173 0.273865202683624 1.57310878828516 0.352227979601121 4.09096944118793 3.03075173906963 10.0651579420119 0.400943985004046 0.168060257208526 1.10204844358085 1.21545606996561 1.33575380770268 0.397158641008669 5.48584325457178 0.330072883262444 0.242152948935181 6.26772837914905 0.882619677147822 0.702572254916669 3.88745036553122 6.50862584838798 0.384289731751494 1.00316996504774 1.83992585398674 2.97451982143104 2.76891393492786 0.974185350006168 1.97306874866242 1.00598921984055 2.77385441719203 0.131325115192686 0.461723744538482 0.36601450394131 0.292839912038863 0.182188039350321 3.87275107351997 0.146799023634284 0.383097268410652 0.84692236603147 0.928464075708819 5.60345164815642 1.93159089879016 0.144521224756799 0.918516701636704 1.43196524017836 1.16064056610016 0.418692783875957 0.407070628973514 1.80317762395862 11.3516838576092 0.58102970178964 3.90677457328839 0.634760839600835 0.842308599333045 5.6937104587518 0.886249419219455 0.617834161796432 0.574363540869621 6.19496242407438 0.500701299324537 1.59256242194152 6.66067461916914 0.364084264500972 2.56673129074704 2.2835818399467 0.120989463423005 4.15789911226921 3.0799224317139 0.589529153910904 2.53004607707434 0.386961140479695 0.292500108460843 0.0884904747143238 0.925069917858181 0.362011026407973 0.148134485627787 0.889004688174472 0.101496565729815 0.127241655362098 7.09939884820645 0.842644524981501 5.56997590593888 12.3781558166641 0.145785914535765 1.78505848281338 2.36104590668781 1.40978251359154 0.278551680561369 0.640266530098914 1.41787284414383 2.22756272369291 2.77695336765463 2.49258527748889 9.20585043843629 4.72207872536333 0.260296327140199 0.0726772474359009 0.365181718567503 8.13405226915837 9.21354958284385 1.65293402938937 0.227536062927163 2.79994609677907 8.07903850614397 1.51821330212246 0.0835989513108977 4.40841287734375 4.32395108670493 2.17442975651692 1.06321097900028 0.748265898965877 0.652252240897954 3.77120894211778 0.517207221771278 7.15165734226582 0.219513596142236 3.92112727534488 3.5024582437875 3.35877416707526 3.65395247064104 1.7128170177122 1.27140926141681 2.14311499054876 1.49579256760867 3.3864267133117 1.540831811044 1.08514600283622 1.98871231652243 0.0554466369019415 0.991383482880032 67.6836627432522 3.61327202003532 0.685835595660888 0.835196476513198 4.45670231049467 5.07361304031374 16.0132625191079 0.250168144602177 0.469839766374133 1.72269652801695 6.8236019518589 1.04260850871068 0.145195015018494 0.224429356605435 0.486513409274505 0.378802946160038 1.16331973068749 2.51695079367888 0.117793079980116 1.02255234174836 0.088247134634201 0.775582519553854 2.03082517736074 4.71429523598777 0.586405481647335 2.51566913795807 0.634627051030887 0.789534340641696 0.114956859245457 1.68546113308739 0.11324669230786 1.79527052557822 1.81193350417229 1.2367328152581 0.773167054176857 0.918867169521025 0.0255875487437568 0.792388981541782 0.310138386340187 0.113855527249363 0.733040178016357 7alpha-hydroxy-3-oxo-4-cholestenoate (7-Hoca) 1.29536971716764 1.58814437445261 0.6445102602381 0.896224256981494 0.919589517727839 1.39238087138168 0.520678835761921 1.89032775237948 0.619246801047547 1.31729046357985 2.36254624717597 1.01842413816387 0.949180303258067 1.41929148165757 11.4004528772666 0.981575861836126 2.6344083155668 1.04403096876835 1.13467215999203 0.86534291872183 6.92006833302768 1.45449062285868 0.543760378602697 0.543006310640156 1.06446421328497 0.281816532659006 0.572086403940359 1.61337370813284 0.935366481857629 0.47480740415113 1.85829342158702 0.885079500204125 0.795178224115056 0.461808626915782 0.962511341276068 2.10732763988434 4.53058518288264 0.46299249673808 0.6571235062727 2.65498531108734 1.41045274337259 0.861824876835027 0.484022755849823 0.717866523056783 1.72609419951106 1.07940037716932 1.20134010646017 3.21644404072965 0.759261363059548 2.77314972152219 0.776397380408756 0.745226768095981 0.46025872016715 0.602831815454854 0.753348574157859 1.26883997472647 1.05863165176666 1.09401895128367 1.06499354383977 0.686660620613207 0.564986050729805 1.57008789176275 0.52149362336342 0.571449704070499 1.39613655250229 0.770312008264659 1.14798287896887 1.00200742833082 1.0801608069741 1.13843907400631 1.07381946052509 1.30388790887605 0.676847788831592 1.30065451106974 0.902754902306766 6.33631953908189 0.47928976919771 0.369546647510088 1.50268374193343 0.581842405878079 0.575600161851175 1.0216550877975 0.576522781229711 1.35565031251103 0.552295139582136 0.492207165636888 0.523885859147903 1.56202313002189 0.677968371341127 1.29068335712597 1.11875249871046 6.4686340834017 1.03540059374437 1.06848074053197 1.34454407326425 0.695637849777165 0.833263558782481 0.649903773965262 0.617363856234775 1.28770375820556 1.13195342476217 5.7464109211836 3.24904462847952 2.9886053968762 1.09244684847046 0.692036081016472 0.882506102050357 0.732351188044671 1.1665500803213 1.91043074746914 0.849735106477093 0.83472447351234 1.32694203281789 0.546885597614194 1.15749671149158 3.44163810019207 2.7397923296659 1.08957239480278 0.880462658449062 0.696092028926305 0.503924939342066 1.48366598713022 3.84416144122961 3.78690997197577 0.843427116453081 0.647760261088957 1.12350216357507 1.05443357648072 0.99937734673327 0.780597389400488 3.41400544434867 0.752026402818956 0.815980579792678 1.04201507613725 1.25902279210681 0.924040652296977 1.77498915916187 1.09586854087878 0.657811422110089 0.778290961810761 1.67390033777006 0.859066687228405 0.447656517772932 0.849163212987542 0.806153728644032 0.557000329213412 0.748947701476433 0.9996060074438 2.68093709316643 4.60018094651998 1.00061419330387 0.692194161465401 1.76041312657506 1.03520770659109 0.668831369735667 7.48143763291206 6.65028761456603 1.04583148624144 1.31879847256579 1.04962565872897 1.51971969000762 1.17806505663099 0.684290622445393 1.71488644070992 2.03974393867832 5.83164601388304 0.471311782504507 1.16062883145675 1.01966893023044 0.510079924894867 0.814945563764674 0.990280952949554 0.639147293754565 0.826748178811709 0.340906530946303 1.54302616255601 2.4784575505652 0.295315307650175 1.37225020992794 1.01041687313005 0.758008321702899 1.10538188997504 0.582367407002045 1.1360456296557 0.754660351828101 2.16014105416938 1.25612005799184 0.213558468253627 1.79955495761075 0.634372974141036 0.861596216124496 0.673478064766575 0.904034773831353 0.293711056978092 2.59073189314148 0.62261024177607 0.912971878600016 0.681858745692066 2.12367208797201 0.745746451529005 2.4698680294136 1.28180933950895 1.2074767218079 0.60173250370909 0.975118282366488 1.24459299602092 15.1274217852262 2.28751788073579 1.54309456739859 0.917076894294456 1.11161422375973 0.985138504094864 2.36968466576137 0.916285766910136 0.786784764525394 2.3664751975643 1.16618025908757 10.9151545490187 0.855124102820938 0.917665707709733 1.04758003970865 0.386728106945533 0.766347427953748 0.556795839825348 0.353319955312059 1.7959084719035 1.11014267364799 0.376422905325281 1.61219554406505 5.96204328890483 0.568530533456253 0.730925080019163 0.521182296730055 0.604404885120956 1.2407586991381 2.78111030486322 0.914622054784786 0.418268298778816 1.89434569922077 1.3406771450961 0.834267635517728 1.0003939925562 1.86050633119449 1.07999982596648 2.75943322116228 0.66376578568642 1.23513475753988 1.17553625287458 0.488893277326768 1.09601816136485 1.35141066255045 0.379173601821938 0.612938087091209 0.661325207257005 0.573948535387058 3.07562530002654 0.845813067693722 0.66814925501567 0.235508204471985 0.447726614608084 0.383560213423109 1.25921422898074 0.567051490234544 0.813720561142085 0.213636299911968 2.57009175917435 1.88639720154097 0.424240065707323 1.07294252494601 2.66209385531143 0.576933693711637 0.681134572870978 0.760777871831079 1.82191004690687 1.32089605992941 0.825472174698717 0.674216740381143 1.01422264785235 3.44714867828792 0.658639048191333 1.13293937300556 1.43719347741698 0.703057237208174 0.996373576490392 1.73795240859977 0.882809693860532 0.567310606811382 0.756402862464692 1.00215704881689 0.420851729724007 3beta,7alpha-dihydroxy-5-cholestenoate 2.03236914775008 1.93658869155169 0.593334558875416 1.54363731963814 2.03792154094065 0.73124350664742 1.22814334355141 0.853652724557366 0.857662273653173 1.05818170567232 1 0.9682451310938 1.85771365957119 2.63802185204257 0.953285858052553 1.3187548106447 0.470425594819142 1.49938318804749 1.43470677277256 0.727127386052632 0.604057388661733 0.715895401430772 0.508697609433007 0.553598407470789 0.1256687859136 1.80279948310109 1.52609065706305 1.02372726670703 0.926998342261335 1.3610738281749 1.27563677827664 0.723446236397659 0.926151922104738 0.87293872808273 2.43615263499388 0.765806229516715 1.11431157604843 2.27507775761152 0.857814918326671 1.57759522987674 2.18741115404173 2.55088066526369 1.09986146525775 1 1.96227642366949 0.660195990008425 0.711172228470049 1.28339262583186 1.62945992792111 0.562160158410256 0.815659714876386 0.826997201468301 0.50865494178386 0.812457548798005 1.27031904745998 0.901994788940975 0.467160863610551 0.766639479339487 0.802184821862694 0.976297382964588 0.673614281419457 0.600694715080523 1.28810865280763 0.142851774321059 0.813989967597902 0.756080496757934 0.261130565978911 0.409010603985495 0.957032424367268 0.517511236809971 0.818133019333623 0.951197819817613 0.96908578204857 0.727793149907025 1.69489091664904 0.322943691612199 1.03730092010081 1.24940336343425 0.763977812171757 0.824754478949771 1.74149955275455 1.22789800205622 0.799606665256266 0.0882089582707004 1.15389975763379 1.71533522995097 0.369668778555973 0.41608534037049 0.338197823529193 0.517107602430343 1.33418374921593 1.67520562155983 0.588830184057277 1.72283355046079 0.814639030238246 0.721776677912756 0.684467870703382 0.435444944270619 1.14446399210176 0.528535558797003 1.21317462615105 1.22430658397265 0.556040226109484 0.898782416016212 1.03213393609401 0.704990591143427 0.519649571126873 0.664282440141485 1.19139739150122 0.845231732528663 1.4539522764979 0.790023364399262 0.914955628055095 0.883650766255795 4.05956205205863 2.06066021593975 1.00332604007765 2.81173286270493 1.62230771229313 2.4776451506345 0.342003121439203 1.53436181229053 1.1648234029997 1.64539745459809 2.51975442327606 1.48383838665019 1.43158397265308 0.729525530106485 1.34449080827089 0.844896762388328 0.29549098642675 1.26734885516299 0.514547075831301 0.755982603822186 0.531552145850267 2.24764778585665 1.18685998433713 0.235341576753629 0.992159286188838 1.41660032216519 2.63116029573873 1.63595797748555 1.70126323642397 1.17366392380868 1.07287177973997 2.43726269082163 0.669984819635746 3.77920457118255 1.82446822330353 0.77305216255238 1.71464858755804 1.48890562193099 1.61202988193462 1.45427008057841 0.390951445103869 2.66764049260096 1.75356126149198 0.989022072769247 1.03993428646721 0.282680002375412 0.750468123090856 0.520821502670482 2.19109025821466 0.20525875283472 0.717155760187361 0.463414023093454 1.39582846188392 1.12807782813155 2.1161186518055 0.594707935730272 1.23802690524706 1.67050444090607 0.606142851310374 0.888008161765525 1.15531201401493 1.55189717437376 2.46358521974412 0.925244593155103 2.46551106607727 1.69904603102139 2.92477275848375 1.4193320454149 1.19270108415267 1.96036171207785 2.2086604163651 1.07312741484706 1.10986463865908 1.03662912402989 0.962319570792831 0.636423316891032 1.42541625375334 0.240822653260438 1.7950576594031 0.840600144009324 1.20261007619875 0.546024526123959 1.12820170213082 0.554033652900415 1.84288230207069 1.93501300908966 0.408714605440435 1.40303727911457 0.828177484068041 1.11786819806478 0.740127195863815 0.560220393650228 0.787840491116332 0.892919046717664 0.353103066878969 1.24958987035449 0.73906568384015 0.676111247202396 1.62938569631106 0.971877818481444 1.67462011973559 1.04343987425165 1.22159063494008 0.983040396842187 1.28308966807336 0.703939749913706 tetradecanedioate (C14-DC) 7.0313466452816 14.1801093938254 0.858525696613434 0.633171922123568 0.919800244035331 2.93623809560353 1.07802128018786 0.625934317660331 0.733545841039376 16.2529478009961 0.626574142998565 0.602981183187654 0.721026559945975 84.2153515873808 0.878529111573261 454.965226883792 4.2695698301729 1 0.324233168852497 2.20879026007413 2.12092219263443 0.787080132607878 0.782256981482476 1.26663929582761 0.245451196770753 2.66242354710726 0.533739035676738 1.25016787021618 2.17305692622919 2.00178901687527 0.467395766984629 0.889941408498262 1.36506975726926 7.66424326025064 0.881963256567083 2.12898959418065 0.472031400467639 1.29110041378875 5.16839746172147 6.73675212375891 0.600485413902764 0.796312678587821 0.554040740387758 0.368128735836491 0.69997363024932 0.518306512392906 20.5599321285885 2.06204433977102 3.59413270123891 2.14957086300418 3.36455215568327 0.349664063409018 0.805649090535949 0.741809736694239 2.51861757020581 0.534635878179938 0.328543705669146 0.40652332670484 4.11438858721868 1.60046962713406 5.70319237697868 0.250330206578639 0.262063868588599 1.07515378943842 0.251396690508585 1.27598370571592 0.671085012918839 1.28005786143076 1.14295737630921 1.58278961558049 1.67430142086765 0.59559853194745 0.612081087860384 0.649190518817536 15.3722175089298 0.115771975912899 0.669410446046379 2.22057507105508 0.588619610791835 0.533938921576595 0.980156031744268 0.26351157374789 2.67043950948756 0.397043079753001 0.28812139206557 0.50026983680574 1.40626313736886 0.6800998425416 0.375810460546819 0.571219083513761 31.1649419134616 3.30651648577174 0.381587248500696 18.3163364405982 0.422444575286223 1.90428657545812 0.412854405648623 0.61083685660878 1.58410401024854 1.7147342589837 17.4970814942235 15.3799857685204 7.61026677885017 0.392625123297587 2.33102398244044 0.657894290627396 0.715544061748484 5.17706498243283 0.931038132062752 1.15588030822789 0.863853152646944 0.30554062958803 0.731703865945777 9.39549188355446 0.799763549286584 1.25485399285386 0.627075009954435 0.607757852017169 0.521097846977097 0.294589289671419 11.6727636726573 0.498958950308514 2.46319431816654 1.05891095853167 0.554376355396415 0.840871125590761 0.547790349372885 0.672198272459748 1.14925337354477 0.980787502492263 0.921226947663354 1.17180389558982 0.594335590451461 2.0009109550235 0.987120920216594 0.333252840302802 0.805658445658142 6.88476769769858 1.0143805768953 1.20804096140252 2.63598225567198 3.48415739291455 0.686864765277061 0.75443564348331 1.11161771696429 6.51515149743348 4.06012069277019 2.59633524782011 0.759062920797781 2.21290387085722 0.737291212675255 0.239033896531179 4.34115324099438 98.9295553451952 1.02305043638722 1.20833681714186 0.324785285328303 0.814893120652426 5.30043799512715 0.981708982028226 7.63156371452143 0.905552440429798 16.1335081181996 0.550822578353534 0.944708304366562 1.70715777939803 2.03016442211948 0.50171988074558 30.957169327127 1.79895257713152 0.843409871875755 0.592962726269709 2.91747086610306 1.85493128955097 0.788181908012253 16.2289981891992 1.08715758060169 1.11585909548832 3.69292980793349 1.76507417150161 1.39245146884189 0.376217408362193 0.974551144160679 3.50750777790706 0.486874471216335 1.67606836957176 0.464461937223622 1.97886560957684 0.457693506317339 0.548596059271715 5.64781356176983 0.763290266638523 1.5402892954599 5.76548228870726 2.34635702771397 1.01287907978341 0.761503438299753 11.8738473466242 0.491861920735219 3.00417179980272 1.25921231040529 65.1726259769525 3.8295368103594 2.6558291474034 0.823256599892533 1.97448507361019 0.706526893345175 39.6913370983802 0.749131289200155 0.60588799696894 0.825830427885748 3.30310771312284 73.157988718892 1.51847548928751 2.23028919606173 0.340418863902267 0.831273939611517 1.45216170562588 0.721242500553999 0.75330484308829 0.767838025414359 1.61555242288894 0.597809848955705 9.02661707672311 75.8651307115214 0.593776621900458 0.941263280619169 5.13944335853564 0.324519833736091 0.714529030990596 0.793687397422547 1.18311073014975 0.436821059315568 13.5919798537444 9.80466504862032 0.699247438889126 2.19997275320661 0.737247945235115 3.80286301820799 1.50468837795629 14.231540443655 0.307651379032715 0.546252601162491 6.43704324346764 2.48215247328966 0.746774967797915 0.67463878996172 0.290757197743311 6.36844564060076 0.495174803381643 5.29677195661796 0.264877421587997 0.458480505971784 0.527611350803634 5.30323400727244 1.97427692214141 0.443531020708148 0.845460982416463 8.76552146328144 21.6975991832978 0.305573372515703 2.76062756498448 32.2636425454586 1.48483563927351 0.500140034485319 0.344427533761759 1.52794404233661 5.87932126249713 0.513765769958715 1.49585831199683 1.71031513313801 7.36688391988975 1.66348222205201 0.609935256707476 1.87200438755231 1.30661120638394 0.978018386323279 8.34277635469478 0.431703807476263 0.843607498832071 0.979109427448981 0.349901449634653 0.706846136889995 hexadecanedioate (C16-DC) 4.63647990505798 10.0609554660705 1.13259265617478 0.674534713177311 0.995767168122768 5.6362216508119 1.21304967662239 0.62953988199423 0.498885625464167 18.8373602833333 0.532214231600318 0.377304601926457 0.609824857344385 78.0622138957205 0.745928950226346 200.982212925401 10.6542207028845 1.49981563930988 0.390929006206312 1.41033726063899 1.72752236399667 0.635514437233395 0.544925416024452 2.08933992155341 0.320850298373222 4.31208010360026 0.646100995323807 0.985485514250633 1 3.99362276220083 0.55140229816423 0.684068474695189 0.906177202718387 16.6272753057439 1.4284952958168 2.82359077844856 0.406920917166432 1.04591965823237 4.09857816610672 10.9471201691664 0.393644606441265 0.882379370042276 0.44198859445609 0.45920578281624 0.913610441945659 0.223766712311332 21.2594886468478 3.51320142893872 3.8057433563499 1.31794295387946 3.10963409130058 0.146928798921702 0.399241572732194 0.632701003927077 2.22787268767344 0.430392907033623 0.206763179833338 0.277434207533466 5.20109414301757 1.22123862141864 2.8252647569511 0.121717404827294 0.180232026198914 2.3041503932955 0.267836560406089 2.34627535949647 0.434564308120406 0.600572884001724 1.44264080714899 1.25821080066264 1.33532268427437 0.564977711806839 0.552790126031414 0.240781489835756 22.0097065196223 0.229438815957948 0.391228454874395 2.86532881282467 0.88604576631669 0.861928208556765 1.01834220414155 0.266639474099847 1.50603935664023 0.425749725135286 0.186552764569108 0.407609931829462 0.798563905343288 0.377043339942354 0.341558062519391 0.78777172760204 46.9720090348837 6.4374961984076 0.443820003608638 31.958032464449 0.502046854019363 0.875619563722867 0.37770679768168 0.594320127048579 0.996429186620235 1.76284503763768 17.4460403891399 9.17801879660625 10.1874084103747 0.744146058841239 2.9186850247161 0.305783480720112 0.717549990620609 12.4211392560993 1.74375759360096 3.0243230354265 1.23197406278927 0.942598127086403 0.967869324382276 16.6964880186586 2.82872107531268 1.24525855173003 0.654977952041922 1.00357081337977 0.634572281880601 0.177108458983949 12.6907586675029 0.811379169164856 2.39670837045477 0.833473129705988 0.576330608454128 0.448487209015256 0.329774276138472 0.068630051773216 0.768252371554735 0.958684677141938 1.06314246911574 0.894428437291232 0.769233246286451 0.412593020813048 3.60038989642801 2.41406356620291 0.17676344051396 1.03255236485882 4.61952385406588 0.793551681466681 0.937794958845686 5.54181649413188 3.66015885161497 0.46011152019227 0.689750702432048 1.77625117753526 8.05283638406332 10.4544133484835 1.63242958939735 0.598832457497558 1.24530864330048 1.37000394087764 0.177968705035787 24.0659153953375 88.1013684710366 0.641685284885584 1.69856784110954 0.231902503402904 0.475448741244837 4.19035870164694 1.23694539558796 16.6946223632283 0.86227527158065 26.5829631412935 0.456207955665893 1.02241291094894 6.16956252169144 1.38321789270897 0.427744187461058 12.1549199378251 8.21549393610871 0.867605934726595 0.423594254190185 2.53703479370707 1.72443604814311 0.594236811477308 7.09614310241631 1.51951705592417 1.23838833950022 5.69298467555741 2.80749349448507 3.30827936988894 0.217803259734505 1.36650059777645 5.04481662140536 0.937827671708025 1.96417686004569 0.37752789921576 0.761858540382751 0.270965239005795 0.515606846597632 4.3345713107175 0.736102783813471 0.0200616739682798 0.910449561622088 11.4696784990112 3.76109336608709 2.46598603467461 0.954591480241687 10.0129716721946 0.405359389128187 2.31628379839267 3.44731159052492 82.0853662588293 1.19358500769519 4.34386074134502 0.942572059024226 1.1282625329876 1.28552859640864 27.4399276841287 0.349799148136619 0.726946249189207 1.06239978491293 14.1964305155803 66.0347390152508 0.911009769389655 2.44484688080302 0.202214047414227 0.688902723703587 0.857930083412688 0.556039944449471 0.937771957614353 0.439221290757543 3.15903255798738 0.366236850323832 11.0908471966866 79.8592984011077 0.364873132875047 1.50647944686639 2.80122029199297 0.220474469399929 0.626742151596516 1.12649552728278 0.527712650217208 0.260191973388086 10.1689353547838 0.0337530291343819 4.21437812081985 0.799548869182797 1.498950888282 0.661183173116979 6.24340771931546 0.629758890870402 18.3542169179679 0.489118628595029 1.25029837708423 5.14349701520688 2.35158404368803 0.0493718874861545 0.298573361405058 0.574507377517165 0.603365233485499 7.99418068847286 0.502814584007397 6.30192131841014 0.0831187829588477 0.371780658213459 0.542331721713725 12.38241029392 1.81631727796273 0.3430040732625 1.340009312943 11.5463712490742 12.223872006837 0.383397813451836 8.29589550693947 27.8182774940107 1.72287094213555 0.303454222693833 0.286136851192767 1.34721023176552 5.17976177880278 1.17947860808815 2.01867751098053 1.4570748465179 20.725048392035 1.55937001160796 0.311637038525018 2.23934212389281 0.340095184206639 0.628718724075696 9.3918489769819 0.627174574745568 0.8178762503086 0.782878087851414 0.224677561072103 0.520762189246976 octadecanedioate (C18-DC) 1.62835239476054 1.94392241727194 1.23742465476627 0.61295906085044 1.015258625545 8.99696615858775 1.73481584147148 26.1253313274174 0.598661974325282 0.607031602466324 12.2773903621971 0.460658480036743 0.36953494840147 0.733720755365544 46.492803844298 0.471568696330765 55.2362996657258 11.8317867032392 1.7991422793236 0.40561066147033 1.49428331375611 0.845216894983797 0.816761785094868 0.511614822333021 1.81651269074734 0.262601474011447 2.97628958582404 0.472872812658406 0.984741374454997 0.665047650180956 6.40577382117116 0.590668600583311 0.567467407253 0.946870614357241 7.3598690425661 2.63409637106116 2.15025657939792 0.431544191560392 1.5337119115972 2.32830788268272 10.2466114122927 0.210371097486002 1.20171178879804 0.388978145685459 0.75897280077332 0.951344768873877 0.301241294838421 10.7494231981782 4.02580120547842 2.03827515985538 1.77409717034526 2.11238366550768 0.200835270437598 0.288047076159881 0.261986103228437 2.03561569215825 0.509336672001083 0.183898038913165 0.257797549841896 5.52174804603709 0.559884663250856 2.61076956501546 0.07720761008433 0.11547529178576 3.3091071320335 0.257009194980663 3.0441207147226 0.515697038729753 0.663863670891955 1.36863402465587 0.765769261953436 0.991657135300271 0.403065806967593 0.415706248666724 0.281246285522215 21.1509689719585 0.216540968082452 0.280969200238986 1.70911476762227 1.01675972376486 2.70047553187386 0.859000194432003 0.301972579577398 0.744034204288997 0.423530365634498 0.155430674757767 0.362137083220833 0.584244159364971 0.509600768911661 0.357486458637543 0.714467157915783 24.5860302573981 5.17497463331462 0.489783660942074 39.0277077411488 0.466596660650033 0.64330425774599 0.368476983422901 1.0697928236486 0.903861639982777 0.990459843494045 11.5470308973706 3.13417776122963 8.5845661135719 1.94580896701504 0.454293523052787 2.55858543239867 0.340320553037036 0.812761194206084 9.58112694992864 2.11127532437477 2.36733203869433 1.46119467838821 3.67460269355234 1.83068869074842 14.0927924765048 1.39569864456492 1.68054034778926 0.511475030443958 2.08694692163761 0.926653085289527 0.176097143581343 6.58488806777884 0.785199080265782 2.48426832560984 0.41215924217175 1.15232212423654 0.176847320498722 0.551489451473472 3.54729617504233 0.340917624591949 0.610030014948436 0.861015360128215 0.688293225500977 1.02687373018978 0.519832064277488 3.39711634511917 2.27578014857124 0.229990231169418 0.775445599578704 1.78499520217386 0.982605026736368 0.903370049757275 4.18071903630998 1.82182392962034 0.545717103797564 1.076457826754 1.82587079166886 4.46010719736895 12.6380919844423 1.29394104223425 0.699182992001524 1.37173155473969 2.18403146492313 0.146044410788378 29.3973934304024 56.747093950016 0.852839769924754 2.97505799505182 0.26467076049677 0.49373251981514 2.04470440431781 1.73911790844693 16.4602209440264 0.423806270156577 17.3745000460497 0.693008398360474 1.25407815221901 5.0598291674768 1.6248808415206 0.249740822927548 2.95558370140282 7.07173832443695 1.35334710363226 0.451147975348856 1.44014524936495 0.984735119851192 0.89942630751586 2.53056282160982 1.31305638449362 0.958943360461977 4.13133566914128 2.2122367001032 1.8940672262425 0.101356537126673 1.23705748023996 3.31858903765605 1.21212846366444 3.62500875731186 0.640271275938371 0.628750982983658 0.581134034495543 0.358066999536355 1.01271168095519 2.06298691637928 0.693747161253402 0.875424188443182 0.972755117222031 11.1097013697617 6.30728088812131 1.08662811612707 1.61214121588486 4.24274009006846 0.28310008052791 1.12529213998789 3.05338536029352 45.472723236671 0.278358537336061 3.75060986313404 0.899776206403347 0.846479796783134 0.799845241571924 8.43953322150213 0.338425037804036 0.729421104295058 1.57608746133991 16.2594277874032 19.3952963985998 0.393898377398028 1.86867023466447 0.190672065631428 0.484597757970728 0.503648551953884 0.613652590157018 0.778702926004848 0.269929477072374 1.82462666300368 0.194830312815116 8.08156225720599 22.7128664393833 0.381306346906052 0.824574709513078 2.55038858849451 0.210933926967561 0.745778582094781 0.813731386284436 0.40370026929226 0.342746230026441 6.3680168801614 1.19329847201635 2.82154920585941 0.448485358955326 0.519036624849355 0.449013159189431 3.81646602910812 0.50550352772073 15.8233128694306 0.856766587923018 1.15678776290631 3.60509443334092 1.86395112593447 5.34082709957044 0.143922976588655 0.604644956929769 0.486051274946531 11.3467970279455 0.475721189231143 6.4923966853673 0.0659522012142948 0.260820691973264 1.00529453299716 13.2207728160445 1.97259886316317 0.489766343111872 6.27816331815924 13.6542491264335 4.93669585245838 0.809189785314008 7.89611860194731 9.892167775139 1.27668225008994 0.151624687983866 0.175227316200751 1.11759869392073 4.22180047183216 1.89367127767015 2.15716088342975 1.38531306307547 19.0779314166694 0.863605556504538 0.474133852658326 3.96905618612574 0.126529577673224 0.69506016765234 6.81059725260496 0.759475411436223 0.994705467002843 0.758799622471302 0.316365664410363 0.773755143198776 undecanedioate (C11-DC) 1.313920770192 1.2686004196115 0.761863259752216 0.543925012481566 0.854166245804607 1.11144523550479 0.636372294097446 0.802618098703937 1.20971051424053 1.36552663551806 0.681346335325574 0.86425539160373 1.51179039049265 1.62822536658288 10.9843266158939 1.18173449039136 1.00397389981848 1.01594465976549 0.996026100181524 0.914787697937439 1.09304466524872 0.913898837266349 0.689986753667272 0.674258537247014 0.510985221248388 1.36246179774957 0.724906280031514 0.983062586757707 1.17142601533573 0.431599574039497 1.36499562784443 1.30306974381766 1.35794235851336 0.742443430964181 1.08918544980711 1.11017327584314 0.803386455641531 0.882601406996918 0.676376067875523 0.578750100656647 0.669531415854703 0.864043981464536 0.797010314561174 2.08130860962058 0.774682840054757 1.94987664985396 0.731667679333543 0.885148935235683 0.923215449148262 0.692554336288369 0.553179651984217 0.836050452771901 0.791410144725958 0.911905302226159 1.65366792822998 0.990124667833064 0.919137939869549 0.936853509805788 0.954005402516782 0.679077326266627 1.04757582190728 0.850940316098475 1.56522916773424 1.31383644575888 0.532250389815744 0.644224504586283 0.917117486438804 0.980527514037027 0.781725145128584 1.29175786768958 0.95728497910002 0.834718124784961 0.844586136468452 0.559189768892338 1.76578113218597 1.14622665680842 1.20017129931261 0.577490977504154 0.638865910704743 0.867382121915331 0.740283888347987 0.579277175464668 0.648543589818672 1.84260228545493 0.805809535661735 0.870888633485355 1.07026932058593 0.930535932592988 1.06905412033411 2.43411198875574 1.47153430012518 0.878179834996303 1.45791820091799 0.941077428753395 1.26978909687196 1.24681741982241 0.579811570756133 1.06468379171761 0.568413578032693 0.554907286077173 1.9273954451952 1.14820318733849 0.659824454806996 0.77380438204139 0.646215676083249 1.58961369808862 1.30892440136747 0.925265184512785 0.79562674319012 0.939210705474989 0.758621699377027 0.855727912271327 1.09922183260983 0.636618522287212 0.485765319941729 1.02838883479865 0.690123935784719 2.16248545053915 2.25099741586934 0.858429170662431 0.622446066338221 1.77366529285594 1.18293888128372 0.967892359611429 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0.495353565657526 0.324884303265054 2.96079603512191 0.687081174849104 0.616461610664892 0.703329956988736 2-oleoyl-GPE (18:1)* 0.609417917498039 0.985086897280008 0.652938230984981 0.696165741384182 3.4985286753933 1.91272853422818 0.317022834058977 0.642879070361106 1.91384345507644 0.615534491090997 0.568743597659757 1.70571500572188 3.17265629346637 1.13546811948199 0.954632757945447 0.905952390043386 2.11545605390021 0.522320126284968 2.32167146489908 0.795035438555534 0.7398990025713 0.168775016172898 0.374171800357167 0.697872377563254 1.71128699175373 7.83291503801313 4.90657203294144 2.08060244998947 1.77339353760458 0.320840183405571 0.269831790953432 1.01969526224095 1.37382641489674 1.01491310271999 1.30371163914092 3.9004338591207 1.47969837983835 2.49692756272465 1.96883778270049 4.16826023837899 0.134245190209249 1.10887894008782 2.18150845655693 2.98662453325087 3.83929531656845 1.42266639118947 4.13197660815513 0.165345835619475 0.302408281829588 0.734473279852446 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6.83604381830679 0.211424822394973 22.5723289923089 0.325186076101652 0.224542398741121 1.79147912431777 0.488270591940075 0.0484638754500162 4.22112350392265 0.0541890787480466 0.138001895655629 17.4026973457402 12.6110015484193 0.0302271273978194 1.65620211705378 0.113392256784554 1.15481721285154 0.646935071774098 0.392266900397354 0.479137671898102 0.778002146606107 2.11904220538106 1.07439866607256 8.01129092197099 1.01702783681148 0.285133866439782 0.0270200681999742 1.23854756303363 3.78781330394586 10.5739859394855 4.27631884557577 0.721871177962326 4.94071054984778 7.35310554982027 0.397573516063789 1.28920887296456 1.84157380700471 1.19655014971844 2.4169166558175 1.71055320948785 0.489123943887521 0.592273195967657 0.307471986240206 5.14394531166435 0.161337435844777 0.113744299605579 4.56357120198329 0.759806573186616 6.37165013009827 3.20910935405615 2.03997671861429 0.427160404407877 5.27591482887968 2.27879688595422 5.59345407381465 1.77342242482142 0.362766041327057 5.93480936952003 1 1.63599883501388 2.77081190241744 0.593716592984045 0.0417364221968362 0.205499486269239 0.464562509817728 0.371086890483359 9.18606848358048 0.0823801350919367 0.0872242097072804 1.94751817005497 0.4027445936026 0.577711633541576 0.624501014931504 2.83309098443772 1.35052513002186 0.113920942306294 46.0961590297732 0.0703699594944229 1.75939980599864 0.719726558321735 0.416173411789586 1.18843925477562 4.29064585216656 0.549717891216213 9.68926256867825 21.6409703490863 0.60028599003344 0.14458785712845 0.846475641949524 1.95175316352408 4.00075332916481 11.1333149661598 0.210415379283662 2.46802965763711 13.2335357084136 0.0972589209148014 1.11486711151289 2.7261292450022 2.82451326990088 0.243074719862402 0.204104681276057 1.47869713478205 0.49286843297143 0.901694058509686 0.0451065387749065 0.810696785163969 0.42372855456762 0.0543150327828071 4.91431805221167 5.26215197873442 4.20180083871666 1.58510449729871 0.579017505963983 0.0425287166632744 0.221208462224439 1.03252685855321 0.269306313723549 2.35113283592216 3.84859443752747 1.04320350400441 2.87923659792271 3.8446994354157 5.85511508974855 0.53070847781056 0.574744311218767 3.24205841311288 0.031593830585592 1.18507112466391 1.8290042119199 0.0501513992974633 1.24433704283005 2.68079365137577 0.206681892167272 0.180303452600773 2.06286126946813 18.6688118975277 4.3585707771851 0.523540390362032 0.390978294951747 1.10018834757171 0.725597177628599 0.859029956523892 3.61994268586143 0.546630769691535 5.9808474082115 0.361618322187729 3.6433428011376 0.572617264165186 0.0483339353854448 0.13365373507629 1.51249059484582 1.34050218480738 0.101130238235382 0.00700810050419572 0.105355910593122 1.59076837129929 0.0228947887958408 2.07438827532546 0.0455570082227483 1.37451430897559 8.56544046682571 0.135686959795755 21.5516369705227 0.921049575476859 2.63382823850554 0.664128879492394 0.0591125018413015 1.5294006189218 0.534694551764563 0.0154987161315126 0.421617704855107 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7.32769635303113 0.666801287963664 0.712526228996174 0.872274186144733 0.250885505580137 4.77007324254265 0.0129346464792787 3.56692664927133 2.4060534353338 2.54777543272878 7.74919089697208 0.222871440175885 0.195328931323885 0.024969882113918 0.123174819430208 24.0564611804744 0.259249140165677 2.44540151374849 6.36587791727865 1.63873419918818 0.091851606684551 0.923864703915661 2.08585140864914 4.99481028023845 0.172765423994436 8.24348882169539 0.00580277384049959 0.561433305767292 0.697455672767258 2.97098781165365 0.7803713897502 0.461148079759375 0.251696747879524 4.15735411238265 0.021422511614716 1.28257285288964 1.09295058099557 0.0258043507891772 0.0145409337369833 taurolithocholate 3-sulfate 7.10097815941082 1.01523962822577 1.56193480064289 0.0169953763688858 0.0558612282750318 1.89392998984468 0.0529637608270129 0.516680211124488 0.05355001648278 0.560019960465479 5.07113195038985 4.92862443049882 2.56505777425716 0.152850615296744 2.21451674058761 1 4.88758864777205 0.205865998017236 10.7951951186821 0.320498902959293 0.169156190340487 1.30117088114648 1.32881515981051 4.14375852063125 0.187580678076212 0.420933070252869 19.466212716012 34.2558109346642 0.0104484523695958 0.866103072317745 0.0882667964358554 0.644262664269318 1.25078700746374 1.96986818587114 0.176589465935253 0.699413350541252 51.7569178684934 4.95797503725891 10.4851966088132 0.448989219231479 0.455120413688915 0.0861823755896051 0.15966789339089 2.00343323593698 12.7879867609297 8.08200425266986 2.7933628764402 1.48767529450409 1.91216798220658 0.364934052167714 0.685757865721163 1.53051095519671 1.80744555015932 1.10773546786066 0.831357354142801 0.522515796088499 1.78397782461552 0.142485988961229 14.611981440142 0.202975587624975 0.274015907617707 3.03921372781865 1.1944556879605 11.9012040495295 3.863936986871 1.98030475720121 0.290194631572142 1.38013434755996 3.26756614147961 4.02074530630929 1.37799403508016 0.162440107650438 22.1623009145395 0.257152574868713 0.69874563128735 1.78653979321378 2.47672912496455 0.0429183612020461 0.263065661292492 0.463428320498253 10.4444776734833 0.0597030702272925 1.17534604630413 2.73349615238792 0.209225008867009 0.253889981532161 0.262018509771764 31.060801472768 7.68983115700925 0.0257361655734086 28.0683982716758 0.0486072244136563 1.46478501653137 0.961755091177312 0.403330966856315 0.842735662963975 12.1221751515254 1.47612197509783 62.5170761992011 10.8444682968762 0.416307666861382 0.0682614081567163 1.27744302837618 0.439414888071849 6.7184213637547 16.9684057846094 0.804269151719909 1.73909678230955 7.19572356830567 0.146575878590993 3.67829734793444 2.37074580134755 4.77135522256629 0.424255069337388 0.505276816659377 0.451700864103844 0.107219754472671 7.31516494383645 0.0454244195967593 0.446522181499663 0.105642038416134 0.024917896448479 4.52365933447056 3.05834462700032 1.26190057418614 0.616390192651419 1.06455764837025 0.0279271466751774 0.329446506456755 0.574008219964718 0.125355335551493 8.3519139635151 0.113475290893218 6.28975608591302 1.52400324046221 2.79366368498328 0.829588902756431 11.423291491923 1.56008483208593 0.944753730113294 1.20732347954822 6.23605200580767 0.957142790583091 0.183782371862258 0.179317709149297 3.00168837166774 0.0650713233653982 0.381284874717464 1.90968463733206 24.7215406871946 0.979964345597275 0.731186944501552 0.168614690755423 0.864724388904387 0.511850342362637 1.16414216567009 4.32433334362236 0.263741242918769 21.8997343682933 1.25308889314687 3.7086857083619 0.559762474818569 0.0496750510617406 0.201832049242912 1.96720691842177 3.71987211705733 0.0720024414122219 0.0102138041127779 0.429398225666394 1.38216487802548 0.0252807303736258 1.18520487886414 0.168231764100874 1.95267958386501 14.9856345720744 0.147670786743924 4.49279369892006 0.412178174170767 2.22925746008099 0.402341181534024 0.0273173760176676 1.21210904353367 0.455449177333771 0.0124714697802438 0.638674194354351 0.150869607504547 0.27571301525475 3.37062524497114 7.77241722523484 0.169916641380889 1.48553323483043 5.00066888404981 0.913030222377011 0.0974596383658147 0.0701670142611787 1.1920311652793 0.513313326022298 1.92195809180805 3.34557368819229 9.36706999666286 1.93143079452476 1.61212558363555 0.127671532213304 1.1382560326236 1.58393373709042 10.0043484743212 1.67122325118999 2.97770289434311 0.625813391542068 0.744086767976732 15.9293134867641 1.21652129043079 0.342067070113143 0.0125375719479872 0.458639553324065 1.41959384731506 0.59440758188952 0.0498518088406845 2.36561225458478 3.44252547554249 0.366535064142399 4.76700674824509 28.8082475121415 0.848212242121466 1.45749688853893 0.997998298233179 9.72444510578968 0.341244724202537 0.191084186206603 0.235651024816559 1 44.807813916865 0.466550555927967 0.799296637991333 0.0801466943965746 1.04094752652677 2.32200957578715 0.330069963466176 1.81469844307555 10.1863431756646 0.105763759588454 23.6910693350588 6.11253704778983 1.03474557071796 0.292956362668524 0.171917760749756 1.06889971631396 0.135782879713274 3.24479088710274 2.7457521349253 0.173243589691323 9.33777421479652 0.176797673203695 0.039893677429575 0.300821938232038 9.68072420020745 0.336269298484193 1.55841305875988 8.97065646150146 2.57521465732578 0.071489348815024 0.229819182907319 1.82330104324946 6.5002679030587 0.277507092151081 11.7268795292361 0.395091491806534 0.176426685707197 2.36952829842537 0.675498343369021 0.963530531339125 0.389687421194277 14.0033767433355 0.0227277889436408 0.49335542174639 1.21824314998087 0.0207421031205465 0.0107397094649568 N6-succinyladenosine 0.873975114676358 0.445326522924192 3.1628182684424 0.66020896580761 0.625102488532364 4.13083907638443 0.770749772863253 2.2485734704279 0.151660868216367 0.736776209364682 1.68031610787334 1.0642796995147 0.522652735612826 0.233366388193321 1.29198151882465 0.29289837569526 3.15245030691161 2.89202140625346 3.71856649012786 0.481696102111818 1.66322268265118 1.06547355241873 0.18922430030802 0.187102510692047 3.54053282956988 1.05013074212777 1.88763932900481 0.962267600327963 1.14126797704257 2.63624603895672 1.03773239967204 0.154727214306291 0.324534092671793 0.573933011279278 3.85691215901788 0.34605114454761 1.89294817332201 0.872642834338511 0.821714622670312 1.75640920518005 0.895521450665476 0.264170035188477 1.03680571668827 0.401190511497752 0.434348280440126 0.241957854078601 1.9242182906809 0.994872635855959 4.93685439088345 0.348985256429268 0.825873736695284 0.818616222289292 0.276546190764464 0.331008951515966 5.74970298273375 0.327788429498307 0.351075281010609 0.33027622169613 5.66311874235649 1.95162587513237 2.65996277034677 0.354543535491165 0.541619926064072 1.15083243341318 0.199724702939119 6.78886041322473 0.379745952103894 2.04624571920049 0.26949453854595 6.70316591620013 0.532691089830931 0.190642342362775 0.28914565447602 0.971093808607482 1.01673938719363 4.01911726991847 1.1902463193411 0.785988810168894 0.496403517800973 0.279079342427325 0.296455506726285 1.91363208937908 0.296930036514369 0.443018916641515 1.28472659582449 1.69438188133615 0.253287252769108 0.215352783239329 0.272414990256438 3.59229168229533 1.28507551478631 0.281595048142094 1.02460053140358 0.446396452191996 2.23360822332209 0.4214487464214 0.395496154040743 0.737405333924169 1.68004829038432 1.29796109204657 7.30452774690814 2.37196157006554 1.83287130647472 4.22437582759216 1.34617122500214 0.501211621094943 0.909771301066471 1.93017084816966 1.00512736414404 1.97432654278881 1.83553006896383 0.474156444794914 0.390150715545561 4.05892892346288 3.13355047723391 0.508395862518951 0.359194625252312 0.299431785470666 0.215736594097338 0.670405914874241 2.65447078588762 0.386375412378598 0.560283601332173 0.291853265619794 0.440353175773161 0.515716182338071 0.389292374899468 0.725894497373513 3.52385122793306 0.181636743958032 0.243953670540249 0.647502874219948 0.332572108464948 0.218161580882032 3.36491864082108 3.20856107564738 0.626222306738149 1.61539360675786 2.33887009572592 0.331134562342223 0.621979452162338 1.93236205924993 1.41772054731428 0.346378831784424 2.52123259112455 0.504763616126337 2.11259614898142 1.71467500815598 2.60994174797932 0.275154004106776 0.966669516171522 0.420436881432103 0.213437218138901 1.10787702002272 2.54323193166771 0.474027344779039 0.276678779969958 0.243332594788198 0.318873550023639 2.21631231038435 0.749443038107184 1.65029945969899 2.40718493926193 1.5105643938667 2.37605438948777 0.269121195256796 4.92481668670043 0.570513905292926 2.91941542117136 1.20041730707835 0.461145256708403 0.969576011123537 1.23633851419839 3.1625840240475 4.32419456419149 3.30443004959883 5.26761560993651 0.408500363748018 2.8697363393865 0.370091364430154 3.9597696437014 0.727496035408296 0.415733453826682 2.79351499217549 1.43741353351977 0.646979495777208 0.111852951592728 0.581846793173052 3.80994733068271 0.222948749038292 0.3488003293795 2.10236933421028 0.81540267865087 0.355593781566262 3.30409159820586 4.18696822569474 3.87813656339247 0.456689561565879 3.33571761290581 5.25570351657976 7.92206197149681 2.55153620295918 1.03850146284275 4.71462441490652 8.72521759458757 0.394512202568393 0.669076533629682 4.67115957983179 4.47943558868735 0.252006720179205 0.524208869868929 0.459662351120641 5.66968190802845 3.64818849997994 0.7512225248125 1.03019719155128 0.982625580295848 0.822342676801599 1.28988361808028 0.375726405663653 1.93269702145328 0.744059218526201 0.344550496424453 6.45750603193655 5.52812548521543 0.720618842670696 4.78889530512091 1.36768905737798 0.973159408861495 0.247463795296224 0.578783284688215 0.253824587970321 2.97900031228247 1.77353065863688 4.09961636360147 0.310757694971554 1.32440217097378 1.77817825920841 7.47901514133835 1.9028225799417 0.85064000460573 0.22536675744375 2.91512371794089 7.3014049221998 3.69724650601275 2.64110370046005 1.7245354580172 3.28963239642777 1.04343866615259 3.96809485013058 0.919893440149058 1.75323055343781 0.714851212231703 0.164442017519221 0.475143885456883 2.72351487005386 0.605653533938475 1.31705393763771 3.65745229841643 2.36858752370468 0.230771512162443 8.55943572825493 2.83829525173631 2.58864373454943 0.379937857532899 0.596040816540155 3.10620220900595 4.92810001413122 0.855988932290531 2.09588990908917 1.82789223288945 3.76356204389749 0.353186240729659 1.04994949398028 4.89640072644928 0.690573430867814 2.90819418735902 1.67222203807055 0.775591025106464 0.923270975699539 0.325960094138336 3.1096704634865 2-arachidonoyl-GPE (20:4)* 0.838951118857817 1.50706158943993 0.596542034961113 1.25498444299424 2.20121911902912 3.72162010656426 0.554170428618077 0.728739090473585 1.39030324817671 0.536423517371897 0.916548759905322 1.11003451150938 4.59392147194764 0.955718375766766 0.591444196097717 0.495935341189822 1.04428162423323 0.812250033553078 1.9969218733109 1.45229086721053 0.261982428854341 0.177578010706098 0.631888430882969 0.55841395757076 1.69771853401948 8.84027413700131 3.7486243238239 1.70404163733923 1.66941645347394 0.520283969684894 0.232842914441802 0.656957953018686 1.51429154129703 0.861226541304197 1.15471176752199 2.58475268555966 1.81106571276669 1.82336235508424 3.43962405561439 0.997992435651179 1.50053877739896 3.16283956589613 2.83540841902669 0.931861435807311 2.72029556046971 0.285106674309797 0.653460952816928 1.12373939758609 1.99369871079799 1.82514871453746 0.460674672672112 0.400341545781618 0.977695361317523 1.08598453463709 1.34487967154123 0.653499816189803 0.429178620354782 3.28373041382036 0.444092213745839 2.32589378414243 1.19111402536197 1.40536508862544 0.402563084631095 1.01262359173936 1.81441835652671 0.741681261143564 1.47730119181763 1.95479376315169 0.918987717592523 1.71086961089856 2.09013862248775 1.46493179365086 1.21437556162658 1.21390513405491 1.47223946345047 0.417224517998148 1.75465959413534 1.42537972565622 1.90120026815727 0.832711029809337 1.2625209540235 1.13367757544974 4.06902903252119 0.795980171545639 1.15315851895301 1.02898868691735 0.172020133938548 3.3557885299274 0.510963425273077 0.461880792930301 1.35786274947969 0.474465747246632 1.26106041424288 0.919415666593835 2.64411250404168 1.93227017907203 1.38881019557992 0.935491094073991 1.40573519446712 0.501986438038566 6.83310915343147 0.58841044511893 1.486534858073 0.432726032878865 1.42899266363457 1.76129754860238 5.54071085176086 0.738770123375392 0.412166404828458 0.542808796046601 0.652276975643285 1.19363110660517 0.824289427287194 1.45278970102543 0.489309748086261 0.646898465597216 0.371177295836806 0.818748685254355 1.21534172315224 1.75357593869167 0.978320790481004 0.745526023660112 1.00200756434882 0.56428578045674 1.30870058279243 1.09959620503683 1.02570925090623 0.826190117360608 0.476533188303661 0.605956354172763 0.891820864253628 0.646774193183952 0.392808829939077 1.37415102171129 4.31404407061294 0.19334211675687 0.194790455246002 0.313684810363687 0.785306752895152 1.0963081829317 5.63908624979975 0.393125159718295 0.360263014654429 0.321715067758969 2.12835939401156 0.860888330842989 3.50115426476938 1.79676173205015 0.517382660292772 1.97610038138074 4.74357923981887 1.65664119684728 0.64593049647281 0.893657836471513 0.92779524244531 1.36238536152314 2.96762342114723 0.309736562819366 0.774936107033344 0.253419468425882 0.253291128915457 1.74934886904196 1.21365342593059 2.10323693484578 0.498733212209155 0.282093407212906 1.52748871888925 2.5378830894845 0.605940537683802 1.61933823358288 0.425011653363117 0.954634920412557 0.616461214240896 0.398477459582657 0.960660098907284 1.54559227215387 1.57087334810895 0.205324688793633 1.25223752480082 0.439096914632308 0.544432923513041 2.56286139265089 0.105872865706033 0.581523493925677 2.03088734344218 0.737484468772715 1.0194992454405 1.10064958320162 0.495329503784773 2.29293493254606 0.152376958448502 0.509933545891882 0.270986616764891 0.576830063801457 1.01210390710208 0.632131287703968 0.470926468916871 1.66267857663349 0.374380812700912 0.438621064264428 1.11651126213097 0.372033193839432 0.278271239680588 1.51838113264589 0.781328679971648 0.827379969230151 2.94678497099143 0.679033504068566 3.00638602039288 7.24586709494706 0.80737843729022 0.786722102707309 0.923923365947687 2.58271605719333 0.786466327485827 0.908951929397001 1.32255627902185 1.32795105745656 0.494009504806066 7.17192591285431 1.10127907946227 0.680586683284524 3.91953474216073 0.357134513137967 2.08022575100644 3.3126619354276 0.70263351319694 0.751441842431166 2.605735375227 1.6135670227109 1.85198613300628 0.744826482948356 0.486695960310555 1.50090391234411 2.57419684433931 0.721441578069851 1.53660172792882 0.327362006217688 indoleacetylglutamine 9.6115553570099 1.98092100364828 2.71904176904177 0.254441218077582 5.77394832849378 0.528828828828829 0.159790782518055 2.93765914675006 4.45320899411809 0.379912143548507 7.06369592733229 0.155435187253369 0.0888280842826297 0.328947956220684 2.5735239371603 3.9330317921227 3.63856377038195 11.4907639044003 0.88781177872087 0.169373092100365 1.11218822127913 0.689691757873576 0.747230288139379 0.560777306231852 2.6313156131338 8.53559675377857 0.786214727123818 0.502777157322612 0.126580299307572 2.81394535030899 5.13192109686909 1.81747741122085 0.233771975905302 0.70756724101702 5.06905337255726 0.328662359039014 0.138203053862856 0.976955943125306 1.22454384674652 0.532285319044617 0.272636933529453 1.06931603278 0.236674371366534 1.80473401274778 0.183625761714646 0.450138334383974 0.77338551516425 0.189938362401065 1.05490911956293 0.324043916789241 1.65991629894236 0.741546718498284 0.259937311760174 9.82763360649997 2.10952493521048 0.0915239546123135 7.43711914267703 0.206490334103803 12.5148709462772 7.90629596553898 0.132927961056244 0.511885375078798 0.588857953351544 23.1972052952301 3.52238740631785 0.53088008685298 9.19262625201373 0.163142642011627 1.90618652377951 0.395872732366744 0.314903341038033 0.890584506548995 0.349430027316663 0.120145163549765 0.381268823982629 8.90268438747636 0.779028332282692 0.920602192337326 12.0709489038313 0.159193983329831 0.297611543041255 2.85961686628844 0.647654444210969 0.300605869580444 14.4001234503047 1.03035914407789 8.61385007354486 0.509026756321356 0.178031098970372 1.86677435735799 3.9890908454157 0.17812303004833 0.209064404286615 0.144629473979127 0.936440603768299 0.227660748056314 0.518460635987953 0.0996182671429572 0.120814947117742 5.17708114449814 3.93222928486377 1.06636110527422 0.436418715416404 1.40413339637179 0.0925964838551516 1.36305771520628 0.163821180920361 2.47139630174406 1.28442162218954 0.170059361210338 0.552580198921342 0.710281396651958 3.684299922953 1.06088901730055 1.94522221054843 0.895627582825524 0.957843034250893 0.728470617076417 1.41732769489389 0.711415213280101 0.842592106184773 0.707265181760874 10.5178696504868 0.194372942494922 34.3852262380052 0.769541920571549 0.32073439798277 0.473458184492541 2.0751120683617 0.499010646494362 12.70679239336 0.152067135952931 1.7294512152413 6.62139279960776 1.22114239686209 0.233259788470967 0.545142536947538 3.26326434124816 2.25165913707362 1.17681848427541 0.255507109336695 1.74407263430693 7.97871138894726 6.0308144217973 0.99701005113119 19.2349145478742 1.78231596273727 1.17688414933109 4.55577152062758 7.40927278139665 3.64038313371156 6.08398998389017 0.529269104153534 1.00298994886881 0.733518071023324 1.58694928906633 0.478606324858164 1.91613696855082 3.01106675071794 2.83663409679905 0.905543006233803 0.109555578903131 15.9037131400154 0.549568361700637 3.01235378580934 8.1212395811445 0.41399191006514 0.230151642501926 1.68692652518036 0.951543566575611 0.249921201933179 0.654720004202564 1.79219198711214 8.97124746095118 0.199613013938503 1.67405179659592 1.20311952791203 1.65206275828255 0.293859879526511 15.3062530643693 9.98612278489879 13.0144900889543 1.26392536947538 0.788208307067311 1.16351912166422 0.204524760103663 0.277938292358339 0.926840372627303 0.171162534145829 1.19962614694964 3.98161378440849 3.20614449814387 0.194863241577362 1.8927864747496 1.07175877285144 4.39232681935981 0.617899418645374 1.03122154514254 2.49395005953632 0.283874413392169 18.1924992995727 3.75014884079288 4.82662674231281 0.667095678363802 2.35267388106745 3.92513308117952 hexanoylglutamine 1.27312251985144 2.3195277114464 4.0523608456519 0.485173784855317 0.594908756199982 2.16474344771999 4.8735063853103 3.18113241379827 0.277646164669655 0.344015889349213 3.13661107901736 1.12607010784987 0.284097870719546 0.0941675301084666 1.48771928198479 0.20026419269276 2.68085105624495 4.89603780475871 0.873929892150133 0.416460513067129 0.156118595461668 2.41747186736393 0.193889131399236 0.393786142235913 1.27330931916463 4.0871892924067 19.6082076908913 0.732829747576734 1.39955285805623 5.91536458217289 0.298216904304031 0.201271625629935 0.127930080018908 0.307951144849856 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2.18315337540867 1.66468626866516 1.28179887259986 4.22600198671409 0.447389901059134 1.17091541066759 1.52593537254974 1.64407085484396 0.930577886173198 1.15224979125005 2.33764215784692 0.729745355088151 0.901053683983297 2.40264364468004 1.77166203855239 0.609764909865855 3.87673221553276 0.407140963823739 2.85843300676508 1.20406595604824 0.638570143962455 1.51708306263802 0.700715539202704 1.40989196863354 0.922894462754617 2.60717005333718 0.316458163144528 0.555606975964143 0.917841106097723 1.52469024901993 1.34457070361867 1.00383677206437 0.737107779289161 0.623433984093256 4-vinylphenol sulfate 6.10717568692972 4.3286717608453 3.89829304247449 0.759455858399063 0.768891944839043 0.868804516045107 18.3868389196861 0.204209115154051 0.635135830117599 0.990098462195366 11.6746473352369 1.8121590417493 1.66727876906482 0.183514896820626 5.13652764638489 0.752367340958899 4.44087622407875 10.0925906798226 7.53185532717082 1.00990153780463 3.00714772527392 4.26224662180413 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0.151495835941798 1.60646519833817 0.593273006658699 0.459510936581109 9.03802477567204 1 9.1051695027792 1.29273613719576 2.12790393261624 0.575182592529357 2.320497789919 3.8871853243033 0.349936448314458 1.92071784948684 0.152512662910478 1.42143683721283 89.4392540739476 0.147769999810294 0.347500616546203 0.677964647085916 0.848833250848922 13.2545878973913 0.0906594271100037 2.19554813036924 0.828024293327917 2.21065565094504 0.110181055666965 0.493524735310861 3.96882089249087 0.169867347902083 0.0684201040733949 1 2.24152293877177 4.35968543401581 0.61854154210567 0.101281321428878 1.41146466568067 0.308987558680745 3.31800172216008 0.168800295227442 6.5865156582113 3.50877815316926 0.740031067538999 0.397364122427845 0.152657190018337 1.49780724966458 0.165064180500685 0.397212503683191 0.105626771865283 0.95134754735225 0.103160821716381 1.02152986174087 3.93546476866699 0.153395258624389 1.93112503969264 2.04101716152546 0.222936769262017 0.713826771293136 6.07824957589662 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0.959816768384223 1.08050881076801 81.7724827432782 0.377620789274308 39.2331745989767 0.89069342696638 0.241475093848253 0.43280962922745 1.13264301260281 2.531489919772 1.13233187044663 0.140169541360905 0.452666721635114 0.178650825382355 1.07741372416937 0.557457844127114 0.81305568044456 35.7452025768793 15.0165216484934 0.260898142948041 155.268874272122 0.387570337573682 0.359324074779906 0.683065154723216 1.77347839817795 0.0563882929652314 5.58447120612701 2.53990087010904 0.251528096914559 0.46948162161069 0.658157447265294 0.197442255905089 1.3668996084276 336.405199652143 2.16330684995014 4.8051923403024 107.828510111342 124.721824910974 23.752682434314 0.833430046686881 53.8718763272158 0.320810898687447 0.230543892046118 0.994709027634091 103.099622273422 1.00529097236591 2.12815556485525 0.246551378126395 0.475338094845464 0.778276210226309 3.04131034407655 0.31177066333952 0.159038757422685 78.3729272098483 1.0865597478504 0.311634538646189 0.162628560049658 154.386625243274 27.5326092536789 1.27549071007307 124.956647007668 1.6963734825986 0.197674056811446 0.529127572951168 111.026133607553 0.404538475061178 74.7004510005554 45.8150034303423 0.19294547389284 0.0821570863403926 sucralose 0.32122306971765 7.98143734109461 0.17029221865382 0.375497624782551 27.5711854342299 2.37220870132477 2.81289099090058 0.609690719925064 0.132531279272046 3.09650157232704 0.4686078214907 3.65823422654891 7.91374364378429 1.39030928007494 0.0911385153218252 0.302894587180516 1.666066589723 0.368808962264151 0.412470309781881 7.57227268165396 1.83430767429413 0.50097015923993 1.53809129532985 0.394739813327981 0.212804173304595 1.81740056990736 2.33479280986544 1.0702301495573 0.559644172332768 1.52720769687315 1.81683309211189 0.46658128468643 0.486843886337842 0.795336616721679 0.577577858994783 1.81310370439787 0.115883477892662 2.69238364969787 0.794276283593124 1.59368589843709 0.342529250269856 18.3608568741171 2.52301148491759 4.30175761930049 0.829992676586248 2.33153718801737 0.164089588604629 0.38982253737197 0.567104683166908 1.6700420315358 0.223299909411801 0.692090366066563 0.115439213930452 0.581909432626329 0.647332507280029 2.82576349191474 11.844717597365 0.144672129725077 2.49341586924756 1.08745926134175 0.999458553296057 0.514169590825949 0.502580548874242 0.78211455762763 0.544004692538101 0.0944147690000937 0.742354668415956 0.702665930854479 1.14736895080818 0.0604268404849419 2.06183425483397 1.05565620910949 0.763262841137455 0.0972833952873312 1.60557516564451 2.00563486361443 6.57108744017187 0.0694908665576832 1.30529611234325 0.240954195691334 0.470043419860682 2.60431699622029 0.362720700271071 3.25678457015726 0.358269383618461 0.0909040424549749 63.2155044651999 0.381282603942149 0.427097325045034 1.0006559835067 1.04930115196257 2.08012022893477 11.8696987682088 2.32231176917711 0.131163728624135 0.13198284030446 4.17063033420451 0.792761274065744 3.83852740379776 0.645709902574301 2.83605965632018 0.756217092361784 0.603471853448426 0.308563882034035 1.00805401972115 0.296879392746697 0.423314139741841 3.4910348920751 0.206535886462791 1.00054144670394 0.101635793792105 2.99741424490745 0.147197145604043 1.46659863874745 9.81128152799037 4.44806103076181 7.51607159591416 0.290296997400362 23.2133421491963 2.01401513968284 0.814254278643745 6.64544438544064 0.837295265465072 1.87253095096784 0.242781578317142 35.7850630125956 2.58128642183557 3.00962976846212 1.15450841151338 0.988791011984715 0.493467931430634 0.096351482210352 0.750129287754628 0.687770940277734 6.8500678543786 0.196192866092594 1.2625669432904 0.299449529184324 0.290911331160605 0.101326891505881 0.759212403294495 0.24737693367625 6.02115633579414 1.65711152066695 0.417498793892759 5.90166321320852 0.689685093208662 0.16830836083952 0.957067788433171 3.06400698327416 0.29245931340393 5.79218338383365 0.183076666770791 33.4848325506652 0.198179906079822 1.44156540572059 1.93133865755926 2.50324000319315 1.78226380255244 3.01740091698858 3.68663945549898 0.291136933953915 1.57974538121666 0.516824762162594 0.22306562958798 0.608405612997498 2.13010860171389 1.60156464214191 6.38421717566128 18.6687422123651 0.269001829118032 6.47223870858019 0.245100080869924 4.2039206294665 1.88842206464735 1.12124414734292 3.25849220976201 2.29424851709549 4.08760156464214 3.48097647830569 8.41834046585241 2.20706692073012 0.860351870941319 0.413750316711614 2-hydroxyacetaminophen sulfate* 0.0455796581007703 46.4538333438565 1 2.1054120232984 0.119132979227175 72.9969180136381 1.36841871606263 0.0590954113524435 0.736092585869428 0.0848167776865766 28.7134186766006 0.215111598686703 45.0293064938755 0.172079216125774 14.3871543124132 0.175019139095845 49.4404458422781 0.289161155133224 4.81469902291956 16.8183472897462 1.65673834290946 0.868740331796944 36.6979564575704 25.0953067780023 0.612977885465337 0.639064275792398 0.556338000378836 71.0080867612704 0.477118914951383 0.853327475080013 0.599323646492598 0.0100139808752244 3.26003030877722 6.61471215567773 5.30232650192541 0.945197507075715 0.871450805981332 0.0232344007997587 0.0644222757521284 0.038456312995578 0.0862297168747616 0.142638339823165 1.98533376036182 3.38513940884962 0.874919655662301 0.0147437753439017 0.295640386137128 2.16732507985537 0.00524437077388202 0.322390786709169 0.0603996162331827 3.42438458361987 0.0242155883790043 2.42389666748976 1.15699990837748 0.162078031421985 1.56518220716213 0.0531069523566372 6.16952518461007 2.60801509641146 0.270601592089775 0.458466648761274 0.0199632322423734 3.82336376667993 2.13090949266385 10.5459906065376 1.92373175859014 0.0274683625797783 0.0421924629473045 0.0308667781737221 0.542643299314251 2.71680560809007 0.0168829924498151 4.0629969459547 0.119551792396169 3.92110613881383 1.5026750400572 0.0422140006433368 1.92675774667269 0.0134075068300691 4.43874859699373 3.41604053091701 7.75827789705005 1.67793483997084 0.0151247015137275 0.158259805385379 0.363657128727084 1.25044428774315 0.370908230671286 3.84171958827842 0.0430720158852732 0.0652185884054316 0.0650665439134413 1.19620631529487 1.78582298039569 0.940361886846533 0.10570491656704 0.267346722329387 6.28604097680553 0.0771859801007988 0.0990962200644943 1.29354098466388 0.182766676550723 1.14161023499256 1.06223369657531 2.12034472887009 1.13178520374253 0.0574775911914782 0.00961663948842267 0.920338698315205 2.32212348643841 1.04588006576797 0.0163636429254897 1.84129255979709 0.00293401629949552 0.00311970616528773 1.43413219558417 0.0274946734949313 0.130246946565908 0.0481319774131271 0.00417260845132207 1.29638628893972 0.248511599679193 0.226397391913073 0.0343160692982937 6.69563195733068 0.0601537372384785 0.664426746279305 0.368833859493426 0.0189141718156313 1.03445740315226 1.92276675338791 0.00665980487313075 0.0856627515792079 0.233113311215866 10.9233982153516 8.28075690681896 0.133852007621783 3.18929248202854 3.93661758749631 0.492793661537552 1.68924864990661 0.055065019975922 1.97059557317688 3.05328123306453 5.20362657546791 1.64980276709333 4.35697729961764 2.34062564794994 2.94378509989591 1.91929883506677 2.14456765170775 5.78968742516378 8.31177619516459 0.00574346322193921 0.686867861345203 1.73134832613101 2.56015181630883 1 1.40377242641704 0.0217713509292817 0.00968695715546875 1.89197704523999 0.0274974675744165 0.00581901978802018 0.2407529066285 0.00575952917897954 9.30499100597456 0.30704977687529 5.00811703374468 0.0388422452244816 4.04460515058284 4.26834129820617 0.00468287721732036 3.00838037573617 1.23713934691419 6.0449636076968 0.00396002557048409 4.25545279164049 4.90986031814553 1.67286358570507 0.609635313252983 1.11497148117995 2.32221068500235 0.256231641297007 2.97383158290075 0.0536082567842869 2.34081634387481 1.52126591359239 0.0249257502481783 0.610253270499142 5.53734456041039 0.204095282301567 0.023863185103924 0.108496900492701 3.73891748745662 0.00502480269433085 2.74006794968468 1.96600373638279 7.40493290076326 0.32402334406842 5.82184343818 0.999224526522858 2.03919674405918 0.00408296506783618 3.30384717968527 3.33620657840402 1.19452020474549 0.0179916599055764 1.99958088807721 0.427074234384385 2.86741464174488 12.271322348177 3.87866605057214 0.129561349312208 4.45699475097243 1.77641380130905 3.43837186194314 0.271296619361737 0.570010027252753 1.11605942587953 0.56223037860592 7.49584630979519 0.03970573220541 7.53993502135317 4.07906232089514 0.0634381776734189 0.0202255264540535 3.87761477816581 0.0116353619165336 2-methoxyacetaminophen sulfate* 16.6013425313637 0.0320574198465047 0.598355627433623 15.7028767369833 0.16423484098516 0.050396087012633 2.48034189149471 10.247035573437 1.63038774532355 0.0626791525722303 1.40164437256638 0.435415164528757 4.18202068426993 0.241011798190958 0.427933741973193 7.90173197462357 1.90398241657237 0.0694928580851448 0.0575372857747785 13.6144554692725 0.122447915377882 0.359343910876677 0.0710547323847434 3.19975142402249 7.64432145550468 7.44052884506001 1.26225230627789 3.30542012877524 0.0516916136662981 0.0379652973453952 0.121358319581221 2.84104041203029 2.05324737245659 0.353754771029606 0.286627798161222 10.1525709794189 0.119644958838323 0.00910255071037959 19.1369883147037 1.23649758971977 3.0578404148203 0.0823819783080592 0.796410495127542 0.042936982967198 2.70549409706786 1.64906529088521 0.827027123976937 0.43101875463236 0.012238148673611 1.92062557844816 1.04650719031922 9.85390365422298 0.559008977664864 0.0207822005782945 0.00762268664330925 0.0053348842206899 0.299741476333385 0.580049751731255 3.44390807006694 3.67184068285987 4.68590528703899 0.0789816622073673 2.36219486210992 0.00811824431092656 2.92739316240026 1.95542937066003 6.66786144114613 1.91008517978663 0.131008242299799 0.169841928064756 3.07113311818203 0.130436789908958 3.13044077562746 0.0912543537746996 0.0257198415211893 0.05531164249965 0.107432053048585 0.581083547468828 0.507535914229995 0.0272888860398382 0.158111294214281 3.07487604000266 0.0332070137352842 0.0696964327321154 1 0.0595776898742323 0.730556627178714 1.74749294154163 5.45986655482298 0.690952369169205 0.0177462455777208 0.94130049676999 2.39039597947289 1.2760201404999 2.24755297642663 1.2073852374633 0.078496567050829 0.0338399126197646 0.0150719945315942 1.41511225028851 0.258836213374776 0.403095973278415 4.86932622591152 0.0185993554096746 0.716422605068937 0.0592447163073514 1.96487319851751 1.39977636797748 0.0501136012810099 0.0272888860398382 0.132428984875693 10.5455344258963 14.635807628632 0.0939948673909935 4.9447725558038 3.81808915022655 0.184615159779982 1.12095077986395 0.0109525883837231 0.718969811337675 3.74609146327185 2.251840945253 1.19039810518942 5.53828307536047 0.977663203132642 5.39101210512532 1.39846008444077 2.44793896004965 6.80430952492062 7.07949299667741 3.58185461792819 2.57582007403804 1.97055832775194 1.64896863721143 2.4681347617927 0.00766071704072358 0.697138702505805 0.0299845603229362 0.161511444243369 2.11194753997302 0.0768331938608642 2.65695302780919 2.03665100666794 0.928307054439434 1.90689494426554 1.02118625279187 6.96670015223784 0.0129897887552585 5.6742415800451 5.38867032943126 0.744235613092355 0.112826556975265 0.241040976673749 1.5403235971641 0.129542494319106 0.863328383845949 0.37678840434915 0.694632681994965 1.53653201636337 0.526425064589399 4.68427164066622 0.0553054978502861 0.0466986708791283 0.0186460215305192 2.49757643404076 0.928727713813454 2.3123733807811 3.92410959463748 0.0802791796527742 5.78404065167162 0.668550472232911 2.6569008813254 4.27565046510844 5.4483269033176 0.666956350901993 2.72217349865872 1.44078791676292 1.14692919487324 14.3539731551894 5.75438009704892 0.0279790796278468 2.9760458317771 0.0443640362640598 4.16598890077039 5.5499446234235 0.131672694789121 0.61296846516125 1.06806926315192 0.155320959116658 10.6905139401335 7.64930543042522 2.14610049756713 0.0117726499663954 1.11481376979387 0.00957967442990524 2-methoxyacetaminophen glucuronide* 58.0218643768487 0.4078627875149 2.61625866407664 50.9516062572661 0.619271776080526 0.239553441349168 10.2545159889924 0.0538147690315365 8.52342243903875 15.4066652686416 0.0668807852486277 0.965639854016747 0.0632900681353288 0.247588406692861 15.8009635336188 1.03436014598325 3.06246964813916 3.01270731240711 0.478779450502553 0.385470472238165 21.4562454932085 0.0543794975939252 0.282365869419314 0.213751362183255 0.0707353313824137 0.0123392270080734 2.98784218937957 1.8460661146227 1.60574598959519 2.81483336946404 4.16153672995297 0.0109003786859046 0.0611148536331752 0.0997086935481925 1.87588039999817 1.25906218545998 0.456563049892419 0.474866964783168 3.26218579284995 0.276556800181083 2.81071446849784 0.00897969509564097 4.71158372761578 2.63554862437695 0.0888919494813613 3.75527844710901 0.0952781392004614 13.2206822171579 1.68956993081628 0.290232932816435 0.914028188611461 0.0392354547538791 2.39907569182682 1.49683291092996 3.2562356682094 2.70972753838351 0.0531371095958867 3.98080481469107 1.26081019060787 0.11658457852521 3.85123315292944 1.6948143623526 0.0463414847266958 0.956024417980028 1.97876471251536 1.28349472873049 1.72522906939635 3.57942147312603 0.605074416086807 0.424043330222347 3.53391966333113 0.174667781240131 0.611109007531693 0.143329348552892 0.0277725188292318 0.138249689698919 0.26693715461711 2.5396892037693 0.359040507033838 0.0527638745047978 0.0583461732584755 4.72103069473739 0.0825881461034381 0.216415603307271 0.503110500472057 0.213850808322352 1.04566034108777 0.271549541445115 1.17042280420636 0.972924852422346 0.0129949889964303 1.98342578218133 2.23050158718535 2.11729776129681 1.7883461607757 1.759355738812 0.039969858249723 0.0959039425192994 1.05662937505799 0.288399212586303 0.0330369228119041 0.0235358636481088 2.16242924864905 0.0609163774476129 0.271480886160801 0.0581447844244877 0.995925620945437 1.56001532885257 0.119025377905731 0.144275127105897 0.074478084609108 8.44443145310782 13.0466876737967 0.152750934023936 2.23418400698037 5.98287945255525 0.439902700898885 1.41215889246128 0.729107468821139 6.78738540288793 4.94541239148824 2.04253132449358 2.06728217862774 2.64374356876825 9.3738575656667 0.448214567319835 0.406568271854953 10.5311751163291 10.0330227756624 1.09653432285709 2.16348445956433 0.71254614987407 1.52307046403899 1.51341253795285 1.18985474622302 0.0405344959516267 0.0641893620925465 1 0.0940951878470993 1.17248412710631 6.25320276901325 2.46924097630311 2.31459224378368 1.52691890479426 0.574320177455186 0.0408211837752168 10.1163740356533 1.46732736628759 0.520293461811642 0.178664350972471 0.526615573265383 0.607701624966557 0.289020022793554 0.612968941597654 0.389618738482036 1.5642636346274 2.24089807769365 0.271709737108514 7.90891773890271 0.241059521634945 0.15565234794831 0.00934044740776371 0.45117090547166 0.336938914688944 1.6347326667252 17.5396426013945 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4.89498773888043 2.50159719202242 0.478659309994927 1.12907961573772 0.698254904447827 0.330801079944916 1.19032481396922 0.662410382087893 3.14223955690851 5alpha-pregnan-3beta,20alpha-diol disulfate 1.11186868448679 0.547028228115168 1.39515126727193 0.974027212033871 0.0632699755903677 1.83585922086252 5.59801833040363 3.98271919249733 0.278415507210806 1.13841965341654 1.28925203532343 1.5390603284975 0.441334901639999 0.199298034927268 1.44596857754037 0.216667144972103 8.86464564892234 2.92786023473625 1.10237134470121 1.18334317037032 1.02597278796613 0.682352275365859 0.878068438082558 0.309111076369858 3.45477876299778 0.0942742022718237 0.365781239683403 0.0905514473689756 0.384542318892991 3.04349281508304 3.50231402832384 0.0589808802920566 0.696575406658293 0.0727677167511327 2.00791150640324 0.279918255928462 1.00420955576717 0.0532549481952124 5.63983380501341 0.379986983230239 1.14721308647705 1.24891682515295 2.14087185683687 0.347045842324596 0.713617283851826 0.713864460217497 0.130154805313047 4.4621042177357 4.02714583316662 1.30246918519823 7.59441914887753 0.102045162145029 0.827491791166201 0.715596028462625 4.26615159735503 1.91247600477637 0.500966921934057 0.355987313984225 0.0473044883849336 0.508979259413374 1.68751706005941 5.90397464930742 0.246113862948707 1.76927997880329 0.508140815842049 6.28052472519412 0.470667367296077 1.2437896938125 0.554985627316723 4.85439667183247 9.76412395094527 0.706987533597759 0.748786123981176 0.23990066710945 1.85130830094701 3.46673521809758 0.285089930408294 0.981139909825083 0.0561739410315434 0.493710339529636 0.275974190519631 0.373428362865574 1.57854873686653 0.242118141411555 1.40172205462242 0.295956799261672 0.735960960360202 0.139785792338066 1.55916406375728 23.5436177373049 0.386874579333389 1.23631394243636 0.233880855657005 5.25866295368644 0.0884246774481797 1.38195150186316 0.791476949914777 2.6937978292936 0.841856916892726 2.7934468032894 1.14897043930709 0.423618946512991 1.24725060749371 9.41731995024464 1.37566406420184 1.33841912042557 3.66820262771594 0.89111125337089 1.53182128970937 2.13074873988955 0.0511570610196648 1.77785868802697 1.05495272974287 0.646163920608374 0.478922880084787 0.202270732806794 0.226571370397341 0.182470838968154 0.461121291576532 0.316120344659879 0.980677120982162 0.124705366661243 0.939697413450484 0.346484805321938 1 1.05773613122753 0.0597233225126989 5.86348173695633 0.984687068497194 0.667506443923418 1.51077929017705 0.260088218845331 0.159284273270366 0.876285117048679 6.41066308172024 0.182641550702719 3.38823093741192 8.52818699692274 1.31788481047886 2.68850665464572 4.13908871942193 3.53577477787469 2.6804792020649 1.34703561740299 1.16042724168069 0.936885560010065 0.563691481217708 3.4833427135875 1.65732064376106 1.15934962385625 3.007001848488 0.242300411753147 0.497420652385563 0.904003990386795 6.0772532837558 0.148556107701322 1.21178079901983 1.50098025878832 3.16330622395424 5.36993455161051 0.527609511133161 1.66777540381772 2.6120847014723 0.404883333644527 0.814675518781403 0.244323167983014 0.167703829366508 0.891007670469448 6.83948206771032 2.15010496104305 0.336984964030504 0.505139579071097 0.175601469899165 1.32829911541091 0.954439083029031 0.526778625112585 1.82440564308978 14.1461194644275 0.389708216302437 3.6290207281389 0.346565271009324 0.868466608517982 0.36489811087905 0.777126050166133 2.65214149868899 0.669596773548217 1.34226858112764 1.15594116846848 0.136212849081046 3.51262555536884 2.06051064147602 0.0855616993997526 0.425091779785419 0.493087063873752 5.43483035076816 0.905828472049954 1.59497173920582 2.26645345482318 0.402964160316101 6.50770247789861 29.5701785271312 1.55398047306711 5.16357651753396 2.19603753168614 0.353731607366567 7.26799074955788 2.34492972811489 2.72231869213472 0.295835878449689 1.07681539037417 1.44296805467755 0.172906980776258 1.89008965033436 1.26362426347222 0.432602206982643 0.0812049936738855 0.111372068892854 1.68175064883796 0.10242526249152 0.127900876942624 4.03241966990397 0.836198978752613 0.877561454001634 2.78643561900342 1.50659952005107 0.160850464522634 17.6759855713019 3.19203691996909 2.30000586821588 3.59278004948862 0.197569936240945 0.354389114281726 1.35968695735674 0.323864166806704 4.41026919995768 8.66732017252555 0.181286081747804 3.17886855463176 6.71651938333942 0.30287684837686 2.88687680214243 0.161685796161298 0.103869199246379 1.14955237071476 7.24317130833651 16.6175083555392 0.321008301747217 1.22314513253721 0.263746962531442 1.64576381498049 0.803639716440696 0.244141786765039 8.75747241716258 0.679670544134763 0.168215075446585 26.3968309856024 0.116778829611017 0.35402146166588 0.376797252252372 0.532617944470674 0.591913598523344 0.98508361763061 2.03237343547586 3.31036860397812 0.43879762034955 2.05288951838841 0.114077227499171 0.257578222873061 2.16992619384851 1.58223237601393 14.4392181758206 0.0473787302069969 0.879553090904888 1.03154566138794 2.43687755789751 5.04890713370552 1.25816326621339 7.80457596360995 3.54538798242736 0.239940677672239 1.12942972500296 0.32222817935046 0.562370688083876 glycocholenate sulfate* 4.27551429565443 1.68213752889486 0.63731634101037 0.857194105772581 0.938557070599829 1.70062641973194 0.367327952822343 0.565490256291609 0.441444570728346 0.830393543830081 3.74075018301794 1.06107162969174 0.907281026597212 0.429866311788449 6.77651309864228 0.151145577497871 0.938928370308263 3.18558219406422 2.55071707140756 0.644408343980521 12.9166926830932 1.11015239048736 0.125314605856833 1.85466716222547 0.373525536597647 0.254130670778073 2.46005382152729 0.073214379931026 0.403851568031729 8.88276859679924 1.5811520732419 1.42410128509347 1.15944745973682 0.579857049304427 3.114327803773 1.10230498253919 2.71728023846086 0.652303689778286 0.215595673897127 1.83215966025589 1.20292344105694 3.49429046939155 0.233962794402291 0.597546663513159 0.438144832971318 2.11888122346836 0.851683190700861 4.33299416890861 1.84210969686325 0.702098601616289 1.71387918006473 3.70626171913721 1.34406847749908 0.823531314508514 0.730229817693615 2.70614068007951 1.2221706685495 1.19285194801581 0.239389100571979 0.630705104683133 1.43832562636843 4.93929828649736 0.101835863385859 0.0641022849600276 2.10481704146457 0.823685256712364 2.15318056210121 1.08332989577772 1.50132381252163 1.51985176193565 1.8392905302589 2.73630173506707 3.46695525902532 1.52027560732565 0.71310877341871 3.92377238396511 0.224119466941207 0.519910403272228 3.36874528060714 0.109395517728918 0.0869731714146092 1.42646713772193 0.530514607292603 0.748901761848698 1.54265885941557 0.252307863538897 0.169945097657303 1.74772719605023 0.54613254124632 0.670134899421065 0.285337126817977 3.67940231748058 1.48530158029011 0.811017128070105 1.63392724787443 1.17455334674734 1.01013423857563 0.133529384144231 0.172815531954485 1.282853252316 1.85205931609454 3.29855514842067 1.27799214289565 10.4947673215413 17.0064170178133 1.71155717791176 0.594680611664618 0.707593287897312 0.816665547866947 2.03047881729537 0.312470188045306 0.418123651136219 2.70979689437429 0.0326278170710287 0.714530634533348 0.936798690830422 1.67412223205761 0.821799690793901 0.129018940177837 0.117048525184298 0.506963258733159 0.67536656922095 1.87393928221752 0.380964034357006 0.254319059651735 0.98803862815445 0.111435791040675 1.68438321383045 0.871372489004749 2.45993116773127 1.91451080917045 1.60704885560701 1.2234544477506 2.34999013949056 0.257346914286609 0.807039951584377 7.68147702431737 2.930373742872 0.038777853330574 0.995086162070603 0.569900438418771 1.02232321949981 1.3648438578765 1.62254950688758 0.221832385252017 0.365542475840013 2.17112564584598 0.741859306007954 1.33864140613995 2.21310533006621 0.336826098525097 0.995427297437833 1.01616017501969 3.67643407805976 0.212998412231901 1.63517457623287 1.34952295655289 1.46583293479716 0.183996549691229 1.51613829755783 0.561667695614595 5.48696071969545 0.389540347222102 1.7577417868217 2.72930157333384 3.51000071301744 0.739701054396274 1.50035271755292 1.37660356752188 0.319493583712595 0.49833880849569 0.551647470266303 0.145861246806638 0.201314665029625 0.0387545498338322 0.439355084423004 3.6588500246078 0.138690934765861 2.05334539086399 0.43568920091614 0.793323026463381 2.56113581938747 1.44080254460272 10.4134011801308 0.220097213840886 0.72607880407846 0.749917446493259 0.390268946699338 1.01004262453024 0.910417741265102 0.276633096878201 0.459357553898032 0.291636653270055 0.163150771884853 3.37109371657731 0.973493559365658 0.578417831696582 0.977470248912648 2.39073195587639 0.88711542708875 0.279070503512046 2.43172927597427 2.25723359668603 1.21446187182729 3.24887654537834 3.61197611913304 4.68987184815859 4.8790847638608 1.3269200255295 0.651312630321327 1.57535255234157 0.953579712740926 3.88253889857936 0.335174611014206 5.38766959815381 0.425453192144287 1.65603127537951 8.52703779514139 1.48328781035823 0.721381584324746 0.274689098311192 0.0719695454600789 0.52292267586749 0.626346029101546 0.212517247196189 1.7461365063189 1.40268108469082 0.063158388997967 7.02457642416538 3.94150627542298 0.609912890137925 0.780421445477644 0.47727773420449 0.576763144302556 1.66658755071554 1.14449489670812 0.410396002928589 1.13819036174331 1.52479773782175 1.12888934491088 0.680900558414388 0.225764345997798 2.88594392204806 0.64398969776756 2.39704233410606 3.23898167197372 1.28513511680443 1.07632813410293 0.877435293667536 7.09742030291068 0.558769853622737 0.5422331358333 1.94351691503441 0.307103636215025 0.418341521440087 2.2993156076039 0.103244785842604 5.18167990386438 0.0159152448345365 0.683010603091018 0.424860100761537 4.67331954832954 0.350798527358131 0.639850301119437 0.350275902967022 1.1113687326202 2.88256985397055 0.284237132209084 2.57932353774906 4.18512478674692 2.63538792496274 1.81222362313724 0.16193384241619 4.59408912022344 2.35950339205003 0.856771283135746 3.27731808055706 0.226310065197619 7.92710527093793 1.18165931331204 2.09379073112112 2.82637872355966 0.529265331179209 0.923481125037173 2.17211280979303 0.370810318231856 1.00457270256217 0.989978731211556 0.226830185332362 0.106397505482409 taurocholenate sulfate* 3.72775667541664 1.49869005933012 0.671342971734411 0.272837051662184 1.53404322440584 0.720322638449234 0.526634215439328 3.49691739547616 0.187384511664064 0.612915562273368 6.09905794473595 0.35868859827143 1.30914095318028 0.75432219489016 29.8062036027873 0.404894219023181 1.46837564670684 1.45170450841436 0.815896449594622 0.788255708857521 10.757601387154 1.49492419693368 0.0941417115549104 0.872245355651496 1.8638255299368 0.0418532382924483 3.80620556833709 0.267998785290218 1.1277546443485 9.10162514934084 4.78529165974629 0.83766963104337 0.792605339547091 0.497951078120449 3.1208170397444 2.05977197656672 13.7474367945984 0.13194650001394 0.0690780664435311 34.7807501060469 4.44131965834681 4.81502715986661 0.0931233424662041 0.540206334015673 0.952558494579296 0.255888447728513 0.637938804816319 9.51656484275948 3.37766608773047 2.09220702878184 0.63481908679909 1.16617505693312 0.830003622312548 0.32641885747498 1.14992966347103 9.93841075229695 0.791670240731564 0.348011408094688 0.198010281129269 3.40394275528411 0.526463337892113 10.0247929187689 0.0361891562853212 0.083476838937841 2.16687655284886 0.850016819024202 6.2948340225626 1 1.34984585142665 1.32154491897226 0.599570813112494 3.78647626541392 3.45639364870063 1.13912094347195 0.225330807079223 14.2897986769746 0.0436040546399837 0.231811979866736 2.57093424792363 0.594287535132212 0.040694667893973 0.24517960570738 0.259121289573177 0.340223596348547 1.54793112115541 0.143805274048614 2.58616558615074 1.66498661581685 0.202093314232249 0.198356809643149 0.0831852166064924 31.3388593806732 7.79797067176646 0.206666977872915 0.949041507898959 0.872721593714973 1.14427656991891 0.16266277039292 0.147590702823705 0.907091475302419 5.23151394825338 11.3576887829981 4.66068427844784 8.37351265934677 13.4738716539142 1.04011665747825 1.10549646138199 0.0927647431378755 1.06249156778836 3.33305331892384 1.0819382907919 0.448882183830386 1.64718355318417 0.0194994927587398 1.01053888922656 2.06360518053719 2.87560374101245 0.561801021062717 0.194149756933321 0.425709638374422 0.173086826650179 0.174985042338115 12.8015017588672 0.573930373619481 0.12585842985623 0.264683584963525 0.0672681920259345 4.28537595192526 0.267982656055602 0.995935981100309 0.722966583178647 3.41373827461915 1.81314956070247 0.435242911253984 0.222088137668814 3.00951361774807 12.0690674911282 0.147689833052091 3.3681604815849 2.26939857327246 1.61133152513245 0.49623470705255 3.70062179649397 1.15247745989045 0.658564408423805 0.675820652479863 0.125705888944448 5.40025720448697 0.638414800826755 0.95521386011507 0.197920871645262 1.78085831609148 1.07536172652384 0.427347637212847 1.88154172714982 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0.348893325298942 1.13979231576225 1.62100868639308 1.28618854206246 25.5121595295929 2.34664580374159 0.333523653401839 0.194906799959792 0.788577334877401 0.708749941114722 0.259207708058914 0.224197966484369 4.15937982932723 0.398080505495799 0.215628008690559 6.11807884335533 31.0663773018269 0.667155196384139 2.97569375937825 0.126919059207131 2.77680209515156 1.74959949999055 0.690644894478115 0.587726139498237 0.469302156306792 25.9038608767065 4.20843273506603 5.19565764734699 0.173861815666272 2.69569701102065 2.46840442954025 3.22043689298091 3.07856871759774 0.669706197444555 0.278649303636851 0.334079872258737 17.6615767709674 5.1734113499625 0.108744258218008 7.21047900516834 0.113231823837038 0.380336942364425 0.642895743521044 0.525997062626056 6.09850094371337 0.00227038132984697 0.352945593848286 0.0298702451539686 4.40748954512578 0.212738170254672 0.0969786324151788 0.152578833367534 2.97829475283832 1.50395885326408 0.389058372856349 1.24770689242437 7.98016316536492 4.17241513389578 1.07457520080014 0.0440428768147749 4.21679257523135 6.13352980631257 0.530793982923323 5.41431863510494 0.258148467385781 4.84307567343127 0.382063068830455 0.693299832728422 2.76832998572973 0.810617787488078 1.29544803177893 6.05540567924342 0.233949795880391 0.528628500175668 1.81284544027121 0.0766461466381767 0.0427871916481073 androstenediol (3beta,17beta) disulfate (1) 0.930741413150457 1.44919280376357 1.03509361539899 0.704925927869461 0.672232364566586 0.121184341215821 0.579257599660689 0.232885816751556 0.216329404237398 6.41813334961487 0.96490638460101 2.0290675364526 0.921112013600626 0.273207703541317 14.8192516096914 1.25905889380838 0.65509704210943 2.63762186656729 2.8885387193442 2.60957822469123 1.26671080867025 0.611322432949962 0.235559120554726 3.91134307088711 0.162479110298078 5.08129781103291 0.341842238911805 0.72394133478952 2.24871776090033 2.55144102025291 0.339085660806426 1.44491904374005 3.80409462092264 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0.960908317018852 0.626021441715821 5.62524180535307 0.690752340214991 1.60501528024047 0.934423536088995 5.98278240906808 0.128429855236206 0.186948546823174 0.347567803843025 0.316281968129526 7.96705518655292 1.39846426901649 0.883465520231504 1.41371328616228 6.88973915949354 2.42675792328973 0.259414241360941 6.22918005850476 0.170171294319599 0.272658744936417 1.97015797665168 1.18406043185116 3.33591568966155 0.0887578444791547 1.87195246562895 7.17167297210402 0.354224609214437 1.0376667702767 1.34009153420126 0.434992191042234 0.386841873621755 0.801452589381153 0.314499043783667 2.29054407880138 0.862667711456141 0.955271214273281 1.09259472918215 1.0848101989737 1.35858334769826 0.00365355123188344 0.163447714654883 4.26199152622385 3.82088274229547 1.23357889537434 0.143671535662181 0.23176653962477 4.18183955266565 2.19373159787114 1.8779621182165 0.711576283941606 0.310708224890613 0.209603796674745 0.597643820881863 0.362401670838201 0.0744235844369645 1.74229501149879 2.2483999991818 2.02854000915332 0.378141741065485 0.660176374406404 1.08035640432501 0.584240343773672 0.929415159803309 0.885981744652026 1.03434922052677 0.469056378313461 0.534184034449044 0.481752081722404 0.894758659193153 1.44003723402214 1.46747528138222 4.41364098397179 2.0934513165786 0.332195550090094 1.00381189928388 1.05885082185039 2.57635245710212 1.12689213623829 5.70010102866052 0.390863173708455 0.484620198216193 0.779354490708999 12.300923982099 1.16892663839731 0.888661642163121 0.573719690408681 0.492080560361755 5.90904702247425 0.0595689920535379 3.61401730022201 1.14456186520786 1.64103874361141 8.53515366480735 2.22510337801683 0.973805425220306 0.0539665443209469 0.311431314415111 8.32995991294052 8.32403448048695 0.844359992150048 0.980299740843051 10.0052973821891 1.33607851750791 1.00573581036547 0.347397977374536 1.32922957122062 0.776850843522457 2.11992876078863 0.178188570976197 3.39871344701226 1.26537630669896 1.50363083951972 5.6574858775328 1.16094158245034 1.30632355431415 2.4650997563144 1.71870157437386 1.52163846331829 0.0689087040054653 0.254086464189766 1.43148025202681 1.90015998951627 5.08981664810257 0.336998193932868 1.2274446537889 0.0997434159743821 0.604661207437115 20.9606388531618 0.630104917967274 0.401842355157387 0.438939481545115 0.492666585083695 0.596702185012092 0.358043693074175 1.75779476188972 0.523035229390237 0.571930747923983 0.396520190407827 1.96314042104759 6.79133944515904 0.987236051572813 0.585197430707766 0.267167903250507 0.335903230761764 3.26348556300052 0.297662725614066 0.556357190807847 1.24816852059998 0.282878660408276 0.233552743518198 0.417675334629228 1.58827214179357 2.27411668978494 0.25013329078712 1.21165271937633 1.79130406323603 0.371754771458557 1.83261679445153 18.6274578159319 7.80825780273254 0.695381539944019 0.560526510062184 1.41926038730341 0.0324144734142885 1.33628658282486 1.70096645731151 3.10586486056234 1.12740712663606 0.618364171476994 0.760866599145178 1.03212619442095 4.28495610164981 0.997993035221445 5.24761938233576 0.468126643482294 1.96290571363285 0.868708029503959 1.00200696477856 24.1788363323359 4.38527976087568 1.25872004228385 1.09102622638977 0.877899079902644 0.451008892797524 10.9639443328243 1.36602372827048 1.65437926693017 0.518374924673948 3.10935311583475 1.10344394587996 0.19449914724156 3.29538416696305 1.082506299901 0.321617893454971 1.78188094258457 0.854105117039192 0.410708730346656 0.212365175728555 1.0938292590787 5.07143123394786 pregnenediol disulfate (C21H34O8S2)* 1.09112151851462 0.54489696337706 2.14612852324934 1.39777343904772 0.358029763831401 1.63819151810787 2.4945886811071 2.84521699587923 0.155878964581434 1.48943672571862 0.956322734069181 2.95234354296616 0.627979515907902 0.165198370801126 4.56311841479677 0.354737530232659 0.964812899934269 2.19743164094399 2.19201374854726 0.407244118683113 1.03518710006573 1.64100136344861 0.448819625359075 1.35650391278591 0.543231133595991 0.712345806721247 0.388041837242063 0.0871778228263166 0.456476153474101 3.09950843594387 2.51390884888942 0.386926314395433 1.65839661654755 0.104268270157845 3.67238693019977 0.466462909633388 2.02520252671538 0.0689096552511871 1.00406120332571 0.441965868891692 1.37227426656485 0.796390357391089 1.88248594718098 0.484647341372645 0.290952763163299 0.55727664542019 0.0974508694636736 0.94983486082244 2.82324642136176 2.4117363518958 0.967609970356476 0.0997676080613174 0.315041041567049 0.502706471551976 1.98295435356215 4.19122514567588 0.271243540172268 0.228095637486674 0.0661475033928499 1.25355454172802 3.18364652325891 6.10076211817285 0.0248638620158233 0.183495551544887 2.48407711081706 0.353704191125987 3.57833255828488 0.590092706031656 0.64816085831798 0.769200707815644 5.86184870935385 4.40745032565025 0.977318660042554 0.676532331517888 0.134477674795077 0.988055545330877 0.883968575815692 1.09713751266745 1.08129680849241 0.0247722923586508 0.580575328915903 0.341389809053183 2.19215780175377 1.06849308190802 0.0467849432161581 1.277872225913 0.458702245161308 0.301052484767605 1.01829621298314 0.179434289838778 3.44720218209588 0.714868959500437 0.614060925143104 2.39375434222468 1.11600909368136 1.69061779978109 0.068976092146222 1.05298572981615 1.01409431289378 2.83538951534139 1.53700192068597 1.06362555768972 0.640951024886893 2.22465061009123 4.40527349568086 2.2201964482941 0.769198576931049 0.335830301955396 2.82008561894302 0.785368313039674 2.49165774735783 3.34129689664681 0.0606506092739075 2.48936911892271 2.28054064803937 0.4919502915415 0.236947040191081 0.225238909380571 0.370010157897673 0.374588494805297 0.543840600724974 0.842815589773541 1.17104423824422 0.342343890737812 2.63919412513366 0.733085308096576 0.902605613573186 0.471612924638231 0.0761544877319866 2.66506288897219 2.51780767120206 1.41576705146259 2.249537824267 0.18442426694578 0.35105433396677 1.26874620180767 8.42522782878068 0.37530403417612 4.237381390366 2.33564716264105 0.709066969411852 3.80089101917671 2.81178623210944 0.537745599409517 0.328289072184533 2.3134501464808 3.45065009932112 1.4914266193548 0.387930284344948 3.87384004348406 0.701742184973451 1.42728375294197 3.10087625185456 0.48728555164209 0.746815444056062 0.514925547622016 0.96342254860628 0.187296028004844 1.15082272724447 1.57267123576974 3.71018028363709 4.75595308586096 0.387366796725549 1.97952771599267 1.00778517227166 1.30479072772132 1.05730958656081 1.52739227334824 0.134080571315263 0.669202847457299 0.974756869716519 2.71036073745304 0.679029348790284 0.155757067830406 0.871148473529144 0.980595347555013 3.61881530814649 0.43111963711444 0.614444221658352 1.81241855022027 4.23198260450902 2.20952786807361 2.56119633465665 0.449665484687361 1.00454208267932 1.16600349937955 1.63695768877602 2.43787492075226 1.26148627799351 0.112042408223019 5.43526908241453 1.06879750650307 0.99593879667429 0.910853304562694 1.65517138106396 0.606175864007295 0.595381328074116 0.262999206055752 2.56195881186896 1.79248511730359 1.57113189057657 3.10823381688748 1.16740287756407 3.23828398053796 4.53217526274756 0.643737112709171 7.6375256716862 2.05213842588286 0.351865646383555 4.56010897051915 2.2071176624558 12.6057584149581 0.410101846650861 0.462469211271749 0.642209793878366 0.8683893282614 5.64470564354276 2.18305177293539 0.862005577488261 0.241728219798002 0.330421737381434 0.94024404116367 0.110839742795808 0.251905908426315 3.500041318728 2.57761859518485 0.793591571831842 1.17327302676949 3.98814994643744 0.102232486923593 3.85593728520574 0.963939302715596 0.676089808086987 2.48528651918046 0.269746345627788 0.478478488851372 1.44196709488009 0.44419238058136 4.01932829088198 3.50042362277645 0.320496368841295 8.76382034097481 4.19160350904734 0.636954302712823 3.09972245082203 0.280580083999471 0.376055535873252 9.97745527017821 6.95790405373939 0.661566866297471 0.277951885968601 5.59100659281099 2.79553274931722 2.22593378208984 0.325779911788967 3.46338843985767 0.0348976137682934 0.470567944671027 0.485936059509243 6.39740554000221 0.455411166880285 0.474487663097688 0.237648247173739 0.988246741140402 0.432306160361092 1.11997350230411 10.2238096404313 10.9634567303304 0.192298673658615 1.68117301869256 0.171076405844544 0.781805561567926 5.32146548347889 3.70580210393036 3.84149508350922 0.208387173440841 1.13963041645687 2.36172017030847 0.295695003043516 2.34649926164849 2.05378110438377 1.96251931624993 5.95743318662436 0.145420730465488 0.543414248664833 0.529135249376111 0.545058445056148 1.58658124174118 androstenediol (3beta,17beta) disulfate (2) 0.953643273882783 1.00433140629218 0.94471570967378 1.20991191423505 0.205332550855761 0.966700868372654 1.17025636703099 2.02689581809678 0.0994911572006738 1.34422163339236 1.22203091589169 1.54468075802304 0.842581630958734 0.197014343168806 8.65810662820189 0.758710661172423 4.25497324281606 3.60010510845469 2.42157283695863 0.327551945821456 0.808426928551601 0.995668593707816 0.431824634607901 0.846415855564442 1.05566216742063 1.16791653938731 0.174945528660354 0.0560999344696158 0.431434082390832 7.48039586309347 1.67344558633216 0.502951085434129 1.61133098928065 0.220541113661628 8.65650877055113 1.06215515744404 1.03297443968467 0.0797088681457526 0.384316481561721 1.67890194061984 4.31849350366595 0.849476764394997 1.21866058368982 0.468214179417707 0.312731153699229 0.459214622968102 0.0474239913281844 3.27394754392034 2.1174521777067 6.97789113873664 0.533145589585351 0.043618656513813 0.496145115262716 0.313165604776249 0.631273628240577 4.22577724306876 0.570740001214345 0.286370594709921 0.0785372068634005 0.670043009994856 3.13403891100023 4.39502654436521 0.0124917092804276 0.144544156426211 1.37232225681618 0.621103237719354 2.20731605025405 0.89221626134168 0.889838030484039 0.708736288361691 1.39852448767117 2.10380733666435 1.21257893038013 0.241433198845412 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2.38772640964567 2.3112894908336 0.229601272845699 0.236015133985804 1.71288987889469 4.64912020348061 0.409260359449534 2.10129278147789 2.42541231078175 0.661287149827221 1.64362950951863 2.05608554947225 1.11420653367434 0.432166817301741 3.23316671654747 1.31802976932898 4.36184017329072 1.26708368014143 2.01414960503169 0.390940454228031 1.24617890682116 2.73947179947618 0.33374693869988 1 1.23016294893347 0.6295699050147 0.251510776322383 1.27280814385658 1.24872506145762 7.53833220088184 2.04176272651305 0.392995080246886 0.960922068642278 1.42488223414398 1.18682934923828 1.51923372491835 4.50513044368771 0.387194844028589 0.712988316971932 4.24870587016861 4.12775144766014 1.50766253574171 0.155942624001784 1.5871593070555 0.675057561458862 5.72655126415171 0.40156415623099 0.949152679773986 0.722575193042033 2.7983104717103 0.459912457942538 4.35365790104541 0.544097859691493 0.356562568813593 0.707230764827463 2.66918370348532 2.05038027704611 1.15698474408333 0.17139392784307 4.1525318687071 0.604666395010662 0.301061030118908 2.78071636118602 1.08363166688422 0.288791675083536 0.530270370519268 0.594798432733457 5.25901605930373 1.15576163029338 2.65709352229474 4.11694311222156 0.264351899416469 2.39002059589283 3.5022515848944 2.14481481977808 1.77969723756285 0.973344788547565 0.391437442436473 2.02852487315137 3.2679686301837 11.5216400809409 0.573069922965173 0.481271535397423 0.589846914727312 0.952842205085725 11.815330663428 1.25628113517798 0.318162453930566 0.29066630004687 0.283731957913503 0.969948757603928 0.119841989514608 0.209052365582806 1.64814244039409 0.928898590416367 0.502836753766994 3.8774374798264 5.36041340021829 0.224064089640526 2.75766629955054 0.992520360551379 0.791127470030569 2.06344342350096 0.236631736866251 0.760212785071295 0.600721923350984 2.03050753183645 2.18281803895137 1.8925307668624 1.20615762434342 3.46164910415559 2.00864021610715 0.528222693070572 6.97558950759288 0.437965564540719 0.531769110925485 6.30431808965939 6.80009774322022 1.00582571430888 0.398684304784802 3.94863004803282 0.0500895951945013 1.51920741961704 1.63288420753791 0.722575027599886 2.187231869981 0.0402676258340559 0.195536734856956 0.177234366502995 4.13628892419424 0.950463147017351 1.23638423541491 0.371863154859309 0.852852280512454 0.903302870470876 0.489310369301614 7.11793957027064 9.641534515616 0.440228978548606 1.75258656388077 0.247567959084172 0.624585629463526 4.07777203693529 2.53775828207522 2.29834198843923 0.240084018139739 1.48154451493934 0.942167877785901 0.621811330106881 4.78518445723974 1.25572061718524 1.65417148310116 2.91293226517266 0.192128792078762 0.260214356771688 0.453859757008502 0.544901081313326 3.5813491443084 21-hydroxypregnenolone disulfate 1.39830819469488 0.600323240628712 0.593975004380235 0.444417235637314 0.146673022030856 2.36204398997306 1.59797239969263 3.33476306034239 0.275963755109699 0.96644947140569 1.93753923241732 3.13220307182067 1.03355052859431 0.0941088257246012 2.36748651784446 0.906043620239858 12.9149282538246 3.76756543104959 3.09987762934799 0.123413630738625 1.13426212704198 1.14168645245135 0.684458237393547 0.659063222997405 2.2111500771887 0.189704172052861 0.154413965981787 0.0365077043845115 0.173127570370023 5.3299392837385 1.83550735534534 0.313235758718737 1.11717024420326 0.0637893238159225 6.0854028505326 0.239609876291135 1.74404605229673 0.0358909217294188 0.77402047253484 0.542003743166975 3.09046350412199 0.740090568935204 0.695318714526076 0.450631350404928 0.165761655951476 0.318715253187291 0.036682745512635 6.71638093631526 2.92001852678604 2.09587102797487 0.583157493677771 0.178397389380981 0.400005526042932 0.258760595823766 1.54014452056488 5.05756028113016 0.262676088085124 0.147926352389941 0.0296384949967498 1.23688909958947 2.03152607492442 6.44086843218891 0.0453193689258972 1.07563334995994 0.770823365854581 4.98588968564087 0.306453981877488 0.945396878949121 0.313955585157049 5.87818710890522 3.29760649629973 0.267944006642885 0.236273963757884 0.0960382634846354 0.745120722224727 1.42455206332264 0.649409658650511 0.214670044339223 0.2309020683397 0.208456154484893 2.43996027065977 0.61521435956798 1.24678726043513 0.526425391876426 0.216428925635459 1.11646789878034 0.168595207175712 2.62706335899065 2.09243106624998 0.64347643360823 1.51563797438534 0.0776292694134978 1.92547767551367 0.0491497892105466 1.38238253886771 0.561926582156989 1.1894400228022 1.22099445505219 3.24577294071283 0.792772662956462 0.904705570978386 2.61265929182306 4.77008898383342 0.491047810450911 0.875731655355245 2.28068444404373 0.485668643923607 0.656200147458093 1.60733247728142 0.0246606936928945 1.06497172265663 2.35212963515029 0.934929390259331 0.130772351752992 0.0576518971050806 0.436289814775766 0.733012871317365 1.29188340631103 1.14683641313279 0.501649814659429 1.08964041456956 0.880466601614477 1.18027769819953 0.676932260893212 0.122898467686464 4.26729833215299 1.12225133897475 0.866119249098019 3.2258915470448 0.130133948372217 0.147434098302487 1.40118271860953 7.934221184231 0.0969762365611726 3.97588536660205 4.85001592372897 0.739846986779669 10.4019498206217 3.52699544683147 2.61208705553528 0.243178608978656 5.70429853428982 2.21359101174575 4.34137930031571 0.662133372500375 1.81686548302705 0.689284421067021 1.35541544936182 1.74566169274329 0.269286980497431 1.02480102609892 1.07167786659842 0.888304130135403 0.118277677840422 0.873039890758857 1.34478217938408 7.87279194593785 2.19224812514451 0.355339829826962 2.40453179147041 0.913679573854837 0.596625041990655 1.16951136692489 1.16341526903831 0.0573101549764198 0.507207850471095 17.4504873824443 1.3514483322257 1.05741267761502 0.0653927198747042 1.31304815073882 0.997161358999379 7.2337756106641 0.502324573585806 0.603571859644327 1.0769050669451 4.52367763973981 0.282099401878564 4.72442569144612 0.34519881393668 0.371813254650238 0.849549845634353 0.661227392303967 1.73420169765856 1.24086857761109 0.028181364729013 4.15068937385571 0.546624533013017 0.379188340631103 4.71075455207787 1.07289868581974 0.231116566058754 0.28000314111914 0.589284857333568 6.62378336166642 1.47298782961755 1.90491279758832 3.78053538630676 0.293609567616225 5.18492975381479 7.70794063284825 1.23938454423961 8.23476738994813 2.41003238552002 0.18986756401848 3.5638468820757 4.3238472020045 9.05426283314404 0.72128457230609 0.306512877861363 0.47806524511636 0.639066505926681 3.30302638103811 1.63545058336109 0.33026395580329 0.149707774124449 0.21562910363221 1.32670838344339 0.0559540931254572 0.0716625972692623 4.84735833334545 3.44929710188133 0.405631183169418 6.20868446731128 3.23320773704179 0.0499096201136329 5.47565487244293 1.84187446284681 1.17767609535623 1.00239364912245 0.168681006263333 0.783448192620406 1.46419269602547 0.671862843614439 3.87955407741986 3.27251898850147 0.596275301641962 8.42255250831451 3.07102637522122 0.525333998397448 6.75450263432284 0.195449594490244 0.197777076519698 9.52362819619779 10.7223345204631 2.09533151167813 0.330474817967783 5.49513344666569 2.31004154711751 2.24673054578399 0.375429904326746 5.28969989224216 0.14502736118362 0.124372321505178 8.20521687537174 0.820109851916592 0.442073982081079 0.318553107453905 0.612132136411824 0.491524795209212 0.430175539116386 9.68944583968949 8.20914545562951 0.180236252877541 1.76832428564988 0.096950787679251 0.99760635087755 3.71243563250651 2.08149604524375 3.64759042714858 0.0650778808497891 1.45461010131564 1.00647201422811 0.928167258777319 5.63114390542905 2.10010426770479 4.65357673128744 6.20714953617595 0.207330586793048 0.633742599828693 0.41258163637765 2.171932646262 21-hydroxypregnenolone monosulfate (1) 0.654411017895956 0.89493997440533 0.925044181275265 1 7.45920087753154 1.15836194113226 2.88795222328302 2.12262645925602 0.348770107064901 0.451112403748135 0.591339203953166 0.83759423611871 0.973743470423249 1.02625652957675 0.695340171511176 0.805538117754114 0.732268635570427 0.701767521150933 0.384673420375159 0.434836695789395 0.331999101553276 0.567403661746327 0.568486405234028 0.931942660669343 2.95436927312205 0.499697638121786 0.541037705966032 2.09355364475647 1.79105354396918 0.316207172599679 6.50485794750998 0.702769634804444 2.2011138435666 1.30715935334873 0.578496023221392 0.700915148618062 0.485967529213917 1.28496311185086 0.404151284606037 0.458092643679485 8.96424066853651 0.54547234684651 0.873935254243145 1.55738828448509 1.04573439380763 0.556622301060282 1.76240691573606 1.57813318896754 7.52323579043154 0.564961729625129 0.26310666751136 0.835659120098138 13.2279693376259 1.32633773533833 1.16091987122264 2.63918725127136 0.580649991649053 1.23234638576768 1.53146003351897 1.11326763921605 0.30999867536701 2.23497837392662 1.53482344945949 1.91593763858253 1.80989788807427 1.442652030432 0.29771990347457 1.19343673149689 1.74070597179108 2.62610218103702 1.75624449269436 3.36712491289098 0.65845778164289 1.7191202133235 1.1954639958994 0.322058594852361 1.28136932495551 5alpha-androstan-3alpha,17alpha-diol disulfate 0.688898669675292 0.980280694794004 0.939806836356423 0.79978179203293 2.49649131507495 4.02779671944159 0.81162205388249 4.64706721053349 1.019719305206 0.526594095986709 2.67475854544553 4.80906802881337 1.86886445069864 0.643285765649603 2.79252677257358 4.57324845155086 2.52897504213643 0.387803356437998 4.15770915696121 7.47695680197429 0.184610983390147 0.454035963312871 0.926067370031951 1.39981180785099 0.180188812562688 0.233685705324183 1 0.681445150260746 0.303189270979461 2.34419516835615 2.01913286848264 1.5563973267064 0.14227809009096 0.475447128691031 0.113446087774749 0.192635000292973 0.112336236639564 3.05127374374847 1.10824495310707 1.61532283915086 0.408201179475337 0.629385549186741 3.44882448841722 1.45127512244553 1.05871526114246 3.17926853227358 2.2747122831568 3.00927863122956 2.18118836793289 0.743707109596076 0.127098635434583 0.730578466819932 0.70065040033916 0.739912245931982 0.158129659565228 1.60405888415153 0.933402038403607 1.74306256871943 0.287582420233758 0.249285662584574 0.582520189295107 0.348476022734715 1.93356403530843 0.152525256006811 2.01816088705369 1.04998121525253 0.644209989349565 0.565906889693895 0.763412137359588 1.06727352315694 1.73231217837583 0.629440697069235 2.12735369439112 0.68891424159598 0.557986275070744 2.22825708564122 10.9459343947003 0.630588462373634 0.588093572169621 5.93573892992428 4.47166949874022 1.19279010371249 0.452026512344509 2.51451250995247 2.58147237952773 0.102120091407615 0.176748963392146 1.46148782093483 5.65380916764612 1.3536771574024 2.61404065088288 0.279865163427303 0.895987646874321 6.2442086106525 3.83673814062021 7.48671453043301 0.227767648184084 0.139186361928659 1.29032947413047 5alpha-androstan-3alpha,17alpha-diol monosulfate 0.427920956418366 1.86214476369917 1.70973240921427 0.426036830181908 3.90589836185691 1.58656887154297 0.937577103380212 0.898690831333319 0.873748588774495 5.15019177713478 0.528684326611788 0.792035828305258 1.23171762031866 0.7552280764716 0.717642748730832 2.38184210723071 3.59957083791281 0.775415143290791 0.322604281153504 1.06242289661979 3.86091110961577 1.44216405356302 0.474032162001191 0.988438058368076 3.49910661107802 1.80634306134604 0.76631179273377 0.958464860035736 0.945637284097677 0.771679571173317 10.095466051221 1.20607504466945 0.982109886837403 1.96157683144729 0.449560750446695 1.06302114353782 0.446404109589041 0.815589636688505 1.39895026801668 0.927732281119714 0.954727516378797 0.686189696247767 0.844967242406194 0.99566706372841 1.05108695652174 1.53819982132222 0.846560452650387 0.590165276950566 3.16137581893985 1.97505955926147 1.65810750446695 1.86732430017868 0.629131923764145 0.450952948183443 0.252590827873734 1.49221262656343 3.91366885050625 1.11541840381179 1.29785586658725 0.825707266229899 0.482601250744491 0.440589636688505 2.04525014889815 0.357065217391304 1.91669892793329 0.815678975580703 0.893254913639071 0.910400536033353 1.41586509827278 1.67656343061346 1.0396217986897 0.73106015485408 0.481789755807028 0.912425550923169 1.82179868969625 0.590306730196546 2.2241587254318 2.1041095890411 1.794877903514 0.262946694460989 0.499114055985706 0.720235259082787 2.05673764145325 10.5442823108993 0.519654556283502 0.82275163787969 0.431856759976176 3.75489130434783 2.75754169148303 1.09711137581894 0.666542584871948 1.66605122096486 1.58079958308517 2.42607206670637 0.985400536033353 1.00297796307326 0.518575044669446 1.32269207861823 0.648726920786182 0.572937760571769 2.02663787969029 0.687872245384157 0.710623883263848 1.94487045860631 0.578260869565217 1.47552114353782 0.591423466349017 6.30093061346039 0.846002084574151 1.31156194163192 0.648362120309708 7.87094252531269 0.474918106015485 1.29997022036927 1.86432400238237 1.61085467540203 4.36222453841572 0.723712030970816 0.758792435973794 0.45485407980941 2.44813877307921 1.026809112567 1.34729005360334 0.405189100655152 1.23152173913044 1.1236748064324 0.495190589636689 0.470324597974985 1.10929124478857 0.531633412745682 0.491743597379393 4.24193716497915 1.31357951161406 5.91081000595593 1.20149642644431 0.823853484216796 0.571158427635497 3.85539755807028 2.60752680166766 0.733650982727814 0.696203097081596 5.27692078618225 3.75311197141155 0.398630136986301 2.22660065515188 24.3214562239428 0.983717986896962 1.65445205479452 2.1985407980941 1.24557772483621 2.37556581298392 0.904906194163192 0.679318046456224 0.921508338296605 0.997022036926742 0.306238832638475 1.77640708755211 1.06535139964264 7.35893388921977 1.23459648600357 0.485504764740917 0.448086658725432 5alpha-pregnan-3beta,20beta-diol monosulfate (1) 0.584906371274632 0.705025432349949 3.20913756075506 0.296525375833616 0.0469160920839456 6.14277231453223 2.96200746015599 9.95105685543122 0.357044572548133 5.94736294789194 1.81221355638446 0.895016766512189 0.437118420556874 3.38015146377303 0.705397686598094 16.2732105045025 2.49193624957613 1.21027693003278 0.704817452243698 1.08491767454128 0.50264571794582 1.47214950454015 0.435233035680645 4.69757733318262 0.317838815417656 0.122751968652274 3.24413247428507 7.06140386571719 0.169036584906371 1 0.0704057872725218 6.49480727930372 0.898917147055499 0.793741068043282 0.066964155510835 2.06556574303902 0.450397803064841 1.35486827138719 0.752889310510505 0.724512743052837 0.215366265870293 0.0771275901715089 0.113174703317047 0.13061571594574 12.3741083393583 3.30741281412473 0.678798009986906 3.97158505678844 0.125310651727753 0.251525436217194 2.31584319973966 6.74018693597236 0.340627796633065 0.10009624639076 0.087558120079269 3.42935867975126 2.37800578092357 3.61497759623488 0.176800168239305 0.568392501070684 1.07270363326288 9.91552422047331 0.151825227606596 0.453351201084345 0.201035224336982 2.01336090247493 1.39324709533919 0.599816103387351 0.105227852201157 0.161775293075632 3.51118653225943 0.501018492508285 0.545245781353375 0.0871098912738141 0.141192073718288 0.245376105413591 1.35459964110995 1.11545882818868 0.748571270682613 1.07904484283594 0.390018926921819 0.757411509349101 0.811628774447274 2.5443723491948 39.3665345005703 0.306827967635424 2.02258796874065 0.103282968993926 13.1569092474822 0.215317144905312 1.99335638948627 0.408018690527175 0.815909973551431 1.04452201463498 3.20078347939145 1.69107825123225 0.218711096579492 1.05477294601453 5.9538201527969 1 1.65864766913346 7.50763447247921 0.586005437076811 3.53286883320823 2.13502125249251 0.140076106795118 2.55274593869397 0.483350295416553 1.07811000947114 0.159405206515282 0.305994446260897 0.572451120802268 0.589571312128427 0.43402977651496 0.919309604837187 1.25759801551302 0.233266252515531 1.97283150127484 1.71931513094575 1.27699772662034 0.674549046516019 7.12327059665087 1.41122997361283 1.52346677350477 3.50412232348305 0.235287887230545 1.22092768012428 0.66060329755178 2.01086494344181 10.9053024546667 4.17215209692794 1.33011284006674 8.66343542818899 5.4439276509587 5.73356942097128 4.36549682018503 0.590768635649847 2.11122214495904 1.90572765801984 0.395403812707901 4.7187594500294 0.33503875183628 0.373795193206571 1.13699990636316 0.423746609502144 2.56235062237798 0.799411469438317 5.9758524406212 0.248645719645162 0.273017393426694 1.33801978039859 6.19452362641664 2.73633554531179 0.344669531032937 1.40461092358159 4.65465966078904 1.37826213095956 0.628301657986071 0.131549014280386 2.09168581616786 2.54488197920648 1.12019900130938 1.22964511637831 1.80171401467182 0.244444342109101 0.414590154623588 1.65370947712268 0.533840507296766 1.40429931245999 9.96636288419886 0.60387318808878 4.5492614202406 0.461915134322814 0.256004654211432 1.92145711202497 0.200746638667717 0.517021181881118 0.979263277627089 1.4647411248394 2.84911267581852 0.309109022446746 10.1981094568603 2.04499940901339 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2.29681036083954 0.12327827180165 5.61109396994104 0.358937636329866 0.140439908942011 2.5613006617515 0.92622798574878 0.323822286488818 0.165333492976469 0.330289368534645 0.368301320279437 0.432540797263962 1.64094416634815 2.51794066494436 0.682076834399412 1.10670301618075 0.152715545096883 0.126197899157729 2.91435299246454 0.111225215019349 3.59737540543984 0.407088462252841 1.16367259034804 0.118900365797686 1.75133585999297 0.376765476557787 2.98238399393356 7.61407192844303 0.238235145129426 0.388021852689296 0.44864786868738 0.202057554420657 5alpha-pregnan-3beta,20alpha-diol monosulfate (2) 0.708147198018488 1.00462607408956 1.05302795749078 0.244341553444123 2.70358344826477 4.55952376165566 6.10901531570292 0.0787357407950977 0.272363379024443 2.85125392542793 1.5078910651028 0.892178898990346 0.511839613347862 1 0.453662861531409 29.1708129103857 1.34393584212241 0.736301714120282 1.03661253161452 0.304818274299454 0.102611992810586 1.80639045593267 0.139011415405772 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0.696633742519848 7.54730277842626 1.01394839513679 0.652032468437662 28.3837261445494 9.02649775196546 1.57141057659525 0.780811173495866 0.616584566239341 1.29378292904541 0.774738037214755 7.76336938138322 17.9207234018969 0.33147634651139 4.18216049807779 10.6875609874893 0.201847805458097 3.54855569868779 0.119447304289992 0.466324828815151 2.24029196737033 24.477352542538 1.80549840529787 0.387283363200758 0.40676912844784 1.28976216348762 0.106840843856912 4.59634973606378 0.676761688184089 1.71303423361085 0.628710684588241 0.263563365686444 0.232324335036924 0.290942864484749 1.46774402133659 0.381818212354869 0.866708430675385 0.37283279224869 1.59955929453535 0.323226555191473 1.19403636827794 7.02093518908851 0.34384767445571 0.722683063238883 0.961631416387727 1.65051922292072 0.468370481467361 6.23362764083177 5.64802345950431 0.119359969365596 0.8976720204095 0.620880772712539 0.226059733729252 5alpha-pregnan-diol disulfate 0.186084501936516 0.0876113111495394 0.940669782941821 0.0405566604055942 1.1550128372687 1.8496652557402 2.13092357949331 0.0208317519640032 1.51207292102262 0.174072995548244 1.48165036533657 0.0860251114549104 2.77793940330737 1 1.23637135658257 0.0356421095535869 0.286788401052743 2.87272081551274 4.0998100516665 0.12368447323035 2.49591972210223 1.20348432193272 1.20703258361998 0.600488033990689 0.264480676972018 0.170222822150783 0.0951764954304783 0.205565324129166 6.19561223301699 4.52245982550762 1.39301241102211 3.07838046916782 0.0568432311678675 2.11595888910597 14.211789582951 0.379420279558816 2.64900922982198 7.9765199012486 0.0970453518363932 12.7876894264565 0.116206556982359 2.36168390474555 3.51709796399245 0.795050392025686 3.61453504549787 0.253938511269382 0.282546617804064 1.97532497774936 0.95828720395795 0.0656211332729458 3.10030055631533 69.371538323397 0.0447400671367423 2.17399507032386 0.219908353018489 7.29740669038753 0.288127532182023 0.262859488442495 1.64299218316766 0.787912426217668 4.63734515824103 1.04189336664516 2.97828416484616 5.95898679170441 0.864197092319928 7.81959516662819 0.247669849840249 1.66308584306737 0.707319720480653 0.752488026096892 1.53520534725799 1.04376123632646 0.200838913260987 0.144891628036398 0.0757922905232995 0.207121388834619 0.533508180933718 1.42500498295927 0.271268355544504 0.604447759839125 0.176151063590454 4.62125858697089 1.11112591198022 0.859298991370107 1.62158913971428 0.574032960548777 5.5665970039094 7.80886947014862 3.58777606087696 0.777731401721242 5.84055319728375 4.60571274078547 1.68192833616523 1.1254630205219 0.632524021810561 1.08890586055213 0.504179765435826 0.259976279140445 3.83081817230975 0.151636877450777 0.411411864771366 0.849661652132213 0.129797701721045 0.719478141089778 0.568666165410566 3.52084850422417 7.57277883357311 1.23351824552471 0.468884626238586 1.45202150270264 3.44664484031836 1.04171279604205 0.413850061275598 0.305715898304215 2.7755546872379 0.545632066181593 0.169599212199074 0.439155600550198 0.335813958995672 0.404518606665917 0.919532608288092 0.194275221174321 0.763661695548096 13.7740065163293 0.794301468048871 4.08815989674914 0.159495152222005 0.122990288656417 0.228907281435566 1.92103835003858 0.336611232478238 3.84542366994457 3.14960323803547 0.0581170926356796 0.152687739157377 0.825934872229031 1.45655550227243 1.88221271019701 0.655187112587251 3.19492645941503 0.409915990266949 6.92867263832399 36.8373601564551 0.680170979639924 7.10784307921228 4.08213002267493 0.046564520935336 3.93660491744075 3.39363207407539 9.25392272367567 0.612640534252171 0.248094141421318 0.154496405362256 3.45873123003116 6.60513057326726 0.433945694624522 5.59881948268002 1.53508792702974 0.835513007990496 6.14112234003714 2.56374142289635 8.62872809224691 0.418852755033776 0.164120917180257 1.82591119083846 0.140520438026788 0.166847237269772 0.457296532452386 0.605551904674509 8.82163966001417 22.0194809039187 0.102532527376674 3.36109976377813 20.2619072991966 0.197500823915047 4.58241321263718 0.21535757913038 2.083079251747 10.2654506272608 56.7178875410231 8.74682324012733 0.683785351875862 10.7929999782921 24.1051927369175 0.0898550896241961 0.271657125039716 6.8139826770628 11.4717875700328 0.178421516911473 0.641866330390921 0.347572756138907 5.77124960777697 14.0681658960348 0.758581050545955 1.17946152464739 0.353349041989079 1.26877292901306 3.50490599474668 4.20775289258319 0.099088858497771 0.111477185940358 5alpha-androstan-3alpha,17beta-diol disulfate 1.0619755094136 0.936074984086388 0.892161958563375 0.551096579605798 3.48073776503107 0.3204809257379 0.150634622039249 0.978591029422026 3.42077299570368 0.483199924810852 1.50482534899584 0.242607468503864 40.0323925670971 0.773774651858582 2.33964703821688 2.18982126913016 0.507461241275994 3.2601060337867 2.42058644687132 6.9646796130607 0.243894797850844 0.113384665116365 1.88284306116666 1.62885753792566 5.40766473614733 1 0.228868360606013 0.945184548060533 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50.3319403868753 2.97981897178125 0.289546472581132 0.273642961159968 0.959627477775153 0.148231431450588 0.123328838028485 0.139810957978369 0.5839341193638 0.450148464668997 0.155783244573489 3.9579439811257 10.5793351533836 0.144668578417154 2.36557294205243 0.263005235883896 0.545632327920029 1.01124175071691 0.431686815799153 0.712467443925807 13.083430266459 0.339460802636182 5.75946181931267 0.261492182056856 0.839889899917171 1.06627086055684 1.50820218705053 2.35699847199505 2.14929296130948 0.333448955364912 3.71958268420533 23.9598906175712 1.56487741572799 2.2392359377196 5.822702086878 1.079374026308 0.374346262069296 4.57837379606068 0.720901373410322 24.3319179601882 0.0851735676074911 0.352744876997097 2.03602174491587 3.3667017519728 0.719993840136594 12.9756446177446 7.3439999641173 0.568646594283288 0.162306420312 0.342367301292076 7.91129198649614 0.185071002891547 10.512391492212 0.324618821073909 5.58411652308603 0.55201645819815 0.952621380706471 2.84764205811203 5.50431788483448 0.583401859321877 1.0045406565936 0.091481447149269 0.108105602784498 1.63276598798528 0.0973871414346501 0.333981215406835 5alpha-androstan-3alpha,17beta-diol monosulfate (1) 0.952012412956023 2.41736812798358 1 1.91292286323851 5.98526712255917 0.300133264094399 0.422350828677432 1.87344665995132 1.02346949628675 7.9290471930077 0.216318282207054 0.999443168807443 0.536784018319121 1.66357010129323 0.897964750708552 3.52902091558064 1.08741498939518 0.134804452146928 0.476997866523184 12.1021566259784 1.42126344371938 0.0270507342038252 0.543935232398816 1.59828946462871 5.12329869301083 0.462527763353 0.414214836735843 1.54986892569119 0.128272634562324 19.4042269118392 0.852581131556062 0.586397085021782 0.0972245315496352 0.331942986269135 0.916297306242152 1.04715620185052 0.636023607396393 1.20764310835998 0.280349708708038 11.8735290903995 0.680620810550169 1.0052415134197 0.518336587505562 0.125221497489299 0.498146467837535 2.43238368511648 0.542398459533458 0.0699401580688428 1.27813908854674 0.365745205440406 0.54304137628524 4.43228708924983 10.8763097845279 0.282376638368828 0.864987482125806 0.365241640102803 3.65360088804856 0.981718044582951 0.24501779105839 1.52653140078259 1.976384685913 1.25248892710496 0.113872274927672 0.203020758610096 0.0724991567655903 0.652091775574547 0.216902059708914 1.84323124258706 0.123854903507063 1.39931464440845 0.171747450898421 0.378730223579843 0.423653635725902 0.395835609670355 1.84671344440275 0.654018942291096 0.227274238832489 0.170651642050556 0.823954824805185 1.54618153372067 0.227293241298058 0.614151769525429 2.47248838870177 2.42588800896916 1.95753107299005 1.08592914930712 1.56600110531008 6.5975024426086 1.31258264093099 1.5245044711218 5.09167739514202 0.391225928230855 4.40133048929765 2.66276324353085 4.11386119015609 9.65072518159231 0.440234870474444 3.25075178504411 4.22437794637187 0.319228753264069 1.06338430744722 0.34641336380062 0.250553842694423 1.72730670137784 0.430606954585691 0.350432385268655 1.0137688698442 2.00056057273431 0.331830555014513 0.710003372937639 2.4823839226473 2.20732006644529 0.361407892674075 0.199055577461176 0.383400079493648 4.16199601898346 0.422125520786322 5.89228294037818 0.230186366681077 0.225187134697394 0.563828490079921 0.826726017700797 1.13071954419419 5.73437245149225 2.86287662490875 1.34215997859056 0.289900031195714 7.73649122640329 0.106993382391365 1.12465775767739 0.126317306337164 0.604219814187558 0.300541411914863 6.74285546883041 1.09901868100719 5.26762439093139 1.24271849272443 11.4975922292584 15.8058328068067 2.68567863346936 1.38195114149394 1.59942644224755 1.8430808064013 0.555011346055484 0.315094133463817 0.856067408079532 0.402828517000081 0.502257334555825 0.888105565030396 1.17817978549384 1.31900705783242 0.199408706613016 1.17878628085327 1.81289855692109 4.54554970174047 0.928520642219995 14.8185897953593 3.81967451943556 5.5108622843814 0.682337366606651 0.334166274740814 2.3396706556009 0.924059813427459 0.176727680416534 0.669859080882411 1.69840395124601 2.2893394584614 12.8769368658917 0.470694239244209 13.8580864200463 1.84406735107214 5.4854781574576 3.01171185294625 3.40329566094534 4.15626677561414 0.221434147747337 5.06841521020686 34.6681171882052 0.47152718065169 0.978117077357454 0.666888362098316 1.54981258818332 6.28664427542807 1.84479736245778 4.09816198651775 5.1189095118425 0.0826132190651737 2.00116231747736 0.582759696403942 0.0911152388689099 0.844023011985805 1.99243385162558 0.0886306664956445 0.40706606682217 1.3850105384507 3.58812472584985 0.654223218795972 1.03922583955268 3.2746933081234 0.797794763870612 0.732999523354822 4.61241937808097 0.654273892037492 1.0452765412979 0.294308603207933 0.359043669249418 3.77977725943275 2.41804949192158 0.833598576081913 15.0761112087627 0.692017539275721 0.069889484827323 2.85039200502932 1.3200284403568 3.92086264859532 1.12754771598282 0.715191046038224 12.8059879936088 20.8692107800987 3.71819660267586 2.0707224262348 0.827558959108278 0.128290395678839 2.88059642405269 0.133178779946698 3.64106084431122 0.137649109972019 0.32174182933569 7.33940462108292 0.933504038815703 0.680384863269343 1.09310891421495 0.89914124691012 1.49154627812959 4.99088831775923 1.14258183332621 0.78181369032632 0.113020331054621 0.0632845445029826 4.52724874385785 4.67381951141494 0.71326071224408 0.780440762188894 1 0.244536395263952 4.11916921220528 0.102692491017376 1.98223111115334 0.232390652687186 0.261866643863708 0.621925361482319 0.568631363252715 5alpha-androstan-3beta,17alpha-diol disulfate 0.578891205298861 0.561893214469518 0.49694262960023 0.41667466264251 0.924183610866386 2.49356396635293 4.98709885643007 0.334528368268479 0.508421943283816 1.33152478897893 1.30932214478241 1.9794198119928 3.09219214766096 0.989570339872588 0.647528661938864 1.37497637552592 0.311017291661215 1.01042966012741 9.68612741805579 1.08175376465081 4.61855706073743 0.935947872052756 0.592691829021835 0.400035014671909 0.584280695878545 0.41787727357496 0.932410265388377 0.382421112324784 0.146209090874491 5.45486722969244 4.94639329849627 1.47618050824558 1.08667273080187 1.40551176607154 0.381096644300411 0.309849398851366 0.393899835202686 2.66524070683966 0.373020434105813 0.599679539633183 0.668315908459469 1.52985952265868 4.22549448709215 1.01681084845878 1.06148500268319 1.02020574925689 0.344810787563702 0.76716384963482 1.42870518026847 1.80470186148653 1.21471225170982 1.29283302949225 1.15899325206377 1.1052228950283 0.248406261536764 2.81214247926713 1.28453607462692 0.758471076739221 0.759666142715236 1.12059129124215 0.636551511530103 0.588482456507591 3.5260840276007 0.725747582274964 0.439966964418243 1.24436054455427 0.731799031007014 1.01034074604087 0.902860927051498 0.448735856165817 0.301171849726163 1.58063079692632 2.75141485916109 0.573319581194077 0.2306020620597 5.03472922621381 0.597129558092005 1.37869509452058 3.98313206240224 0.416529969894994 0.261041990964692 0.71511377865399 0.711703654085489 0.366938537832972 1.35604973605788 0.788941453185003 4.85168622286839 0.949438052575291 1.36267207617975 1.72971718040549 0.561117729222408 0.77880242210187 0.995604136298416 1.00439586370158 0.549258412084629 0.443194403742003 1.82227009252247 4.91493337697481 1.12424499613697 3.2278046942496 5.31972581989519 0.313411761123819 0.695771978367022 2.05141828450943 0.853185764252304 0.77920585201734 0.255736506982002 0.390413591782209 0.912748765923112 0.712548573342417 1.69408594579577 0.832085618484702 5.80006622340122 0.389690462688442 0.363680650968422 0.514266575831503 1.36616593148542 0.528881395410794 1.29562659135975 1.82848900272886 0.297434414094167 0.92113706341081 2.51746356761447 1.51323516538724 1.41203515168584 2.91001609913719 1.16789154585971 0.246891496382452 1.48068674428252 0.327090318823812 0.667006664205491 0.377724579157897 3.75536923352122 1.32212356373241 1.55083787826312 0.436785196405668 0.165725964521003 6.20530776754825 3.12326306294649 0.582811602035418 4.95708799719883 1.86490426151393 0.651074988487024 2.08407327200691 7.91023303786532 1.93627329712613 0.753333054230876 0.907176865958508 1.11068061671494 1.33408944726296 1.36969784621708 2.15710931047738 2.2107426535793 0.377678907846712 0.421584261666166 0.225228071110232 0.613076457580867 2.27010774623497 5.28297563816143 1.27612494148363 0.657438524512173 4.02145790437189 1.44051121420987 2.11649990294846 0.769386520112504 0.275489349069637 0.576790600844158 0.590278861414212 1.00677077188322 0.906438513094345 1.04256185608209 0.473093888797969 3.82880870190716 8.22541075635497 0.291055654298622 0.742120747334889 0.859168706017576 1.63162281586469 0.500344437805189 0.318694409450917 4.81922153250085 2.19873109873757 7.89108914659349 1.01182506365439 1.24119400031209 0.70862845246568 1.13084450060324 0.611850944064062 1.42701534175462 1.27553882632342 1.27757119967117 0.417808766608182 1.60097736605937 0.412845817459381 1.71307759936365 0.337693674903995 0.86669686047795 0.224649567835218 4.48005115186853 3.12216695147804 1.11521730029268 1.18752259778418 0.26986416590865 0.361960364913776 0.230449824355749 2.03665122722619 5alpha-androstan-3beta,17beta-diol monosulfate (2) 0.56996528440087 2.47289512837142 0.12089148786589 0.878846918922454 2.16053648407824 0.200410374350786 0.262320767776076 1.27462109858249 1.04307568218605 2.3676065856091 0.378222910115483 0.381394727806813 0.580088396706105 2.89023984827594 0.956924317813953 1.96203356022911 0.644756418570938 0.339087475680006 2.59938362099504 1.82091219732848 1.15236169621398 4.08282150078206 0.172032960744669 0.366824530903423 1.14503436135832 0.128537639448256 8.94928361609016 1.16634603332044 0.204798191476478 0.545112165977626 0.998910041627386 0.431974961827711 0.157067988231299 0.83398675427494 0.273254226260161 8.2111242243842 0.737747466856004 1.24427653122529 0.571959811643795 0.387189308434473 0.620321668324955 1.44462465300617 0.262107680288376 0.390100613368731 0.294184276578718 0.582987625766711 1.24220584778102 4.74279119579594 0.211152720027926 0.65994961020334 0.714798975106681 1.89556346573518 1.12979053327223 0.125423575870839 2.41187603445123 1.32679041691501 1.46011203537259 0.500635215391447 0.821904601334071 0.471864113773607 0.844463652619106 0.139163225421914 0.334372632783763 0.120455835314176 0.663535312039172 0.588857728374775 0.385679039316864 1.54780262967299 0.556538919112741 0.272081155593339 1.02281788671557 1.00108995837261 0.266951939722215 0.365770082898577 1.93161045505168 1.20978730376594 2.87340097882536 1.06120151881781 0.63517264798144 3.03069693220649 1.12316529610536 2.67571245045914 2.60251189099466 0.265503411166018 3.47394192112881 1.36438566954077 2.27854491744575 4.81759226058316 0.211993341517915 3.00225353049153 1.28309234725741 0.375126152589423 0.209789678402914 0.566982572539223 0.53130127731723 2.49379151162266 0.433884169957518 0.195788818784328 1.58783425983753 2.60772184452302 0.801482723328671 1.42690036260707 2.08006800960303 2.76555446586103 0.179109368655267 0.622406599591088 1.59390858122565 0.459041074095798 0.856085125986365 1.75737859074794 0.389863149670994 0.184751506113503 0.438980140910958 1.01477736591019 1.55733917177412 4.08966154299162 2.18206341705512 1.20289135798365 0.282662537964509 3.30641603164916 0.67916992189819 0.136921568115274 1.04630779569573 0.324593877710945 3.11827354393197 0.687120206498432 2.35629053208491 0.651248940318249 9.34172213422873 4.96264933498291 0.305753507932475 2.30991387191683 1.05459052947281 0.610652146553096 1.20210772778112 0.496992522268158 0.34379994158393 1.53666083297516 3.47575139450557 0.229926599971029 1.83590308631568 0.121728640734048 1.09898674240176 1.97964936110392 0.895109910072498 2.92950415205276 0.985170392076311 7.31581009553165 0.400681995739901 2.85958059161706 0.723043714692117 1.45827881562606 0.841048924645645 1.09112669400665 2.14693778688583 0.66358280477872 8.57927844280806 0.653604580199802 6.31294390869996 0.93220173965905 6.48238850485732 1.12199697471249 2.56095574389065 2.26002274902224 3.41523139650026 22.6727441542374 0.625037697362016 2.4016793432704 0.323235585359888 1.27284816333703 4.54435703141882 0.441046075081272 2.50431590270637 3.38015800834447 1.43654613800915 0.685890144544153 0.902409544140939 0.272228383085936 0.178159513864318 2.27525367059511 0.567642721618933 4.5374753334584 1.11563769688709 1.21234241315359 6.23969585649594 0.972380597316185 1.5089203238055 0.266201554437365 0.230914448953616 2.15868274137591 1.56632479809649 0.575170320837202 4.76787211155095 0.845009819123902 1.75956325676712 1.07977117998086 3.75293801960025 0.397960661763833 0.935944167535388 4.55709458416545 7.44564099763249 3.64353849405272 0.430744899873432 0.350415680202889 1.29230118945566 3.24394883132241 0.132542737529 5.87452893138961 1.27480486420639 0.884281565455681 0.520596413823237 0.872655342814467 0.457502309334461 1.02176354789762 2.53822571874325 1.23360491264898 3.1001788101644 3.07767200089286 0.832552473540608 0.528332981095515 0.314496921283159 0.182533595176637 6.10782751586851 1.51102900144141 0.228444826497149 0.166039366731811 0.896401712588188 0.930681971993532 androstenediol (3alpha, 17alpha) monosulfate (2) 2.19867239359625 1 1.88158922295978 0.274560718469348 0.346846934791097 0.887983209683717 1.80633541585318 0.87035337758688 22.1437817258883 1.53228231159703 0.790111284654432 0.959439672003124 0.496895743850059 1.11397891448653 5.09562670831706 1.10968644513753 6.79027890082528 0.639546673854171 1.51919448615764 0.202142132891815 0.263184577669965 0.835836124908552 0.727407492972931 0.417375790946312 0.312457484630293 0.818091974381682 0.495514227407493 2.28123034666872 0.480940279542567 0.276481460090101 1.55517051069783 0.297126281878505 1.03261971686368 1.08045512302183 0.611111111111111 1.74289271366781 0.670074313657541 1.49933258891328 0.949713141580994 0.636126192034705 1.21067729390474 2.30815781705235 0.529905150616714 2.56721599733036 0.81597422766419 1.29570803331922 1.25523981877222 1.19652689538331 0.227298396929909 0.552642049465429 1.7427643653819 1.89448487415451 1.83982133918602 0.994737720277746 1.22903109878968 1.12802741519387 5.90937327531991 0.924415694428401 1.43703233093322 0.611675843569109 0.604950393387496 2.06801817411729 0.253519951741045 2.81338800970313 2.45233786402783 2.48364842837524 0.979239664754277 4.96650751479214 0.961431340084453 1.34113690911658 0.189448487415451 0.969786813497106 0.353009125563128 2.8210183153004 1.90501585101331 1.29804397212275 1.09338621282713 0.418261394119082 0.943494667128721 6.56914763903328 1.00526227972225 0.624716029417427 3.79907717582432 0.950553822853696 1.02672853054048 2.99919782321307 1.43995225443764 9.33728646053932 0.932078087097147 1.03467328943822 0.419891417350121 1.25909026734948 0.498755021626686 3.0191110597718 0.959981004453686 3.83595163836587 0.526260059296908 0.648377035924685 1.3967373865722 8.71479085646811 4.00171344961688 0.625967425205036 0.379371863488763 0.928843710292249 5.32879622142646 0.195204908038453 1.40163387367962 3.10154916381092 8.89002477121918 0.914731816256594 2.31565335694942 1.24658272688768 0.31858611528243 0.180926161231117 0.836978424653139 2.59232092205409 1.77767509914905 0.669965217614519 3.99515485220695 2.2434638635401 0.55681336875746 3.69826601465737 0.581603840180715 0.979387265283072 0.201891853734293 2.74744907781757 0.659844955270622 1.94555465711755 0.619813124895717 0.748687638776584 0.231084671364214 0.815993479907076 0.69709162784131 1.78173732239806 0.257261304275281 androstenediol (3alpha, 17alpha) monosulfate (3) 0.626970910911665 1 1.60413807926527 0.0985112493404236 0.0443466833546252 0.537050136096476 1.37482908031126 1.85573116998047 0.376530588620282 1.84802738723447 1.57616513062117 0.823991681822093 1.02782332372578 0.894237298209373 0.553782901500154 1.55330292687765 1.34608416384378 2.50297297456065 0.421720423939572 0.994281771019969 1.22666274577966 0.276776381240145 2.28776016335033 1.63845263645672 0.369765676320181 0.228150701664845 0.134512801569368 0.781730417363678 2.65438717192663 2.13125871876148 0.885376600390545 2.26799446975244 0.155758157754424 4.59401403571578 1.49726683997356 0.312004917027315 0.10921927562481 0.99227229006847 0.121095350874947 1.02919689342662 0.746660149640614 0.152278115807869 0.0445247407836394 0.64773659913212 0.196538676089965 2.45008827888339 2.16395541028974 0.677491756729342 1.07103293070188 0.349406680281572 0.688831296009734 0.693010855280071 1.7595759515715 0.393607003967225 0.59697177721839 0.284562414472101 0.566506688305947 1.79114423072165 7.43476645518602 0.144215877635378 0.16956386767999 1.42508987622885 1.40451692723656 2.9347975415724 0.632994552675505 0.231787411282788 0.132627217002554 1.05015836846597 0.829373601784896 2.15030622779717 0.0822672710692017 0.468839070833289 0.769446793552189 0.0896445330878549 0.77323395442284 0.0840481230168983 0.681256113745626 0.699977647920106 1.81593159015794 0.788882131394518 0.6600807987889 1.19339195931792 0.98435289868183 0.755557955458049 0.104590093188166 0.579292766423777 0.984674734211396 0.917746712426401 0.618952541521839 0.857406422985253 1.87274846896858 1.66842378252696 0.326958652094287 0.725768376948573 0.1835030463583 2.92969507159227 0.467201495932847 1.72063944589216 2.14513749756096 1.87561573095927 1.17583040988637 1.79131633528292 2.36725564433044 0.462447967950689 1.93432317837541 1.1658668465733 2.09966187907632 3.407622984306 0.115861651166858 3.10541339838312 0.597324161307582 0.827256285419925 1.58167835077362 0.358649555744345 0.229543167803883 0.720486057701927 0.759998253138703 0.429831141761021 1.51248156060974 0.496791433151254 1.23216840775529 1.1866441697321 1.5017332004973 1.52360252709733 0.392472404647081 2.67917579986133 2.84810976484708 1.27311165261899 0.0546793401597174 0.62912521187685 1.26240674890827 2.65859252459536 0.722694589484368 3.13014138174577 0.390003994977128 0.801477173449343 4.02416175935609 1.74693702285355 1.17665608151905 1.13340491448877 2.0730885045555 1.40230925597692 0.270252780725666 0.536187458009176 5.09291860723523 0.0656759611017876 0.69106478295356 1.14755320020902 0.990428189694508 1.46105327561233 0.347923138963462 0.972330964816019 0.586488458130295 1.11180536178853 0.392359245898049 3.1693614296898 4.04829598198237 0.45267673148483 1.41838597330615 0.753777964033159 1.90005113656777 1.0715793626839 0.17109904036648 0.248452726211546 2.08652083530088 1.36292915079092 1.74262279176402 0.871466074856449 0.345451287202283 1.07619477675564 0.0533425179800862 1.29536821448187 1.19270009898164 0.990320194082314 1.20216757089686 2.23542699249215 2.80928426660976 1.52953368053994 1.25639728789027 0.0417254600946532 0.442337549966795 1.90361972464561 1.14927424582168 2.67756920378191 0.378429102709206 1.30388954157153 1.84348768172359 1.4820440084271 2.25207208513496 1.37963448003017 0.0567364199282453 3.19915100819928 0.819029687391426 4.18187407668592 0.927683169271075 1.7998798279901 1.30698957498133 0.281963635596989 2.02442766090324 7.78219135144461 0.406152135699283 1.15028751142613 0.310165979790192 0.13778303939667 0.96147460909138 1.72871416164534 1.19253573912563 1.70726606095901 1.11478879435807 0.17401578241853 0.0697260116897721 1.07967688229145 1.56340514898124 0.359221803410553 1.00772770993153 0.929098729287485 0.321404837902243 0.222430086286773 1.62311123311412 1.24414430365096 0.486295206221064 0.694840326766325 2.13827525844189 1.19439274734168 1.5624069425259 4.75414196518024 1.69583057338571 1.01895107863307 1.07568878934552 0.392931063302854 0.771117498580675 1.12808860459128 1.65047026495712 2.54311681790714 0.49800520056958 0.593231084579281 8.75101525556344 0.467908415418245 2.99216859707031 1.02439904851993 1.31884026480868 3.92716750097938 14.1907378918525 0.984438950962462 0.0670093411901934 1.86962735275003 0.840550932516296 2.07113985066057 0.344063694177079 1.86163137483362 0.165288360116747 0.19260135398961 1.06731203008732 7.16967595077551 0.982912813765439 1.70546928933939 0.156008051911899 0.692089235354493 1.47660980690514 2.79308492478063 3.56086058304293 1.03411435100338 1.16723593835817 0.58622126579893 0.597092250411276 1.5373459368372 0.0543342705143797 2.2020094498312 0.785218025285172 0.976141359802441 0.785160370257148 0.0196513290667178 3.53567092919468 0.644857720083548 1.69553498380173 0.901594269090215 0.483110411314842 0.244700416514551 0.367292216549704 1.03260456373968 1.15278733017851 androstenediol (3beta,17beta) monosulfate (1) 0.739061476009747 5.04631734238264 0.833243369685535 0.109485982604902 0.319876927433683 1.01211036348694 0.377355566249568 0.987889636513059 0.505111089638044 1.40998835670762 3.16164008736775 0.162955961183923 0.691496761021663 1.12316307210709 1.2309878046797 1.84221415812873 4.9468673611822 1.29749788803879 0.296648893982896 0.147913631071231 6.8953096761787 0.0625710723979346 0.852431362456553 4.91235997194895 0.359409397103241 1.0243904492474 2.24697441824199 0.062444402561333 18.569121452838 1.2806852417203 0.32928588482595 0.0549415046991587 0.0967363846280995 0.116431694819322 0.92809844774993 0.349626504957951 0.618023264550362 0.742326822353603 0.409839849600208 2.63856590926926 0.59308241100483 3.47399183887454 0.232983602615968 1.07127586039934 1.12111081799922 1.09367512776803 0.184929299742711 0.194763389137756 0.426228468102655 4.03829910324458 3.9722404025799 0.1168198825586 0.0279390820737406 0.513739341533417 2.36147416172319 0.807514396338847 0.0537723500134405 0.834757244918915 2.19352160577824 2.67889569353705 0.200127058438534 0.42612787321538 0.994144208823299 6.9494070327931 0.499383073678868 0.0180123285086745 0.284727776043223 0.366710939547899 0.130864765409384 0.396645640526466 1.37484618582589 1.60094801289618 0.795113676396683 0.136764384234068 0.343792001495984 0.390019317557606 0.329136453416637 0.261349273796743 3.0218107246672 1.33468879030683 1.95111881550146 0.617531977486781 4.33688476417386 4.79683255500996 0.657234817685333 1.84193203959682 0.90286457507217 0.751371596678783 2.54036067232447 2.77001253888139 1.22046350450882 0.173117539908204 6.39725505353652 2.33374336532891 0.815617502341649 0.494418444677821 0.274034664747711 0.670135172814503 0.775035604746409 1.18522524071814 0.223146173971553 3.75105311577011 0.64098936949963 0.879749456119759 1.10701501159554 3.38750402796955 0.33482486471866 0.866063125170093 3.72257432751692 5.69257743301883 0.401574790002955 0.153413464187385 0.386264749047062 3.61912939090422 0.966442630861009 0.221512863623386 4.60292359630479 0.678125996557234 0.0940165660161252 0.505950124971408 1.04503896069203 0.39341449935469 7.91600827799919 5.80927042410137 1.70817882348227 0.457645378395391 0.34704943925655 1.52437693780815 0.185478188857927 0.742491280385082 0.648171677488617 2.46721107562231 0.643841505867896 0.186256651367339 0.933489248451841 0.600536033005141 1.42912067546336 1.49021307750231 9.11692214707056 4.37749045392086 0.343549071104306 1.54519757503711 0.321287965178307 2.61860972022099 1.14492926635022 1.96312800845498 0.0667252983201906 1.19330956344323 1.28470064464209 1.55417514696871 1.95074857622755 0.460685347540726 2.81155113142117 0.340881845669912 4.80610398088614 0.0773295021012227 2.75868663983023 0.795739785653583 8.43591312608839 1.3895501530211 6.92952889869886 1.33577905522618 0.0175277199438338 0.226393176577837 2.84127086822153 1.42121333295489 0.0798310172856244 3.47578918984801 4.41562217729077 1.14217563783837 6.13745519144752 1.40646887736106 0.131236674307982 3.57584186650683 1.45091386907137 4.61154595558464 0.96129601276929 2.46017819904264 6.94241589683055 1.89049933465456 5.53967111732954 1.67746482518195 1.30150583450346 0.248844619717934 4.04642641880532 4.2277839739405 4.4772697295375 1.58249866012619 1.07237864750383 0.139777221978272 3.0657343760696 0.277163958813698 0.0785742073039401 0.103877369406131 0.502433060572314 0.304310386568203 0.0316748673065781 0.0434978971077091 4.33578281188172 1.24260564967601 0.649201835919304 2.1084625761975 1.384368472811 1.22842344019488 0.689461495950325 0.224738161108764 0.950872545860416 0.618240733165592 2.63262454982744 4.55554131736727 1.0058557911767 1.77298614044549 0.851479370952204 0.309007875619639 0.410740612117802 2.57978176335742 4.60335435947353 0.78948161492778 0.991769167708791 35.3170876068769 8.7008800591715 4.47055992533438 2.18383193891845 0.30728148369528 5.53283066499482 0.155344802541837 1.10761357204514 0.109114564637015 0.0358372416464503 0.106978697258643 2.25389982585815 1.35562421423288 1.22405945867429 1.48648981445461 1.46998599184889 8.190808465665 1.20096813187364 0.0965301859794937 0.281966216814122 0.0470487714066755 6.7621314929617 1.77230242913695 1.03575459522454 1.49673713595921 2.55872153498615 0.799544860310851 0.433961334831543 0.148906729756218 2.10031272070351 1.54216094514114 androstenediol (3beta,17beta) monosulfate (2) 0.280891575795243 0.124653935250579 1.36777972390154 0.557310205849671 1.84757142588094 1.66385106503192 1.31882215567735 0.178983746727687 35.6289950468011 2.83690227319811 2.67802794884833 2.01238770552009 0.368829689059646 1 0.490630355763979 4.4842505226284 0.986821289338381 0.820248789950468 0.290006968378628 0.729156072847807 1.23107237697045 0.210383825828201 3.12946117483097 0.705806926940542 0.551718275136548 1.38454508745457 0.897796102267656 0.164254493160195 0.712225221204457 0.455982261138149 2.18832663875488 0.550067654205541 11.6666383298267 0.668862771768006 1.11576307568062 0.480089827782855 0.88783570300158 4.70264028506861 11.3059245248266 0.932551236548856 0.598707840095212 0.594074766752386 1.01026502029626 0.409630275079874 0.980915138248358 0.721293010009989 21.304982324896 0.478375448961809 0.37090089898625 1.34536940613068 1.39496596037093 1.9601584029357 4.62358758563039 0.789322678681487 3.022945756204 1.30602370376667 4.79797958330677 0.575089083940804 0.241791171657493 0.966937991909832 0.268611990733853 1.83310309650819 0.659483277722285 0.404317117576634 0.335649870004746 0.716659936667163 1.09021033019503 1.04265402843602 0.587103904108133 8.09334863522694 0.40455798071678 1.93825402560234 0.674834760801649 0.851182000439221 1.25856658094773 0.174292818736319 4.2208148258347 0.681791455025893 4.0711538052834 2.08968609865471 0.542615065280995 1.46220928173195 1.96953789698142 1.63569450052777 0.397126644422247 1.4434361252205 0.464313292103231 0.947895635418216 0.410947938140678 0.230739804050751 0.451044566765137 0.399790307383872 0.438030872987199 1.20679517423615 1.03991243916435 3.183608554892 2.16890173492303 0.653057899248365 0.397941328572744 1.1350746321524 0.73031120934549 1.38828555033685 1.64550613138376 1.47955851203253 1.74423876621399 1.7336124512075 0.268449053903754 1.38905064501732 0.570902315828251 0.733761219617594 2.15554799906488 19.3387952592467 2.54874999114474 0.559673842971401 0.327198407469591 2.07404416296517 2.41915853753569 1.25806360203742 1.18598884945345 3.97958330676755 1.03231816603971 0.213617268470307 7.01746966187066 1.41059372764046 5.43188177870345 0.839124675011866 0.599536692665717 0.256611338986533 1.86553460990798 0.38337619280386 1.36990202537564 7.03889231292372 8.27735390587919 2.69892815902635 5.34008458546745 0.504700373337867 1.16117994601832 51.3681805623446 0.329798312541177 0.253317181334524 0.500945742035577 0.320050439575231 0.713989189495533 6.99849106326908 6.33615284891505 0.432604368123889 0.179230513109331 3.62746264850275 1 0.731345504006121 3.79309147840379 2.48307936440468 0.859024220914005 0.450917050985059 0.412768580111789 0.183084323351681 0.96132729758641 8.10580976062454 1.18793700720464 0.72362371510141 4.96243951855709 0.289241210266437 0.832451349187795 1.17050985059401 2.83580926472984 0.36181894176071 0.919686311181009 8.46636062879448 2.931141478758 1.66625578248642 0.7473770712459 0.472580565178274 2.04525393350761 1.04126552327517 4.04018163914451 2.46077827131108 4-hydroxycoumarin 1.72331002643834 0.617570088440943 33.4353468522271 1.21631124770174 0.268369277844135 0.783688752298257 0.406720974863447 4.2034812717244 2.64928804004471 3.19840598726734 0.349428974097293 2.3065364241629 2.34943869368713 2.16845021140108 0.968877873353744 0.44658599407105 0.312309860523886 0.500461680517082 0.47863148175147 0.397288234436507 1.27669728337464 0.408145016280313 1.4816737133693 1.05576128687369 1 1.37953054381105 0.582193711425378 4.02740924332993 0.487554065218448 7.03225931865675 0.495320017495262 2-docosahexaenoyl-GPE (22:6)* 0.792864933126686 1.38652966725982 0.784841411068379 4.0615706458999 3.19485423084528 0.641689149111226 0.432410436956674 0.965919165247562 0.320431918055476 0.764531950583268 1.26393560772758 4.36560217872427 1.43820357295474 0.451129224626728 0.798739069705145 1.35965533296341 1.60020154475123 0.349335093660907 0.353811810777542 0.634935486545612 0.955299160017603 3.19771667655256 6.52533532326885 3.8456830517447 1.03408083475244 2.14309230877166 0.549745198961662 0.544264584887971 1.50074176122049 0.553424028471385 1.3955545350758 3.73498395933388 1.44601900815121 1.14673927304853 1.8293202530403 0.426427725193332 0.723485728336413 1.80467467565726 2.47697504293308 0.804420041460667 0.341238980024822 1.19670151526785 1.38812957576194 1.025043564801 0.239532542153136 0.400997835609329 0.925158441755343 0.540331821402296 0.282967596340654 0.181952169590263 1.46974226548628 1.7516777186331 0.270749528392199 1.36803777138709 0.775443738963017 1.12296839328738 0.202988161453631 0.396010601335177 0.843339226203608 0.692580717582491 0.579357427689234 1.1350625457394 1.01972151571492 1.15105590581256 0.89389674874894 0.671969440008864 0.790059936224825 0.767157922768088 0.635163135965914 1.69947819427423 0.376653057019594 1.86710427464728 0.413425345043915 0.504234994319325 2.00909393960893 0.722655737481862 1.42578676621374 1.55247456816664 0.632176043587154 0.740729906008881 1.0976162546031 2.82921723309817 0.245170940212474 0.575744926510821 0.780746350324173 0.857502038531402 3.90838854457119 0.827563568649671 1.17422713175959 0.881581006232707 1.03561379961844 0.471894507579255 0.928447790756779 0.219568054876585 0.925087494059345 1.42921946843654 0.444153958444088 0.976252931451891 3.5257617887372 1.23819182507603 1.50745388156789 1.28005679703225 2.00855600057147 1.06955935649468 0.894651418419383 2.14459383415928 1.79401794296388 1.8692156975179 2.47817337867507 0.143780365370916 0.558031813724394 1.39009813135431 0.775441795190524 0.769527381437167 2.55947992423175 1.44758957632563 0.627687872900604 0.240648753507295 1.27034425182739 0.75205481049676 0.733925244453688 0.255985118477793 1.1462669363327 3.24999781325595 1.02169347290916 0.605519147616886 4.99958840617459 1.6239461108514 0.668584846155267 3.61566904163269 1.03513174404015 0.480417949961465 2.03501463174744 1.83478468346151 2.25683406111415 1.74425882497009 1.01155135398332 1.15892867035271 0.324623612753869 0.988448646016676 1.94613320478518 1.28912789731439 pregnenediol sulfate (C21H34O5S)* 1.19319031729843 2.3031157270886 2.03329252602981 0.312251022058454 0.0331720088448532 2.16566934078601 2.82429898882157 2.93394792480143 0.104337175684388 0.350707086098793 3.02495294461924 2.8414509853492 2.56837312766914 0.225159578489991 1.26256157891365 0.754622740230633 3.44321083638811 0.9090269564851 1.86636906771761 0.266763172764963 0.213889605565955 0.446758589879673 0.899154474979697 1.12275379458862 1.0909730435149 0.0423899573630055 0.21946248642883 0.0974988643794952 0.121391049982886 1.94988285937411 2.18085127382855 0.90191990571031 1.90122369963516 0.0396217561223942 5.59284054041106 0.8814873944681 1.36344569004823 0.0337233672840949 0.623677305138505 0.0457832463994514 0.370134248884951 0.433292683068154 0.207989779361898 0.420267859108782 0.135309628962355 0.166334137969086 0.156474291894141 2.85300222874704 1.39410502910865 0.6772877555916 0.651744658649152 0.0503859843757223 0.0670697184882222 0.292057412029259 2.8048252907743 2.85263808889931 0.244278092108067 0.0796343459073604 0.0384486869912842 3.58505672044683 1.84163830998422 0.350871405454913 0.0375772235933264 0.059924697218618 0.118980248761081 2.23196249102044 3.42048199085092 0.163907740765907 0.304640838747467 0.29789214790619 2.36688222767059 2.71087746758505 1.0637822876352 0.0991768611016364 0.13716174620766 0.430518112545223 0.0125211057541693 0.50687365467516 0.173029006159603 0.0746705583790987 0.0481032859243339 0.329336422083923 0.592606956745002 8.62516811530717 1.53990415190246 0.0109597338328281 0.794891020077008 0.398637849143866 0.334967198442182 1.60137373946515 0.87341285951889 0.514571066307832 0.651880631661599 0.692389515811176 1.91981480887744 0.140308954891597 7.19262495771767 0.117755976599766 2.56990023624023 1.15990361882644 1.02573250631869 2.9975608553269 0.752484694344643 0.50957071028001 1.04713486449761 3.71646433599137 4.77110861913097 0.328348300021877 0.972506025110971 5.16223704963285 0.716455193866484 5.76032773616394 0.583188507911221 0.386600117147961 8.61524929608857 0.395252430163501 2.17374131932708 0.128127009094612 0.146415379268777 0.586510575828969 1.79755009079675 2.01647076123126 0.996173312540794 1.9392790365797 0.584071559918195 4.09688205899194 5.94723448790645 1.48299841609467 1.13439193989066 0.0665948430432357 15.1010661906581 2.90891597962311 4.8054078115208 4.35537654159081 0.353908393590881 1.55746836277548 1.33360064391462 2.60739479442258 0.059094437763826 10.9208653806659 3.47027566854364 1.09608205868291 16.1417647417086 4.56750731724088 2.9469121958135 1.08603602228979 3.30694323783418 5.86437413077385 2.21616618683387 0.278795150347394 2.02672771030847 0.386204816818214 1.06830030000334 1.33108462813506 1.33268359865454 2.74104313190142 0.589649286199628 1.57913133589493 0.189760639856033 0.589439403614127 2.63364943195858 5.16593201323625 2.84053031020002 0.654653141987372 2.43619112294523 0.904156409138159 0.688696097355647 1.00382668745921 0.640048919381524 0.0329559438426308 2.38452704375743 4.71583018155359 0.662302654036113 2.34402562782255 0.0596676876231209 5.77532519890238 2.14598402548876 2.68618909493865 1.72070190402134 0.451201719440548 2.23867306821429 7.38748793336086 1.04836557477505 2.02289677369262 0.871477819337964 0.564599091427301 5.43817213127525 0.208905794523404 0.752008273751788 5.3092663676548 0.0613333570256007 8.31852424987256 3.7396796676696 0.908458873378609 10.1861916058039 3.58576414064606 0.220212414052759 0.545970016148083 0.806874156848218 2.11679669729794 4.82900196195151 0.59768405511697 5.97174568359724 0.491103102953074 5.55088603285474 4.73657301911721 0.846001936327804 11.6485069300526 3.544276147797 0.109239894121317 7.65293686899219 9.32035898420434 4.56091520138363 1.89833390568186 0.170529987006594 1.07266688788034 0.227969056353732 2.18520348374189 1.39450882775168 0.485144497722001 0.115479458739852 0.474358593024404 1.03776457277241 0.0290572782452065 0.0911055236847347 16.4186827949201 7.63986955346643 0.696500896765194 2.22584190278779 1.6531070927824 0.316110728901618 10.1361983465115 4.60380387077568 0.345644942788969 0.83600328446932 0.66655438592154 3.15605723073191 1.59123010123165 0.0687778794570917 7.225788466424 11.112809571985 0.581396393908152 12.7083874617946 7.9799398602697 1.18771705303733 9.33856829431256 0.539168532754624 0.539762127060857 6.40334256687947 1.28398877862113 1.05619329387798 0.156718425257399 9.60646500169258 0.0248279510038761 1.19936824054141 3.87614558228704 0.0756465767828399 2.04226571727631 0.0234527694007157 0.167031514707168 0.263104431265192 1.53617287732414 5.50967024355522 0.71244141475284 0.221816535065135 0.790844277808831 0.388931745281859 1.96895823684207 0.982660736904196 1.13050640805012 0.214985951386815 0.625770722975975 0.307058480112724 0.609504693837319 3.28171663868018 0.359739781647429 1.37723433210404 0.0579319715172592 0.89112205676693 2.32276722592006 0.0889750222984152 1.18017492876546 0.735307543012732 1.59488463346582 6.81390097430587 0.156291964445633 0.727441452737725 0.393674834189538 1.69960548512042 0.466834495477674 gamma-CEHC 1.20024687211079 0.522421499071376 0.683000882151994 1.45392997898163 1.16475207615532 0.629135800858671 0.59667880373015 0.99675511558474 3.92138574501079 1.34697761029754 2.10613380990195 1.0845724497899 2.35089429992842 0.54164784688059 0.835141935157752 0.562103663458199 0.907452309167369 7.18188310915367 0.608647372377392 0.842461676936699 0.781766032419493 3.21628377574098 3.39414746776721 0.547759317628528 0.7182445664492 0.664839312997637 3.89036367164379 0.931906345135038 1.1476275655377 1.24062693123617 1.860054168372 1 3.96877899402061 1.46080329557158 0.447055519146147 0.241747027431888 0.155970414755173 4.10715288830634 1.38658739818369 2.65391255500421 0.824207471210561 0.69869862372437 1.71471585057579 1.32481415597791 0.537331710513997 1.05940829510345 0.0988072277876603 2.71265799082483 4.0562082202041 0.419683550229379 0.463645726055613 3.51594794494898 3.03622132759105 3.42249040352027 1.39599475704522 0.619917610710608 0.693800205973223 2.65010954030522 1.02152232936991 3.98504072652373 2.63449676996536 3.60395094092314 0.486259713509971 6.08802546578036 1.25865181162813 3.14613051212433 1.37956558374684 1.92628592828387 3.12731204943357 0.5783803014699 2.79942701994195 0.143718752925756 0.533989326842056 0.485001404362888 1.30968261398745 1.1275461099148 1.30361202134632 1.46629529070312 1.5756371126299 1.1659339013201 0.853880722778766 1.32201479262241 1.95953000655369 2.87950191929595 1.59579814624099 0.210261211497051 0.710098305402116 2.64924258028275 0.832680460631027 0.550169459788409 0.575541615953562 1.04274506132385 0.598938301657148 1.2373204756109 1.48884374122273 4.17848890553319 1.81618013294635 0.525679243516525 0.646424492088756 0.430193802078457 1.16743376088381 0.149809942889243 1.11448740754611 0.629004774833817 2.02329931654339 2.86173204756109 0.369708828761352 0.302301282651437 0.0830970882876135 1.50996910401648 0.393453796461005 0.754850669412976 0.992588708922386 3.52737196891677 4.35573260930625 1.00280498080704 0.460625409605842 1.39154948038573 0.941432450145117 1.31698904596948 1.51207377586368 1.66920887557345 1.67230970882876 0.542726336485348 2.81225727928097 1.43930156352402 0.528055425521955 0.810261211497051 0.506063102705739 1.92304465873982 4.30117966482539 0.998942046624848 0.954773897575133 0.263426645445183 0.394039883906001 0.429916674468683 0.959466342102799 0.986115532253534 1.13521018631214 0.874412508192117 0.261902443591424 2.26688886808351 0.406357082670162 1 3.18413818930812 0.749796835502294 0.545759760322067 0.70194551071997 0.279288456137066 0.551852822769404 0.872062540960584 1.54664731766689 0.205870236869207 1.78154667165996 0.435223293699092 0.2535137159442 1.77185469525325 2.9886321505477 0.399706020035577 1.42116281247074 2.29762194551072 0.521142215148394 0.602561557906563 1.45233030615111 3.95517273663515 0.950710607621009 0.472966950660051 2.42514371313547 0.312682333114877 2.40558000187248 1.87687482445464 0.35438254845052 2.18146989982211 0.405752270386668 2.94343413538058 1.2108117217489 1.94972380863215 1.38206347720251 0.724589457915926 1.18026402022283 3.94478232375246 0.371695534126018 1.01256436663234 0.55307555472334 1.00174328246419 1.80935680179759 0.43502293792716 0.298136878569422 0.0868364385357176 0.893691601909934 0.311944574478045 0.739606778391536 0.501896826139875 0.576189495365603 0.821056080891302 0.660827637861623 0.962889242580283 0.311298567549855 0.082194551071997 8.45958243610149 0.397092032581219 0.703514652186125 1.18899166744687 0.445244827263365 0.360769590862279 0.521155322535343 1.9605748525419 0.663503417283026 1.10543207564835 0.507635989139594 0.65934650313641 0.808624660612302 0.447965546297163 2.6681097275536 0.216676341166557 0.794801984832881 1.01836344911525 0.671830352963206 0.935391817245576 1.62385918921449 1.51035483568954 0.957292388353151 1.16143432262897 2.18441718940174 0.518075086602378 3.18423930343601 0.266935680179758 1.6637430952158 2.8335024810411 2.16610804231814 3.0502967886902 0.807119183597042 1.00061230221889 0.521140342664545 1.62459882033518 5.45539368972943 0.302688886808351 3.10452204849733 1.45075741971726 2.22363074618481 0.333968729519708 0.629349311862185 0.30984177511469 0.836586461941766 3.72355210186312 2.1994588521674 3.30910214399401 2.54564366632338 0.76226757794214 1.37693661642168 1.60409137721187 0.595009830540212 1.74914146615485 0.244190618855912 N-acetyl-beta-alanine 0.68580027503701 0.681178751512328 3.29935261097293 0.739684233465842 1 0.374350920171635 1.72153066362072 1.54651770081083 0.94347839155952 1.78700036821895 0.935980627174558 0.680091002682738 0.411539155200529 1.54191308529905 0.706251455967777 3.39524546677388 1.77714487536916 1.39233540988781 0.676713157439902 2.55756426923568 1.59169591126675 0.501377063716907 0.627832092159942 0.964299670105882 1.47587226559858 1.96431845678688 0.944058900002254 1.39918691244655 1.17710767774079 1.64597626866457 0.818026571881599 0.821135767586212 1.10399930865014 1.59170906194345 0.695218038219624 2.22624363118392 1.02716334301211 1.04580753848682 2.60279645811647 1.57516059003999 1.00342923081137 0.625231126390182 0.751741152139374 0.646890237221279 0.807660042184846 1.72219806333206 1.26763751164192 1.79254951240892 0.496952555744261 1.98841628773352 0.750472525064373 0.395161069413247 0.533143524352161 1.08162014463376 0.639651701090232 1.66255547033364 1.05758984824412 3.34865330356654 0.868204884128636 0.884044746069139 0.913794992603956 0.523117775160248 1.49607427546157 0.377398578315893 0.862039801676437 0.539808524626089 1.27881375664274 0.533330137511642 0.634520695228182 0.656210622911302 1.76246712869117 1.13390778228236 0.528313838821016 1.05391408261656 1.81205315564565 0.640920328165233 0.8103034432696 0.84320556894757 1.34505458006903 0.646749849339835 0.839524667177998 0.805896633430121 0.952415356379773 0.263292335506492 2.12080034788802 1.30858625979291 0.458438338903194 1.30593772256615 0.481949884950419 0.80443796910097 0.636770325425957 0.353469292719005 0.845280570317208 1.77402173615296 1.46116905440202 7.54941995836301 1.87443844847422 0.742117734071112 1.49434681970087 1.08583178107708 0.716978031008601 0.647955130663453 1.33985680436093 1.06926943516134 1.67287569166712 0.94733057579576 1.16252807757629 0.573157494658412 1.41527762559579 1.7051460718786 0.833393825672492 0.591692119103709 0.453396359502548 0.548074289157947 0.413414918095656 2.34796677258533 0.657636758341095 0.989121651235413 0.763598791979401 0.506358543801019 0.422451103928121 1.7761018736646 1.33050388977154 0.486310469511861 0.504081520845888 0.562933147975675 0.756822508628719 0.379081520845888 1.39506861885717 1.36720333643785 1.0835325015066 0.68904940283789 1.38233269873446 0.514478784309429 1.00132512463705 1.03532638470388 0.689795855475812 0.588629266421958 1.44958876623021 0.364688338903194 1.39612666411001 0.986060510600997 1.44326103928121 0.746957691886265 0.676929819755657 0.446192064318194 0.780477866652057 1.32429258204131 2.14043581876952 0.314357571358133 0.645616474004273 0.635708856078453 0.534841875308169 1.18472990741248 0.978619952884457 1.21699172738728 1.45172026516189 0.548370473346847 2.87762456856407 0.719302991289103 2.15450371171862 2.07390394729634 0.559226565496083 3.49293095655509 1.71310195584288 0.422031652331124 1.37513525173944 1.05014073029091 1.13735413356709 4.76306634525831 1.23080794937818 1.98232139922205 2.02301334027283 0.822559990138607 0.94721758067167 0.834636772037473 0.656441749301485 1.55684681970087 1.03639127814606 0.703059086177615 0.419776885991344 0.344131786555635 2.09087889661973 0.520660987234975 0.701458321919684 1.76796108858818 0.274466868459979 1.10770832191968 0.82075206815318 0.968631868733907 1.86008121952556 1.8107280310086 0.660487317153345 1.53819748808415 1.92001999671287 1.68019298197557 1.71452124308333 0.701293965375555 2.79082719279023 1.20604318468197 0.873758765682354 1.28378896619734 1.45762854051389 0.279132197446995 0.746767654632115 0.600964567468361 0.822282638470388 1.5388069769353 1.35306696159535 1.07884662795157 1.36791041198707 0.801029282857613 0.893414781131869 0.818273023612557 0.998674875362954 0.622844532405632 2.26608468470936 0.801075508135649 1.92038123870049 1.30482831589328 1.09038925108201 2.37677539308607 0.487209294362571 1.17262915685093 0.955613460800964 0.431185969429683 2.62344374897277 1.07543794170821 2.21773133183586 2.49562571905988 0.93660459924396 4.87558552018846 0.874914397633266 0.732086848737194 1.17028707609708 3.38014983838273 1.75450782063223 2.9881286637813 1.27787213060867 1.34813626527146 0.946287938968937 1.68639744151646 0.666354503369309 0.951716841067222 1.01916465786446 0.91589053854161 1.18770544568016 0.473297197720923 0.734603558319181 2.89158802662576 1.72905481290747 1.35207568618857 0.851152892675177 3.16554984112201 1.14098881005862 0.62529960828357 0.354005163534761 0.638300895743166 0.894253684325864 1.31085985865337 1.00142442338246 2.3923601599737 1.42409295732208 3.66172855147099 0.572176491535638 0.475466361693968 1.08694461184463 1.07020421300608 1.2657456993371 2.2674782912398 0.553145373363283 1.12299690461842 0.6180747685312 0.535506149674026 1.35683004163699 3-hydroxyhippurate 0.156278819090964 0.404263728366968 24.9032995987784 0.182418108868795 6.11366548895143 0.523624169111923 1.50449128690341 1.11601293490628 2.77739984430205 1.04469728726271 0.832606742918738 0.831804299658662 1.38616683633751 3.60950356308761 2.89644888915504 0.471998323252889 0.49156835738667 1.50553925384754 0.555170968321456 0.330079645487754 0.290484460147314 1 3.3040002395353 0.374894060336433 0.428936037941577 0.300735081631216 0.830042424433754 0.597526415098922 0.617507424883011 0.28840844020389 0.227168636517068 0.732507509877584 0.82261147038182 0.305047949080966 0.413957565852581 0.343533491504185 0.302774951370962 0.194156744562169 1.18208994368503 0.313061723058542 1.03208180849023 4.99467933976216 0.858571459793925 1.60029238132936 3.97606067155426 0.650665021819321 1.26750220378784 0.363247375489022 3.29339397898449 1.96516679577747 1.65608281871143 2.4260705066405 3.45967736060283 1.94606001588184 0.24820843583274 0.534601290460452 10.3504253371249 4.04396404972425 2.25122452894794 0.344689417690042 0.501011435412624 0.22227780597439 0.196114048145783 2.64917883100893 0.295120583014199 0.497320242550226 0.179353118450865 0.814228577118004 3.2040525412163 2.15310679446613 3.22005094817517 5.50301973573973 0.277752549230071 0.968729282572956 7.25976041244223 10.9640570095024 2.64986850125428 0.220728476338725 0.411946837109116 1.36494969535517 0.678363538785452 1.50068845603716 1.21031299858423 25.8810027416821 0.531740615992093 1.24146472360979 3.13673198297194 1.75563331884378 0.779696496523722 0.535907778460433 20.4554883423873 1.29802254056062 1.90117316794199 5.21380020447266 1.43310562882627 0.873273092418241 0.618313659113482 10.9128077107076 2.81062480724445 0.231296944323698 0.278704488441952 0.420252021049513 0.423195261674005 0.307146100813277 0.189008501885665 0.34772008130338 0.69020449694141 2.89948056174127 4.71322588400426 0.180470189975012 1.61798582290531 0.620416667678507 0.431961844722201 0.444196206327967 0.568856531590054 13.8610071613998 0.996136389576266 7.82643136931113 0.276276072085111 0.258990604457115 2.38336923342181 0.527855149821147 0.64526908067442 18.946693832551 4.67445378845094 13.1703364085179 0.826992333489562 1.46646721273656 0.991551539494549 1.80221520140071 4.87956754761517 0.78027445961665 0.21907229638336 0.249140947713767 0.659062485581278 2.56378114140426 9.67581127319441 7.31099999757158 0.270200174360294 0.337559587266356 1.84173524919195 3.27038716241977 2.56186269248235 2.94577589116809 13.5002222000967 2.57416504974611 4.16781328392316 0.685541937536275 0.484454492691681 0.448484789614149 0.513556634312066 0.690607614056645 0.527048915590676 1.14453205631012 0.422146185807849 2.56441252965704 9.34283653600977 2.33553428802475 0.912598866900928 2.04076825379865 1.00386361042373 0.770755067497833 0.926571974618192 1.03155241372444 0.513993749256298 0.170596249068095 1.43459181963666 0.31712203520718 2.29188107559417 2.72525625863606 0.777088377356475 0.611659798295737 0.886401111243325 0.176167036190689 1.15403202109808 1.49384517874359 5.90205711149588 1.16036533095672 6.11828816074174 7.08592951278683 2.48240976611922 0.261763855936628 1.57093282757515 5.36451743724365 0.36919213873057 0.605554759574639 1.53220444351625 1.50713832988094 1.98303508333111 0.870723255243558 2.52976874191034 2.74013273723807 0.488830498966709 3.86155112666377 0.365219249570777 7.26476295013733 0.320196410314941 0.338312396336977 5.89959955414276 1.78654705906637 7.01416009577674 5.09621142764169 0.409664125733685 1.1749455427632 2.51431915704811 16alpha-hydroxy DHEA 3-sulfate 0.894485458523425 4.47701670133961 3.26346852158319 0.30763769198306 0.159507571815303 0.823628226785047 1.73972855605408 0.313531824955596 1.26466024902758 0.504585634537679 1.40136213760678 0.635786820317924 0.186770910413433 5.00300768218162 1.541648815535 2.09601022918451 2.69112643404726 0.705683350469657 1.58106548668113 0.58800152339823 0.306835277419739 2.42353901878057 0.410821159681184 0.325129323014178 0.153623503335579 0.0188434754066112 0.0570620144311103 0.0545952987381642 3.53800272427521 1.89314756719479 1.10551454147658 2.77670847624723 3.11219599227322 1.15103898732903 2.09653930282155 0.0504448058642711 0.219659403078909 0.14189280330198 16.9711023258495 0.616933344187813 0.507520193193885 1.27530069185421 0.232763215675136 0.0677390812950978 0.188823966690218 0.932954377316357 1.91530535056502 2.10951238628794 0.66588546107867 0.256564830655268 0.178841609180513 0.244197260749351 13.8737703291225 0.799475776189353 0.0475319231621713 0.0826612172426968 0.289421220546579 4.23641650063077 1.20910421429119 0.191023781411387 0.195659911734068 0.616731308259882 3.6236344005386 0.965065016944278 1.18624206637593 0.513383988890401 0.376870689281222 5.13459455251716 0.643834427991721 0.252220463981451 0.336535404716588 1.34417117434572 1.0998455613598 2.43104781180235 2.26537240866639 0.123887242560176 0.319239346615809 0.326015869327916 1.02982941631226 0.788567024527756 0.0324766811914653 0.430327018918288 6.21470001527154 0.750666867117999 0.96828630154813 0.915111039540214 1.76696463004548 3.2433742614547 0.0507894553883873 0.24058557142594 3.33668396054595 1.60379090707595 0.334064029939348 1.84745633795619 1.87838982119226 0.245850984241792 1.43517647541193 0.97030725505075 0.2170460089288 0.835543943111436 0.848361340068657 5.76594969661929 0.16589942532663 5.71927939726741 0.40962546698525 0.471878678613725 0.996109619940708 1.10144402208372 0.260954952524528 0.0884923306567534 0.108998383118353 0.365421194400752 0.335627431487537 1.3130998313 3.43179712740564 1.70001111197604 0.821627233016949 1.57816680918123 0.897721688378596 0.605151678472894 1.0159852014625 0.0248325924358937 1.7472530541593 1.89484208218227 3.19019365143692 5.62361419694581 1.03824124159397 0.219420525305297 0.413129007664887 7.39338712638952 0.0397077847414148 1.10210182729612 6.68002738181047 0.645808437852263 0.412092087975951 4.12080678888256 0.756686349323685 0.933886713701423 1.75841256806085 0.530564767667596 38.2360635319802 2.50172770429546 0.204937520389288 0.523294445378696 1.45309409110275 10.928766291375 0.482433273178126 0.427967952348044 1.38246886715484 0.389404047492704 0.142424633171091 0.551323959262426 7.15404882970689 6.90811762531724 0.558954975105014 0.0948980580187763 0.0574275240675299 1.58626310188137 0.070990077064822 1.8823532907196 3.5926248567179 0.36376568823836 2.40107994145712 6.49869775959983 1.17086297269722 0.0148122046338723 2.11669476352586 1.4296460389965 10.2808976812812 0.575915297031439 1.22663855594226 2.48309048416722 0.0651601520974003 7.50556579270282 1.20031921676613 0.674314518836582 0.234696224126774 0.341819832678598 1.42903696009612 2.06813661669447 0.0671169294817363 1.662482938363 1.10762216191516 0.0352160506848721 1.41305057018698 3.07159321373203 1.00389038005929 0.666129686862138 0.188835256933249 1.42976369521335 0.375420784386664 2.3421638879794 13.421638879794 0.105683211230345 3.4300958660478 1.07870309572522 4.41025593792506 0.787730358096798 0.350245919319923 0.602273260723205 7.92266242945826 8.97776772880123 7.96821499475004 0.113001665607959 1.17111967717036 2.70046093902734 9.18685649328617 0.507672908586468 0.607903526655967 0.0220540042035358 1.55031199695282 0.0727834430368615 2.26278516034225 1.67136241739553 0.337219949978281 0.738822213731431 1.08626458743966 0.253788025092862 0.472336824791472 1.81073452538492 0.632814556569763 9.17628228935229 1.16180403822282 0.987225387121636 0.470008657833735 0.168318508451935 4.26322191448057 1.68965558222298 1.72315373329713 20.6643636551627 0.208348956454721 0.373214433209002 3.37121724863908 2.00275184818307 1.43413658460641 1.27139248509539 0.593358128291626 1.02164577278445 0.240038291750576 22.910318628485 2.70751377558206 1.06684596364898 0.555584540448484 2.43532265434802 0.144056964624103 1.81041602168677 1.75234673643641 1.86094223614554 0.218721124460668 1.08416460223582 2.17127298678626 0.139001312639308 0.345879566383361 3.12345702487835 0.167561467945515 3.07350245325097 1.35699391931279 1.32149977211536 5.02578869775366 1.14508081140006 1.29599451888412 0.242077666176036 0.88790927873768 1.24542076655996 1.34553848219915 1.47795698892784 0.263283119482265 11.0915644652079 0.0423098886484925 0.958571344531274 2.89901828365725 3.40241932081463 17alpha-hydroxypregnenolone 3-sulfate 1.76325072151725 2.09662375738696 0.564322689999542 0.490393513216364 1.10087498282102 0.335846809290394 0.428054423015255 1.65347015438179 2.05735489486463 1 8.89552430253333 2.27315955838563 0.468248660039397 0.403005176599936 3.10468642631362 0.932447661367905 0.673837555545375 1.02673507719089 0.423931467314123 1.32581428375097 0.590929497457511 5.66195428100234 0.357735123001512 0.468997093731227 0.244126576934942 0.804809144193145 0.264170089785845 1.7108830835674 0.551460440648796 0.486426588300239 0.473502622136351 0.323350814242341 0.334756701466123 0.567120196132552 0.805872611258138 0.234287477066455 1.17044698089007 2.93454400805313 3.35259209949506 0.389975808153789 2.39871085061129 0.778506599990258 0.984656849214983 1.93960156516374 1.2741553148999 0.883708658732607 0.558685522235392 2.43591596174766 1 10.3035508434674 5.6923901219334 3.93618385803121 0.362772158269877 5.34699063174815 1.21161370979526 3.00406715266841 1.38716695621114 0.434576480329918 1.26073614651491 1.49180886817879 0.541694403403095 0.268610673637382 0.745693364290237 1.11591791008427 0.555689954701174 7.57316003961618 0.307553051582212 0.553368186910425 1.33843418681301 0.282208439544739 0.643787241642448 0.381232647627088 2.57776298485168 4.22149340000974 17.7868600931954 2.19979380104236 1.6692373885795 0.378878407559546 4.97282070432368 1.03389293890341 9.14194443993441 0.606971797827605 0.504229514052378 2.77994349823838 2.99153285382605 0.548294393661412 0.886631163644039 0.267011414005293 2.98123914208245 0.814899904206784 44.5191992336543 0.268854215713335 0.375038560828693 6.38299426864315 1.45121852218668 2.27065642707538 0.62438505625822 2.26643503109221 4.92630416781673 1.77604682502314 0.286145703105973 2.7963095257424 5.46838012047215 0.574329041580751 0.354654089071455 3.20014287801789 0.51774609926775 2.7376564757838 0.385527106233053 1.61585296553068 1.50603984348363 1.59960059099544 2.61020278936858 2.29506746115504 4.69112370313845 0.626008670097904 2.77017746099268 7.1862122712734 5.5025734279359 0.351195791592928 0.418413404555861 1.10667954733646 0.356553717263886 2.35759283012128 4.83511389651085 2.98959263528762 4.01309444561705 1.19200857268107 0.63539315809128 0.47674984981572 2.61745222516277 1.20449416310825 0.268399603838223 24.3637463265737 1.7967884918251 0.79979217742852 2.19271484470134 2.26377230439512 0.926434056923901 0.460797843840821 2.71935834781056 0.225243947979413 0.5 0.517989641343703 0.78492799272621 0.858461463525515 1.08584046370411 0.383124157750321 0.581383643714179 1.81556558588105 0.594762221753178 0.347112402786121 0.431012647951811 0.328692503774902 2.39688428504165 0.405692390121933 0.513703300806936 0.425403062135702 0.670674286827621 4.31680765046841 pregnenolone sulfate 2.517232316115 2.50746750188091 0.868062733984522 0.297244386629862 0.184848363619313 0.919048829663355 1.13477379399167 3.39734147555377 0.45994856050722 0.614650748728961 2.93771296005933 4.17925703959224 2.91521861354264 0.223369050184693 1.05732892325071 1.05205506322825 14.5717483706311 2.75124716465499 1.54182717311209 0.288429383401451 0.77614959179205 0.783193163081431 1.4004481490515 0.627118738850582 1.51962792186256 0.335995643258213 0.0988052943360206 0.195815927659503 0.66673893489536 4.64706132862558 0.437640046578594 2.80976722317505 6.9520943375692 0.947944936771752 1.19406583120067 1.3402973834933 0.0695844971752768 1.11169882420711 0.336406826139265 0.298093049350899 0.259253481025001 0.176990732267849 0.25724557240022 0.142828533454143 3.41052993186462 1.42061672872157 0.756719030803434 0.638409184325562 0.163692931741608 0.466543606944949 1.83961032921601 2.161231987327 0.195169918423556 0.117918315546928 2.74728178526104 0.811327844899747 0.904067421326285 0.0358250801813343 0.108755591691744 1.13441961914991 2.55369674204262 0.219225818839688 0.357908024733954 0.195976982181592 1.44501315603933 2.48207433387238 0.539817645594002 0.264321631408881 0.105493583993136 0.880816334490425 0.521860476977681 0.240916782425812 0.352644108884602 0.32151739987459 4.67978470299154 1.0794980303444 0.741663091384219 0.513239295904377 0.206810087996952 2.15218402253778 0.274559940235279 0.520164593002847 1.48215909056816 0.946095491543832 1.42191433123217 0.1091171202525 7.69874545089062 0.085816529505831 2.66225431809113 1.27369662203314 0.556956499563466 2.76237372752448 2.35165553078693 1.04168829337518 0.45283927430267 4.86109952686262 5.13090934183801 0.181354577011584 1.05547063217994 7.10720146891605 0.314612354375996 1.948525683529 0.405674798309066 0.173193932320653 3.62380328045916 0.48465153747146 2.07350055654397 0.109605408827297 0.0543837963199093 0.254666118623371 1.57880422553382 1.68988575097433 2.49767031595496 1.47758822947013 0.573379046944709 1.40205576240523 2.2616334190401 0.934200301823844 1.01453239805945 8.36709700066305 1.6348254012067 2.27110591736747 3.5696835049969 0.10350742708674 0.504684870104738 0.828284434470323 2.40623584263157 0.0835783526898625 6.62239916953439 5.36163731934823 1.02326308778394 27.361245038358 4.41374318571167 3.05323395548248 0.434330812134159 6.30644420909252 3.36121053563232 6.02308232350356 0.264740164472993 1.39801819343728 0.241822103946212 0.722598085248735 0.96493998025844 0.527281905270516 4.43206563318502 2.7361636569289 1.16487277494922 0.124942620467017 0.387890143321322 1.08167020194595 3.21496248203608 1.32088284974513 0.817701098386772 6.72862856165637 1.06838965278257 0.731258269403283 0.687957348630542 0.291843555640896 0.924423279439076 71.2261331145161 0.449061975896096 0.966360592486807 0.0356900695154917 9.11597116172178 0.876531245968432 3.11521285181529 1.34205777256403 0.362522389268752 1.35624364324782 3.72409670363959 0.30330071075615 2.20328180926293 0.526843870665783 0.45748589138542 3.54897211879739 0.0956295547348241 0.444506866042417 2.9977490721767 0.0298448577437618 13.8347514453642 1.31037601970556 0.346123843783659 6.58315681938873 1.74238389832797 0.137929146402566 0.372663190392041 1.64548974368975 1.92686847260934 3.79172054592313 0.475878094369455 2.18368201087886 10.8430456006025 3.06117933316732 4.74096778645513 1.58179996219701 13.1233269928324 1.51140390090817 0.0897655914817271 3.53507652104516 7.23420600227418 5.67524684450072 1.08956607571998 0.142103976214121 0.79643166810178 0.36839760341067 1.99396352311833 1.8367256013225 0.360518230940244 0.082010728847579 0.233932980705476 0.647040116169177 0.0818532164040959 5.59972037790986 7.38042855385575 0.412473335393496 4.47808551875598 1.43957072608736 0.171391539931655 8.80153807150765 3.84881955674498 0.352863126186969 0.612697153075093 0.321842175531867 1.4728883581803 1.09611859336888 0.0861518059926734 5.06221966535356 5.01340805923668 0.303440971836775 19.8253337013624 5.7989271152421 0.765420468216989 3.52523949392002 0.43538689556475 0.20294503265758 3.47956163536919 2.21632158940556 1.50480487958549 0.44392557012004 5.91561308343359 0.0229765651486467 1.03470374159559 2.09238029804354 0.147565157647454 1.16135049668924 0.265727242452154 0.239778192477206 1.79172129598238 2.52924481034002 0.456657075908997 0.34145322480476 0.382961503958813 0.299953946361763 2.22522479275863 0.415218552265629 1.64722538080508 0.150268371201325 1.37507013054031 0.331561443354025 0.346587380403052 1.18127057037506 0.282794840792423 1.67856360652492 0.0513670579975818 2.59299684675089 0.845684309060416 0.182432412160561 1.12518338948777 1.20002805221613 1.44872594935 8.44904472453324 0.0588721508999211 0.985467601940553 0.732942902489297 0.825658477019685 0.329847557957079 5-HETE 1.0112971639267 1.39414488092928 0.313761747664329 0.439253139641263 0.55555709572787 2.16956280668681 0.475331984142386 1.91465720384797 0.732951678633806 2.16092706051953 1.27731973053145 0.676859527043886 1.22187075490006 4.26026725070001 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1.04260364044965 5.78157302086855 1.86940374900609 1.60153597836489 0.943155469006661 2.29613529560204 1.19653000299959 2.39870684524518 1.08400268534345 0.387460779225726 2.96832342200363 4.54066819343995 1.86237614805575 0.809950054516281 1.48862776092825 2.60497836013122 0.848935147051122 0.377333606311509 2.29642573168467 1.03127663322684 1.47059215632127 9.2527889005804 0.413947597712697 3.16892429140738 7.9731560879688 penicillin G 0.881082565029398 1.1189174349706 12-HETE 1.3473992765506 3.70656866652427 1.82121027770531 0.3054083762895 1.55585160691663 2.24352906023889 0.175771130333226 0.794472726478912 0.463121620058538 0.770880653587618 1.69681008869464 0.624435890015437 2.7171062994006 0.302657503964631 0.0913672848120043 0.95558749527966 2.54441106455242 1.93325352276443 2.12472672813708 0.889692687873316 0.269422369870596 0.270113953665705 0.627118847053106 0.442890444303931 0.340916550152029 5.37091070003834 3.92766294249349 1.33126909264722 2.09152888681235 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1.79769296406274 0.524581953641666 0.751510769968168 0.491545709913077 1.85354793847557 0.988250328548975 0.45638086101784 4.33409070676251 0.997909399442148 1.7259072906202 0.31064897815325 0.803238339743502 0.509662628402215 0.960558678161528 0.470169071918776 1.84330231243294 0.746023876265324 2.00365885466604 1.40593139144244 0.0560941084353051 0.118469910154675 0.423157891448772 1.6493000644343 1.19651558475297 4.87133461600334 1.12649027090692 0.512980656348271 0.771963149759504 4.15987376222547 2.99239265737075 0.993448456639778 5.3018057048215 2.14237081773597 0.904207734927051 1.99861725697311 4.14122026725049 0.888418295036893 1.21854194537436 2.4023577434564 1.03709544831469 2.40983198318634 0.848107379158793 0.794788474850754 12.340315826976 0.233409035968846 1.43014535981948 2.16856102577042 1.11490216242753 1.88653107987406 1.74021437723028 6.56744386380884 1.57753729787926 1.86480250879008 1.39279776220534 1.36910197538933 0.247111519578708 1.74688236393526 2.77498477646435 0.310167239367777 2.28850634772412 1.44361079185119 2.94415318182741 0.458895759605405 2.13410143135075 1.24252615072836 0.236994658009714 1.25642334288192 0.80633076955515 4.53286140517442 0.664669024109326 1.11010941683056 0.5740625659983 1.34603265723886 3.84231835749287 5.21967305971288 0.894126274911457 0.561274969591975 0.709436370827107 0.615469888809621 1.03234226915975 0.900743241730657 0.410679885097664 5.28776031204734 1.18602804809544 1.90371714575323 0.964105427908468 0.956421208376493 1.81608823594233 4.81414895967156 1.00808179285961 2.25347199867279 4.15493871626679 0.772116903564954 0.888556430509961 4.27697481231537 0.690469467982332 0.420661734860066 0.918495038316108 0.398236933225902 2.26072758174939 2.54676935662362 0.495292374314507 0.863777078500689 11.7284194126153 0.621833491570179 1.5438246068215 0.595672437756173 1.9841761997786 2.31942925754439 1.62319384832066 1.40248702854111 0.371738870506497 1.45011843034371 2.10772692699419 2.96475445638746 0.362228694382034 9.16787885171938 1.08959768737617 6.56644845542502 0.833963417353599 0.504101807926095 4.5697810604813 1.07445484644663 0.773368799673889 3.18601069439279 0.2515929397502 0.67248339641115 1.51535030444468 1.72854470634845 1.27061867164695 0.820733648603834 0.240373076840981 0.24517102854875 tridecenedioate (C13:1-DC)* 2.06023101982834 1 1.73242121107509 0.949531704052304 0.162242953075172 4.11672347590534 1.59017524228248 0.196672393884442 0.939882730917321 6.33360249934197 0.215289819705068 0.961090631567948 0.439474021842789 6.71753110619955 0.869812271589164 17.7620228586092 2.59451694952245 1.03976183768298 0.199211945415514 2.31263797237973 4.24985946492178 1.48852374017743 0.43892775372699 0.958416166361788 0.240088804942602 3.82964106349011 0.294623028706191 1.13580780885642 1.963377550629 2.47116154060836 0.189456496291858 0.330528583842897 0.856485578124938 1.80667663969716 0.338915717310879 1.31105544546527 0.205138597857934 1.63468202326671 0.470696743910946 4.03741134141484 0.447476395760263 0.197407379569381 0.341991557897384 0.250689986295106 0.666524302479876 11.4499532516285 1.84226375915913 2.37467818786313 2.54033179753284 3.16034445576958 0.305675343623361 0.580327470410845 3.95924286604396 0.191638117730031 0.196413405929703 0.293055741901222 1.79836243720932 2.03309826851899 2.98330826740209 0.271545168901761 0.556133519811686 2.21016747226533 0.678834824059641 1.37526824995311 0.642890910866204 1.32372702884771 1.7728836966547 0.548118509756045 0.244922831820363 0.750129778537053 3.8747389502093 0.255853029582482 0.446002645445037 0.396726841292264 0.466074590872723 0.340434917907612 0.410171827485514 0.359257898578161 0.227594675111111 0.40699251674828 2.07907323724219 0.440185616674593 0.312874101121188 0.777604193374586 2.78035711400632 1.52843712923554 0.102736834415231 4.22500050927978 0.376968893191035 3.58028883539305 0.179095786043486 1.08945411529673 1.78823303799789 1.25928381916283 4.49142548464118 17.0333918946543 4.58773766682425 0.410053815067516 4.13591448033442 0.610547781331419 1.09835140866787 5.27483055032422 1.31243366191831 1.5391418389847 0.889526327657264 0.315955770631626 2.23111046173061 2.0680018460514 0.113879173547798 0.685291789215772 0.38020510277266 0.542511514991441 0.616520755082788 0.132190064618823 11.8303697933167 0.509992771739398 2.27219774947509 1.18739739768569 1.27077106363609 0.77301365080547 0.450454101950085 3.43013629731824 0.592541755673552 0.76869355336093 0.739587335862639 1.23261301269547 1 0.649044415518914 1.47425116554824 1.78739290197453 0.378836720687788 1.4906513793755 7.18222943721423 0.865914712144532 1.52959336994996 1.67868028398845 1.94199127691544 0.336102878730299 0.920616277705698 0.640803917450314 4.2785781470505 9.83702625565564 2.31029749666158 0.946597273491671 1.97225162776355 1.19228859093875 0.126079409713125 2.41917238172241 35.7711064858361 1.28828045370155 0.682406104613794 0.151091720234704 0.84325913770855 2.67987515972068 0.65807798513465 6.98662385438392 1.30477058175205 2.34318573117474 0.339530858491169 0.684711561493953 0.74449328066795 1.58817951093687 0.555552589634997 3.30870011428941 1.66581060833294 0.742055762272413 0.567550518798044 3.92357642252379 5.30110938697466 2.22329986604186 8.56069736909578 0.997625702542676 0.996928867312597 3.42034407644395 1.73240824710114 1.45767112327451 0.235790216068093 0.688315154972081 1.53670994022812 0.598667162131501 2.52444718557945 0.594952580784066 1.04402916873598 0.665379301043356 0.414122433668943 2.96676194296207 0.422809693034247 0.767013281314209 2.61556892873525 3.56587235411593 0.494711568518502 0.484726875010098 5.8940051799022 0.93922009245711 2.09088642077468 0.560243583250385 18.7529606716593 1.45311781081345 2.69111865235438 0.366879533907145 2.21200930893193 1.07463582983452 6.15346180296282 1.30724041307156 1.2656129375328 0.627715075875663 0.62836906135873 8.97292106725373 1.82755997384058 1.92063032680308 0.309174271326003 0.805755072250996 1.47593073514009 0.459003680161059 0.374650792123233 0.852900330785998 0.784519861560194 0.68489490221477 4.60610615919454 4.72867680683685 0.431415467634743 1.21886175617932 2.90409945637018 0.44202885825093 0.716905068141635 0.570321000801501 1.71012637865549 0.39598364404083 2.015945725527 4.5386452033923 1.25976710811272 1.72910741167157 1.22368200149061 1.20753748123567 2.18796919594908 1.91989626146494 0.13793263317315 1.11654007259169 3.28000764270898 0.800823839070399 0.61975907202902 0.865855003480664 0.325422052446685 0.954747154882167 0.296545537690567 3.75885707782989 0.0547956945136167 0.149424794830494 0.327342564058616 1.01035418476951 1.67906312189208 0.4125447200331 0.719219656935091 5.29699089407753 4.81773614249719 0.48262372513222 3.76551143280422 2.99377695231526 0.293593119876031 0.487415169793879 0.0980001812333562 2.14091104181784 5.15607633998535 0.472581430324555 1.56994308008196 1.49175353106501 4.14223938397518 0.933746564117622 0.30682104751475 1.78563184761787 0.107623812939078 1.58076931452347 7.44090774027996 0.542340116003397 0.565954541335606 0.622325842120458 0.310449226913294 1.77525799411202 N-acetyl-3-methylhistidine* 1.05368505635628 1.53921774444581 0.38123194753111 3.73725016106965 0.386364458986962 0.381818313437914 0.185204757526839 0.391055386241395 1.60478213972882 0.895156328046388 1.10370713556635 1 1.89343342575232 0.327959519035175 1.25019002598832 0.25540216738213 1.09305120205011 2.08072288459647 3.17044133215321 0.625269722265609 0.698287082834383 0.67077396551026 0.888414524797094 0.387555462996708 5.01803162041617 0.962264914990484 0.659585914857431 1.86791852507477 0.593730295089175 0.843662322185777 31.8059850864558 0.599387954623025 1.50315567819603 0.488525595413709 0.67340032279898 0.80489173507344 1.23148389186813 1.99738521256718 0.482208454093704 2.54544928642914 0.713617141898498 0.403787970820823 1.14823877868601 0.419453555705964 0.686069315006682 2.38900169498389 0.643735212277931 0.953668512058682 0.316400849227423 3.88717076528812 5.91445248549429 0.479639946084472 0.356675517606428 6.18146161989552 7.1745717707086 0.570729421565055 1.41027287505134 0.563417272637869 0.935677386138156 0.998848799338204 0.942468891549956 2.44358827510803 0.627433285318431 0.577034993029162 0.406287059694671 1.99847277902154 0.465536291745486 13.7835279961588 0.767856626345719 0.696389626467202 0.458848915036763 3.42699131682315 1.13258476365677 3.02698668888079 1.30206001284254 9.93501211942405 2.42191793501212 2.51036948334809 2.81786154353448 6.65419436200922 3.46724284549036 0.772634976831364 0.776534018268802 3.55295233797863 1.31300509652152 1.3669784742831 1.93460717446764 0.703042293608233 0.403012790475695 0.80162903571036 0.909980736189931 10.0964347489052 18.2158935110463 0.743201263428264 0.865355801993486 4.93098002464379 0.840318633831416 0.683975171089244 1.6527192053823 1.63338597617767 5.38476134279748 1.04902726436542 0.288887731903299 1.30123855307382 1.22315359562197 0.391570202993122 0.789006322926248 1.38071189323337 1.55476880535453 3.66955334571308 0.619079849360476 1.22668240167069 0.494981575004483 1.58146046290993 0.767648368939565 34.8361997651319 4.91548798759712 0.595500483041484 0.50364739707167 0.621683066937401 1.41377854138827 1.0011512006618 2.97937673186281 1.62275327860792 0.932727072884307 0.825011714479096 2.69423763327028 0.621347541116375 1.14852802508345 2.6189757206574 1.73720229314544 cinnamoylglycine 3.17732895613687 0.389615646134657 0.188894035321842 0.277040294876496 6.35050708358983 4.63439768529064 1.87739983013949 0.164483572388437 0.342418810315936 4.37446622222937 1 1.66611909372727 0.81410943047616 2.0862545926269 0.529892825298547 0.166075485469983 5.70652997665476 8.21204451598645 0.441435803988081 22.3449163478352 0.376642256306514 3.98570984707427 0.158126064504131 0.156905924482858 12.0699017764604 19.6662871683453 0.124388512540454 10.749329263176 0.119947928596862 4.53601114001447 10.2752527027916 0.274125547418769 4.4866567029458 0.0873261924147206 6.28317680917509 0.957893829674803 3.14554365402454 0.484227762494529 5.1739062397235 3.40128772398528 2.80564847720629 0.776879934139654 0.449029671174532 0.215815101160494 0.715535013255982 0.105923122106987 0.17125050744671 8.13462816346248 0.701335577060461 3.27692642646389 1.00573329734903 0.172851657734849 0.366037470545412 17.016843828881 0.608242068522882 7.97431355784212 0.276665615864542 0.235840819353507 7.10439908103952 0.382636364254887 0.414273823914291 0.171903667904194 0.503105914050434 10.0003583310843 1.0090421900833 2.38396990018892 1.0996364527037 0.253650781411235 0.99426670265097 0.987809939378545 0.638335075850526 0.788434977649666 0.184681119353734 1.27221142441142 4.22694604395679 0.821453599526459 0.145806732542132 0.196340487103483 0.203847296528044 1.02574767595077 1.83915696942619 0.0583104462582751 0.225630651368802 3.97429541449608 1.10077041183128 0.601426974166143 0.328668981455232 2.24698990549585 0.451934874459385 0.721084609226345 0.239866374256406 1.74670301383657 0.241063835095128 13.7062524238376 0.173919847233026 0.401548534584619 0.740865392247802 0.647050685705084 1.21304824088921 1.22958136496928 0.208455706422518 0.350128023985504 2.51483105142958 0.20223934248514 0.686063415530251 0.377302220518764 0.265384990463404 0.425817527833027 9.98742439327517 2.80912292797318 2.93289229882998 0.332953079039219 3.07388650883468 1.67619116736556 7.44840372573611 9.93495383652392 0.191416836571543 0.454298045281256 24.5576039897218 10.2151642086213 1.29260454536177 42.5010330367652 0.495739715557692 8.30811257039051 3.104278881372 0.924705113928874 1.80895963785881 5.27909909215232 0.640290021386469 0.161539281478138 3.02704719311097 14.857118882007 0.338269079429301 0.202112339062851 0.226122789630171 13.6057405546875 0.872774321722348 0.292522900304581 0.199905654600586 4.19592319014453 1.47479322255309 0.781252480535592 2.26427144260012 2.50801595707284 5.83388859531947 1.46784658893755 0.609729822898264 0.979965210133966 1.03960238857151 0.346374619273223 13.193038398124 0.559193800418658 1.15411411711076 0.147804768524923 0.101099259978273 0.516318805804964 1.98291123594741 3.59660764787394 3.61216103126779 9.93364751560895 1.05376327015669 0.291599857574734 0.288424772017517 3.77643995799815 1.66086003996072 0.575792694128133 4.40695298378665 1.23239585152393 0.911533044702937 2.54745959136649 57.2870368060454 4.84284460450908 16.1326369312345 1.57825565335323 12.3716845870008 7.41140263940327 7.34706179850454 0.19629512873838 2.38993679311823 0.283412672673626 44.2538412865447 0.618307089739257 5.67948418467205 6.61762898218097 0.724622561704386 1.27320250468892 0.484357033835072 (12 or 13)-methylmyristate (a15:0 or i15:0) 1.80031019767869 0.372049430778486 0.649666273366324 1.35033372663368 1.65903395785441 0.555693917705533 1.39253542164758 0.798456614520153 0.885932058220475 0.290300510832376 0.979299288576586 1.12587988614772 0.714470427390798 0.697025294713935 0.316676967149384 2.8269375131312 0.933225076026764 0.836372614722585 1.58813372889232 2.18419601793051 0.844341814490096 0.708949956523273 1.02771468838612 0.452812606870703 0.326885180033524 0.600629454064192 0.995327018600678 0.426625163133576 0.254012012458728 0.278056099547137 1.98260394158323 0.927216546306932 0.437051334743196 1.14624206185504 1.17523536475211 0.926616536798794 0.901199137213165 1.07551493467756 3.61839376112797 0.399547865039651 0.364350693864031 0.887403902630534 1.9619381188916 0.583649568376547 0.620900190622829 0.416142441107054 0.709871249077941 1.38672453084241 0.852876901819275 0.219773706318158 0.309387714258986 0.277877438568995 0.426223751021741 0.49746615793017 0.659075172565035 0.601202050997358 1.8078894157556 3.59808756074857 1.2046751283982 0.632902106052543 1.99648448103203 0.678317074928727 1 0.525509797215956 0.925151018367575 1.09132413088719 0.93163668024899 3.02887847679631 0.780923109835862 2.38384659386296 0.778204855898036 0.526400801750724 1.99157187922211 0.357384640983448 2.20308500735347 1.21343277516474 1.71098711340601 0.990905926176977 0.721792076960708 1.67447969782524 1.37116396477082 1.02847514772119 1.09092041841941 0.865237097686915 0.919782754384862 1.40412442318575 0.341027960059687 5.88919089580461 3.21068078267311 2.05775791207426 0.7722925577351 3.15514635631287 0.29872422259471 0.744060289262092 1.71358670731651 0.655475115516208 1.19772076899366 1.26448745002477 1.12830867862954 0.760774292142138 0.801019211039255 0.994996917523038 0.716040036928381 1.66692973792812 2.54604814184915 0.866221266637324 0.748892953703036 1.47977967957575 1.9132436092278 0.492419560386644 1.52929790836302 1.35005474847141 1.12392515868622 1.09224676531615 0.794041464682635 1.63172969130757 0.572279675741827 0.335401672818841 3.84996733494563 6.73013220912383 1.39251816897801 1.70885008273614 0.352666035857948 0.664987087335314 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0.762689150706349 3.62349828406001 0.313581052929984 0.617364711339808 16.1233715750998 10.0813042002947 4.96296232663422 0.449640704931341 0.234664994394739 0.137447007735689 1 0.938337836154576 1.8610496656172 0.69972983072542 6.93935580305562 0.627998234621727 2.35981585405714 14.4572034266066 0.371482862350354 0.591346322528701 23.7920436100139 164.651908399766 0.387253082487115 0.111540144812724 0.705242767211977 18.8826743634205 27.1103158291276 58.9525545356003 0.143811850563315 17.2363335530823 1.00971881365103 0.141248728133593 0.320334904815457 0.32340400386315 4.85135551874607 0.936093675846264 1.40875708875088 4.17885719456278 0.577958255082387 0.736051942008432 0.355527979214333 4.30086773143352 0.701874514105483 0.174857393998822 1.32732439933743 123.588035314952 1.58795775649229 135.718677000408 0.614894548194273 5.87143392665555 5.77519126470148 0.119646850480216 0.323566507302498 0.218810881082568 0.22788522086618 34.148376719905 20.4157798226127 1.65288896029192 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3.19351475661173 1.03147134917593 4.48890139900345 5.30426456496742 0.141873323112304 0.423236872364891 1.60632953238789 0.257887600613262 0.340014373323112 0.0312456880030663 2.89008144883097 0.138612495208892 1.27691644308164 0.0217798965120736 0.851730068991951 0.448793599080107 2.86592851667306 0.821684074357992 0.0252362016098122 0.809622460712917 0.217479877347643 3.51248802223074 3.57125910310464 1.62557876581066 0.897436278267536 0.339842372556535 2.34413137217325 1.096314679954 9.03726092372557 1.79395026830203 1.52651686469912 0.536061230356458 2.08247556535071 1.63266864699118 2.9089071483327 2.96604973169797 1.28079963587581 1.34852385971637 3.60704101188195 4.82322729014948 1 0.9930375622844 0.441131180528938 2.45850086239939 omeprazole 4.29923104717458 0.0141821453405726 9.16610723172225 1 0.0247595347871714 1.21151832871783 1.07598150897691 0.128198508241031 0.0274949640074875 8.37977921049286 3.02140406279508 1.6368571541592 0.342854537345459 8.53314092233474 0.644997178153199 0.0389593016918096 0.0868416181487175 2.45232347151475 0.167172304170022 0.66815232597781 1.84240113948861 6.60848559076548 0.0312193790366828 0.233707496026918 1.94831536198904 0.180411581982576 10.7573697911713 0.381307748589001 2.81859405295409 5.79795033368452 0.190558151936445 0.047769382192199 0.696744624525276 4.03934400290368 0.16545352921087 7.47086794209915 4.05475016917493 1.35241499658329 0.924018491023085 8.55083174274179 0.129978279781656 0.267810624336247 5.41147659739327 hydrochlorothiazide 0.162134810999246 0.205395561799214 8.1985509508572 1 1.1394911418091 5.19289852208551 8.34281514454995 0.443402080798206 0.917367835338901 24.9622356966791 54.8992639895717 3.49836191744064 1.02217738440684 1.95743412134638 58.8978079161856 2.78636976636956 0.977822615593159 0.326098035340981 0.278324960911363 0.964357403613142 0.789226443679428 24.4848239017913 0.2903202321397 0.96954379834077 0.886727891085711 21.4741425634519 0.499467839845795 S-methylcysteine 1.68847516973398 2.60712242196507 0.47596396088646 2.27706563047099 2.25756864084718 0.811076476365344 0.488372688842393 0.988462359622529 1.03926726162518 0.850634100516675 1.65925103548401 1.70249797173235 1.73103890003843 0.732456552372006 1.24755967376916 0.855946026730433 0.594158589179726 0.902472351509458 1.1242666211196 0.57280840343311 1.43290490627269 1.10651180665272 0.596558350057646 0.390511977454204 1 0.918408130150732 0.592980058926513 1.16954609505103 1.46254750416329 1.16945215423374 1.41708868867159 0.722413424996798 0.91962082070114 0.387959520859149 0.882090733856533 1.24628826472073 1.14019688833815 1.71218275276516 0.703118546055349 0.489180320345128 1.28729519482308 1.88697278443251 1.05893455413282 1.21599201431915 0.503556840607646 1.30771834411859 0.677801872504475 0.859149111937216 0.565893340676488 1.25321836706595 0.762724310431869 0.661813300289137 0.620588370278581 0.846992748634632 0.801878241314425 1.09795653770251 1.7980861902795 0.560173711505806 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2.68332071228602 1.00796273348938 1.19611386479416 1.14817109550691 0.360893111202901 3.98294437560237 0.544712928541925 1.30081118913213 0.504239524530727 1.28677314241131 0.954908440038552 1.69846596906696 1.27696314654183 1.54358850796273 0.562135710679701 0.597336959016017 1.15530198724127 0.577590756803892 0.534019459360228 0.598765432098765 1.00392973518748 0.755249208316123 1.11532768828308 0.528948093074487 0.992823213548121 1.73073569232181 1.71027238514847 1.47358185322869 1.1224815273762 0.82071228601588 2.10489237688742 1.90210083069439 0.706841755013998 1.50247257790628 0.978297535453669 1.66329340492909 1.0069415760246 1.04852792693561 0.933544449033916 0.861392216255909 0.506821102391115 0.493018266097572 0.974459589701225 1.15790651246042 0.691386708889807 1.35634379732893 1.3332989122952 1.06949033916196 1.41079787966405 0.860003901050989 1.36043990086741 0.82486575795126 1.16705103492588 1.92210519069255 1.62128826472073 0.824068337234384 2.00361420900454 1.82951259809996 0.824464179172977 0.979502271788517 0.870863738583689 1.46844738170637 1.71387512047363 0.362883794575244 1.09719353802377 0.914555509660838 1.11461632016155 3.55098903116251 0.748020790307036 1.16650603515535 1.21862522373675 1.19972807379871 2.10666506035155 0.96812038184405 0.606647849832484 0.514743678002662 1.6828273440727 1.15196314654183 0.871856211850016 0.887821836706595 1.55022603148378 0.258972417274772 0.81584170911928 4.57161296984717 2.11938937078342 2.01125567947129 1.46655422460875 0.978555693239708 2.0240717793382 1.01808825554179 1.04505713892331 1.36373284684933 1.21442585708385 1.42797397769517 0.7700961494332 0.834761806416082 0.674531873881316 1.42120450686126 1.31313965762541 0.64810799027032 1.63923883610996 0.585903437514342 0.643524255358208 1.76471499380421 0.448649547937032 0.331715544540823 0.720644591307541 1.80450571389233 1.07884712469595 1.64043783560512 1.11198884758364 0.725297168295929 1.19783491670109 0.753551103767956 1.00470994538529 2.86660700353389 0.816507182523292 0.665639772362201 1.44852907430355 0.476622378264262 1.97270985359585 1.41592661434669 0.618884528890725 1.53042246087475 1.26867341319014 0.896014043783561 0.85814516499151 3.31277823672495 0.569266602414062 0.507079260177154 0.77611983110744 0.439654183303502 1.16414245720318 0.819817339024278 0.547776400936252 0.716841066593235 0.946894074991968 0.520239570425444 1.12354857955849 1.55394924044243 0.847193538023774 0.850905273303043 0.485147322043233 1.08500275368305 1.08675822662812 1.27229335903438 0.650242094634908 0.725136536784616 1.90975377484052 0.647167148561201 0.627897104043325 0.721229748955895 0.612545321033549 0.55985244848318 1.54559066501446 0.380122997842948 0.571888338152279 1.00845610170269 0.851570746707054 0.952315388498784 1.0679012345679 0.478182798659874 androsterone glucuronide 0.485933266250378 1 2.63294251917056 0.194812494291573 3.58007136606451 3.91041224792174 1.79362857640236 0.302333097319987 3.7130939007854 1.16052134229403 1.96040830569219 0.0534285297201173 1.03308818650415 0.479077690025222 12.9965128832842 5.42148600976892 4.69192686032251 0.287850673028358 0.390958320875628 2.21035658832429 0.428399353318225 0.188362069974965 5.9106113109982 1.10402333799896 0.0624917544951175 0.123347288565739 0.737944779121952 38.8855863500497 0.404023103807101 0.320753847967332 0.658669275043501 17.1787133655633 0.66920166338668 1.80404180123657 0.218312423378644 0.0699813774643619 1.1715162105115 1.48775746032567 0.310337769561742 1.32293688806154 0.223739028827226 0.0905315214963527 0.0905932854016701 15.7902770685701 1.09313781466376 9.53586148797866 1.03503521619881 0.418026729407304 0.221070253569559 0.476874803845737 20.5981417682719 0.258111360321287 0.123013590213725 5.41213545829895 2.15356661416735 0.487607359672048 1.63090895641264 2.4093596734844 0.186111883159928 3.4886566278775 0.15763872280862 3.74686853409116 3.53334209518967 0.281743954139582 0.419124116004105 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0.938493923078083 1.62816692629053 4.08215892140112 0.756074946908178 5.71069930386333 0.782084732896246 1.22194859375797 0.963661996309966 0.579321013588777 0.0832965263548739 0.617259851522444 0.492618854222102 0.296495472921196 0.347457876657481 0.905668561956738 2.62501193982472 0.0351034437686324 0.765960044498739 1.47453998458775 16.7360864235036 2.62327393225649 0.194846448467717 0.439356822290162 1.60651365018217 0.595014791018954 6.29233574571657 0.114559117034701 1.97596234987241 7.4463799528727 0.475515997928755 0.622393437513242 0.126288513565436 2.20651264472324 0.242131745282782 77.6673309877413 0.303329720863057 6.3096339483151 0.222207858523311 16.56743361637 8.75709333316097 0.580096653329972 0.0944398839700402 3.52724614137183 0.552458023885395 1.34262377378898 0.0565168461051753 3.07339921962024 1.37212393861242 0.197625824206998 9.64900721704052 0.729594031595829 0.0584789273764201 0.160288825257703 0.646760016345889 12.6731633676841 2.93268524323847 0.76211488230026 6.93627760433611 0.470958396264289 5.29278748404732 9.16106518318384 1.22023356810799 3.37250314026367 2.94178033738892 5.68062890019312 11.4473423206997 3.47558422549858 0.250840455932531 0.436077589828778 3.63799025997577 4.13860538538163 0.39624705274853 0.225132307621594 3.44039459953648 0.595042082046885 2.86393339840089 0.319768974266715 0.424273502063705 59.201662741786 1.75622217482202 17.5044136055829 0.709601199081585 2.32502608806815 0.475984254513254 0.0548032568250911 1.54630389708697 0.377871572731667 2.67128315949667 3.19394512636105 8.06051857262179 0.465299098893349 1.80217021126847 2.50451056055053 0.287888744533715 59.0146689275129 0.302875827977469 0.293367059298376 17.5810812848903 6.03791011053585 3.35084986415532 0.0978311532829311 7.3358886353696 1.21632233289452 0.961547659830264 2.21006047835427 3.99696925952978 0.0712611830373334 0.183697345372986 7.5250556772879 1.31309775430749 1.33604089057806 0.155232803241025 0.481601897157352 0.753591463366463 0.279763200059753 22.7972140169592 2.33365148926421 1.27467773246031 0.183612599549411 0.286348956010454 0.27166207387394 5.03054512391922 0.802558749324008 8.22479476069719 0.129126780470253 3.95242886557661 0.603121662684331 1.09254459389873 7.59241280696122 0.752459603892275 11.0981047817472 1.53446102733484 0.108829437539096 0.882354842254268 40.045228415131 cis-4-decenoate (10:1n6)* 0.861402551977389 2.15618322257784 1.8026020532735 2.63805112877587 1.76824437247914 5.5779803465673 0.902800058511995 4.7261376378405 0.604567883242073 0.290578568440782 7.00026525077013 1.16782316182703 0.421623805188586 0.915618619684744 13.9524014117506 0.555503250471084 23.1493675486097 2.99800102044486 1.08438138031526 0.670273824778207 0.736493503789625 1.67766218083721 0.494372276346418 0.379006307344256 2.44913633970701 0.433211018749525 3.51675689969708 0.481094596103653 0.550959107308132 0.883085518092076 1.57286946985267 0.68081085078441 0.835579943364499 0.514331788425603 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1.60966807830433 2.48012229617241 7.02216217741487 4.40042616052097 0.375242422647824 0.572264637447064 1.66310058471237 0.228601411027552 7.7214109055301 42.201422619606 1.03812718161317 1.51296822938235 0.582959832769365 0.6923346778591 0.811886889005318 0.958013884535513 6.0677387791584 0.626430036232796 10.5150708144867 0.528201866473262 0.953133019585233 1.28899448843578 0.520487049311226 1.02193796268121 1.1807483433658 2.09723064298532 0.603944501514975 0.298530478332392 0.418380879821665 1.64792033208185 1.21286138419805 2.38073263308174 1.55122048315987 1.13074616985563 6.59930310400132 0.272538347201854 1.95285847093178 0.378170941617991 1.2353331914832 1.27971626921936 0.807672567174811 1.1425342213457 1.19156708558215 1.0922941056692 0.812305575701834 0.717752544722832 0.879224522075618 4.70749357670546 0.859792578492316 1.00041258561533 0.708217317461371 2.45972790703173 1.98678582078227 1.25608678177882 0.522787156919046 3.54782828201943 1.71851823041191 3.08177431643105 2.37533088832505 20.5766185215097 1.48939670221309 3.53198987525577 1.33166926343935 1.04751827083157 0.548460506557518 4.44636272605459 0.334065463075875 0.301198938716927 1.90926090739855 1.46623318484827 19.0803443755277 1.44886111880102 0.559472195466439 0.989486311843038 0.514865665631771 1.13440071748715 0.618998156710846 1.92306002777517 0.727470804419928 0.730670058867807 0.906458985863032 5.0120008266965 8.92066382813864 0.565332283947369 2.41069580543042 0.943961569289598 0.257925495121804 0.291351793679738 0.60201350931902 0.942218947975318 0.0565402446381029 3.27808651790706 2.41181764173384 2.18763798929718 0.808734917936645 1.18074605546035 1.37175184157323 3.76347557241488 1.14175023241306 6.26149920342759 0.94941898641213 1.07630851032189 3.29380137777666 3.54738366572786 1.14798553738704 0.205145804400862 0.819905997591598 0.790175428963205 1.74591208494535 0.983411160250236 3.00452852751168 0.102302929357869 0.312061151136746 0.843391346989078 1.84205292230349 0.595899463333646 1.00196912395338 1.2574518986946 5.99077669051427 9.70922857166826 0.44148262373946 2.85281141634312 6.20627145388002 1.02080773739116 0.262491391755762 0.96879144445385 1.58200272565802 3.79119507215673 1.1250843665133 2.3975258590513 2.50394396767037 16.5701292590313 0.578136165455221 0.674334200449497 1.19514155652309 0.232904198535283 1.02683484296961 2.77079076875911 1.07663263025999 0.543519393430508 1.78651554288564 0.513473093850644 1.60982441850977 atorvastatin 1.74369790484767 0.256302095152331 7.84424216549004 0.0239136537845758 0.231316546574997 0.0993681063180676 1.68938934327675 0.0225436255805397 1 0.730955257523475 0.509206062239065 2.58251905676613 2.05468994909504 0.892564167195418 0.103956795971642 0.943358452628255 0.257603439634017 0.681952061839242 0.442287333443429 3.06872951995202 0.513349152404876 0.24843764939027 0.0832604670972004 1.00452031417951 2.3621901012015 20.1686707054553 24.414349578303 1.47513305693417 3.91693944424647 0.121463235144994 4.13343415818492 0.695154902318682 1.61354935347513 1.06502913200812 23.6189823063975 0.282115467633195 7.11775067868453 1.42392851865694 0.171890147268023 6.31411866621469 0.114775186656352 0.143312675827821 5.87681752729949 1.77998163133451 0.167689111785208 2.87740799007976 1.28543051921901 0.398121992275889 4.54903883205419 celecoxib 0.0766594768819873 8.74357026994903 0.152331377991568 1.84766862200843 gabapentin 13.7981706617227 2.26107537867658 0.0737926318727612 1.78923375256316 1.35969186126719 3.53056698847419 0.2808786346168 0.206926622068366 0.0794849023550151 8.74078295860418 0.0179849708162599 0.640308138732806 0.531540441820854 1.76894911088905 0.77310604280134 0.0102507075227194 0.2005155228792 0.21535643144058 0.380230880406599 0.562699124588538 4.95963225785659 8.27277916288053 1.03439582093783 2.49410881444107 0.919571627780823 10.0683000027845 6.53003678606694 1.0602576932466 0.0158595821603528 0.785721911037517 0.0108327835272328 1.21141544404322 0.0355222232478234 7.34272399717519 0.498976496063194 19.0476785193415 1.51788065233753 2.442668557886 0.383255889622803 5.98157830923401 1.08673378969066 0.449583815656773 5.69272167130663 2.66011542964962 0.432472729495642 2.67946649365127 0.641527964936456 0.0711550165818597 0.152652963607098 0.477987501034058 7.77253882313 0.0129975866982725 3.1678717750696 0.460390133803605 8.41223937790444 1.57681694375352 0.681214670036375 2.57296460726228 1.53880892311961 1.3944587825649 0.413158522189395 0.706469137510301 0.0259467888360583 4.12340400969997 0.0452549886633189 2.28707063066109 2.66094868322149 7.20479974840029 0.965604179062166 11.9902649614844 6.82959923864134 0.53801488052545 0.863014947500722 0.159081290851364 13.8805813843326 2.62209393277907 0.0251240889434866 0.964482241770342 0.00859313041530595 1.89696020751456 pantoprazole 0.460775108858356 0.00530999079017648 0.875598308821428 3.92427978190962 2.49978747617865 2.94053003743277 1.00280023145452 2.31799003844387 2.67485866547679 0.0338805833181302 0.239623397347835 1.29338406612609 1.44759810989803 1 0.00931469791119444 0.250892682476497 0.244978942694676 2.31578709921332 0.211514642300565 1.01631701899752 0.256181548852833 3.73060618309168 0.0234811212107448 0.0546829903936251 0.751592402831833 2.62449866137849 0.314933779968534 1.81616906054625 1.32686789399352 0.0359339331016979 0.00889766929024599 2.28747307472419 2.09137887118818 0.0452708396699607 0.0480848484221247 0.00619838583462653 0.260134837679805 0.00613337611095811 2.09169253543864 2.58408898512577 2.40203193717669 0.0189157980336475 3.19136118133707 1.02249363270771 0.902489132624244 0.0832871921453228 0.931675662042198 1.90430242860765 0.0952119916874949 2.3689561320441 0.0415793529730928 2.76689050173822 6.92635486914589 5.47559764577405 0.716326314314731 0.154903490650348 0.0661326363187017 3.49695552487781 1.03963212775944 0.232620660404498 0.777395245129014 1.20644868860323 0.892771443865579 0.0131549629040181 0.151900585719978 4.81583715064221 1.15350306007592 0.0342521898138273 1.40366388822927 1.22315354273287 0.873982407126844 0.0173693255681978 2.54140891327009 0.111073865956926 1.28528650946656 0.103124089034956 1.28926682179305 1 0.0163326581291574 7.56211466358331 3.21661991217938 2.97450269573782 0.348283998197667 1.91388266166521 0.899111770152296 0.0225308139765539 0.636170819948556 0.0652977826739504 1.27962709870534 0.36379575524069 1.62754626049389 2.49536133006215 0.232439238811265 1.37810609732561 0.222476575321489 1.17224138463045 5.92919390817492 1.21165375959167 4.13990012037915 0.187997119793257 0.725120527682701 2.71879135577664 0.153647108744287 4.45137090596378 0.00475019457877935 1.74980977181242 3.46840065538694 3.07204583798818 0.581003553111047 0.0273464782534616 2.53376287281649 1.29525327439527 0.474664089276443 0.185178357971674 6.73672096856822 1.32719600910826 0.854086403519111 3.07883126622728 0.730000128409537 1.4626973170648 1.78287361760905 2.15351015134885 2.8152513348363 0.00773029244217882 1.48499944707237 2.19855096545764 3.61823051275078 0.792240997485281 1.57186662043923 0.0643782170661641 1.49098394478313 0.0444945561064389 9.84176203949609 0.539692250254471 2.46961839943837 1.33522743149687 3.44751804489389 0.0134872561201039 0.0132207009205814 0.0859226924758336 0.148538824048461 0.0120391031954617 17.6694076544733 1.53456123515409 0.336447590414209 0.863893327323 0.518194385590074 0.415585544612635 1.11750948361926 1.16231417750529 0.210159609221031 4.28869653012517 0.0794276997769699 0.579699218867539 0.0570771191262939 2.11515211451218 leukotriene B5 0.999794317843939 0.872007084844422 5.60364515671808 1.00020568215606 2.01735403227611 0.782824154545096 3.97861545003362 0.517722235306781 0.448165432396112 9.0589732304141 0.503526969406644 0.532147694708001 0.49544035697044 1.2673026117371 0.533415890385265 7.96831642228145 0.649241587013676 1.5550721965682 0.32674049199598 2.09824147085122 2.59622887628272 0.964165479287381 2.47974670189196 1.91734774458326 1.09673988454091 0.862920835815551 1.60996055804873 1.14428763104245 0.605698781146726 0.995525080967367 0.291233144453882 1.19676535502552 0.426525901117207 1.88854818938391 1.5036826977813 0.526145582683463 0.834741338064322 0.297423683116865 0.853554702642672 0.261434872650949 1.60309982223868 1.56026597843815 0.23769029018052 0.826153615120539 2.91347319086817 1.14561411473813 1.60414753142255 0.42846067074342 1.80940074527047 0.536664582889512 2.68522276043431 0.0858283363425869 0.712051100269261 2.0758506525482 7.04719929873332 0.514529980198296 0.605073007868296 0.955908905178827 0.317871474022051 0.258658443313695 1.16867070151115 0.81729348778895 0.17784164923395 1.69522838314026 0.497445335773332 5.38987703386545 0.512060878888311 0.103363495716616 13.1926073639986 3.47042491592134 1 0.526180506322925 0.929813961772584 0.466422666838957 2.35755520554308 0.311679512745382 5.11928867531143 0.212237941740385 1.29875776614433 0.742790887723992 0.800069148806135 0.755813912879489 0.459259828385236 0.809732519845358 1.65120364323407 0.33106911737486 0.45895948508586 0.693670788820245 2.55576082894751 1.54386932971059 0.264595462022288 1.6623931773178 0.425073077715575 1.05811642842924 0.250297724026416 7.52728060096599 0.834797215887462 0.428181281627721 0.868610283614876 0.30838272118014 1.83532456284334 1.12799863099333 2.5563196071789 0.630204058825378 1.31475279301807 0.835111528642623 1.25183087179881 1.5196288315598 0.679886428324469 1.48452358917228 0.542685418332815 2.80341832583057 0.123217584750942 7.48321046032849 1.66804731454674 0.965013497986652 9.70988234225865 3.46011196518812 7.3233824243292 0.523994286492584 9.440243906698 0.592944027883034 0.864705820722989 0.610182336321633 0.64060082629331 0.307345489088109 1.21851371975176 0.827693747620827 0.79401338972337 0.629788467515777 0.383248527095506 0.285713786805151 1.54179137316258 0.469628656941597 0.985489227803408 1.14648022099679 0.473368978728011 4.89228851117033 0.767935908136859 1.91320777120825 2.17813500780543 2.34643551873828 2.59976810703397 0.805342618364945 4.39957532854414 0.353605341919892 0.35276368220885 7.21910392925868 3.30627333335662 3.6726746967755 0.260918002786906 3.35400347140976 0.334802454433381 0.651793852740982 0.402033952762285 1.52837720324511 0.472722891397958 0.616000614656055 8.10369527029151 6.02408334177321 0.674588512218035 2.329176256116 1.70540513167958 0.188671469831214 0.53234802105197 0.634677777040501 0.739295031413814 1.01820220088776 1.93284533367791 5.98797229856918 1.14992369184778 0.593953321063495 1.04708405072309 3.36677853872508 1.77533273497498 2.38496677015705 1.13220692954854 2.31998435420952 0.248782038073752 0.436741065659935 0.529746209912027 1.08537083666563 1.4545660912415 1.65526875486748 0.656222170224804 2.30692989777851 1.05567177366688 0.31710315395388 4.24082294064029 1.25013358292094 3.09705279406578 9.42867370494414 4.49562581415734 0.228631098103996 1.06611394186611 1.07215573149309 3.8494546673698 0.795340488022938 3.57816783602653 2.5210572084138 0.858925958391976 3.02048969927254 0.783215000401622 0.378404618302083 5.11101875748676 7.4312545619004 0.524605450183175 3.76068576058448 0.484708684461425 3.89858873572933 5.96737084365036 3.28316086876046 0.588075672541987 0.180073269795592 0.96401468189803 0.699887196644537 1.09043127202372 0.528415619248513 0.692273843241752 3.65072169700949 0.381341696380863 9.74115296903321 0.507423019567715 0.724731873758028 0.548377971565173 5.46754720802964 1.00525251537513 1.61852559378918 1.61083191601563 1.46599310607357 1.06881353919655 0.882415598294329 2.11191629502094 4.02787604901882 3.01851302127897 0.610465217801278 1.50931238846263 glycoursodeoxycholate 0.370386533162008 0.511377707379841 5.01077025579414 3.7891761376136 0.0918455124457985 27.8717944919002 0.168413595062806 86.5858078118364 4.07821399356541 0.716920826565164 16.4187132801578 1.397555736938 1.06930829537322 0.0857840166153498 7.63675607384241 0.751765560503166 16.9956355972915 0.550981036555745 2.50777026207967 0.930691704626779 795.16266592677 0.0873356446125375 2.38576408250566 0.406512168337271 0.162621928059414 0.0773263869246607 4.38812789078263 0.328688775569761 0.154811707967089 3.25224460768864 3.18708117043754 0.510263821656165 0.281088905231267 0.645708913510208 2.47299017930822 8.02827949776819 0.602856626838148 0.156430452182014 1.12824022585337 17.3728774441308 0.616021520707978 2.41916255548902 0.168941359873005 0.56389273866218 0.678995827035865 0.990593625535879 0.131470233172689 4.58528417030256 1.5871286394616 13.8118778338609 5.45634433132765 18.0628389463979 0.196919801142575 1.02284502999021 0.654423437039572 0.158951340766723 1.64614861075465 0.662563283618977 1.52813680478322 4.36263533616601 11.5150228609994 1.92884402239522 0.445770667579206 0.811431830495908 0.48165321622418 0.574880466915714 0.620964439501526 0.0960568815885781 0.866350700088402 0.028833946445376 14.2224587218753 3.46685982072414 0.725793861275083 0.642405300329845 1.52922348646876 4.76612351593616 0.0585416488436422 0.612759954753282 38.9590129371394 9.91296128363799 0.521387439282897 0.0865459453807473 3.33172194180664 0.523259664832083 0.710848756190531 0.658702483816694 0.283898442030019 1.6102394463931 3.20023954144923 2.79921217478921 1.20102812710906 3.54282791988669 2.14498645450138 2.16145473902339 1.41057670554462 0.757287098031388 0.200701514244161 3.86201043716315 6.42799669204665 0.0259769393827055 0.686306784156044 0.510070436592808 9.18043744831323 1193.14275111453 0.300136310491345 0.041394283324303 0.563502628302012 5.87674946055646 1.92063345405462 0.291051225748805 0.482327734527238 7.78914497010485 2.80071938479672 1.29578007813614 5.26346327506393 12.6161431925552 3.49260710449521 1.98945789488693 0.573372496459159 0.549355234265834 1.53460214256519 0.151207688139847 5.79105141586107 0.105734356137299 0.202711381070522 0.595633121358162 0.035798138800962 2.01477172270226 1.73048469121016 20.7692071368143 5.32909306945752 0.268640792387905 2.57861046948223 1.77008659613502 0.984175435594719 2.87309892491516 0.717618273590555 0.482425072005019 0.283915932358058 0.426239294303286 0.037732721171852 1.02645107936236 0.498484995389778 0.176002889706372 3.09181927928442 0.229749907320273 4.56990332791513 2.90175112403875 1.38301651124989 5.72937823784945 2.31929050104086 0.399808366840619 7.11790496288058 1.97917434244922 1708.9723436089 1185.43744641211 6.21881845229608 2.64339844678283 0.0625689869868157 2.35557304588359 3.00992043801865 0.653076681780591 451.253359188601 0.402969553521354 6.89921122422791 2.0691020047338 0.051236775315824 0.0396749080331936 0.912740373190369 0.235052518512182 1.99819545441583 5.06509253714318 2.04311670041159 0.299950760924326 0.0610153895875515 2.13529301052271 0.0563180958355909 3.73949297059914 1.10313095883119 0.266253742835144 0.707679965019344 2.11450765677132 2.35021035921712 1.29102346935866 3.51357192422125 0.812831056739004 0.195820952272317 0.881368047832245 1.22420889535271 0.0766464197108393 0.888525394245302 1.42313628197451 0.322933812416232 0.379447343656429 0.0503082670316822 0.169313219456089 1.02650431079553 5.29534966397658 32.1318907614947 2.00998013326869 0.470159789355615 0.843037613710896 4.50439672626686 9.04785619908556 3.67627988327107 0.664966302601686 2.2882238761989 1.13530175568673 2.7359983270121 0.422783053393029 7.86661419568255 1.97417286907919 9.25353713367744 16.5036005361166 0.595324379045827 0.111723652816988 0.0285913631999696 0.127606391574225 0.033811845895001 0.145600136880828 0.354747958669594 0.447188905048431 0.476395471525936 1.00454178192223 7.57350899706277 4.23760610640583 1.05584395585593 0.0596519044495775 1.79540954933889 0.280181367097271 0.189214931417002 0.335165635307649 0.234899668254104 0.693629148011901 23.0230997804203 78.315352135436 0.176565621999791 0.814733700249998 0.995458218077775 0.108986036254408 0.614747768557333 0.21543977718843 1151.05287820458 1.0057486145569 0.417487286242526 0.618706666286442 2.13859183848062 0.0937998688225397 0.459813119647152 0.198141842758149 8.74615716580641 1.12171329169875 2.1500601705307 0.197985190254846 3.60137413142461 4.31290957310292 3.14035722093896 1.68483873727436 0.829425575802511 2020.21356907254 0.394358988982995 10.6656142051882 2.91295862206633 2.04256841665003 3.69231014914307 1.73215387686429 2.20730677465043 4.99980950751419 0.242627351451032 0.507382249218163 5.2652898736704 0.184245396906874 0.797993935418865 0.203042936854212 2.73239836123231 0.436503075065826 5.71572665659072 0.0808433379910837 0.53737588045741 0.041809488502961 0.128490033364702 0.0266499367876731 tauroursodeoxycholate 2.98734416703267 1.04433933578837 8.57947903645393 154.203834589006 0.553495050508463 0.284587317139093 5.43097064090003 0.313240312172709 0.0933781546673874 34.1768911111862 0.374816716780972 25.3005236663401 0.976370823338626 0.744420419608771 395.1543565661 0.136656643805534 0.866620493935606 0.280229061792628 0.201922362241968 3.3759181053414 0.680675022804825 3.84240008108382 12.328335416737 0.479722287915132 1.02362917666137 8.73562620358796 2.22538460072059 0.302476313933317 67.7187410641097 0.519739977505385 0.761328326057533 0.34783918256858 1.34352707932211 2.83735249823665 1.09855310063481 27.5831252263759 0.724684980078922 9.14187239072002 0.114951293440342 0.21398860018682 0.199363288026384 0.521436605219513 0.149383304420764 0.764591951503136 0.991127971481404 2.7225575233048 5.24642278437577 0.90339516175153 0.239579083821034 0.122496520960024 1.05738795584955 0.483100444173323 1.67488800350764 5.61826638961435 0.132763978115409 0.138017805059382 0.600468955525478 18.1096707779705 19.9286272566102 27.4376231961416 1.98036868292125 0.780902453438054 0.594364908401167 0.666545932859294 1.02707741578817 2.49385210744038 0.424153115885392 0.31601883447395 0.0945498217587738 17.7218026192882 7.72088377146997 0.193884514936043 0.982980345807042 0.218266389614351 1.2522141944831 2.93434622643308 1.24607583353985 1.07192176449282 26.7389862172827 507.083737156147 0.466679375488495 0.812650361248261 0.309644089444688 0.349936138170311 0.206637817641116 1.44871799759803 1.28896810721162 2.03282688678346 25.7320281373315 1.70377642640639 1.08973063652134 0.849751224812704 0.284114608155251 0.157305983948758 11.8910612501668 0.485178336542311 0.626234820900928 4.46977143183941 2.18082620050708 1 0.374840345425777 0.576003202623101 0.507726328230741 0.314993232552376 1.41512095621175 0.225483729530854 0.377211811579008 0.234698896238824 0.550546161618087 2.50158796728749 0.29494252435328 4.33735440455992 0.511653354175801 10.3658501248642 1.17810015822483 1.02804582801151 1576.42219722821 1143.51111577101 0.595973845244677 1.6042358503155 0.362239548582649 0.503540042320377 0.207793049545342 364.783495053091 0.207270716968184 25.2191471109671 6.32953466648874 0.59389214022914 2.33846007205902 5.83741350058143 0.344083725718207 0.72872638542044 1.78941609318108 1.19077339535238 2.09618925977467 0.331566807099148 0.678681586823494 0.30058524124521 0.231389519034638 0.983716186590922 0.219490249156452 0.29357759688888 0.320830394418286 0.391284289989897 0.9319709476333 0.538929027584498 14.4615246773548 1.26504756276569 0.34636750100082 0.261696246449473 6.96070305202356 1.67317993785386 2.78268295937625 0.142627294736641 1.13622967382809 1.39099834149875 2.77739481861334 0.14301237203805 1.17280057952228 3.48668433192901 5.09544960634424 39.9533637074175 0.605147072840612 0.174230321978001 0.438454353089197 0.229433631355205 1.94223077949559 2.61396953695408 22.2431248451112 1.18995748899098 0.41259698419658 76.6784871418495 21.6088034008807 0.181855615075205 0.141636006634005 0.250162990639953 0.774901347770555 266.999763615914 0.846807861677183 10.5807156337572 4.77589263587319 1.41900985569133 0.685109708904436 0.360489543816841 2.28543759650762 1.03742875116762 1.37294164744457 853.049156451951 4.02014221171626 3.29277694111367 9.18930552643117 2.02602131269421 0.320140305392989 1.86505518805879 3.14212402539223 0.0934212783803877 5.90853842194559 0.201700440360676 2.66480355338658 0.515629944525993 9.22277675048135 3-(4-hydroxyphenyl)propionate 1.71288714226518 0.287112857734825 0.93082816147917 1.2550652885484 1 0.497577343172566 0.432189072820489 11.1496063915905 2.34631087438554 1.41169914473761 0.912238816476413 0.405052969954363 1.13708835364924 (14 or 15)-methylpalmitate (a17:0 or i17:0) 1.67537359325931 1.08066267689914 0.59025053391109 0.529489311105545 0.54197478175054 3.42357213490079 0.525099694299852 1.80421887920846 0.607214718362029 0.466250052176244 3.07037932242764 0.564586758162708 1.80624185178413 0.997512633050454 1.31382853567181 0.518423323299118 2.86319857487738 0.914007192084916 2.59872366689233 0.454726441037666 0.375042097094013 1.21464920657222 1.03330188239502 0.278359507056602 1.85804469738047 0.771572590542349 3.6359659652762 1.52412693506773 1.06894774254501 0.777547745856215 0.583592535554059 0.21459623555678 0.799238901880711 2.58587635838348 2.68110424790799 1.00248736694955 1.51661757915721 0.600569675284428 1.60712556187366 1.43992487321282 0.781944904697531 0.275213338269636 0.833916707345621 0.953520573404134 0.977357928359402 0.745650409689511 0.277456509256362 1.77649141038581 0.759427176202658 1.2733227239565 1.46808123831987 2.79693847982012 0.36233518367629 0.600040314008441 0.690254661160181 0.799289463021494 0.584311576805028 0.263639044870457 0.626160464654135 0.956146535538891 0.45071271943289 0.279205279512969 0.351601470580071 1.50103107812978 0.852649492398259 0.362290812263293 1.49565895892571 1.31731118070246 0.765248292830523 0.779879755947322 0.874165252474062 2.2700785132547 0.349552873398803 0.245611496992206 0.958690235137738 1.77655179678322 0.727958103314852 0.626384344230037 0.438567789024704 0.841138392146334 1.52877055833333 1.35281751558845 0.227623738920587 0.227415461571766 0.284328671149858 0.653085863575323 0.415584759191492 0.520827229254357 0.820169411705852 0.60506559322794 1.64266656837539 3.39697078633635 1.16465127237297 0.491110022303136 2.34682070880299 0.722011384631406 1.08441888339195 0.599263917470328 1.14981945684809 0.997677641519475 1.1636714277468 2.88809610129857 0.922017324209387 1.77404132414946 0.987006337331583 0.286793699201568 2.13677684116031 0.466902960607204 0.399947654115384 1.25278032821679 1.22580787495996 1.28422818537782 1.19566259738158 0.774956675442782 1.52357596605698 2.15906288896574 0.999058397340472 1.09852548428766 1.06202201024336 0.820923354245202 1.62385515305135 0.30685675985372 4.41917236335416 1.35217555411279 1.98767638694357 0.756701533172657 3.71818724988067 0.268912349969676 0.780560062578964 1.71571182034424 0.498063538666415 1.23047153748246 1.52715564527891 0.897626956983112 1.91268403482095 0.834071078587118 0.879444748933234 0.888169861033481 0.689436823786115 1.76233428799288 1.64435680964257 0.862946178033257 0.791497388866172 1.1285045857649 1.4360004590687 0.733285892381657 1.03900983974263 1.14950311963022 1.01762335526265 0.784693043002029 1.09697269121143 0.882697895831236 1.37346425638124 0.719740146146226 0.244549513657325 2.17292344521692 3.41925150957222 1.14018949812857 1.63318805032032 0.282058051800673 0.6785619889587 1.39705428714425 0.533761929538155 2.85038997622126 0.595876500612811 2.32533235581391 0.408565119103914 1.06117837553615 1.22808674945574 2.54763585912683 0.56307987632387 2.46158908146243 1.35613711641662 1.31047030581459 1.21348294108007 0.284375725485501 0.758253542009956 0.782242213802477 1.87261078773065 1.09415591136292 1.47034925729788 1.46633015662221 1.31745453132324 0.584862896770981 0.274342048821309 0.806393016674302 1.17449479173514 0.955387309705714 2.73885250283972 1.49004459244455 0.933029277021896 3.3291279277574 0.537035136442405 0.575232607845596 1.72357856230059 0.448512887965835 0.614083721756899 1.4816409770288 1.39432806625399 2.04688671489144 0.592890903016247 0.263959096904297 1.37739288065012 0.624211507092378 1.66566392088796 0.833976722261433 3.32658344391962 1.56137277391975 2.50969594829769 0.860828485274913 2.26115292491917 0.668765812862307 5.84180567628421 1.98266551295489 0.524332983638444 1.89166391374726 0.663768023280999 2.10822080313042 1.36581751408189 1.28764247273753 0.522083951497629 0.786014609421875 1.00094160265953 0.719497816317664 1.32346923113897 0.505401125725449 1.29685257470077 1.08306074667265 1.59757720527832 4.44401713512525 0.724593429386229 0.839718176724569 1.11099442920006 0.428199572544381 0.549524760497043 1.3981337301142 2.14690933192935 0.242412462580194 2.5668125646881 0.942925876976728 1.8084383324348 0.831720714521738 0.720302073975566 1.3334840860689 2.02041307886816 0.927985299895339 1.457169214057 0.560181453075446 1.46840545920275 1.68598933009919 1.7040662024784 0.760651125513911 0.250205114595778 1.03100692914304 1.16425395216692 0.541379324791334 1.41148461361405 1.88642478495498 0.666705534648594 1.26518471788274 0.284571578838683 1.29139596407121 1.29613111616331 0.638094434790853 0.524139194071913 2.34034879769259 1.34487544541933 0.592449500327327 1.75923860801635 5.90103895353964 1.01026863877441 0.462068705480123 0.643125203682844 1.0568196581292 2.70065618715705 1.19154018354617 0.848679509844892 1.36031005174924 1.15223107410127 1.21657346158997 0.309266684801848 1.03395021911326 0.166257373058392 0.748061531633897 1.63339215882011 1.07353273901369 0.790646654732889 0.844111607022992 0.392194791906431 0.952230706747247 eicosanedioate (C20-DC) 0.698841521474032 1.09271169169604 0.630910370345623 0.710387676862169 2.39186246095251 1.89717250221339 1.11616106777141 3.10755704692381 1.54510402920001 0.696118637555752 2.33190994437299 0.734980288325009 0.931058207908057 0.814109925997695 12.8979022935703 0.620629604263067 15.0288742629003 1.11535297262082 0.6989897766567 1.13774054925413 2.35777734159665 1.02958526134674 0.765036416484306 0.869734852914154 1.74473902911648 0.889248158294773 0.731165327497787 0.39521386332125 0.695453577334915 1.19725038838682 2.35903020229524 0.884231495247482 0.876856321935085 1.47357821191721 0.970414738653258 3.09245276715166 2.29381912690276 0.896176009147639 1.28000624145914 1.81644868289365 1.06821963597177 0.819219549420288 1.42447773493547 0.933506517570561 1.64181582575602 0.439793690518712 1.42477274140245 1.71102409910267 1.86782125533785 1.59680417787671 0.898132560302613 0.629813207268862 0.88834980452774 0.836600550272393 0.526981510896344 0.965937724378627 0.788765617361984 0.675917110496988 0.74344311556086 1.85186530638616 0.848294752907703 2.56405724100687 0.606803921879362 0.653439324362049 0.879465477538671 0.468303261771916 0.980154110403123 0.851217998807784 1.8077289256279 0.843073626056141 0.43693017733302 0.914729721657741 1.08506791853433 0.928482874386978 1.17884949915948 4.30748207104292 0.53330830248159 0.560787789170337 1.38486885012087 0.689747062430439 1.09314402532667 1.42034276825779 0.678790375962581 1.33706073598018 0.933473603625898 0.598448656074878 0.509209199813244 0.799260289569571 1.1401561096205 1.04480075482646 1.02361392674331 13.5992300575019 1.47863336425619 0.901778693950295 3.41237515557934 0.757758243419344 1.0297212920308 0.952034630345926 0.780456674887026 1.2112063448333 0.930862430682623 3.40037619419715 1.68891689960394 2.60408303578721 0.927347952813594 0.339412254471116 0.971846386963152 1.69799139605106 1.16707118311003 1.81853323272231 0.489419385825793 0.544956181787374 0.861834574514123 0.884618338430931 0.668828422044541 1.14412650657487 0.663453696784552 0.875737668546825 0.522326016278993 1.31378448192842 0.499703164980538 0.862424587448084 1.15093847408515 1.34226601537691 1.12314325733463 0.581427270544092 1.13375129979606 1.04449843414956 1.24629626694916 0.906729195034627 0.339079457919522 0.436212165725368 1.39925346297364 0.429779318096209 1.85085106927654 0.726669194132541 1.42211890223461 0.953436520581577 0.618878463430779 0.524177730425041 1.39370441571044 1.2261748754451 1.1067216370177 0.917342113636004 1.28306845734779 0.96662526011159 0.463001678611178 0.820707991140054 1.02104785809458 2.54725284370387 0.602231321641162 1.05703133285628 1.43560508630158 0.887535489156074 0.705778591551356 3.10994842262968 5.26156711823786 1.02498168399931 1.18890531877155 1.32163019110812 1.11401024720811 0.807168169533634 1.30563645207181 1.76312443543442 0.570854580097303 4.81824554046526 0.916706996407504 1.44140647380721 0.406421388700277 1.71017443171637 0.828590271369379 2.62455063322772 0.71612210342049 1.70061841644917 0.465504357440563 0.797657258560978 0.709227241531059 0.555302131726483 1.69223267477 1.03372947906978 1.11859991393613 0.905293171819324 0.585556142046833 0.460719645114534 0.871151658923763 1.40840719669495 1.42773133931717 0.864505480171786 1.02824747873089 1.14087290219317 0.770576396313151 1.00651330393834 1.80500682050076 0.769325666415952 1.99666715834411 0.904907956763267 0.961850300065462 1.54214508710615 1.26414172013151 1.29166996821976 0.392417114763611 1.14299889921141 1.80948433600993 0.706655077707385 1.9241138529917 1.41797662134701 7.92538530648368 0.745221687607656 0.845915196612058 0.891213317713432 0.612039677150774 1.03226663708475 7.78711016784893 1.1099459845597 0.479381851738527 2.00354373470873 1.56601257312686 5.54787820865247 0.775836532284313 0.692165627845685 1.07447572352774 0.414139099206286 0.647992676037795 0.640433440080164 0.730771246865556 0.893065031859479 0.553076173839265 0.635795011952638 0.994526532906021 8.54061885530177 0.999519700214916 0.321271794821783 1.0720766626723 0.503966130331907 1.21253021682975 1.85773252178111 0.95373030801357 0.969698447315136 3.27523981465792 0.935744665807653 1.16860594815932 0.961744244021548 1.51127180701213 0.539827701594864 1.86003405983755 0.817330045189627 3.51332344289614 1.17648335224869 0.472365086350343 0.972607064795367 1.4597163793198 1.01830746744262 0.740271186523324 0.758884631747816 1.72855382222325 3.30763323138137 0.896874516195489 1.70644418465454 0.373012515832217 1.00048029978508 0.951951735966774 2.8354473431742 1.57792742109491 1.47730583515478 2.907670290045 3.49241699286011 4.47221148794192 0.756904918928078 1.3863902057853 7.91718242005264 1.30706028493724 0.396834897558395 1.10765419878316 0.731562400572459 1.65126212787433 1.2347727292121 1.14979745733682 2.15242325869995 1.69106483925195 0.454600089477168 1.76156650872037 2.29567449815377 0.900782742365489 0.794630394686958 2.79692949467343 0.809036950169507 0.866867969977606 1.17279455237645 1.45751602116732 0.658447120090794 docosadioate (C22-DC) 0.408239458023275 1.21191015422022 0.790438934478465 0.721176113022932 1.8953184897595 1.31822896751865 1.13127641009049 1.55460846887654 1.98502504975637 0.889037912879791 0.787676108120827 1.38135435355942 1.37636597154818 1.68228477308156 7.64288361422395 0.827349824014432 9.26890790905615 0.633218624077179 1.1978156220281 0.702763806778631 1.36895987136877 0.723862466543134 0.845250350500505 0.510705216820103 1.19312528799867 1.10575605164858 0.774844358167397 0.52906654117278 0.759151739757052 1.40372756061453 0.675408100238242 1 0.695981254350618 0.911262095943998 2.10841887506495 1.02876451769805 1.2453446482733 1.15171562909036 1.4514692681538 0.376528881173358 1.765249267442 1.07307785084684 1.17316049841625 1.92119613573183 1.13394442445261 1.02707202201826 0.814727085071634 1.06421992953207 1.38619746046559 0.487715565819496 1.31667464143214 1.15169585694457 0.361980536299683 0.958087005350343 0.805667487869789 1.58823320059633 1.44515799921702 2.44656973042656 1.07246886875645 0.382931101980774 0.816067636556325 0.836314313847225 0.57259343327494 0.600068807067356 2.61096325939869 0.939461644014378 0.822849482562945 1.27683376766147 1.28344557321428 0.48358318734899 0.807098991225122 1.67059209667788 1.1012808396044 0.635029915256583 0.678710539740036 0.67267608084435 1.68643749431551 0.619350603643611 1.19935859159051 0.999932774704308 0.919345462885705 0.988429340282584 1.17373389064422 0.974537430649199 0.899980623297124 1.29297179305681 5.92718709590677 1.155227162183 1.07548609820429 1.13294395387554 0.831565044428012 1.22283999193296 1.27338550543536 1.08121211162563 1.33015924486221 0.758238064544193 1.7794338048331 1.81815557515195 1.17327122243269 1.1846520695505 0.63847817748269 0.777796671161535 2.71977333212064 1.20802670030568 0.933419276260375 0.874941177866269 1.28766494912627 1.24562541274354 0.44967791174505 0.62998801807965 0.786239377414673 1.11726464226257 0.625258520806229 0.802515807830561 1.29729398412692 0.946259307737632 0.732225829540377 0.810519572447119 1.45323294355843 2.07461216936029 0.549013172203527 0.875819061139429 0.631312751847707 0.612161451433678 1.96829338700812 0.892103400413633 0.73319466468418 0.684563094894437 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0.743502712469902 1.0093662062306 2.92620382688267 1.12593195824164 0.743187742702855 0.822748691424948 4.46366865180507 0.46476690165069 1.7911294567186 1.34614555747577 0.661618861715839 0.815071303353185 0.919804967404773 0.655632363972432 0.854282967180979 0.950425416402465 0.566576734509497 0.894526571429756 0.551244752230691 0.56389120281152 0.961532245029901 0.854268461994339 2.40971557401168 2.41110185542059 1.40292300232497 0.682653454513807 0.500422722582089 0.904402531362286 1.26947321306461 1.02970040573079 0.997343478675304 0.848470531677256 3.04493706821168 1.37919044481191 0.82332061021248 0.478088879495054 0.59349628874439 0.30872217594377 1.74434815763408 1.4905094635982 1.0556916280207 0.28055724782733 2.54807018852598 1.16003779637205 0.592665348766852 0.563870481116319 0.934258349807081 1.12217718707132 1.27487121466433 1.90754186818515 0.657051800093662 0.477682734269125 0.810469014849167 1.31514797362543 1.42838996572632 1.13715275619268 1.7144529679684 0.682945630416133 1.49277848922265 1.11400662265379 1.4161786707447 1.22045397089845 4.89794357896831 0.90271578537297 1.56824897531217 0.966410132080085 1.85796935675714 1.9998860306764 0.590951664573776 1.82045065542722 0.921661631294733 4.08798224565155 1.02399572304211 0.928945307157688 1.10033444816054 0.928379604878716 1.37944532166288 2.02133091303933 1.69120529812303 1.0026565213247 0.373052678693539 1.51992805427426 1.21032106194544 galactosylglycerol 1.50926188235079 1.3419494274722 6.40910835534192 0.553720745337074 0.446462024911585 1 0.559222129821708 0.733849963902876 1.64527950140276 0.989965913348625 0.905219918301699 1.56380052455061 1.20502252643315 1.79443373207709 0.485072239940782 0.825673736829119 1.54959927622982 1.74962803180773 0.539457104414497 0.788070677516036 0.981223615174878 1.27048316710449 0.646299183449729 0.662502046714934 1.21998804006578 1.19652734767102 2.56774092504396 0.415853319949597 0.921534288704269 0.528020417316276 0.437071524678043 0.94464259018004 1.4896026881376 1.86822359381785 0.504232250532146 1.36197310438602 0.887943247264521 3.13805181214361 0.690896211975596 0.724547764987293 0.932899785717845 1.10012885405321 1.06608219607173 0.990432052623711 1.55468466352007 0.946653710071261 1.32727505713004 0.887291857990019 0.66676633278517 2.25557240387559 1.7406296051086 0.478041418391246 0.932002790651318 1.38422712484605 1.6448718222526 1.3195331354249 2.34327502865401 1.99162448654151 1.96838448340915 0.292053762751924 1.04640169717162 2.01050053748514 1.46591062796774 0.721176914479351 0.858328172052197 3.60111483672554 0.811221693042593 0.470196271063366 0.301511365497014 0.768913425738063 0.891534787034862 4.15887491190227 1.26455303305356 2.06052936946942 0.794573891748357 1.10043497141718 0.410389480953093 2.44325438352946 0.474350212502403 2.53486534395489 0.672233731285906 1.27167204151806 1.28631940143377 1.58878827356926 0.487990232720387 1.10044920943411 0.637418220390264 0.501288540532075 0.437416796588571 1.01362222269682 0.88503157280254 0.494571756045818 2.71470929528935 0.492083662587475 0.398091393830667 0.539766781282703 1.6157230420947 2.0516092518634 1.05769956360478 0.517484284788815 1.10089770696737 1.20430486441848 2.37702980728844 0.814941374965295 0.352462109077448 1.75025094504837 0.836298400358798 1.54122261851369 0.853195366949291 1.50132769507863 0.696107326171611 1.92046999693883 0.957819874847831 2.13004648712527 0.820205881724793 0.66180082438118 6.45747104343307 1.5049227943532 1.09902184823698 0.368511913660665 0.804789668894916 1.73800625048943 0.451733122610683 1.005915896034 1.37759220895714 1.57394870042501 0.687795883789306 0.6938434814799 1.59042208601186 0.937253059393888 0.515202642575942 1.46636624450947 2.54748378645822 0.540745644946572 2.44814514234457 1 0.472150438886872 1.43366151962355 1.5298001694324 1.35387523225765 1.39500530366131 2.03877012009767 1.91207312645495 0.359638069609665 1.97218603392919 2.34961094618742 1.43674760979291 1.19981277007738 1.86212972257224 0.882653823975397 0.931878208003189 0.780460457467484 0.726427183221921 1.31779609735956 1.14036548989457 1.6562515572831 0.800625048943183 0.382796204144687 1.61924339178039 0.31311534929415 0.92816208558472 6.17388534124967 0.724974905495163 2.15814877303889 0.80784728303042 1.68816607222946 0.80938142935452 0.763812656173248 0.962141112985783 3.07885369725705 0.863201133346148 1.53701884401541 0.790548092461682 0.257110109703921 4.056201012323 1.5706810755398 0.97477379350604 2.55877453388292 1.84776000398665 3.22105589133546 1.27540240195346 0.862087008521453 0.24173661092483 0.660918067331582 1.02448582961365 0.497551061088212 1.33975111946408 0.739212922424165 0.152225757996426 0.43051847738647 1.0168649310524 1.05696274622871 0.634026012856929 1.0066776299397 0.504086310858624 0.98837465917747 0.605806263303647 0.582573379179748 alpha-CEHC glucuronide* 1.61547995966887 0.559812729993385 0.306413805061942 1.15168485206569 0.828875288194155 0.95650275189293 0.498339873226683 4.70009825895409 0.308899178606521 3.02531613052386 0.436770684152051 0.293299766875815 1 0.774999839446154 5.40658656100083 1.87872404647071 2.03006852438171 1.36729582367334 3.72825940363879 0.534368156392291 0.742779893520689 11.4071324440791 1.73643480550507 0.368227035983328 0.93810970323227 2.29295297056727 4.41547482194578 1.35732167340841 3.16508980279538 0.290745503038902 1.55509246311366 1.09281782276823 0.269667596641178 0.636177600120055 1.57190703892932 1.45116951684527 2.41234933389723 0.505283119257294 2.02379961664131 0.41664677112395 2.13989863505208 0.66568666907687 0.260288269360637 1.15553994229156 1.08092824644097 3.07761308058036 0.59414457124537 1.26796908573728 0.242962093875129 0.715127661170949 2.08068949992838 4.31708947537159 26.3358276659459 1.64145048738395 0.50416442131256 0.440691955606791 0.607834978410494 11.1108534164626 1.06720373263119 1.96926991316448 1.05995948130615 0.383454184544233 1.50464873566668 0.298412676757686 0.724534273767215 0.548127886274804 3.1507991186843 0.481804105075751 2.83306843839317 0.567766492268024 1.82531258739828 0.182415978280889 2.81868907700598 8.07358849651089 0.279483488973322 0.546006452977169 0.230028854221379 1.3462915845265 0.327717105846561 0.290670468420658 0.214749077415262 0.404552554928751 0.826813279763164 0.751444416401203 0.617200663033172 0.267450664738504 1.39862482008745 2.84103575058493 1.12961889235261 0.266386537425221 7.27157756874194 0.912680168350398 0.293064754875545 0.238910224489935 0.196652091760517 0.402690332130506 0.962189373733791 0.914146754070628 0.345479846383673 0.197852645652426 0.573346339333829 1.61711198575707 1.09221072449335 0.423488564042047 0.941834528202785 4.70831997489751 3.72475255629302 0.203985020361667 0.919719779807502 1 1.5334620290725 1.75997789889426 2.28329661184592 0.27942209701294 1.16878014174722 1.40646934835845 0.366632787399641 1.40569171686028 0.600440657848962 0.880476674465719 0.268576184012169 0.639063022257996 1.09048492827373 0.699916097654145 10.739056883062 65.8474409784514 1.17114714288638 1.11111944829092 2.46715871186024 2.84084475337485 1.25483802754453 0.499880626743702 1.52674302007517 0.924549280690864 5.38685802768095 1.35550719991269 21.7424470835408 2.54670904985709 1.37920449662003 0.273098725093623 0.432690536770374 8.79726328283276 1.46790905804269 2.38119632466797 0.610986432376756 1.25989263228262 0.17440773811554 0.304647371400896 2.19731376066685 0.523407390227764 0.459934924521995 0.730189155451265 1.80898914726567 0.334552077435726 33.723858962203 0.854296414027381 12.8337232859706 0.231856970374968 0.984733865851745 0.437192613865033 0.937441592371026 4.52703633721922 0.461169585058561 2.47451892577712 1.45797038178978 1.83049679738607 0.422444900715557 1.79836833811963 52.2096603660325 0.625952428052033 2.04301530024079 0.493072940470262 0.95233937475699 19.7307689684104 0.65332642105335 1.4047367308099 5.85293896957005 1.55792331462015 1.28382185417363 1.29350131992715 0.783368235799699 0.398781710652869 N-oleoyltaurine 1.36157847901978 2.81002350149451 0.816512652018162 0.918630068222785 2.69892760170671 0.302537248727953 0.724290962192256 1.0828188103224 0.526718689392384 2.52835923061127 1.26146211239647 0.876742647226596 1.5065210943026 7.17876651379287 0.937823715974171 0.471572318433842 1.42720469117211 0.937476897802724 0.347965865790494 1.01823989777991 1.42281470326511 1 0.185664088347366 0.961309238597212 29.4471490177288 2.73865425422685 2.23245259771374 0.490770529582221 0.333696123394255 0.904693453807014 0.679190909713191 6.56722568279828 2.63841011248774 1.81329632451301 0.910601377155141 8.68634863020457 0.41969425667752 0.677060839718487 0.718469310015189 0.676161499504231 2.32214495876137 0.544324047160366 0.522283741837598 0.889596283589791 0.344809626175329 2.54810580511168 1.06957755272706 6.1048669510264 0.419124890210941 0.982461248303628 0.97183738764313 0.317023895598894 0.750952313940906 0.64254946775558 0.609125068137962 0.958619027515605 1.35984122439671 0.399116187962105 1.52026022635552 0.827645329981835 1.31177828352186 1.24993408612638 0.791571435272576 0.780672596489015 0.615688957687337 1.50595812891945 13.1169223154452 1.20912733266368 1.27124327314548 0.300644904574504 0.73104389783107 2.6124377457617 1.93978302608572 0.37206804576283 0.537837798492796 1.01913685984689 0.399336170460556 1.02032735336792 1.70288775554768 0.949159780082202 0.624407381706838 0.65894463396368 8.45188287225972 2.72874378670756 1.10948173093876 1.32039642140236 1.51455038650602 0.981028127026953 0.903739864225508 2.38344243494746 0.652882175109304 1.33806295705004 0.572051547075446 0.923253605852828 1.43449293225348 0.252921642557555 0.69766802376458 0.638191873264201 1.83814787676451 2.35102413175658 0.328123306660455 1.20484737905411 2.63644495342356 0.578165766517693 3.35431901667823 1.50552139895929 0.993719176165543 1.33395769542453 0.721248206576506 1.45102397000474 1.32659151676315 10.543851731796 3.70376768554149 4.12474301676881 0.654654975243881 1.67603048051618 0.662697276584319 0.937775685787351 1.70174578757778 0.26360696891615 1.40174789035167 0.993573599512156 0.650235915054405 2.20760848291335 0.606116483967967 0.493954525088519 0.55011476292842 1.03556114138566 0.339154781950436 1.32759761318989 0.359703735335174 0.678626597501581 0.471907749692267 1.06562433782842 2.24955720434595 1.20405803008908 0.585755162714261 1.53473378073892 2.35391625460386 1.21411899435648 0.262794974693925 1.18476103592347 8.81007584543642 0.974765095894577 2.1394786091283 0.266408510734661 0.815391010803405 2.8312459258756 2.31715006203183 10.9331301730259 0.365432985405132 8.81591185171886 0.516337744305931 1.11914802072365 2.67112778233379 1.22908750936139 0.597980366562013 3.99384372508011 0.686830650679115 1.18967182169772 1.07704401752743 1.79685910282726 0.561553852847884 0.626173711767931 1.9069603433021 2.0031476907499 1.04773781968229 0.626286938053899 1.1796949683856 0.487093012158886 0.41934163767265 1.36967897112892 0.729303448063911 0.710808743010299 1.80560987721418 0.973448435940611 1.47540320689192 4.02433718140954 0.868122109696861 0.490599791987138 0.758376723263635 0.889994193109048 2.01481646827804 1.39150576402672 1.63538224385384 0.861994950107646 1.81966611185787 0.736449644226834 1.94154935614681 0.884252002892123 0.697024251452936 0.895639332223716 7.11450897803572 0.595654375144566 0.60967502438409 2.24690123918082 0.984094941858302 1.63344769188216 16.6165106570198 0.578531325669531 0.27492312743942 3.18405903295047 6.06196712879167 0.676287665937166 1.68917443479864 1.48657055372506 1.02570721946975 1.44530442504501 1.56455111438928 1.25215655636809 0.802107949941042 0.905499724213118 1.24914473716135 0.359994888641948 8.18790063908151 1.67584284838515 0.249366337178175 0.942841753325213 0.774157232490768 0.876297047543718 0.996795696107118 2.36515477224533 0.30938920888794 13.8065221575754 0.605773570073322 1.2072154259492 0.444908133044121 0.289911052664781 1.48144625552585 0.969999886773714 5.98910763128992 0.72578049305195 0.638499201754684 1.61201233843013 0.367545464397612 0.354653842981022 1.39482167668719 1.46907223998797 1.65980677125541 3.3437307414219 1.20875206840162 0.574445474264474 0.689467205623788 1.03599463630908 2.31982867245415 11.1657972505423 1.4118962006111 23.764583141253 2.61879782799633 0.550344450537097 0.899071706206903 2.36205237200982 0.788417274449195 0.46891210566924 4.63369517219292 0.97626291790609 0.687128274059373 0.785088421641749 0.61426877655763 0.861234716473292 0.238917168501741 2.84578418099384 1.95317284316057 1.43144229260584 1.69537276519618 1.00320430389288 0.629923119351828 isoleucylglycine 0.836611134153648 0.850874464261026 1.90998433107517 1.10666966219641 0.540623991889027 0.782322918106825 1.47622586294299 1.03823332872483 1.24511498225725 0.932018756624729 0.931477257016452 0.816132079819347 1.1748237245956 1.33397852435596 1.08302801972441 0.893894879948385 0.84976842250795 0.838771371952625 1.14117010000461 1.09427853818148 0.757978478270888 0.83206023319047 1 1.33581040600949 0.786758606387391 0.969232453108438 0.92755426517351 0.835366837181437 1.13041499608277 1.26064565187336 1.08041269182912 1.78029517489285 1.17519240517996 0.782983007125368 1.50886869714304 1.36666544327756 1.43546535099907 1.27269867402098 1.28466341944245 1.54138637948481 1.03388613043775 0.778463458241361 1.09393006758351 1.13098827119391 1.52013086767998 1.11850970234943 1.26780162221395 2.07030991941361 1.54705940952251 0.761486312897492 0.999963298326928 1.84763562578974 1.18661752137873 0.629643417030625 0.462703235514636 1.64867061297037 1.56202320594357 0.964352189254799 1.34193900181935 1.035469545476 1.68371546765796 0.670917069948146 0.601194377303686 0.866914490344838 1.4214872566548 0.818342447582146 1.66318350312226 1.13558122342406 1.01291374582518 0.895478878187147 1.2899170017879 0.840478799540705 1.58939216786297 0.651601503719977 1.71134658438501 1.18748787534015 1.44247012745967 1.00003670167307 0.658868434988229 4.30575639526653 1.11883477431093 0.513236196238603 1.51276956068097 1.64184410177898 0.708782710366125 0.669102958679159 2.47191011235955 1.64936270166259 0.639028559144746 0.532174259543746 1.57973438474888 1.11773372411877 0.850241444577852 2.05038615403168 1.0281292108616 1.04026173535997 0.712736004865593 1.82867659009999 2.31226832068873 1.4588915046113 1.93843556496983 0.802518783391969 0.904350196878261 0.850524571770122 1.23257850225715 0.761664578166699 1.1338195431166 1.03331987605321 1.28053185967377 1.22465094087361 0.84940254919335 1.28269201528887 1.39720123527345 2.04249005122505 0.46007120124576 0.854792452038778 1.07233899762488 1.13851735726982 1.01567161440174 1.00573070409538 0.959434165063153 2.01880174280516 0.88236065161199 1.00147331001903 1.92594650993305 0.631174401107342 0.975719221714807 1.26332401809917 1.80946588579488 0.790879109931997 1.19266805433945 0.700603480367226 1.8059949561415 1.61468486370572 1.12021895169535 1.03654962328354 0.966292134831461 1.44000587226769 0.817985917043733 0.718314659172535 0.794150801931557 0.934183413989629 1.46031762676496 0.810236620929391 0.681151593639076 0.6446281858363 0.964540940716312 1.42630041892338 0.862206189999318 1.2665537653295 0.61584358795556 1.41423081157885 0.573793956807374 0.862216676191625 0.655407991527157 0.980846969752578 0.813780953928914 1.29940700582508 0.555474578848302 1.07109114074043 0.686415662176829 1.51382866610391 0.760951517089872 0.894660955187257 1.32494088409087 0.801942042815123 0.636469928222014 1.31916299213011 0.964152951600979 0.927031830836746 1.13655643930854 0.543457402465304 0.954117665563869 0.780864796279499 0.567397379500543 0.778757071625937 0.640895101375264 0.712683573904062 0.888442643149633 0.569494617961799 0.844253828770966 0.585150503075076 1.83933056148317 1.18361847037913 0.668631080025377 1.00274213928809 1.87298075259402 1.22805895337315 0.863779118845261 0.757270863590367 1.26508569840662 0.731705526747655 1.32497234266779 1.16030766488227 0.851279577616174 0.596161004996671 0.531272447005406 0.869714303690616 1.00382221709564 0.652985681104406 0.80564366869924 1.08777467269972 0.827475921080917 1.18605126699419 0.774258495126542 0.869378745536814 0.645781666989991 1.50055314664416 0.728318486632726 0.712201209057973 0.952177719987207 1.08354873720029 1.08562500327694 0.546613746349494 0.734232699093469 1.14295301661537 0.863758146460648 0.593979876996964 0.783412941009925 2.24093075442911 0.661773110257069 1.5318439444861 0.95715866133269 0.947322612949399 0.745547300591946 1.34525263858814 1.21898839702821 0.896863055571576 1.30517441159353 1.09939337377508 0.792609331662533 1.24189024102513 0.813214699544375 0.74869315828383 0.968022356561997 0.944952733488179 0.943662931834507 1.15790632684413 1.1446622659613 N-palmitoyltaurine 2.79092238507967 0.851706441400323 0.618425109829554 1.3593494793209 0.530250066401468 1.70178871816164 1 0.97794250090825 3.66689054901039 0.858459547004607 1.83411234212479 0.619801986243448 0.506714943841149 0.935265437959658 0.798713490641209 20.7339422933083 2.98265929483168 2.51588292581659 0.958770031109469 5.03261456924528 2.77358778579344 0.879397705798906 2.63028012489352 1.34472700352968 0.259889026832979 1.09313351315261 1.16692553321491 2.91463779640515 0.439369440051289 0.664199022033469 0.588239252905829 0.732578753579708 0.626900986644611 1.04024681169097 1.55323825227003 0.946116204809782 1.11852309697666 1.39492172902783 0.805998855910216 0.76292015634713 1.03143059041054 4.8407926452383 0.766724343432376 1.00858067338362 1.7992104717865 0.572161780671258 0.87092506566119 1.18979316061002 0.902959579626701 0.566972642794271 2.43164063537717 1.08142341771143 0.59299979987284 0.848500197470605 1.54717776427854 0.923195446310133 0.6284276203818 1.77960863628394 0.88598596276218 0.420589365632322 1.31091791067245 1.68638834232725 1.74868279136655 0.880757862075195 2.24888026197177 0.591048117299311 1.79180753788691 1.33461084122478 0.751858260381375 0.694784827881787 0.674173501392921 1.55810860351976 4.70465658710579 2.79361576647817 1.63777692374447 0.535299420339649 1.15851665040265 0.681133676087992 0.67424788493928 0.804383670332123 1.35172614103475 0.358595992852095 0.618233532456906 0.611014786386394 0.430903884060846 0.911386172807146 0.99730979507333 1.21243763736604 1.09888938281138 0.929326775774341 1.52671166280876 4.74506810522084 0.752531254372247 1.52751571352417 1.88131928074653 1.15061782619399 6.39125391177757 0.539270084885795 3.09339208452805 2.10207902012075 1.1039935109211 0.438753119238596 0.619115508792312 1.63139056497846 0.725487522160098 0.671208785759447 1.34205273793437 0.956848687927373 1.03727855398386 1.09610177085971 0.825689243253678 4.11202162081748 0.688858938688476 0.531488149107132 1.21419096381595 0.841199983706461 1.12143468150559 1.45697177498623 0.891717037905501 0.569650450463215 2.58216813869344 0.567967965486035 1.9925085142595 0.854493386063003 1.64312899700872 9.13432782954125 1.40652202018628 1.95213950102809 0.722108383911193 0.736946130373104 0.972161072256531 1.19063971620906 0.712335802749003 0.558854210020172 3.81597156423285 0.988624630517444 0.798946587300604 0.576943580080086 0.95758189717006 1.533845399112 4.52936644699907 0.643757715079139 0.638001845420364 1.17374756703817 0.786510366764015 3.02976227372791 0.68141349990525 1.13677540242384 0.300024263204408 0.977892147399852 0.91854824569948 0.435692767616946 1.24971087823945 4.80635660534747 1.56251494312315 14.0998545978772 1.82091984110258 0.517419032624269 0.649517126811549 2.46154282101371 1.49499947754414 0.521152378236791 1.32287949334179 1.20017143636399 0.890254161493763 1.52725005800146 1.00269020492667 N-stearoyltaurine 0.797279864948798 2.61472583650523 0.931204312719976 0.592485388033317 2.2766757974869 1.48946106926152 0.492602443025274 0.712383144081158 0.49272586835693 1.50592839738179 0.998909079326655 0.787274450160055 1.15511777165517 2.62719975792709 1.00109092067334 1.2637718781354 1.4876176522113 0.778411715054705 0.631228997786307 1.28136994155213 0.890079788504722 0.396525775987005 0.693674252679524 24.8212920641493 2.95191587966428 2.53939656957207 0.665274482011753 0.618364893057922 1.71390406268414 0.58812966826456 3.13460925928875 2.8234022391744 0.56542269349232 1.74692642656004 6.43196229328909 0.704583879921808 0.927706797025028 2.14126238256122 0.515062878007193 1.13973241324672 0.863792544198316 2.41262669609872 0.543635700814931 0.503770384042391 1.02389105929564 0.487150267098771 1.03911037881811 0.744615684912436 1.27217092024927 1.67159911933474 0.940181931435559 1.17489587310153 0.964919784254233 0.67436913882534 1.77220393084424 0.650457986124068 1.3820818490526 3.60835656035341 1.2169542415744 0.953811001426632 0.615518424217721 2.23460486317826 0.666722162739363 0.624112660854888 0.885671392444305 1.38918917367305 0.804316063529608 2.34061193031607 0.772700525011984 0.471655380870504 1.35532891469775 1.14113321066788 0.557672379891668 0.422719326698682 2.22366256856875 1.0412058339768 1.02648023813556 1.35713732120457 0.61107491108668 0.428110100380914 2.20550961182411 0.710456895339191 2.14185370278409 1.567744917086 0.974122564033378 3.11576385081508 0.528393417400315 1.54112976608405 1.6921575437821 1.05901433233919 1.21586919767031 0.90566146056095 2.70639802740166 2.0167234544583 3.11926010339492 3.27881896702672 1.15313758528933 0.863057699649514 1.45626096167039 0.643396589287919 0.639314757458242 2.11899888912172 1.33212964265313 0.383944794803271 1.37833873463213 0.790566433104747 0.510257683574789 0.445998972365826 0.546190433816628 1.12188372807307 0.416869275173449 1.51298751625413 1.05752742032247 0.541982300580125 1.17116424062714 1.33206075097668 0.53752730550301 0.483068435269094 2.39656919451278 0.590906872805872 1.55860528801027 0.682883001839982 1.84252510958082 1.57056373484742 5.57571912863511 0.404859159578957 2.053706802766 1.4611120838871 1.14007687162897 0.709073320837149 0.950865882258384 0.763859426534203 0.649843702009054 0.948816354883989 0.772005867274444 0.745534240598439 1.19311198054958 0.903479890806693 0.795388850456264 1.18340399514314 1.16325317978144 1.37260350256765 4.19979160267874 1.41877240773539 0.580251626848235 1.0859452368582 1.37173661563899 1.15614585516099 0.546425813711166 0.786300890137869 0.787672982693837 0.709986135550114 0.50405169172123 0.49847146592876 0.883352039337147 1.35846348597624 0.753221403495679 1.44631759636941 5.15117991348354 1.69129639782647 1.13199358159214 0.94772557000686 1.33397249499818 1.48955286431497 2.02667830170536 0.344159851653257 0.507565167220192 0.55768960281078 1.19748660200417 1.91491877958395 0.704049969429319 0.83498434149604 0.842642799528092 0.837803159257463 1.54885137481952 7.54846098865297 0.644981097846274 0.589517557330792 0.605138744965884 0.97610894070436 2.56497489759539 0.848182838509299 0.865290938161109 0.787678723666874 1.12870400404165 1.10220367250045 0.838090207909339 0.488878299983064 0.701328748209534 5.09492411868888 1.75985509784053 7.06377933996033 2.28180714349275 0.481529854495038 0.424148828985025 2.3431724042908 0.901895382248337 1.41392702649172 0.876847516885637 0.683135604653633 0.538664018164439 0.47904975414283 1.96882651640627 1.11780763721643 1.35147672178958 1.6292249973448 2-O-methylascorbic acid 1.87448385149041 0.270817463081351 1.26359579571141 0.407866030687563 2.04060771104931 0.476185966032318 1.1942851232848 0.356873093308035 0.369899838428903 1.78147831857943 0.555353257233562 0.891930715418413 1.14848596064885 0.369452720070535 0.199255562229668 0.88628821397705 0.555043919952054 1.34689902107975 2.47639263764761 1.44900203655979 1.09838663452073 0.985083411386194 0.326645604866299 0.912744414538763 3.9455979191662 1.03343197070499 1.12927032544525 0.486834870674991 1.90756256831254 3.71804201652703 1.42922929045203 0.475889942227108 1.01491658861381 0.893540305767662 4.75029882723017 0.514113558144932 1.55972434294066 1.24743615478475 0.455066906943752 2.83224738766332 2.85712474936679 0.347492991291835 1.16931809724005 1.31670339237263 0.784059276868218 0.655381763149645 0.286754500120665 0.654694537605695 1.08902728377882 1.32178202748451 0.42242493408544 0.11011892813565 1.13706213899233 0.289946253414137 0.582791958085331 6.11040920029681 0.234594487309897 0.657255112466366 0.454284502804611 2.52964632806844 2.5371817888614 1.55559771932238 0.450781840284904 1.05744930386556 1.32454998793352 0.599956695994605 3.78608464128721 0.756422863612682 1.6898098006888 0.551100079616218 1.64824111309337 0.572749037500818 0.639303459584056 0.204825464559506 1.99592558928406 0.800097997866376 4.58494294922831 1.58422358399286 0.768643276489308 1.22337672003735 0.444402280677617 0.605016498374972 0.865769085902065 2.28341242328763 0.915771003006471 0.590579010638802 1.3711900933066 1.57911201979354 0.467513763681923 0.9248955178099 0.402400214715693 0.984881940199875 0.548272688930639 0.446918536595268 0.272946950337974 0.88349519708961 0.570467683258266 0.393674119316067 0.444749953200098 0.604423549259434 0.97722479966259 1.19094359878839 3.10221448113005 1.35126032699035 1.65353378727358 1.81692735527553 0.691431219932473 0.663425369380911 1.5396593643784 0.726820290633028 1.38918730561125 0.536280975332505 2.55105373079794 0.498327721104162 0.712852267934512 1.41271581520918 0.959974468680153 0.847004693522668 0.271627756965291 0.750410485884473 0.383650031463066 0.204040917774264 6.03579966935588 0.396495420375888 0.630433130270628 0.920043326559565 0.462273753487438 0.468008714931086 0.191935643932816 0.0823368149452949 0.507734614109437 0.653454734909569 0.784443148832709 1.10278431222188 0.534055780971949 0.601249049905611 2.49830967776858 3.6930135076921 1.15108632157284 1.49025569661936 1.90831504566092 1.05188394977638 0.303704296794827 1.28852861109169 1.61372985066884 0.797694625566956 1.2060668460475 0.62292687712714 2.96556057260526 1.06676699513056 0.48556939128552 0.46414236642857 1.40805736427465 0.23252187190585 0.681574145704446 1.07719085563753 1.06763713498896 0.497746838469294 0.311119092781087 0.499031298420983 0.934265083664692 2.93320875913726 0.975726300642568 0.990935704829073 1.23610212076856 1.17528897529642 1.89333524291968 0.649669806958864 3.72025702731536 0.75503815037767 0.59643328363898 0.38832821729589 1.32351621757556 1.04956797488368 1.13579842887655 2.09061126310115 1.06971245689334 1.88896898125072 1.64098295581413 3.38513612568988 0.625656721029733 4.29571132467404 0.422822113009922 1.69329949456106 1.25078432124355 0.181851336447312 1.38652365819607 1.04835275623228 0.945965397393189 0.318025179474804 0.481068481224782 1.5107566472776 0.482563371577687 0.149462083057985 1.28289085811849 0.618003978555496 2.75882589759956 1.09643463688915 2.89216344104453 5.33564088800276 4.81437974906231 0.500200393795799 2.93146509629503 2.35664874361999 2.30376541859411 2.79823615117609 0.40855614973262 1.2474686327888 1.14411155743307 1.620287588215 0.434179377820681 4.22376735825268 2.68171747745147 0.296325361938035 0.467639615947602 0.979426199374347 0.317106886464566 0.597769054326228 2.84601512933689 0.627453950024471 1.8300186974065 1.52646348367191 0.882214684117579 1.59430112522752 0.706286749199891 1.46657731456526 0.277319639945238 0.905502879039734 1.78877557924746 1.33105618920242 1.70552904187633 2.81044133998832 0.387553819886913 1.76580675136509 1.25969547360373 0.257415359840497 0.638668898025834 0.199896025278713 2.73653437142657 0.456914882819813 3.70423003448533 0.784111264228862 0.739627901311976 2.09572350392555 1.74459241232631 2.57850305721767 0.638993678066296 0.446549099299242 1.68827352343491 4.51075585788167 0.652057278568803 1.16065752170275 2.30880616270127 4.03062472794033 0.898170293001216 4.37503670691082 0.635933641122566 1.02901593903157 0.883017725321792 0.535282615020626 0.163950543217172 2.54924928446897 0.750738310737815 1.12115479603137 0.54515231958356 1.01119724297832 1.64677779857773 0.310545878563841 2.27641138354042 2.1080355995011 4.86796450875891 1.0422247883855 1.26367177368244 0.999123319432447 2.44776916709708 1.59159473766118 2.97768524303245 2.44840339034276 1.67577479210694 0.684667111735611 1.54801658633623 5.27027924317229 1.32614704867415 1.57064992094764 0.572459893048128 0.510639929450558 0.540075150492696 1.00087668056755 0.607745552881633 1.65130509701676 beta-citrylglutamate 1.63922611815055 0.738481555612203 2.45950260102336 0.63978017754025 2.66486483443757 1.38538489436283 0.683199455751241 0.736828223093742 0.554868364656318 0.985559877415365 1.22331970835086 1.06750115998646 0.485204845164927 0.845415821974044 2.29818205796474 0.511537542951665 1.36000913514466 5.43314175798461 1.2487662327741 1.01444012258463 2.68133382761757 0.569328590992394 0.514324727051367 0.945632218754549 1.68264700466166 0.781632247703951 7.76028286782427 1.81471417692427 3.17736574915826 0.950169233379625 0.770227791586821 1.05612404497129 0.922207327576155 0.45103168431642 3.31935291653164 0.791179117187984 2.20322712033431 1.01606457719419 0.434816198798962 3.79009512931528 0.703081447681776 0.225267899980142 0.630901735461362 0.594656060344715 0.719260533727205 0.907666729960589 0.782063565457753 1.7699865053493 0.765049579433631 3.86679141850376 0.52818874537435 1.30847669889825 0.404017666251633 0.342023443875443 0.473434671250886 1.13418408095051 0.491806819219514 1.24269788651448 1.42717454482732 0.723620566949267 0.649478259987274 1.91166729235849 0.338214212722658 0.370178126490246 2.3844337537306 0.131828677364789 1.45388409674983 0.940368428605181 1.26698825776957 0.414397386299233 0.954471860536916 0.282713656847412 0.28013648295485 0.281755551142697 1.02614570454107 2.6357589400249 1.64977540320886 0.741249132124371 2.90798706484825 1.26234412663809 0.948211560175851 0.623583315335634 0.52831919849602 0.43780937320174 0.556033239455402 0.463753600143788 0.663351224737391 0.937121595354709 5.71129274695138 0.387464614590747 0.404843869355547 2.77682514788311 1.59471983742642 0.934060295432836 0.377074748189238 2.88216604363222 1.43929943774705 2.15945285061813 0.76630192940167 0.755751170816767 1.35378741649188 2.01683280113291 14.6863008277975 3.50760034381645 1.25170205086802 2.42018225750577 1.09918930632277 0.186026151502458 0.799379043140847 0.615953257197026 0.64009288262263 1.40643684691906 2.9844818764377 3.18780176343631 0.666850267356426 4.05564115535082 1.70008102588335 1.05803424539392 1.53092681145031 0.417384762785493 4.80719028617066 0.457052658127302 3.25379219977301 0.560971614850204 0.891918139216673 0.386863080751932 0.499341211735563 0.194666496594449 0.603616740324364 1.30422537661092 1.12151708283628 0.607454961059743 0.322627963641266 0.524899877229118 0.730251933967529 0.610688748998048 2.04326550254166 2.69714438116663 0.460303839815162 1.02187988746244 1.03529481680758 0.371804442073741 1.11641056786244 2.59821163264981 1.29044807748336 0.336674865886944 1.82978186788578 0.738308138970261 0.677121276469301 1.7874338856332 2.37637030133222 0.728958998583859 0.421399819974692 0.630482835992886 0.302032314687717 1.97729245995452 1.52415339547734 0.555005558752462 1.62755488815094 0.837172761967987 0.443966760544598 1.08121721459394 0.677014015013705 3.82072987072096 2.61086413597274 2.13316364764322 3.50497678659174 0.78648592628239 5.21811037203781 0.331363974355815 0.181447246931815 1 1.63536758065989 0.309968212922686 1.11079818467234 2.68619066738368 1.82550880341149 1.29820134134799 1.30298752143417 3.72652967156252 0.289068173351906 1.22358795366885 1.6552529848399 3.52619861052931 0.675574682237938 0.272132459200786 0.572413803099856 0.743585692481407 0.661387180516681 0.6832757648539 1.38049986737266 0.923050051963827 0.100043049530151 0.220438235520066 1.41842983723799 0.512599597334698 2.28083803085361 1.14058643026628 3.24526926249052 1.54848580162719 3.31506748050088 1.33291056858718 0.925596786794665 6.41976770647468 1.8256899883027 1.3100812722948 2.05409311164033 1.402233357443 1.18271988960767 0.70934754595936 0.274237102897074 1.01638926051923 4.84660597214391 1.05514398400935 1.1139957356324 0.8912600756918 2.51723358211227 3.7483675241302 0.579235051884105 0.765711991395892 0.829526759558953 1.00698214096764 1.01822575057653 0.419276333049719 0.729144531912457 0.512889493160633 0.781309836310322 0.253696534150453 2.00453397071762 2.19652907727608 0.969333370053471 2.37517593052936 0.361384136610509 0.563812593944366 0.732747937028829 0.492611280136483 0.308775291598964 0.256031645028359 2.76699333094652 0.611732373971413 2.38189281681628 0.677740204057672 2.68103342064029 1.89649269534993 4.47803821696673 0.474347843102581 1.92870157109043 0.302801988105574 0.75867911865871 3.14782947747727 2.00084649581173 3.99203366270331 1.00119147184459 1.17493328772306 0.384593196434861 0.447235335982015 2.39481927169472 0.998833169300612 0.83408537142178 0.527052353736685 0.364709241733983 0.958605775014748 0.241747028205414 0.178149681911805 1.83497970004479 2.90804214505518 2.74125493004089 0.570493243253037 1.52497380066473 2.04063759687956 1.38092601423678 0.80529436746905 1.02018834531811 2.04273209422194 1.79135907511636 1.33333961440956 0.616064867090011 1.09067651539419 6.31950143715856 1.1084616243153 1.22425181511024 0.547772657895385 1.71117968757927 1.50488257044831 2.3712652358375 0.978211429722729 0.683036600797503 0.0913244325651577 1.82927889862778 dihydroferulate 5.48482416804343 0.510370545197073 1 1.29480714291099 0.241823266472189 0.699252994429494 0.569767003610653 0.32292349788562 1.07791923897394 0.909530162893949 0.550371995205898 58.4724376804384 0.759443100186186 0.990298726849234 1.10966886019463 0.605639854367834 2.30827736444977 0.926837173891741 0.863790205256929 10.3343961767788 1.90255760837611 1.0854194462661 4.35104739075703 2.9629361615522 0.948229724942147 1.15872549241311 2.05054913578013 1.87356685737546 0.670510994022448 0.657689031606401 1 6.78976052101943 1.50397624054936 1.09869368248871 0.911768918236434 0.814748648832003 0.707032103902369 3.80285384771941 pregnanediol-3-glucuronide 0.770786083967053 0.601404099935056 5.31603012451681 0.331615811006692 19.1245276430739 9.74620005979222 10.5099653159159 0.08618218775874 0.989457600520343 3.39528074614919 1.89907256419706 1.01054239947966 0.311282516944138 0.175186620981295 9.33330686110844 7.57065967362372 3.60633613796711 1.20010409491408 0.462946706488769 3.83438341648566 0.657913986490633 0.518545598462073 5.56153003771636 0.219952028390477 0.304732282123471 1.4277949829008 12.6819490164639 0.719074671036115 0.14238490899407 0.932022936323251 4.23121016244648 0.22693807041765 1.96163359149009 0.0955008396307355 0.922749441584808 1.24919012806789 1.16037914980849 1.16312972820018 5.15014459277395 0.141290267573861 0.0606766554647254 0.144605130541264 2.85368759970229 2.98253724587115 4.09287382720453 3.68648843237214 0.292077815254878 0.315229134548097 0.512470895066547 1.78901688034655 5.62010714816754 0.269498194495301 0.101517678376739 0.0708181261386089 11.5065104847781 6.18116335708958 5.98897956342497 0.0860241538511599 0.417110920636464 3.05334878182493 1.77283715282597 13.0813529484693 0.0923910961660364 2.19043409959334 0.108780885827931 3.80564721175458 4.39471994391753 0.175658905213784 0.0715076242260137 0.224558076621608 1.65108843080697 0.407341795405241 2.19472430991497 0.474614402107541 0.0504841108584416 0.109715868300099 0.149598843093054 3.90880584615296 0.629735820084659 1.7353966652841 0.778400504478648 0.139898091029399 1.10284848382501 0.649526145116694 1.066316618016 24.8976029438356 0.245160641933428 0.673336482892498 8.32230946437037 0.271921734965008 0.897595529877633 0.327902883741314 2.37195167911731 1.46963840067747 4.03102082374839 0.55452533575962 0.213381123156962 2.13762282971827 3.55956888658416 1.91040478974633 3.59980031739978 0.920903366060466 1.84377390229145 4.09503128896189 4.98602757250954 0.0405971860734567 0.739155130067595 2.94959455947292 0.716345676612217 0.134354921817754 0.27589891150741 0.211118218442385 0.329614684249829 0.248724284378008 1.22969389003371 0.513748567149659 0.412009293808151 0.7334463824622 1.08894319384246 1.47106599946537 0.503570850459233 9.37825313147048 1.40403805337473 0.420681153265869 1.54743882763907 0.150754596756888 0.841416675556551 0.808432800503161 6.36065939741821 9.23828831481972 10.5401430811503 0.480702085340422 5.55750863005297 3.99367177502098 4.55700077393483 3.06613044529467 3.25623585941983 1.86824984873466 0.882775851750497 0.349613423876981 2.1571824982814 0.461334355910346 0.746948847397268 0.577404809928772 0.111311516801058 0.288404610987568 0.276616417880325 4.26246399596681 0.128632170069605 0.29448240894321 2.28510292838982 3.36659179942114 8.40659628074682 0.226359668398375 1.99181910931181 2.38731092862706 0.90112292630567 0.353596366831106 1.13689749750088 0.0569424919877769 1.38630057091595 4.4202050124122 1.19821175334751 0.305204639654872 2.12335178447789 0.233755503319188 1.93596729291271 1.1253795019715 2.05636173195 0.590757348159053 18.2181071094502 12.4655496028796 0.406600399612332 0.174922452059495 6.04736777720892 0.092332608275707 1.95825035535512 0.933683381984 4.08260961433827 1.52306914792617 0.237666778013331 2.74135378048012 0.475031231297776 0.109219956891954 0.282438022400862 0.484988176796536 13.7768118580491 1.7273146273683 0.57893867544699 11.8729156995914 0.260948253456861 11.0455855441001 7.84649564862453 0.531867456555236 4.26517997588816 14.6811895118856 5.15324527473451 15.5721190698119 0.363547545918143 0.385988772796376 0.250828200883661 4.76476788339327 0.569449633070866 0.406592985654403 2.48781124722131 0.294853106839665 6.54379321977072 0.816243817068002 1.07054504535489 19.0425038089209 0.906505459762185 0.514625061731497 16.1098896844249 1.20384224250809 1.91680550675844 0.565376075075386 0.126258879759195 0.836036613419346 0.527968538457641 1.52355599783018 10.7385125870471 12.7583663426081 0.14663820256004 3.81835555941814 5.91307463837391 0.431898471612573 9.85027511962215 0.0791613001281379 2.65815763969235 12.7595278626836 32.3852284302221 3.36244410184636 1.22283021253758 0.673909005199244 5.90281289682695 0.554003063612171 10.8563310875906 0.336603575257645 0.238483960931737 5.80641826337921 0.566347303564096 0.156109121927893 0.767605781733902 0.237956746145669 3.98343227534781 0.425421143701863 1.13969750227876 0.851832462673811 0.126662528579778 0.239304438942555 9.97049327121535 1.5046957126317 14.4782678358204 0.201545151209731 0.676367144139287 2.64565770662392 8.98265092655939 0.565605083998084 3.15979591845141 2.29048216675392 0.212535931953047 0.19136084433448 0.359253216730997 0.249541467296414 N-palmitoylglycine 1.14299730941158 2.19325768402193 0.632923600086538 0.633059195992455 1.1757231527724 1.79885794729128 0.546131555452631 1.97483705638047 0.536633747840369 0.46914964607945 4.96970421809916 0.940977692188152 0.724642803818624 0.948764553706644 3.10626910150192 1 3.92279412884963 1.90549270067432 1.26376298445065 0.537089289142272 1.25482736660562 0.989959808764066 0.771188764736533 0.282740317081123 0.963535366154652 4.36150173227579 1.29740600461331 1.29816930291516 0.465969998263154 0.997054978807426 0.583848546990837 0.84911070415411 1.52803940508439 2.76192558374799 1.34164988222962 1.44712862260228 1.01402054647004 1.32838327656028 1.39435141089174 1.22812724247133 0.743619188166222 0.624305950595369 0.532069935648618 1.1655761153322 0.706030177446787 0.354990153649427 2.37094713296871 0.919545802673147 1.70297920918207 0.797530251330634 3.26397008331973 0.525417492024891 0.843251314214962 0.935931598044831 0.773107052382199 0.303665508026297 0.59466935288374 1.01084498975767 0.605720058450332 0.999454321915301 0.698817568709563 0.731768798610018 0.437183760233879 1.16347453035467 1.78136176139091 0.768861387142665 0.928836817141825 0.871889272741496 0.678871827461419 0.429648573655435 0.69651509693271 0.835889971982086 3.82568820630302 0.565364991032529 0.707380368530697 0.995743710939349 0.590251774902478 1.49739668092512 1.51886066279123 0.290271767002219 1.01196338838082 0.591016690022976 0.45865740011918 0.524801310400045 1.7464345007625 0.642368378099862 1.15026236009152 0.903843795060696 2.7274651852553 2.32172793553079 0.713430151756456 2.23259600795435 0.778432484168092 0.96610711322772 0.330294598559603 1.13602450818952 1.13811450354401 1.52270455443211 1.84444021637826 1.93981508756443 2.40102606795962 1.0446673729898 0.3230781266147 1.30621812250038 0.980972736377605 0.7603603986444 1.19649529799335 1.19348585921119 0.705763616116916 0.641669137509912 1.05184134965024 0.791463083670318 3.73424221732668 1.11629510657141 1.14400203204724 0.580765668445996 0.518616314905511 0.748115961904909 1.08735002303438 2.39338850637767 1.55207845402155 2.55272264390207 0.707505922780273 1.11081514647835 0.807022152598635 0.857869692073374 1.90701065955579 0.798480600419738 1.22084702759972 1.05254059024019 0.914359446363708 1.12977963297595 0.97393397198595 0.723534371441624 0.806728548815009 0.409341622489277 0.891021808773152 1.16376427093062 0.808372343682545 0.489495455419066 0.939989897711919 0.725081586117177 0.548082931479251 0.549531634358983 1.62873222079391 1.39914565162173 1.26286520592346 1.11663506884719 1.02074832264352 1.40137858566035 0.731927190124869 0.321633286942648 1.47783919204875 7.42943319982731 0.805930796429237 1.23450732995367 0.676876480695068 0.971229726610451 1.21939446151231 0.849990680011474 2.95911470732822 0.869600322191521 3.80371234941941 0.371968951399882 1.53112827877679 1.38728753565016 1.11304228570546 0.579884857095119 1.67533023182144 1.0388493822248 1.28708944967641 0.724193048350942 0.708688064330134 0.842581047682607 0.749311624681648 2.98376583552973 1.12677598900531 0.695709618131579 1.36939895249124 0.882766133962521 0.891985679089133 0.305241696759445 1.74289000771676 1.29214638852859 0.414603311348462 0.870239683062442 1.13391326519279 1.2389036602927 1.49022656747237 0.699418297503692 0.696706325712834 1.05173124823138 0.905454752662957 1.21069451781856 0.915810080847279 1.3430653973454 1.0696294894095 1.71411876852529 0.449038012997762 1.3536486547828 0.83074417935328 1.63021376093891 1.36127848994938 4.72984878439341 1.07743703212933 1.73613132588185 1.61286602685509 1.95892251274617 1.58639919104431 7.7014455157334 0.592826602820721 0.424616745653167 1.32347313959991 1.22129515969052 4.9951371873337 1.20085879106711 1.14148515224419 0.611864490264234 0.506169059762857 1.0457587291592 1.50241498770051 0.759580030693185 0.874102890741726 0.852720036236888 0.822357155481554 1.79685901899636 4.02014276483979 0.705242083080213 0.585928845509359 0.800993617015112 0.662430015578385 0.692503155757773 1.14338198721471 1.58955929492597 0.355550318762924 3.61736859540529 0.883944412304703 1.41523591160595 1.13688407189816 0.927571616626859 0.635090094832091 1.74160355955956 0.659909272567652 2.70571918922861 1.50606958216512 0.990489748495522 2.29817009510252 3.0239489902058 0.809542895609368 0.362496366170277 0.725941149825818 0.888035549237065 2.25806420458003 1.52257513697486 1.38576929503221 0.361420462831596 0.64335156445424 1.86761559924629 1.7703979779971 1.06081944429689 0.897946608538268 2.57051078366134 3.70446074932708 1.31747164647014 1.78599954220989 6.22289935667934 1.08165565491511 0.386461775008716 1.42464089070116 1.49994446638961 0.67924076379479 1.0005456780847 1.27525258134708 3.50321080848245 0.712991677684857 0.6045977966195 0.790758048268848 0.359786325983259 0.663108008526099 2.91180393448386 1.41574392341577 1.10161684899397 0.878773508825981 0.692874023694984 0.955433070409857 succinimide 0.84250796062196 0.875462168810459 2.93364890764672 1 0.641709131701133 1.26669215407136 1.0800388347561 1.25348230050656 1.12305889099607 1.10537197358029 0.44152904306533 0.392613347686766 4.20403338179294 0.997006906751312 0.651045570473512 1.58861819700087 2.07683446433692 0.868791846713382 0.897253899824439 0.844439637609349 0.98002927697934 1.76513021213234 1.24529782535427 0.993382673051807 0.89471821590574 0.617206173550353 1.00089597932788 5.03082842978921 0.461541702360723 0.601404356313284 0.969098543682503 0.697608381198478 0.493350372856601 0.893091971294957 1.06807476793012 0.967553751737891 2.51807547010828 0.359540494614294 1.94023059530664 0.480742061875939 0.520007864395354 0.738778490878706 0.579316640217956 1.43697670172876 1.84384681281335 1.12160602187987 1.46601036414959 1.43410338871178 0.702697768477818 0.46625753086073 0.630974482845788 1.19063013467777 0.985217745446375 1.38791410956788 1.44648419396969 2.33738817812856 1.21317567093123 0.86483351355906 0.537812293735167 0.482365497774095 0.699313269762804 0.470450938812195 1.83363714241577 0.48374457567374 1.17448284578763 1.58888311542405 0.73809597371045 0.362981167581839 0.819130141699552 1.5529231676661 1.73666633898353 0.251851643799065 2.22630359374781 0.872453550914938 0.616180993441656 0.364694482284045 0.468541014226129 1.05309871220526 2.25165784262783 0.328360975746767 4.24459393037201 0.764604603479995 0.795329110902018 1.42229556082969 0.489342339938489 1.48578370104063 3.47779572233067 0.962239667448425 0.368298060583931 0.710854269945371 3.60599660145772 0.351024477930541 1.76435462805623 2.59269172974567 1.39441627929838 1.84089485584282 1.60749364528768 1.16209642310447 2.69255269847066 0.751951353097308 0.898984650385496 0.467195640878004 0.90357970424256 1.51774685073097 0.431943488701953 2.55424607131321 1.57435083629418 3.52359459041948 0.373013889083938 0.590380159254006 0.436066678837755 0.558408583425787 0.604772002752538 1.30254890670861 0.443035094864269 1.72286432513657 0.429741458002724 1.05496931481455 2.85252573482944 1.87638013116688 3.11623576333787 0.691342143328605 1.07845576979791 0.625946887244232 2.60858342578679 1.39262712935526 1.07548415183901 0.367539708174758 1.3082674456163 1.1573103767888 5.46337579170587 1.02575870349825 1.5102756751443 0.916890193379864 0.970432682180123 2.78787197887848 1.12037018832418 1.90066987796144 0.703442077323859 0.446026373811564 1.00204474279214 1.48003707500667 0.536354571881978 0.735604645610684 1.78882694117151 1.03183394890952 0.672973162750853 1.69988062971337 0.602353701181064 2.30617776342214 1.17036808178971 0.494268821885489 1.25685396098698 3.34409257516817 1.0640555001615 1.80172454955271 1.83230581263078 0.924423160644319 0.668052298229107 1.20787001277964 0.429457778027441 1.0620472706335 2.3019029028045 0.735320965635401 0.950726754392124 0.912811942646088 0.585481764433272 0.334792927661606 0.731824118415324 0.718974258148777 0.939115536393894 1.03199966295449 2.57989523501903 1.60746274944879 1.40079205696069 0.747361916665496 1.30547558526549 0.933026247419495 2.71035151038522 0.972749870097041 2.04201834089345 0.545454800792057 0.368809246281967 1.03838948417993 0.655000210653447 3.85642141924249 1.93796958164225 1.0248121673431 0.742193885432612 3.32857443790639 3.37294086255565 0.588189363405283 0.948659541898971 0.468518544525117 0.622393865771624 0.573252629657197 1.34773828415746 1.14419930624798 0.954201131911189 0.414919881472327 1.54580308115775 1.88115213391942 0.901490022048394 1.39032960242673 0.680199980339012 1.28146109230834 1.60203912536689 0.957122193042819 1.18093726740349 1.15910514415718 1 3.78432738354375 0.552541182748887 1.16150097602764 2.02104287499825 0.672579942983134 2.47285800553316 0.394242139115536 0.358975943376354 0.959989888634544 1.17538163382814 1.51141039504543 1.45872175488365 1.49178030249835 1.34561208869915 1.26944261097926 0.807782942688219 0.6113331554482 0.908854466555254 0.327434100579999 1.00772115101043 1.23663684750095 0.7013214992908 0.335899560436474 0.666850169224936 1.08915977361776 0.81927900346876 1.27136938784108 1.14850787141714 0.354097209544006 0.332765037145224 4.76185487381859 0.843256983161768 2.44446472959119 0.373859311584535 0.816652857162919 0.527434100579999 0.276394174730013 2.23657786453579 1.24474279214122 1.57394357296333 1.70621146797365 0.490193379864339 0.55604926481947 0.411085988737062 1.04202957574396 2-stearoyl-GPE (18:0)* 2.8136419757988 0.632233381157341 0.978082729543047 4.76568785564143 0.283485616508296 0.46829914676008 0.96596471387856 2.12894734385907 0.853091140188145 2.31358590483148 0.538678031868648 1.92775440442672 0.734722472393929 0.533729020229151 0.215956668913685 0.736534574612208 1.66588055867022 0.849666144405657 3.46964220314741 5.3385707099476 1.28565810529166 0.20860935224729 0.110111678043153 1.08247475099963 1.02191727045695 1.1869924271457 1.32623147516237 5.71254720583394 0.998460682156495 3.14307734127241 1.54283968675167 2.0434245032684 0.217067633162902 3.03469393566759 2.10372454857291 4.0562319590965 3.47170383793929 0.720166202834768 2.80353064526568 0.282021357840916 0.662315707721183 1.16949893210795 1.26273975794447 2.13580583780985 1.62323267102453 0.516381334541454 1.88314542748042 1.46956857161349 2.68555666299916 0.692161284059284 0.927083554462494 0.55849381917028 6.63637563911721 1.55998809138567 0.887432528638923 0.970035337518607 1.74539745000324 2.26543576467543 2.034601773348 0.62303902660022 0.866912950618083 1.16076629344379 3.24564261212867 1.6244690958514 3.16833551226458 0.562517377516018 3.97438353504628 0.920732638664164 0.617931784350527 1.34103061290531 4.68411364960197 1.65958656397644 1.58910465342049 3.17713908484888 2.16860267943822 1.23123008219533 0.856807714711022 3.62426664940781 2.57836308329558 1.01801514465083 0.631098051906026 0.973565465018445 3.43053990033008 0.196967445472785 2.37480396090868 0.322148728237655 5.27402187560676 1.01885962073652 1.02867490777296 0.288136690181865 0.259238107565853 0.50025914180312 1.75864034690311 0.0930466636463659 0.541716652643842 3.75252397903048 0.871032813410135 0.163621772053589 0.722084007507605 0.288468578085561 0.597625525855932 2.85120807714711 0.401961814769271 0.48958488123746 0.801916251375316 1.13622367484305 1.60151187625396 1.04918671930619 4.83557983302052 1.26370073134425 0.51996116756197 1.86813643129895 1.90237214419779 0.635759497767135 1.90242133195262 0.883615041097664 2.43232774577697 0.3865453368714 0.314048799430458 2.2726472073005 0.139371173386836 1.60219636269497 0.200020710633616 0.689686881108019 0.902205423597178 0.516959678985179 1.52772403080707 0.233499449873795 0.598014368002071 0.305152546760727 0.68153258688758 1.79755666299916 1.18189372856126 0.133327292731862 0.112665846870753 0.417170150799301 1.27796673354475 0.886154164778979 0.264348974176429 0.358388712704679 1.21573283282635 0.830778072616659 2.26746437123811 1.51860099669924 0.927968934049576 0.901423597178176 0.893567018315967 1.02860811597955 0.330016697948353 0.901307099864086 0.937307876512847 0.923397579444696 0.744933014044398 0.23350669859556 1.20352028994887 1.60639751472397 0.622186266261083 0.254154164778979 0.584512588181995 0.189486246844864 1.4214008154812 1.32901016115462 0.505179988350269 0.64528587146463 0.552693806226134 3.3649125622937 1.05528496537441 0.465130800595431 1.61362345479257 1.23292783638599 6.98361271115138 2.32703436670766 0.616744547278493 1.89144366060449 2.33990240113909 1.73161814769271 0.518576661704744 1.13940897029319 0.793135978253835 2.23909546307682 0.593093003689082 1.26934179017539 0.74411701507993 0.797618794900006 0.250307682350657 0.628865445602226 1.28871348132807 3.28046598925636 0.890464565400298 0.551328457705003 1.42401139084849 1.87029240825837 0.470328651867193 0.791697106983367 1.02103061290531 1.3533482622484 1.27292628308847 1.77435143356417 2.58379858908809 1.17837550967575 0.534964986085043 0.48818121804414 0.65166215778914 0.269380622613423 0.762600220050482 4.13048113390719 0.267426056565918 0.225045886997605 2.47118814316226 1.36292330593489 1.21318438935991 0.299077082389489 2.50582667788493 0.764305740728756 0.864544689664099 0.735044722024465 0.160821176622872 0.2972726684357 1 0.579151122904666 0.963059996116756 4.69305391236813 0.3263633421785 0.658504433370008 0.848746618341855 0.497992880719695 0.370747783314996 3.22497132871659 0.476917222186266 0.511195909649861 2.46918180053071 0.408458222768753 2.82328341207689 3.24044838521779 1.75658844087761 0.606340560481522 3.7949388389101 0.983591482751925 0.959805837809851 1.84547226716717 2.30290906737428 0.353495825512912 3.74540625202252 2.7874757620866 0.980930684098117 1.90621966215779 0.351099087437706 1.98369607145169 2.10485586693418 1.61126658468708 2.65530360494466 0.548522684615883 1.97630133971911 2.50904252151964 1.41610044657304 1.99271296356223 0.924421202511164 0.796551161737104 4.1189810368261 3.07998291372727 1.5278115332341 2.22024930425215 0.364882014109119 5-hydroxymethyl-2-furoic acid 0.774428081268598 0.286405594478802 1.32486240188856 1.41292519321314 0.708763095702333 1.75017469660369 0.385120298567619 1.18607609182106 1 0.914737769094717 1.06673770989203 0.553725699146741 0.971131289360537 2.16497716996352 2.69919558347949 1.11868510830392 0.385758793449223 0.70914163503023 1.3011063502283 2.41916094990713 1.71094287680661 1.81852008081167 0.70387555595024 1.28423654433911 1.98503356052365 0.323809100933182 0.805195035854628 0.349659954561937 0.862127300579446 0.604867941004522 1.69379185815036 0.926572386386342 0.81869916894227 0.594078251152602 0.505644236248326 0.857207557223098 1.38909338483967 0.823464985310333 1.21445729636126 1.77666970080442 0.620287281042559 1.43001428264843 1.57699087538574 0.394313581836615 0.436753028587498 1.90190410644643 1.49181004817619 0.938821422492581 1.09703172524033 1.03087568175595 1.02886871063946 famotidine 1.72623233002931 1.14471620937072 5.54298229033567 0.90407849007911 0.780071524160196 1 2.16404991065781 0.559044731582781 0.61360067945432 1.2414830048212 0.843530440612013 4.09317080289251 0.642996463534665 0.982847987878525 2.15328201991474 1.4461634474172 0.317802485771859 0.605540358862742 0.776591642267436 0.338264927516433 0.159855063914082 0.884164149121473 0.996101504938321 1.25663250256929 0.701028648784592 3.5350706206357 0.395109183321794 2.8673356661378 0.272736926100605 0.76064494695302 1.8140738279831 1.65315440909359 0.0256482226079181 0.265677656928709 0.0788131883144505 0.122797005647788 3.96886171768512 0.539448510120376 1.65874879297551 1.66627627898023 0.67605977526834 0.0190124599081575 2.68790988378411 0.88279178943904 1.3251821791954 0.591065379587858 0.375600562605372 5.58300199023203 0.189303667181043 0.727265557808323 2.19153359642069 0.835811135984699 1 2.67754142694358 1.2280482996091 0.382911327556175 0.815200280681709 1.40174991383941 1.98472520205047 1.20346319002214 3.97652395574916 0.175136692613165 2.12084030639017 2.31281355469102 0.314256705777883 1.15100489640547 1.26645698335471 1.24497117113201 1.59531907362617 0.93788861531392 1.53617968597181 1.2215833056481 0.0999400756971246 0.925321278095339 0.598048268560233 2.11323333529976 2.16640513175584 0.375850195452584 0.395809024662111 1.17014403566893 1.52465931636617 3.75520518640184 3.27701049141033 0.943420280495416 1.07303375321744 0.33306983199461 0.832491391703123 2.34824775749597 0.165236452605465 2.09642658651921 0.302704666333409 1.85761054170949 3.68559301773201 1.14614140272547 1.90901441598644 0.0226749836217255 dexamethasone 1 0.820178712184097 0.648156027874078 4.20803018994273 1.96297058433722 2.82779595281775 0.146970193709498 N-acetylcarnosine 1.22156573296807 1.02652672365417 1.12987293286974 0.737590267949881 1.67083704127688 1.45224782467989 0.573620675485089 1.38835356575931 0.364381207731578 0.860542221049446 2.68613811572491 0.333079620166758 1.51533290037072 0.317119346722332 0.608075590102601 0.386060392188041 2.68539624249256 2.80115919521631 1.69946427582857 1.31376140703258 2.07439022873449 0.699976173236423 0.415740686771708 0.855075966404507 3.80452298794932 0.863043909286609 0.424486596652889 0.158450660430574 1.14786908985909 4.88732282045473 0.830501476552099 0.513697218658234 0.973473276345828 0.561058581402784 3.53344758148595 1.44196256442311 1.86420177084295 0.693480482112163 1.48814369047497 1.90059426782718 0.655030772753213 0.670921200564537 1.01311729186103 0.642260336466994 1.15371169638006 0.751278923141589 0.45703262492781 1.64890697777732 1.72519982640135 1.90541607291143 1.17113819887981 1.2195066107597 2.1260076752475 0.71718114062516 0.420472680424702 7.77440376722745 0.286989669513275 0.738038608613637 0.26823725604776 4.41797463682684 1.3956528573723 1.9113707117203 0.340130335681016 1.2196979793527 0.497988921125384 1.35198664520605 2.69706180863824 0.969642448287764 4.6525378550998 0.440477532985453 3.50013327455584 1.27634650017599 1.02983299672965 0.670280457507629 0.89466525874059 1.2007217329793 11.431015039521 2.72243523369181 0.69221266518356 0.418753780384036 0.756110980114753 0.853283509153228 1.18619651504123 1.38576320186995 2.30777024833492 0.686211892874596 0.69192048634961 0.521238496526318 0.327701629025148 1.436385320662 0.378576627743662 2.67436412659032 1.62891750304994 0.486648623342184 0.213360603357835 0.879475376671485 1.88954102293348 0.390769540954588 0.531623659992687 0.799936096559124 3.00708747253348 1.14804411046069 3.08783818418544 1.54923127919653 5.48037275868079 1.51725734633273 1.22780380618462 1.57564868827081 1.55438114472592 0.717683483181776 0.718792395832265 0.581126614245341 0.867405486127486 0.562859456854926 0.360562350279706 1.07360514508132 2.40342891511094 0.854071195951187 0.0989990739127018 0.397064200745654 0.299186000020504 1.29942521076175 6.7382487723363 2.77084465312734 0.311541234805846 0.982633300185559 0.470425009141268 0.768341483585017 0.37734810972255 0.474942674854509 1.04846922212084 0.609104019082183 0.814307536163538 0.263290719648428 0.231277487877141 0.165057120107713 0.94784351516767 3.03212941984561 0.574095527100868 0.698857597845736 1.96844297728523 0.902993209832245 0.637679450772138 1.10411818377536 1.81482013060907 0.848294256550103 1.64267382931972 0.357710616514426 1.10565084116749 1.09824043413332 0.34593632210068 0.544199310389606 1.8020975364711 0.76116003540319 1.44755475363002 2.68023675028791 5.17413858503429 1.46278735190292 0.400447324086129 0.759678637455618 1.06526181615629 4.05511415478302 0.825866540910163 0.425203927156912 0.504430524657502 1.21336231200599 0.669791784136227 0.689542048122367 3.25311571990473 0.648565248146971 0.995191864100961 3.07721551862597 0.392999326792628 0.609362024953098 0.934606617936021 0.615829258207491 0.701217240943311 7.84880855964378 0.610484606788801 1.15091976530009 0.826297120244405 11.4986006171637 0.662723106732415 4.0648790789703 1.54788315580479 1.31935488280382 1.20098486479467 1.20297031394701 1.95726158378015 1.34689658236197 0.197899046232602 1.48883569297643 1.75461762163012 1.10615147507595 1.94430832214169 1.78173045050217 1.66694859361171 1.04696219445099 3.47201917786686 1.53762955824611 0.723122110248813 0.603113498662129 1.30468955571731 0.644565302823712 3.21250798793011 3.50828523488786 0.96751688998698 2.06401450300551 3.00070054574222 0.753763297554241 0.919348389940847 3.52455669123703 0.552525552833109 0.298992922779355 0.606330883131884 0.818281851764521 0.427502058921023 0.669226221597996 2.33084725027253 0.334187657409211 0.32948545769558 0.836461868099197 1.61088443045631 1.01252097365606 0.594775295681563 1.63836974462545 0.0779126470718897 0.658774420853709 8.70417320224585 2.54093750106791 1.2163900365309 4.86422398326892 0.54510831120634 2.56179667770453 1.60198408223382 0.11313130277587 1.63566666324937 0.239538801690878 2.52243455023255 0.813357527791162 1.12119270475585 0.441591571580397 0.344282350689781 1.27666260008407 0.371981245877886 4.53245064569814 0.766106571802521 0.629964904366963 2.86253754754314 5.39853022085986 2.67678186372506 0.282569396744684 2.08366908269515 9.29789938796223 0.711648537909777 1.79508182715999 0.372094016655902 1.83978689740251 0.645306856121574 0.539285238305158 1.9878310078632 5.48736625556592 0.614392285111865 2.15053873676225 0.150408879502715 0.889253970043981 1.78612167625218 1.40157332321814 5.40538702589285 0.311821453102734 4.39608343670655 0.307296952796886 1.5567049062123 0.913192130650072 4.08725211786938 1.00480813589904 6.04595750933776 0.921986542687157 0.622004312627935 0.983316759446261 1.91153474194287 1.8271651135055 0.64114629787205 4.39434574153621 0.801484131784615 0.315835067611207 0.511195062690301 0.936739010829412 1.67167300575131 10.7892638802033 glycohyocholate 0.108310853139343 0.120760192796962 0.917342137898411 0.902976654691435 0.151188360586573 1.26751857013181 0.134687791656545 3.59989516345552 1.08265786210159 2.43911649641382 4.75383068898066 1.41232724343813 0.363271411585717 35.4716701612182 0.0811460424204457 8.45134689389775 1.51283768234527 0.329704539933774 1.95058459158495 7.02835860490686 0.0741398928621655 1.09810047687843 0.369946750706368 0.187818824552207 3.92822532186098 0.0575562217932163 0.18395936944654 1.72137450937776 2.72595471572676 0.670471253052406 0.129815129703262 3.77704495186468 0.380924223634248 1.61009914724421 1.587927594184 0.487236765746357 0.470562281880262 36.2559086103139 1.25284400314808 0.861603771334992 0.248590916679254 2.57371354071436 0.206068001685335 1.25751047372229 0.428456725838891 8.77059567059647 3.97239071157714 5.85985086373429 1.44494041704097 13.7900922959512 0.657988250351774 4.23433711473794 0.265607237401722 0.556840314489908 0.789973050536207 1.25741507739027 0.175632596926648 3.34855434808532 1.46318496553808 1 0.29786709701012 0.437805566375973 0.641750999674063 0.440611808475964 0.312665453013332 2.87343291650436 1.38107257275958 0.323914270496299 1.89028626849298 0.9838581456543 13.2272936855578 23.6514456519147 1.45076356814081 0.899325070951022 0.335711616888331 3.77656191619432 0.289384773155472 1.98375877447512 0.991342782869999 0.655098536461273 1.14282023356202 3.10724932626341 9.48083726180728 1.24491815789683 3.94460255503176 26.163938596561 0.72282595734194 0.244469000166944 1.893378699589 2.18798642192208 2.03720854433147 1.06377642279654 5.03780079655937 2.91462028285012 0.330206453561861 2.81770555922125 0.463502953311445 0.665397365471298 0.417223807744592 0.982900207487022 1.04776573840736 0.528777893489995 2.11469421500743 4.24693738025773 1.42456932530944 1.87889833135916 0.222857756119277 2.13376155686814 0.35582434355399 17.9548139374041 0.0910398995158636 0.355677274208807 0.474449682409711 0.795951220675565 0.185211978599423 0.375154025327726 0.191424664721642 0.188713818953661 0.301981063828096 0.790533503986772 0.327642677139064 0.947659212503279 0.285187334546987 0.650018681781686 1.17604598103203 3.61341828906679 8.21773417812085 2.54350867709137 4.56647931887019 0.49417684890016 0.883536978003196 0.115592530467204 2.95112925408018 3.31246671065498 4.82338959067024 8.93582609248674 1.17614932705838 3.68399567536628 0.259231582545651 0.59219260519433 0.95097820988783 1.02687791654411 8.10289289376824 2.31459325388939 17.3950123617747 2.92452162714344 0.158556653496673 0.118207979903173 0.984915455000755 7.44764331311461 0.363785962429745 0.255165313893681 0.152610282134652 20.3721212169392 0.504499526993187 0.52789945226606 0.961909039597428 2.41708468809374 9.39669769697355 0.429335167062826 3.94642700988147 0.79541859115517 1.46525983575932 0.885786741499789 0.456896757319681 0.552988687584962 0.787842532454627 1.20292787242331 0.363984704788101 0.242048318242164 1.21473316850967 2.95182087748726 4.91066530991883 0.164749465383056 0.861981381815869 0.271963018021957 31.5628582331009 0.831704970943867 1.03376632668474 0.763858304648186 0.885456829184918 5.49286514933501 178.534112138388 0.3737787282079 2.86196150758003 0.935929438513089 5.15227639497261 129.071451852676 1.12422987336137 0.209180307017195 0.16957095499678 19.1202033531811 2.37420801170195 6.22801313289504 13.3567147093194 0.336498636627422 0.375901296595146 0.514714884212702 0.573693666478524 2.01121304385846 63.9115040026711 5.34882463769268 0.524230668330803 3.99116391474748 1.97008927506737 13.1849973368524 1.19803086071341 1.26556748893005 0.167674952898061 0.61711887177938 5.1665460963026 0.689604184719098 2.76216104490782 0.107094307223887 0.394932864831347 1.83716243610433 6.69969632167643 0.431779698070609 4.1856134381633 1.75016098131027 10.8694024214769 0.699183566391872 5.30187374295458 116.673824041466 1.00797751826442 0.963856714709319 0.818929812148723 24.9306071181563 0.447567791018435 0.38072278620887 0.310940369342799 2.29657129683364 0.116276204179949 1.15911710694724 0.488441144437996 0.304823079552591 10.4672870078146 0.186638948732421 0.250375623057293 taurohyocholate* 0.117290772460948 2.86441025580493 0.235385684544141 1.09217210653596 0.143210627037092 94.4956760896092 11.1844356931757 0.438616112597253 3.42069043870612 0.154803516967346 1 0.564216819649926 1.51052537613815 1.24158567480594 0.697543169018345 3.06277595007933 173.89973792663 0.98148758319689 0.854916790437617 0.199535668844698 3.45074085151034 1.31033136820548 12.2224278030952 1.51667486173982 0.208239343447912 0.524511717264907 0.429881433343641 0.610879339798148 1.04555615821729 0.598110233027328 0.448566200138894 0.414603113451917 0.263639727687012 39.2422683286613 19.3161253694119 1.31476177682704 1.78282887166515 0.176826022821167 1.3710391183791 0.408854734302211 0.20285087163474 31.4977569155434 6.38660637796353 0.168842162891019 8.89360429455627 0.395163048161685 0.736304512021412 1.80231455901213 2.13725142315471 2.1577560031023 0.676392613282101 0.267907924551256 0.512751364859864 6.61190837063359 0.47662376503627 0.778079108646394 0.354037298565947 20.062527563326 0.284990850243064 1.20942551692325 0.390109138097966 1.86501447233022 0.636924465081385 1.94595813922838 0.518200666082028 0.58247200579907 0.271780730257055 1.5549872511697 4.86968819858774 14.5320038728057 1.79707816072144 0.293233235161426 5.04144510399294 0.683139608562753 53.6157507616349 2.46223254069234 0.381288873794184 7.86689004577413 0.431898942075195 17.4443791091533 0.318300020783381 0.495222356835451 0.499419586055872 0.62093139963401 0.206627364109635 0.257921763241802 0.596554013980626 0.4908882614448 0.510444916435599 0.500960597750326 26.4399689770014 0.404535846263807 0.144515468411795 8.4605698701799 341.880358690748 0.668738245983992 3.7832546775281 409.545563761893 0.437677735929397 5.33548939794093 1.80568552209375 1.39047411455192 44.6212507540312 0.478752794350976 238.666898156362 1.66873824598399 0.538578518094215 0.556163286410203 1.27655076974548 10.2198070693911 8.99846912654038 0.661641481601638 0.533397880095097 0.673381557537017 1.53824902546218 1.39714507307133 10.2366973686212 1.43444363901801 237.931521292828 1.01851241680311 0.275136485986425 24.5519407116027 1.0968302808798 0.186345825328352 5.82442098006316 2-hydroxydecanoate 0.603248293980237 0.546273373444987 0.483760368284098 0.638081169850526 1.08869685162977 2.04586786977119 0.63757971290487 0.681863802234792 2.25393426796477 1.00274036662238 1.99569864643388 1.02388390904071 1.47320697892778 1.2382560180348 5.53407885226652 0.415056355084457 6.93999942648619 0.961681189555872 1.26970957407776 0.596499948163175 1.83071195857172 1.29005754990489 0.553030542551416 0.464096197382865 0.366278270370586 0.558652448426035 0.997259633377621 0.587314903932761 0.522215204439291 0.718842207969342 1.92807989782631 0.457646372856033 1.02065752622907 1.39221359418898 1.16440067439342 3.19367634851111 9.13257056511694 1.24787629762335 1.95272636756617 4.0376814744437 1.18183730494017 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8.08076832975191 0.0118032840836784 2.44427868158562 0.808803475431191 1.04536559327124 0.112679891400002 0.00501750757468196 0.021501189612265 1.03203453105461 1.40600095151192 7.20908723901106 0.0652620654835438 0.49865895524703 4.64973598824208 3.16836001617504 0.00386597579948738 4.62295523057486 3.39809966681517 1.41404722002974 1.24440558690262 0.253734473027728 4.88168263953275 4.32076925480206 0.973722905453538 2.85039782159585 0.155306802554161 0.413621163279467 1.20099516272155 1.77155219523183 0.144287031497402 0.00997920082560726 0.203879940498818 0.0547316148229057 3.71797277928759 3.05373029251264 0.144292257141259 9.28067733683844 1.2173895640779 0.0252608735920086 1.17111115089024 22.5708144232663 0.778645617624963 0.0224800527723319 1.01925394038563 5.33159034020832 1.93744748644863 6.3451983615494 0.0533000107737211 1.88385528435452 0.103343667136715 1.23742212539833 1.38993543216686 0.11693501089102 0.265881426582984 0.0319200116253898 0.0427542167332455 0.645311090917642 3.8241424079122 0.477478308852674 3.57946330858639 0.0230662143556887 3.56915956192205 0.037500888081496 2.95329730900466 0.171473276891191 5.87138923297221 1.600989292211 2.69599505542907 0.0245784267409761 0.0843711332320151 2.00506965282935 2.07874600557899 6.06283836738878 2.70761944459856 0.0857011151857544 3.67140784515906 4.0018562154086 0.677103129860474 0.0178749263267604 1.19143479169194 3-methyl catechol sulfate (1) 4.39651080114599 1.22285597774943 6.59444467680211 0.638919676279303 0.793544407034861 0.858199669587403 0.153866663878375 0.831468663083711 1.43266797716389 0.934947405842866 1.0935559087392 0.504114473326502 1.37366946192936 6.57769924088751 3.81523034776972 5.58162550450658 2.89634873167569 2.65937702586838 3.44076099458374 0.70668039900458 3.0100953595851 0.376408958782074 0.182103348041573 1 0.519579037621029 0.206267383257701 0.744233463685983 1.09806248562287 0.515563897195675 1.77973088970544 0.869066622492621 0.659214806336968 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0.255037347147762 0.172485844226251 1.4965250587314 2.65592810674056 0.92195500271068 2.02183603397386 5.48751204746702 1.63996897777242 2.13415983976869 5.18527874826818 1.25164146738148 0.575029365700861 0.355208270586109 0.150141557737486 4.08517935666526 6.12949521113186 9.13627567616409 0.138500692729354 0.790799500030119 2.57761580627673 1.85189521715559 1.39772076983314 0.355629931931811 2.25373847960966 0.167286609240407 1.13383982892597 0.68268477802542 1.7071976085778 7.58333835311126 1.74826441178242 0.897909011505331 2.05079136798988 0.708014577435094 1.87126528522378 1.57954340099994 1.27676420095175 5.51048882597434 0.592415366544184 1.92403319077164 1.01158062767303 0.822676344798506 0.271500963797362 4.88101996867659 0.455149539184387 0.285788506716463 2.34432413710018 6.90287859165111 0.416292693211252 0.218759412083609 1.55882552255888 0.819299289199446 0.689194175049696 0.63495045479188 0.877002891392085 3.42490286729715 3.5660012951027 0.371329287392326 9.83522453466659 0.14175350882477 0.689307120053009 8.66782874525631 0.502394434070237 0.40398168785013 0.482049274140112 14.3830642732366 1.34811155954461 1.96048054334076 2.22910893922053 2.3247658273598 2.17566712848624 20.2996016806217 0.632646376724294 0.48708285645443 1.56376874887055 0.485550569242817 0.510165050298175 0.196467833263056 1.31463089572917 0.179262544425035 0.657226974278658 0.268858050719836 1.02126001445696 0.527438106138184 4.6954475633998 7.62567767001988 0.0772092042648033 1.29117974820794 1.90204279862659 2.17893500391543 0.779719595205108 1.93911511354738 5.74087780856575 10.3890352990784 0.104933437744714 1.80324603939522 28.1667896512258 2.25719836154449 2.81637401361364 8.92579136798988 0.21871046924884 1.14152761881814 4.90869525932173 0.891885277995302 3.0167648033251 2.40979082585386 0.949351695680983 3.37023372086019 6.83725377989278 3.52901933618457 0.224798204927414 4.28493765435817 0.172293837720619 0.641945515330402 1.07353472682369 1.06296683934703 0.988419372326968 0.211380338533823 4.72204611168002 1.54388289862057 0.188313204023854 0.979078820552979 2.13211553520872 1.17149945786398 5.00396060478284 3.98434205770737 0.867150322269743 1.43445801457744 0.946433949762062 0.773586681525209 0.170407656165291 0.456779712065538 0.887721372206494 1.65136136377327 1.66074709354858 2.48679296427926 0.228197849527137 1.86810282513102 0.163036112282393 1.01779636768869 1.53913167881453 0.896252484790073 0.974873501596289 1.6672000180712 0.866483946750196 0.913100114450937 2.31974730437925 2.74539937353172 0.393285796036383 4.10838579001265 0.227892898018192 2.04307345943016 0.427726492379977 0.857339166315282 warfarin 0.0749786636886362 1.92502133631136 1.77010866704752 0.141021070569991 2.82337468307487 2.37223790533499 3.48707746491561 1 0.0210363086130209 4.98025664489081 0.32520701699004 0.22667690688047 0.00131029094230189 0.0181034460861486 3.00892830824465 3.01182203600835 3.82053657097838 0.233164298723061 0.0129092735684164 3beta-hydroxy-5-cholenoate 1.25639310066612 0.78302323064359 0.678539450768943 2.08466738165753 0.993230545196934 2.43783023230644 1 2.85434848917182 5.92797614947901 1.06586443379611 0.825627502878002 0.553963771609615 0.996448004093159 1.6491985870731 0.494957346531146 0.54341601645135 1.43829268052699 0.822065667647319 0.982918933810869 3.20549427843319 0.6193263998898 1.64500703511655 2.5374533862033 2.39745687335976 1.89581526095598 0.585566987668691 1.34252050642919 1.52221941604717 4.22670722199651 3.50463933940199 1.16366710955429 0.528324676893345 2.02742975106787 1.32663145527018 1.96908937179501 0.866727426456862 0.604794167060141 0.491923706200793 1.02079741734289 0.455127430849136 0.571654459805203 1.10770953892104 0.477989216967354 1.40638417024454 0.445749925880376 0.796593791520715 0.70576156540645 0.521560574948665 1.24176174109741 1 0.79358508383753 1.71161427049819 0.526205404693145 0.98252973020457 2.27941450987713 2.70635452239511 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1.32047129099913 0.649891840252995 1.80712426841186 3.09847478285696 1.10599655206492 2.01035478593155 2.38059054123796 1.57710087955287 1.6120523998287 1.50500170200617 3.76505726427215 0.968134052202176 1.62822694879707 0.647750606682845 1.95045514939222 0.80810154937465 3.90888227607638 0.40850344244474 0.850893278722727 3.83319241454282 2.30544971395316 2.26438195214618 0.741833115549748 0.606024003777356 2.69706486290615 0.929075755745643 1.28131416837782 0.89040178326324 0.907410864289714 0.892751649847918 1.06655393163425 0.421361824550616 1.55915844030351 0.84222951827735 1.14842591880882 1.52002327905215 3.83276416782879 3.99597008861413 0.933259396721167 1.87903677431398 0.500247065411941 1.95557214859063 0.40302408064215 homoveratric acid 0.486783356728641 1.02510732511838 5.00827907395509 3.0272763360903 0.545985078841503 0.974892674881625 2.04077653376251 0.945574546776952 0.273156351312664 0.394882428950565 3.75877623973816 0.96278270827369 1.06346283300191 0.526682709047439 1.90959525228062 2.81853281853282 5.69368079788922 0.636028814385528 1 0.45611686693851 2.48983681649012 0.739161721125649 1.55623989291324 0.21762443806532 1.36529429515402 0.624871364350322 0.872749359723308 0.616042896604019 0.544138469990173 0.65313638860733 0.64938370950395 1.71751998204904 0.872308323210127 2.33093213453935 2.8528253418033 0.744276197182009 1.46424122376026 0.730890352132837 1.07445005841799 1.04760873097546 0.505814718239568 0.672480095325787 5.69029951795483 2.97612986590943 0.277736941063594 0.804396437662971 1.56079727021611 9.09187486942998 0.255058379306876 1.43069923631046 0.952313894197662 1.17626759310126 1.57535921263376 12.8751634543218 0.321755480072113 0.48742272189166 2.29556410117532 0.68562607841165 2.97581262911924 4.50445292128659 1.65778661570245 1.39702571165497 0.876579413653562 0.900581084949823 1.27541569625738 0.494997717442607 2.75035785857429 3-dehydrochenodeoxycholate 1.17253897436272 2.34693411415929 1 1.27970908878488 3.84472730724576 1.34109135517601 0.27555367326523 0.81225302849966 0.993358987652338 0.496657003702108 1.35552271283471 0.450747066426188 0.548435695039759 0.772385632607759 0.746968871623743 0.588551942693996 1.27208639712594 1.55852353795939 0.917165076050208 0.955191786723525 1.32294766664963 0.621408261469598 1.1349083235365 0.595722203155919 2.2385974340813 0.153927958583122 2.50478937414658 1.45657463727373 0.99603794113137 1.56268537922876 1.71717792754967 0.767899875136 0.539635338702729 1.22589139022556 1.7910752177818 0.910768773631964 0.471063774299822 0.506878931823311 2.70085014637283 1.34623583361403 0.334916840718378 1.03112498074506 0.546267170862288 1.11726394767809 0.293695302077134 1.54840413828125 0.449732212979655 0.422724657279726 1.29506789472449 1.41669629530557 0.239310354684363 0.347454563195637 0.764888589553863 0.82235220984946 0.572423186246477 1.04490243017184 0.76633123224377 0.815371202586311 0.960542063815412 0.801644217421922 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1.03233753463022 1.06375242021133 1.39927059731513 1.42554095130781 1.00401614362341 1.7492861336029 0.391984157750578 0.989245995104967 1.31415432571364 1.09086372761156 0.306618035115716 0.609632639579121 0.16223731013483 2.56273651814587 0.204890551660848 1.23606140900808 1.01357541592874 1.2419604342538 0.581276664672211 0.523543078217666 2.03952692753632 1.94105703573276 0.424055431639716 1.06146917701081 0.91578273335266 1.29401661474082 1.28706807399614 1.19702571401197 1.15791661645237 0.328813135247576 1.75822924785134 0.569859037081881 0.967859734759131 1.00902198671449 0.782647069358541 1.53789204423845 1.17502788326946 0.86789603020939 1.67918209782056 0.530280586592351 0.716007069937292 0.697316236417659 2.00935847394659 1.20134446676126 guaiacol sulfate 4.8947703363229 0.329774348600116 3.60378094708323 0.625828149115035 0.0826575559134927 4.87902200307279 2.85227735925965 0.596576267525406 0.078235341252597 1 3.60702444643929 0.251349716121225 1.56241210441908 0.340475690012972 4.62707538087601 0.277975907755947 5.79621696258421 34.0849534378422 9.9617840756143 1.08368181886804 1.42577054884004 10.1902214242829 0.0981411137059622 0.624789950610087 4.20025153668476 0.909208727835217 0.450199568694715 0.406681167381057 0.347709401967468 2.74591427081652 1.37934774656344 0.141305319780236 0.734849443797345 4.44134236511839 0.173974895105951 0.810561697332375 1.03797181659973 0.246421840608633 3.29298246100982 0.26663150911922 0.783024455775044 1.11091114485002 0.139495896281534 0.0870426858885931 0.104113710610825 2.31089227079823 0.8935231470816 0.151116760990666 8.12256809230522 0.115667961019532 0.759943710916141 0.77735224809386 0.451153121296314 0.388139323809339 1.14685178040596 0.174287435155142 0.340958635295032 1.52484463602224 5.64791344581898 2.25286344345973 45.9256129209538 0.409066206287835 0.289247064113489 2.86658210351307 0.0790212138790895 5.1843967103638 0.108320403682661 44.0105550359024 0.274282161523025 5.38319376712196 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4.75351654116347 0.121402342047779 0.275432368443696 1.44807942645087 0.31440728538399 0.123329715806741 5.19071951771247 26.8265302553826 0.279223832376215 4.75314683179612 17.9668305193417 0.595788310855633 0.78274911666662 1.17740998048756 3.64716070422418 0.344768973279339 6.36922530344202 0.307140775445969 0.805893145110927 0.578479695128552 0.484944335425207 0.0848355320678467 5.96465445219453 0.0665832137514121 0.0651310220021483 0.898816763488702 8.62962948570985 3.98133800373595 0.409167237976813 0.0405470144303228 1.41983052211734 1.62549995420267 2.30097562194164 0.825324536544883 1.3196914647652 1.80228431538541 15.6566288167912 0.163584737553534 95.3358187868981 0.247586480627729 0.331904641628942 6.59655215483384 0.97163951671325 0.344129475995259 0.325549637368402 4.48278270137642 1.0046602254339 16.0387062392619 11.4507817465715 1.12068679343738 1.03495973998218 8.38399258360789 0.201267337065585 52.6578040040746 1.16259051911969 0.113995942078866 3.51068354599024 0.823711360236259 0.170051875886456 0.157469544774524 1.07267786712112 0.0650344312665322 0.0655518023331659 0.748028633046799 0.104208080869761 2.06429057157845 3.53044134749627 3.05538923568417 54.1873538301835 35.8767491111154 0.085207461911886 2.08777100223991 2.75230971208744 1.33989891279911 0.562904161450859 1.00869372132463 4.14446421285489 5.12133073167482 0.496697318496848 1.61407560167979 34.6436751109545 0.146980012934277 1.99092269132876 0.13320861655976 0.0652853451314661 0.224521279105592 20.2192365446052 28.8260839395697 0.995339774566105 0.388688891787845 67.6238690140806 39.0082518464651 2.5947324741939 5.03314894124896 1.9518112150726 0.550053152660547 6.49893555899113 3.22449296802791 0.227173638500845 4.28683673667645 0.254664250047879 16.9980776223136 0.219186583879894 1.02994812411354 1.04835143484428 0.540888135160416 13.552344129476 0.83009745117033 1.60019540194791 1.13489118276466 1.1863884779465 6.13619071674212 24.8702825279017 1.29323892606645 1.39280843114996 2.06138174712657 194.340697729285 4.32589825220729 1.29703150023731 0.712232328475115 24.999660822187 4.02485934668025 44.4577301732249 0.279952148727528 0.929890114160257 1.01119730878226 1.35161414776717 0.555654305087945 0.355409497533883 0.038232167490556 0.278926288500984 1.16643860520757 21.8397271034159 3.05138349575195 0.057369345764302 3.04931401148542 0.155344548590969 0.565750812555685 0.323021624667276 1.85384045319929 1.29227079823361 1.92915236078305 2.20811084619591 2.24498519219613 0.254778604596942 2.8873835290591 0.0885115312129631 0.739276624209302 21.6319682027739 0.746771843245449 0.455612948709764 1.77046488454909 0.041183180999381 0.357465658940333 0.051657169502863 0.0561136662012918 3.6199298884488 furosemide 0.114874280447289 0.0930465387544704 1.42605814739998 1.1868675604495 0.552911421994966 0.61647959380508 0.813132439550495 0.105567625304271 0.0449175755503239 2.05399929734963 7.4045471082026 3.6110761713636 2.63163109166254 40.3749234781483 149.812100311503 3.26376872908185 0.199973490545922 3.93459392228391 0.921493167035663 0.229402916921337 0.140639365996913 0.517131378752639 3.42338425385887 0.343180815833534 0.353608726559727 0.0990664400820234 0.850255551815304 0.147349986830022 0.722697482720548 0.858305069577147 99.181253815819 2.74659341650251 1.41053821988677 0.0417863575298206 12.4135910106509 0.687351498750293 0.316863233251669 0.25968227300602 3.7065187832364 7.00973344438828 0.108649573831711 10.0483403624066 0.12804405315315 35.0191443683851 0.26592453755071 12.414052722626 6.35959972758316 1.02467297944229 1.59917108801647 1.10645417067953 2.54258181064995 0.256880949160494 3.4160809331599 9.57607721776839 0.400226720241528 4.39241707574958 0.686792291647386 0.331424720438823 2.10593950759537 11.7951711436118 0.136181302970178 1.11064415600441 0.120198746326559 0.314980858614776 2.17880077602867 25.5917097953789 0.168877019523772 0.686391734474257 1.65840975141115 0.975327020557709 0.145703688712566 0.237084963478312 15.3496936666473 0.134502190080922 0.204581932010369 50.8298714766071 1.98742502689082 11.1830671709565 2.45550523731216 2.5208924668742 0.345088276143085 0.874476650154192 0.357896749405317 73.0626092964113 0.0467883050594073 0.518291828409931 0.0124247302696947 1.34044939287587 0.351975852667099 0.420424754677376 0.392212458019635 7.97361597428515 0.393206664246238 1.20601201874917 2.78581289952747 8.96952422987832 0.0859698205798113 0.342942569742407 25.6126431790192 5.63248160694751 6.48944303365785 1.87854005453083 0.0743973251893036 0.224905530407734 0.630107892122116 0.0831868024954142 7.0832980608436 3.83310935895598 0.151037173915918 0.257154857586263 0.311770977300517 3.48827438030761 0.314151268640096 16.3494830147961 0.863394071170765 0.229829373356507 28.2346197876464 3.33811723890815 0.517210974913988 3.16892793665936 0.384065716326468 0.191896446343272 10.4131436720882 9.91912867288995 1.7727022456084 3.25307206266265 22.202400563275 4.17450488848571 0.137828279078786 9.45344895794455 2.47237216561561 0.712194179378153 1.24313678030815 3.84954033894812 gamma-CEHC glucuronide* 1.03856361766355 0.192180020266257 2.32996625835375 0.373278925371865 2.45073430998257 2.87933981225607 0.749441310652546 0.196584209031094 3.05821611364904 0.616518062643091 2.06066963722793 0.347514648979015 0.523714102975068 0.295244721885886 0.151331511294564 0.489307042904 5.02682316551637 4.15867537072513 5.03679221921588 2.86231099132987 1.97682901447351 0.100811713714057 1.26315293731589 8.78240815997885 3.81088726400977 0.263949003170591 0.77559754313416 1.42991809940796 14.2674583774537 0.744945969308927 0.509321110785325 0.54360815329433 1 8.26082854655694 0.574569645887424 3.30191221492307 3.24596706567252 0.32835689372383 2.01470191107788 0.353132968154387 2.1660417691186 1.78202967102626 1.17790392591056 0.355677092364501 0.374316000125074 0.484532009062199 1.97578391715536 0.628918875127562 3.02149856022468 0.468053474932559 0.254915560659596 4.47308487141513 1.23281436989576 0.189277156038671 9.86441665648069 1.50487647495246 2.56365285069828 1.7337254221967 2.90594983953541 2.64002774374558 1.05703670645355 2.66252974066989 0.740382784096239 11.7161752290422 0.659326133982962 12.6039296059308 0.149705364833097 10.191596715095 0.468161493614106 2.97868052337894 2.13485848131419 0.635192486447919 0.889675972381329 3.14229471475962 0.774456992930462 17.9332160288353 12.6648919386795 0.211824634513106 1.12132772015202 0.49666989775179 0.956070507773081 0.938767620547427 2.56942900756415 0.692664110224537 0.587348738313374 3.77501698451638 0.530400152363193 0.33685910100031 0.861198836809356 0.584770502940667 0.592058921348187 1 0.664115909730493 0.0441910111401372 0.526977665716292 1.04488460477954 0.15404032507938 0.248630578951707 3.75567311272887 3.03716126904895 1.8682683752569 3.05380751639468 0.545030998519007 1.50371953802116 3.70616928801476 1.81411121944564 0.40934532151192 2.04518023485535 0.804420806672144 8.41003038736068 0.161306002711837 0.275643777129034 2.53867779448593 1.15226938722139 1.36102970229483 1.06451273625533 0.096511849365106 0.111765224238255 0.736994408611932 0.539823361029702 0.748765602303641 0.168247624299655 0.172264213695063 1.17631491425307 1.27058111208075 0.554772578036391 1.2179106344392 0.169364764874599 0.293336100127633 0.295178102907692 0.269716962628379 0.26629731857836 5.14901461379057 4.39881350006112 0.827508378554312 1.40895020054521 6.59943261766219 0.151828784704555 0.258778649823333 0.655590961678952 1.97970954345052 1.84414609810939 1.71762779604936 0.640186929171014 0.203697650025157 0.439545070794875 0.741605100755847 0.299712044935772 0.716752276209454 0.562703423339426 0.274788155467309 0.632381158130822 0.954015310226811 1.59335230292987 0.560028539672703 1.72271604446959 5.45493204772152 0.588036646759013 0.634663763427717 1.47527082841801 1.25190809315759 7.1561864857259 0.270456037817909 14.9786833659758 0.516354881165237 0.170595609324855 0.995306872546483 0.155990346540986 0.265580984163893 0.50159896074658 0.598019847011436 0.204976818622421 1.88531827135998 0.735706712224019 5.23391161229253 0.702598986329952 6.17300613148148 0.173503585935968 11.0132550292645 1.85930850988229 0.164438544476692 0.822445713506031 3.20413825254199 1.75019258593881 0.527458064589486 0.503347157829507 0.840797518981441 0.149782114948933 2.35361336702758 0.39801757293393 0.946348826433877 3.31190394296614 26.1222515641389 22.2333118243502 0.793041891350262 3.83390422154063 2.00973589432362 1.19398733907348 15.3277144668283 0.707539419712272 7.154219408683 0.305161303160115 0.722974720785921 2.43315491300232 0.0897549965746708 0.470645923289681 0.114155848216697 0.0738535096122414 1.10238181192811 4.48872199686746 2.39672134875537 1.01500606894435 1.38435605231515 2.3719140057591 0.614848020557661 0.075311761813122 1.2714822152926 0.843401337726093 7.89197279066264 2.73730993686592 0.18060155035234 2.47806225855693 0.551293239451834 0.139321358420198 0.523026456049188 0.868561162735829 1.43017587146914 0.172338121214016 0.176840794676385 0.541111057417615 1.93668115443545 4.67422986943953 0.20194945294223 0.516036510314363 4.50543646653837 5.16679505729254 0.83945012805899 1.16452097978629 14.6666287653749 1.80993260202791 3.9414510320048 2.1066314942679 2.02034730848714 1.41259725234585 1.65127021441708 0.457271504956068 15.3246330918074 0.558550389293643 2.13748219823702 2.98127581433294 1.59168369855966 2.4862688357576 0.175953904448948 11.5412077057116 53.2203751659366 0.17702840607065 3.75950209073001 0.422958517983689 2.29650559565196 4.91031322575052 3.00881205033671 3.2340480569429 3.07621286502497 0.278563124127678 7.52647452606804 24.1460327296605 4.06264515010333 15.9132325727492 0.376854439141422 1.81398898777968 2.15556111441168 0.278935504319326 0.927755400223428 0.890085306332453 guaifenesin 1 0.0450869161830097 0.0419461968774212 17.5689455641438 3.89974723438574 2,8-quinolinediol sulfate 0.352308968568532 0.385239807048269 3.47921160168372 1.33608013027314 1.57948812486558 0.663919869726857 0.582103102719774 0.183220099049521 3.2131974235077 0.494757087720355 0.721374817670572 1.57895778562792 0.637909891613492 0.204940428296667 0.977595532014681 0.2884741985035 1.23508986312923 1.05921027154714 0.49979992168978 0.226652152025094 0.208434268896643 0.364977259916785 1.76940652040153 0.229767349801428 4.32271555748702 1.7433317986825 3.13482696453236 2.31481569130283 0.448020515556626 0.539256225017104 26.7661923591599 0.836783429213154 3.99288323601926 0.449578114444794 2.60557035226691 1.10774539712318 4.43574044034439 7.7153466518078 0.704791983098761 11.752479465081 0.466264215241234 0.484189510733233 0.796079325671553 0.286047442224699 0.457804990340305 0.808299162252753 7.49698161430926 59.0239964889484 0.231187260390088 3.18538438700739 1.9784345700898 0.477227646089437 1.25567426390544 0.819572391774845 3.97230744076176 1.20875697584861 1.02240446798532 5.16983421468188 3.0441850358635 1.28300539135748 10.0567964235464 22.2454810269826 4.43694521296507 0.58418563824981 0.266332198839116 0.730143841245391 1.07422690171207 0.890008562491126 2.6683734278793 0.258810975478574 0.352671368148394 6.71586728569031 2-aminophenol sulfate 3.15460125611049 0.371462245495246 3.63409058549936 0.767137048931357 1.08462925756593 5.86453307177548 0.492778155700748 0.663389283510781 0.235987407255066 1.92779737703881 0.766907658477164 0.826936767334799 0.688313742861211 1.04086314090902 0.735884577051463 0.74853269209473 3.23589248706712 4.62962142665043 3.67216149087975 1.13635284997864 0.959136859090981 1.80122921643385 0.234563604435937 1.6034313647941 3.06108905095632 2.11337425448102 0.870165002926706 0.58540443910079 3.42368416889465 3.43632437392226 1.58417047665754 0.488862697948142 0.481174162724842 0.816661656990081 6.76530983531347 0.534424388160289 0.85644536510595 2.58157893448122 0.578562298911367 1.42467470776343 0.618875519708523 0.433132061057488 0.407133167810148 0.178485903594987 0.227041003716926 0.163946307804565 0.552279371795437 0.864109382422221 0.264185777738601 1.63365507514655 2.13574860064348 0.491290444219176 1.81786573033433 0.399557298935852 0.456016376021665 1.68923756494826 0.63081963359631 0.425805946102125 7.66828272143623 1.46320047404273 0.810231095832048 0.516740858271997 0.309484282643082 3.00189029436683 0.266712699741921 1.40657979147996 0.216747224548362 4.44677548102115 0.589037272099549 2.19521941616349 0.818889231688386 0.285615643410169 0.928247168231301 0.529492999544566 0.585486848742171 13.6250850877322 1.6977683752773 0.230336776019706 0.522470507000455 0.0973746455698062 0.449277917346144 1.96323720256022 0.224910749702499 0.201952977703341 2.66012899055343 2.11663018300596 0.411320218804022 0.275762606451486 0.194734599732616 0.452274964373338 0.951165763145136 0.401393724810358 0.235836259371893 0.249087908482329 1.82326237383754 0.425301541128594 0.101169925710452 4.11642450330802 1.72372319430365 1.07461765613293 13.4882738086493 1.40386188118569 0.626852953707377 1.8143789697406 0.632660956606481 0.584786558342026 0.853105518582181 1.06750211801118 1.32154592778684 0.630305434351448 16.0295689051474 0.202971581921734 2.24339743683919 2.00486775285136 1.19662979123511 0.882336521368652 0.199670912483289 0.68410046963531 1.99935357809217 0.862943864133868 14.7246879300297 0.340399900098432 0.220640447402314 1.00575413440679 0.529517485222893 0.701220855921372 0.829026302515659 1.82361986474111 0.24686460889026 1.53381717033707 0.766313583185195 1.12741367574106 18.2417568963913 0.690099460825363 0.670266061380699 16.0391183196948 0.267021219288838 0.515594928526305 0.249797993153804 2.2463504096454 0.315209034235875 2.75445761773938 0.340130557636838 1.52585442774521 0.516373573097096 0.868159313617465 0.208950984569125 10.4846695167996 0.257246536500801 1.06263926229548 1.12239411168408 9.03540139372481 23.7693204244837 0.429988099960333 0.533841656015397 2.24057668669595 2.53075646054623 0.462647097712548 0.548493885926122 1.03096948594767 7.56576118628214 5.80658762689703 0.416472005523969 22.1091326683023 0.245165302814384 0.650853815603254 5.21852488479488 0.738145258838106 1.93637641343578 1.11013168397804 1.19761901263951 2.55767601529865 8.31682019186978 6.07927972928634 10.6948105053354 0.985597524008208 2.82096561721049 3.60802346707411 1.13231570854207 0.53619717827043 11.6641544360703 1.72666147570286 0.497730177619111 0.111385350708371 1.16165934544885 0.301144460604992 0.252153515408837 0.872801798228216 0.501447103589111 3.58171605427985 1.44006150802396 21.6873717562598 18.2758703434361 0.6251536476315 0.959598630760868 1.24572357628023 1.92904540134475 0.770059891969187 0.46520340252986 2.60759741627122 6.88054416971513 0.86885960401761 5.10759496770339 5.08146385179309 4.94968193103854 0.221595388857058 0.56094240478744 0.350022771680844 3.30605628767734 5.01517622342692 5.00630751073697 1.22785882537304 4.0997350649605 5.9398925568435 9.8573562323397 0.404194886410938 2.94454483572558 0.718057208338843 0.680192555374362 4.70915421569924 1.15299141532118 2.48633454292584 3.94417755055068 0.468396334983668 24.9481785103893 0.379052991905035 1.0417480815471 0.306418675716573 0.590222378930564 2.33634996890319 0.84573532940583 1.06911817278074 0.887204274220009 1.45264714668391 6.95879060337609 2.1654252427755 1.67257261227908 0.749722087550992 0.182638674639204 4.44486559811166 4.67859119201179 4.74554483082845 1.72292006405454 2.04762464434552 35.8184582837498 4.98477480521643 2.3287594086219 1.98738987566173 0.806377050063418 0.703708600839369 0.756592768889477 0.22568939427329 0.557117741832802 0.338852405228182 1.0091576436942 1 1.51501706651779 2.49123657572686 8.65889491236576 2.36146737773077 7.07797219406369 1.8442563944349 1.24147775965838 1.7898590114642 0.935553694644003 2.83736612455375 0.839452304347187 0.866068236688361 0.942483141610472 0.14971523156106 0.431471932066934 9.18382378147022 1.8008824638469 2.38010097893742 1.48321996464268 0.252408166463436 0.934255953692685 0.121448964500664 2.89165087340415 3-acetylphenol sulfate 10.5069424658575 1.43681501320113 0.99128155450453 2.59990122893992 0.805041122950975 0.456208330959029 0.827112655991794 0.879841206526488 0.973616730298023 1.45487872053488 8.52379052937489 2.15440575911258 0.400934526183828 1.00871844549547 4.3392595969381 0.538549205082911 0.881096243901596 0.380655603619586 0.225676944433244 0.238694552764514 0.306028995858557 0.532212820616205 0.37134743766236 0.695693245243677 0.756334564054121 0.639706009411846 1.38029272338734 0.547373150318816 4.25140112089672 2.2862721832142 0.433186837239576 1.78155762019688 1.07704004930563 6.51749025119376 2.56183075957169 0.505843523739855 0.761242087194936 0.373190638842009 4.98619327116369 0.31018771852014 1.79287026743697 2.45250588960377 7.1743956316132 0.527201617409035 2.14702985409911 0.770895853373346 6.9445945245405 1.23465679018035 0.631066003882243 1.81364084073014 0.263243688475961 0.433417237387032 1.4959535974103 2.55501091520699 0.601885825206928 0.417911307463237 0.397486334391254 5.47164638185368 2.26862353191906 0.495245116956875 9.16126282320821 2.86277943217884 0.989557113316553 0.322421966350059 0.328596690301882 0.452045089308857 0.71168301547713 1.01044288668345 0.423417870987437 0.227036305303235 0.467677739313753 0.219905420739469 0.506811204359171 1.39385177206513 4.56484900150336 5.14522697294526 1.55009763206248 20.9909279941939 33.0656122019918 2.69552044513309 0.408407301380673 0.515013449608608 1.08187845240221 0.98104382786805 0.391081210291975 4.90182073716527 1.68999660159783 5.53760994407036 3.83363957352933 0.75098928063314 7.42727131345364 0.454095650621216 1.39240025113616 5.40688090040378 3.05304387394808 0.389088249016479 6.45937181399796 0.393742331995093 0.657435300758593 1.57575268848172 2.91072570286445 1.06153411938184 0.328193490043834 4.23480079027251 2.51359648870175 0.969466220458381 0.317226443024923 2.09652614177673 0.547972190702202 0.936311639239449 0.984384630006163 0.441066522282574 0.267056810916359 1.02081089331897 0.313862600872065 1.45972317422283 0.433394197372286 0.475188784120822 2.56619684236598 2.87754808163077 0.959823974287344 2.46479773747055 1.21188173560431 3.43047387550328 0.416482826549009 1.89568633323925 6.80667699627328 2.00476928305234 0.4854070306605 0.574687087799736 0.41443226523665 0.671973550063072 1.16595146620894 2.99049023391375 5.53572066286122 0.696534205781892 1.70694253244322 1.60669542828507 1.02010817286923 2.63144616412555 1-stearoyl-GPS (18:0)* 0.996699295804587 1.17726266445757 1.17195763120715 0.844800358844526 1.28822596853826 1.00330070419541 0.690303742420611 1.99350703363613 0.686622874982979 0.386581038541898 0.520275270227057 1.03706067885941 5.23780289059617 0.838961741529661 3.5486778390708 0.220769482441942 0.29982859434775 4.50400276263465 2.57195889861527 2.11741556967649 1.31579468012971 1 1.3318057306683 4.25963729628717 0.531181260128312 0.142000500008094 0.317719171713211 1.4370232611679 0.535719103366781 0.479536539260528 0.531021185594731 0.514098249791813 1.3579716218428 1.10696935741766 1.13670365167782 0.526425787467783 4.36486561832835 0.270004370574344 1.40376912575923 7.68766940472058 1.59109410044407 0.389299467077705 0.945321057355245 1.08396538792894 6.23192461748482 0.774176200693896 0.59622367987971 0.337598989911707 4.53513995730147 1.67075905904952 0.153619393119673 1.90777548557441 0.246083120050504 0.159615893063017 15.343737578486 1.21312215485503 0.325676135045351 0.617499204123808 1.48095023120878 5.70503659231894 8.6686097436829 0.250910536321631 2.7529672242896 1.98572998483788 2.37401144982563 1.30909672998304 0.222895694354765 0.735492121275344 1.34078968904173 4.2526155998928 0.23231850875284 0.56689946419996 1.78886888456828 0.413690149660696 0.740830337181717 0.349647746096609 0.363455523560633 8.30056781494664 0.158695014847363 0.721799453588278 2.81397360748645 0.713939614130445 1.47404364459137 0.872627434616747 15.8233100895518 0.820851416659622 0.663408220636665 2.75929286625143 2.38724008122434 0.963941862368276 2.60476158786743 0.479146245173033 1.16461237681905 3.84314854017421 3.19374414334045 2.25171090898953 3.19435386544027 0.265671566626079 1.96259831544036 1.34856679334737 1.02073055139382 0.309589543715636 2.01314409765626 3.57177544240824 0.262450291461552 1.07331053919938 1.82405110874097 0.478054500882209 0.84195607482855 0.201454699806292 0.945779697872807 0.586728921871038 1.32611319247973 0.214773260718249 0.322008809495118 1.07880882963933 0.715407263786644 0.547508862553531 0.96759839637692 1.85442570113545 2.53043844234889 0.310523012063145 0.987899084697414 2.3574428363049 0.296062346332944 0.508918309828756 0.372045590666036 2.10458262813607 0.787926423269441 0.292680996634838 1.5072330307505 4.0549433354137 1.52829092557254 0.404596477281107 1.01592112102534 3.32131815083338 0.944745508470461 1.37609781453297 0.749093060858899 1.29237883347033 2.81861037318949 1.28804063375127 0.149394504587305 0.265381993593422 0.8944389387598 0.79321967441919 1.27848112649306 0.244518346519998 0.242313274855169 1.03079006674569 0.748781904743062 1.39436609585407 0.458252022065105 0.389556665485592 1.12237428303696 2.88269594291994 0.756969087629116 1.07512171959618 0.547478286519026 2.18854082170395 0.663156417999572 3.67372673298669 0.724317479959208 0.660228313048233 2.4453363453725 2.59487114000047 0.717160889294971 2.5412551642023 4.2736087454653 2.94399729492024 1.22063126921119 0.26074522789038 0.279085452822078 0.946348052396532 0.188195492373078 0.276538649006908 0.47582065177314 1.08559131352846 1.37690538156193 1.03889451447955 1.07551201368368 0.351640584110175 0.35543201238869 0.343077495858746 3.58750231568497 0.342595473667739 2.68977195674031 2.99456286162906 0.491166223913697 1.87255549100615 1.28301896973152 1.95671332809344 0.934450377793885 0.428708378373031 0.729242020104642 4.63107316485339 0.259387292240342 2-hydroxyphytanate* 0.542754164914372 0.732580855593926 0.738016458275123 0.379250042886985 0.533570325763231 3.62402428522169 0.535921507923622 2.46646581978975 1.49708856176845 0.910821462196628 1.8820260787296 0.376323400573624 1.63309050789092 1 8.87014337162276 0.466260994989538 6.15965548124361 0.455852223209691 1.22517015662499 0.930828312639526 1.02717858714492 0.7123181175855 0.3918700045268 0.786232330992287 1.36474764379762 2.22151142342909 1.4592745759639 1.69078684278922 0.64372131663906 2.06324668536673 0.272650496025997 0.541259574985671 8.04872191045886 2.58670773107479 2.86354652133477 3.21747089112323 0.437523718314925 1.79797827991872 1.30751418225538 3.17571848219134 1.35813610123252 0.409719800827465 0.81410028865995 0.573040776794268 0.411482384071479 0.892096640873507 2.6880771587636 1.35143036176974 1.48137795903173 0.801776039998 2.70004172222556 0.275187474906141 0.669915571445145 0.403807632557673 0.70136224481294 0.576443952148034 0.33163289849363 0.943879362086979 1.77020957636692 1.44190942535573 2.59439111175111 0.126252649298441 0.789866183900377 0.85016879108358 0.737540790785519 1.14760958686822 0.887681693689694 0.77322508401825 0.780582281290805 2.60611420822566 2.11478045211549 0.933044159847373 1.32511549070462 1.04570297233914 8.20883813191329 0.212407944641178 0.381588896794557 1.1606890486861 1.17811114335562 0.797601930981315 0.452800278190092 0.298656934205591 0.667292762058494 0.521470596835336 0.614733447799585 0.469960154802977 2.31922690319532 0.661310794737655 0.603702053632711 2.52624271393802 5.80126700998158 1.46386279896081 0.5079220350888 7.00605711134426 0.717890157044721 2.13833228687158 0.536103244744084 0.543768563953695 1.3779175295915 0.560093367235131 3.87660156595114 4.51856607596338 2.19202159117312 2.60090191692718 0.397181753270416 2.14888263352448 1.23667694892627 0.477845561110484 2.72100910563206 1.35997288526954 1.15967539039521 0.917848717788288 0.729270546466832 1.9174780282334 2.92733824462933 0.528326624344966 0.544153401964875 0.791608644895441 1.22433446447621 0.869894254437663 0.870997205208267 8.64585502108277 2.36773158429069 1.36819471042669 1.39984323510427 3.6426829371818 1.53156410555503 1.3015366166765 1.92823211265693 0.657039218577615 0.648091105997405 1.69548497606867 1.10975209074883 0.740085626457488 2.9399530082605 1.26961203989613 1.01118262544414 0.691735006330648 0.520193462847254 1.07756403827126 1.26026714171943 0.507272463739865 0.987087489966386 0.824559456372292 0.988817374555856 0.669689196144451 0.467114114217029 5.00313498350447 4.15519473149217 2.27314192253626 1.70170337981468 0.787946395586436 0.534922949079077 0.69448546623408 6.55815094139112 11.4101873287054 0.671087692446517 1.63721786013088 0.458680376625618 0.900680037691488 2.42797256708648 0.49237571131364 3.27274482252963 0.95605017860068 6.58374707087654 1.25879255816352 1.06780977809247 0.459933615443072 5.3477970381936 0.987798685702733 2.21633807138934 1.69898813384691 1.21935043493927 1.06249247380728 3.72152819677296 0.839642968421589 0.55926206682536 2.7022092657297 0.930677909134841 0.855103772638709 1.40438520398458 0.771713400065837 0.607544145541711 0.263932849539971 0.824560085192572 1.87773155599377 0.464956631837359 1.30263893862683 1.18372839491423 0.723299269090748 2.5082163229797 1.44051721725646 0.880788565783562 1.66596437921762 0.698972098929779 0.365005648378163 1.6116764380098 0.40054594176684 0.261253446328146 0.500245397114155 0.808139701228621 2.94956829915748 2.44870791580977 1.01273266743362 3.91486968171318 4.80830508096218 2.6004397340216 1.92371152366612 0.436169868252719 2.22234519152136 0.45438364765439 2.43584162406671 1.30197176031006 0.445510364687465 0.944823850147097 0.715993635081129 5.99782302419166 0.980883549086812 0.732451119441583 0.298316113613991 0.69482691564596 0.65453022566159 0.556496515235215 0.380049544749838 0.621037999923913 3.59108131620888 0.7417677207057 0.914536721375079 11.4502381499604 2.01330457947801 0.611994935481467 0.752447604336219 0.526647045377872 1.25291937675107 2.09031116857131 2.52815306994777 0.609601016676628 4.01411890174023 1.25705701419153 1.69688221473018 0.635620971030564 5.31064948017 1.71530602010527 1.90814067590005 0.7213518126845 2.2468685536096 0.724535529760649 0.587710525099519 2.91288984106253 1.19510626905522 1.82364420845518 0.423099838739039 0.194650059942293 0.634804133487227 1.69897681508188 0.586996814082053 1.32191919722288 0.260776171735849 0.397736372757116 0.755657731864116 4.92066646146165 2.12512706099777 1.01885423285655 1.32829291957797 3.23970220329194 2.50687190522169 1.26457204535429 0.828611574254714 3.78062598430024 1.35577991164446 1.0519785987306 0.201408620308568 0.629247248675469 3.04567341778599 0.662731928569789 2.02224577503514 0.583689848231081 3.12955741427843 0.568483087406962 0.315105615082129 0.317966118534509 0.860166404710619 1.37445776041256 11.3982183635015 1.01688413892023 0.832862399345524 0.866516231895085 1.17651834158712 0.59718873317552 3-hydroxycotinine glucuronide 0.467347544022243 1.16150509731233 0.099321594068582 0.543065801668211 0.895065801668211 0.183228915662651 2.36173493975904 3.35406487488415 4.05476181649676 0.983762743280815 1.50565708989805 1.01623725671918 0.570861383263898 1 11.6621651732962 1.11928507282291 0.184329401278874 2.56799168124025 0.433952963895772 0.502062809336998 6.80615669248273 1.08750903112107 4.39439834164984 1.41920607161426 12.430097434824 1.10080419179063 4.11263411636811 0.222891444236625 0.335282479962728 0.580476573103127 0.459793786588701 0.586141702509808 1.81425262830944 6.28809782645393 0.435067083504953 0.788378044416235 0.160689808844084 0.207955489233553 8.84625149393311 0.978170007900121 0.281082249036118 2.21373540672118 1.83017441036064 1.74866812064903 0.325241898999993 0.282939115051418 2.18644960465635 0.950256247510112 5.03460523028515 27.4794833185909 1.48485134943518 0.485634609281629 0.934253438578248 3.62970040310873 4.13154714076395 0.347274458301542 0.30543082667675 5.80635250744435 0.233857082086982 6-oxopiperidine-2-carboxylate 0.901568726847803 0.516500607475579 28.5350521143839 1.105037941937 1.62106613451568 0.263315971788382 1.37154420173187 0.664192735758238 0.4671076665679 1.65094607925385 0.586590556699902 1.52272767839612 0.594723946675425 0.4555543259282 0.775930163512673 0.297327464440962 0.501828376546802 2.22583098018356 1.05908875093263 0.884439224477993 1.55511844286338 0.928746267981813 0.329394559255941 1.38345453095865 0.476050230674125 4.48120514587149 2.88534835541308 0.722657946625446 5.81572725119978 0.940911249067367 4.01658449979354 1.13390284912591 1.06488029577694 1.24985750205566 1.51674216975283 0.419710291861969 1.56897296920476 4.59736837518953 3.57197058157166 1.35272660729535 2.21159134875129 0.267183115774064 1.0789940570592 1.00605447986197 2.77443315498702 2.65910350476655 0.572951776782447 0.514367625786438 3.42041164886108 0.993975147702121 3.2378361421426 1.97807037417871 0.405160424545565 0.171219435682044 0.492962582129351 0.232321929625821 1.0706861395284 2.95496261698531 3.82332386413148 3.0311891109988 5.03825092803988 0.290006796911762 0.879197964412067 1.66322696456892 0.89518813503198 2.60211924223148 1.53593126405131 1.04378431133342 0.245480053678175 1.92868993882779 0.826331933285697 0.266606249673225 2.36165147527841 0.624156921521811 1.38778124400913 1.31648163962425 0.244362920232141 2.62486275466634 8.22016068596525 2.9253664232559 1.6092037156451 0.770585057250911 0.831687551194688 0.87843636173513 0.876067899405706 0.959429407971557 0.874748601404695 0.70469684030743 1.78527858624235 0.366083410306907 2.41383955802646 0.622957876575054 2.90888652642953 1.40447027658203 0.844455288520191 1.39098450652678 0.155607452203768 0.262878404991373 0.25708708761045 2.65389079628436 0.635209745725788 10.0575820422106 1.65381585597518 1.1237752487844 1.28028024190035 2.27763293190889 0.53741089945799 0.382845640391084 4.06404085118249 1.3409313511912 4.67973648895938 1.23947611495495 9.87166733473919 0.549171299604385 0.741834120497046 0.345101866536538 2.43719479251991 0.699536415761864 0.309733526202966 0.517715540528765 0.216218477143206 2.64293905435787 7.32460656337685 1.98588507990728 0.280712455776504 1.80349779536067 0.241760922985761 0.649356036180484 0.465797591453319 0.278668153854198 0.314662158629464 0.744085815367992 1.21968141654612 1.54187769044424 0.463066627163248 0.27756844838704 0.465286951672215 0.249847505184824 1.54731696265184 1.27660119555935 0.567547360532599 1.38110284250336 1.74691960473344 0.800547238536747 0.915538785966991 0.555806131162969 0.659457292737761 0.515197197580997 0.769997734362746 0.706343784311333 4.01711950365116 0.232438697084299 1.48929224977779 0.89587131180397 0.364288328482546 0.93117168301992 1.5560292092926 1.32753446382823 0.402917443664058 0.195623834503913 0.923512086303351 0.729212778194113 2.39947890343157 1.8941912546402 0.259922619773785 4.67050837414385 1.66857212569058 0.43724184806288 2.816532180763 4.3286324264975 0.400669234388888 1.85559176702278 0.400228306523293 5.72265462974259 0.91322957876575 1.59148294672267 0.392769131563813 0.463160738249185 0.348765227696544 4.03727844681852 0.585733456491051 0.587838756339427 0.26688684013315 0.942675891876819 0.629984837658377 0.238271841614528 0.461515537043169 3.55255581310236 1.68975409121804 1.58470172014152 4.7527910908172 0.942471984523955 2.15743216159222 0.897234179752174 0.469772913435229 0.757712752052145 5.7996026420816 0.381379947367504 0.762467104689869 0.262219627389812 0.521084368845745 1.96162359051221 0.303569250074069 1.60480315097858 3.56270238240471 1.16671953153593 1.73725230485021 0.212917617943847 1.18201258300075 2.03767231914115 1.25024312030534 0.464805939455201 5.03897767475906 1.39772042036285 0.174340786698967 0.213416058139737 0.916166193206574 1.28020704438906 2.1998727757542 1.18129455027101 0.410848916851113 1.21352585440666 1.70711235817982 0.232065738336325 0.326086198783527 0.401516234162324 0.908639049129473 1.2126265706966 0.192619250945468 0.311772599731609 3.87641820178114 5.8990763171195 0.278249882361143 0.538744139842103 0.992206207846076 0.407253524808728 3.41968315934401 0.849519859181931 0.993752069572492 0.751599017061991 3.93049373464159 1.39194130256714 0.459307412119417 0.54803150978581 0.857965457745865 6.1367137803029 1.30881855731191 0.241492532111051 1.29527876052214 1 4.94258875198243 0.335133062618728 0.902105299848377 2.14449537287161 4.93548336499416 1.83084403701703 1.83827184161453 4.45283814636017 1.04819881838303 2.54921486955158 6.59024381742449 2.43287439655623 2.94454939960613 3.115352306593 1.00308823785706 2.09153174506353 1.50187002213353 1.97258404642814 0.922382753272103 1.34252426846059 0.605718119869639 0.507448718172154 5.2501629516025 allopurinol 1 3.00758862707483 1.26698099761555 0.380194068544178 0.684498014245047 0.520880280740681 4.6709540483592 N-delta-acetylornithine 1.43429564940843 0.676252801769748 1.04616474698426 1.73031219636533 1.42740654044428 0.715634839809509 3.61114183590311 0.42859798681809 0.854817757812509 1.60790774299835 0.654327382337363 5.10073509552033 3.83408846167787 1.0415041922777 0.580735984135874 1.58908078567645 0.809491349444557 1.36482695966036 0.833659353906342 1.10316475750734 0.399673550708963 1.5374264992172 0.717580440168697 0.958495807722303 0.729291457715346 0.457407838290678 0.35407120382853 0.218952532729698 3.41324949167683 0.572815613442883 1.25838718616379 1.0762724448503 0.848487541259238 4.60017561849396 1.70255231431735 0.813153380889855 1.0318452182049 3.0044034544469 2.18798963368903 0.437545946668449 9.08764210979676 0.766119390793587 0.180073811698486 1.48272776552533 0.182360934750161 0.342793705956173 0.775360704552712 0.648826364291177 1.36703869544877 1.61401456927087 0.423240289009186 0.788812403929693 3.26183474793379 0.561358759012973 0.387418595498526 2.95625505877461 0.506115083873555 1.42325514045757 1.06995032190514 1.3975472832988 0.427758842181084 0.658583765881768 0.373792391602991 2.60986730230866 0.69510347746664 0.637981094106203 1.59622624696474 3.54917314561103 0.792562394647538 9.69484357711986 1.16812582147074 0.457335501644798 0.635025655877089 1.80582102519548 0.633637045452858 3.01625119739803 0.660559008517306 0.586806715824961 1.16544513503679 0.388473048334039 0.262588458939458 0.58944656077584 6.6126705131918 0.772917641292967 0.5118848715721 8.98801488115129 0.399815842039995 0.635241001878708 1.57874237935055 1.61176086197806 0.400859156289217 0.637160551582793 0.455854069668144 0.625353650114727 2.0772498087876 0.387979237675154 0.590876012683137 1.45641099898268 0.471756258029064 0.734515508624979 3.60497746292707 0.478755003081676 0.139763267912703 0.363203308902701 0.789844579592625 0.935507585377264 2.28359583268358 1.14790557449115 2.05265952311999 0.81594971299576 0.319476931987792 0.56178945101621 1.07925846718201 1.63222244499395 1.3890002747518 2.10536731344724 1.1511803188606 0.389382699547773 0.639080101286878 2.348114237341 0.45370803537615 3.72901675985951 0.156155554070411 2.70938314509123 0.973315660109752 1.0591867346863 1.14937958074361 0.606395776248079 0.365219393021304 0.85106967557011 1.86687161665441 1.46777978272331 0.474147341219452 3.16980403513853 0.649490966606518 1.05576347583298 0.460610246014243 1.37800277722085 3.95025878648815 0.948476612681652 1.39504110138341 0.834447191962396 0.698482181974797 0.862286231964772 4.59688342355588 14.1518597726243 0.64833626649439 0.620630889527501 0.549187997059413 1.25661075096349 0.740452375117883 0.855105556669414 2.63028061811728 1.04334395211893 0.862486726518004 1.11306036371197 0.255868178544112 0.640973660956285 1.71422100440345 0.272706008153445 0.997501243808802 0.839678614656894 1.26845106819043 1.11851455813228 1.38318593270809 1.00667943891228 2.66464315682387 0.760253068680523 0.947021170739676 0.919011339080844 2.29024556869909 0.499368813443531 4.6220640542969 2.30795592090119 3.03614471251309 11.1591406951963 0.471433239026636 0.704040336533821 1.95909911114081 0.267485724045238 2.30790394083183 1.93705213600956 0.648213742045193 1.08109633391997 0.464389939628862 0.962370142648162 0.745119442773657 0.900721780391633 2.10726087311665 1.16957383768852 0.467074338924904 1.46904958156044 0.71579525793253 1.58356538721439 0.791637891985416 0.938088024534593 1.42078608716315 1.36017361343165 0.691060170643142 0.359928564533256 0.869013938084312 2.7014561845144 0.905982905982906 0.52896403721773 14.5850208291564 1.00812745513006 0.690566359984257 1.88764508008644 1.94623775683724 1.40866359241685 1.00431434575657 0.375392635166745 0.280321088314138 0.514042044450385 2.28517751193685 6.09347130328885 0.75227041517224 2.75856000356435 1.68015178180252 3.17829163789199 3.07785871817149 1.04510013589075 0.884886423548457 0.259120645740976 2.59157403075735 3.06217930153638 3.20812448484038 2.26458226588548 2.10549726362063 0.445168452553335 5.7699139358566 0.230490766111965 0.818403914841795 2.10893166106025 0.751631802891577 0.744688750770419 1.37844089494828 8.30353390214381 1.91273288927503 1.42462518657132 5.1431011309378 1.36755107041814 0.590222548954087 0.359096883423556 1.00818686092361 0.902841824648949 2.55262239449902 2.26845478105252 1.45570184232217 2.78676661691431 3.98261266680033 2.28087059190448 7.74276548820424 0.862802319796238 0.974585458946884 0.936955601595045 0.602241083561674 0.500575493625016 0.941243957316937 0.992399771287695 0.920515048230079 0.374319618020748 0.652130811557397 0.536931839277626 0.59672005762362 1.6152880809701 0.730550171905515 2.11438214261846 2.4562661973609 2.38033816747978 2.19643639495942 1.85401026235084 0.479872574572835 1.56924859096883 4.54668181514402 2.50330073440412 0.21556877334462 2.09240199900495 9.46545181818857 2.29382476776048 1 0.757063720139307 1.01720540295692 0.799843317219512 2.73370981754996 1.23874074569122 2.78022826676172 acisoga 1.9019913680241 1.1148278302921 4.89275490325046 0.907907842068667 0.30327802103496 1.88765589862126 1 1.10825362223517 1.37354593802266 0.342760854177237 1.0088261640326 0.882365837921811 0.174763059152212 0.514304148735585 0.767685214765815 0.234059346400316 5.42937189533886 1.17321581818979 1.72451593908757 0.414081145584725 1.87232129993297 0.239474689768791 0.534991449457839 2.73268123704107 0.716319320466803 0.486954942088086 0.835976797649697 4.05937772098297 2.5704025958569 3.52703599997494 0.353049693370668 0.493378810942188 1.03416771590902 5.35092302006402 0.796913661448644 2.37139913278667 1.01041238630858 1.15690489478752 0.942203666337526 0.848636316244611 0.61937982594403 0.233023716505879 0.480762154172621 0.191998209149285 1.32945060134559 1.47008144690925 2.69246278771673 0.646986219035762 0.21667913720247 0.167071959080288 0.722882717677291 0.295790887513723 8.31468834904417 0.736157705257864 2.51099195957093 0.833653274128954 3.64103869341494 1.24972247946961 2.0267446995112 0.60989046371994 0.295126984808434 0.301068377378857 2.89986568619634 0.672332583056835 0.742684804141036 0.367119796873371 3.3568285383101 0.243170848384861 0.153031873462904 0.20851451386376 0.742772200109168 0.167688330645013 1.70412478304334 0.977635831733629 2.29347106120171 1.89793837510963 2.68831684564952 0.338099735665528 0.123924416286929 0.98308658027243 0.169036068469375 0.469892855609595 0.743555697297165 3.65143421383494 0.850250841761167 0.180486473557353 0.162723626350038 1.07217833683939 0.618771120692299 0.593355759854279 0.328199459064955 0.167027494464922 1.5929356459022 0.11715966170094 0.210506221979626 0.903784705398924 0.999926403395257 3.1205865036093 4.39178539230057 1.56472514734654 0.460437225162679 1.83876517163342 4.34111259667221 0.634539193258551 4.70579757253865 0.552109462683455 3.69102305413644 1.12513876026519 1.42644172682167 1.9090115975983 0.411444885342623 0.561382634881111 0.725943109824534 1.21305603768146 1.16780332533992 0.265763472778456 0.372381954112517 1.07021269418771 1.05521738597126 0.337388301819676 6.09815333852598 0.664776664969856 0.547278152234577 0.34509294637874 1.63830641946385 0.495870923821381 0.602009493962012 0.249599818461708 0.417939785711219 1.49860779756027 0.758155423763117 2.3478696849452 3.23025311098981 0.401838995161023 1.68979031100699 0.586926789777432 0.459261212749385 1.03185966354086 1.36283279464707 1.39926004746981 0.768287223016112 1.47687380022202 0.967530097944815 0.937921263899025 1.0552940491012 11.8197036510049 0.16823723865539 1.67866495758996 1.00007359660474 0.174313558334509 0.602866587754752 0.447102440340752 0.456461475243942 1.61910230541364 1.2920604596108 0.843521352214951 2.7132614948697 1.51606552551042 0.436926176472392 3.24262960668748 0.424241494992364 2.16826330411957 1.98482223353429 5.47612403481119 1.7181970671753 0.699466731268131 0.204156981557917 0.530576322745644 0.137250001533263 1.23232301549822 1.34896136791556 0.473187836934456 2.59687306425597 3.7664902392503 3.1748440671937 0.837193577469626 5.00927777198545 0.352328412582566 3.89579334073388 2.41257336661535 0.532839418341501 2.55146395912935 0.754366731881436 1.58148217428903 0.202514857314582 0.59587184377894 0.577265702142275 0.206676132007777 0.754622786735439 2.22528227364444 0.207358433864251 0.987287719793193 0.872883330982331 7.98259133645301 2.49663448859559 2.25825048604424 1.09538733279771 1.33165696622529 7.0338759038583 2.94150296532987 2.87878485872518 4.71829826250682 2.83624295465836 0.637417127156534 0.458341255190094 0.599240421708545 2.03941711489043 0.496695819099546 1.80000122661008 1.45111652182446 1.16559696046022 1.09538579953512 1.41761013425247 1.80232411944729 1.52939264401936 1.39363144046955 1.41829856915934 3.78590441027654 0.622538346897597 0.620410178410436 0.82838805036461 0.640448387314399 5.82483854744834 1.89559708312123 1.01748379341433 3.32570177429148 0.992278489552349 2.05120790427535 0.99295159183323 0.825404321347308 0.273590778345426 0.224687367756101 0.719018895928268 1.88364223463824 4.22218354993223 0.554148701939884 1.13327731813972 2.59524167285083 3.68568116724215 2.39707514826649 0.574715886440439 0.566669324321838 1.90520450656543 5.20623301911672 1.21291804404757 3.16716702136141 3.65257342794586 3.27554262163372 1.75335017877842 1.83764129014848 1.80496439764246 0.294308222580665 0.136737891825257 1.87446872450951 0.344435176723847 1.22135558812887 3.92787072756377 0.673572992499279 0.344982551471625 8.52374257134271 1.12988727453374 1.25017325867367 0.277963643277257 1.36215969236619 0.480245444676819 0.857481708177196 0.626658223500623 2.24783809973567 1.17205199600125 2.10487362849661 0.36704313374343 1.92179594114725 2.35884631189015 0.883846158563885 10.475329804785 0.826509803681057 0.399273846833199 0.912021392079779 0.132124304665411 0.202355398004305 1.93866642952205 N-formylanthranilic acid 0.385720065568574 0.341440423109168 10.7532377611585 0.199533678972592 0.986606826305845 0.927987186599318 7.6110432160301 1.23163808816721 0.385378041201423 6.92293189961168 2.75181961134353 1.32208267813422 0.650496978089585 0.891765971912292 3.05169990281503 2.30141523009481 1.01339317369416 0.783677929834953 1.65674100830452 7.47423346916984 0.829592615610493 7.07063637387434 0.79773429711907 0.607610459271989 1.75986552602931 0.660732682930899 1 1.14392003989863 2.21628718867368 0.434691447241193 0.714857148673269 0.182973872507608 3.06701340471659 5.20989526610958 5.73916273956987 5.55028549908905 1.25085242597889 0.361469327932091 0.570570692831479 0.656749687019715 1.13429144316991 2.45869169151849 2.18402222923389 1.14976233854798 4.6652688576983 0.667762521755947 0.606794980101579 0.541064031186068 0.854125741737829 2.62609288644159 1.2865881586581 2.46113446447292 0.536595792323586 0.723600240206007 0.575140713900396 0.95179594703254 1.2144652871785 1.60081018636322 3.18199676332584 4.02134372868935 0.768476015023054 1.862970615477 0.288491485918432 0.613573675050128 0.509837250251911 0.756445358222476 0.894879337194272 5.16313652047349 0.91451312481552 0.703518610876447 3.52560331402864 2.62554326252685 0.427006890655376 10.473806349174 1.66642917485165 8.49691091003471 6.34285336237519 0.850420869423607 2.16524341214669 1.46914472411933 0.342904253478407 0.821270445500718 0.95611151258537 0.501297723132042 0.497755702348116 3.07746643731743 0.85973394131238 1.05309977709697 1.47505827031318 0.562204195462549 0.327748882940284 2.32822725931053 1.26721900477359 0.856558336471618 0.989760710032672 4.02279921424137 0.513470875021629 2.53735915887185 0.878706144591802 2.35617665319749 0.299860558377185 1.44710887642622 2.23620596647294 0.354670276542255 0.566702968986962 1.33125019084164 0.447424401266171 0.661421490295067 0.597848324155971 1.41368359983308 0.838145935327586 2.08851998493623 0.752384248185732 3.0796852894177 2.47826440981588 0.600199493124612 0.731121945261529 0.397205060611304 0.515537053812253 0.393703752709951 2.48212195543975 1.43749045791815 3.03117588983094 1.85319952365927 1.23055705401582 3.00578122932549 1.03630571303525 0.687304705391403 4.42465572168674 1.6675182444605 0.325764129914808 2.4765850034097 0.670388502681961 0.637757127299006 1.7833565736038 2.92710358375149 1.07226536656862 0.866950299748598 0.918808333927063 0.840303718104001 0.623497440177508 0.823407871835846 5.73522376818085 7.15521786481287 5.0507180734664 0.703172551374569 0.885189671141691 0.316593553115044 0.569685187635498 1.18029700047838 1.54318110107991 1.28968233773372 5.53608688129141 3.48736373907114 2.91379047114983 2.01879917352848 0.517063786908773 0.505022951887551 0.905016844955165 2.89794298160796 1.10826573298456 0.556860629624729 0.472564606255534 1.25202292135289 4.26966177772802 0.610011297824914 0.816792028417592 1.41187187655854 0.695956192938351 1.28166189986667 1.82177935653289 0.790471149833586 3.55487587659925 0.399973536626327 0.591639609563456 0.869718775763621 4.97277325977873 1.36297570458732 0.372553410212827 0.453073313723295 0.268562529898523 S-(3-hydroxypropyl)mercapturic acid (HPMA) 2.03674718700544 0.280412514564964 1.74951160269677 2.45640945374863 1.62201237079935 0.215115099447546 0.172054978753993 0.712619490675524 1.04901364034249 0.970551236790085 0.345449064653948 1.02944876320992 4.17331292789111 6.18759673744804 0.241769708352898 1.63190785087796 9.13738891497539 0.195613989321925 0.579984116218269 0.634423749152189 2.17093036063141 1.13528460374602 0.465464368735616 0.619815307559869 0.258836078213133 5.2346220065738 3.97575490982483 0.449588583848682 1.36414857556861 1.87735788030119 0.203967966465702 1.31651874660388 0.302449090485678 0.314798043832639 0.640030274018682 0.728128962144539 4.23697829068233 1.45471187931793 0.600486454317282 0.130307656480451 3.01894066809843 0.30168577121122 4.02904494527389 2.89250782725697 3.15347245581805 1.54172380779879 1.2705578699511 1.83326648899009 0.449549771004218 5.53087561777111 0.293968483970295 0.829229953165834 1.76054415607939 3.76914120112816 1.42263953217585 0.524769063575439 0.343131420291355 0.230651797034699 0.228607653892928 0.670356043159883 0.408324061376045 0.972468755660207 6.67047895050069 0.734992366807255 0.585562915620876 1.6180233912076 5.056770253836 0.671746836753176 6.72916397133025 1 0.962655574818226 1.44605661500246 0.242729060470412 0.292920537169767 0.672536031257278 0.378004761042254 1.26343571299195 1.20695655548943 0.135592672134965 0.106017284653401 3.58394571376821 0.429638781794188 2.45081765725671 0.262077263435713 1.07174554299169 0.289323880249437 1.29865836934303 1.68821642042073 0.225192123580097 1.38496519781613 0.547079980334826 3.51876601029834 4.14525060159909 0.368301549926256 0.530836804926644 0.310806789660258 0.814461665847284 3.59171475146842 1.77750536911015 0.161558465081378 0.607330452557766 0.755032732165498 1.56761197505628 2.85351385618547 0.847827774471499 1.43075141666882 0.364090356301912 2.83572463580614 3.19752503428468 1.39378218231687 0.750608067896603 3.25857763862654 2.0630773410614 2.73041891996792 0.280164048955935 0.762504204724817 2.00906926798975 0.763286930421508 0.416093099076254 1.43048619556499 2.80818692265894 1.44440060030533 1.98038010712345 0.929237715734727 0.649209511734417 0.687892980050198 2.0495510647657 0.482657127332005 3.07996092840324 0.404429839314824 2.99364116231532 83.7824346003571 0.166869355965534 0.307565917147515 0.629052707842782 0.161235024710844 0.510751157916527 3.21419515098197 7.50714156338138 0.6086242140399 0.89340699148705 0.279957047118793 1.36935596553419 0.767950940564598 0.438015887391001 0.740257976039537 0.377726602323596 0.987418169586255 2.28029342510415 1.43985302869563 1.20504178849587 1.07825963205424 0.643238802494372 1.4906008228323 1.21618754366445 0.768119129557275 1.26042124873858 0.471750718037623 0.410200015525138 0.588726162444692 1.25071803762258 1.27780940305845 2.08003208528476 2.24818873392501 1.45887132248299 1.88400134551194 0.463587083085362 0.771845162625818 4.21134887572127 2.31215230160168 1.06028928506741 4.33340233394571 1.15869278339845 2.1436786813983 1.3179289466194 2.31053509974901 0.441095039718478 0.7048153802365 0.785384376536342 0.298748932646777 2.93001397262401 N2,N5-diacetylornithine 2.79514496426995 0.71652658087093 0.304085654015339 0.436560757444443 1.63796951907511 3.67029418017105 1.56552008895721 0.097288767517538 0.658925154939251 1 1.83488953935212 0.640810753356336 0.17976632381077 0.313104017791441 1.08155364413847 4.99147220904943 7.04770003106961 0.60102938531225 3.12785554265531 0.43742334799601 4.65683613232384 1.07207741239187 0.635361306886007 4.12689892564551 7.51277124589145 1.35887855052083 0.205505044723889 0.310642977450003 0.934218272202508 8.1665208575213 0.442954556603928 1.10775536116064 7.7070383613567 0.494837227974196 1.41226555133364 1.56112703406683 0.456709269649809 0.283107559306527 0.277809416223988 0.174110518797905 0.203486038109286 0.677070010176169 0.231041050105963 0.927268398793797 0.17940399391297 1.84306293353748 0.427781875215894 7.21741058508304 0.678974540905399 0.763791509900759 0.588705385900871 3.48252312977883 1.03257774499827 1.6134222736736 0.510026794133299 1.45089765014517 0.465503720370077 1.10920243107746 0.576185897136669 5.77765537329736 0.566803282514727 15.8549335748229 0.654309000774883 0.249516865366482 1.92956503879081 0.341863265896763 11.182321473584 2.97448022182181 0.412246879463744 0.286459159952573 0.803543920905959 0.58700624574048 8.57408064380607 0.161194252798447 0.455140832578679 2.95192460298937 0.283541680281572 0.185509695368443 4.7334403853874 0.462800967202861 0.220491443615621 0.811764211626974 0.188613893738388 1.11785217480605 1.04574141327383 0.93898499715254 5.39122702193011 0.834207799240055 0.360703182620223 0.504490584709606 0.451672532745792 0.986056781156349 4.22495402052039 0.489226331070925 2.60962254815008 0.510180837059927 3.25874076909432 0.353850606368975 0.236502572050078 2.02101985753363 1.58858868671403 0.457857589648315 0.329311101360246 0.979428267343833 5.39412116176375 0.842068656465602 3.01369581656755 0.25623873852847 0.824661805756537 0.513966558681019 1.09326599012258 0.25398411023872 0.459720108670283 0.408153071989394 0.26975250436455 7.41277902775573 2.20439162379917 0.514736773314164 2.56112236609935 1.30210618692409 0.188319811787552 0.283471660769468 1.02483825492704 4.60116885905539 1.47516174507296 2.37933770877485 0.195881919094788 1.55808351927404 2.33033805420444 0.328508210954786 1.82215510722321 0.224193141822188 0.430395937001111 0.674866729528629 0.663714955234192 2.99663906341901 0.265630689085358 0.770648754119481 1.17749479521627 0.484422992540588 0.458819190947878 0.742029445538823 8.68961750674521 1.52952022630306 0.510927711855704 1.65849149963123 0.373908862603045 0.337909497446622 0.670828937663962 2.81995182657567 0.690723815036457 10.4271563675744 3.144739667454 0.486140804570874 4.71239718801639 8.17064221896502 0.796201208069982 0.320834072428183 1.60761065416896 3.63271965120947 18.8680505634237 1.83240129582777 1 0.787280722227928 3.25588397300048 7.02816651573572 4.57777767404517 1.16867700465863 10.5553200825297 1.12602111788485 2.65633489865843 37.5893775732171 2.95643852753634 0.31032180967763 1.8089120835006 5.6145705936721 1.24983428715469 0.187017448862416 0.338189575495038 0.370856011875309 0.238794544079617 1.02737762923268 1.14547253834735 2.27997535313174 0.549699849691447 3.13844724729958 8.29727484058891 0.514059918030491 0.24867196325376 0.302699018793237 11.2052925415216 1.70249176103741 3.23738948587006 0.472435652068376 2.45808632005452 0.832522662982084 0.20447564721369 0.465970517117437 2.85025160344683 6.63095049153698 0.314238234387983 1.23890657529898 7.75149141560782 0.687740983820825 4.50756677527471 0.255790613651004 1.41592523783294 5.76922502404003 1.03869745035617 0.63236955364895 1.69801051226275 9.48004910701782 3.44499267129107 13.4827985398598 0.337727446715151 0.528563292970975 0.662211869707692 0.281357071503926 5.07889331827136 1.24490024553509 0.395246141924883 1.85610523465873 0.754716981132076 5.64789988143363 0.575644412909731 1.13932015721715 11.3842857542969 0.899143894765341 3.27143764062252 4.49780138731993 3.16680514970172 4.47832195905259 6.76302129526762 2.91872135034963 2.68605117959538 0.438359489511077 2.4405300943863 1.11178848505784 0.208863536638877 10.5525193020455 3-methoxytyramine sulfate 17.992001018824 0.385685522996313 2.2815592858529 6.72307393751213 0.550971521443819 2.25882980787891 1.77398481467107 2.9684407141471 0.853641082864351 3.83510818940423 1 0.814956093537745 6.6274257713953 1.57471375897535 0.985396856200272 0.560425965457015 0.549983019600233 0.953103774500291 0.415007034737046 0.68124195449944 0.329185430822235 1.94929199595069 1.17159151978204 0.656479518082328 0.627892734991106 2.93034106673443 0.488374902620802 1.21182631300486 0.281485246270429 0.326177611324732 1.8408188601114 0.465987060543824 0.505055386371495 0.356180819110069 0.465837086164447 0.748347157360618 0.270587108035711 2.181227373657 0.224819926595873 0.644206614703322 0.690723668040043 0.453389212676168 1.20901845934653 0.621493828137693 0.376569002795356 8.73252486033636 0.532967284755521 0.209564199449261 0.272286817668648 0.392682916668403 0.305731104269687 0.873609091780154 0.255389704258856 0.880341275032182 0.564678534083761 0.829374981773947 2.79343112218329 0.182627134531184 0.857011927129116 1.89792577101412 8.66209522539899 1.86383159543578 0.68497465016393 2.19405018309372 2.87490886973475 0.253023441828688 7.26302589974213 50.4710195341629 20.9648018463513 0.52310230335651 1.4826467145196 0.784690948629609 11.6322794855879 0.235718064830591 0.355205985644119 0.254348215513183 0.615003270274661 0.762644714861211 5.30477710057865 0.677026008056957 0.28413479363942 0.38518419769956 0.813577680479585 0.418728467220183 0.418578492840806 1.19793701909257 61.6216229727422 0.322903170708337 0.60371353227157 1.45752600597398 0.328510546115039 1.11286821834603 1.62458913268983 0.287825829754084 0.991797234639083 3.35915114501273 1.18475593752734 1.39660308030711 0.80537908107365 1.28787998716886 0.283943159710216 8.57172732991447 0.550872559271125 1.53377964597715 0.451722830683092 5.46881574397707 0.482267612616178 2.56929441220458 0.315887702517487 0.835540595148329 2.8286167779671 4.5560050158098 0.305497810790657 1.13539770289242 0.470436300465337 1.94799221799609 0.500114563762024 1.32369886811003 2.38125986810587 1.90939881103645 35.6372286401073 0.581608975133415 2.44302431667923 0.544073720739374 0.531375889952133 3.10801904674618 1.48080536241725 0.459496502680792 0.489074783057894 3.79667640111481 5.03999733378881 242.631258826617 1.2306147699768 5.23434746564129 3.03683120800197 0.75606250598856 14.8150940880933 2.69398144483651 1.49676097000096 1.06362663045063 0.451056277885861 0.590999037664399 3.94128503047396 1.19134647830996 0.540982582142217 1.88365320924342 0.518444765685862 0.708287334247066 0.565453401710541 0.757103994734233 1.72618011089772 0.677709224674118 1.27064126545049 6.00061656133744 0.65367999633396 10.0101482663378 6.1224790764911 1.90325819339196 10.6415487354244 0.39252461037906 0.405555717564916 5.74318553913706 3.23868005882328 35.5452693498194 1.14434617419524 1.67564707695769 2.65786261513658 0.315279473090014 8.98181560650056 1.67014801638054 0.420003249444887 4.37094496356872 2.79267291837644 0.686699355526764 6.15016601330606 0.317387446311255 1.51604100966085 0.778891939293704 0.332976449856483 0.244233276815211 2.31380472502614 5.88367820497332 0.377893776479851 1.29344570302573 2.25458984090218 2.06713853050104 1.00820276536092 0.450506371828146 9.58750380143392 2.66884407247095 0.704088051624514 1.37375698318204 2.13205244104132 1.08190684091468 0.795922363262943 5.05627788586117 0.875200486583542 4.49774830133186 0.248274253148421 0.761386596456439 0.248807495386205 1.99967505551135 2.80137976429027 5.53471281989327 1.6397365450069 0.44948987881237 0.674759728546373 2.42021154719402 1.61144971067443 1.71917297461684 0.283909832070355 1.07854908119863 1.82083060810445 0.482217621156386 0.576793131173425 0.592065522139968 69.0059031582105 1-dihomo-linolenoyl-GPE (20:3n3 or 6)* 0.575476277901039 1.60520262071791 0.531444260284791 0.997046934548178 1.8920058641977 4.9987984523421 1 0.96375573154361 2.53110771941954 0.7417656353069 1.028445229587 1.74925608878228 5.80316982787494 0.624822523078048 0.330946007770546 0.754376240860039 1.08509914246592 0.477679975442194 1.42935410496527 0.816020742959657 0.813171435314534 0.48190447723 1.39779721638771 7.88619273899643 2.1098650019542 1.67937063632566 2.01748829767846 0.289118171540148 0.816976605033813 1.38531832411251 0.76586486432726 0.418031601509811 2.93632335018367 0.545071232043069 1.42308484896295 4.27279079239912 2.67752145654998 0.145922249287197 0.532396130334756 2.02010983048883 8.44945817280834 2.91867440299192 1.53409059807869 5.26344425321868 0.0931417927388233 0.319404352326935 0.178411756466749 0.44974957296193 0.430916429333853 2.95496016189613 2.29399699584151 1.16372422275851 0.219293105085979 1.59554302660113 2.16078607203863 1.62998378784781 0.56406778514954 0.778862702229292 0.246664595203328 5.4661806777549 2.87121723156975 0.239759538525193 0.297835911124563 2.37312662705127 1.40308449477492 0.720265512228342 0.336510024326278 0.616192993838738 1.27509623449824 1.97625652229211 1.39200323921055 1.42540719549086 0.0897150235293549 1.42868021489554 0.670785444159842 1.28763851569456 4.59513088052755 1.46782523718524 1.59486926436756 1.67752065157718 0.458693625742386 1.2162028145069 3.05258162826678 0.468251067796419 2.20996105541594 1.01672169997376 2.6900597128823 1.10296809570805 0.430362608047474 0.570033438570111 1.89359225551769 0.110867293794143 1.29911340295811 0.70105081149308 3.83426898005116 0.929236451100317 1.37073585783536 0.365972833777947 0.222526680823455 0.157393111686756 0.182832667084179 0.426992991906804 0.104378408053592 3.27886592212049 0.87996245606861 0.163451336979324 0.728359513732031 0.283991183937895 0.373870421918443 1.31289775718479 0.398764205757487 1.48467331788859 1.88075293935818 0.945635356981288 4.57365903606117 1.56539921016069 2.15193298118457 1.20965758067035 1.07999739188813 0.359586179582992 7.66892434704631 0.378939335639849 2.03209829039877 0.227276020343273 0.695626099794088 1.36701527355391 1.7057293134065 0.358278098783042 7.0886033560926 1.23401283770621 0.169359837331097 0.278465045666107 1.09348873601561 0.342633452415643 0.991911633305911 1 0.100615160213736 0.598985090293799 0.311073688820055 1.10068519284733 0.396269595050383 0.847955932569039 0.189116284760738 0.924248839631709 1.01776252980412 1.56881068488696 1.0051156021438 0.807635649991387 1.02456213504546 0.705454012708911 1.97536863729375 0.689482547384724 0.753632439759861 0.616628484123521 0.283280392955522 0.373936429688041 0.92240223202858 0.155657590330023 0.411851453539385 0.343670257382003 0.331052308742488 0.685019778181695 1.67592439051484 4.58817108569901 0.202156039147437 0.175995228121242 0.494506060640211 0.872230692324906 6.54288090105435 0.346630142367489 2.901096211959 1.01961074735285 0.479643847834382 3.32989395288333 1.95243013238583 0.183434786738556 0.794234462817502 5.09930466449539 1.78563815828663 0.945201476642104 0.782799019221141 1.03356334089471 1.49311345769626 0.291016986536025 0.634523834439634 0.545622638411048 2.32369002751397 3.29518352574867 1.99146970323873 0.636735899693949 0.160950286489819 3.44437235465814 3.02577281413661 0.644670516583245 1.29469168736788 0.742999554045069 1.85232291000887 0.585401174294321 0.451742685614653 0.862422098757283 2.75145740325434 0.403023316842124 1.15142906821179 1.13235443274372 2.4141246967265 2.75122718103355 0.883890723332459 1.93963025989352 1.8255913732675 0.480715266631141 1.78480340149306 0.283607211912309 0.632696546183705 1.58807126907182 1.90787005807074 0.116693686920319 1.1589901777219 1.1172346286419 0.972687272897049 2.56635390790145 0.905905924438813 8.26388054847627 9.4661380141965 0.432324326760999 0.858541324888632 3.02496623139104 0.875505321675181 0.926998626716403 1.3853066704876 0.832849008032019 16.6544364465925 0.861796634891707 0.929213106889118 5.2474043652065 0.549071141886116 1.73851746549484 2.60422787814 1.53093107983881 2.34483746794196 1.95333814170419 1.18097076499785 0.906279431817999 1.93782390093039 1.81396998095434 1-eicosenoyl-GPE (20:1)* 1 1.10291613345291 0.91363700486694 0.233950685704497 2.78893300148124 0.89887748007376 1.25150643383279 0.794200481655767 0.546024324623895 1.24471488598462 3.03377132435183 0.28301055007507 1.28741901028809 0.917040336151389 0.672189417680193 2.35095121975796 0.600366783889723 0.495120464324221 0.439168287300612 0.932061849437229 0.828264023941718 2.1674131659294 2.32903991293921 1.60697695508913 3.92523251478724 1.10918118519564 0.427900262996141 1.24619864773632 2.92599580818412 0.800537643455727 2.89217261804597 1.12807525325615 1.75270925184263 0.82485780634739 1.54429458486185 2.77808955675967 3.25543953824925 1.40253424427019 4.10330074378218 0.445886480665029 0.979116884865211 0.86089001447178 2.3802165718709 1.59617423350049 0.73669353481641 1.07105896408979 1.68188587486959 1.90385521488911 0.666152021000909 4.05290613536163 1.04094167536095 0.289397738363679 1.79673880119813 3.89314441490257 1.40210934607748 0.72604163160906 0.962726752599872 2.30840457039007 2.15973647898226 3.30424814054454 1.91877292767476 0.675015986268637 1.73028219971056 5.17560916097331 0.699891461649783 2.1874810688924 0.539826843469189 2.08691902534244 1.86007387338875 0.462512200047117 0.603002052973446 5.94989566856258 1.66016979100057 0.887540807054151 0.646438427624272 0.531387776394171 4.37566048530946 5.52311277891832 4.0345471679063 0.824883047824185 1.41369939083903 0.392584895500286 0.689416248779995 1.4020125870831 2.4157355366338 1.03870359775183 1.11564803284758 0.27774458991014 7.06401238515128 0.968523878437048 1.0075976845152 0.768666072089658 1.15764564332111 8.26731565308114 0.889189916871403 0.399686164305186 1.83431494631979 2.19565510046108 0.703879614983341 2.35284219028708 2.14521421599973 1.69169639551711 0.246916332918251 0.744905428600276 3.02493016524754 1.01171204523273 1.05526200652913 0.662778076936021 0.503302426547303 0.518880624642412 0.77727341567664 1.18289553394137 0.516444822131727 1.1500774071955 0.430720560024232 0.265931578770235 1.50673526739138 0.384974590246693 0.502692424191431 0.845189815905496 0.534719651331067 1.28222495204119 0.375387035977518 1.10725944872615 0.973004240568102 0.832947699660081 0.580099619695083 0.583734392353515 0.915975330663346 0.262898394642076 0.496916332918251 0.735658634267829 0.665811261064181 1.16332076868711 0.912062901760172 1.32979672197355 0.990446101033218 0.204434927472823 2.79917039679602 1.09593023255814 1.51928448827113 0.709954397065258 1.46766146131323 2.83603557365463 1.20563810453337 0.757425201090432 1.22202823679871 1.30893884831555 1.44439723353414 0.321387103288123 0.925832127351664 1.32969996297917 1.43362753676842 0.407961161781039 0.389316124255376 0.380910712482752 0.433278363006092 0.459655706256521 2.2547285699862 0.345686231615791 1.21310116783899 1.0146568841921 0.39001026486723 1.95167098576381 0.780108874903241 1.47093023255814 0.613027126173729 1.48974354659577 0.863662370006395 0.954455962036819 0.362375054689866 0.290613536162622 0.741678726483357 0.301711372126678 0.372791370780466 6.03310840372901 1.32276697068623 0.665407397435466 0.631398714367449 1.5696075791741 0.563141554201865 1.452651196446 0.259171069902063 0.616064517214687 0.483218624844344 0.438633762999361 1.17548716050214 0.354882542994649 0.31846750580554 0.904507286372968 0.577045401002928 0.522826708847979 1.8910788207182 0.243003904015078 1.92911351933497 4.56451300777438 1 0.338551307508498 0.947506142092687 2.34283815165079 0.467009389829368 0.382168579409686 1.43535657792885 1.28736159256891 0.484173594049743 5.44882711271161 2.74182596843133 1.03365950930569 2.67976979773163 0.89266061993067 1.85319557096221 0.451914986706156 2.42475936458789 2.4067411570693 2.12190371217985 0.707093696361862 1.12364537407869 0.729318816679568 2.86486134015414 1.33715461245919 0.550276814862182 1.52208629219534 O-sulfo-tyrosine 1.84738712872115 0.704054386404103 2.77702876606798 0.971133180607685 1.1361653132687 2.24812564976961 1.00189799821463 0.857547622640646 0.335213146431398 1.19907951046253 0.82548095600331 1.30622753716473 0.998102001785368 0.351506717567395 0.845789184929877 0.373570396859372 1.15819819518584 2.48087285039823 2.59002754605197 0.966190201947186 1.66042726517992 0.905399703729254 0.478172800550481 0.470406582542904 3.5251440767189 1.04059050006577 1.64328016679858 0.948527027556171 2.61226061090553 3.74294399145417 1.10908386169163 0.416969617509804 0.716381695624265 0.747049281519243 5.61562852382463 0.698322994947911 2.36992479539381 1.59058438658298 0.834925602591556 1.21345340502233 1.34244975091599 0.460426823222055 0.871501494340192 0.764321204060409 0.48603384002406 0.564049706991316 0.32366990611102 0.918174323572387 0.962541517417033 2.50965646155649 0.567937777755925 0.770614478259338 0.958644432261358 0.25498147542636 0.533830599924115 3.63356418369362 0.536846323480604 0.655428589223214 0.342661998851075 2.17947939433126 2.31041629277431 1.21710136518855 0.38705049943824 0.58836029046007 1.21883950368402 0.386445715746748 2.83666660930236 0.594198337910186 2.91386749336828 0.396296396456197 3.72623007512266 0.775708838446542 0.361576240031927 0.392144449880395 1.71129814606755 1.08159621920049 4.06339862210935 1.6110532004776 1.40752627899868 0.799590009104535 0.794195715541876 0.489957148862835 0.307946349622338 1.16904523667284 0.528475641886106 0.555168892811515 0.882329007245112 1.1390060076819 0.604624710412687 0.396942564397581 0.404927266156452 1.42986926674485 1.2205202778727 0.496422515982106 0.471140836748558 0.610997065405963 1.37708877782066 0.262315092303267 0.506341214369595 0.705872302136165 1.48443091739458 1.74391917860869 5.09193859396806 1.82036818051072 1.99205258504054 1.359893417118 1.24689105944499 0.818817295502393 1.19735575130442 1.10309922959736 1.98391791659394 1.00450022986697 2.08806732275044 0.66986718524 0.627776125139416 2.42830567964001 1.05203639191622 0.656825000348283 0.390779589124055 0.668771117235434 0.901816891493775 3.56102537878881 0.561718667410764 0.956277744861592 0.471303095787739 0.516829048629362 0.626836579743352 0.612733564921235 0.630069468175512 0.865667134595512 0.495554675969518 0.370696755065063 0.871942380012309 0.673559397871457 0.358685078970163 2.91537043820594 3.41436779207242 0.464564018976113 0.957949094914163 1.03809112893775 0.485427417352375 0.288424456534655 1.02273880146295 1.22815997430079 0.526738732625786 1.26817075879047 0.931970849098274 1.36104971764469 1.64461172968955 1.12663785339486 0.404701906379812 1.22523767261535 0.876276253389616 0.314918981111573 1.47801635866131 0.594967019621051 0.343322507869154 0.478855106775462 0.525786075388172 3.29503815136146 0.695232452463428 1.17100545698456 1.1067447312933 1.5296048992396 1.62993384256448 0.6949386652637 4.98347375296143 0.78968319332345 0.414374347993192 0.735945949711171 0.95624701398296 0.314896445133909 1.14042372554949 2.07963067220314 1.3790043359221 4.93485340551402 1.34881514024344 0.527498809690634 2.71388240808804 0.548671565578466 4.65185151495037 1.07399380957181 0.381121078842323 0.907054662447932 1 0.292083479817188 1.08963377807061 0.798265303362942 0.691968833152636 0.543428877683728 1.99010383759018 0.435109905914342 1.41248829153524 0.725415501966367 2.32082422674963 3.73557635967748 4.80592630653355 0.608075583210615 2.01774933600815 1.92452373284295 2.16952668710475 2.7637483804827 0.829885738495793 2.18250577125901 2.74773800246011 0.586192329408795 0.672144548219207 2.58703394573828 2.28014678706615 0.398562286574048 0.680260778138627 0.795689645988473 0.732009938775895 3.04334979688938 1.07142593735326 1.4812037653931 1.1478741197652 1.84386705903853 1.86023842244878 0.573373455568476 1.52247656463196 0.478095439455662 0.362474810923147 2.67071945494075 2.26758031617567 0.91268496915849 2.11993606338264 0.322843450348324 1.72824929872135 1.30274955317303 0.344632872534052 0.603566338952577 0.2165781207617 1.09438641088742 0.754954432253163 2.60741671317273 0.422707333043234 0.671883540623353 1.17498285216972 1.98898728233319 2.2484993087601 0.536704551693845 0.431172665743921 2.60270177690038 4.00802813473401 1.45640435608156 3.16274499680809 1.31259982413743 3.7654107161442 1.4035402791675 2.07472643371841 1.05917742862036 1.13748421457201 0.948258624518652 0.449023208779034 0.703215515242106 2.5456882118808 0.242968160351266 0.974029129594983 1.05367619160006 1.55639894744692 1.57236056580874 0.339890893088503 4.38014096868646 1.13958866514078 3.10088578684571 0.806867900654855 1.00652191193596 1.78315308648653 1.46732529085752 1.18747638844158 1.48616004149898 1.65762769089817 2.01880811721331 0.451331712381922 1.19412900904799 4.51885933534436 1.13199690888336 3.14314975935673 0.6487386818174 1.09566481543854 0.933770449351005 0.531368441928064 0.398908521139976 2.88645145217743 ferulic acid 4-sulfate 0.292313126835485 10.2566215991578 1 0.735551615226908 0.828357898819748 0.303741619105669 5.81396492491827 1.23813514711586 4.68537707098133 1.20958469551726 0.169979775031861 1.07634925472378 0.506420734748158 0.518250955837535 2.43816839363883 1.22005042389317 1.52446389981714 0.395578212445282 0.563992630354075 2.3262315066216 0.690751925527789 1.87358009641492 0.25715492879703 2.00055410871613 0.505942815980495 0.850194394426077 0.176922451807719 1.80203846828313 0.0916369764288739 0.314764994461149 1.10420311116624 0.163201498697621 0.340046962613824 1.01729661296048 0.179052450139648 0.649427081773972 0.600317361197247 2.433985021578 0.708190228525725 0.478000709999444 0.336283110139733 0.62962408523415 0.305688977472488 1.06038416957866 0.907362180981425 1.13586652010453 0.254941125648516 1.09686787594684 0.911605069224946 0.175972934479027 0.203055563872149 18.4238525596335 0.524197722013832 3.32407197512436 0.685542957104913 0.328101008113668 0.537388314093489 1.80100340885275 0.315517764955967 1.81380050726466 5.13418989491153 1.24129716042994 8.09069173620527 2.32362287909052 4.73978092667759 0.621647284252127 0.16796191665633 1.02990979585377 0.397988905189412 6.31003023913295 0.880005816862914 0.649089190472321 2.7140413082809 0.199715144801393 0.427329846066988 0.472910954949252 0.223709704323726 0.188115635813056 7.71603016214505 0.356783274808279 0.244573422924428 0.243756495853347 0.389635718959979 0.795083895416227 1.04156063010312 150.335662929903 11.996291749892 0.170160348669607 1.10466931562042 1.74012309508432 2.46964752377001 7.29751542965659 1 1.15519903508509 0.188436418694371 0.283379597353327 0.637237332284017 0.550835532478198 2.59833278443818 9.25258871785221 9.58134840014884 0.283251284200802 9.700889210147 1.5535130002609 8.28414947626848 1.58002249757274 0.175733416594312 0.336317326980407 1.97083014332579 0.833928563790884 1.07156879937383 1.96087731979487 1.00238662463698 1.91987271335269 0.466371261275518 2.35319478364264 1.84921066025671 1.30528692959457 2.64576160271682 0.378476751795315 2.74650881297503 2.40008468668067 2.09702185172988 1.64772051684538 0.468338729614248 1.28015466011985 2.09118360328995 7.64879407022151 2.31929017164023 0.939722758048443 0.835579526353383 1.59033032082565 0.432778877944252 3.44116628101436 0.796401243782159 2.86167414447206 0.267905031158711 0.54492457325184 3.39668011103365 3.54966360568513 1.7461110422022 0.178051607549946 3-(3-hydroxyphenyl)propionate sulfate 0.433278751275944 1.94547465124192 0.707585488261313 0.552122320517183 1.29241451173869 3.1821729329704 1.32419647035385 0.879316495929648 1.1468153028555 0.655796950363482 0.914344226216125 0.590143122564623 0.371405140180421 1.69027331822878 0.716937946244481 1.7372086234936 0.481056762529595 1.13685371289308 1.24062104721794 3.03627408735619 2.15680005930621 0.557432041106617 2.59562894699044 0.413141885474148 1.08565577378388 7.23030732663359 0.868215114743616 11.4008312135997 1.44822984863017 6.08291749486862 0.476136200417923 1.5079252556422 14.5034819231892 3.31298389002405 4.56825542443323 1.70636012769368 0.595925478040486 0.911981244411085 7.23117838659309 2.62909988926419 0.456444685375923 4.26490416023797 0.40135477623489 0.261039989992077 0.354493603732585 2.38959546678157 0.735424803895677 0.328130140064588 0.22448327147881 3.55234004698164 1.43495081754537 0.657539070282492 0.860959370612846 0.55467059570308 0.639700874303268 0.741763155090373 1.094014242757 0.276839535002247 1.16467203202535 0.288432045739915 5alpha-androstan-3alpha,17beta-diol 17-glucuronide 0.797500791799833 2.94854740721546 0.876089215555399 2.34877931949712 0.875738467860779 1.32516667059295 1.1239107844446 0.263767501393829 3.59090254710882 2.39527171167493 2.37625281056222 0.156564347805602 0.389575987917527 0.187393499650561 4.4160652914216 0.376771079543819 1.30096589547372 0.567543013839114 1.19220372424325 0.229908761056521 6.84348926256417 0.826891243402315 2.80862116052369 0.416890072957714 0.626856687418835 2.96377752634894 0.697484658815399 0.946845094443732 0.313244416700572 1.04162881300197 3.15354561111142 0.269636994967088 0.321036233620743 0.800628695957507 0.443643092426109 0.490193346301116 1.59871585506552 0.391329792273951 0.286123543214487 0.583572531337261 1.08579358930771 3.3394122138681 1.2491542144366 2.67389741331743 0.683829471795072 0.564265768954236 1.14013566010289 0.613881472976664 1.72980565046065 2.15754184339451 0.509377490678245 0.855751063153847 1.43424052079211 1.03508547032366 4.74676595009447 0.750266136808253 0.292733768441469 1.33771785596843 1.35003539201534 0.620848405129892 0.529609461651219 0.666819010249751 1.23447349500332 0.872783818882058 1.16972004079836 0.628328103489597 0.363239121832136 0.463440326832721 1.74355001421254 0.974824293971096 1.0251757060289 1.45212045547016 0.956810594195709 3.04480573406384 0.734125148395655 1.44286836957067 2.01250703660148 1.10310502232205 2.2845963916865 3.6633021028988 0.460486347599753 0.835909240381453 0.606490951348519 3.31380734481855 1.57595349433449 0.462470529876992 0.275734453987593 6.55045452265368 6.65136914150675 1.04726924127322 2.04707416717293 0.634113443949637 0.414014123364861 2.25388615475507 0.854123587802853 0.484508329664083 1.03470646921452 0.461757116024501 5.43486475791304 3.74923503084958 6.52011213973994 0.854067852345627 1.36982147933051 2.47539000886194 6.26573551296128 0.328103489596977 1.03434976228827 1.21982621684437 19.3737786967935 0.720180136997754 0.864245146835062 0.463685562844515 1.20549105724589 1.03995674928519 1.657773145542 8.49867628289089 0.711786377139545 0.937080242337768 1.77757093730318 1.72059815292695 2.43646436553542 1.92674131502238 0.708130131145531 0.776160830235371 0.486314158478199 0.618161956091607 0.470596759540517 2.06678222484798 3.30238157608726 2.3552578043574 0.94498353017239 0.711385081847519 0.682792792290672 0.324491831968744 11-ketoetiocholanolone glucuronide 2.81158348132814 0.649583200565091 11.4774598519978 0.682067039977539 0.29656154392939 1.53313115422582 0.723958669896185 0.709987365662679 3.97797124184172 3.2812332182799 14.5222861242889 0.381129157688563 0.389939769640601 0.515088785744367 4.71085639415567 0.510966471098118 0.475367498780018 18.8703877426874 1.27604133010382 8.66209275430782 1.57858117063315 2.40011135214064 0.221005986052969 0.146858766617469 0.732896678869881 0.611820484942074 1.18141119579243 0.140741402161562 0.437718961903912 0.165172341949118 1.35731956488626 0.219139612123377 1.64065123494076 0.326282781912631 2.08466614492236 0.155416773904381 2.78464741115027 0.57584463925233 11.0617181495235 0.0923802570553662 3.40873413976094 1.5710106257255 0.827822627945536 2.59359094896185 3.49935657371564 5.09648592953651 0.212265893504634 1.95773170787221 1.0944059555887 4.12969372908865 0.223653225622898 5.72507926836741 0.189967452259521 0.391742433394437 1.81246968893184 1.09693764105042 0.558210382011377 3.34227301934131 10.2001327121425 0.915482674762458 1.22231384845954 0.225985317624978 0.243847181442711 0.618445587146181 0.621264407058605 0.105395851607515 0.931453653173098 0.203637853424866 0.172494270442135 6.60724034028934 4.65750987900084 0.860296833992517 0.381184989871507 4.15529771815653 1.87032027746993 2.44461719200015 0.831033631497949 8.6726964901315 4.3651019589923 1.07751054431237 1.01896312948538 0.444925336288717 0.319979830555658 2.58552317122493 0.238986905618556 0.441889414718442 5.33888343216711 0.357370338661078 0.474293587972568 0.202373761513829 0.196606561022199 5.30106222238563 0.294260287379566 15.2797967648351 5.18015410716068 0.721579379544472 0.875623510708889 1.09357256535373 0.266033570219255 0.457237101272671 0.31990629612316 1.29833794674356 0.895047105807294 20.9246639739058 0.400804676789907 0.796805103989943 2.66444312549351 1.33827064522963 0.766953626035391 1.14993495704364 2.05003843049508 0.590183853589443 1.64171223175252 0.540646157563279 0.300832864989031 2.7291639310107 0.221797356612234 0.438485820985677 0.981036870514619 0.154590386948689 4.22825788175313 0.953787110814639 5.95111360894739 0.970171282703126 2.36308151291842 0.0797463412242783 0.596014083594643 0.558914211579572 1.12674009604998 2.68938880630855 5.09652794921222 6.86538821803309 9.20693464714853 0.462037849222899 3.23233554111713 0.955313825698883 14.5093169876795 1.36659190666029 0.237327128427886 8.37860428145479 2.20286749270346 3.76107962553466 0.660097590696844 5.69164911469796 0.387698039607046 8.19948841044819 1.09879351006109 1.63476848034092 1.04673113185249 2.3777043600666 etiocholanolone glucuronide 0.825091983056282 1 4.22571165838281 0.153082874167602 0.161483834579703 2.83828336389735 1.20187278243322 0.532744063296618 1.08272496298985 1.6556241144283 1.52690709420314 0.173518615127231 0.198196634748167 0.264864641787239 3.37154699786563 7.00599781378206 9.16398962551759 0.471464353324988 0.346559987132425 2.37848659962688 0.226739159649994 0.328144328478716 5.42380141606817 0.236404655607183 1.46182848665254 26.8315003740697 0.359492111732033 0.43285422074452 1.12156578071578 5.45302964727395 0.183393632455072 0.877000738970624 0.418664286605438 0.29248841159704 1.46196988454784 2.06321749728884 0.683772397047956 1.59667367249206 0.230760371980537 0.0932427374542942 2.48218888856899 9.14221825545351 1.07583758001516 0.511634468660928 0.474039098263899 0.151598383861649 8.99825334216259 13.3216076929721 8.37357748154973 3.70109502010576 3.35916467528479 1.7391568057275 5.22227084712905 0.25132294935652 4.93197247574353 2.05683931707598 1.87864566838453 0.23477384619814 0.583147630975345 0.591882839566599 2.04994673653298 0.156615706484707 0.0835228744997553 0.243944759546637 0.0969126383170664 11.2848146335378 0.223443603105596 2.32913751571512 0.416094204358967 0.550214493421242 0.293891496079617 0.411512586493152 1.08713519323602 1.21231297805161 0.139266211767867 1.62953387268592 0.851230817954107 0.564826917724738 3.58724747838271 0.825372604343612 8.26938454303784 1.12094357911304 0.440411136383267 4.00854326816956 0.689858827819845 4.29368611982841 4.69520820737243 0.857645466847091 1.6815094194762 3.01407499112276 10.294451962111 0.386656301883895 0.983097726465705 7.14095336807455 0.900169867273198 0.307465522701753 0.432251749057093 0.361226115413776 1.05042658758721 0.98770429658634 5.24024606762061 0.496238927436924 5.18548354590735 0.438672156162727 1.36900929951343 1.44474131229666 0.423098110346548 1.92217199781188 2.04086219637425 0.54042169310646 0.312185337671187 0.617656599391549 6.10732924500235 7.98518219944529 0.411913741974491 4.27887599689057 0.160066795266749 2.11875929711418 4.72580734939875 4.67933089568998 1.06839988867455 13.2035470589929 1.71886294494189 2.13281317479055 1.28513901285041 1.27905450148274 0.0759642606934807 0.871964222305396 0.729959020719969 0.124588527720995 0.301110375339495 0.247301797522049 2.47501607501032 0.111684373170568 0.789326193149646 3.93982667779921 2.67006401213064 0.100323419610553 1.05115404178543 1.70311039453354 3.08037121277555 0.540868914289005 14.7812186297373 0.0661445887196614 1.47566867244407 2.43563565869154 1.22456069635985 0.414336030096258 0.3052601272565 2.12472672482461 0.143820957974645 20.9222123053004 0.212380157199205 15.2224339964875 0.297816677703241 10.3219551051354 23.9934759450667 0.232226796802273 8.92462115759268 1.18630888972063 1.28802003858003 0.275557346999491 5.43156652175165 0.414255415119147 0.24425570302978 0.334730659603259 0.171539074271346 0.400332056929529 0.491922187353046 33.0533364043801 1.8112688221576 1.04119425330378 14.7987005633451 0.657015902263937 7.48113513565389 3.43018647011968 0.166053417019357 1.79946256681926 3.83272584189868 1.48474745439016 21.5004827301606 0.301141085806966 0.389639056037006 0.491198571963263 5.73040816130673 0.679346250923713 0.950847896812829 0.802982754153111 4.02443785448997 1 1.19331663451665 0.272096661196365 0.380740698087314 35.2600946266279 0.714753500513441 1.53200894442365 12.1744047447672 0.506148811408939 2.40951064789489 0.0654708778395186 0.982936496511483 0.557193447154003 1.90129847695275 2.76104569141738 3.17767157074444 0.556043724028062 0.893467307747675 1.80970834652924 0.873361548575322 26.2885171642722 0.254134876534324 0.45754565782781 18.2956707837887 15.5746120404227 1.9587347287402 0.269449802781217 4.40580811716043 1.10960757780785 12.5248841159704 2.20077160049521 3.55551396846419 0.11469783779115 0.379688864576436 0.277167727137496 2.12675937389034 0.529383199454889 0.736199003829212 0.239163523642262 0.807664181038206 0.458873885545927 0.102350310463632 24.161112870565 0.112093206268774 3.6267200261039 0.177245463008282 9.41052217391722 4.9164828837129 0.622067390282057 2.8885613105692 0.273735832397624 0.73050221211336 16.2915171930633 0.263417115327402 0.514978070806822 0.855434313189186 0.285632299734163 0.397514371539074 10.8961026497375 17alpha-hydroxypregnanolone glucuronide 1.15133687485431 0.654368288833384 2.48482705315962 0.072510007887955 2.29461692179233 11.3158992449069 1 0.224281333692249 0.412002393088622 1.34878328475229 3.57731314459495 1.56978602929874 0.0929097171955253 0.4874178819145 0.226443484931697 5.02704854087267 3.46862751748809 15.0458078730884 0.246620917009043 0.765808565900508 6.20530405432225 1.74140786644891 0.63508790414944 5.1791915315262 0.228819253249542 1.20148276232863 7.57655971138601 1.06659728922814 0.342342296831034 0.28223579139715 0.0513113995743535 0.816822633595471 0.142527335408402 3.18287529199401 0.194927646982751 0.845863339118198 1.79574934502003 0.651231416610672 4.5811465246948 0.445175666668777 0.174517232055086 0.0821001683006876 2.63020694382772 0.993468739571643 3.89274878160612 1.65923225585322 0.64589300200134 0.14250121409819 0.861789956039246 2.63273281067574 0.0665669463237469 0.118520400919188 0.062096713660029 8.34392937339873 2.99295596961001 1.7841573073337 0.0860874747571578 0.0976315815652416 1.02704838938684 1.20674034758026 4.22674380222092 1.69349288588201 0.0975040673419796 11.494008188041 2.99677325710214 0.066536198213173 0.0857411063351056 0.147252701538039 0.244121006476095 0.398576905094148 1.2347265543396 0.0801738896088569 0.206290882552165 0.1402159059976 0.123526916805561 10.0605565950628 0.361004522685323 1.95877492292624 1.2630166247799 0.393509797342821 1.16298849930229 0.360451961051187 1 0.714641255463442 0.443839028215009 0.357630369727942 4.22401174216082 0.203687241071517 1.54581332822071 0.709793906267098 1.92502615850289 2.39952376602858 4.54056082744974 1.75226880360006 0.731587081814392 2.35767468318142 1.34515296732832 0.884125745302548 2.1743653002146 0.887941224082282 0.789708245648464 2.11656518282917 2.70712424678434 0.114497824571177 1.2089921945017 3.88309839666691 1.2451130852202 0.143124315515406 0.343109122331358 0.461429660531816 0.636996850127379 0.358977860456031 2.97714149285694 0.171648614209787 0.96691593737876 0.714187268654381 2.39945774802647 1.10143439935827 0.483333167534698 6.47238141403326 0.549704772920682 0.0926069785550016 6.39477499165731 0.086623757979813 2.07031459838898 2.76518753182203 6.19813630275675 0.192179308511167 4.16836218380316 6.75833341623265 0.525525001379143 22.7974621956502 3.04876559901389 4.2023162370824 0.258366425233708 18.3108444064213 2.81259207476494 2.1344244089354 0.404296958017072 2.14971164602775 0.19942501033227 1.02733507030013 0.417135198537837 0.155178479216538 0.89683375853147 0.636397261971189 3.86637323322713 0.202338845987236 0.875485526231304 1.45267911000498 1.75180486887287 6.25666713994641 0.168255469772346 2.95663521617278 0.65740364763027 1.46204824016807 0.571271859419638 2.87180298781199 0.662743870951989 5.44618944996152 0.683035815218325 0.127696903213087 0.249377124671832 3.13859168227435 0.860234463386687 2.80423220611363 3.05396655148183 2.98787258344721 0.160094559483576 6.56506888028947 7.83186661831376 0.349956907427387 0.126415430487113 6.17469629458137 0.150698298634693 0.731211773994152 0.840862249368986 0.100781454186672 5.59794674969862 0.670840571951031 1.0494574315018 2.93320606027172 0.595129680156345 0.257216988511963 0.720537657844069 1.49987293795484 2.83160706808627 0.562599987881627 5.26059204582554 0.578662258231676 9.90567112725286 3.81463411104951 0.344660997559143 18.1766090079303 3.09467071938822 0.0797334681426966 5.68442942811227 9.90595690380996 1.59305237398023 0.683500654301706 0.080556432278643 0.557493088457792 0.13062068678618 1.33401762951963 14.7150871030668 1.2064220142002 1.33964815117942 0.548203541639724 1.53286927802532 0.501685267766304 0.0890519543589516 4.57005188291481 1.14238183908067 1.1367350390094 7.33692694339363 2.42775324460393 0.925756878307118 11.0169394958576 1.06448150094189 1.62822278633952 0.124354402722474 0.0991481869014858 1.25791153406845 0.337610636675804 1.20892527214339 1.8086952039278 32.4203655588605 0.140747667439288 5.85880467624501 2.50199727065301 2.2889969695024 6.55152705065028 0.19923871295644 0.326891302716053 3.71669233530996 6.38001047244472 1.62306976474982 0.0954059609734128 2.91604228407818 0.942806705620302 1.46647868115928 9.70896913341877 0.587947283268777 3.59694653174878 0.144833548720833 0.142845773807855 0.488027680534366 1.70945296398221 0.805665610680085 0.552747931511297 0.10651326374011 1.73587553888325 0.112475684122851 0.318579364942994 5.28197373930486 0.893305865021221 2.31617558618108 2.30010517662529 0.153429454338604 0.842110260915805 5.19315782191237 0.995382357276766 3.1172823372905 0.459081047497692 1.42684798405439 0.416065345161107 1.31005128603973 0.979259495061763 1.39080396361232 1.29298970209603 2.75302755844628 0.366901829422144 0.546710449564507 0.337602497470064 0.390366255214744 0.538643592319846 N-acetyltaurine 0.560455878627933 0.420695333495959 2.54032082312806 1.0676146107103 0.525969550877788 0.794923793974567 1.64323731663665 1.0605762874249 0.235626752494127 1.86917935293405 0.63930049510641 0.939423712575099 0.829867831190508 0.712681724961342 0.886678938134844 1.19386648510858 3.76090921904883 2.3996146918497 1.90878786570596 0.535471183288195 1.23958229850251 0.80851360411356 0.262143734295494 0.344702038939633 1.69260752401544 0.819409169897073 1.68925272168092 1.19717863724288 3.22114076802608 2.27196368283439 2.78408232112792 0.502068794772958 0.749076909233612 1.66894914587773 5.10624216887711 0.512810403736158 3.09663227432152 0.999836551230974 0.717434535362822 1.76860081043348 2.04966458950523 0.327544522763646 0.769622365239895 0.674999148704328 0.496070419177989 0.711938570504308 0.348660060612252 1.49077876528076 1.66607416487895 2.1787107978343 0.318459495351926 1.44172710865938 0.510750161746178 0.165590628937243 0.224473047979024 2.67552695202098 0.382470119521912 0.352759900568666 0.70106582218136 2.87090952429598 1.59126911158784 2.23918343719141 0.313242755473831 0.56010828480948 1.28283787925222 0.613089522252869 2.80941873531515 0.57405250791705 2.65951578302176 8.50982735723772 0.678138727142711 0.630360608846665 0.911019171178534 1.59027479824293 0.945527292539245 2.00534273163755 0.902209963564545 2.47876187557463 1.61079102393843 0.845091429155174 0.278792522218817 0.568607620798856 1.74395750332005 0.927129090475704 0.510389212381244 1.95349542002929 1.23749106139544 0.658368236455886 0.346562468076412 0.29998297408656 1.5116559403412 0.726362924370893 1.04574522423128 1.31637211836415 0.81541185684612 0.539023393605067 0.361150270712024 0.623032655701978 1.26762011781932 1.94304491435966 7.52306670752886 1.36069397623183 1.11671604181564 1.59151768992406 1.5767460074233 0.507750195798005 0.963782476929887 2.47206388122723 1.68673340824735 1.15778254503354 2.12842987026254 0.833976912861375 1.0593319031566 1.72214730820309 1.09414649095924 0.564507780842442 0.960707596962577 0.418439064255797 0.521074675656349 0.231208499335989 3.83535601185004 0.548687302073756 1.13526066673477 0.436455885858276 0.420281268090033 0.445656689481391 0.529465045799707 0.753921067865291 0.927401505090748 0.363234242517111 0.385878707392652 0.424408349507951 0.60557428406034 0.210688868457793 4.77029659141213 4.05409813736507 0.644223107569721 0.913467497531243 0.793288384921851 0.515670650730412 0.565954983484864 1.79418054278612 0.698263356829094 0.366142268532707 2.05022303946607 0.844270780127354 5.64462151394422 1.54099158919876 1.12836517179147 0.52234821398168 0.879041100555045 0.431576259066299 0.542796336023428 2.45626042837198 2.94082814042973 0.389239622705758 0.635083597234992 0.364575884496203 3.61307930670481 0.804379064936834 2.0186093233902 0.865624680764123 0.882310075935574 5.07928627370858 2.76829093880887 1.00016344876903 0.295508564034461 1.43447066435114 1.96633976912861 0.341774781217012 0.997504001089658 1.14854428440086 2.24611298396159 2.64095413218919 1.34225831715872 3.57117853372834 0.336217523070113 3.58288555180986 0.535863384070555 2.26951680457657 0.541740729390132 0.763595191882045 0.97793101099874 0.97380733476351 0.899914870432799 0.459777982088739 0.502233799843362 19.2281063779072 0.395729900909184 0.228644396771887 2.31678755065209 0.299247454625941 0.678836789593762 0.361163891442776 5.18145196989819 2.51702250825757 3.65576667688222 0.601052201450608 1.4361630401471 1.6637790717472 1.84201654918786 1.64315047502299 1.53733101780911 28.0126196070419 2.22749003984064 0.574059318282426 0.486978581400892 1.86983689174924 3.6140225423094 0.338785030816903 0.317758027718187 0.591500664010624 1.26593795757142 4.26176660877856 2.49855620254027 0.650267306841012 1.12360132121088 3.35066230803283 1.28837470630299 1.20315660435182 0.669956073143324 0.910474341948446 0.57870058228624 0.334630707937481 8.00062314843191 3.20761398849048 2.39191950148125 2.65291313378963 1.00202948888208 1.39777982088739 0.490312255252494 0.384193141962066 2.90400790002384 1.36897538052917 5.54158749616917 0.843831511560595 0.64653182143222 1.5805938638608 4.05215718323288 1.52938672659788 0.918616133755576 0.493315626383356 3.01458439745292 4.64545237852011 1.38115571900433 6.54355909694555 0.677627949739504 1.85899479007049 1.0482752749685 3.56778356658835 1.02663533898594 0.904736609119079 0.440674907208772 0.289137467225117 2.19023734123336 0.862689413287023 2.69882180678993 2.95073381686928 1.43344229917935 0.845418326693227 5.07151564681445 2.04869070725644 7.49401028365172 0.488126127966765 0.496036367351108 2.3696768481629 7.83795076105833 1.20424285762931 2.33446044880308 1.98291960363674 7.73523002009058 0.409568563353424 0.938614771682501 4.08481288521129 1.00801239486498 3.92583171587156 1.07271427112065 0.614015731944019 0.540382061497599 0.357792760581605 0.421364116184833 2.47301052201451 1-oleoyl-GPG (18:1)* 0.91915017676346 0.444227216356615 0.678705370916174 1.12197628947559 0.229339620772325 1 0.491187301335703 0.409641988792109 1.40814668678194 2.00790593426251 2.36042924629581 1.64857410539655 1.03483875767818 0.225046187364011 1.570206208536 2.97275824993864 0.998846377329637 1.40862018560669 0.350798741164354 0.241541010214393 0.822120926990201 1.80984958426318 1.34496229194458 2.55195177674374 3.72384159663961 0.980180308182037 1.19234510221217 1.02052178881315 1.35364073946155 1 1.72702030488694 0.827782937909383 0.862118428421249 0.925038108978453 1.59065477913419 2.1386962761652 1.16507214821275 0.550804539673015 0.856608969761461 2.06544390441505 1.35828183488402 0.763415985289972 2.20702716714821 0.842147585474074 0.655823588494074 0.82429512560281 1.37345816401258 1.08267059861137 1.22843319006726 3.06784645161388 1.50690874023847 1.13748631137586 2.2924857483379 2.55694354278597 0.83122616063284 0.367712909591219 1.55925464355163 0.713360021584381 0.664821615216082 1.01643617379055 0.819784020151469 0.378622242342117 1.60594069283143 0.654220630768777 0.789242422982832 0.830406921512509 0.785091057219016 0.865385560079173 0.9047558947051 1.33684331447219 0.703493631625048 0.601371394195343 0.487488087401629 0.604779852159081 1.61447317407547 0.679045692230605 1.5194051598461 0.874516599794888 0.957769886009376 0.627432871894128 1.36393791013914 1.24477111562381 0.439933674884502 0.569358340783824 0.975146975579268 4.35922199490772 0.589499228751363 1.77609000747442 0.760301516272553 1.01189634962465 1.05529108306586 5.49716251542686 1.600026904901 0.794725430195008 0.608215517326076 0.928061131562699 1.60099276061667 1.26537301453545 0.761951330847905 0.793519244183894 0.632778331578721 0.502300142308788 3.96173684739555 0.740837785363885 2.71264432098756 1.45853584435666 0.775034216836875 0.399899031045686 1.03392738246299 1.03260556583803 1.78175893057553 1.92206874504508 5.00092731217772 0.571998195255517 16.9664323572245 0.673113010409023 2.08540567829447 1.18428647975822 0.899996901401851 1.24576266703145 1.5586848037945 0.638991398744992 1-palmitoyl-GPG (16:0)* 1 2.12317231427996 0.90936412231264 1.16697352578788 2.14881496160747 0.659646385855434 0.454924503286438 1.74846687561196 0.938735927815491 0.728764646081339 1.34516732020632 2.58765864148079 0.817205661199421 2.2690943673783 0.630771176793018 10.7903285500789 0.929302937883281 1.69566602483919 0.742142298304545 1.56471448047111 0.623132492867282 0.44373468632439 0.466676504898034 0.779914079446061 0.809246063536235 3.46926021184992 2.31206869896418 2.16710235977007 0.484558661625744 0.318913297072423 0.789164359367168 1.74641490164111 2.52346418181052 2.77858357577546 3.01311061451467 1.96094717543453 1.31094960658298 0.602498648567481 2.22402031868066 0.299746302509231 1.39720389326972 0.930394789905872 1.35698697762485 1.41508284495851 1.06727416776068 1.73764762076372 0.384510438207357 1.02242662936999 0.98266448149324 1.3503713936773 0.788192627041807 1.09502930248921 0.942853710647572 0.723129374279594 1.36335944672782 1.21296574368831 1.48973054294695 0.922612254704272 0.996693638113543 1.4739995824145 4.45237380194435 1.16250368247485 0.605447488623655 0.674603651298948 0.592977127183386 1.70775593557743 1.14925821370653 0.836618243909973 0.889056685801235 0.733855029188082 1.59090350056775 1.46445231945863 1.69841746537044 1.81562456203576 1.88111684099431 0.910164774661141 1.05570190115809 1.00330636188646 1.45339488429164 1.16093344659625 0.714111243632536 0.502695714600334 1.26151148789145 2.17293473939519 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0.377777587099468 0.628737890735608 1.10318652056895 0.887392064159438 0.357553292204022 0.834161353892269 0.884723521218206 1.17288611642627 1.49396932176679 0.810928155273161 0.895054472026062 0.41808602833289 2.13760300203931 0.941432203850367 1.01352576588327 0.741591801595405 1.33461183139843 2.02076772807748 0.800062351807201 0.826693437901318 2.1142954388795 1.62663852254819 0.659418984123171 1.49195861899328 0.753910573779635 1.0848842630331 0.620443384273044 1.63833091648576 0.390737038403565 1.30889886136448 1.81944289518318 3.86641268315843 0.485986574340229 0.784637429961474 0.673027695071061 0.636268730568689 0.300278294992692 0.494970382891579 0.447914789677058 1.0125132640599 1.14262832888576 1.05148886391003 0.788650254984569 0.819208360862514 1.20796615841363 5.86011743877081 1.029966049727 0.545257973451859 0.337085882463983 0.98744097314582 1.36838763374892 1.02147133103947 0.875390771360499 0.720449390639793 1.9957497804816 1.07314896647589 0.844615292209742 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0.460668308406911 1.17656716119086 1.78912790414983 0.497996447663094 1.15842793360963 3.08922314796542 1.05251852678124 0.369228525093742 10.810201670914 1.3026064771515 0.830643339082284 0.691415757846174 0.611997288554439 1.62883799684809 0.940365358708803 0.68187135506494 1.52287138652686 0.821642369483081 0.899533505515847 1.06841537744295 0.462298607953002 1.82399343303902 0.462055493108409 0.849706403072972 1.54504918070297 2.28204468164826 1.04134668462856 1.59142977270192 9-hydroxystearate 1.45468881302939 0.671404321261482 0.595176901101631 0.548838608085907 1.0087327900022 1.69090409445645 1.94865425221903 1.400354334524 0.354349993152626 0.193191936205227 0.6802599545116 1.44633638212076 1.16298250666652 5.60514085343299 0.545223831772087 4.33352487780509 0.639060149058907 2.81188876953378 0.55336014955938 0.581062211915522 0.358862890101246 1.5230606349722 4.35855532700645 1.90668417410437 1.27686138231412 0.489329698993095 0.719090250204398 0.881601402778896 0.341546541894325 1.37580206403955 2.16400665537419 0.991267209997802 0.531923100787247 0.739217865902569 4.52794761751336 0.605870229401383 0.970544195667336 0.998804663829456 0.422935204406971 0.32167326132411 2.93272552345483 0.828601950065 1.51001981761218 0.254984118250817 1.75932029552239 0.801293863567215 0.617764534473002 1.22124633419028 0.15540715811255 0.740836316690078 0.549450212641259 0.974083855934706 1.70723458715301 0.953793790680863 0.866573122952174 1.12413704428276 1.00119533617054 1.73274256764788 1.55187826259869 0.482086777369199 1.45022983496287 5.22200659490663 0.933259275816159 0.560768902421247 1.63177142242014 1.85619933931325 0.607816108108027 3.87485749783771 1.48810457359989 0.106960534470012 0.513285873727946 0.453776223201183 0.444337627523082 2.2537700932721 4.20419092785447 0.711623466863622 0.520775600490095 0.39647259959079 0.471287636456333 0.540524437859339 1.03752787435739 0.750385550112544 1.42108501239816 0.711624961968275 1.15105117070432 0.326169788569775 1.03614565010514 0.924850059692053 0.41625731947172 1.90344539391896 0.773186643632088 1.94914850052217 1.30000470957966 1.09278768990632 0.637936486459211 1.4357504939452 0.386515950150221 1.76330624452885 0.390233527871367 0.583929568609979 0.418794512068858 3.5671649601293 1.12336706538616 3.60382417868295 0.296226580120042 2.28246115157446 1.11477843670362 2.21151843576171 0.626178983463395 0.608973319109904 1.51664836409387 2.00415414827999 1.67617005021309 0.452624245065594 1.22556045866821 0.216411165740574 0.97679223801468 1.3267648402219 0.985325547825034 0.771308044634854 0.786982721823071 7.35997859010136 1.8837294488521 0.626549769417485 2.3061047365663 1.06266506889816 0.645773825053319 3.51545377547565 0.66482145834003 1.145333890509 0.178415323626616 0.60553981127294 0.817120293877771 0.579342587532771 2.15715717810957 0.327264205176202 5.4281755462178 0.911468125490114 0.837507540934097 1.32872267976578 0.289971809801757 5.33862176767718 1.56819134947399 1.13378644971701 0.664303404577562 0.833733149236114 0.430998303803771 2.97143752069786 0.740505151009308 2.04677135887819 0.979160483785964 0.750436383670766 0.800946999287583 1.40034865840522 1.58791551761644 2.09759295626296 1.13935421944698 1.12307701508336 1.65238293517451 2.83782450312066 0.440161052673284 3.4046336283424 0.626057132434128 0.661113598799132 1.17009955154336 1.33637761559215 0.878323897977049 0.760400508634603 3.09209022358543 0.812782995277712 2.55703338344426 4.47628053844699 1.75084080947956 2.03259926186683 1.13332371482673 1.49033078442908 0.393077964474818 7.09935942241117 0.320018180472588 1.39839156641367 2.13874720695762 5.79575151061636 0.52591128497517 0.714381934949492 0.669687276435132 0.471133640677013 0.899916946936493 0.869788345509715 1.45715590727062 1.02550499028556 1.09968086991169 0.838166882086329 6.79022709892136 0.711890343044287 0.533297849516222 0.628068048193203 2.19179352006692 1.88022641864874 0.253681134545215 3.30951880804277 2.26530258301756 0.834287833062595 1.04598568138273 1.82545101700756 8.1414697925318 0.903517158942333 1.45668644440939 0.294502724454455 1.06527253141402 0.539790341474427 0.132692033110588 0.949315952243367 1.90708896395976 6.6450173020986 2.2008493689537 0.258855691751283 4.90464297274649 1.56577600790611 0.87312840930583 1.61939868385937 3.65364480350213 2.16939834746083 0.175203091278382 1.7890788585474 7.48045711329679 1.70868857642863 0.343344803277867 1.99109067136927 1.81326740918547 3.68334879520729 0.647123904555509 0.598446287243991 1.21162159798281 0.234768060677327 0.200907678035193 0.629382992736034 2.27399063615956 1.34765369488951 0.246900834941194 0.691422360336668 methyl glucopyranoside (alpha + beta) 0.6469935401374 0.930407194513641 1 1.92994879156539 0.942989149119685 3.24985976488754 0.679136031074895 0.580693997937187 3.19931480822471 1.51624616238321 1.70081969685089 0.348426696355326 0.381621352396578 8.83170851400445 2.07789977147545 0.508866313137232 1.09219354271651 0.656835960389078 0.75784820696121 0.995627270596508 1.41149800773468 2.68413439001524 1.37686042423532 0.696692253603656 0.902151939528888 6.07929875190437 1.35839168522208 1.82422287003399 3.03173707957342 0.714791105121294 0.344273702097738 0.915720584788468 0.5054237958514 0.27010942810266 4.11336502402438 0.522039435134185 3.90416984061877 0.350418961678191 2.98350521504746 1.57745297667878 3.96740595335755 1.37842054377124 0.271925905308801 2.93101048869097 0.733552824329075 0.340464959568733 0.86136909644908 0.610684255244346 0.537776133833353 0.536446736200633 4.24071985233798 0.653104125161139 1.02935661549279 0.743166236962381 0.559200310559006 14.7258401207078 1.59827288175319 0.500904576350639 0.354575618188211 1.1641201804758 1.38890191023087 0.135400796906129 0.515205672096566 0.423528506972929 0.818106908472987 0.470376040079691 0.767967010430095 0.997198376889722 0.547327288175319 1.1945388491738 0.420580393765381 0.460740653931794 5.20602367279972 6.66197043829837 4.61432819641392 0.474983153638814 0.435983827493262 1.36239452712997 0.450090823860307 0.484274288058127 2.52245326965897 7.91230736552209 3.86722503808743 0.801403375131841 2.83424645493965 1.19568513418493 1.28841336575648 1.56229125161139 1.06989408765967 0.445333557951482 8.12408443689207 0.603509902730575 0.606022207898746 7.77871938356967 0.549238983944685 1.5460784600961 1.81258789405836 4.26975785186921 0.484922506738544 0.445978114379468 2.23425597679597 1.53400401382867 1.84273189382398 2.89148746044767 7.5193989511309 0.82243935309973 1.31277466893238 0.650108402671979 0.554673766553381 1.00280162311028 14.8384983300129 0.661065861947732 0.71476180710184 2.16151631899684 0.339992529005039 2.35262729989453 0.525075442400094 5.31070915856088 0.679150064455643 2.26178146607289 1.05107011016055 2.90195417789757 1.13585491620766 o-hydroxyatorvastatin 1.07214176363827 0.927858236361726 2.62155766177477 0.125092379835207 0.238111848223474 0.205422603898699 0.0870198076632476 3.55835355630667 0.0747175901343347 2.30107433114868 0.847957683764262 0.373700836971278 3.95819145396957 0.25818470468287 2.90031004909061 0.266319685638533 0.333108357110135 0.965546384622139 0.283154676329893 0.247161267934139 1.46881501041361 0.378113556450018 0.344951264774517 1.04838282909791 0.416665720970153 1.97713066917684 2.63044907842373 3.17654760248015 1.44799256503356 0.18629345301272 3.06076209600592 0.709651659159827 1.36185195648681 2.0662051269493 4.96533076581707 0.861073399388742 4.05870147307662 1.0365871067122 0.585792094494792 4.30144225686591 0.227443196987787 3.06477224741093 0.302667879547332 2.12589629631399 0.549339973516516 2.08747792296376 1.03445361537786 2.2883175820113 p-hydroxyatorvastatin 0.133679690155944 1 4.64274705037052 0.436932142891291 0.0856732864717525 0.0726680577549248 1.23642346648701 0.167121822703178 2.85636658240212 1.02147605889055 0.207589398995445 0.982523626312604 0.454694628668431 0.951113079000035 0.360254102840012 0.0818824851593144 0.643668354164108 0.055811716179749 1.27671010814154 0.494260473798679 0.429844800740214 4.7099154387996 0.175415395772455 4.29195936767022 1.73400695936399 9.52770322600575 5.40259942762872 5.21212968159181 2.93173100756322 0.296445958280591 1.92666116017349 0.157942699618346 0.277524314011328 1.24307538869688 24.1840575989974 0.388824123441553 10.1530353991999 0.493202815225282 0.790518142374966 5.25197207722526 0.344706963115077 0.0738331003003074 3.98715511173449 1.03621561230562 2.0633212391522 2.84503242481099 4.4445461078091 1.0174763736874 1.79352415808392 alpha-CEHC sulfate 1 0.821860910930455 0.161113026985085 0.277416156565221 1.68627049492096 1.34646369108899 0.203823985840564 2.65752879305011 1.45787035393518 1.24964943732472 0.1028695425062 0.0965733607866804 0.421325621377096 0.663890903374023 1.08819028516657 0.442927382177977 1.44102305979724 3.80432263430417 2.14153159755151 1.07887786979608 2.1719316573944 0.180044679308054 0.641316695658348 0.311115816272194 3.40503301501651 2.17720024038583 0.251546152558791 0.224148379931333 0.68092203688959 1.18422797604256 3.01180185411521 4.59433245444273 1.17613422348067 0.779000142873842 1.9595667026016 0.887707654141393 0.252630177553221 0.0963002169084698 1 0.694649374602226 0.228000675403619 0.860006364380252 1.12341052850333 2.23409554363497 0.599557091088569 1.04142692002961 4.70693977218116 0.716619475003572 1.30000584483901 1.90086178904028 0.400072735774311 6.95439726721305 1.64514358821161 1.21559013391176 0.204575859516047 0.798297852995805 1.40337506981336 4.96568754789521 0.127738956501409 4.38466184359211 0.347732202465223 0.367640373550155 0.528685170994012 8.34379343040096 1.54258289929992 4.90367055889649 0.920834902780845 0.432423919678924 1.34655998753101 1.01722279227442 1.55793209595927 0.108704264134769 0.435320362120248 1.3239079892455 0.777259679702822 4.62082905794184 0.479455390889844 5.52264225688717 1.37664791988674 0.327736358795184 1.44685417776104 0.352908132119339 2.17346832746685 0.16884441038563 9.59813809406294 0.615120598511514 0.656329960644751 0.517868971697991 0.847754932394695 0.243742775129561 0.577161616292814 0.117838448649842 0.436012001402761 0.59517021470042 0.693051785273604 0.615383616266836 0.850791001545635 0.917302022314296 0.427209024431427 1.20246847034069 5.92787468665169 1.56301710589549 0.377138236936785 10.1107434635217 0.406557259939473 0.88020353028276 0.324865893416114 0.555827953916692 0.562396903534179 0.55528892987492 0.874904209582938 0.793745372835786 0.591848397864685 0.597888064838747 0.31800794898105 0.687047836760141 2.13703874478835 3.13277201231313 1.19484420256913 0.957618422932551 1.4041154160876 0.213099583068151 3.87401449520074 1.06142601083243 0.319569819849073 0.500402644464938 0.156554012806692 0.971347300333805 2.62491719811407 0.789777376576483 0.295459858944552 2.26663830837371 0.857324232702524 3.25859191334052 1.03844280500318 0.656654673922926 2.02900988427219 1.63047304230365 0.694379862581341 2.25015910950631 1.15070267953397 0.793005026561546 4.061432505098 6.4791793846034 1.16788001194945 0.598112117000688 7.0713622371446 6.13802262602122 0.145728072112325 0.16971464197114 2.01219947786105 0.452494447402943 1.84870958943253 1.09871608369809 0.553879674247639 3.95706316322687 0.909275110077801 1.69162304684963 1.49824654829785 0.663148939486434 0.444357132651868 0.535932771362887 1.34310503825122 2.05867568936629 3.44112298840124 3.01663506124092 1.64588718161863 0.833652634723539 2.00748788819472 0.678101985946409 0.577612967749477 3.79730423036459 0.693110233663675 0.264894598069904 1.07620695925498 4.49594108402281 2.94136002909431 0.566861711109091 8.28128937148498 0.972172072060371 20.3185177488278 0.485845748204336 15.2870010780481 0.940775545193594 1.12989505266849 6.84173474821732 0.799707108623086 1.52001532646673 6.26780402904236 8.52668818433323 1.67395864451689 5.56089672818901 24.4594303230248 1.30520125728981 1.17009130937382 0.531692015949916 1.43181021158317 2.65370303022431 1.53385785351535 3.2084107233313 0.604590146900287 2.67988141471081 4.11654284266992 2.56348794014885 3.59351742411451 0.374495070852437 0.922676027068099 0.733936434128664 alpha-CMBHC glucuronide 1.89544934000362 1.7675155204629 0.228898197818094 0.890160327888614 1.77111084322826 0.268054969561811 0.380875173286722 0.16426677114098 0.181860647338919 0.428714363208969 1 0.574034114881562 2.27792779217648 1.53908745705503 1.64738111024049 1.32505273943704 1.22141221143994 0.251648484117895 1.65150684105841 1.07672061825605 1.10290901137358 0.206167979002625 1.83301983085448 0.823060659084281 0.757910469524643 0.663349372995042 0.263065033537475 1.71748323126276 0.585608048993876 1.26571886847477 0.897338874307378 1.32039953339166 0.431794983960338 1.69812627588218 0.544087197433654 1.41201516477107 2.46303587051619 0.566302128900554 0.748848060659084 3.00990813648294 1.39247594050744 1.06151210265384 0.788422280548265 0.570997375328084 1.01779673374162 6.70546077573637 0.497069116360455 0.774205307669875 0.729367162438029 4.4110746573345 0.984084281131525 6.54766695829688 2.08231262758822 2.1497375328084 1.02032662583844 0.220705745115194 1.00680956547098 1.30849372995042 1.48382910469525 2.67507290755322 0.288648293963255 3.08082531350248 0.978871391076115 1.14248323126276 2.22831729367162 0.735615339749198 4.84389034703995 0.677850685331 1.44539224263634 0.279461942257218 0.867796733741616 0.735418489355497 2.06419510061242 0.735360163312919 0.679381743948673 0.263145231846019 0.50139253426655 0.406955380577428 0.291265675123943 1.50424321959755 2.12316272965879 0.308661417322835 0.940361621463984 4.2168416447944 0.349146981627297 0.231007582385535 2.07174832312628 0.973403324584427 1.64277486147565 0.210411198600175 0.282210557013707 0.188713910761155 0.609120734908137 1.39413094196559 1.9160542432196 0.647747156605424 0.311942257217848 2.0416447944007 1.15456401283173 0.595800524934383 0.308909303003791 0.226560221638962 10.023439778361 3.94865121026538 0.588641003207932 0.817592592592593 0.71810294546515 3.62561971420239 0.570406824146982 3.03098571011957 0.211118401866433 2.67474482356372 1.39475065616798 1 0.902172645086031 2.55947069116361 0.520224555263925 1.06926946631671 0.664625255176436 3.91361184018664 2.41899241761447 2.14522455526392 0.354782735491397 0.995713035870516 1.22010061242345 1.40740740740741 0.420625546806649 1.10732720909886 0.43423009623797 0.95372557596967 0.397717993584135 1.91194954797317 5.27617381160688 1.2961650627005 0.32134004082823 0.139202391367746 0.68218868474774 0.948498104403616 2.26126421697288 1.10040099154272 1.30957276173812 0.484769612131817 0.589209682123068 0.236278798483523 0.970209973753281 1.03032954214057 2.39288422280548 0.788867016622922 1.13316564596092 5.26802274715661 1.23805774278215 1.73862642169729 4.63059930008749 1.0358121901429 1.69202391367746 10.3924613589968 0.608078156897055 1.29951151939341 0.87396471274424 0.856991834354039 0.20155293088364 1.92731846019248 2.4382035578886 2.88264071157772 1.39970107903179 0.22807669874599 5alpha-androstan-3alpha,17beta-diol monosulfate (2) 0.620204924855841 3.71524223207664 2.03919906769785 3.13327380321765 0.540971349870598 0.401658771358951 6.39331648328364 0.547358224993568 2.12794938931182 2.77528793909767 10.1892876061326 0.958255263118066 3.12832170478108 0.448564466574849 0.372424439634949 0.649651143432264 0.738734430100041 1.20188276603151 1.59068303240355 0.848364687542567 1.04174473688193 0.579558972651461 0.850035566721656 35.2222844429646 0.462327665629072 3.0946101386307 0.391485905242672 1.24170696206327 0.908966021031744 7.14588659866875 0.344281687990972 2.30160218494633 0.43856473884767 0.51499424870664 1.18233507961862 4.06149795297568 0.257674296897573 2.26301673053964 2.18247136619112 3.17101784263807 0.786776931589592 0.648326128316534 2.12309948374646 0.445182814808354 0.384704285394986 1.23387866133877 0.455491531152385 0.60473077950468 1.66782601111008 0.749935945310924 2.61307151774179 0.788107088537209 1.35316757251809 1.67982468095313 1.23478360418018 1.91109209156277 0.614657893445706 0.514350976084432 0.701984877641915 0.485741698784869 5.72259685886708 0.716845565507504 1.32745302201846 1.67816743623151 0.486510355053779 0.645284212018295 0.390308389256257 0.469670786155465 0.91965088831588 1.68044614772374 0.361099451037686 2.1101686137475 1.24220304518718 2.72748682108844 0.653188833223395 0.285929229108631 0.749445313649918 2.57771878083484 33.1153093432623 0.573063231518178 1.01023784732633 2.35707627141744 5.49790936397782 8.49360270828677 1.81589864640176 0.824849948483676 3.31126762866815 0.47556926901334 0.71421250892677 1.21102612886168 0.339255439197109 2.09109394506016 0.502074281633476 4.53706722198902 1.05862503202734 0.54095411503677 1.11168412043372 0.416600794823291 0.572616211560372 0.57318861516488 1.30953406346593 0.693486046980707 0.912929234560094 0.24096011164596 1.4799631481108 0.458626122319925 0.381635111782247 1.28470264995612 2.09987080032927 0.579773982348163 0.657593615246651 0.64175166405905 0.468373337985248 0.430529282532968 1.22509635460676 0.532935013110768 7.49455126283138 1.22415325152505 1.09978357692287 1.86197986229605 0.401903650844704 1.83883840228525 0.602021402443346 0.492201682321451 0.610154985090249 0.286174544939134 0.352213566510573 12.9673729945431 1.24588823410762 0.599252059290111 11.7462071446873 5.12339931420597 3.15180688737823 0.597976416971494 0.478442189961676 0.94642847408102 0.759688612439148 0.583955254392516 4.28193330680288 2.84846023430388 3.7483277637554 1.75426985831648 0.422630112790767 2.33430005942095 0.547653962940955 5.04798922790931 3.01486068786559 12.3414469272829 1.47323604289211 0.604392788804876 0.567295583769905 0.777100584941969 4.88647873656896 2.30866182940192 1.59357708641114 2.00177717690542 1.2672852259904 0.727083412833834 0.506479063656732 1.37596559036618 6.51003341746758 1.09235323299007 1.53057998113794 1.00656901279458 0.588354584952872 5.17164476087158 0.750628281099233 0.407458691539875 1.03636670900636 5.16996025883546 2.48636861701838 7.37246575118433 1.35606229931802 0.55746659616108 0.878399668551056 0.900385418427035 2.50711143335314 6.90887879762534 0.594383902920349 0.266423894852184 0.993430987205416 0.271144861723644 0.91259124386029 0.548995022814372 6.7089845560056 1.16885906332965 0.306148705004988 1.71291506075655 N-formylphenylalanine 0.731143397347999 0.620170489313822 0.993361257015263 0.443949077993991 4.38350854319804 0.749980643243743 0.526661121892616 0.661826228779376 0.65473291422834 1.77568891319931 1.41407723220864 0.887973085367042 0.601682913853693 1.0349145929961 0.747245720908044 1.64868611333818 2.00815231644175 1.18286514959651 1.49906463158473 1.48706094505928 0.38489473671065 1.17293700687102 1.55150270869705 1.07126283477822 0.621361866440879 0.570951877855122 1.47980278587431 2.1381123291298 3.52272982713792 0.682094625815169 0.754801099963285 1.00243520481946 1.71590525929312 0.997564795180542 1.75689808684019 0.711688217773901 0.540864243843133 1.42224652779347 2.08414197064952 1.14663038909503 0.739687331926222 1.84673931220255 0.555634398007747 0.779288338900012 4.07492644300519 0.886787762647058 0.878087472938709 1.93754773860262 0.179809000393208 1.31204888432908 0.915012858350244 0.489937041539929 0.571353674685999 0.912753042841582 0.805524796955577 1.28618303601694 0.853898407733993 1.40886390035118 1.19494976430124 0.775487329214443 3.95621833433519 0.520702169874851 2.73377113492455 0.973144352495062 0.502578449495383 1.55551236797028 0.767713563864646 0.956738091902177 2.17308830907045 1.36224390640748 1.12880496436271 3.53587909083102 0.934135417184541 1.00397275566423 0.647979498953705 1.15897350140335 1.11259756753459 1.00121126111264 1.06165680633833 0.792020139475813 0.98723204237606 1.51571249723173 0.924034041860823 1.13355961619293 0.394021432090284 0.939260678758186 1.52928946880777 0.438485562038715 0.433730910208491 2.17949714585301 0.689777046601915 2.0971042724072 0.620947585839092 2.58297364603154 0.831490077150102 0.93070953687341 1.64791170448845 0.585400687887841 2.73706594593617 0.962084815395671 1 0.44677004569347 0.507256267598313 0.563010435828019 0.796964615808765 0.920802505683436 0.719837112498136 0.568248688177097 0.685316170787817 2.811635338091 0.599899664191415 0.617969148998676 0.584216544561302 0.558771021933769 0.36540312848859 0.362894733273976 0.725070845216197 1.02110215721989 1.36637936878833 1.05884107621454 2.40630578919537 1.71833207536937 0.547024500919745 0.906502393144624 1.85646555815183 1.74387251024826 0.45266364454006 0.599176523228644 0.812010467465436 3.79813068061124 1.41943079766968 1.48874385895136 0.452785674577528 0.741025142707349 3.06057661452519 1.10667685090189 0.506054045747705 0.78582824498208 0.854300654894534 1.11492065787749 0.828407688796287 1.10867904744257 1.02668390152628 1.6331596288479 3.04885721129727 0.681022521321359 0.606398893594327 0.622755438246022 0.40034439588352 1.2216788621377 0.632576596446666 0.480549767916947 1.20350090618602 0.720686803129393 1.83511934085701 2.97510587235658 1.06628490850007 0.509394053069507 1.1125749693795 0.858286969451814 0.8885730168989 0.447380195880808 0.873314742584416 0.714937832475357 0.717459786583023 0.886787762647058 0.944309106604537 0.655265144153631 2.47685722937579 0.562635306453581 1.2803029960634 2.04065860063184 0.603284867823391 1.83520973347736 0.659124909042426 0.782122147547874 4.33838477426703 1.06417424081498 4.19155552140723 3.73444907957714 0.752025924603515 0.673800150955676 0.896486890810234 1.04382234234397 1.18514668462467 1.95344328089055 0.4243933525267 0.969515088788151 1.26805479600645 1.10674012573613 2.7728162272832 1.15829555675075 1.32560777738106 0.522722444939595 0.600003615704814 1.77621047017722 2.59099599108729 0.473060739321242 0.55701288546803 1.69494750448573 11.4871845862504 1.28688357882463 1.72233646845072 1.19003692538541 0.441242536959283 1.4241312139277 0.618488906565668 0.361326421310964 0.499410188152239 1.01677235070529 2.13603185435941 0.396877838893233 0.526799152117221 1.96019108999941 3.06609960362836 2.04861767085335 0.756143308460297 0.579425735682939 0.566404678722029 1.42587127186937 2.27894258712719 0.544986147330932 2.18036491500834 0.958071383052287 1.50608568316483 2.6093908893278 1.79836118179312 1.08938474262961 1.3213412457007 3.49406798428976 0.546992863502624 1.84235075048473 1.23563096308817 1.85396168256824 2.56210650962455 0.512015439059555 1.4373330561293 3.9674134603651 4.59853473562418 0.519314643152533 5.4198014074131 0.849134716641733 3.09152252810081 1.76753277862395 2.00902118351058 2.77221059672688 0.452396986310038 0.791812236449016 1.454213877979 2.44182556936052 1.78245660024316 0.362908292167028 2.75308351826157 1.13404773634281 0.971562481638999 1.01414192545321 0.869436899171552 4-hydroxychlorothalonil 1.10879862134501 0.374594633178832 0.638207591919794 1.17175208377892 1.29492122074022 2.32151286662445 0.109308465832655 0.759891955249043 0.860038096749353 1.07154434857547 1.72903781631531 0.29717291427344 0.149202133177853 2.68197879166987 0.999308245295879 1.29662000639165 1.66178975902899 0.563999446178652 1.80539208502645 0.945948002126027 1.00069175470412 0.529901067724234 1.64620159331948 3.31850926013044 2.08085687280678 0.187684104165914 1.54610373501867 1.75612338628086 0.339680399148076 0.530687170410072 0.57925824217052 0.228788766352508 0.590761649202721 0.943471465477317 1.61786196511839 1.52381177329707 1.76370389308995 0.880474349928393 0.84463396091807 1.03429958209266 1.27610671094068 2.08627967996801 2.72523942982942 1.65821687079781 0.414521120217891 0.194746640632099 1.47492185287433 1.02329681419 0.781910155747746 1.83501673302756 1.25856959992612 0.349976476957904 0.281292583219778 0.852598962528991 0.737511234609142 0.665928742869743 1.17361869116989 1.94664770701707 0.454295714188578 1.01747504661714 0.476295530749096 1.89830949714493 1.20242398541127 2.41273057294335 0.379170256198867 1.21991152963744 1.34040987497519 0.0882055827031396 0.436052805999191 0.942990144046594 0.844884972218239 3.77801535002943 1.10489730460465 0.437171236096145 0.69885422343988 1.25008160515054 0.356417193913961 1.37920118248564 0.477060638610876 1.57538483633322 0.61435238131349 1.32305641526632 0.69296107121879 0.65740918633575 0.440778596806585 0.531282044981649 0.737736403395706 1.02263316996769 1.08284262565869 1.008198219705 0.69268125187067 0.825391667653413 0.931699719312174 1.53960291071433 3.20622770686032 1.4631868098116 0.991801780294999 1.49432301405049 1.51390464917411 1.16507731677605 0.722127525178975 2.00023809004337 1.0600247452659 1.06262615436072 0.689827348708499 1.0094337884087 1.42328681610277 1.26012099803788 0.850425437675801 0.587154830336484 0.240553766938232 0.748023842048862 0.379819496397194 0.56514696446845 3.62678241853307 1.76065341736528 0.718814811488395 1.96525452863573 1.53786065928489 1.21669816134752 1.12347065804995 0.321889265676503 1.64359445639955 1.03052043221392 0.945603838926578 2.16841608480412 0.800759939359059 2.14589793520434 1.35947593077002 0.171479058137818 0.960597368766103 0.434919760054379 1.36139272507823 0.66508589564327 0.743473441415763 0.940501001609226 0.458878735699505 1.40760083399299 1.40030879685518 1.73501256009708 0.14953537490603 1.2145356513362 0.373249566873117 0.826471545803843 1.90917775688253 0.716423955332274 1.61305347726907 0.261757549350199 1.28525962088185 1.23534120485 0.788526898349744 0.903683045383479 0.931511619704959 1.07284771578658 0.68608759807181 1.38095190687036 1.98090916081097 1.16796617087875 0.609058478854575 1.04535784785241 0.970238744579162 1.27330046815196 2.12569374969153 1.23755900089453 0.709628645197751 1.30503994680679 1.59749416584073 0.337334404032449 0.14241512693652 0.86407049668252 1.50643446815154 1.31764516237677 1.63774811725638 1.37227983714133 0.847098743609009 0.557334264228687 0.494948106326269 3.88636983221219 1.24245149709706 0.0623035465884387 1.58900405282633 0.916988338883472 1.47656687714194 0.565474656013902 0.809971100867779 0.270973370984322 1.38278672533623 0.205593294333732 0.951809007725852 1.12916575494137 1.25203843417245 1.18999987926039 0.797150248585917 1.06959982020389 1.16571617760416 0.640761735625578 1.01563217884375 3.5442124102105 0.945289704109574 0.52844000395687 0.317580344268882 1.3245675668405 0.604410427411874 2.16560941836763 1.8166958736496 0.764403547372187 1.97694424138772 1.0226166477049 1.8503489692544 0.431493296939166 4.04922215093172 0.246862305791922 0.931643374159562 2.3142040834137 0.235199071025183 0.634839351708773 0.287231065751616 0.985085904116225 0.564589655834911 1.67527822537341 0.380024965562732 0.959041734176703 0.516114184087239 0.853281459076791 0.588964441760401 0.979160554665071 2.91652232634307 2.22502008619961 0.497983754379194 0.928123284888505 2.0770765677668 0.954810763957658 1.7581019987066 0.285923688751919 1.15662130740666 1.82972071232982 0.199984621586167 0.921297260291093 1.24130298800886 0.578025644670098 0.144873131263235 1.30220489597011 0.740633730453687 1.87711927146141 3.70469357239494 0.616103952993739 1.78074385345346 0.270331332797984 1.72036748054345 2.05812616781154 0.945469118937627 1.56756472225759 0.656880262102399 0.308423409673954 0.940265241628561 0.573270198519224 0.0386451490318695 1.67345251533446 0.704569019952327 1.70219743976947 1.0385612667746 0.792945968176004 1.4635032746913 1.34788217423658 1.32825753886492 4.02817066989091 1.67417674118702 1.05049690705359 2.04887899624288 0.800270838015524 1.49419443695412 0.587308402650934 0.966139740638602 0.537905565947871 1.07775652242802 1.09240181380554 0.744802636275306 0.52340939858328 0.344307646227851 1.75560057048408 0.745226707687067 0.452142312604178 0.7558062514735 1.05733987756156 0.884744507565608 1.38355289231742 1.44780521862025 1.03059626516368 0.641557557950248 3.27797351481274 tyramine O-sulfate 0.742938593560744 0.102084800265889 0.595551489546874 1.02333386442716 0.0509181927048266 2.18414736311913 0.137880524446592 0.430261383824938 2.01966417737849 1.83918650130803 3.53844005749519 1.11229893387197 0.0510775208539989 0.0896914687485545 0.204710973597784 0.220696897898068 1.09958865926219 12.3811163592319 0.471523948048744 1.27854500848894 13.418311772637 0.356602095936104 0.132158416723631 12.7008416980612 4.6116539118487 0.224366584946745 10.9820901454683 3.06411159137983 0.23324784435867 9.23378065139515 1 1.29178809013519 0.817235194046267 4.36221850660636 7.34243033334753 0.0986482271978501 1.19250294356462 0.20289918789216 0.380257714749697 0.326480815652482 0.369678742723522 0.421622869264514 0.53850264955163 0.493812675257158 0.102409944783262 2.5401678072264 0.333119464072025 22.6877843098732 0.423823845002947 0.247902409670005 0.235111470765629 2.37492426417754 2.24001626688686 0.393045905869131 0.729946322021161 20.4877785395248 1.51707679646745 0.117544744243047 0.464919716593461 0.383527578830515 0.893576915309146 0.41703132062666 1.09595402406235 5.54066927797829 1.13010074753489 57.6312390174471 0.614591562376779 0.155887335321814 1.70852596450686 2.86430201453853 1.38344102360485 4.21235156809217 1.48484253131444 17.6180331630165 0.978293872851747 0.283079552495744 0.358536474784265 0.438705848248081 17.0975559826835 0.307905789445483 19.2825478561095 12.447218485998 97.2566857042367 0.35911900519194 3.64775870051755 0.238749538028657 9.72717792869223 0.656421092546771 0.981255985019077 0.217286589847759 0.500770066729957 1.57697026484525 1.14413368523299 1.40307669479941 3.46843001185669 3.45095959519632 13.612716199154 0.764966841105214 3.5739999093231 11.9192508439135 0.197494294911515 0.531770576444064 1.75294665587703 0.151867325951867 0.287300150166447 2.3194849551905 3.15978781604679 0.0769599606517196 4.95633357559637 1.43470919505014 0.454728182244089 0.181474708700449 3.43209330378549 1.63106590699572 4.2126620677906 3.30518136067563 0.10022545575448 0.650364974534903 1.05951015237841 6.64046195760443 3.75707108107477 0.0767786068455566 0.739832852241987 34.5711628213706 1.39664687803544 3.6458654766926 8.23979369630657 14.7373351157298 0.433963171438424 0.419336712192884 1.40655813832075 0.284791422514525 0.725077247104178 0.128744715666084 7.82792821137061 4.82398376608656 2.54688614140926 0.512222834367645 0.327310646704925 0.50199832659897 1.29377255759701 1.00954992656545 0.27264896085643 7.29418747312323 0.448658325307512 0.291053624397033 0.340310417264882 0.34144250466093 2.31685257721619 0.940561290030075 0.191919039264473 1.33348629336176 2.8867019573846 0.23726573416005 10.6669588477988 33.2904394944625 1.27599988459303 0.249902797107682 0.419627977396721 0.305974096631353 0.349825996518557 0.392353464063782 3.16737445027128 23.5481844697943 1.16778112244267 20.9573530038098 0.40560603083839 0.136784734405977 0.0901740584371424 5.78438955896678 6.54245945986791 1.45607322297313 29.8983896606348 0.355387513240889 6.31694874968916 0.641893553559137 5.28280065232415 1.29060985712892 0.140708571302958 0.119050530391188 0.616899701727945 0.222578823645789 1.34011669842648 14.5446576878214 19.96998594508 3.51893155130321 0.686987452240063 192.524046552973 0.25074087151495 48.8936730877821 1.17659601653617 0.680488940852555 0.894222644770484 3.04862617622369 0.385703824504471 0.377691283613997 0.321834311315791 15.4192666436769 1.04760125244038 21.5309503626389 0.671863643920045 10.4355486433499 14.7777248065903 5.57956692161531 2.18772317165825 32.4145170974048 1.2351980259913 0.221356059346659 0.265139264610316 0.305342106094724 0.740148847510301 0.787506920983322 0.288193180272553 0.268612464776832 0.115643277063277 6.05218043604599 0.824478367376099 3.22883965163583 0.182903556870218 0.644968324909083 0.198304891469364 52.8325870807396 0.634144800023081 26.0570192853286 2.33313045521179 0.487157540127964 30.8894964546705 0.100560685517387 0.172005841790786 5.87964152397649 2.45781119694886 0.385876934955809 1.62697720300223 2.03974121361418 1.02360209875814 8.81859810760051 0.623255328298475 124.713316727553 1.76379765861245 0.66709348926097 0.123482707502415 0.155804901773558 0.104849977811637 0.543608033973613 0.300687358403207 0.381018851178594 0.303047705668268 3.51071567432703 3.02805351036396 0.654288811431885 23.6535867523792 9.80359932349535 76.6156577029342 0.676707988772551 6.59108975776902 0.355439721154784 0.990450073434553 3.53403337734369 0.592826357852276 3.22204163168965 71.9409720838789 2.51405560692387 12.0594483272172 8.7279734124329 0.303066940162861 0.806293526630845 0.260333388746996 4-hydroxycinnamate sulfate 1.07512391650583 3.20777783841982 0.924876083494173 0.761618877978834 0.661453655971064 4.30132921849494 0.510369399347921 0.899324392457396 0.523827770495109 1.26644482538402 0.426721790864173 0.601956236765151 0.615629726731875 3.96098282410675 3.74431783805586 0.432570333770293 1.07537225639474 0.62598231992202 10.0359853450304 1.28345265705354 0.376424321871534 3.35750731067863 2.7880071258109 0.656367853181406 2.52249000033612 0.396342980067897 1 2.16442472521932 2.1267722093375 1.60579476320124 1.64582030856106 1.70498470639642 0.621659776141978 0.829404053645256 4.7383146784982 0.768955665355786 2.13193506100635 1.12425800813418 0.67199757991328 0.581889684380357 0.691291049040368 1.59733790460825 0.444327921750529 3-hydroxypyridine sulfate 10.7536058840386 2.93265036456841 4.07753844684306 0.444447097780749 1.13613207246792 0.410394179641481 0.292968128124304 0.974297131212787 0.818320756519247 0.529316712834718 1.34662654822173 1.96366255930207 0.615268889101156 0.184170726271213 7.35621039895565 4.11207692552616 25.8014853376636 0.406151494889674 0.900929729041296 14.0803722100169 0.266182698124622 1.03719712166078 0.858081001050721 1.61369280733594 1.85083739293788 0.616510650491929 0.208432833444774 0.751281561435349 1.1709252714363 1 2.64199063902952 1.01808364160126 0.340803675103584 0.417338722470035 1.81557223621678 0.800737304966339 0.786670135341781 0.3885317986561 4.45188165049714 0.104885121287302 0.730991554622115 3.57302301381336 0.498556481240601 0.286311635078458 0.501481589583822 0.48596138349376 1.4971097899125 0.383849087251985 0.3890140290988 1.29634964245151 5.4767165182962 0.344947049828364 0.422230823408481 4.65544634869068 0.752958420314592 0.872875172111852 0.550383563556069 0.562033235829722 0.333576563600485 0.223279040107614 3.60299744290963 1.73554101814075 0.423563302263311 2.56833395727185 0.125754278208895 0.672083298963839 3.39888706289935 0.56026294249402 1.62117626157194 0.948820121699735 0.470041433747248 0.121877399255081 2.92666290188514 8.7828503626246 0.409635725661639 14.0083502008236 0.492084441088572 0.259579571195614 8.98467014803206 0.356450783941726 0.17735293557782 0.295315385054663 2.1326704779792 1.22519527160361 0.582375746346787 1.98244934994067 2.65509736613346 18.1084003274091 6.19620433880496 5.52507915558911 1.76408779132112 1.79388455657007 0.350372142308742 7.1768389794481 5.84882075621348 19.8283703783605 0.302688434718054 9.39275131502973 10.6597356615758 0.419826016332384 1.87429013775293 1.29919860914588 0.66167727362136 3.12433931256781 0.430600059644292 0.321895165639812 0.759842894397878 9.85401107860991 1.61514203590079 0.393753846739551 12.1218647089803 1.21279687311629 2.03416856492027 0.670186102880058 0.159174116915502 9.22613435193939 0.516570326330417 2.42649475574394 1.48398170062373 0.293862348589159 14.6739487693606 15.4890451202721 1.51519343151376 0.13615395841397 1.860578295823 2.26001738567649 0.512211216933903 2.35557515497998 2.64855552946999 0.74009048165938 0.695528581671436 8.10677597223368 0.737818922468766 14.3013876815502 1.34803713174409 15.4816339997843 0.426818357751537 0.804728396393424 6.92555884797685 0.974803459368913 5.50875311704875 12.5232454108794 1.63846041586031 2.34664754665262 1.9551842945159 4.94666277498239 0.272498270950057 0.538422979549622 2.00539336679336 1.04952379743783 0.234427446526355 0.278132752964765 0.210442827139422 0.143241476894182 0.329972525555041 0.310467573175297 0.791327466196281 14.5162213437732 25.1238507369877 0.656994562217245 1.57052937481361 1.09702984118121 0.498454959042138 0.521354559932995 1.50540922963687 0.876859918401533 1.18175646093616 92.3194395974645 9.05182708231547 1.12285455041529 27.6034416025279 0.552471113761969 1.4675604850223 6.31214268944994 3.59323862158235 2.17056363855559 2.38065113800039 0.292536214871733 4.45739557490117 4.89850952722381 0.275645459102417 0.802025367859341 0.657026287904265 26.5730293589508 1.73838998483512 1.80149237631741 0.234522623587414 0.74601683999467 0.947151350562496 4.06475847234472 0.204757584025482 1.322510643968 0.526538537192023 1.41853160830198 1.15083026122931 0.924480174618181 1 0.944461012303221 4.4847367719748 10.47035234548 1.51680509641436 6.50804880679691 2.09984073705116 2.89763389826207 0.461938693282403 0.325638796708143 1.26439553048521 0.719018280340861 0.997411183939188 0.325251743326502 0.201559634773891 0.509121135018179 2.60372713371108 0.767552236343678 1.6821466868865 0.763567490053997 0.334959803554546 0.866276229211744 0.228691442313183 0.464159491373786 1.504343246553 0.669919607109092 0.558213463112544 0.792165024333602 4.3864505935876 3.03361019282873 0.573270474172118 0.696118679450004 0.169986231051833 1.17873617553188 m-tyramine sulfate 0.965330703248752 0.829612361397531 0.747272781613318 0.956857646672047 2.17655937117069 1.47880988672704 0.947487970351774 0.441241519471592 0.37342717953316 0.519635972384112 0.790265698317344 1.08879524193789 0.736483457365731 1.39128485609253 0.346603305538121 0.782644430497026 3.08355001643803 2.68383693475597 2.69595624495651 1.90122239158373 1.03466929675125 1.2887115574285 1.49889416898293 1.68249200514062 1.26129083079509 0.541973007037076 3.81672093267514 0.39634754752652 0.775614431257221 1.34619525259952 0.679589854006932 1.20553250708959 1.2480569267934 0.988840457935091 0.983326331267724 1.01655550887512 0.414990547211427 0.445318243881945 0.420228967545426 1.20488919231173 1.1613801071316 1 0.819530511500893 0.816642159437034 1.06626142211953 3.15004988971747 0.381104925953156 3.59729807793299 0.691891608024367 0.600383363092112 1.66186587543325 0.61523211847495 1.01286629555719 1.3466285054091 1.23599149249029 3.91267986556034 1.69158964394496 5.37468490704758 0.760096103350488 0.709641844344082 1.23681861149039 1.144456989812 1.25437191471484 0.817718727024472 0.34398960193257 0.57749973742254 0.389888142001891 1.04983720197458 0.319950635437454 0.444228547421489 1.58234429156601 1.17611070265728 0.567259216468858 3.24633704442811 1.35572681441025 0.622269194412352 1.2928132549102 0.525837622098519 0.633520638588384 0.726368028568428 0.432438819451738 0.909870286734587 0.802489234324126 1.26811784476421 0.26702814830375 0.390899065224241 0.524695410145993 0.338081609074677 0.744617162062809 2.97934828274341 0.306191576515072 2.00575044638168 0.61101775023632 0.378019640794034 0.840444806217834 0.51291881104926 0.686351223610965 1.4175112908308 0.695042537548577 1.65077197773343 0.523920806637958 0.538743304274761 1.40078510660645 4.27532559605084 1.41689423379897 1.6801675244197 0.544362461926268 2.43916080243672 0.506643209746875 0.828760109232224 1.24579876063439 2.14893393551098 4.71671830690054 0.574637643104716 0.390032559605084 3.71530038861464 0.923537443545846 1.30897489759479 0.903686587543325 0.982722403108917 0.712018170360256 1.18027255540384 0.943572103770612 1.2534397647306 0.524839827749186 0.853127297552778 0.628177187270245 5.03527728179813 0.606120680600777 1.56799443335784 2.01046371179498 0.830256800756223 0.549915975212688 1.49665213738053 0.804773658229178 2.09920176452053 0.42821132234009 1.20549312047054 2.5721562861044 1.61150351853797 6.16446539229073 1.16522686692574 2.99344869236425 0.58662430416973 0.523579455939502 0.35290410671148 1.03041959878164 1.28397752336939 1.07001627980254 1.47313832580611 1.0989523159332 1.94673616216784 5.23243356790253 4.36290830795085 4.37517067534923 3.82424377691419 1.29496639008508 0.941143262262367 1.14046581241466 0.81618264888142 3.78958355214788 7.05910618632497 0.73687112698246 1.56979308896124 0.986411616426846 4-methylguaiacol sulfate 4.36379712272349 0.760436116931666 2.77861399392296 0.12616511444837 39.8856695201117 0.425613313203299 0.816399639484783 3.20937263506961 0.856246458546454 0.33030115189936 0.253995900470419 1 22.801305916937 6.69384728301585 1.20340207714569 19.8062572968204 0.282110763356747 0.238305122130234 1.51254767889807 0.346436869906487 22.0956278022643 0.72621759451165 3.01760744152086 0.463480751448998 0.39819580072619 0.42248032295167 0.570087879539629 0.35513257105914 0.583243499244492 0.206292144967412 22.952139103764 0.539696142772303 4.28777880516903 0.484394428031243 0.266459183750179 0.249192996699819 1.14321884185442 1.82390413687859 0.248603624937041 0.21750223645535 0.155837712275321 34.4502860407599 1.7657818572728 14.0408139945724 0.507403982769897 8.5068206250047 0.113475113326267 6.84372176240199 0.189269524819016 2.68313299203897 1.678578892372 19.0836802658187 2.09642543018876 0.494672349894379 0.383650947580494 6.10417446606978 2.16134352705923 0.0617306781534021 2.9484404952527 0.194405478751795 1.6390849702683 1.46203288153177 0.128630387226269 0.131625358020793 1.3273975177225 3.37296557738136 1.95823579381009 0.836850770167565 7.69352367635672 8.95379596009713 13.1381009299144 1.92062725994753 1.98866060756411 0.528519128271051 0.506565030107575 26.5614307300241 0.115856656367696 1.6440675672628 3.05808168512212 0.250486006179383 0.681136344842621 0.36822203679063 1.85530321824046 0.256184268885832 0.537034948843433 0.22414469678176 0.298258195951076 0.610547048254813 3.9996211181525 0.0601399757936597 0.963836329055878 0.272680664246033 18.3278380430452 0.713473609826872 12.0132728926577 0.365016576080828 1.06015952128579 1.14654157551702 0.54560188839524 0.746319057606579 1.29199010697398 3.32433939995339 0.245313968261128 29.4126399194124 2.94251069363945 0.0989392811769393 0.957118693759726 1.66827691451854 0.221919517677394 0.156926245837186 0.248859219834164 1.01408027183269 4.11583560737617 128.992252467618 0.286630131631372 0.650052998353668 0.441379310344828 0.236437307833984 1.74656112100915 1.52846951279102 2.99147365493185 0.798301045683829 1.19308089578494 10.8730009096171 39.0837855107763 0.28304278207528 0.253327620035633 3.50275065214286 0.0810747013674327 0.625972952045887 0.172746066469708 0.985919728167309 4.88167008712779 0.170496831375025 1.05396209678026 2.93253347165528 22.3219473324162 2.29549476406336 2.26028280823617 0.622166091578148 1.05815385309307 3.72430030896913 12.6224006374837 1.18802312382069 1.13234854122971 0.496106688317058 0.976958871774054 2.94070048036806 2.60247927050209 0.581640768889591 2.89040842561061 1.98185576930305 2.13076234936815 2.71827879389279 0.426735226239072 14.3758117017358 0.220554340226878 2.47905399818077 6.40827526066921 0.506571044105155 2.7135818617833 0.105169782669163 0.361567548469062 0.259879870398352 0.252611954323688 0.805244205889207 1.17352638265563 0.136938724882163 5.04699488058456 1.15819369582704 1.62193906316953 22.7350247701525 1.87371507182968 0.325961675800426 11.4130368432527 0.946311540109605 14.673910526751 0.372747569969103 0.808762394473136 0.362737270998248 0.212931598295032 0.859358156108342 0.175915443194034 0.141226705156251 0.671904858558294 5.89801462904911 12.6204791652571 1.62660291829233 0.965165422520917 0.243031656179758 8.79483096908053 1.5588462145644 4.94785112348992 0.569618787728438 0.640388504243627 0.806092179547898 11.302126699894 1.53995324116882 1.02815904016599 0.110077204693925 1.08341865692399 maltol sulfate 3.3230358798128 0.497759489950487 0.132445569849201 2.20342746037847 1 0.90526553774502 0.545585675205173 1.8539802401031 0.435255816056612 2.65894056204924 2.20672379100631 0.40064208360652 0.545843412990889 1.21167054780584 1.26913703058941 0.185784008515937 2.97783847837876 1.06764948080901 10.8510956235313 0.254602422221776 0.652152081785133 1.57815581755006 0.506561690333206 7.22294482717066 1.95676956757517 3.13380063869529 0.328811584888228 0.817465705276266 0.870634075799875 0.901082568438812 0.574777561308723 0.380646327502059 2.30889553917532 3.939994777963 1.6191447910181 6.68515535560064 0.274357789873265 0.501395890658579 3.68968245998112 1.38554299142381 1.01140412540923 2.23239671413364 0.276044909518167 0.844515856916186 0.327702906264436 0.237072445720942 0.423049267910583 0.298636244953705 0.988595874590773 0.822623471047822 0.858133322621463 0.273176806121834 1.13519050392657 0.216481552150073 0.899805177850529 1.30857016610095 3.88311474422061 0.319082528269297 0.229978509309285 0.30236397597863 0.389403281849404 1.38953584125008 4.60671232601579 0.214392737351624 0.468472955873787 1.77020627046135 1.85261001426018 1.42257125067786 3.25050111470405 1.59141979152022 1.4659944967764 7.77202996645845 1.08954186667738 0.329205246138705 0.290923698005583 0.568133523469039 0.771415372873526 1.02859667798108 0.360666010564582 5.2002490509952 4.22586515093695 3.24048283757456 0.394119182952058 1.10769045371468 0.32129185161381 4.09262286850509 3.20992990419571 0.317041916889273 3.78155014159754 1.71972925746651 1.99350057241559 1.99053606218241 0.856671152262548 0.404418646689028 13.3275703468638 methyl-4-hydroxybenzoate sulfate 4.36056253337082 0.54959426554406 1.0173268887667 0.164393248332669 0.982673111233299 0.172444721707381 0.0725659763317482 0.339986386157133 0.30781963354734 0.821564591976251 2.72232326560368 0.746683759300421 0.69912783576062 3.71720148135817 1.6753633615561 0.0460700840589733 0.0279655877410017 0.198437377644618 2.57327234746494 3.50104837267198 7.42464643521594 1.73796622349171 0.760568123459758 1.6122483314624 0.418321318877025 0.355812882732125 4.2430004733096 1.70038029287806 1.44196629145569 3.88982784245692 2.10976188402732 0.0654070435582656 0.0994601046927667 14.0334287062052 3.46640614490912 4.47486511985466 1.7893919965599 0.16301534314622 0.269095299667518 1.69113977176446 0.130383926291186 0.317095465707126 1.12183212714164 0.326231265565848 0.0402253535978756 2.03086463704663 0.476820818127071 0.0733343290258243 0.138877179345304 6.22190543339502 0.0132647111569875 0.021108096710829 3.95865068597742 0.0225113338874087 0.0130054494985995 2.5897365910507 0.0467377743749523 0.0331079629913134 0.90030219091872 0.37736885591876 1.73208302081654 1.22484965754039 0.561587971037848 2.01364698386657 0.598063804496617 0.419466711073695 2.23025141585856 3.35897656207242 4.13957517652563 0.0727813049837057 0.579379091692083 1.33861544889912 0.204259363758729 0.150097391536836 0.0339702085457868 2.45370393031212 2.96978637917983 0.174054212360414 6.88367400949965 2.62498356007339 0.0198800500120334 0.413344818258765 4.06358495362622 1.99966211874289 4.0879463986451 2.24923074772398 25.8400093502417 6.45385848265849 0.401371664729505 0.233336621805405 1.25683175205333 0.860770161716699 3.30347400692573 2.17987498315607 1.44123882992776 0.628714973172668 1.18031011673998 0.78423629928398 0.692368889309699 1.0672541992221 1.81793375350622 0.498317145347681 0.770511279916748 9.37245762315041 5.35440213971474 4.91803941879206 1.62334888377595 1.98575828748991 1.20509951093664 0.180885901136458 3.65150178717457 1.4490289846785 1.57140317428869 0.239491535630595 0.418104905919423 2.65495982291237 2.98094409287907 0.0698480034720346 0.122141173424574 0.14262732252234 0.145825298334411 1.62559781706201 0.363801620907159 3.52987119333317 0.524701010425391 0.231492001195688 0.874200445203434 0.265683076687461 0.101071821884982 0.0656165245546355 2.10009653388619 0.00153485393917386 0.348143314844878 1.75187265244906 0.512185658138037 0.22455642084491 4.78377571849464 1.70756569949568 0.170337168073379 2.57482955191171 1.36760672771153 1.62759515984418 0.495241479669133 0.371620084943823 0.58103687880271 2.00188161348678 1.71690920462413 1.27124635758884 1.44124708518033 5.38661195459089 1.72761513794478 1.78550895160454 7.27462953142544 0.0256858678973846 3.23924821984921 1.53016748680849 0.534332475896853 0.0841838725892107 0.0563200198499884 1.89268942674845 2.91434838633858 4.18339892462485 3.87273095183705 3.64167936057773 0.35159420511643 3.21789511347263 1.03866738884551 0.648299625326406 0.757536826555138 14.2564693192078 0.123938365271913 0.226361322786625 2.94154422559783 0.255098908342145 14.6048602526898 4.76960951039363 0.487815451648275 1.22950491906942 1.54656304144065 4.2740591207311 0.578546518318999 1.15641318543737 0.029928911956349 0.545134980096567 5.16481247658375 0.656440939830131 0.88617990699173 0.56697732700724 0.329529472604818 0.450929620292065 0.44433153179969 1.11874882924845 1.09362490262355 0.521922611718927 0.106301602264696 0.0911997858930155 0.914500835931937 1.69515910626689 0.446690119761324 0.581695196254903 2.5663856746135 2.60099223852446 0.709124754564429 0.926924835282887 0.202340445875926 0.354308119397198 5.62637828888824 1.19822568922062 0.333035151274291 0.8348978886588 1.43920842719546 0.177736055004436 3.30736663108925 0.674102780114008 0.020966121942658 0.488644092094429 0.920692392175352 0.240560240378936 2.85774243101885 2.90837166136121 6.97101921548271 7.38526331111288 4.56624116875374 0.418353264414046 2.14060770613419 0.0221583439605108 0.188541713333668 5.87772140777211 2.05829785375699 1.96461199076603 1.50135591549885 0.139263112402721 0.958785048000886 7.70828822879448 3.79157878181249 0.496825631484474 0.754115491645363 0.090355686318237 4.32121203306642 0.685026387311256 0.167436186654298 0.225800471830518 0.806388568624678 0.932645920009835 0.147499128671721 1.71134201026576 0.0174596644757733 0.339395550796584 3.2165247804867 2.75088309298769 2.36162823097005 14.2912544613653 1.03016003955824 1.22503442722634 0.178768078394682 1.05792116891884 5.82621669231928 3.09616323702783 20.7080531682657 0.224591466728441 1.43448794138319 1.23995427758275 0.277415426056992 3.34503472550575 6.79545335734599 0.0774708335988546 2.94940275876133 0.0305870347091899 1.7814087389909 2.53787538108261 3.54928221260394 1.03173169167512 0.969839960441764 0.445833208969122 0.782201613165913 1.34234179981523 0.719463796424381 9.40703856462653 5.01888204059875 0.0538345657899725 0.451169412015158 0.895722433798764 0.758220844321922 2.07323363052048 4.83324457963329 1.99247736216021 0.863901083071614 0.590769081719388 1.15318736761783 1.88956485259244 21-hydroxypregnanolone disulfate 0.245513084975741 0.17915813193786 1.71689791861186 0.97801839882456 2.15937686225973 10.6406366485477 0.405150512807522 32.5586598244078 59.5730174699566 0.468361790471503 1 0.821030054308621 1.10803579398914 9.09906075761853 0.764101302104067 1.04077179080131 1.22889142537271 0.870903177747748 0.0829284434590059 27.8771044433657 2.29960247175975 0.154896069762052 12.5700528725679 0.200589222276159 1.71158283879188 3.20483856155128 0.194231977480688 0.421550491334409 0.486456779919212 0.432571076212592 0.127760066123509 0.0588522556484142 1.81631338111836 14.0712518713857 0.609464583251335 2.47824673573483 0.097124006361618 0.708399114271512 0.22757361998516 2.81412821488391 3.43189030727898 1.14473409923483 2.53055078142652 1.47174080050846 0.342334935399839 8.68340308663842 0.398191516190493 1.01836181046635 0.202681092553962 3.77506782178723 0.0868337538940129 0.479219054532944 0.182234700556423 0.208841541190894 0.35904948913175 10.0834532332151 0.184465057019865 0.709300003352823 0.495652262645611 1.17819090393578 2.04940749778787 0.638677879674455 3.06398936426094 8.92900323474575 0.564640249333444 0.123547170581453 0.285033725030576 0.969193383567375 0.21992772478859 0.457943203170896 0.108379288880726 0.181282790248823 1.30700638056879 0.966898886133743 0.130847579188588 1.80394292036753 0.0717547949019591 0.319008030741018 0.430366959236956 0.394837234999395 0.873850746877865 0.0826470978397613 45.4031609836309 0.115802148430952 8.39431827624058 8.20320442456074 0.279433052133489 0.580812520317381 0.312273228871017 15.656565921611 1.97582176973683 3.29527149852257 9.82465170724312 0.305394109818088 0.90595184470888 5.01200310792156 0.743471105221804 8.89997798798523 9.56541139872505 0.203087804614943 20.9076705311601 3.59427629306009 0.981638189533651 6.49528345206702 53.9817883377139 0.80822287237842 0.148691888645445 21.8948612878632 1.58305891202337 0.0772067773681502 0.593939552966593 1.43510756003376 0.080749108221852 8.69288428823203 2.08518212391161 10.3349164490976 0.107816597642236 0.12326145171424 0.341257658650503 1.50163049261723 7.43653906986847 29.3650670783351 8.51821676440876 19.5901435737308 3.31000205542655 5.43245008301882 0.566194210111241 3.44880748816672 12.0617444303043 10.8498255802936 7.71911794503994 1.13868735504505 10.3639067098744 0.507892983706736 74.6820794502536 0.0732198329710826 8.05575745383672 1.72750875014031 8.64493016651871 1.65913884916522 0.151101548275555 0.517904806053741 18.1846210361974 1-dihomo-linolenylglycerol (20:3) 1.06417976098469 1.72062693681179 0.864890991821591 1.39212998973661 1.65664473994846 7.06839321969876 1.9739165658137 1.05026453711596 3.89105270613145 0.245794617806616 1.37890810410511 3.45876377046777 2.79677237382611 0.662749347044366 0.579696621032254 0.124471609165981 0.157644985971705 0.896775852942711 2.74632269800522 3.15059728976817 0.513766118871474 0.204240297613575 0.400254969545304 1.02092937144788 3.48529576218747 9.06428289194112 7.8574245590841 0.979070628552116 0.865908633427849 0.670818412479094 0.623650289139441 0.737665910372986 3.48052440227534 0.734330928601072 0.478614615768848 0.642687269663843 0.678871236365884 0.99605028165896 5.81364745419571 4.24931804971998 0.454597013734443 1.00661728410514 1.0707593331555 3.16322138683693 2.97426542201125 0.972553799169065 0.278773921063522 0.527198610049604 0.39529726148168 0.460676873300014 0.897040566556548 5.18323673511854 2.40450935955736 0.754517456127931 0.595622845314824 1.57645000973935 1.6245757123222 0.99915592273916 1.16192280643564 0.499518508290967 0.399399523906005 2.37356090302968 2.6101544293717 0.548916193845198 0.583422447761474 5.25202864073834 0.594962603231275 1.51017860174182 0.506540229786149 2.42265662952675 1.09981780760514 1.34109873982942 0.935896282539804 0.627894915118996 1.56459850788418 1.18674603131143 1.99681143752068 6.79542273876865 0.43935981550771 2.97461744681883 2.56472914820166 0.620652591411064 7.89505905802855 1.06774287169322 3.24090465681884 1.99856217423038 1.19232992703699 2.03665908118396 0.829386092203902 1.44196245225175 0.519832686520344 0.473335685380566 0.922758716720944 0.559774203465645 0.89602673511072 0.763760845297614 0.448396683456946 0.871879397865478 0.87801245229086 0.309634762527976 7.22372741076367 1.31818583624275 1.04465943164421 0.742522015240327 0.694014561310596 0.907498050173705 0.450551075279332 1.66625232043019 2.65404488238069 0.988360495306727 3.23020466722313 1.17532791110826 0.797696036748261 0.582130125578983 0.600413511807303 4.80265254603898 0.691239041272171 0.430524775114819 0.630229230731922 0.257384893755002 1.81811738697461 4.01278710556598 0.648706621743086 2.89199331309321 0.173141445914517 0.536069635200603 0.946206698015128 0.0979990127659841 0.612842334346904 1.25820550269534 0.902707383681225 0.572464306640205 0.929104550585574 0.294280222698716 2.43114590333086 0.462183539476453 2.26835868042328 0.670153537575519 0.574804880471932 0.347401548439787 0.66758453875754 0.514107980871754 3.2855633061857 0.835079506758485 0.529476601693318 0.766118629231045 1.06735173301813 1.19532917839757 1.12412629398452 1.94795665244747 1.50446328342143 0.311695281068341 1.07761834096184 0.548561039928218 0.815378633971646 0.460421850883856 0.651092567661124 0.979440968960017 0.506341531339204 3.86238020400229 4.69730638440014 8.6216742456304 0.321792917104416 0.346821098645956 3.65600918080698 2.85293264044421 5.33917590210268 0.253292018658879 1.10740589790185 4.45405411325342 2.35419171583932 0.741966598321702 3.55064424451174 2.71012791016953 1.00084407726084 1.51073558321514 0.518557574439557 0.377405013928448 0.397105886715288 0.319519619124804 7.67899405390986 0.537826630129099 1.7825394130886 0.633292628835213 0.941861929612249 1.446634212587 1.2034445236283 0.840563270983221 6.30127847587339 0.648318612177399 1.76661850445781 1.08592143275661 1.10598528223393 4.54015781663262 4.12059900541258 0.73419076146095 3.52629195060075 1.18847329970062 0.849546944072645 0.424383897915935 1.8895127116158 1.98772919748514 0.274050530423157 0.379102555778331 1.47482592373265 5.32610561213594 0.175507052621451 1.22187028433435 0.595270820507244 0.467176033525278 2.13925475565958 3.0210737695364 0.231044050819866 0.366005668381679 0.922003036800673 0.805950627347321 0.326029731232971 6.16164040431223 0.506921981133035 0.636110391850548 2.76394076908815 1.30904101401919 0.526012677586737 3.1524431695062 5.39139917344575 0.417665700032621 0.55371468311118 0.575455735227279 0.412108401736969 1.26152079410538 0.467770564311412 3.75319931879288 7.69821930206779 6.17666795220911 5.68841423776068 5.66378658222244 0.222888027166928 2.18866965131552 2.28481466676158 5.07757766253963 3.66503040320922 0.930004169538276 3.53052876472931 1.64890453791268 15.8430438724606 4.09843865263678 0.495647799962294 8.60332827721406 1.03491851407982 5.85052400848302 3.37498386552965 0.705160448995908 0.491906949673751 0.450429040012704 1.28982515318946 2.02507824729195 8.99439185367659 1.2087624450548 0.970740480271356 1.94655324688126 1.40400635522119 0.424659259543197 vanillic alcohol sulfate 0.382983783462402 2.65087127349119 13.8789482289638 0.175681634634917 1.16432064449961 107.278961111029 0.465736185224272 0.357160198383796 2.20550856905034 0.586629407771849 0.663713701066734 7.02015052197135 0.835679355500394 1.95267327615679 0.413068359171782 31.9446764867637 0.269155877937482 2.90332010444382 48.1548880970565 0.525949433710412 0.124720326627145 17.382879846272 4.41415623187302 2.21165367309962 4.70101656651803 0.114001473674309 0.679180207075876 26.7066245915481 0.79912564977167 7.54998734610966 0.191367135271208 1.3206719775679 0.348544130722526 8.8749818030338 3.36920468619472 0.454482948602809 40.161221761108 12.052832791717 0.214497998893624 0.516722172079471 0.202233803580267 0.210153123271288 0.178283236618791 0.187900193279776 25.5483792942041 24.378510334757 0.433045242697138 0.220141857949443 0.426053128422429 0.937023939368828 0.204710830610321 1.51787557978334 15.8165208296473 0.188065925648876 1.6100899658009 0.45562067892041 0.240087972533219 0.336293373168825 0.56185960676636 1.06297606063117 0.26781902921145 1.78420749692611 0.32892052237051 1.12766095636536 2.55107804426846 0.204285301554525 3.82097320734687 0.610369919127083 0.728787936475231 1.32975142384262 19.4764200912424 0.389121685632571 0.822332660698808 20.1447201922496 8.30388597613006 1.79995655124378 41.2499087352157 0.715184444449421 1.10648304714638 0.371003106362107 0.381601019478033 5.23899727437442 0.48662159044844 0.63599124753921 1.31375153134469 2.17674685276471 1.60024904647897 0.754678020080492 12.9767773116866 5.01971991229622 1.93629158146754 1.07145080772134 10.1351390696143 0.641747087925501 11.4682812881436 0.289579241348882 0.726037674998824 1.2915254768725 12.1401289577002 19.9049009749095 0.298148052756644 0.771112400140649 30.3328488274435 24.2470308150225 0.407038698508185 1.57265236739731 28.6509340362775 12.3863848619158 0.214986237494485 0.106633102129213 0.835358329059379 0.201606708129621 4-vinylguaiacol sulfate 2.98601515025389 0.766265117551224 1.40658334423422 3.89202173835488 0.494654600373405 1.54461238420283 0.764552686970068 0.94949518973493 0.667015495118384 1.11794365627713 1 0.409648130940519 0.269146804294527 0.27111718146502 1.50959999104374 1.60731278618049 0.896611175173248 0.940049035522766 1.53920042990047 2.10432923211267 0.438890319402618 0.431904436707231 0.41446212061843 0.610223570636902 1.85566987226134 0.351454832461964 0.459310591896824 0.630979702876079 0.865219484343338 3.5707376599532 5.65883367105897 1.34433460586859 0.453589780907493 0.489515578294504 2.78464673152492 3.01971496702977 0.540219204460217 0.256641626456792 2.0493825778355 1.07036261657132 1.05995096447723 1.46324015091298 0.421235292142002 0.529426911321832 22.1767070071538 42.5230679668171 1.26851986610392 0.84254895155783 0.655978863226717 3.61933656505044 2.98383395094209 0.435296620131433 1.94796413017924 0.436304199366345 0.388209083886569 5.34111035231687 24.8071493344379 4.29935179069221 0.489571554918666 11.4538696640283 0.683105135295501 0.523258287339207 6.25912698856957 1.70859688993876 0.506689206587329 1.72612876862622 4.67689173001355 0.833268027271811 0.483749986005844 2.0189984662405 2.89919729520952 1.74054834701029 0.516955319458594 6.7271923244853 0.54394724762939 2.21894696774627 1.46787501539357 0.554504438946296 0.382264366400591 vanillactate 4.51337735097987 0.521434751570062 2.86872937700884 0.396399632857298 0.508547911135675 3.12650829525379 0.928590744450914 0.82042971487224 0.199682204435321 0.67111317272485 1.68218469646576 1.08028910842882 0.315812467718748 0.221808144909514 3.02872463968365 0.310285588333021 1.93495126147732 10.1186147271597 4.59167480894433 0.716279620619208 4.41533840621906 2.18494517533038 0.22128309136787 0.267960219627659 2.73780418397929 4.96408646934391 9.34822037773589 1.07140925554909 1.16794673141011 3.48652921844004 0.87175336958703 0.201846898861397 0.191930098135007 0.396886524612707 8.51449325424632 0.426240833769233 3.28287154216294 1.62064719733474 0.670599065586037 7.90895603288562 1.04465093119161 0.229942899939556 0.391055024866374 0.23228605793855 0.213330493141819 0.329113975573901 0.191193280685771 3.47481376506958 0.916249400473109 14.7711635536494 0.211805473112364 2.55132458979471 0.434961762564964 0.137063210316408 0.261029429223264 4.15670123514411 0.354020374756034 0.257368838440816 0.1709379212376 1.97105311180744 2.6422165976179 2.43572020224154 0.420787488323217 0.269822716421576 2.30715721477614 0.175612026221118 4.64071192927923 0.502655556452537 4.30197974464055 0.440979079140263 13.4331972709739 0.539349654937083 0.128917106885045 0.176971519165526 1.05221768982531 2.80556469497225 3.6906665110893 1.08417120113644 0.449060057161116 0.348556624170075 0.259885664201172 0.251199562574326 0.156022845451295 2.35809342647172 0.109820437032208 0.135745777532955 1.22834393543358 0.805879467789718 0.187346811127491 0.206410918275072 0.0979554013048147 3.00392855471111 1.10017170043125 0.344605682599101 0.502081638772413 0.255685075223241 1.36762548004551 0.305013503346836 0.138821596400193 0.539583020991412 7.93363313635158 1.59223352344074 11.4943364636495 4.39804515226118 3.79456189254443 1.45304288304765 1.02031302257206 1.18221886343948 0.909089675655104 0.959403125612671 1.26018754761448 1.25694891522096 3.87097842110226 0.54152728585103 0.375612161899057 9.86063162150739 1.02837500568151 0.216653245857244 0.598001870998773 0.231575105540477 0.266186547668069 0.541768792581673 7.33869487320558 0.571228543382003 1.19221154361469 0.283296892500334 0.229894055881673 0.275523903400021 0.384767709193334 1.74565949314793 1.33263821002809 0.185269581888081 0.256050048877977 0.485572347207986 0.732160216650532 0.149169752774444 7.11675154452373 4.84242025020369 0.63721415202306 0.764653726157146 4.65483871624248 0.41613780536864 0.53313153501271 2.24438310294089 1.0509341765265 0.415240974194735 2.20032983306865 1.08892128576555 1.57907412017945 1.38205754237052 3.28796896231477 0.165407688461745 2.0492904383008 0.33996956743838 0.125294505925395 2.00167019542372 5.50763968552567 0.190003385164567 0.293966605588981 0.244494358850509 0.565129820043566 4.58597809208326 0.425097976431385 4.668202993191 5.52571063016297 2.7381517544175 6.12150502110131 0.470381845206397 14.7466099171076 0.736170856514474 0.290273452101278 1.04831966265037 1.05830284536989 0.201940330199399 1.15996768151503 2.6965610391302 3.04935759888039 8.4883863076538 1.50049217172214 16.3110959453327 0.405849347287357 3.00276986511578 0.508520913736645 11.4715032233686 0.671160772251691 0.226830448028905 0.716858458739321 5.54586151759845 0.641289917297513 0.116573128034522 0.637538422296227 1.96865568263302 0.183835466077463 0.174759968766939 2.52671939563619 0.116095541690778 0.491648005296867 0.254468044114325 2.93463104758972 6.6614204530422 8.13821240245604 0.44371027604355 4.54993660448321 7.86080800282753 1.32427230833626 5.68815918278464 1.27639563415529 5.8260296768355 3.54542870497443 0.338941128664068 0.568649305769908 9.07467374543698 4.25979611676172 0.270123921445187 0.199709784889412 0.290422697833698 0.403723273990064 8.55179267868276 3.6153991746711 0.542202961985077 0.89447309133364 0.654145401976421 3.56721179801083 2.44309294142309 0.378290444406304 1.10372239208346 1.09966155138225 0.448496993716076 9.72229982246542 4.1026607122142 0.491984486584505 2.10038132284633 0.218649068333515 0.956133287293286 0.551935140518249 0.259237123654838 0.467890798254368 0.124709734010185 9.80794109406619 1.06622779376139 2.87793802096089 0.295155144330799 0.746011577398498 0.736272614968397 1.81694875240744 2.20336223499555 0.671414489996805 0.150626933834618 6.07950727199831 5.17233336883573 1.45343906262826 4.23521127429398 0.747023734820183 2.70284835480324 1.05137377304744 2.91484784736775 2.43687482149871 0.73263373265612 1.77607713019452 0.168402100565845 0.402811518242916 4.83168541170453 0.168965164010884 1.15415116828881 3.9147861139057 2.24233300928919 2.39415390898317 0.0872816178780106 11.4035584252947 3.3895510349174 2.10758446460468 0.312942522076497 0.709871044903292 5.29942696422648 5.70730469669536 1.26998349477877 2.49078645038699 1.42342981617675 6.16473743944524 0.257674113802584 1.07827735148523 7.16561595409744 0.570310003737927 2.97727869401843 1.57326167729138 0.97968697742794 0.316345324775674 0.507896795219252 0.175574036398321 2.61885828371478 eugenol sulfate 1.42522189349112 1.16846153846154 0.515285996055227 0.65784516765286 2.07918639053255 47.4515039447732 0.963264299802761 0.634122287968442 0.216740631163708 0.998427021696252 1 1.88505424063116 2.03897435897436 4.54455621301775 0.757608481262327 0.272505779060808 0.387354438210173 1 6.5109449442714 0.246589540171256 0.258576343292491 1.06479059722388 1.54614566489044 0.34838783195685 0.709153164103622 16.055923944304 0.600257208903552 238.584792116601 0.211231455455108 42.9641426912516 0.215485712425252 0.965900828060732 0.872980041891408 1.95552565034783 0.142528461196184 0.591835516534083 0.284590256449215 0.881705609758745 1.79133520723224 0.301873175390426 1.10650293565436 0.555734022117795 0.260915099356435 0.165047806127432 0.145692022182911 0.590511487579089 0.284351497129462 8.33858242080245 0.25753448444266 1.5317441368308 7.05864797108842 0.49398217987259 43.9256536036378 0.180029953441933 53.7154205962472 0.272777096469618 1.48563103002941 5.62770910432697 1.24237869398652 0.158362545174349 168.01077130113 91.5665867184702 1.37344670783456 175.636212191919 0.208344638225367 65.4215512844166 0.253312785561573 0.547979770573999 10.8771474772907 25.8782110415333 10.9624876550579 6.0753665498193 0.451922555158829 2.79711969438807 11.3588444048924 0.415381526540269 1.74527093756444 1.93869311830524 1.18638963350444 19.6687974127172 0.219881054447978 1.34244055435573 1.1130850959921 56.7405934254366 0.637948623335468 0.683860955254333 0.429045071247952 0.543323963838816 1.14064009203087 5.73639885829634 1.1057866576951 0.202858600219224 0.263970133379638 0.121653299762326 0.512941840400248 0.304906504020924 2.03928676079572 26.4279869333536 0.803441390013349 0.53388211801222 1.00387441259781 0.816090207612081 0.709174869496326 0.755580999099226 0.427097012252694 1.30505844176986 2.96265587185136 46.4285675526085 1.11223858567661 94.2623368025786 1.05219604310691 0.475364379280032 2.70424774535233 1.30233984133358 pregnanolone/allopregnanolone sulfate 0.349464151903745 0.168537657820696 1.42581897100199 0.902306691738891 4.16750908396839 0.483178752703983 3.3520055422811 1.97809243733122 1.12202915352967 0.421319402225396 0.378589404628936 0.582487381413564 25.7558285851631 1.28815620184083 0.647149684005146 0.635648036873136 0.395216247932249 0.476328662924684 1.11999321353335 0.149051308515602 2.16425016612705 1.1236268008879 5.72792631028291 1.09769330826111 2.99922591864723 0.603398181792476 0.336231381306507 4.50122137183907 0.48320433044974 0.746406348242742 0.642304273356026 0.256979525760828 7.72557436998172 1.52131257723912 2.50870859802412 2.79694873851802 2.79620073860475 0.218372612362596 1.40803575945479 0.904751064183452 1.56287535502894 0.231612572180185 0.773370480382167 6.23776640721549 1.06131431173167 0.791214072516243 0.467810709046101 0.672441081456107 0.335660444174635 0.285421590096048 1 0.485180929254385 0.340979554669037 1.50820993141527 0.387539839125816 0.541396555586873 15.989405141325 0.334305371867976 0.537045870100962 21.6227008939864 0.173387825307692 1.16617884063627 0.244025034509175 0.456901473595964 2.9022577311392 0.688344210047048 1.78683447882112 3.25691809581626 0.705732497886087 1.5897780572238 5.87700641039539 0.263711524980306 1.00460363231649 1.06692973137047 0.967919114830634 1.03214231511393 0.291246594251603 0.300013008694144 1.15878195260499 0.156411479449877 0.995613179252578 0.841301158496484 1.241437749785 0.636114303059211 3.25397668552927 0.933666500444464 0.74248205884266 2.77077958213184 0.573235334504116 0.29286545396729 1.15063706466044 5.98633725762273 2.207261019448 1.24130043579125 11.9733827663711 3.0587270270075 3.83893068534137 1.54814662243711 2.17726513886781 0.709685695495378 1.43213797888255 2.57944698595784 0.242030368073774 0.63670692134799 0.259631853955727 1.32189290953899 3.15146094862289 0.215601037804711 0.981177142278979 3.45566564765229 1.32134004003787 3.1964674168347 1.49133115076354 0.888168592676105 0.327421604550152 0.816151016484906 27.6148739963431 0.597698906546987 0.681868771184297 1.89693500711865 0.8272481552949 2.09422630791579 0.261127853782278 0.861023784229127 2.68362494489373 0.162489430436008 1.16019845485622 1.28872796652429 0.273749900628031 0.431978983731905 2.71068302871308 1.85905441247678 3.45905874870817 0.735504339844908 0.249954830923111 3.7382975955597 1.24306022302683 0.757113226228418 2.42927606617089 7.13389921152859 4.1619582420918 6.90090988588484 1.74166178840636 2.07089015603206 2.70721404360803 1.06432799254168 0.570326445952489 0.382654351769544 0.701436015292443 1.36736190909814 0.232837557545404 0.421709342410511 5.86719930042134 0.729090330926725 0.443791600719814 6.40377902564881 0.654171093236202 0.57371231995606 7.0874654004871 1.51914807507462 0.361023784229127 1.19377172632598 0.385783665416387 0.450129725588824 0.36634650824968 5.49298253221459 6.7243493846165 0.153592929052028 5.01823023943224 16.5363231648707 2.69152049953386 1.10142083848261 2.78551554177598 50.6244426135912 3.7852698219977 3.34621916758812 0.401502504173623 1.19554596766617 0.451954556295124 0.647973895887085 0.402387818080639 0.229050582139063 1.84614328353894 0.837134762844279 2.26166988270494 0.493047575685305 0.503667729043355 0.781157629237763 1.76400422059854 2.75044627047966 0.215857598161438 0.333459806748621 0.348896790466073 chlorthalidone 1 11.0392728596724 1.01095856695506 1.35257091540393 21.1004028481087 0.0777727716987253 0.662772095369535 0.688450229799369 0.989041433044936 2-methoxyresorcinol sulfate 0.725904256940001 5.76588692175126 1.88130812959408 0.869569633624849 0.175119264067065 2.93591058834683 0.911932501108843 1.56898355527115 0.328793003626169 1.08806749889116 11.8100713383646 1.10670282678693 0.436460777442586 1.64972761407536 0.406097110914736 0.712977352523929 1.03933978208494 0.852484807076846 0.678359523895142 4.03522241001115 1.40116509043835 0.595796324930778 0.371138839943903 0.756041209680319 0.398189435074976 2.24614333489158 0.188787802509979 1.89931317199468 0.584235319500881 2.24595454708907 0.612571469668093 1.9953342443094 0.303570786436046 0.51732352835413 0.177730231220109 1.46633284188572 0.714157287209177 3.05637563378762 0.162564277751807 0.214642741558488 0.248795354022079 2.4759250602323 12.0397623071668 16.9999190909418 0.729664856701068 0.883616814700277 0.804263008378582 0.396598223596677 6.61170843971376 0.565725124959546 0.633724693444568 1.72860404904887 2.09052824625121 0.261264338883095 0.6881045704628 9.5146355496422 1.03826998453738 0.561553813513611 0.632196411233773 1.63868711568197 0.587354813189975 0.408707612643389 1.34390844690568 1 2.21416627710454 0.399762666762559 5.16299579272897 0.889334388147722 0.631297421698011 3.81329785321299 1.27351756625553 0.494471214355065 0.549066848861879 3.28650796504729 0.685290733215865 0.859155309432198 0.436863964903449 0.76464453953756 0.243032831097846 0.287317055629473 1.37013197166385 0.682207199108202 0.820300981696573 20.3278704735877 0.869475709302744 0.643307921895789 0.298940990326873 1.25009888884893 0.439515984033946 1.32188320327951 28.0343683699522 1.42205760724945 3.14407206300119 13.8547322809163 4.00514222014456 0.734240713438096 0.354804200079111 2.20387284692006 0.596560466036175 1.52367938437197 1.22741738286166 0.514329893200043 1.87480671724981 0.535851702686181 5.38763529792513 17.4408914380237 3.65632529037362 3.11031500593333 0.473776475241828 5.22117839548348 0.633257218885972 8.72864899852566 0.268716962134561 1.36916106296523 22.5000269696861 0.742043942608508 0.345841274407566 1.94306699270021 9.44288719479305 0.370185911035996 0.464543852709555 3.15152468625265 0.449279010392319 4.35170268618073 1.61141177316696 0.922776798878061 9.53057463411126 0.717573447445072 2.57875148333273 2.4745046567658 0.374869646517315 0.433294976446474 2.89699377899241 1.49824697040527 0.955005573735122 0.537586752490201 8.56660613470459 13.2339260671006 1.42366679851847 2.11922399223273 1.45915890539034 1.01323312596641 5.13058721996476 1.05010967672336 1.12860944298608 0.711837894206911 5.65239670610234 2-acetamidophenol sulfate 1 1.79743580377689 0.248003798809219 1.24784307995763 1.04083719910874 0.328392446213975 2.95208386601892 0.229243525587172 0.888599919640574 0.326665287750298 1.99946813225778 0.479409823794187 0.702846805674569 0.626658393168454 2.73575037673965 1.14731094892428 0.688368183802986 0.370147117244006 0.898935279575294 0.286072616362484 0.8061670393024 0.861146404803882 1.32032555558839 0.882854488208623 8.69553854892034 0.526621293751867 0.525695449904297 1.00320105585596 10.9122451056677 1.25629787220072 0.600498379773267 2.08436341669211 2.75686092971795 0.438127694222012 1.71858286794906 1.33864544448713 0.900872328759927 0.383240256478445 2.17496478838558 0.219273967700526 2.63048652765876 0.816843791757363 4.05868274089177 1.49796938149035 0.402295567440501 0.481379704320933 3.14092853601762 0.163683939235752 0.68645083342362 1.84923191075128 0.565473904007722 0.735533689881709 0.996798944144038 1.78681296312712 2.76686135652539 0.313926727010673 0.198130583380118 0.579026682031735 2.87225653097473 3.36747136286184 0.78837245187746 0.317144198537692 1.542895790037 0.259157482098711 3.80099610291969 1.33159327220137 2.0504880379005 2.59011054312889 1.31327994957106 1.43604290399787 1.46951117414729 0.921490411606536 3.365297928014 2.40194098894569 0.916178300452744 0.786684920892881 0.476763617619925 0.707758374454589 2.21882089517937 6.38067284552525 0.809417342171531 4.79258142993627 0.943270723963925 1.20392531526296 1.83920521887014 0.709235784849649 1.31182880424969 0.247082114469757 1.07090584956022 0.238473736567877 0.155456404902376 0.528046173999547 1.70860213994688 0.758830810244692 0.928975957608171 8.35581951954614 1.4760249124224 1.30242590786869 1.54445199565313 0.553477331599838 1.75688391165743 5.34944695604212 5.97433902300492 0.384645437920857 1.86207553178566 0.760327919445019 2.55706908042694 p-cresol glucuronide* 2.2457340089383 2.40771145236574 17.9301241009648 0.429508915779353 16.5125690329158 0.128188927449922 1.04641009256171 0.404096709069298 0.0224978280862552 1.76408806710447 7.0490424977106 0.354965441931414 0.0153753869792221 0.760124773262649 7.66184853194296 23.2320798350455 1 48.395483463757 1.74295311081362 0.402696632440396 1.35615273302138 1.84386893716234 0.163449318857825 0.0494634997738338 0.151985008410251 16.5193181202552 0.996857170644212 0.152329642657365 0.10171866749257 9.05230869046166 0.136924230724796 0.418247753411761 0.312576431011695 2.07972866581728 0.609015988103095 0.970372587606676 1.20715087801566 0.165284387334961 2.42874442778872 3.720045440561 0.51252739614755 9.07715671578286 0.472882946519269 0.651496009668914 0.818119929518334 0.514041883153013 1.42356720305492 2.81025471350607 0.988124517610598 0.885363152560911 1.97688755960503 16.4144933728548 1.4291520598511 1.76487366083941 0.662520522935403 3.3309341558178 0.440455072103268 5.0164415565713 0.970948033160422 12.8611218391407 1.7375099453297 29.7955942412599 1.43836216412755 0.463022416192931 0.223859031906581 0.0711076940105461 0.03821743986832 18.3463134886937 4.48421154735346 0.178090580009843 10.2969953648961 0.796163140897279 1.63876360732357 0.738559672275724 0.192362462859363 0.38797051005185 0.0597677865936063 0.176810555825657 0.0879140366464199 10.6173697675069 2.17699205623299 0.047538229639076 3.24785338575621 8.30357698622442 0.0262163949020404 18.1203157273971 17.4117934799103 0.0732845087319548 0.0190242181051715 3.69832906559425 2.62020057877802 0.102686384553542 6.91340109745263 11.6863994306243 0.134772086070469 10.3291542616593 1.10996425334601 1.23210212581608 0.598013492918806 0.0263598099779998 0.419612874508238 1.01847019555032 0.543885905868533 1.25860178037023 0.92888278465661 0.246449584245051 1.27282605655553 1.55940448823729 0.439764775472095 6.01216945354095 0.216409779122931 0.791954116697026 0.135436794119625 10.0007652771273 0.567596404982752 14.8911467671802 0.938337468170482 4.55668138704397 2.17247894446504 0.464516075282799 0.735956182826253 3.64855094240367 1.2914599000141 0.0433780022696477 0.13069874086324 1.34418428063653 0.833889637040841 0.0311549912314475 35.0445330589603 5.16494697510231 0.510284527179537 0.0731815593205815 0.471846906489205 2.9940402407231 0.749092646734153 0.034106009329716 0.0264139625585488 1.06374294305588 0.911534916215246 0.360834116363779 39.1799871104957 0.407977210689838 0.406012840707506 0.47395112104768 1 0.227106996572915 0.0858371959198708 7.91599982623568 1.5347222180897 0.503967717920993 2.60214158578989 9.71736756569868 9.16872277865817 0.632040356169258 0.696712819344016 7.15106725214929 0.376750809462063 0.321017687661007 0.364930074736512 1.18870865138056 5.61629861756198 9.56935904172546 0.391358319294326 0.344203918385515 6.22087528422666 20.7644868566926 0.0879848515594455 9.16428762280288 7.21234893066506 1.44348880678062 0.338814248912634 0.0745062147524721 17.0118475134742 22.2106279497536 1.64365459698876 0.687363465574729 0.131690744728901 1.31304654682086 0.158924136995317 1.38058017051517 3.05148482210282 7.28418381647155 0.0755833155304245 1.34553630990034 5.16821398243433 1.0051325934861 5.55108700891494 16.6421246378174 0.326410332550402 3.40716075639848 0.486037858009554 4.30392332470661 5.45563862257258 1.6142140407525 8.25926470316947 0.0988903481653879 0.583738634652772 0.614959680130823 0.677566014078481 2.16769268946113 0.0786170502077733 1.59797897808725 0.973389659951548 0.124688399505605 5.69370645849859 2.33431125356083 0.0431560361977271 1.18211334313634 7.22467846161445 0.3169925442013 0.381541825132391 23.7144843870969 3.3821095346032 30.504907354456 0.0330521168005703 0.831800894648237 0.921584087948552 8.26485848621519 0.273486003938261 0.298227187332819 0.0336620771858749 0.221156163545554 7.71691946797172 0.190809295439222 2.37836110487927 0.243486664480727 22.7519323842548 2.81686846933268 0.126827723978941 5.03407208958146 1.06774249793357 3.81801876535687 0.117320673134429 0.603532890551684 1.18569752986872 11.6812650518883 11.9472655029614 0.0536985319890005 5.93126430803416 4.90648325405832 0.628648976426965 1.46120800720289 acesulfame 16.2250901025783 0.0755851716899679 1.03179729890293 13.1548496970177 0.0856172521684027 0.0802962493564102 0.906515109509287 20.7279912075726 0.302544655233871 1.61081428967484 0.188825300011882 0.21175492098697 0.968202701097073 2.69457800308923 2.20425363380728 0.253142698720741 175.57336726207 2.59077587231178 0.322083803881879 0.757992161214816 0.519317564584009 1.24707217856487 1.20444927258731 21.2862348431266 0.149568007127589 0.763755973849875 1.02319592664523 1.21367528047298 0.0667273658008574 0.236724669508845 138.638003258996 0.0804550090462551 44.6758588080826 7.76436361647005 0.627517027670208 0.135226859757646 0.0558093369857018 33.0275861934218 0.269971122321781 2.2974908853607 6.76090923655859 19.9211842583439 0.186177009616775 0.376591886896412 3.46744520470327 0.562479728964038 0.114860085890577 12.4803913140321 4.58218219900198 0.0494808660958864 0.80837960665398 0.181409652725404 3.41406057669388 0.893627372443896 16.832542681521 24.2899471292305 0.0447858010918029 5.11208564048658 0.438002868229474 0.213761249203812 1.32124560875631 0.305823990746638 0.315708440957067 0.794450718425053 7.15001348146006 0.575431699797192 0.234055731183594 0.141740944952659 2.08270778056091 1.32715986667031 0.146267980164669 5.38289105026435 0.170194641021934 2.99703994029081 54.67175966269 2.92186419285131 0.501457560754493 0.0460518860367243 0.20021726642882 3.79601769392787 34.0052577694241 1.85534979504273 0.593557425158358 4.65705510204879 39.4048404303126 1.4607591820466 12.4803795910233 2.95556784300547 0.506340193898565 23.9307541411528 7.35531267218169 0.130891300355207 0.148948641498669 2.11405705979125 7.81988183207181 45.786428272771 0.530407530860821 0.0911151316689266 2.51070310698809 4.89041136037701 0.361770096167749 0.196995392857562 0.412679215496255 0.606790748201495 51.2697327544772 0.189097992630135 0.191516840102068 0.74560680247121 0.534832966663671 1.51494097465095 4.54364476157354 112.064328056677 0.143253213081315 2.57212971899948 140.365916133595 8.31492886087524 0.437242826495563 0.240925414310668 46.5870960935027 3.4553529211784 0.203124572598639 0.436045125768345 1 1.80836397597565 6.29414787403236 0.0977601237949724 1.02054652666789 0.129939782811725 3.96916457931983 N-acetyl sulfapyridine 1.81466420192052 4.04163429397824 0.185335798079481 0.000236361404546841 valsartan 0.161202034621017 39.133021279421 0.721320364284213 107.884410952133 0.406116404224162 20.3241967193765 8.11861737247655 1 0.325273784889361 olmesartan 1.7189624606897 0.281037539310305 4.49317056790979 0.277863830186704 6-hydroxyindole sulfate 2.62189038339873 0.827619475013964 4.29569199648125 0.545954462051939 6.74693790167525 11.3789728367004 0.236659544071572 0.836863752578338 2.74521146147692 0.528891798311163 1.05586914187139 1.70560626459 0.376746854187166 1.14834348200207 3.7009415823689 5.48414021768517 0.479578463138855 0.749419144821983 2.56110267104178 0.860192653159811 0.739196368162686 0.94413085812861 0.0658531263251938 1.7431940790512 0.144340281637566 9.96382709797479 2.62214976113918 0.232895135912564 0.143907985403483 1.14037001812899 5.272726773684 0.209936774960304 0.195811397749018 1.67640220621627 2.16635636628986 1.45604193001228 1.00817433404019 0.847813514433172 1.1158703440388 0.176568461664858 0.73723876223142 1.36472434587861 0.142649762519941 2.41406275269858 0.618106706240208 0.547060642483507 1.10911144549086 0.516113840345604 1.74761905378008 2.59766957732302 0.602882364889954 1.15662298310146 0.563301923776082 2.24662087418021 4.96521314983562 3.67934822688888 0.867101734102551 1.97604368960302 0.436058930763986 1.57797768683684 0.795543318924528 2.35987123935998 1.21329086164312 26.6958689725931 1.32350852043001 0.423032784021881 0.161935394555878 0.557073490083542 0.0280641784846042 5.72597608767937 0.620664581896658 0.508385873073992 0.0451554973625546 0.778490814548193 4.65017783510823 0.177650092443205 2.03804856211679 2.42427614189029 0.311830530710681 0.660274780795102 0.0884000274289145 0.270269256197706 2.25557020443598 1.30098575895936 9.39228134820878 0.627140134582815 2.18879632349041 1.78066830808881 0.412265641273789 17.9646775097133 1.62610896265657 0.702567061755166 1 2.67849430785334 2.57218397556239 0.516573145281386 1.65198917851695 6.43643284379621 0.074888699416618 0.615061061680125 2.07559900479618 1.43874489427577 0.792466622763153 1.53384301086677 0.565105504284474 0.35431300272866 0.955972710817731 1.73982510185572 0.791330651682544 0.26248177335695 0.819132185372884 0.624046618804074 2.03756596848004 0.940207554078304 0.614110106390549 7.86927534619301 0.491099187871245 0.54661168808149 1.44011245854935 0.348792286782239 0.452217407786448 6.13800237285987 0.54653535289498 5.49466753438641 1.30014219045758 1.01806685668522 0.339356481439552 0.945611826519879 0.215139725736732 1.32962697970131 3.02943303657491 0.411488057424761 0.876892045226657 3.36997724176389 0.580021917255245 0.629681190621899 0.147762926199401 6.78260644553614 1.92725386107255 0.42128224999903 1.30867103027919 4.19750112238601 0.761633676496655 0.161906930588027 2.13814728033256 0.43753905709225 0.850536998629848 0.452236815037255 21.4197633091691 0.478661727736972 0.917338049726552 0.530909928361368 1.1727361765387 0.426005974845615 0.175982362690466 9.32374787652331 2.807160499258 0.61960623981928 1.05201790124815 5.43736439183498 5.12867654193842 0.504953377314476 0.282397494135776 1.03971758568625 0.165977277990754 0.299034683344827 0.547672617792309 0.968448985453619 0.143066371503946 0.902989622296085 1.27599957045285 0.137403335718269 0.38183507200737 2.88000755588965 17.4003107747763 4.52012855362935 0.303539753165646 4.87567585750938 4.53979456778112 21.2239868444716 0.34995930946414 22.7886175180196 6.36812190858667 0.155809172384258 1.93449923470741 4.49333102171413 0.0974981466075479 0.776912358149169 0.214159012662584 0.0320323143664115 0.132819343077498 4.70248943275194 2.96629348679725 6.18160658397453 1.26926396060587 2.29763736128668 3.37184292547486 3.87780806746478 1.44477278637663 1.18272056017089 0.989234151068628 0.773776146418651 1.45503922205388 6.03378802365615 0.291874701613519 8.8489818309318 0.441914745241019 0.42437188432761 0.41120600537969 0.417708728216978 3.6297756392425 0.279401014611072 14.6888241405499 0.566053871940609 2.78662245263661 1.02690880015319 0.0748097765966669 4.91738462712849 0.318672233528743 0.104663303605738 1.88132077986097 7.04914562812861 3.76055592716847 1.83198496067444 9.05955438364512 0.817263914028467 6.92511000676666 26.08137719027 0.699825464124403 0.758928305734066 0.138457796345485 0.541264343575618 0.174648437651619 2.94630531228207 0.239868444715858 1.60856739555988 0.104447236213413 1.88141781611501 1.10723541124611 0.316886766454438 0.0714717294577485 4.66919564708303 1.01417117453976 2.28648595497259 0.564340858602652 2.26663104357963 9.58810956557516 1.99592835878055 2.83844628137667 2.15818720751656 0.469605010693395 0.247481262299345 3.08843884193053 4-methoxyphenol sulfate 3.03674757984051 1.3660073271233 3.32929173680242 0.441313702939228 0.2093691209737 1.08920201381643 1.96688932387865 0.104160922516814 0.489682618266016 5.02300731950675 1.81238679899157 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2.3588286788831 2.17122757714742 0.21379020049027 0.786968284938371 1.05261916405959 0.161322530169114 0.2610359121499 1.61796431051539 32.3378279864855 daidzein sulfate (2) 0.0574120542837035 3.37921054806411 1.00430694369653 1.12193514528171 2.3181374337206 0.335335204132392 2.13998830355794 0.0229001807105562 0.615304441752824 0.123081628216324 0.0755167990280688 1.1590942468981 0.995693056303472 0.542537517311734 0.0831400156759696 1.75758518478747 1.3953097372617 0.884945331503593 1.6618880752615 2.12516140511011 0.127553476225294 3.58294956587781 3.00064955938222 47.2898833624525 3.91948628180551 1.18857208526883 0.0863314385075457 6.4420301562107 4.25358298620769 4.74384709039035 1.50747076566396 7.28390908167293 0.131923844991814 1.30881385460196 0.116434352031206 0.162548071558126 2.5391875844219 0.878817202331085 0.126594126983863 0.221065044211676 0.0760384206046898 2.03043602089916 0.687140556322628 1.20308890469298 21.3285587942845 6.87105580048201 0.997699893572194 32.87596413766 2.48002271792301 0.303813912895752 2.95453084324467 21.6827835118511 1.64910802172526 1.3483720209791 4.73309438430931 0.120341701545785 0.0596911761521768 0.363158657377412 0.117488636874653 0.0865895967235559 0.607731089077909 0.2409548856026 0.135829528969516 0.386367913765163 6.7048818551416 0.956611098804644 0.0588001139227224 0.823766211919581 0.719000611252034 2.50877821211278 1.72634229780799 0.108664622497739 3.05208300369583 4.24044523131809 0.128835939620957 0.39135619671323 0.541489356386585 0.166953416599074 1 0.0460687500312288 0.111419420493099 2.63178144158879 0.820591698631095 1.0395981392622 0.730327927555808 1.82564660305426 0.705598035998914 1.56214867581491 0.930092420641332 0.742912724202083 1.64577195135966 0.197237873642379 7.34816049779566 0.0532338896781683 0.456735181302017 2.18021109014385 0.561062745770786 0.37437771378415 8.47230628556962 0.0823191601696849 3.86957846927168 2.8536426124279 0.0813548143176212 0.114459025294509 0.0677956785980177 0.0860349729433534 2.10708569353788 10.0124515536961 0.949744090258774 3.68141943714847 1.54382443908882 0.181070507172635 11.5154819980447 2.55319974617218 0.0887298116111238 1.87755639091483 9.20039240048833 0.680906451790202 2.32691324384959 4.13135256584284 1.87543949354355 4.55845618055752 4.38655112282169 0.338850146650522 6.88860889363382 13.7855221541388 2.94290872691358 2.51970579956596 0.785342276156008 0.129973501308279 0.0872175041263676 15.4386807615501 0.0636967923425276 3-hydroxyhexanoate 2.54963132080162 3.09738531369521 1.49986784411606 0.850183803832092 0.733846622024171 2.63829148873246 1.02488673883569 5.7784467326065 0.432942675778041 0.546733892340817 3.45810944221645 0.645292178800482 0.4819332191316 0.317568446032537 9.9856471566483 0.793163897584191 10.4387803940674 6.11740300115297 2.10944221644705 0.522088605876865 0.678049693469785 2.23925215485526 0.975113261164315 0.416061011728299 2.17989773277652 1.83970134198943 10.5630526437606 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6.6712119376019 0.994140538932711 2.12362843167497 0.236344908121447 0.204873198783766 1.68327926012427 1.55522077292557 1.3018620830212 0.527290904684264 0.589246959414798 2.94275079319614 5.44778951659102 0.295699665094963 3.35547029921121 4.94495273873001 0.434274886528886 0.25114710483409 0.279928006433702 2.56861146609087 2.70185326973075 1.23345029304191 1.16838479927731 1.24516921517649 16.0998628431675 0.518721356806064 0.309484202176883 1.72631841316706 0.370459778345745 1.2399776362755 4.72529799938307 0.550209591063323 0.353739313885339 0.811704049706958 0.255077281540563 1.21016392720222 3beta-hydroxy-5-cholestenoate 1.28646603348972 3.44735054862621 0.259138319919645 0.511530075904947 1.52814331667747 0.773225718681263 0.14431694447623 1.07209174708522 0.569708916606273 1.04320260390841 1.27756921081741 0.606595110043102 0.956797396091595 1.45113313244587 15.0887604226265 0.306574411005582 0.616287752221841 0.388107258648968 2.71134098740003 2.51332229723716 6.02043457807275 0.311908761490636 0.223831966535708 0.724829232940459 1.24732176323251 0.121157823803893 0.275843612922913 0.345060177238687 1.18054127728827 2.16841204816213 1.06114190537946 1.25346678363912 0.909768775985048 0.772371311235712 1.48356806652172 5.82084418507076 3.62760519832044 1.3573494423617 0.343494115399705 6.46445322505908 0.393972801300294 1.78792801505772 0.414837199429328 1.14650162005649 2.76510478257531 1.22444299294008 2.40928371510201 1.0698819248991 0.329075464663753 1.26347236256946 1.63201984571372 0.33109263393654 1.1242406665435 1.2971920355944 0.403073048727419 0.947926071721303 1.32174842465244 2.03623521405694 1.21576763268713 0.868212013824157 0.507417676803999 1.71055501583663 0.344755542731547 0.227491210146584 1.17940007672348 1.39611865566395 0.687132413824087 1.0977977087785 4.66606149266695 1.28552679305435 0.452753852237823 1.83656749672323 1.17655716360646 1.59870381550424 2.12970865103372 3.55345124184595 0.66844329871954 0.395697773573794 0.892389487107199 0.298558465781172 0.469336989684819 2.2756591367024 0.774682157402936 0.850899951085735 0.879382019018577 0.62487703956727 0.589483937958811 0.9607116929821 0.824775310433192 1.5183015796922 1.8397130548848 4.30340322437125 0.998264405547146 1.08934628496242 0.283072024818983 0.710784002162049 0.440163261155334 0.520248921195793 0.519022320681505 1.67063094526426 1.56560789078171 5.7515430456853 1.36979480561499 2.63751151243988 3.83675939248796 0.31904603774426 0.598404130739177 3.43726549580067 1.08915926495215 0.586422660695725 0.812839463520737 0.462945223858947 1.24458926209113 0.225951516542477 2.25592591360755 0.952198277430777 0.636558650711573 1.28841184662061 0.352213705710954 0.835167632791608 0.49364053604741 1.24570163064384 0.849365133236085 1.76003138592798 0.466257254208429 0.966985047628285 1.00173559445285 2.51407517124782 1.99522698465409 0.189953473113087 1.53471754841494 1.39989457922326 2.39025190411272 1.66176438578293 2.00027791800409 2.70395341843498 3.62015504550907 1.06845193577029 0.176442060974444 0.329115167235766 0.860070896952497 0.933866833742519 0.265630058051081 0.251235786087418 0.572675122734058 1.43324543625029 0.832574776224637 0.966459859219555 0.57221715008321 0.514180348236832 0.820534100591342 0.79378640817274 2.07543244894693 1.97343793451897 0.882950374745264 1.87590682502885 0.620579410280981 2.72509852071351 0.859858105097236 2.23756556366072 1.23424082152283 2.74577032654147 0.475115106985372 0.582391804831907 0.410635343891315 2.9382086930871 0.165724804408239 2.29395122608682 0.588134050510378 0.609650058395866 1.79608201785188 0.42172907835529 0.188549255829269 1.3038881878057 0.177421739352266 0.555065987241892 0.720149281670768 0.252860108858184 1.00835652073824 0.70594795027636 1.56252118994181 0.598490849514889 0.793028924890918 0.955294729779593 1.06281800149442 1.20934382618911 1.32373076710767 0.135431741962536 2.27672727519681 1.31378074533221 0.940588061262462 0.789954413437161 1.73310607673985 0.38228422479248 1.89244294627215 1.3551644078283 1.01655719146792 1.5851025501763 2.20866034989459 0.716717098800721 0.504831089064188 1.14435698463145 1.37329524904744 2.41290048010509 0.772149551230336 1.20644971765028 1.35227691638482 1.70513665956142 0.663961783836561 0.485654050245695 1.07306022026917 0.316578209452312 0.712531263598784 0.980646563350591 1.02431033759202 3.00224998654814 0.219433329368881 7.98491093302611 0.356455612089155 0.701768732169758 1.01457693862174 0.575442113388804 0.984478209817993 1.05933427493439 0.380723983366015 1.03228602708029 0.310162761390502 0.228904482402967 1.09183744722214 4.13932189748343 3.60984317309921 0.217356954506251 0.788157349651323 1.0341147832701 2.86150924451752 2.5261259466582 1.21082187632614 1.16793857106612 2.53912993206507 0.849557029000813 0.683159370477411 0.432241553234271 1.04317672119792 0.485354887882897 2.3847012059308 2.25664230124466 0.663239823908645 3.84391107947288 0.338705079717715 1.12053021740119 0.606038169147236 0.452449465852392 0.504357096077264 0.588670731768901 0.399407526179754 2.99103052727279 0.525136168503288 0.941809437754116 0.0455614875299968 0.886343899847824 0.801909066831096 1.92854999764048 1.89129331302466 3.51778858066962 0.470691752887709 5.1706153602634 2.07893881293837 0.47648484571981 0.425123996530552 0.76941146683416 3.82969755869233 0.800882023981398 1.4175155558334 0.477267752578447 1.11097199732321 1.15656169457543 0.766454321755564 1.43456815878103 2.11650232181686 0.529028065365061 2.06104932156489 2.66304096278041 1.14391398751215 1.19405171886887 0.759661002723283 1.48724964089198 2.95450102660751 0.849749621301893 1.54368893661711 0.302633899971459 1,2,3-benzenetriol sulfate (2) 0.386052459259442 0.677480571788631 3.73100853729352 5.54710955163765 0.291850652960872 0.0779092897120053 0.0555146468328 0.0497806990449598 1.35845389737951 2.99173822261209 1.95360827289687 1.89168386068521 1.63575161541408 1 0.79781934543298 15.4679968865442 0.292843993624829 2.83529942302228 0.287601774175614 1.23804964232323 0.370385104832034 1.08169609211876 0.935004138919433 0.586657853445187 0.761081802344976 4.07510965047752 0.496898899170981 1.28795265570368 6.0618737567798 0.101756878636998 2.82096022930849 1.06834319451466 5.78562918062856 3.12417467120222 2.0615144640539 1 3.17609131394631 1.28566093625756 0.866415500811674 4.30219164649126 2.1959246095963 0.114467610528642 0.365428535862267 1.15014061392522 0.843642904141188 2.709385185618 4.54612568623914 3.99438814524263 0.972961987241858 0.961047275240009 1.07134600679316 4.40670577266526 1.05036442759844 0.278928742908968 1.5648996141056 0.473357027266653 3.45947092581631 1.32122724074069 0.348511677179897 1.27984838592489 0.392151532780701 7.38258927777538 3.26098808274755 0.230708455380801 21.2440813858665 2.82446758512414 0.269582426180865 0.78394740251657 1.93589935752011 0.614237699774662 4.70685743754938 1.10974999428399 1.18732518526234 71.0651447675615 1.53746275064718 0.459305796545496 0.904362207244856 1.7274858941496 1.04877410569798 0.577073452040109 0.203886380899878 9.42720466629915 2.78431322736268 1.0263800361252 4.36387886116693 15.0969867718752 0.439408989637503 0.116787041671007 0.355378514395462 0.391653604517937 0.457728176896637 0.0753472160475166 7.57209670986279 3.8042506814758 0.114200863245019 1.42871115333904 0.546445782979491 0.269915225172814 0.26918611593091 1.34256956388089 1.21905032886129 0.734911630435611 7.32515223648544 1.96778200903892 17.6325238611796 2.08158656203399 8.52898780837891 0.194786487852837 0.76101729792623 4.16400893222333 0.748533525052651 1.84854597325922 0.0548127561091479 1.81681320830931 5.08247063874542 0.882974155998893 0.562633532419957 0.672617248133404 3.24102776458155 3.78616267519581 0.163663430979776 0.0878259080204557 0.889337984051053 0.110059929223054 0.259212307973711 2.18622008937304 0.441959601759008 0.503092998264872 1.98704116291654 1.23600021339783 0.870307470702257 1.08169834184808 0.492311327105843 10.4549108174915 0.57232280994129 0.677512695900475 0.314045387685421 0.149939918349927 0.489656556521209 1.18138561241366 2.54532036348763 0.178451392293798 2.15794487730895 0.926182135045258 6.69838503573143 0.597442782707663 0.3462760808981 3.65025366396447 58.1337242239559 0.5038627547119 0.296747461455018 0.367011236411766 0.359433073106539 0.153537196003363 28.2443151072959 3.59035746676456 0.648795445480666 0.400578206492883 1.85968076701276 2.1947941092038 3.40475470681933 0.608346395482063 0.122188039051802 0.35467480965676 0.443986881114546 1.62542838343525 1.3158897546179 0.954480211162231 0.897660499300106 1.45904667061283 2.74819056425942 0.644159123646258 0.123376969801667 2.38583597328463 0.164247734553427 0.192380681399585 1.31687798979247 0.097604101302997 0.192578836524562 7.53320749636081 0.350922564533789 2.5120785710475 25.6968455228374 2.31954800307903 0.46672899238119 1.24302201808293 29.2169925641019 13.9665727546865 0.683840957648153 0.107120628202555 0.314558558650106 0.562262626673204 0.0765056613935386 0.359864949660977 6.67078558345252 2.19853365207517 1.12767795219381 2.74011701314175 2.1760023981851 0.151504835747185 0.496210918347386 0.27826822582571 0.575544100947334 0.615528248537336 6.62202672045647 0.342102121021972 2.10138683182981 0.86194176779776 1.03918136528881 23.6216608956104 0.568992279571477 0.152172974181403 11.3998643399529 9.32706519557657 0.476585939623658 0.406751500771027 2.45426046220953 0.242889914666274 0.410961026951637 0.223153156128455 2.29195109125044 0.947478730079694 0.779781063991403 4.02248298533398 7.64212422293976 3.32322403469239 1.3442157756884 1.61931097906415 1.96874483971029 0.392812049863959 6.38083636705442 2.66968556846387 0.45356437882179 3.16233731591262 2.42510371388432 0.791413786007708 0.112846803224339 0.1412312546522 0.164458591930006 0.516826672696002 3-methoxycatechol sulfate (1) 1.94615637402361 0.833503663605537 3.83838245225035 2.5189102714571 0.160129715831326 0.342056891514664 0.833196707991319 3.67469927377913 2.8514334827184 1.86244054992001 1.35850610119424 0.785911098431637 0.589777294673778 26.3953010512327 1.10038893081943 3.36324044013824 0.698919877362204 0.54676378501551 0.203721024292828 1.14642866170963 1.46537721233745 1 0.316218451282533 8.98392635954253 0.163928742962591 0.759798203767971 4.27121153575311 0.477055970647821 0.966588784202981 0.482322310339668 2.90546461170133 1.05421816549454 3.97160855903038 0.512997156965435 0.775175819242855 0.587005835702529 2.05076462666467 1.36669160556636 0.586631752207093 0.205392787670208 0.991452940296274 0.474667065689062 1.15737243752806 1.91461319766572 0.627020799042346 0.370947179410444 1.22871464910968 0.36786473140805 1.56991171629508 0.169034864581775 0.79988029328146 0.645760885829717 0.973694448600928 1.80805326948975 0.546401316773904 1.13347598383959 0.293350291785126 0.121780637438276 21.1197366452192 6.53232081400569 0.232862486907078 9.48330689809966 0.393263504414185 0.147110579081251 4.47079455334431 2.53340415980847 0.420930719736645 0.910190034415682 0.371907825826725 0.44077210833458 131.393966781386 0.559937153972767 0.140751159658836 3.40166691605566 1.08552147239264 2.3364177764477 0.178063743827622 5.60425557384408 0.839401466407302 1.770737692653 0.58614095466108 21.5262456980398 0.184530899296723 0.654780787071674 0.531396079604968 2.09625018704175 0.450603022594643 0.0853060002992668 5.83287146491097 0.919934161304803 0.239844381265899 2.19706419272782 0.184147837797396 0.261529253329343 0.452922340266347 0.628762531797097 0.584153823133323 0.459658835852162 1.84641328744576 4.26666167888673 6.73531048930121 0.712488403411641 4.37434685021697 0.161116265150382 0.2216639233877 1.71385306000299 1.1116474637139 2.41458327098608 0.976316025736945 2.79774053568757 0.161319766571899 0.162822085889571 1.79240760137663 14.3979709711208 2.48742181654945 7.81833308394434 0.655642675445159 0.355702528804429 0.370204997755499 0.595178811910818 0.244898997456232 0.332003591201556 1.00736495585815 0.776893610653898 0.274927427801885 0.702471943737842 8.50600628460272 0.250202005087536 3.80834056561425 0.476121502319318 0.637988927128535 0.156211282358222 0.624839144096962 0.200035912015562 2.44292982193626 1.13061200059853 4.28914260062846 0.452889420918749 2.67396678138561 0.118961544216669 3.10051174622176 76.5749812958252 0.24620080802035 4.60941194074517 1.62144845129433 0.208146042196618 1.7234266048182 39.5338470746671 5.00655693550801 0.941666916055664 0.799619931168637 1.12707765973365 0.101897351488852 2.01115666616789 0.334233128834356 0.229178512644022 0.332012569205447 3.43112374682029 6.99367349992518 0.437887176417777 2.25367050725722 1.46356426754452 1.08307047733054 5.66568307646267 1.79216818793955 15.8514469549604 0.124123896453689 0.426910070327697 0.565665120454885 0.34006883136316 3.69510399521173 9.70918449797995 0.963393685470597 4.3952296872662 37.5974891515786 2.02585365853659 0.282857997905132 1.11678886727518 14.5877480173575 4.94404309441867 1.87357174921443 0.122849019901242 0.233981744725423 0.1838934610205 2.06694897501122 0.108750561125243 0.500529702229538 1 3.64364207691157 0.162130779590004 1.54739188986982 1.05707017806374 0.104650606015263 0.86951069878797 3.57387400867874 5.0400658386952 6.76341463414634 2.08272332784678 1.98920245398773 5.07925183300913 1.97197665718989 78.3243034565315 0.309337124046087 13.3100194523418 3.24278617387401 1.26743977255724 0.124940894807721 1.68165195271585 1.00403112374682 0.424701481370642 0.434400718240311 2.25119856351938 0.394400718240311 0.346206793356277 1.95487056711058 7.30739188986982 1.75743229088733 1.74984587759988 2.65832111327248 0.700942690408499 1.03652551249439 3.07219212928326 2.4183689959599 0.60371390094269 2.5657459224899 1.32681430495287 1.14967529552596 0.206296573395182 0.552437528056262 0.812479425407751 3-methoxycatechol sulfate (2) 2.72498372232249 0.34322957861572 2.43582225213139 0.331474692035081 3.1246105374474 3.34804951909841 0.877910863874918 3.73094419269274 0.741728973392006 0.391887817305465 1.01672777168427 0.131803304477782 1.17849074248059 1.9391979584078 3.48361089140495 0.558046853492163 1.60797671745885 1 0.218605931629385 0.663814613640038 4.83340397918205 1.02971058507872 0.606630804794595 3.80407794057883 16.5306260678812 0.390104920009963 0.225903574971268 0.169991391402764 0.155946705354373 1.76860352821391 0.197792353642922 15.3841717493522 1.00649064306913 0.309415396201735 2.67254457981757 0.230239460137047 0.397544455950334 0.890654960387259 0.173181257401067 0.146416025447285 4.02599725510209 0.604898205906981 2.0253878283101 0.377468054640314 0.487397747598214 0.823370278800371 0.608262439986325 0.73800593571786 4.72112530904875 0.190859589058064 4.29641429130601 1.92845924024793 6.28092097765931 2.16149809987663 4.40646289680869 0.262643128589053 6.71776107496941 1.93734299828072 2.1726560603283 0.738228896739319 3.72288422377359 0.107665399917752 1.54157727581269 3.47239990288809 3.62200674828692 0.924138751120998 1.42206521362143 0.25674704824381 0.49208983842758 1.04590519697368 1.03827002066105 1.38786794761902 0.375149260017143 1.62265085790446 0.462193242794643 1.22977371933667 0.334060021106977 4.45546477463595 4.49279340431752 2.18404689118016 2.21456777767318 0.232028102998083 0.196324611428487 0.814640116137919 0.70128177813892 0.306947960897592 2.06105663705414 0.612563110355796 6.60969929990239 0.367068161661605 0.816374257415931 0.793993925550838 0.846890189219587 0.216737931615377 0.131774918371493 0.331216029411036 2.87439366988887 0.739437840944562 0.408766827363758 0.291102864305922 0.341506919223699 0.6812053768289 2.26907927007516 0.104013793855194 0.325721278904419 2.42012793007942 1.23216683430032 4.2840027944448 5.70400190260072 1.03060511621224 1.82759167413999 4.09033885120572 0.462123877143523 1.08276313116549 0.460592878129506 1.75630360354558 0.418824846776231 1.48523254834538 1.18593462782851 0.521277913481214 0.599076445902224 0.361474317367673 0.439446263916484 6.17799721546458 0.186871064118635 0.680571176590084 2.98945642102968 2.08571117133811 0.471195913372211 1.1704859063861 1.39661792903894 0.93858167062216 0.686546531965179 0.92735434451937 2.66908125195091 4.03798264867784 0.208290186246773 3.69223451535706 0.148278988648807 0.894356113343474 0.268385613563958 1.61138389428675 4.00936931759063 4.05826219225186 1.95262821497406 2.53194535968567 0.469580684638977 3.19971361895466 0.246317427128906 5.54517933498159 0.518042501325379 0.327197776335413 0.989317689727443 1.78348007471672 0.965336993197212 0.190195660683054 107.745591565137 0.993509356930867 0.266943798958524 4.52796178943561 0.514529626565063 1.14427064495192 12.6189397955695 3.55431578217204 0.251064019541295 1.34398921859594 0.789504976985468 1.57319314865555 6.35524627283493 0.849065297851151 0.909839517611443 1.97386401359567 0.189883515253011 0.465948897333882 2.93867580972011 0.272057038383979 0.379975127459384 0.121825902125066 0.285251376164971 2.41255716472856 3.15220805731585 2.3050800430067 0.633546219819748 3.66299689340977 3.08482428194164 2.49472077848079 6.32807971104252 0.660717736301523 0.269594557769201 2.79381555673367 1.69492491168266 0.158971208300096 0.219482829524003 0.211669284394215 2.80794633080479 3.17113497069301 0.554806296419246 0.697758993999871 1.91216326692398 1.87650932224804 13.1262900772436 0.24489047659157 0.239579049591486 2.83514757542276 7.94023158218096 3.0695539293164 1.1980736167746 5.60771246946673 0.327564423348478 6.28180291236641 1.02730529309465 1.99410391965476 2.935653449207 0.620193331979052 0.271145375540681 2.74597803090735 0.836420930589757 1.9981915383815 4.05524478642811 0.724905737034817 0.207987950195463 5.40789480203539 0.207472662501424 0.525206982148254 0.298876771920784 0.43661713628864 3.4489047659157 659.423412889129 1.12301007288348 1.27011975484197 4.01366007858137 0.743456094020185 0.350608683588582 14.7601880800083 0.285092826105267 3.71683950274738 2.51454944532253 0.232335293738759 0.432673203553503 0.313067002264293 4.21846711820402 N-acetylkynurenine (2) 1.56526649639643 0.571176300116192 2.62998724327428 0.14251239785817 0.41715034789839 1.00623210740567 3.45307772935699 0.19358805255446 0.560914042419499 1.90525084164597 0.192932611445302 0.375822348375075 2.21421278001826 0.127339748711462 3.19979307561678 4.20446783327962 0.61211699352955 1.9348540289315 5.18589068217336 0.0936034906301714 0.939786087856193 2.67900719631003 1.60570342102341 3.87383300335575 0.956684009674527 1.37118821722727 1.28663631414588 1 0.230793815019352 0.225783211498929 0.114520729002186 2.54936527841351 0.177795171944954 5.48835356782955 1.02318249436153 0.371658908776813 6.89992801957868 0.183003023177696 0.170718364604828 0.896813666682662 0.813292384471424 0.360818657325208 1.0782331205912 0.512433418110274 13.0352368155862 0.462181486635635 8.57075195546811 2.06865972455492 0.847305532895053 0.0871155045827535 2.43389797974951 0.645189308508086 0.680718844474303 1.66523825519459 6.86246940832094 1.39557560343587 9.9891597485484 0.582839867556025 1.77658716829023 3.26805508901579 0.24232928643409 2.6399059455828 0.334924900427084 4.0958491290369 0.26034358654446 2.14128317097749 0.614971927635683 0.116329958251356 0.704016507509957 1.28975478669802 3.42874898027737 2.75240654541965 1.80058544076011 2.73187293056289 0.466687461010605 0.233283746820865 0.861898363645089 0.124934017947118 1.57089111761601 0.23700273525601 0.348433226162484 0.372167570420845 0.689462066317962 0.625749796055473 0.327400547051202 3.46121215029512 2.02291856615001 0.356826143289025 0.416569892989107 0.209779739910744 0.235299198617976 0.487307452372955 3.29204856279092 1.40035030471712 44.2746676903882 1.28742262104708 2.97786841978982 1.16851096501752 0.964067373674361 3.71287009933298 0.84777100628629 0.978866548298863 0.53066365948462 4.51988099237008 0.095671577330966 0.304702720859926 0.37199001871491 3.04269398723547 0.333494889390086 0.353111953548635 0.142564422477086 0.822942559623782 7.89908824799655 0.203195930706848 0.264124958011421 0.085944623062527 0.354551561975143 0.359844522289937 10.022155573684 0.167983108594462 19.4121502951197 6.07609290273046 1.76079946254619 0.138192811555257 1.25786746005087 0.190671337396228 2.14221891645472 0.635495945102932 0.410019674648496 4.28113153222324 0.333499688084841 1.25472911368108 1.01336436489275 0.24500215941264 0.366274773261673 0.135471951629157 1.01265415806901 41.2111761600845 0.211454484380249 0.47478765775709 1.38676999856039 0.454421997216757 1.96969144392725 1.19868995633188 13.7200441479918 2.33603819761025 1.61738087240271 0.624588511924757 2.53042372474687 0.181203512644561 0.28376121694899 1.14501655549691 0.237717740774509 6.05317913527521 7.04562598973079 0.459057536350113 1.52205000239935 0.402130620471232 16.3415998848313 0.15768031095542 2.95594798214886 0.829243245837132 7.64944575075579 0.275243533758818 0.194265559767743 2.10670857526753 1.8881664187341 0.168741302365756 0.895321272613849 2.37814194539085 0.641628676999856 4.00721243821681 3.52845146120255 4.2148423628773 0.136623638370363 1.0206247900571 16.1643600940544 17.3392053361486 6.73328854551562 2.13956043956044 4.39221651710735 1.22253946926436 0.513661883967561 0.248150103171937 24.9176591966985 0.471769278756178 0.215120687173089 0.980929987043524 0.424919621862853 0.289082969432314 20.1235232016891 1.82850904553961 0.547267143337012 1.61309563798647 0.134857718700514 0.303886942751572 1.25749316185997 0.670612793320217 0.101046115456596 0.780310955420126 17.0795815538174 14.4264408081002 1.03094198378041 13.0298382839868 0.54954652334565 0.987345841930995 0.507797878976918 5.25331349872835 1.37223475214742 3.58774893229042 1.51529823887903 2.01228465857287 1.92888334373051 0.338600700609434 0.204371610921829 0.292586016603484 18.8697106387063 0.860708287345842 2.77167330486108 0.201761120975095 1.06657709103124 7.69514851960267 2.43124430154998 14.9101588367964 0.346153846153846 3.89962570180911 0.240976054513172 0.954983444503095 2.86618359806133 1.81181918518163 39.8998080522098 0.147468688516724 4.94661931954508 2.01538941407937 1.97827151014924 0.357521954028504 0.31348913095638 7.37379912663756 0.919065214261721 0.890930466913 7.35980133403714 1.3743701713134 5.31972263544316 0.215461394500696 2.31602764048179 1.85720044147992 0.282935841451125 5.93060607514756 1.34302509717357 0.495719564278516 0.670032151254859 0.26312203080762 1.16708095398052 C-glycosyltryptophan 1.68669911061809 0.480138484622563 1.19309106944512 0.828218587453963 0.84605241601104 1.8710298801431 0.774629773039091 0.737222758303628 0.363243548318417 1.01396032965518 0.613965093041198 1.62179292406224 0.738296685332885 0.36911694762224 1.17256015398728 0.380923649417676 1.13138429049726 2.90520284446318 2.56911853541758 0.975742095846544 1.71706136612468 1.13477351182078 0.485301706374782 0.393749427130659 2.34832548938378 1.27323720435431 1.63284325789621 0.986039670344819 1.54472783383577 3.59395670659491 1.01657586161353 0.442464431580095 0.606524828427888 0.893863820567579 4.09579241452429 0.480666787435343 1.63338781869032 2.201953808063 0.802997110552988 2.04069824440693 1.41642261148257 0.478090291208488 0.83469903227589 0.664059450238589 0.612941549748934 0.50182885418542 0.32364302049707 1.0548959282148 0.998824435345727 3.05174712614994 0.581488288024927 1.031698356705 0.936474945945416 0.280855675597631 0.441277916318335 3.3408085817111 0.549157140641739 0.674025457792862 0.453579901855057 1.82931852900231 1.29563891359644 1.65189115287332 0.433858222802924 0.864751241963113 1.28929763799739 0.307776017055046 2.41260982483285 0.578690640223741 3.20476928095371 0.500631008169239 3.31431247738442 0.587825998606078 0.374743095897199 0.318128829052044 1.39752801658446 1.61890582470451 5.10403613502149 1.99105447882112 1.0835524333921 0.627842433338621 0.778191715967894 0.612289151472263 0.302489095501482 1.11074282495584 0.455584333172313 0.389006732536314 1.25056906598313 1.13775496562432 0.672814242959535 0.367669209118603 0.278336990447535 2.21181375633459 0.839995757628693 0.696631236330385 0.691103676068213 0.698147260194614 1.27950186004809 0.36582163858918 0.511474901382692 0.761419197977922 1.62454211801279 1.5782592730572 4.29164431103355 1.95952100419424 2.08521016671806 0.928010702183752 0.960438105050383 0.629223877776926 0.95307723433041 0.979395087761828 1.30753003081958 0.663364271747055 2.43644820831113 0.926156001618518 0.395733030069144 3.27227378624509 0.723280636426996 0.644016919574979 0.718613136734479 0.352205052699877 0.709817346307622 0.498932277137362 3.31786858274496 0.397745482676687 1.31445329559168 0.478180307910597 0.362120258749 0.549308653902714 0.481887926532111 0.828658109435355 0.81908781886857 0.409939626421774 0.332233822394373 1.06359635441269 0.588719926845833 0.407932521341088 3.59577955355281 4.21942328705346 0.706639132845045 1.00117556465427 1.61205653405394 0.469390756265073 0.586170939043541 1.04865179935366 1.0522907913805 0.561056279155162 1.89124199876294 1.28607664431995 1.48986821911313 1.41975768573298 1.59139725529272 0.431543634927906 1.25988534902417 0.84917478748037 0.240882021079951 1.39661715450966 2.54935945540787 0.62066070476839 0.507564967995052 0.595123590258232 0.515638842296086 2.28935289577492 0.620001176455909 1.46998611425526 1.45690517230623 2.01922525030882 2.4696269387013 0.58059970731203 6.6006172828503 1.11021609356033 0.365782423392222 0.761877302778753 0.761917409230188 0.241747429176463 1.21371925840498 2.11456808916823 1.54211533902429 2.79285552586688 1.42264980650865 3.47281228219969 0.404046651824309 2.25079811838355 0.593446249333787 4.51449536280296 1.06119977112585 0.222349275499236 0.953168142286995 1.66940162956969 0.652268153516801 0.303892821301695 1.21098399841713 0.955327651883132 0.434878709178317 0.473982499327103 1.65163981911099 0.356768275618664 0.916190885318722 0.691074264670494 2.2095847288893 4.40143081993629 4.62272217637213 0.899354197006455 1.33883356179156 2.66475641123908 1.86750076202258 2.00326644765573 1.00180479031456 1.69706795102378 2.97497179179582 0.538931778034855 0.535551249806152 2.45039634086562 1.80122886167196 0.322583318924719 0.434220963374789 0.687486965403284 0.697535859623855 3.72177530761648 2.87134385132449 1.30881254601101 1.55325512872388 1.19947968563672 2.09442217298536 2.44519676225074 0.463301705682817 0.904978012752069 0.67897905017228 0.635594564773702 2.64990989417244 3.4379927523186 1.02140436750344 2.40708761209753 0.442318010292207 1.41150823430011 1.45211913576836 0.329504801187864 0.625264034138611 0.239145857360069 2.17816176981749 0.734535397954036 2.03212526759916 0.375136139121259 0.642109634995642 0.808349093683323 1.526088801031 2.47569281666717 0.744189466441595 0.371066671182356 2.02130543825656 3.83581577413473 1.09391326667938 2.85549021669961 0.953333024365115 4.2100027272387 0.988759498544581 2.20782628380751 0.657008736076377 1.0750329318529 1.11482655296636 0.353219300293936 0.641787892129688 2.25487471635826 0.237603095861549 0.711065102574478 1.62826043168802 1.36942052416458 1.97350389567332 0.322462108315939 4.03858418878909 1.28835647327039 3.00046790860007 1.11625969016429 1.12983884336559 2.04532563764802 1.7088467701829 1.520103135968 1.69787988385172 2.09120652683478 3.12461252711642 0.550671381997016 1.3311411444064 4.97686749006697 0.952637845873581 2.30629118709749 0.822011133550918 1.37804608498646 1.55395119846989 0.556902142041008 0.392841800547943 2.30920558923507 glycocholate sulfate 0.412982382803026 1.92591253895391 0.178850877454902 0.663051136545194 1.33694886345481 1.41299128804963 2.5387485614098 0.343062577167891 0.34320087040928 2.25073821875162 0.817185028993147 0.713520373298971 0.54704504187899 1.11088463265585 1.01533805814249 0.799113610183721 0.319467385150042 0.224348386341006 0.962980534567251 0.870708135652785 1.11353989730373 2.90768855307601 0.187043870438704 1.43220094105703 1.81681797770359 3.50747574142408 1.19354731642555 0.683658408012652 2.1116167828345 2.47643257384955 0.279941037505613 0.0901794256037799 0.368023584997755 1.13836857416193 0.816468498018314 0.0923895429430485 0.275649661258517 0.108852183759933 0.239114391143911 0.480272945586599 0.0871161092563307 0.959790312188836 0.62100782912591 1.40123391710108 2.07477108104414 34.6509166520237 1.48076299810617 0.246037603233175 0.762841914133427 0.655401315917921 12.9266287900974 0.455182647064566 0.103781799722759 0.464513168941213 0.739702063687304 0.597087018489233 0.288238739530252 0.747148519104239 3.79908627657705 21.3260235459498 2.66749253206818 0.216550498838322 11.9079052695289 4.52096487631543 5.41717721939124 2.36397040160878 4.48685643999297 0.252173997930456 1.09140358070247 1.49648177434155 2.78587633495383 2.10636873035397 2.22993615650442 6.05391163435444 5.674286885726 10.125422206603 15.0436732462563 3.13728108709659 1.10185282805209 0.287906831449267 0.721290927194986 1.63859114781624 0.984661941857514 1.12340732931139 glycochenodeoxycholate 3-sulfate 2.36560559652175 0.256790263178462 0.508121174731067 0.395415646158074 1.09463349713096 1.32032893135807 0.905366502869043 1.77224157132704 0.420266185111871 1.93982219188938 3.40663541453522 0.378695586420478 0.655220882674284 0.0374994362282395 11.3408580272034 0.1050820137339 2.39630151318141 10.3453856897179 1.31794258104177 0.802609129704883 18.1090155898749 1.79142826007849 0.153173115568629 1.15653645683365 0.0561503467131296 0.366581667026774 8.69303863234234 0.0460120996725262 0.301603224818492 3.42687789221917 2.48133426236783 0.371843643509918 0.458186624280368 4.16137130742503 1.16657025352501 0.252893744900792 4.20441224278698 0.13963512180161 0.296373308858135 55.1563426030761 2.10130954576703 1.84634687961566 0.915689007177 3.39886488560542 0.125868962073915 8.88814301321365 0.632657948299616 3.39467169541271 3.70573549562033 12.4403123192503 0.735122013239203 8.52484161582544 0.531590473881934 1.33326110805515 0.12774529991696 1.27107644587166 0.690363557957204 2.75721432040056 0.401978440835858 0.907662396584499 4.88938820739736 10.778989183627 0.219321037888643 0.246244190572501 2.11855114681098 0.13894911731865 1.07572747161441 1.4765023929575 0.643759695266846 0.281006906114898 6.65870039755376 3.20383547157599 2.10049200554078 3.63461144943761 1.7615502789681 40.6688419987117 0.352821677741662 0.295020020944788 32.0268907571233 2.14017982303559 0.313189372237526 0.674172126566688 1.21769539935831 0.907321510635918 4.73849424457867 0.706169986831775 0.626000579213087 1.50582884041638 0.254564965878033 0.570380820395594 0.186832360462635 24.3510480615001 2.19720805617358 1.98713879967448 6.55129706777851 3.51920234641533 0.272250011680309 0.2548978750303 0.248740927818621 0.33467576846258 2.01726129884709 4.37016079105075 4.14904041582225 31.6557510992107 13.0630779005788 0.90936357049217 0.257741521520176 1.69978122415172 0.963326109177597 2.05601257533799 0.35102608461232 0.402217744725262 2.57861564165105 0.040788615386068 1.16876214935265 9.58525526643558 1.37893591816263 2.11061651356373 0.160503886083535 0.660535060705862 0.261502174002579 0.0419029249935331 19.9510462382324 0.0269397574435312 0.517619359326511 0.275329869016121 0.0132396911710051 0.260181444441532 0.357827361616014 0.488223725368996 0.477697121695144 0.368369430507209 1.05565068925218 0.429864506788986 0.108778268992874 2.86714629460718 2.05124928839651 0.655414283056129 0.533813395385212 1.10977211269683 0.0625605483607928 0.58736683837399 1.56793422301202 0.0412292926844475 1.26831207896963 0.930986060629838 0.657335225841825 1.97050164444098 2.84236124891886 2.08549986105723 1.38674536454529 0.564125384168208 2.52917529530833 0.306358141549716 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0.994975423489976 0.200135523823307 5.45820264825152 1.4569572704459 0.0483796026392283 2.81719781497864 1.08521038418338 2.78217431070638 0.501922410999871 2.9062386660659 0.0581284704909033 0.301263072658464 6.38890474134168 2.19418108865531 1.89941940961299 0.511368064071773 0.257359037353131 4.59150172466223 0.155872611121625 11.3262453338615 0.0347870846323719 1.25737251356557 2.7129745457784 53.8914426636964 0.154655064624298 1.67352498460489 0.946035386190163 4.60438879224426 0.158629668409004 37.6401634488792 3.21781953710968 8.06944702413004 1.55247051199647 6.71500418055547 0.376625275163751 16.7759620697353 1.3673849878509 1.0471561969191 6.10285807028841 1.05531194209213 0.882154037795503 1.04467569494777 8.40916095343617 0.605693348200135 0.623930472118595 0.0388472330699222 0.0472581473957805 taurodeoxycholic acid 3-sulfate 2.19369887749921 0.14058655938412 1.05454301571879 1.131355666485 0.600983547098618 23.9442616290486 1.31848239036181 0.179214184075021 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9.37205537889976 6.00225241998148 0.0632785286625009 0.624807673122293 0.96578443371239 5.7419110301133 0.5030196198005 8.10965126131304 1.04664603002196 0.168734780708718 0.208958673784108 0.0818002217291785 17.20295456238 20.16498379185 0.0226127228708449 51.3368808128384 0.477798277032201 0.789019347205692 0.12816030822885 0.233335534700335 0.286185204284516 4.5756640283049 57.2264925619556 3.68758667882571 1.56295324155975 0.421766695378113 1.4518673446877 1.30387857446967 1.84293761653779 3.15931199318794 1.71198110384036 0.393803245564363 4.91276614878337 5.092101214171 8.95572161044516 1.58313930859278 0.460340968329823 0.652841379329726 0.218728527889681 0.0525946388751108 0.602889785984974 0.13625033196146 0.347727697459107 1.65518513262299 1.49782696974338 2.26877496736591 1.13519016298078 0.738537318088633 0.0737741313148203 0.124796432099303 0.19605046657271 14.5585699451579 0.465963587516282 7.4327519850944 2.02111415399358 0.757527621301177 3.5176427855817 6.0166641140177 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0.0409636929008724 trans-3,4-methyleneheptanoate 0.715074765457398 0.949000992603503 0.86680701866735 1.62771765233262 1 1.64261470974352 1.4506259805962 2.05102302199737 1.03630207165957 1.78667029553969 0.547228715058756 0.808107329256188 0.564151003810317 0.768899490890461 3.05446511478979 0.478549781120216 0.353384218206308 1.6818385901897 3.57782579414076 1.4881748793355 1.31349758671007 0.678577842631047 0.643270849702548 1.28708048041307 0.326389044786171 1 0.742024918621619 1.61429453361769 0.245981591648894 0.458990908070491 1.81178583454933 1.42266808844988 0.833460545515771 0.384695251992367 0.323745650465821 0.910001122460433 1.22297676506903 1.3494499943877 0.637843753507689 0.906633741160624 1.99895611179706 1.052935234033 1.42904366371085 0.370193063194522 0.276518127735997 1.7064373105848 1.33814120552251 1.62340330003367 0.428970703782692 3.23024469637445 0.519222134919744 1.74927601302054 1.17963856774049 0.977185991693793 1.23984173307891 0.955382197777528 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1.88672129307442 0.539634077898754 0.331007969469076 0.718857335278931 0.25994499943877 0.534611067459872 7.49993826467617 0.56699966326187 0.760057245482097 2.97102929621731 2.00589291727467 1.17931866651701 1.45112807273544 3.63661465933326 1.01956448535189 0.328286002918397 0.50376585475362 2.85584801885734 0.878134470759906 0.971332360534291 0.759597036704456 0.382079919182849 1.35620159389382 0.27605230665619 1.39310248063756 phenol glucuronide 1.31876469013121 0.435356811096896 0.378860756564484 0.163005497538835 2.98771896766601 9.92880637621943 1.29366708650277 0.61372434289039 0.399935206397377 0.921560071272963 1.07843992872704 4.10685655159191 0.175312976241244 1.84473337101941 3.56826773187841 0.450954793452845 2.32796180826189 0.729205637828007 1.73628215120811 1 0.451675759937646 0.115890491036633 1.16085996362692 0.614016627695505 0.344225772928033 0.0846940763834762 1.33502857885165 1.18733112496752 15.7360775526111 0.290474798649 0.361993374902572 0.211444531047025 0.37094050402702 3.21384125746947 4.94113406079501 0.458144972720187 2.52009288126786 0.403526890101325 0.523515848272279 1.2075116913484 6.28374577812419 4.10453039750585 0.501805663808782 1.51894647960509 0.274827877370746 0.172252533125487 0.121453624318005 0.244261496492596 0.229202390231229 36.2386853728241 2.24444011431541 1.20013315146791 1.04921083398285 1.7776597817615 1.33888347622759 1.25242920239023 0.246258768511302 9.80781371784879 0.497343465835282 1.94882112236945 1.439302416212 1.7395427383736 1.87891660171473 0.95146791374383 0.501299038711354 0.123636009353079 0.150383216419849 16.8512925435178 2.73795466354897 1.88522343465835 13.9444076383476 0.324305014289426 2.64300792413614 2.23780202650039 0.901334762275916 0.910587165497532 0.328241101584827 1.17900753442453 0.945771628994544 0.803890620940504 0.485538451545856 0.128088464536243 2.12301896596519 linoleoyl ethanolamide 0.71242332302403 1.00560963246476 0.455508620879646 0.51919073191158 2.30992852052923 4.35457049874011 0.253755794391837 2.83255731948312 0.497157717652417 0.167674823505212 4.12936535339362 0.994390367535244 0.337102473498233 0.892436987136634 1.76417210904843 0.692009432645475 2.41540077723823 1.19815461016874 2.66890826678813 1.01251662099719 1.1610881335263 0.704227793980444 0.349698434504088 0.499296959367631 1.74258574965289 1.09289980385387 9.68469252073492 1.05218515607208 1.16953931370893 0.426136655818635 0.330188138668704 0.662584574245352 0.558585984734395 0.963477149342874 2.5838366771229 1.52480330289518 1.26392279818046 0.529618873840302 1.20713080277214 2.98354649784837 0.657427634002382 2.08763731478388 0.751973877709531 0.362463913374967 1.0792063940788 0.488052507288713 0.170979928554907 1.79285920291035 0.691955145502985 0.404088818072011 0.397128489801513 3.00977158701196 0.380459395943449 0.23711803860091 0.287943426451817 0.525054326254501 0.687945996419179 0.233901296120206 0.526553473881993 1.09711621106856 0.27298478864874 0.324918117984346 0.292216711069992 0.70279898000851 1.11422791041665 0.463499324669688 2.09462619824728 0.505925202527706 0.690777243795671 0.517384401440324 0.294743845642049 0.816315866121834 0.491606201045691 0.353112087698708 1.01850804828112 0.886961413367828 1.50794262690642 1.14516888968843 0.361187496252131 0.896575946818809 1.77551763425938 0.922436957272865 1.03524424684251 1.02738157447623 1.213534304781 0.900293832934989 1.89105765578999 0.544057807132516 0.940276814040017 1.61857401077673 0.684787792083929 1.99431037781376 2.47642340497831 0.314766746906759 0.745096359498457 0.400303827252505 0.805329255651787 0.787252390783526 0.564985908012302 0.725537480118447 3.25848017841285 1.04726312753606 0.853022138841059 1.07226034340475 1.23230648859648 0.159162361971336 2.60201628217099 1.24817318153393 0.625385852044123 0.880242376477374 0.982252947609788 0.924812749322528 1.93470997918326 2.46336797078233 1.0112850122359 1.51192179303767 1.36065494190446 0.801595664179509 1.01781272933389 0.443073795185023 1.73995642477563 0.51149774842304 1.12372393981708 0.829909565704071 3.46179457965328 0.388796084511949 0.967548451023561 1.05721032898438 1.05292705004869 2.08393656178344 0.519453225166263 1.13324709665076 1.07778434547215 0.327783631592323 1.15788880036779 0.386655872803749 2.81655430198259 1.73229934979826 0.716035739679439 1.20192804662492 1.39335349329952 0.817171094149327 0.506886084768946 1.90596632200549 1.75122430389579 0.958753451608942 1.09092687300649 2.04421343293385 1.03308261873963 0.304773857149792 2.38545369918247 0.576056756301417 0.477262927649708 0.823364715490336 0.537367325434967 1.67386400303827 2.50167190654457 0.578639573499639 1.03774425398131 0.664717774750927 1.0655855670633 1.27340454998444 1.33354178624154 4.2058700910054 0.454318830150857 1.80214535164292 0.383577623008632 0.955900787837772 1.17267610701344 1.04188047367354 0.66411526018064 1.51393493413745 1.00095088792372 1.20999488862047 0.867312585130169 0.241598348367642 0.887092767255189 0.303019140545804 0.982951122076305 3.1702032273079 1.82383302065397 1.71498205306126 0.671940810796147 0.831274503924911 0.824753925625145 1.07723894128767 0.911944351640068 1.88875610724188 0.747801964026168 1.28255220603143 1.24773771484213 4.63076279486806 0.607730176271206 0.592921453230877 2.63330991807515 1.44956581829189 1.36006242165169 1.23436960128384 1.14975628142856 1.94555666920808 0.922571166679517 0.530962395666464 0.984076196676747 0.90126613725339 2.54725741649748 2.81613025736795 1.91841210283296 0.780833183418571 1.52902492582789 1.72735787366612 0.851268849996716 0.49336377316897 1.96618351280272 0.576606443764831 0.290838923012344 2.04246585512808 0.511303573111288 2.05025142847353 1.13870113849554 1.10501029414704 0.949255994448871 1.10964622971511 0.98335089477697 1.13462631246805 2.22042181730959 0.325049471871707 1.05294275540478 0.785186422576878 1.16879688405735 3.53693043098353 1.81084326340167 1.92532531503517 0.999049112076277 0.462962487043081 0.644320800459168 0.557998452308545 0.452946753131791 0.148361360255169 5.14466489053367 2.13910233895585 1.06257584973115 1.00537408730465 0.286515666806587 0.683651295406326 1.83887875179541 0.607790142176305 1.61683214400955 2.40959711478331 0.599023697954592 2.26932401291837 4.99301968309447 0.671748063244041 0.334898157904506 1.65161665224629 0.513909234463833 4.23574025054326 2.42302947752564 0.781308627380432 0.311832700835811 1.36194706438339 1.35103184189561 2.30972818311874 1.21602717312157 1.73867857989315 1.27296194449442 2.97031259369673 2.27891712997467 0.87959702911773 1.16832001233584 8.22250634639162 3.79406565981057 0.212500606797849 0.937855333681707 0.786455700901487 1.8820770476215 1.63094554810265 1.21483213829851 2.21077016210783 3.90774102724451 0.430262507888372 0.292695010551144 2.01597377491084 0.449297399478582 0.88625752786273 0.485198415757898 2.20697374921116 0.987854048698026 0.96518693657035 0.750520418390686 0.419271614139389 2-methylcitrate/homocitrate 0.83628894051292 0.550015326917592 1.61692950072155 0.531665944309641 1.50138537478425 1.13159611559362 0.419901152737707 0.950067455667459 0.292407200095611 3.10419186888617 0.783000764544556 0.538527265701397 1.01649213925707 1.87276543801229 1.45946809565438 0.942737476764879 0.8270047600378 0.55435416817756 0.462749794688225 1.22051823934521 1.24411370395601 0.780249281310888 1.11617302296469 1.98410135783802 3.20691683349799 1.41547631783688 1.04081690512803 0.983507860742932 0.860958307494777 3.56450783991023 1.40651570708361 3.3707828027267 0.38200482446322 2.41351199658716 0.765032893116439 0.68292572521481 1.05681991301664 0.804866762385011 0.897874333821435 1.10476936399287 0.618914003172818 0.662967898851741 1.39199743161904 4.75599791319047 0.54131367436528 0.636387514366786 1.50284634961439 0.532314450927738 1.43176891722696 0.509746020521562 0.922408990702742 0.998688231379476 1.69112556290318 1.71133862973148 1.53044693518395 0.574899287475891 1.52028790820168 1.03090026279117 0.638999639962593 0.97155666442935 1.6314156507291 1.93579161727168 0.824126196059293 0.747846955382559 1.43743708141848 1.21448890949748 4.09095309490476 1.695895250226 0.898387097080958 1.07126553433983 0.736480576333731 0.901796135902805 0.552119361244569 0.943439131330349 1.11968590587637 1.38448476516831 1.50248117696666 1.62425902760991 0.757959194619333 0.698031700409317 1.68681005906097 0.643579513586229 0.756363085838205 0.746660144277431 1.01585629086914 0.66115877269277 0.476937540451905 0.740712394777499 3.14775474928901 0.86454624350511 4.52350085691946 0.915937827074395 1.5258430971053 0.94313063652065 0.717725917767304 0.810425755170379 1.23052987882545 0.890598649203553 0.540889161162291 0.650299451080844 1.50132745963273 0.628582329409693 0.704165079338513 3.74567931336891 0.760841395819192 0.734966631398343 0.615546046273841 0.744383140663553 3.76553443492481 0.890584194452913 0.49124964552577 0.67917395664754 0.711919672668368 0.608478433987531 0.294547116495971 0.542712742071902 0.434408620965437 2.92386131275383 2.86405782508877 1.54768346454506 0.366503245567004 1.08943363434084 1.01206572270805 0.458973708900722 0.944910472790168 0.653884229239412 0.650854437427762 1.49543258408909 2.44868382838635 0.9775823935051 0.848460007984348 1.04687884845849 0.731928851435024 0.706414314615636 0.423427575137601 0.595207831736052 1.66884660789796 0.833809737823156 0.589811645089465 0.943277846744267 0.935979719224077 0.562046731828429 1.72624337958156 0.363414873976447 0.838385807565046 1.07907794667224 0.99442750343443 1.68123585074861 0.799386890339985 3.26155547952019 0.977463332006413 0.614748372271452 0.863911756029676 1.28475155041465 1.25025718995463 0.260522535431732 1.93001276012132 1.5902880812783 2.95271679891179 0.33239764182155 2.32905364937758 0.738932938896156 2.73030269198809 2.16994716598447 0.670068224521077 1.57405843941567 0.890282166242185 0.561473486849125 0.955827993792826 1.24975051290591 0.231520599826505 0.693974860525921 1.00321028600056 1.11017277801478 1.61323766063555 2.70212277522844 1.26339884061488 0.858167894591394 1.07935144576987 3.76275151503855 1.64063702086068 0.502794426628542 1.51849437795788 1.36675030768649 0.911844089538051 0.518111897648193 1.00311747128592 1.05767692757428 0.6263597213048 1.13252590871407 0.864084452260999 0.360110822290823 1.7519602829099 1.35904782753657 0.776063769795163 1.1977678061131 1.82096498013328 1.48007250959387 2.94116441004552 1.15158107393852 0.305056861375328 0.986445818364266 1.60626742772197 1.9152034877031 1.56644573087499 1.20811246252463 0.478719659050471 1.73587556894184 1.58204506953211 0.351314345750408 0.271790013555133 1.51317312778171 0.289870624275955 1.09909701553144 0.459939514476338 1.2223914738273 1.40025984316215 1.9663253760565 0.475875496668085 0.798769520332414 1.13339471530513 1.95725425925394 0.613380496395156 2.53016107347065 0.449737884018504 4.35637198692149 0.246102400116247 1.40678350035861 0.953108218343573 1.37279924044089 1.24089317425754 1.0503335338613 1.34640638732608 1.35060663355134 0.755897110324173 0.56361164877923 1.28260578072105 1.17343513535257 0.732873355272855 1.76126077378182 0.56212737412147 2.93388149805232 0.870033342925455 1.58204316759123 0.71867726859228 1.0188830395754 1.54505688419862 2.76865571009248 1.75898833482604 2.88309282973997 0.693287118706026 1.54110160795787 2.1719856662128 1.00131176862052 1.28548265648647 1.07209592172524 1.54847961699476 0.970270191622445 0.816843284066091 2.62285254233388 oleate/vaccenate (18:1) 1.7072294924001 1.96151029622004 0.698095300692126 0.826412890927358 1.32561633518954 1.89081528815401 0.472625143717485 1.54405086699723 1.12144893365559 0.227588024912278 2.46708084308187 0.892381220465985 1.42852054003293 0.653703669143392 1.57378446859842 0.411995269695876 1.69238722099483 1.07081979807736 1.86821984714663 0.728476227032314 0.421166486224598 0.929180201922637 0.807030943705335 0.346666565218075 1.83836753999867 2.39816108907869 2.7381865171592 1.21938029753653 0.928487814650078 0.715586668173601 0.634784050672369 0.373558766426814 0.804049966831957 1.42648344152826 1.76380984610106 0.882440332776411 1.2529800794131 1.08990185912556 1.36265221621249 1.31302679196129 0.695310555047807 0.463217856564697 1.26318903139838 1.15151064353531 1.28851705372533 0.654717473035584 0.281176543276491 1.60488114202161 0.70846662241653 1.04630116591641 0.946949411411349 1.70498275319616 1.2540873753453 0.514524077258975 0.720875965839184 0.612254584685514 0.813113080956507 0.44438957135397 0.571061688184874 0.913080314851737 0.549199172219047 0.249533963773366 0.801944355103167 1.19080155234749 0.761919452516371 0.319651713164856 1.19512299216488 1.02745155188365 0.840941299997786 0.821802053809576 0.574178087694928 1.2152159012507 0.408542887933234 0.348518970608751 0.996524686876933 1.28986679457425 0.891044859032127 0.760537870742987 0.603196966768749 1.22057332687589 1.35773998287837 1.38857685816061 0.66780928464829 0.856662839348922 0.661482101194865 1.40034298902392 0.405561446675045 0.622395866536884 0.775398145275391 0.636712422225847 1.10367830577284 1.8657886729646 1.42387102464899 0.834214600610139 1.5060742740859 0.558021603200846 0.795450763802905 0.705002198032461 0.881542686320426 0.923184127827925 1.08938434490578 1.84534466248378 0.487902371831578 1.05635659646906 0.726316229509973 0.226672309918365 1.39691556896181 1.24555079698586 0.542003425338806 1.08684835671793 1.13767992942779 1.22245417153148 1.0583049810295 0.844544626599071 0.845093691257038 1.38161132895709 1.0267707370085 0.909595693401992 1.10821315312026 0.809698414510296 1.22526480043872 0.530426872175377 1.67495647190676 0.775760339103063 1.80591872765565 0.56670354545113 1.66417215092069 0.363035928264379 0.844805542363991 1.54485730065069 0.32253891467084 1.06982737383847 1.21178858524337 0.67682707912923 1.75732943565973 0.803562373271816 1.01483841716667 0.671484303068762 0.60786793720353 0.920234483174566 1.40442938048547 0.790763090166628 0.765123341063944 1.01941484291092 1.22222567188275 0.869307267739278 0.657439116796624 1.26746246952354 0.891084436622467 0.602089890026025 0.936905970442715 0.877633849895594 1.08306854180203 1.08111647068337 0.284315707179205 1.371531460464 1.78683557357969 0.916307683489766 1.12876398498976 0.450851889856045 0.67969388236484 1.08981343054399 0.824696615264583 1.96352639035997 0.337214014241118 1.72180335434183 0.321466894434442 1.00942465583184 0.992334255565236 1.29194244391627 0.520860814483116 1.5788236022027 1.01385971464147 1.11526678412836 1.05467389701171 0.186890000301551 0.637236065240282 0.534527817657521 1.5310425449822 1.23279396614499 1.67490719393765 1.08970359927435 0.96434267918442 0.824455821735819 0.781411722383261 0.965769585969172 1.11944425788962 1.38938956986099 1.40362747747577 1.00513346962172 0.977080111997578 1.73643015017197 0.402281226235698 0.626979125693682 1.42401995048924 0.858135259824628 1.0002048352946 1.01825623978075 1.11717163717725 1.82819845095649 0.700072185782341 0.427494111462499 1.45949901060645 0.581017209605379 1.25095474264664 1.16651262831889 2.18778808365307 1.02539906083304 1.31977568970285 1.08394852074519 1.05660038317864 0.544720376518131 2.35416179586471 0.972190886974661 0.460438387247899 1.68351884252462 0.936815754302734 1.94346370260517 0.963334651034355 1.03825125194198 1.16118679359764 0.503585876429356 0.968210035165225 0.962180816118308 1.66678446457718 0.409685617409772 1.02750625370837 1.03681322558682 1.15147379063875 2.34964617151457 1.115371916072 0.901138859224687 1.02426785959886 0.400800840912249 0.597038944760056 0.887051955655425 1.21578711095055 0.319721475634924 1.80785753837308 0.999795164705399 1.11489035904262 0.705470868326464 0.842239727386178 0.758667862076393 1.45698014440848 0.753354129022863 1.41531806665347 1.02085506308777 0.912676723277898 1.22063282180438 0.950502427203448 0.52587861075322 0.178436398245683 1.11636007216701 0.889046862178408 1.95049094994472 2.00959077279096 1.55017577092673 1.00370623638115 2.31433101245526 0.462808466184752 1.47932328203468 1.11510460238307 1.07873618217373 0.867185670181244 1.56569306053229 1.65840246329256 0.372613144387011 1.34732358611969 2.53179986477231 1.23826034467614 0.345035128766993 1.67900810698297 0.802943562843932 1.84030715971492 1.39016209634249 0.710939828636645 1.49721983341177 1.47028150083852 1.06382877242999 0.839661359997161 1.29717060395339 0.177494682057666 0.856912775246619 1.34065926002782 1.20094162889762 0.943521589582154 0.93288216327692 0.299232382776645 0.841440514385331 indoxyl glucuronide 0.177841038793624 7.65374664858357 11.0268158074955 1.61128269169654 1 0.194462721506806 0.197945061388549 4.42127584339318 1.29960655825758 1.89666447341918 0.409969428815691 0.177932797106704 0.407124921110231 0.637485285099793 3.08963668184036 0.205270060381446 3.95013047584518 0.68524660606142 6.65274625917024 0.235669957593864 6.7314616597089 0.878916302290459 0.414332350671705 0.379824439915847 14.5551550165206 1.28773783379169 0.38380257074834 3.37624069274347 0.455654261387993 1.98146792500115 8.918689696562 2.13927678742193 2.40146673789315 2.92697834846896 1.53765044945228 95.350322167923 0.48832347374183 7.49783748491384 0.323049020965646 0.173718747732954 0.56353336103252 0.336014878420355 0.446025496441974 1.76464132850576 0.407085715793153 2.63224581049799 1.35785634674106 0.285945300701053 1.55882054224456 0.317722863040711 17.027494740452 0.718585494859163 1.20790350130912 0.352853345995819 0.501444974246351 2.05325102717818 5.04316984218059 0.141730143969821 0.145201775385975 18.2335885615549 0.208646103317967 0.427788879435992 0.896612125648787 0.206852251218435 1.13355624583688 6.94829089422208 0.32315981771297 8.31453877556404 0.233184944832453 8.19351970929044 0.224505866292068 0.167493025740459 0.472115492418996 2.61812450124976 0.194195041845557 0.37798046547824 0.171579315302482 0.204084970553126 14.5232033450066 0.956539975862137 4.57721675932704 0.271942702253527 0.264160549762908 4.13769925278146 0.202333326738289 0.357340614262443 0.492185531791412 12.8199143963226 0.580809739561693 1.08017595578682 0.248783544045005 2.51888227186092 2.55728389687989 0.293785489583127 0.568693323836469 1.25545641005349 0.982466414735967 0.273013737477659 0.538757097916625 3.27487222101313 21.6610991301136 6.04863713405747 15.5012299757962 2.81066022990325 8.00517315289292 0.211561112979707 27.0863172612099 12.7238509783749 0.11641044918848 2.70287609889929 0.873152233411814 0.68857276642331 21.0120306801469 1.19420691292563 1.59158208522117 0.107668058221053 0.465003396447909 0.547916295695415 1.18791787850609 2.60640906422914 0.115822171220545 3.35264889961683 1.51932941587691 1.56279867307705 1.03959269005269 0.178704601362536 13.9151534337099 0.432721972709706 3.12903995937453 2.49558593672714 0.113730223110355 2.22207361388653 0.787324324502569 0.625418620448595 6.62596469013184 0.359994460162634 0.296199275864116 6.53634858767122 0.775334533631429 0.940171075453904 15.7902037209241 0.249284767425756 0.255808585428909 4.40246127060127 1.31283593507838 1.4474223268636 8.7422221342883 0.381030014047445 0.232918505035317 4.41035685785701 0.854203351601607 0.910609448060727 13.7117701758898 1.02228201729221 8.23166280856564 1.01753358526403 5.1099380725323 3-hydroxystearate 1.04961380633421 1.46013540981057 0.518252558940476 2.27393143484109 0.865272631308337 7.40144367537078 0.551341568983915 3.76589406275563 6.90535499214575 1.40753692192505 0.748698303294845 0.564523461294976 0.657086057632228 0.497309325066929 0.950386193665787 3.78191921023 0.715874819670526 0.66241001394122 1.3585544447195 1.4319839783178 1.10406408166369 1.12691932483535 2.29992145582145 0.910098444509975 0.495775584351997 0.544016268938235 2.15208406359946 0.902023787665504 1.25724006698975 0.442046080487846 1.4521640914933 0.562059174275344 0.628368265555364 1.54317194220187 0.582057801838694 0.889143284240903 1.38084189715257 1.09588510108738 0.725383308573834 0.480329180785145 0.564981629749975 0.816418515283195 1.05061277441778 0.927517262100162 1.44151843423525 0.798188754550833 0.587543839150425 0.69750244349363 0.659191059873476 1.14913147015785 0.598918835209306 0.626952244768513 0.463157030863133 0.745976813239192 0.745275294100192 0.735133172721152 0.560708066032749 0.740772681833946 0.584187396951336 0.794040842972846 2.20153536713608 0.705616975186716 1.47944173357295 0.939551120483246 0.981470714241998 0.809839628922804 1.56244818587985 1.38520587477072 0.938657645677659 0.59366787403999 1.44360537253309 1.0508524871705 1.36875239944583 0.840731508734447 1.24224758757166 0.858155890256998 1.81844749595224 1.45479675882393 1.08052030186188 1.13424656009882 1.11199917653801 1.38039539158029 1.02450031250753 0.888105147193831 0.94340831659517 1.66819535708391 1.03673586343884 0.993837017583881 0.425262014848281 1.25509378008001 0.752684597366034 0.419944750151617 1.03998519993991 1.30103424229442 0.851265887345207 0.913189672599673 0.566438916368533 2.93359493088669 1.07269138536352 3.12608334399754 1.60374740117993 1.16683126633246 4.25597195407159 0.70324024874487 0.847095720037761 1.97962348869687 1.03616695135454 0.746179896770508 1.73545819910347 0.782543440401939 1.97704136041856 1.16920613813019 0.810521210637497 0.693187150283668 0.917413160925616 1.5537638147804 0.999231713672622 0.764162989834696 0.661876120900541 1.20708214404279 1.82204365090405 0.81767781864177 8.11789462653959 0.728973435932246 0.371105479175129 0.818807296911832 0.59014915048026 1.01851491226606 1.44224591839195 1.94949015833097 1.63665156986352 2.06652283901504 1.11870510602073 2.50591956037516 1.36352693963319 1.27090230291161 0.952411222822509 1.60664945556922 4.63620367330815 0.450886705354543 3.58618670331443 0.58703288469492 0.679547170091267 0.436026369330121 0.652721597516261 1.00076828632738 0.773062035991224 3.37252567291125 4.27376494611331 0.930132310311636 0.86321814138694 0.624703025110027 1.12321838249068 0.960781695404377 0.457405315780981 1.94640820346188 1.98242261033742 1.26839760602537 0.579441362644129 1.65725481141051 1.25725490414272 0.733391661890958 1.21270264305334 1.31751275531495 1.61222497945982 1.4305023118139 9.92693165821876 0.55969728498647 0.651644512942634 1.39196651625503 0.572771135060749 1.13348615600895 0.832005408142259 4.84505143855471 1.85288360068028 1.16333387118013 1.50163255048805 6.8250579112627 0.282328301683831 0.927087911986009 15.1606608653399 0.586994864490427 1.72358337645381 0.63900094030457 0.648207857385286 3.5994265440376 1.1689608614451 1.33005154056014 0.608977497602873 0.936211370081252 2-hydroxylaurate 1.04446074447066 0.932471634650332 1.15338897369308 1.70711496144163 0.988616854667645 0.318215279292138 0.834481163557547 0.84395456257558 0.521552379253151 0.532577364550086 0.306069557057801 4.93159407648237 0.87882692676222 1.69958699257908 0.990953485452227 1.00904651454777 1.30236240244765 0.548093227339109 1.1299645144024 1.64401007077295 1.50057688876554 0.506485868538086 1.91935980545698 1.64897408956644 0.50260293796959 1.11730335890675 0.55249159116891 0.527330518274752 1.18246998262065 1.12596792419166 1.34110436246879 0.691798090746493 0.868864268145143 2.10464568601676 1.15721018720043 0.579253106923738 1.73044492810285 0.481269182579678 1.16725516332706 0.723047417335973 1.27215943898362 1.75059952776606 0.920634529720877 1.53126625805399 1.2785349049837 1.06086399724171 0.253146943562811 0.926868387108691 0.612660425626233 1.23832421599623 0.754456823226275 1.05742229227402 0.595245644765561 0.863923358956283 1.39860361594513 1.53375980100912 1.06482595993708 1.22102949461118 0.680583304344614 0.818322307358415 1.8447323135461 0.534360098387201 0.616342249545159 0.808280409679872 0.484877123744378 0.514171635794963 1.3503951188127 1.32632165472742 0.783418862882844 3.02881427414812 0.255477328769021 1.08502365787359 1.17651821363814 0.401565083010353 0.785915484286062 2.01143027776837 0.69002490464507 0.585699377229951 1.23201031895801 1.35262391523185 0.679278042353289 0.752074104402489 0.899698004242102 1.03420155831042 1.32432989881141 1.96733458728786 1.29080559908139 1.0458411705491 1.39393053174034 0.562121543287598 1.09969861993172 1.7355151321116 1.05096370817544 1.25138607125376 0.989773395435893 1.86850408971829 1.77516862199428 1.98526654742811 1.78694984284523 0.697256179214934 0.698955482562131 1.07836497464898 0.949116331474977 1.68253196198732 0.507362108613806 0.894932566594528 0.689664726218219 0.816958554853327 1.29743657627317 0.963415722865789 0.960207979953146 1.48503412459711 2.00444527904593 0.389870058706005 1.20921133238312 1.23680654108651 1.68624149193908 1.03178189810953 0.598441073885833 1.25921456475362 1.45208241621234 0.514531814221814 1.04964613239174 1.00345094031197 0.493703034426285 0.342702077028928 1.60073451771493 0.535471418148683 0.696231056000049 0.670652230797411 0.539002398111064 1.18024929272655 1.18564273378504 1.46170564495027 0.75395811463525 0.548434763067243 0.430641025246353 0.740185137868298 2.6603856064081 0.742164579991934 0.985900707735217 0.340488672850243 1.72788673773777 2.66580675349943 1.6233703465409 0.955959721585154 1.1826043055175 0.767293951773032 0.895446667426017 3.47278190118797 6.07613925667792 1.41663716487245 0.99654905968803 1.35585628572924 1.04450204562876 1.30495106806757 2.04594891623235 2.97695473757769 0.851387918322615 2.71834354865026 1.15817066300537 0.816272060928645 0.350207333479047 0.848752766755223 0.789609621997359 1.53338730878989 0.43661013609819 1.87214589381201 0.987239832655562 0.902114585994908 0.869710841370648 1.2405006787978 1.0903709222107 0.477855183644821 1.23170555259683 1.02521864677579 0.423696046349115 1.13101875082733 0.93858803899778 1.66826643352553 0.945847019600479 0.285208980448776 0.773318474690539 1.4274394392299 0.586130359962936 0.640960598942861 1.21175105205964 0.511013148051804 2.0322590575639 1.05132080815419 2.18716964403905 1.86909207330401 1.7286378790724 0.849165278799651 0.447452430280847 0.981929509695572 1.74517222377855 1.97878641419288 2.3255643564966 0.732165780586691 5.93279439968723 0.60847681466819 0.60795040004433 0.598062424770425 0.826769568924914 0.702960543530795 0.885398612851289 0.828124086085722 1.73089130307629 0.871754930904233 6.33101013117267 0.862596547828309 0.86161144443863 1.22398172633212 1.08751412238063 0.621317021663039 0.690812987356814 1.62642416704891 0.825984564661263 0.65226466033943 1.15461197701015 1.96121155403138 0.870914514574913 2.59514713442659 1.27388029146747 0.313656919273856 1.43077647696243 2.1280603622102 0.446692053601938 1.23191180861904 2.96448394435397 0.499188828927561 0.382183173818415 1.11563882415597 0.728062209279058 1.29417342129486 1.64276149107712 1.21569762251454 2.12886075871432 0.41974639744612 0.762162178802422 2.34064875215107 1.40753419386219 0.502218021850825 1.12149711087647 0.313312133087468 1.19334808936119 0.906378236603364 0.655804875646089 2.47008210221063 0.83363450817174 1.45955996662962 0.487712374437798 1.15517841145922 1.82404206391474 1.17602258349521 0.62406299736177 2.16544811429662 1.80619630032108 1.01717774035753 0.937322796831661 0.705620322682929 0.39341643090885 0.991531189296852 0.907061652079953 0.775498015940204 1.11249572865327 0.82519648194952 1.75852653160489 1.8462161255268 0.883099012126007 0.881107256209999 0.791635240842387 0.73735296562297 0.425653939336102 0.825572052616835 0.690452808929962 0.617358137415766 1.25308537460096 1.1897801680217 rivaroxaban 1 0.117571831773422 0.176244732138343 0.994262975222834 1.00573702477717 1.08691191034895 3.34785880197599 13.3144478448237 0.267489895520124 1-palmitoleoylglycerol (16:1)* 0.571311182841013 1.34594325930662 1.26986500993602 2.37818901878581 1.14052844391323 5.91212294876499 1.48573354016733 1.12933520367942 2.46063940224006 0.11678279887089 0.961575786253774 1.13949919349272 4.41694973134589 0.121807575355753 1.8871634557747 0.658976843795525 2.36025581175684 0.328355860437912 0.358090139903582 0.135560658792927 0.0606181496833914 0.726649207479447 8.49952613156241 8.19370025176106 9.66749262518119 0.684132287174718 1.03842421374623 0.332415416640934 0.720345871736279 0.181964117691936 0.428989667987837 1.58451501484046 0.702131794914645 0.324944098510141 0.986781613436797 0.619437516995352 12.1024109415156 16.7210646617213 1.40200884354398 0.692289365966681 2.50111447880068 7.06098987365582 2.75617542742187 0.433998992910064 1.03816780025785 0.538281055298548 1.00494064470787 8.11719711088946 3.32803371650816 1.73129243397666 0.896901958981049 0.367531057143555 0.607971981630165 0.878521905341494 1.0211486994215 0.776010292678653 2.01836188741749 0.355945927483091 6.56235357031548 7.46629758958833 1.10565758601564 0.474948306690487 2.51180946357985 0.908889773230671 1.04810888682122 0.276633337326118 1.4650308740621 2.24116038257307 0.361218673438126 1.88299022827561 0.836246457350158 2.50715966765654 1.34173748181722 0.832912577137847 4.08730005092219 17.2203076411861 0.791966291061102 9.13945886987554 0.429978580888794 0.341846668381104 7.42628989165173 1.14081149649364 6.24852300099176 0.641067053607197 2.8447149445372 5.38362614066371 0.589121876994618 0.403055482859129 2.28440583113021 0.874601407541594 3.05284156613271 0.248398486678009 0.321602684664851 0.205972031965739 0.186279090318861 0.313178856107058 0.226927904509254 0.475467557871244 3.23325788674231 0.219516464368753 0.579018808284479 2.83737730467385 1.56492844306205 1.63334129997864 0.882544588140523 0.294015005677891 1.98867260361512 1.84873857349363 0.910319227829592 6.12833111270192 0.326161271014866 0.270403837008871 0.417842409158955 3.22701703253627 0.708711252252564 8.47928246450538 0.560082792557072 3.01989901472845 0.106293971482437 0.782149340348523 3.25898920491177 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4.66711237811903 0.0672529627261998 0.0352932343767562 9.17083290891593 0.0582714854726312 mycophenolic acid glucuronide 0.000128379116209489 1.99987162088379 5.48620297058587 0.00131722316383047 30.6291119642693 34.3827185541091 0.00287863743111614 1.69814337496076 0.00398208417052195 45.5518691908885 0.050146324911607 32.8239532033305 12.3061441665069 0.00341359723445931 0.00139912983985525 18.8856928721889 0.0443104196403909 0.301856625039237 glycocholate glucuronide (1) 2.43314663492319 0.615706379204864 1.42555381135082 0.346073405198784 7.70227689856159 3.76932233693925 4.2217853806134 0.426113432326174 1 1.15832056796787 0.638058020364512 1.69553773410416 5.27339855921312 0.222117359158102 0.232081458049768 0.81425800423984 3.51951322460246 1.24142428280778 0.511071484465775 0.22373456892586 0.570291714289779 0.136979090094235 7.60163997401082 5.08953461350584 0.35921975556894 20.4789855835 0.756301518818619 0.793349468588867 0.445304991406223 2.12909607492371 6.30939001718756 7.29420884632923 8.5175769055386 0.329264442807534 0.90235364270932 0.919435967589182 6.11775930407941 79.3437510961451 0.257644954224982 0.473604826546003 1 0.353958399102038 0.839594514013119 0.244252692132309 0.468588866673682 0.822126346066155 0.411042127047599 4.24592935564208 0.246574765863412 0.115879196043355 10.5810515977411 6.2925883054474 0.512259286541092 4.33330527201936 2.6235364270932 0.978652355396541 0.43081833806868 0.648440843242485 0.255224665894981 5.29897225437581 2.03355431618086 0.723645164684836 0.517780350064892 0.632670384790768 0.416268546774703 4.3482829983514 0.540888842120032 2.07675470903925 0.25015959872321 0.285095934617138 4.34727980637693 4.19671682626539 17.843621312568 2.99797257006559 0.295008593777404 7.97702479918622 0.295422498158476 0.371433582377495 2.74166754358273 4.73354379318812 0.462941527237013 1.97105475463889 4.2071696657196 1.5164193763373 51.1145603142867 4.94959486477954 22.4190045248869 2.95241502683363 2.45600336735768 0.781191904310919 35.1861938335263 0.420056824160791 2.02761934827598 0.261089480514925 1.83045354098706 1.54762355747308 0.628285804482795 14.6220491774527 0.690287277701778 3.38246167876811 0.241727173874917 17.7353046406398 0.741295731172612 27.9435967589182 0.419509628538356 36.8129222350836 glycochenodeoxycholate glucuronide (1) 1.22727133431915 0.612542050018326 0.929728203554572 0.412855282561005 0.604480786211231 4.15306921720058 0.847176351229048 1.07601384826159 0.736180238238151 2.06430910078235 5.46082080328253 0.764744218620461 2.3573658066596 0.212989548427851 1.53368148753178 0.117503063476375 1.37473170321114 2.26803038184052 0.561308140164412 1.07027179644543 3.71218930588306 1.92430690251587 0.206311394661154 0.65464048741043 0.0523068927094778 0.0355587989293053 2.48975211480998 0.108840749486288 0.639643243415518 4.96643394188813 1.08281294754438 0.578332855952665 1.66478928716919 2.15555432067641 1.13981097359915 0.52497667917118 1.07576796669658 0.510126966388005 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2.19327169883221 3.22179952128584 3.27800320639688 1.19131758020323 1.47958921167416 0.971488857482138 1.60213926591603 0.388955572991078 3.47477769174067 0.0461232300823925 1.29820004246968 0.646672128276405 8.18045958355333 0.326225542242258 2.84291028953161 1.76071284913191 1.74556425977332 0.230261381008867 0.37795066459921 1.0224030783463 0.810465248316129 0.043474969511002 14-HDoHE/17-HDoHE 0.933046886506941 2.90875355642596 1.12054092997248 2.74417392614097 2.48594724393233 0.196165424708405 0.488883023993421 0.640594540448785 0.468285244522821 2.92160767448231 0.581615685396344 1.7068272048508 0.568532969709814 0.518793990881421 2.98815024529259 1 1.40277302921185 0.444733690425491 0.069063809396229 0.401390779984445 0.822509602100166 1.41650021693449 0.306082229833257 1.60269531934689 2.23284967939682 1.03898889202128 2.12841521860398 0.342533888099127 0.565105338187867 1.47972845533982 0.340933704687851 1.54607508532423 1.83064847749313 4.65871040883624 0.311455976366433 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1.27365199133812 1.196769201097 15.9228835711273 1.2764101816266 2.57433393389438 1.4328053727477 3.81568891251409 1.02348146649795 3.41573093610689 4.45528172271642 2.45533190014065 0.806034462482183 0.592248842391142 0.400211999617397 0.985881327255593 4.39841658865645 1.89998384914157 0.606621538345744 1.15510312244703 sulfamethoxazole 9.00051304281918 2.29240389865521 0.0455402892273995 0.0265449978017249 0.0109381960574801 0.00579836348017348 55.6501854623202 1.9544597107726 1.07510399809515 24.6608795837926 4.62342209909939 14.0998407875474 20.7347079227618 0.0063740482696059 4.94938364820377 0.0106712539568105 12.5621597285969 0.0068963835317456 0.0144635692748935 1.12958915476316 2.9267855263737 0.154849651131267 4.6979577188541 0.0716579962088339 0.000145003391268137 4.84605727146727 0.253760547500606 0.00767388345402739 4.48064474290946 0.941027687438994 0.000243079278882989 10.8622033726052 7.39120269509298 0.024824532921463 0.635691906877742 8.82582189992891 1.05897231256101 0.201692138734881 0.112831439065449 0.864550621621277 0.0654294067830765 4.43908718935287 furaneol sulfate 0.734199626924658 9.15901229883967 0.682550823611243 2.03242593822125 0.239160264314395 1.35533845521515 0.532599829270606 7.67911726580037 0.754396281893199 1.2456037181068 0.523797780517879 12.9270479623131 0.979433684349375 3.07483456811836 0.718084287818498 0.209741244751248 2.24452041242553 0.479939323323147 0.456075362191395 0.964495350319872 2.13698419328599 2.4250665025172 0.464660232593928 0.404401257502144 1.09332336711588 0.557477960736035 0.437399696616616 0.556796447336602 0.393200255017917 0.479147888407677 0.550519928770858 0.834733000637545 1.37097412447513 0.689152944797415 0.660661287840482 0.45992261525271 0.927737595356915 1.98337986677512 0.200782641194187 1.60837162266142 2.51409193835601 22.3806801943412 0.393859784114143 0.51920328885176 1.85001209136676 1.98982126761492 3.51094818299734 2.51953305339987 3.70206872293183 0.370523446259371 0.541242552817289 0.589091388748434 4.06355662057291 1.35208960801987 4.71234638468134 5.95683382065205 28.6372480049245 1.41118341504166 0.370336579682107 2.51172862576121 1.47319014223844 0.569283531558467 6.86028975311628 2.93041968034823 12.3067249983512 0.391958141886693 0.718436036669818 0.295029349044782 0.982016839976257 0.531690373073626 2.45097500384725 3.42736386220239 10.9610548068679 0.89057313078462 1.12561830852771 0.85834414228241 1.22030470244246 3.05289423351727 0.865533009431266 3.62271638050432 0.66946600127509 0.949546024138765 1.89249675731528 2.04733220480577 0.842570404731022 1.47038714357948 7.88590146635302 1.24312440917185 8.82115769340691 1.23622133796469 0.338855057488953 0.655066282674171 0.47652076417438 0.260030338338426 0.882988546178029 3.27359465341746 5.53849451491635 17.776243761954 1.83103963769868 3.64398619385759 1.67176336096027 1.19293424494911 0.408182557653835 0.888715457163585 1.08875063204872 26.2401125596324 0.314199661441731 0.806856904170422 0.597214588783609 1 1.71818321718293 1.11791281025348 0.96185723393497 0.456778859894036 0.514487655813749 lisinopril 0.416013974034581 0.212980462749481 1.58398602596542 1.79443341411838 0.809135139916846 0.137717099637307 1.11967878591297 0.201836070730005 0.287824727980421 0.275392917170407 14.2094201830173 0.270861714779976 0.298929614012326 0.64485202331456 0.0915027668838892 8.88839481418139 0.290649603396927 2.13936838380562 6.74458172382272 1.06545179331427 1.79206204110518 4.0552885324212 4.97413971043553 1 0.963807389496653 0.105568169531841 1.38793186486991 1.08564070808638 0.276344371381673 1.90706415435575 2.81127001444874 hexadecadienoate (16:2n6) 1.30569385569853 2.37170916117496 0.998114635563533 1.82491311727945 1.15756752433046 3.56621778083213 0.601818633384238 3.58281893572907 0.977813935553902 0.143422320851939 4.03850192585206 1.22531666814284 1.8064722791562 0.510061947369513 1.76056880589875 0.248201911991333 5.99248140147421 1.00188536443647 1.46886609593821 0.814951299995283 0.307767455015642 0.816086293779176 0.362224222962429 0.79363548680217 3.71277620797482 3.79354550189186 5.62747490614224 0.683069385662928 0.344264619820828 1.03566086731232 0.570375217716387 0.890117776733104 0.537927336645091 0.963024466923174 2.10216038617041 0.862665268158942 1.17120123970839 1.39700443678458 1.6356164409595 1.42410852501297 0.489179856370858 0.627446199717965 2.57648731664943 2.38023451232288 1.78954604187582 0.278520316104622 0.181139330865342 3.68794296509704 0.606940862267846 0.804797855685473 0.654675716528944 3.20068925353728 3.82234203893775 1.93374531368576 0.726997479522694 0.730812654804946 1.76490469132523 0.360405058304448 0.634932899900445 1.13909420552927 0.313597391800939 0.314384730042644 2.08800558995619 2.28686142863715 1.08160073924611 0.534952457592535 1.52901690206046 1.09638979760332 1.16103246951384 0.887629572504847 0.345728349078701 2.15339345521034 0.415511468862047 0.519798627876145 1.69299152144144 1.27408163109028 0.715341676346299 0.614055412939233 0.416652734815414 1.0395115126838 1.21059196310209 2.61214816066865 0.931556294265069 0.571862780459904 0.639510484214137 3.51071405474779 0.390420386415056 0.598284948586858 0.645723670659644 1.81268873326578 1.14656022452834 2.29411046289575 1.64217371758078 0.511360481466893 1.26283509176493 0.204174032940877 0.568007360712649 0.763702443828369 0.428270752910779 0.686736804943854 0.955808838567657 1.91500626108854 0.526652595636639 1.43959839601213 0.544790552432976 0.184475820594423 1.64891801917414 2.38007185761016 0.218224717155472 1.62564956383105 0.801821665708345 1.99992554773975 1.00969248813026 0.681508825359647 0.847768883192061 0.976078634107329 2.78143504942999 0.892256568078348 0.944269520759409 1.60714001647452 0.802239872773831 0.685745561412802 1.93218941795269 1.62727711706986 1.59610945577801 0.287955295553954 2.49625941671573 0.357205287966195 0.658800885981897 4.28742406861592 0.333332047746257 0.738579165809376 1.77111832493146 0.520656282141424 5.38619019008746 0.327107794072873 1.49249695050361 0.747525063218745 0.359484242587151 0.702481445764519 2.0044556212267 0.624821478068527 0.50505093188574 1.22198092311748 2.61174090904086 0.949163135913551 0.693805968801932 1.52271372451959 0.921560016319131 0.841476325718354 1.06745861066381 0.631417881253005 0.978162403073023 2.68026415348926 0.214218380664457 3.08729667252615 4.47959619598138 1.08179279477631 1.20552797971277 0.487812886042935 1.51125075940467 0.885889111183663 0.90855468208298 5.06613713893938 0.309863935140679 1.67465703750767 0.248682622590929 0.805459765344586 1.18770482406489 0.587138237892746 0.44964436469333 3.5838860938549 0.824334419430833 2.04084075382578 1.56958388173404 0.116614709385496 0.634422130565453 0.701752685577429 1.83999896258712 1.08027636097698 3.33170633904542 1.9333246472363 0.584250921109167 0.804962969782164 0.692126209548793 1.49977818033422 1.94474524387279 1.52138599254505 1.98018463154432 1.65216451780787 0.678244104926487 3.20938954791995 0.655396092452492 0.654915059305529 2.20627099314788 0.60318057596425 0.747772902049053 0.807613738543673 1.432784896297 2.82831437343923 0.478654810870857 0.300910771369573 1.60551369292769 0.576955046764907 1.45358066463622 1.73150569802935 5.9013405822558 1.33247489653679 2.98988036158981 0.990307511869742 1.10366521434454 0.351399576728839 6.09113560322177 1.45291003534302 0.194108109712448 1.58981622756322 0.841497789433022 3.12283398839584 0.906898175187398 0.736956419548324 0.642167848596298 0.312478819254227 0.60349023476441 0.805722136898367 4.42119722923566 0.524384708243559 0.840539076844514 0.767578321178666 1.19045978127469 3.45831453162234 2.43367502560973 0.959479580936622 0.706208195013946 0.23647211653858 0.476273791815047 0.906217820148492 1.04568400750358 0.22414601943953 2.07796873217471 2.51538347469481 1.05630127990255 1.3532488657908 0.649518723709395 0.951073853679733 2.54190893694861 0.906252922265189 1.66645912819645 2.68514189443776 0.695719257742267 1.82238418383582 1.77922646672769 0.509874342806489 0.13313763344324 0.914700011888886 0.826091537488921 2.28163031892788 3.14941668722209 1.75958247261881 2.68237251629468 6.05807321015956 0.38686847700803 1.21436387558446 1.20302007880202 2.86521061074385 1.57282780919361 2.33104549139302 2.5941114857759 0.428813717817773 1.56272309477253 4.5190897663412 2.25293713328279 0.51152280080907 4.57626731357408 0.788057611516714 4.50852749471107 4.2641275539375 0.708298783180653 0.980857776116576 4.40430383251953 1.1140242514264 0.801344545217703 1.78610782308243 0.332077091179257 0.822746663496297 1.34253791322053 0.760131530090647 1.19078509070013 1.12475208431394 0.627908340324412 1.49883914281749 4-acetamidobenzoate 0.95496204339147 2.16719849630633 1 0.567473935778801 1.4573758001602 0.419209054264374 4.10070785280308 1.71863013877041 1.5677604631324 1.04023104523876 0.631740718792938 0.336806392164779 0.759798909893659 0.959768954761238 2.03413582698957 4-hydroxyphenylacetylglutamine 1.42969003211317 0.108977593695273 6.01947597247595 0.71883081921704 0.653385398489174 4.04547594668938 3.83159148029573 0.425084462125534 0.101283415279787 3.36570822142482 1.60486352458816 2.43125367625319 1.19505893786904 0.241107968805366 0.399454391786 0.365337872954914 0.245588607316361 6.53209960906674 5.16212148763601 0.539539478568917 4.0236365018653 2.66728969386453 0.149896431361269 0.386267674358326 6.55640389412747 8.39771335384106 0.461868556970309 1.47559723692477 0.804941062130957 11.4110623488096 2.73783018477855 0.147512507597034 0.609972377250378 0.501768380599075 7.68847158120124 0.11454215725983 1.02020881244088 7.67152050244093 0.410077957242313 2.33703843171008 1.35052516911656 0.21292884328308 2.14067382133939 0.169601830807232 0.166041305234656 0.90902448099484 0.289042502162989 0.79917268492991 0.575692268380919 5.67780213474634 0.423665559395887 1.17425617852612 1.92568397505727 0.179391314872843 0.233515338165875 3.89722890918138 1.17924898350749 0.927464798203263 0.381858242442989 3.42494990384228 2.09959048912678 0.721674937575929 0.172140260275876 0.331810275652147 5.22246280332271 0.0820030393910459 1.46678075590283 0.129508093835595 3.17032581554752 0.629727754840387 81.7162865186421 2.07798974317594 0.194967073263669 0.38734752612397 3.35523667352547 0.467300769710092 32.8824152399909 15.9770454249992 1.77035002308682 0.804906285442752 0.307046859520063 0.181556544777223 0.504424600239386 12.7357164310915 0.210669472948075 1.23004222870745 10.4453301863532 3.17681029806654 0.278763263714243 0.468958313720744 0.0814426796849434 1.20175415002398 1.75540635044448 0.231071049127856 0.317587225591852 0.132040919707178 1.14253309484424 0.124981508129699 0.481439765814472 4.23562901497729 1.18216173325981 1.73916264328398 3.26749106786629 0.619204199559782 1.13755149705699 0.178581034737819 0.700059622272729 1.09491148558082 0.402198179055099 1.25384070542563 1.04877258809975 6.13959568926485 0.288625594541648 0.998710051956552 7.21572727965536 1.5686563919111 0.333161863263266 0.73996731982194 0.355710737836832 0.401068493887596 0.198609411353336 2.53208843821026 0.3657624702449 1.19737661999991 0.333734550882903 0.100499392570079 0.385390750030259 0.513782607331298 1.28810558073439 2.37310654455308 0.0681744825638474 0.197042645615073 2.00835160105975 0.773761492977572 0.24818555527164 20.3175782598366 32.9216067978357 0.420220467922769 0.353962415553792 2.15338390019321 0.143976581447163 0.999980947769992 0.413563394614271 1.06729247638644 0.257109843951029 1.96485648067207 1.89953871188994 2.45840561973542 0.181654047366085 1.32636357930883 0.443435049827185 0.978665985269264 0.781159361817538 0.13894343056695 2.14183264521161 1.26710890254672 1.1964296120966 0.360584746560512 0.882287477977864 0.951021199528401 3.7147208736232 0.343808697679214 1.03997942359159 4.95863088433727 0.92720927417728 18.0020441922079 0.311733708101905 59.1595557019962 0.381998332369515 0.146413025449296 0.391994028806972 0.258212631852639 0.0927888430141076 0.497042421471191 1.06918985435131 9.15617785368784 13.6257637702794 1.75303827032649 5.99581859587306 0.1668717583191 2.12179754427962 0.0873802511308059 18.2794726791022 1.48503167153059 0.250291387047173 0.924667482550399 1.80913363906559 5.11542177154359 0.185163019845699 0.309117948993818 3.6415468617615 0.279273191046797 0.159615100125072 0.745257115447548 0.103487230523017 0.220788448520875 0.364900637016914 1.65154255819896 10.9008309013722 32.3694899830099 1.05388082718058 3.51785754311408 6.11435820882141 25.303256586468 0.877490798893626 25.5291118074514 5.84944703704202 0.393410618143999 1.03422340869051 5.23843305494663 0.756639141797903 0.27070080826284 1.01883929331917 0.180297976877317 0.766186550470478 2.3156909683464 8.66612087631292 1.46258254098471 2.00221454155852 7.7759031877743 1.04006683970574 11.2175708630884 2.20420964625613 0.769101541661624 0.705385280919528 0.442156308977859 6.66801265068073 2.487879419557 0.596762914049787 2.75072174330146 0.42688426554774 5.11367120782173 2.22776268542303 0.234552003622165 0.364013027242448 0.127762012991379 4.19730601467694 1.62993845008988 33.5726506358962 1.11352887645638 1.00001905223001 1.40251646336817 0.97681903967795 11.3183201760874 0.136022835778743 0.236681370505355 9.80558207924831 3.51824867418894 1.26067597312067 0.256761300213833 0.694498612549368 18.1005610321378 6.1108593228165 14.7838356397739 1.01117917613675 21.2371016402849 0.677245137198471 0.461676999699647 0.228925992172896 1.10905496456285 0.163083726705847 0.262705595976169 0.214769064557921 0.740019993634314 0.536416656580192 0.0872132639383873 13.8794105912467 0.825772960178598 3.85034921616884 1.30302683898848 1.92971071990532 14.1002674036518 4.98371594694066 8.36635308937513 0.989477565438806 0.722764276844592 10.7653045442931 0.285965006657073 8.35326420735999 20.7046848312869 2.56825629508094 1.46869494465888 1.46005980158784 0.830140403727961 0.692270622357904 0.107819931770602 0.173440294794034 3.790108306324 indolepropionylglycine 1 4.6267078853395 0.0951969876668028 2.33004750516854 0.299887880025146 0.13243378116514 4.83275199450418 0.208434273715319 0.115684482725099 0.893991535914037 1.35175211764172 1.04617398686965 0.203405077155393 0.283317455070999 2.537771469679 1.1042275063351 0.953826013130351 3.0060492939034 3.89749253073578 12.2288491824315 0.0722571111932028 1.06760769674463 3.39415550327611 0.152382063396393 0.140729363119657 2,3-dihydroxy-2-methylbutyrate 1.36286321757619 0.415765082388377 0.85515868621545 0.704052422927002 3.17414787827782 0.460660657335223 1.18865720233877 0.554621057760454 3.04926138377038 0.463661631821403 0.781294294826364 4.06753576807229 1.39262934089298 1.85781360737066 0.459550518249469 2.84767839741318 0.776230842487597 1.16604746190645 0.570528437278526 2.45190966070163 0.807768758858965 1 2.35107525690999 2.7293830150591 0.754965980330663 0.890655488749431 0.918595208873921 0.335417959819939 0.434227733395369 1.29114075413981 0.955579301865728 5.07167556790943 0.728624244354605 4.89771488266774 0.358500677784433 3.54390923450037 1.14883102567754 1.10270907231041 0.501623530153526 0.36055740296051 1.2580374797942 0.445172294216058 0.67141858596883 2.34234690605266 0.486743797484316 0.960721114805921 0.791106511622345 0.528239206269316 0.630123196968396 0.700508419854573 1.05156488304821 0.531441696950459 0.903965500935419 0.426735687986529 0.899875965992288 0.509119923818552 2.60414236625579 0.864650742627804 1.36115637525016 4.37456965852057 0.737618612275779 0.651886219180376 1.61446403937781 0.355387326355107 1.07530636182492 0.979399049253785 0.946689292093022 0.68755931293204 0.875621392985611 0.246543951629998 3.69355664527687 1.75568452966543 0.421726496860016 0.50976998811839 0.46980081725475 1.02308380502854 0.913116406079297 1.30490298496917 0.398317659681556 1.35712554176554 0.466963580093248 0.559905381945388 0.889651041570416 1.05881994849491 1.07661953519315 0.824127169100422 0.280621235361324 1.13212719953822 1.31273854261672 1.40395191263484 1.667943242212 1.9973519119826 0.862276594750133 1.10767695500316 0.389449391189781 2.06986778040002 1.52943606378457 0.376219821743238 0.442278529724136 1.28427485762179 1.06868831590951 1.10256557985627 2.90910296561943 1.99855637894618 1.64597585195927 0.771635020420498 2.70491102924311 0.526949948310105 0.564225374466387 0.717988409723136 1.00073811648761 8.37846787019151 0.907011454393859 0.912468515907552 1.7649354447016 1.14754394184642 0.628616526199874 1.84085164945663 0.634286652266692 0.450294540003413 0.896795226484359 0.46552213316752 1.81514475888376 0.811978141316152 1.14603074869362 1.24044878352098 2.73017657181308 1.49859388265579 2.02747228258447 0.614206405198775 1.21235470030188 3.37974951870239 1.78012172943193 2.17431071986468 0.392077912054345 0.67172731215805 3.15264444635285 1.60416519460077 0.846577215789823 0.513761687297331 0.883541741628792 1.22419065364074 0.603274889146644 0.436340985901866 4.60243567570271 1.14371965053065 0.359942124710162 3.65656602990078 0.731907177775193 0.415578062612715 0.446509382993318 1.3275008723689 1.58972246167828 0.873477702685809 1.32720084269205 2.02126297275057 0.944182522401672 0.494888081321087 0.276646929207128 4.04103666775735 2.72949824384803 1.09055352214186 0.895679898772596 3.13102056833883 2.0157667769312 1.72059192811463 2.12827355749319 0.844179152503128 0.201361221599093 0.72911124904746 1.61424227831231 0.451035917683162 1.89975530188312 0.553124276422994 8.40933179260123 2.31879240229197 0.999261883512391 1.09418649018544 0.880834952152876 1.58034327308462 1.54970328586849 2.06124953663895 0.603842336578944 1.59674054716282 1.19336151728051 1.12077607676412 1.08362892416533 1.13768861920038 6.04573061031037 4-aminophenol sulfate (2) 18.2833083820075 4.91135454578213 1.04417858815898 2.28569977822257 0.430903390868798 0.78128552288042 0.227939369916236 5.22382485807227 0.388372572978533 0.955821411841015 2.20969193948576 4.83694216768454 0.798416567074758 0.388537049758313 0.527545396658103 2.16742732927437 5.24527840251442 0.461648489182907 0.4703372950524 3.49022117245555 0.362276153462505 0.804163098610105 10.242006769113 0.560882807770365 0.886302113230511 1.94464258267697 1.00717375416012 0.853736343361533 3.04405569618665 0.832406422815487 2.75135272474051 2.17871336664565 0.538555399763489 2.87690440117817 0.309584976207728 0.357244801616055 1.0151160128105 0.288744389133033 0.415149262392527 0.626127270617093 1.31438107157757 2.1725276896873 0.431692497827799 0.301247486676641 7.99240278418198 0.913453847384418 5.93059620264679 6.33937785640572 1.11415585271063 5.12938165187688 0.520951941806958 0.19777855151019 4.66911960752946 0.992826245839881 0.939595547065411 0.633279067506062 0.378179491281395 3.91885847284042 0.68958378424158 1.49606180658154 0.968999469888739 0.59607717667134 0.427432787224632 0.420211981769191 2.2303631418973 0.872588229020612 0.441460346736679 1.12744941201565 1.51547830778448 0.748598655587655 0.442646039378797 2.40343035310429 2.71780201442279 0.903629536921151 3.71237856844866 0.539094921283183 0.510945699668445 11.8506152741052 2.39154833265893 0.879037393232769 0.726239880050565 6.82813416520023 2.72881829103422 0.659652886910643 1.47414844997349 1.13259368697087 3.18189089745641 3.50099905583734 0.774878372401592 0.628573937973846 13.9680804012535 2.9793193873294 2.29498025413973 2.11386413467963 3.5214695060555 0.618003080291467 2.04912782582238 8.38429615967328 0.896396184453625 1.28591190115464 2'-O-methyluridine 0.854108406487853 0.901458226945181 0.973988603295804 0.540674723796091 1.37737600207508 2.70993523494557 1 1.48466389449538 1.21449878008252 1.3404947758351 0.943535247914792 0.787742463665913 0.987095623698012 2.99841127025428 0.721733174460359 0.959495497248093 2.04923846347138 1.57380703418201 0.800213181593431 0.558434452739343 1.16609521030405 1.10475889404956 1.00990929650074 1.57731682999781 1.13944751112516 3.79632241486921 0.848377631333641 0.999015149672932 0.63748186335303 0.919607032560854 1.17114915416353 0.940987924012127 0.705169298612742 2.71726059838919 1.5090085032104 2.99767769463981 0.661969314945439 1.34166981411349 0.817859804211794 1.0484315506875 1.5422659575554 0.983723446607393 2.27433827057154 0.623296550738544 1.86742443575636 0.944979226850954 1.0392546165389 0.781070404132172 0.905020262752264 1.03647805804232 0.963634229249819 1.53347692496147 1.60992415503813 2.34642671212601 1.02940395863745 1.71431050498658 0.992731949817788 0.803828996662005 1.66962016271449 0.839418964302849 0.484769760011433 0.847447505690924 0.602263099333422 0.635678776680992 1.28789951308147 0.972698876106285 0.345033328909895 1.47043271439217 0.293151495972969 1.91294162081602 1.66466420995682 0.944570909424987 0.891494748017109 2.56878617437196 0.976705490848586 0.981207190469871 1.6327542031175 0.689474597552137 2.91224237722405 0.943162214305401 0.800108204117881 1.50793666996723 1.28491879587191 1.33710176291049 2.31313863397405 1.27648193705787 1.11876933127814 1.13624531710952 0.468197176484999 1.14492206241132 0.726738666639446 0.844451476577892 2.86621479538193 0.573655359676613 2.29917417800598 1.77845206863816 0.561870297969642 1.31738003123628 2.18670824699121 0.925344262629768 0.411441054275594 0.894939926298705 1.06937313067178 2.05825158478201 0.764722395190021 0.581316415381317 0.651761379296265 0.839316884946357 0.408297010095648 2.07699845860172 0.557858579259516 0.830002143666486 1.5176240008983 0.469202658146443 0.557389014219654 0.864484550289395 1.26188458907955 0.666593509794514 1.0660351357145 0.95793820115758 0.669431315904985 0.933398323856966 0.774950746710493 0.710227330726907 1.87947490379021 1.61369088329267 0.842027091861213 0.973183753049621 0.801435235752274 1.33392199095577 0.861391545787696 0.723512958974307 1.20611353266029 0.971040086563294 3.25871502506048 0.769627308269449 6.40994048773517 1.11061319069445 0.712452660698427 0.758036197339812 1.88113879730102 1.30377795698376 1.51163704664006 0.697242836581158 0.967186590855731 0.80537039494503 0.684860610638711 1.05266274001409 1.95576901483213 1.60016026458969 1 0.842644671967988 2.09421924604187 0.723288384390025 0.701703704459847 0.887074711881016 1.93414350315936 0.613149862703266 0.983871461674306 0.468768820881353 1.79050253667201 0.708139807886651 0.601941549360473 1.36081990139134 1.67651051927769 1.27416473566551 1.28384696262875 1.85307718220144 0.611434929514204 0.96714065514531 0.549130794279473 1.11796290436185 0.538295070587875 0.816981921745965 0.875396833498362 1.41400835009136 0.707364004777314 0.706608617539275 0.368700427712504 0.423583393730286 1.36332594959321 1.35137245694803 1.34761593662914 1.06076273695171 1.27943203046048 0.837178322427855 0.546747241305391 0.46114349295142 1.24271918989823 2.21569368026704 0.553285424088687 1.47711380827455 1.32486244806713 2.3678276492145 2.00597674632259 0.532951216275533 1.06288088359891 1.74231087247226 0.711130733031859 0.916146912609863 0.615421128385207 1.24441881118381 1.29513693945673 2.28649081796188 1.4431826301767 0.984009268805569 0.513561242509927 0.760149240019191 0.599246654349091 0.994671457591131 1.5209875156947 0.687795392137848 0.67239672121107 1.1862284740157 1.80521217194247 1.23806947521003 0.880985678266284 1.78995641211478 3.07365025570879 1.9987546318508 0.788195543215296 1.78541898471872 1.11723814093076 0.344864897971683 1.28915508916632 1.54652266672111 1.52210528464829 0.900421587742311 0.999652930187928 1.3928421955228 1.11597746087809 0.829440707205782 0.680471198309566 2.09660790298378 3.23994263140165 2.04286312179088 1.11105213192736 0.42149587089003 0.903999469187346 1.37208435838021 1.52617825097231 0.85379684166471 1.72208384798342 1.20955871094189 2.20749670794075 1.25075793922195 0.364744852648449 1.35597623592581 1.92805957351245 1.39783387605525 1.14469748782704 0.77943203046048 0.779850555822096 2.02966936496432 naringenin 7-glucuronide 1.99135275264789 1 0.269192183740689 2.45242170815605 1 2.20474886291388 0.341875743792895 0.486151187623286 1.18892747102264 0.572365954255718 0.318335208098988 1.49669063106242 0.270129277318596 2.93294044766143 0.234076718671036 0.250656167979003 0.434146818604196 1.47299522342316 0.201309075495998 13.7301804665721 2.95686408764122 2.45529906587764 0.34643223944833 11.1399797851356 2.19599452242383 0.452601033566456 4.06880389951256 5.13282307102917 0.553748716193085 0.477347940203127 1.33583573792406 0.74944979703624 ferulylglycine (2) 1.19245928244363 0.807540717556367 1.55388103606679 0.672533104070262 1.91712814288484 1.51274854392664 66.9275545553392 0.804224509233739 2.25640377272612 2.14386257701806 1.6543016326565 0.5608347872995 0.910359825018333 0.586997749513238 0.507480550568522 0.85238661171096 0.43396464965737 1.08964017498167 perfluorooctanesulfonate (PFOS) 0.977159543270209 1.64169909161427 0.251056477350909 0.327494928762555 2.21584564646141 2.23682715406226 0.251038102923935 2.18089623355567 3.43522565571126 1.86608425301168 0.151313823728693 0.248813962058896 0.92842137572258 0.817506235299154 0.239369506594436 0.465544086618719 0.183180091308374 1.05671037205083 1.09190408131519 0.61298090625597 0.941749934488904 0.50043754104231 1.61014184848823 1.36215765884744 2.66456376917961 2.6718308550477 4.67825898128418 1.05146697875352 0.673150472984894 0.0180010920256031 0.707668922057978 1.34627964833852 1.02284045672979 1.18278190912384 0.691562318967474 0.597692150276977 1.26915801358768 0.908288731670218 1.16247697800783 0.879230370601896 2.91386695146572 1.29150092698834 2.25389350375122 0.306134209178661 0.632570532053638 0.252361758600222 0.816935837745988 2.05795382467958 1.10637051230232 2.20285976666976 0.43561732536629 1.1117166032215 0.228706502561053 1.39570744838441 2.06940195252965 3.98907721644898 0.946909173468484 3.14447171845618 0.877046017513513 0.892607306154572 0.871601170010985 0.738272655727424 1.29211077434324 4.97885183763603 0.735963075218919 0.503202971249617 0.0881086892557928 0.33492989809746 0.792736911443852 1.76158328183398 0.988584960695898 1.4957320866248 0.573554310521241 1.14996441708672 0.0837532184974135 2.8549611947714 0.480563279044362 2.06342717923709 0.183931591212904 1.23926327588822 0.688426542918899 0.206788140657882 0.663609624389007 0.228103272915345 0.511773413709654 1.302864042728 1.34604510426964 7.90848675389147 2.06270432177135 3.05816100988279 0.839585201987756 0.310267732151784 0.771912507775808 1.0173434886323 1.28276402368936 1.33384713906251 0.793802362623993 0.454810718245432 2.08084142645231 0.686835238385157 1.11621613641848 0.849629357379713 2.46320502783001 2.90978127962061 0.367650906677065 5.14293691897786 2.41575147142219 0.686183648556881 3.79990490860944 0.360965493228047 2.01453656182519 0.179393878924429 1.85091319296324 1.63946923936051 0.756347146698323 4.63380091690906 2.22349582015306 1.14150036702833 1.51024625004963 1.85836829689691 0.253421610180277 0.826252554181221 0.522005410231793 1.8023524429019 2.51377450715883 0.957433876358794 2.63440261939111 1.2218785538371 0.827654999475674 0.924672143414921 1.43874393843291 0.342152364100251 0.397278899790575 1.04106746703617 0.716979921870307 1.17909302768341 42.148545172992 0.533632216230085 0.286233230470377 0.901680185458755 0.598035253045928 1.16970555266526 1.0632754809802 1.11882707722256 0.162586424736793 1.17407731316934 2.64940751140537 3.56244877638557 2.89208807051016 1.1053834555234 0.476476080035593 0.874503290019578 0.70127100740878 1.2294064525719 1.01869502847142 0.861527489454935 1.04076661579515 5.83170910993848 1.43968670746569 2.5805818086301 1.4900327118456 0.723993675506229 1.02109522069042 0.901099863267947 0.617946412845279 0.117691376514056 1.34742871454562 5.97933340324349 0.535725957607973 1.38026324229062 1.4800272445997 0.524803174056951 1.08178165021233 0.948589053494507 1.32290501143846 1.34569640190061 2.03237790581065 0.522898291918352 0.69342393146904 0.814101931047543 0.300288735742655 0.930904498311466 1.29113389865538 3.04627254984408 4.25325514934133 3.82098282144504 0.6087218352842 1.09127093614114 0.808691699254642 0.875022016609432 0.299419270565549 0.887207255452738 1.85284709121138 3.34474446988586 0.598338140505165 0.155879121941982 0.308442771578059 0.231605568242326 0.861068831302375 3.26398754648941 2.34018232297883 1.75908891452261 0.992797387124789 0.942278304196748 1.6691934437846 0.22600240477371 2.01277268779786 0.321533109417204 0.293498457055649 1.00720261287521 0.240572564199415 2.27044337633487 0.213259751194497 1.21065491904505 1.71506282242243 1.08955542229639 0.902625499764308 0.572770366509097 0.0507232138039305 0.702897436706702 0.136983525976545 0.25590172396415 0.647896637491053 0.841199923030952 1.75962698518549 3.53360676350242 0.452656908430249 1.01356426762831 3.36535354347784 0.617227627815963 1.49173193594465 0.637754234570302 0.279911791026997 1.189195724349 1.01651678403768 0.247469744342622 0.0669355832187112 0.30726176501431 0.414581664058611 1.34793216949888 1.79976288238905 1.84016348796035 2.03803655622559 0.0455201672142397 0.323804001779655 1.16325583147444 0.902276288340716 1.22255254206572 1.23482482923765 0.0546612598285708 1.44658541477256 0.200928922748935 1.68614037891985 2.10378909666233 0.433978678759088 0.596401187929706 1.02044057653483 1.52452319405261 1.33508719595444 4.4025252160173 1.03086041418715 2.62445416625518 1.9567868680215 3.89309548947123 0.22675835078542 0.313710468096024 0.27840957104009 0.294867813804134 0.811015533290641 1.08308890230531 0.728099200478919 0.829677473216095 1.13724772528973 1.01182330105588 0.329012138914879 1.00867479864347 1.96466346912533 0.140182933844288 1.53105334586286 0.248587119087204 0.508210540890825 0.860713511224144 1.02340327403527 0.264709385846044 0.635559191336299 1.01061582365536 1-palmityl-GPE (O-16:0)* 1.35976870512463 3.12141006202921 0.597006126856726 1.77594003769586 0.653209084745465 0.386677286454139 1.21396019335035 0.641780379576949 3.25499119040357 0.773939685165722 1.01538772098044 1.08820786698058 2.00251451992636 0.599165191086692 0.776582929788723 1.19745271378722 0.863451621090079 0.984612279019557 0.950944919726255 1.27429111821535 2.1615977660414 0.496943154150018 0.413245771284007 7.11918956101222 0.725742650698712 1.79207369965167 0.360743627123724 1.44257712622223 2.69231031241059 1.16857637233129 1.82006757769391 3.5366409162954 0.780233978682144 1.33327202292555 0.635750325853464 0.212265714765817 1.41298009455427 1.07193754513127 2.00537487908225 1.14908647492404 3.23150355827441 0.375099345568166 0.332972283154171 3.55834480065035 1.03034865185226 0.823766638963445 1.18880880689947 0.801713058208555 2.06679428314509 2.44324699919615 0.863523032276524 1.188888283354 2.72575854598962 1.12364719720606 4.10144601732133 0.255049025618667 2.42924097715166 1 4.96602268030937 1.52951982596927 1.76266741147458 2.31438387581691 1.85201030014851 1.23313169021441 3.37409794224105 2.60490891998311 1.28841324123148 0.357587276500856 0.50077886925442 2.74354764726987 1.73186914996526 3.17470514235368 0.684685114287142 0.908495351762788 0.475457670840316 0.784073826813993 0.373650603339828 3.62791621819239 0.57651311815651 4.54479520053045 0.402807108374093 0.483284966233861 0.699601709424999 1.03140455331962 0.920414549186842 3.44497958590496 1.15210885095213 1.55884436693598 1.32556507759173 0.584349496573429 0.953129328628327 0.689564968595447 2.7496786880481 0.339187341898624 1.34931264220609 1.5329849993869 0.603750834502773 1.72720047595043 0.541811427351708 0.537967037708172 0.401006398989968 0.62595882665504 0.311940542528986 0.899171628268185 1.60032199317865 0.517941241921786 0.495335867496855 0.553853245591328 1.23235963322752 0.706893106439409 1.44766816082401 0.775392727223184 1.68922435521888 0.541052994899882 0.403538291755794 0.684526161378076 1.0745988709802 0.907525739017489 1.17791144960512 0.371659150464824 0.600662606555218 0.774005295402628 1.88997279634499 3.54906876302846 0.439354923679896 0.222611278390125 0.519601164443597 0.710074435376559 1.64767179403336 2.3668042744708 2.84047031895037 1.21602381568729 1.10591713557775 2.08144974136091 0.783097401801164 1.09988146654495 2.49517464383195 0.719141563460814 0.22268621333297 0.425759908443124 2.55397586640689 0.510202506006149 0.540773691931096 0.938952999895545 0.255884663769182 1.44677348302156 0.317383544286551 0.835027317192801 0.625570527405752 0.845602227157332 1.01617686463116 0.886614348452026 0.959957491450604 0.36014187682512 0.594810868745771 3.81494702326616 1.34293408904088 0.518611114895704 0.876452716051065 0.572119205598776 1.07951278662616 0.437747228542493 0.405784069285302 0.308772838126899 0.525922948712709 0.772595156023634 4.94542465405035 0.607409022167119 1.93230422678493 1.08036659082342 1.02891353415898 0.437195434872452 3.35436734471436 2.40576590323855 2.28234124010518 3.97859131390475 0.723637660031518 0.269638631915019 1.39589265682975 0.948490174439464 2.13111571317629 1.84089040878147 0.83523622673043 2.35211021340563 0.898208827790418 1.9189658069585 0.444427792234923 1.01830456285679 0.735938344437329 1.77455481831683 0.600001816604675 1.91649295384462 0.358695405352626 4.99966846964681 3.49578774790977 0.937047835742605 2.34587925937027 2-hydroxybehenate 0.455654230459546 1.00276761812515 0.818542744324377 0.528996110776032 2.05219032536968 1.41193834287565 0.506733348981344 1.16517168740028 0.99723238187485 0.492376794197955 1.71790944555532 0.893073823947993 0.611358376093009 1.24516001081495 1.76073399074787 0.54571026618455 1.27612524549055 1.1786420992896 0.762295325503386 1.31734388880801 1.15011765719566 0.531875889485428 0.388358622697737 0.643482355877363 1.1718218444251 1.31310407016647 6.41597909504978 1.1076652474515 0.955562867864433 0.622624201134382 0.603418743742034 0.544278176075776 1.2945886603421 0.996601757132968 1.96169530351694 2.5670564308868 0.885527941412184 0.833025292449712 1.64182055708355 6.56177437222781 0.659271794188027 1.8227798006505 0.485758014618585 0.981354424795707 1.36935827731623 0.906240203803442 0.556856592902341 0.742174744997468 0.947671820854959 0.778853123364345 0.778185031624427 1.77504741181827 0.705699205524026 0.839401242281838 0.601308098094591 0.87021573263848 1.90245151370297 0.566097819410973 2.62580621367872 1.00924973723143 0.831331658612213 1.1223402218178 0.437151858245401 0.504799338433148 3.58240720120625 1.17412229624975 4.23011434156084 0.737275405571403 1.19042600422983 1.33196074287262 0.602586124968617 0.83052030303847 0.6811996714861 0.755691191260055 1.681782655998 0.802362576649697 1.12935731276764 1.47937922787886 1.20392401059301 0.727071048932401 2.06553682093297 1.32856638292863 1.52284490767993 0.789986567242512 2.07971142975888 0.620350840362954 2.87699877871128 0.390193945188108 2.19976510405068 1.51332708268025 0.974074919892822 1.58498311330751 2.93569439696564 0.955762681331588 1.61792102900313 0.997521961210962 0.998119130260868 1.37730871086663 0.881903791952544 0.929410646630534 2.79806182472734 0.732264008295118 0.680357109928751 1.56087365406465 2.42122404052239 0.337563635383614 1.65645332648693 2.18890542175596 0.981621094110154 0.564028295316407 0.984968645078746 1.14219999347511 2.49551413985671 2.29369085934187 0.798555446649825 1.06050130994209 0.49841487787822 1.19473952223639 2.08927464528017 0.861347559479314 1.92024034281191 0.920004879481073 1.52765062915518 1.00476033095364 1.26235154107913 1.06357651778103 1.49267439534861 1.46398758569234 1.4541435163186 1.45512224944078 0.370907228866102 1.93687313207365 2.08645759603287 0.888357756743684 1.15735900923839 0.801918600610219 0.470906803329962 1.34584882403088 0.38238961237913 1.23943216457468 1.08193414686387 1.07244752784779 0.549273538886202 0.969779841785663 0.71455035723759 2.09946623583497 0.386961288977337 1.33435934824885 0.651735549147297 0.406361481603363 1.03277904886999 0.707950291705024 0.79773274344568 1.13505098632185 0.939576705016929 0.85136164472555 0.651138380097391 1.1228678866315 3.47144297886646 1.49910140951754 0.94133558772924 1.97917567975852 0.590551962927292 4.84039274148821 0.486419014089502 2.41606086868948 1.02374349816239 1.51067457407379 0.731893791853253 1.33090825015284 1.34388993933273 0.938776697073588 1.23368317132227 1.24816842153043 0.406369992326165 0.542796878834258 0.336417524713011 0.474929538307473 0.710804220751128 2.4478966457823 2.02397186922423 0.942066091436369 0.992780070156725 1.42593472559302 1.27069772323981 1.07566599952056 0.56959147112099 1.31121443759016 0.851404198339558 1.32968696143082 1.43239010883796 1.48934670273322 1.32808269018274 1.57277306299495 0.489533938634852 2.42535883335012 1.00188086973913 1.13240131462298 0.611878415814058 1.34648145442579 0.46466702506266 1.43843555893463 1.28299855459558 1.3244698883535 0.939724224212155 2.25407060779327 0.462600337875695 0.364938375274648 0.609970595452721 1.18658341288495 1.36246317339321 0.587066821940076 1.94886190359337 0.941298707930433 0.727427080836264 1.66015974626698 0.852499244673351 1.4609336546604 0.875534934389419 1.39215424834005 0.890042879858382 1.65934129842424 0.891030123703356 0.907650146880891 0.878137797112879 0.574734784600698 0.792793687313207 0.983442388789676 0.85611630186399 1.92399357156738 2.94094125757277 0.552521798088775 0.972745828681987 0.794826331608966 0.875159044132353 0.716221295814285 0.865082348335374 0.490246002442577 6.71593051278523 0.683080541225232 0.798111470610347 0.596672591075372 0.534796799400845 0.617742303824293 0.879537811013726 1.48794668883237 1.43340430330514 1.83079548307572 0.346640321251417 2.26926650335535 2.83712462393244 0.859133353097123 0.688646553937415 0.957274753082655 0.74581024208751 1.71528227939852 0.996025492451698 0.820761340892747 0.284195729602989 0.865862497925511 2.55729489512662 3.15620722475259 1.24945779603485 2.07347874376058 1.21724471023117 1.26642534039345 1.93346175068405 0.694628173613071 0.57004395788327 4.18539049323894 2.35485884257007 0.550195533856365 1.62553954436427 0.532985433897925 1.10574005699347 1.7870900845824 1.53013150485182 1.58174903864294 0.475485572197171 0.751099656308644 1.07889723727753 1.33387565550296 0.789657485960854 0.939683089051948 0.903054356568079 1.70998151754698 1.53356558150223 1.5917221873125 1.73624702656622 0.64711280821228 2-hydroxynervonate* 0.59389343951666 0.857936024588401 1.01064580746447 0.603228655131629 1.16547891306432 1.31991546125401 0.343956547032989 1.51076658894227 1.12918055638312 0.532348392538053 1.96428386253548 0.849080251118645 0.457247455047234 0.771065270531631 2.33175407215006 0.482745009809408 0.912147430209441 1.86905261734798 0.856570820907914 1.06830024497965 1.21293263414227 0.716710934789698 0.436196390038249 0.350165350441725 0.918214040250485 1.24847563460467 8.02604938290933 1.59709232981899 1.28965111328474 0.48428574493991 1.20786727170067 0.332911879804609 0.98935419253553 1.52943702017221 1.93967980521719 2.27314443411046 1.2560902491502 0.748322658339949 1.64741820506216 5.49099098748987 1.30137835738426 0.938040061576755 0.497143533127197 0.738219357317882 1.01044824401631 1.24835569141173 0.459794865401503 1.14162669146816 1.65189609054761 1.08431858680011 0.980876416360962 2.56624965198687 0.395731847316634 0.656293608512553 0.566778492034833 0.765945996446108 1.04002628966164 0.308966015109405 1.87523416561647 1.03722011078282 1.0595028996819 0.956835490794499 0.15171367026652 0.725480561241994 1.52003646229325 0.789172987123942 1.96820555182563 1.15689030237619 0.658861016576073 1.09696038223228 0.795515026005966 0.49514102945353 0.476184554295255 0.537251744806851 1.33385087736616 2.02868141148994 0.96245095754714 0.898389493959767 3.33670586746634 1.0012543240291 3.8247997379739 1.19546453592731 0.595448711142809 1.78719240186496 1.2259155873661 1.2569132001243 1.13174164189445 0.649686994156799 1.76816068902791 0.899601069307737 0.664208487960495 3.99317482329638 2.63826268116308 1.73099109941369 2.69996224125584 1.2519369427418 0.914201220684703 0.640563337456379 0.888875347488484 0.94700080693965 2.29591041244394 1.77315466768186 1.050545263314 3.20475421296025 1.93755086121493 0.243856198411086 1.91537315634654 1.25122342839137 0.729612104685458 0.996140027268995 1.39772611215357 1.16092981956792 1.47214363805578 4.60995839076554 0.648689939463204 1.80801955930929 0.354582744114012 0.699250592302408 2.2571030042685 0.682592597140937 2.21553947203358 0.522420595102058 3.36795499791931 0.622902691410329 1.90083518486939 0.867606712755445 1.1417149869259 0.886475514254975 0.904512348694929 1.40954184761665 0.269413691734131 1.94531060181282 1.16022469950398 1.22089020786274 0.88739733126979 1.18966439487221 0.906855598219603 0.998745675970904 0.318681624456101 0.713290813681506 1.3774299710537 1.13472814248275 0.591841033355319 1.39955078131376 0.529603928028631 1.33228425479022 0.334820728353584 1.29092747072221 1.13081516138715 0.842472353650667 1.12250295237937 1.08190041049615 1.09445733036507 1.55950142290928 0.330216306771997 0.9447523817622 1.16515494376061 0.869279662960071 3.24045511334074 0.633021226507851 0.582683177709998 2.565519038164 0.547371834401869 5.0865887749425 0.536140279097589 2.6851783482749 0.805023576286265 1.55921912616411 0.956500030234976 1.93775418948734 0.793422672377061 0.500840128171428 1.15044442306147 0.575733019407746 0.379146602637951 0.837630093952274 0.437536948462346 0.449704622158398 0.981857304280604 2.93679242188689 0.926046802499694 0.831522473292567 1.23620014279614 1.29500180865784 0.977819963385366 0.721895890017437 0.431206412861788 1.33780769529113 1.28895947689294 0.708777485653154 0.944914049501729 0.923004650901057 0.954645514722879 1.1064269610802 0.467383611274895 1.51298650525179 0.933427867507691 0.838666011083256 0.68159958414083 1.6616138761908 0.943193531673741 2.01310006129384 1.54042587324285 0.962534278612897 0.750517297904056 1.38684369698678 1.18284885605307 0.365571486909499 0.353130532553743 1.21418876915977 0.46079471819059 0.617775336871266 4.74354693113436 0.570503068033982 0.874301311669442 1.63531830745691 1.74060939721717 2.09197619691255 0.775194945644663 0.948220465674597 1.91973041282635 1.07287002364546 0.477768587243141 0.885437109928 1.08371668536986 0.380618400866663 1.24412061843507 1.15065521292185 0.903328754301878 3.24664387876972 2.57917560956122 0.427198296519465 0.880096478332559 0.488962212808531 1.19327051816221 0.546723919845757 0.647715580433043 0.40021626169157 6.89497550656021 0.574844779538833 0.512399371547753 0.474820638192729 0.593122561090586 0.29429000425466 0.715894286086921 0.951381380881888 2.30233608329122 1.10987452562566 0.254160962308566 2.35220685014193 1.73801804989222 2.78466152449259 0.403938350494727 0.917541524902972 0.459032850729223 4.10496402348721 1.53266861984095 1.259760417737 0.145393083449934 0.409852591665997 1.40358936580699 3.12878685305506 0.838763011726974 1.34719406206829 3.46051879488514 1.42529761243175 1.98249729089949 0.617124002420663 0.415167729502513 7.04640004029258 1.5956061817391 0.649450710537488 1.13785921133813 1.10235915203405 0.911088494899771 1.07728013304011 1.10335340863216 3.83726525339009 0.703864962667965 0.668363970665389 0.770213713870175 1.72425266367032 0.366040323354133 1.25580142351554 1.54952030539036 1.0888182352505 1.20860345965854 1.14107018136478 0.99617609161089 0.576189730771915 N-palmitoylserine 1.88243117234834 0.836477559699496 0.906969890688828 0.563840414454525 1.14542632566054 0.893756734659334 1.086099360878 0.678805299770738 1.50137149023182 1 0.770899924284672 1.12019392796314 0.937126051664755 0.817816224842789 0.5367823856827 0.624219232902466 4.85207401060015 2.87106178280129 2.34732480062386 0.443226349538832 0.38297599023106 1.2136668434869 1.5494696148795 1.80414514976069 2.73652879222716 1.35082627794392 0.558281569249134 0.848476235890537 0.442247913910038 1.01768347433586 0.679877429385579 1.18216852301568 0.855910053127267 0.9953841279265 0.983594443268985 1.09508696471411 2.31526248364444 0.717591788484636 1.18334749148143 0.977394332319631 0.76818848337286 0.732133101329182 0.731181505353254 1.01784979310156 0.440708939002066 0.687570198624607 1.84956362377011 0.842840345564079 0.814121936918871 1.47187054926246 1.1590775834936 0.881529458948213 1.27705022089869 1.72237608462467 0.804856507958563 1.02302462254588 0.436936239911662 0.531689514443943 1.09098162809229 0.812639805133355 0.542851819453611 1.6100435481477 0.926717635999802 1.31310139234071 1.19916672193081 1.03777646547359 0.840461355624259 0.999645256809859 0.469583139908819 1.74503964807791 1.13835510740719 1.53994545165545 1.23447682748007 0.477524334645988 0.828701145178387 0.586698919875408 0.370158202830998 1.34781148715293 1.22575456613434 0.602396042876557 1.98065018005585 0.83537073821321 0.807469186290702 1.90564252202408 1.64992215650175 1.55391412267377 1.00035474319014 1.23046201879402 1.36808342886136 0.688530215803862 1.00445797451112 0.590880047327163 0.832640163034496 1.05825893726519 1.50855541625482 0.927530282120838 0.682549056141005 0.810723981376509 1.32074152905894 1.51275759671489 0.573387102716575 3.07074337119717 0.927709232691532 0.545302389621709 1.14377204644715 1.28583353596854 1.91720272889094 0.988280842920347 1.1908570995481 1.11603470798951 1.56436904660399 1.10658190725518 0.842674026798374 1.68165535593795 0.475063237973732 0.788875169345136 0.504876403051423 0.800976438525742 0.698100913384766 0.893615991022997 1.21436488863485 1.30206540538094 1.38775114923109 0.912450012263377 1.12931915623753 1.52089879503107 0.819814670367786 1.45115228377771 1.03129003361113 1.58097144896277 3.22068289643078 0.911083672023605 1.15620805845999 1.22673142572025 0.851042597604378 0.929500843699308 0.881148399497675 0.587816834617041 1.15500803698593 1.18503173214679 1.01794874224065 0.904723558211042 0.936865186008592 0.510023863584927 0.56582275682828 0.546744520691423 1.51629871271381 1.00194214001724 0.371130851815243 0.88080734076294 1.18250116054708 0.955019195080333 2.32082468844179 0.996975735355264 3.63931986151331 1.24935288315686 1.10037758570417 0.682919589087384 0.829718005480098 1.52629257576188 1.29432631952361 0.752981895465498 1.11400730328859 N-oleoylserine 0.812521246351325 1.97072324004246 0.778048507200495 1.03194121858626 1.3406385964779 0.926716942576454 0.385057001942795 1.75086647131102 0.863884716110764 0.659834283207454 2.1108456570084 0.800325128522621 0.987084117509652 0.563440892888004 4.06896826768409 0.633073850892869 2.33829318920315 1.13712561317682 1.37974517672217 0.439679353389256 1.86359415148482 1.10142984383576 0.617326387636 0.224976783316653 1.01291588249035 0.527274142976787 5.18395589494854 1.58648095852143 2.17559978805874 0.341373554061163 0.501068252301253 0.414592041567834 0.679807277789278 1.08612487442101 2.46628405825726 1.26042946591183 2.54999745438101 0.640498701734315 0.940597232163447 1.68526266295705 0.8103873234164 1.18600688215581 0.527245610304666 0.592955523543981 1.7096556825703 0.959770235424834 0.74880730263217 1.43359977478759 0.612457959851096 1.84542402525254 0.802244337495171 4.08582030325809 0.765317887914898 1.00050912379794 0.810573003860356 0.974864258610931 0.599792756665778 0.753170793065135 1.06679704229022 0.707553300769376 0.577028933205953 0.450314009589497 0.708448759684583 0.841174338962645 0.448235586555538 0.997930561503652 1.50724003989135 0.917812444782529 1.1353101312641 1.40537335246042 0.770439074353038 1.15117682468472 0.646467429553738 1.12062340711635 4.52839862596472 1.03752541875432 0.933379653616127 0.755950010032734 0.710353481658066 1.12492999547778 1.3003530923281 0.645125738603863 0.911095005495542 1.13589113136292 0.836154977284094 0.516844510597262 2.06220893841698 0.662277220902826 0.862419775566251 0.74042772388719 4.11245646242816 2.96867091735124 1.26680482888948 1.67704780073494 1.19184982644868 0.666481984504667 0.919657269838608 0.885366284624162 1.43156327959582 1.40036297531948 2.61233217632455 1.51493080408617 2.55743665152273 1.0731221567682 0.221379006729419 0.924745512972175 0.771307579655413 1.48881275325165 0.815250953109698 1.59678593141204 0.512184530423142 0.846864546116134 0.885126696954541 0.760205686014369 3.80349917791481 1.03200292296957 1.02666910247464 0.672753191756986 0.535607219974424 0.834954044090121 0.93097479238231 3.74863959126344 1.02895117502778 1.5981695502041 0.805125379222358 0.516167675430584 0.987152111216596 1.41078503894797 2.30047887585465 0.666089659695664 1.08839287586064 1.01288083208798 0.804948683316013 0.821348459301542 0.847565340049774 0.708688347354203 1.19760891505719 0.463084032380274 0.797770037765007 1.25280392444603 0.63519782454396 0.82213310891955 0.700817892407167 0.409003105655168 0.645032898381885 1.08441572054494 0.593788090695912 1.38870104550069 1.20856106640472 1.26793688062844 1.32106844121267 0.989589915754986 0.721644050588937 1.59329693597319 8.03727085685535 0.695828479187319 1.13538200756498 0.594120518587511 1.08276556047043 1.70580131593528 1.05597366931511 3.13287232672571 0.666991108302611 3.43507623380163 0.412075817518051 1.43510618226033 1.75534804601281 1.03126918573136 0.548889361409015 1.13153662546757 0.829099120413768 1.03969668201026 0.831183533139467 1.62344604934907 1.13929627111741 0.786967628710988 1.82858999661582 1.14187183856583 0.880969850886624 0.791783340870362 0.883650237940504 0.612131521651238 1.1300332128407 1.09270245906794 0.662259251827605 0.904772885863429 1.03114939189655 1.01471966745231 1.4313236919262 0.94017196404987 0.636671288712126 1.36145094292722 0.956982033919624 1.13990422482907 1.04258970312093 1.99398634949252 1.01170685250684 1.99330352463411 1.16693270880814 1.3015420461386 1.60241624164812 1.35686882874573 1.47602176653979 6.39168391198747 1.12458259335683 0.887956826301934 1.42613961372478 0.783224071373167 1.11930866977931 6.29554336986047 0.383624781750607 0.784236329277314 2.13908962675236 0.801235074436894 5.02350055554391 0.846484200690611 0.907078917183527 1.04417697143216 0.620139739508306 1.0551081588586 1.03893898600509 0.867873389895989 0.719622529626513 0.80805733332934 1.02180547278134 0.824313356713097 4.55850281665254 0.815023344823559 0.376152641304315 0.932112833813008 0.673040696960531 1.07102576465902 0.993734782439422 1 0.586489651310095 2.47375766306187 0.814295597277086 0.812028498953301 0.834783337875516 0.587924182481949 0.496048300874196 1.47359594138488 0.543315953244466 3.50792885444151 1.15409679940822 0.439266023174117 1.23596390611757 1.59489917851378 0.545421329891257 0.594378075332353 1.13494775491379 1.18988820240366 2.60295830875064 1.55991039421156 1.39603542303695 0.552839563111884 0.901265921349358 1.03270072205734 0.943023057318355 0.89488989449158 0.786311757465402 1.85131189223347 5.2510249859991 1.16936152880892 0.897941642433372 6.458681608951 0.775949590754312 1.00847541381283 2.0513526221373 1.06813573839422 0.795122594015699 1.04373672908924 1.84395355593024 2.55133914533089 0.585198872740015 1.08965370597202 1.1795440047678 1.04694420901628 0.579862057399216 2.93782101004172 1.09528701105398 1.42639118077788 0.932927431889718 0.948695295396622 0.625985678647048 hydroxystearate sulfate 0.557400667273279 0.819396420988778 0.397793448589627 2.03848953594177 0.568084622383986 7.32585683955111 0.45368516833485 1.60690779496512 1 1.29077191386109 0.584008189262966 1.14930997876858 0.698104337276312 1.526584774037 1.04750530785563 1.01467242948135 0.751607521989688 1.1816438727372 3.52248120578587 0.531041759902118 0.630549476718167 0.586896809397312 1.00899576693943 4.50690797712259 0.348301643544275 0.398810965720832 0.495214711835736 0.482536059024713 1.98668905686097 0.969834824416261 0.569447238656753 12.1982681814263 0.597522571532976 1.75263488518183 0.445945335627096 1.24869128219446 2.16787718786824 1.57411551205252 12.3531628886635 0.991004233060573 1.25540012892153 0.76732126507335 0.71154833120517 0.811712973037334 0.654050969169688 21.2314223658333 0.668330876707492 0.399911315122825 0.398507137900878 4.10696381574896 1.58630968266416 0.926313542098629 0.615382720408607 4.51979191900115 16.5905345316741 0.397579231315616 1.21181315410229 9.61763679437015 0.669628303614319 0.568552178322296 1.25994112309543 1.94999979471093 1.72401758916731 1.8945060539746 0.401216953592353 0.474620112580525 0.758814086114658 1.5734011060975 2.05192171096121 2.43940893171675 0.370661728780296 3.35016977405885 0.63569812653197 5.95860551242204 0.596684992137429 6.3051170352974 3.26559067823402 1.4793458669152 0.47094133249028 2.76251750089301 0.675327128129119 4.97589495768992 0.779843898193046 2.07277086866016 3.96173411781129 0.649657783124417 3.81739126864538 0.585722555931007 0.468354690239326 3.86132312909808 2.82393177833708 0.951194577083992 2.27991574936668 0.850832857746994 0.383685267224779 1.22475457691976 0.382256455314729 0.496955563128441 1.36567320443917 docosatrienoate (22:3n6)* 1.56302621682159 3.96346468526008 0.292848935853999 0.175178853931618 1.50781932867253 0.464689333945922 1.35902281589984 2.54966500015466 0.577415254205321 0.775922560378055 1.70740394546153 0.708422562264103 0.23876462347315 1.22407743962195 1.06421040292624 3.79736467963843 0.498343822457768 0.664683101749687 0.356543499747355 0.306396397436433 0.410756007306718 0.924675890939155 0.505835694755379 0.809444119326482 0.378583537506427 0.220335107322969 2.33077550846427 1.04754250781689 1.37058282352962 0.981968533514728 1.36492784305298 0.292960490619286 0.770561688395302 1.00074283780916 4.13614889435719 0.631722504566699 3.2043789689429 0.596818451860291 0.499884555989013 1.02601663992214 1.72797261668059 1.65549686658313 0.764045762005955 1.14666140360381 0.782114969802511 0.558491040212701 1.23780134216983 1.22730570550943 0.418469887317765 1.79847471820561 3.47601206656324 1.49923806952749 0.505721582790673 2.81564612680903 0.402073729649663 0.999257162190843 0.948303283849294 1.44298575509708 0.587787622093142 1.54595248857326 0.85007286293155 0.509581408896471 0.783613077852777 0.344134156597137 1.26604871559658 1.06415401296703 0.951658708430166 1.22603848548114 0.28754172634974 1.06810708231247 0.293690895996491 3.41846189504008 0.652936673631789 0.402611432331605 1.16867746452983 2.06891607842023 0.527536948743747 0.318513134420342 0.291633328508366 1.53683196768989 1.71405539714072 0.377042359959754 0.900944598419127 0.447660349511183 0.652732870550854 0.689663409665505 1.37526141408257 1.04222941921894 2.31770058618917 0.786724293948869 3.85045027604439 0.487222124045478 1.05458237240995 2.19519228976091 0.613079628838624 1.22606645845303 2.27565720943409 1.51630602253645 1.24409304076861 1.44745477036854 0.894103208721884 1.58189331730142 1.35650043025095 0.647990785791862 0.891106548605925 0.813557922256451 1.33688960089229 7.36955492781641 0.215370570835113 0.491985077529534 0.803372652379434 4.34731330705354 0.744969083205827 1.09055739032597 0.391634926963903 0.559539804650973 1.23709668968739 1.13318198327483 0.186021595134301 4.77175608989359 1.25158668912793 3.80644834724138 0.471787259776554 2.90851550546272 1.79894581857352 0.56334013268957 2.64093138452002 3.77645288507904 1.17680694298043 0.278604139822234 3.25952035677528 3.90697788003946 0.639996288031031 1.09935022782432 0.603225594470054 0.586670035263705 1.84833454253535 0.551844573287854 1.28921078033935 1.47121181578333 nisinate (24:6n3) 1.29075577537224 1 1.56183847621418 0.35096843764257 1.3415546845838 1.17812512960889 0.393583322964622 0.68322860934843 0.723113412965037 0.844846232010286 1.87902772593422 1.30538032433329 0.599285595786156 1.45671927346845 1.53393504744812 0.675930640288415 1.53930622192574 1.85180987193903 2.3439937026475 1.10503895129669 0.443158908623408 0.289185514444182 0.585360136014918 0.721783855055608 1.1604393670075 0.806047958912572 1.61808810864743 1.45457327129202 1.3454882545657 0.824983610926268 1.46835407637596 0.637669453151925 0.925596484142697 0.70130429883142 0.792550929509298 0.858367146508038 1.13742145788317 0.802176271582374 2.11174017005155 4.52985361287568 0.886514403877774 1.75185831943929 1.45858972534627 0.625540304783307 1 0.81639713460591 2.12476999775447 8.74715257836938 2.48976968107726 0.656536011956415 0.932681828239217 1.26741868592942 1.06948062470132 0.699918321956259 0.519672234976134 1.1454255771545 1.70582332372883 1.8068334828982 0.348095700675057 0.84232353882257 0.768784510618557 0.645998475014168 dexlansoprazole 1.7756128410602 1.17741951681062 0.822580483189382 0.327147710434502 0.577405633598831 0.109983720193954 2.02911044094869 0.0460381521345033 1.01006773901991 1.18390057677521 2.10299424114528 0.989932260980095 heneicosapentaenoate (21:5n3) 0.350684122398148 0.641532493608264 1.91815420220082 13.2551707357392 1.51653864620568 2.23128937081914 0.471657653691884 0.527689474461381 1.35846750639174 0.526355869949414 1.08767263119971 0.576278972018734 13.2336615828029 0.233409391137264 0.86334214002642 5.35761979104119 0.586078419598895 2.86022577158641 6.45517293142789 16.3826077819143 10.6737150234178 0.289323886153477 1.00057343581122 0.912264320883872 1.34575777590969 0.400864657139426 0.597523117569353 0.299039269845082 1.4349345502582 0.283718626155879 10.5310225771586 1.78918578119371 0.252729074096313 0.999426564188784 0.482187462471478 2.23543893358953 1.70776390056443 0.416107241503543 5.85851146871622 0.463177014531044 1.78974120331452 0.928827909211 2.5 1.27085985348865 2.84487210279813 0.704002041551579 0.497333973820103 167.765116488531 0.393569112525519 0.96080521196109 0.937924822865378 4.41668067731476 4.05773087546535 6.82567551339018 0.969718986429687 0.844607902005524 24.2010628077339 1.89271946679476 0.343007685841239 0.393085745166326 2.99050678515672 0.384916536567792 6.13108562507506 0.61359733397382 levetiracetam 0.590711703789753 1.40928829621025 0.527587071155662 1 5.57643083849131 0.195548458382467 2.61624263381172 0.254481802574705 0.0985826787634171 0.503647089327848 0.143301927073955 0.766196572367661 2.64796453431431 3.27381990072949 2.18541985191646 0.416222715701039 1.89472478401014 2.03483106423857 0.375722730792488 2.44416840391795 1.14013041353693 meropenem 1.45761509201063 0.329174297482146 0.48143387956117 2.60909856662426 0.224201063066013 2.7558900343859 3.01773660776139 0.542384907989369 0.632283835149396 0.0748504307794284 0.400732950425481 2.36287819129298 0.587791102437689 2.28410188481446 0.0968243311568359 0.682532445380808 1.30743806112403 0.939895496611254 1.90408414058498 0.100054402542771 1.24743811076729 2.62500930541411 0.591473834060481 0.842378361321163 3.15393038136496 0.677453032885101 0.705790768101094 1 0.279742148566966 1.99724579168111 1.86781108061408 4.83748815441559 2.37240855413884 0.698195089612028 1.23994044534973 0.0862311923524335 3.29743777081885 1.11774812540018 0.894399840450864 1.60202494876222 2.0309286819465 1.67335571525098 1.60283929255758 0.136869351122602 0.0855317619225584 1.6126126915596 0.198840894524143 1.36270666302184 1.01505352137483 0.40433439659853 0.420739725651894 metronidazole 0.338808468405951 1.54010935253489 1 0.411313350938155 1.55844365174483 0.0243083621016305 1.35563563484127 0.339741506893894 4.16630067390375 0.525522039029457 2.10887909651087 1.10055542191862 0.635945384549137 1 1.4779914723351 0.583673398615215 7.52539784768857 1.2473036234002 0.283594241483951 2.61763007400037 0.361443282713196 0.00140273755497675 0.000967837948884783 1.78464474273741 0.631620778426037 2.01394774901279 0.394630362636991 1.5002185227304 0.0136158887512285 2.72117718140261 cephalexin 1 0.594788514466459 11.2039544850817 1.34970081198395 2.77735482192494 0.813859867727403 0.879366296504224 cortolone glucuronide (1) 1.36523092558571 0.770887894692579 12.4837112503302 0.51673649336143 9.80168271081562 3.69244035710521 4.93213721804289 0.830186690167288 9.91677652970211 0.70720523836429 2.45647706261186 0.106996528209629 0.606408420424219 0.552014668936182 4.42988369324582 2.11090540170782 9.41879552208928 0.593188136450482 2.23083319415375 4.21798010738742 0.414421137292667 0.562723797814111 15.2206618315086 0.623773294813162 7.59810028747988 0.766633145115152 0.67579803205987 11.558157522864 1 0.30138599178189 0.986288145571187 0.134248483534759 14.6844034762915 1.77625282123637 0.262018647200637 1.85697443280831 8.01716056830937 1.65630430654671 0.22196850791148 0.0682769246300244 0.73900769395324 0.220662146278852 3.5878951834074 1.88858069276826 2.47380786989744 0.612125968354081 1.5206301782757 0.030781821983891 0.0845649827781397 0.988484308036948 10.8368069493151 0.1946839374004 0.11893298977745 5.436018325117 5.49470484880096 1.12127650880562 0.997364442446778 7.5566254287438 0.171603279484474 1.5350362103735 0.312252878922991 6.74618727481186 1.45673383152141 0.184217420879192 0.175041642530424 0.759939525191027 1.25983496818823 1.06219819681233 0.0784850531558188 1.27262577486354 0.04797363721364 0.461019466831394 2.02817991496031 0.519877848577424 1.82008023247709 2.14443648582712 0.435602500715074 0.327190108667175 3.69728704622862 1.17642131424547 0.493857576536928 0.631763456005538 2.07981665268567 0.718715222778524 0.63518499378667 2.69093310515069 0.774803444852791 3.75102934566545 0.704295970829798 1.41796962318618 1.63233912042323 4.29529541559606 1.09338863237037 1.91491583762177 0.911880079126817 0.69654793638127 1.72684663290397 2.88223636612738 0.265089258029858 0.492453868729284 2.18359849149483 2.44609906235203 0.0590686975562505 2.23913628704863 0.0722272564482828 0.586698185996092 7.22023190022137 0.135293156203355 0.731873781670557 1.65344401152771 0.601008073723503 0.862907742265786 0.208552762828664 0.0841960287567812 1.85348198855401 0.657574614040443 0.403609259664312 1.95657399150565 0.0655151775906701 0.255037364105942 1.35897303390772 6.58940705363173 2.59454116301038 2.42252926995176 0.698580188010316 0.65458812953531 1.69282594744268 4.00107441333907 0.667165014986504 4.21227475176725 0.343755783684781 3.14386442682332 1.30589893784507 0.590592032996748 0.0648914409877873 1.3828697171673 0.671136979288099 0.520267233277489 0.515419153400747 1.00263555755322 0.90090519924719 0.108518150855324 0.511908682077007 1.13314192591596 7.2761049992669 0.330406137856606 1.5704954559767 0.226204869231638 1.31075783396348 1.30446278131242 0.814925692419737 3.14043808182367 0.621179162630606 0.585957874344115 0.731668273078855 0.441305063683627 2.18890325713091 1.02402046913646 0.0632317487939891 7.42303643150555 1.78707387012338 3.2053836040198 15.7371076408335 0.0952418151095685 4.76698570573573 0.957769787112328 0.0862907742265786 1.69377417129562 1.16837523224875 1.16122449470124 0.910752786384034 0.0439091339555477 2.29949331916806 1.01822176179751 0.667520749156934 3.72537922945094 0.637736425015804 0.346250730096313 1.08232481894813 5.31161351885992 3.98720678971544 0.675346900906401 11.0725445328706 0.482596667155401 10.4808228035218 3.86449652798642 4.06935133796909 7.22558113262876 2.14583178100235 5.91132003816932 1.37157155184225 0.635082840393134 0.177136388000221 0.546553104141179 0.0618052066983783 0.665835819065909 3.84089669047041 0.39732261964566 0.340677962027781 0.277374104956002 1.69264327313895 0.616412805468692 3.28554036741571 0.2504632956848 0.8817820839773 13.8761504274819 4.86101249636454 0.467087378407417 5.36473208169387 0.476598460247908 0.320076627063198 0.2436670905031 0.0618340500094943 0.520417458856219 0.355194560151524 4.31609024110604 2.45032941464904 6.11183633343829 0.430392677644751 0.615375648073147 1.98014017849202 0.492759127105261 6.86343172908439 0.54024242802993 0.241448559156429 4.89183397790122 1.81182503647477 3.460205845097 2.18589874555633 1.3780637004526 2.25895644900382 5.89990890320906 0.960598835210953 6.0322564362647 1.17144103585945 0.5560653877863 3.65016548849753 0.45775536545677 0.802816308969549 2.19418278486976 0.61535281378518 0.0450364266983302 15.5235782050327 1.06942104263763 1.94614833634185 0.312079819056295 0.431846861246848 0.0677937991688319 12.0911244324478 0.919009184190981 8.91088378308869 0.674788061753529 0.880050283505712 0.668293509533916 3.87955153458433 1.28073435070101 13.1864840244111 1.60801459471543 0.0717765797120957 2.35647207847304 0.230924356012989 0.678231232017998 4.58725221793045 fluconazole 1.33928607079782 0.000850436475884633 0.660713929202179 1.76529931456045 0.943464892219916 2.98663292047606 1.97353612433465 1.65409438791102 0.000239885102415378 3.81575196737423 0.000860730848305484 5.19884057245006 1.05653510778008 0.00285029418152142 0.00700731156887064 0.00426886395003579 0.498313030922031 2.86958707189488 0.0125986165641836 4.46985644407764 1.90024681927559 0.00169891342386944 5.40533929409133 0.0106832931961601 THC carboxylic acid 1.95591236018634 0.0440572637759746 0.0440876398136607 2.25801547694441 3.84202804386838 1.08538587684036 0.286984194569777 7.14159211164525 3.6805875093016 3.40367163186875 7.33640290139456 0.0790602904005535 2.01321353649388 4.3878380834648 0.656418928757568 0.91461412315964 0.121878254302835 1.56890611239038 0.241091306762322 8.755662047586 1.98090976373699 0.376261426776743 0.103037064783284 0.19270594307876 0.0748084197883705 4.22617059501083 0.183376732406304 0.138622630917747 2.83124974266844 0.218968323865206 0.477541105265431 2.09083377435361 2.1773895683558 0.741112897508227 THC carboxylic acid glucuronide 23.4161626527983 1 0.468896076574627 0.76904499622931 18.1986114221275 0.148829429725325 10.9352629622081 2.47700495432333 0.258339743464995 1.3163248897133 0.21455180120432 5.38521630737495 10.8445211042702 19.8826869086846 23.2919793633024 3.9753062267558 5.51216047214077 0.109855487806752 0.889133572121407 2.24566868001135 0.753549813124604 0.0852272669076398 1.72270333774105 0.347475568948264 0.336266117938911 0.188312426573692 9.54338797053012 3.05241422117156 0.44450123371562 1 0.191649450640621 1.39593923707313 0.174758454972197 3.47805686461085 0.417609408400328 0.236874423216182 2.04758997827554 0.784452622554718 0.696986333360305 3.7144775426884 0.953870609913358 3.72270436199644 morphine-3-glucuronide 0.100528634628756 0.262513701687319 1 1.88565277722954 1.54916059136634 4.10123548095273 0.206333903419859 11.5206254663594 0.239792919921553 0.781132997444516 0.672798948751643 0.447018271383197 0.98981107904833 4.32006946691407 4.44353832236082 1.63829660787512 0.155633621458145 7.95173634268583 7.00151876333045 0.243754911218378 91.9912373959152 0.216879403588244 3.44597494700837 0.317784718599568 0.446846585093668 0.822020747627758 0.196633628061464 0.985446285302993 1.51405516412549 0.469595018456276 2.56952964559988 2.63171970232239 1 4.43531719041991 5.60872694616314 0.164732994803188 0.398153712055679 1.13417283526701 2.12582624026836 11.7496351666348 1.04280271264338 0.468822430153395 2.22232714162138 8.36723036998395 0.317758305324256 4.08437720798473 0.429823229154973 0.797812980804152 0.183948652592793 7.24310778597323 0.448715324322004 1.68314634935519 1.70320723195478 0.383560377445704 0.554091086179914 13.1152081035929 2-butenoylglycine 1.64687437873858 0.971616374374964 1.02838362562504 0.685560563394459 0.512983891870944 1.16531153036034 1.06766622124582 0.682903137322996 0.445023239895616 2.97814418046339 3.67640301275615 0.834225433278725 0.432712512299403 2.63734438580995 2.54918386382185 0.877328902879795 0.65731607788271 0.408062259531305 0.854611169406553 0.379270141074968 0.770560802145272 2.13916287746298 0.842287513116474 1.68550775329369 1.90974116824064 0.56030663402122 0.917237961991372 1.73564183280867 0.622134779060278 1.45328203334499 1.06242858808441 1.09077183164277 1.65972950915238 0.653305351521511 0.482097469977848 0.503060510668066 0.456021919085928 0.824274221755859 1.25695464614667 3.6452022851813 1.24492246706308 0.94900897749796 1.28350239011309 0.449119738836423 0.753177101550659 2.53675527573744 1.9737903695931 0.818135711787338 0.830202868135712 0.590789320275155 0.50680890754343 0.65182464731258 2.96564649644398 0.544158796782092 0.821831642765536 0.705718782791186 1.26587967820916 1.39073685437799 1.91764603008045 0.470584120321791 1 0.930097936341378 1.47581322140609 2.52210563133963 2.42662935758424 0.42142357467646 1.73396875364347 1.11512183747231 1.67000116590883 5.20866270257666 0.776611868951848 0.711933076833392 0.952955578873732 0.733479071936575 1.54132563833508 3.56919085927481 0.607671680074618 1.1550717033928 2.87692666433485 0.97625043721581 1.1731024833858 3.03272706074385 0.47275854028215 1.86055147487467 0.780616765768917 1.23944269558121 1.25027981811822 2.21537250786989 1.33317593564183 0.748618398041273 2.39562784190276 1.91086627025767 3.23555438964673 0.490078115891337 0.587419843768217 0.710901247522444 1.00517663518713 1.77326571062143 1.7691500524659 0.710703043022036 0.884178617232132 0.733409117407019 1.20279818118223 hydroxy-CMPF* 0.565255920777073 0.772089947704175 0.0856366187791326 0.131971592529062 2.4749084985591 1.15033168982103 1.12364716710053 0.126963600954345 1.03748786868742 3.39197499161837 2.98103698227737 0.962512131312578 0.17243227128819 1.60229875023102 0.415859816356306 0.192543363928233 3.4711113628955 0.0486099489300763 0.295032778922674 2.07915568850597 1.09983311028745 10.2353574012384 2.24845745426785 50.4869992263821 6.05130693126317 0.0887771544050247 5.31613926607532 0.423277260742655 20.3581941734409 2.95048567042393 0.366893613148346 0.168331075013072 0.12287912151187 0.704717397300603 0.706640947510074 20.1948436000999 0.524646281892948 4.58299686421008 1.13242252746118 1.20632760996332 0.924023923303456 0.300475530625992 2.42406326717053 1.491182788258 3.2345625547954 0.172090632643802 0.458015071212399 0.527672132208787 0.190165372597583 0.293356801996548 0.228527038165783 1.24376957775939 1.93956335562447 0.246875231947443 0.162828918914243 0.488864011411396 9.84464027707011 0.173707916711545 5.97534897452024 0.344965910352906 1.2083645619465 0.388826788206662 8.1797607334813 19.8151407478014 6.71864558877121 0.203244278536721 1.66291402444231 3.60648096733455 0.864770385285282 1.53876152203285 0.219805535263545 0.248567297266076 2.52749578239326 0.628370109152723 1.01357949386487 0.141413577708044 0.87355550805768 0.063950247029259 0.182779886968697 0.619362874903803 0.388931705185522 2.41896251617703 3.70694790369738 0.141207092164543 0.144095657497406 1.86174955759077 0.986420506135132 6.77249478624003 0.69600584409895 0.228932196286274 4.31767968288285 0.054849257182209 0.811179015711318 0.291697104682032 1.34784610465022 0.580800304482466 2.15704174300586 1.35982561458748 0.662154492483647 0.521166163381407 1.35317008325832 1.41616379995904 0.537302171502428 0.478682599909704 1.59697481936701 1.89734320073799 1.04414828340755 0.685505217108388 19.4632603620864 0.1887355997261 33.1671132149074 0.837417189530848 0.125055458110501 2.27351409933517 11.9124166454135 0.638249047236637 1.02436361992597 0.607791871501256 0.632458522914036 0.231478107230733 14.3627303639224 2.10504645087625 1.34773783925714 0.878562503453052 0.33248413828281 0.737256075000014 1.48237199430993 0.150608323153224 0.234191438886139 1.29334396640871 0.584594057792513 0.187029024612519 7.44210842946538 0.906766196419094 4.497331034833 0.227146375369512 3.88167931902184 1.20859337025146 0.413996817890354 0.220134795995073 7.53024315625989 2.70111440805896 0.364776245010165 1.63097461734601 1.51748793036191 1.40774253819843 2.15012838378184 1.23455250955275 0.519456239853607 0.134760278655031 0.594456253805333 0.800996488071553 0.23127050554916 0.21839362060123 0.532481571165243 3.56088672705346 0.88945489490723 2.31871322673843 3.94274881368475 0.589068655327076 0.873680515521853 2.55509118010953 1.26261222070738 18.2215935884565 1.08810626527365 8.08388558915069 4.98576310081015 0.23038205964307 4.40561015641001 0.103046331449478 0.450621772617003 2.57994534271857 20.4973265702807 1.94056006692364 0.187579280682496 0.421001700436354 0.270503874952355 0.0971497740099437 1.89903749833277 1.77061130324188 5.97436119232566 0.135020338826035 5.19708821899522 3.12993019114423 0.62096676531467 0.785608292459427 0.451769162556023 0.654992234469357 3.94157017187968 3.03910445545577 61.3157973160228 0.294428294546605 2.33861954926996 1.17618072061222 0.0901973499533733 0.263442069364633 14.3088253595499 37.7234109402738 0.335132733929984 3.43979690751624 2.02066529642116 1.14742788771428 0.105029708805158 0.230606403395739 0.263818207895226 0.724864710113829 2.22970233155663 0.164682824253457 4.38365795279071 0.398637641868125 0.975268054509951 0.51788583358493 0.297014386461692 4.0722420367734 4.8819678407137 0.210696732449984 0.446811277235862 0.508140832069772 8.81058969480879 1.04518740795349 4.76399651095238 12.2112815888002 1.36498440476078 2.13428368769787 2.73007149422426 0.967071136502012 0.203623765481533 2.57520063977034 2.1923909519151 0.160153535953319 1.31546693915318 0.295774357062615 0.502867079674958 0.357547018711497 1.47218835053209 3.49487720527956 1.82757117752009 0.178400161170338 0.123934855485233 0.855037661288927 6.08234978316228 2.42369940615874 0.164134800459626 0.246207781379803 0.390152760237358 3.10683171372398 24.7208410323608 49.9396727371556 0.0873645915241591 0.189646368393649 0.398200115743518 0.384568721458257 5.97287338027438 3.14390758823211 2.14017354830897 3.12686304371969 1.0724178285199 7.92478457140019 0.159834320464447 0.499287624874923 4.52096302625213 1.61879531869369 1.92203775560259 2.1758163015314 0.73708977042714 0.702881254628485 0.375384021255733 0.86461189367892 4.8039475571365 1.56594729707633 1.1381918451604 1.82908354460897 0.479853428748257 0.801675100019923 1.63057950446818 4.02856643783976 0.484895024423891 1.06076311476188 2.71036830882201 19.7218773665615 trans-2-hexenoylglycine 3.28733767239084 1.16089398621493 2.18763430538956 0.576886158571703 0.918850129118957 0.733017915642282 0.877755002198428 1.8636045553911 0.817474718074796 1 2.09175186866404 4.8489029533252 3.58289313161464 3.3034883792939 0.716421330327783 0.276840951454988 1.42890406802123 15.1077849132085 13.9387846097635 0.829501049672094 4.57687996581599 0.266009821710563 0.268938995163458 0.321614575269849 0.851875476068096 2.0013376352343 0.585029632336093 1.02809896261867 0.819910736174686 0.903619920139437 0.42195124408518 0.991950135843557 2.72685202287679 4.82779604324157 0.410875544465676 2.91430605603673 0.475072959240216 1.21580822718282 1.83227266773909 3.4100057427066 5.29141045575597 1.93627274833848 0.580114115304145 1.01318135870423 0.88942771074222 0.660726939338884 0.442047358858713 0.477349892030399 0.520779530441382 1.06864717280845 0.58572248958085 0.860284314351057 3.93101363808859 0.808398456521666 0.789544915689679 1.17902803851308 0.589100947378673 2.14484382188878 0.330081371801631 2.37013255241479 0.574902021365555 1.05921704408451 4.9931389768579 0.753980434497883 0.867061379794404 2.39013463456572 0.639583032484913 0.506614187507766 1.49493063414929 3.62051120163617 0.338705506617546 0.693907021886093 0.78217678804711 0.251154418357855 1.00178997813742 0.899502634592587 0.998210021862585 1.05767893904335 2.81413444650048 0.459154579556636 1.26876202694035 0.657187282759455 0.531586565424876 0.696613818093892 0.475838653452844 0.843264409659837 1.91173023383898 1.82110293549698 10.2922332412038 2.71812042220648 3.31880753201307 0.287612209464383 0.618083144988229 1.34203358979612 17.0779228193667 0.915998643243588 0.846253303735446 0.781028246728169 1.193374730076 0.38738753866252 1.68433920253619 14.1878906131935 1.19230007153196 1.24387696502994 0.577299853241943 2.01118316547391 0.984071545392569 0.512981539381198 2.389442823128 0.767863679563689 2.00634048540983 2.67632963807515 1.96832443941445 0.352353670126843 1.64078194842311 1.48024139517546 0.224489453233883 0.717092779973738 1.6488284542716 0.776440798068301 0.909033512555034 1.49347312849894 2.38298815524786 0.913976941857614 4.25494930634149 2.11545191070931 1.94837609019072 0.851613163223841 0.447877381460125 2.98934408887426 0.43676138214522 1.32284421816912 3.802450893142 0.945209205793753 1.26167599716559 1.39700909093962 0.763867293103043 0.923655585369867 3.78988410479264 1.53867595350759 10.9664269954226 3.64140659370183 0.922822724998237 0.699763910951106 1.21025358583331 2-hydroxyarachidate* 1.03163910397821 1.13168865846681 0.968360896021793 0.849093954091119 0.964178810709692 1.81081507118341 0.570097828747003 1.37961089711043 0.913709871968271 0.748563660099753 2.60420420629647 0.716667639177134 0.822231763469197 0.901210644896367 1.65421766177712 0.707904594110419 1.35095812602168 1.35015689351707 1.10847904298003 1.18240319238899 0.81276502724626 0.764598761050694 0.787080300044155 0.53237545406804 1.33853379677086 0.681127752168336 5.45902871460534 1.50836547698155 1.53686845242813 0.675533059114412 0.945799233777872 0.525645101029323 1.29475689125272 1.6848944158449 1.86555492753636 1.81774399053849 1.0850722990858 0.826184558116401 1.46141381057388 3.29614779676622 0.934182764363582 1.08068845185639 0.383357783577637 0.657645871392156 0.955353280676017 0.850246773295307 0.567653980318986 1.01380104953059 1.32989045673233 0.657722595332803 1.03182852992961 1.73061166177441 0.393294856718041 0.666725752919809 0.912829697985467 0.897842073027963 0.964028377275427 0.467209113745888 1.48356586419598 0.913126011135554 0.933899679479124 1.18392183682405 0.295421564983194 0.460952144103434 1.33083760055135 0.917308788727401 1.89760528707321 1.0026945977086 0.609553188871854 1.06267684537613 0.854178213840205 0.694814652156141 0.689510117638966 0.705664475624936 1.05321069849211 1.53694456166158 1.00586144450015 0.909578190293892 1.0726721228853 0.861710388289281 2.42775977998749 1.00643025992219 0.558690507528867 0.924155739016902 1.19922429450352 0.71688469053134 1.10796778123623 0.589673751284795 1.709946465209 0.805204528829021 0.945828929423234 1.68130727012251 2.19739217971392 1.38740695568663 2.50376939429095 1.39288874896324 1.25910336169914 0.668686181886007 1.03993216545385 1.09868947572415 1.49083876463873 1.45079945023328 1.08607235596734 2.38734213718505 1.55168614087838 0.399969839554366 1.67251576478556 0.929182479955871 0.870499247973099 1.20666651674632 1.46361499397453 1.21437594995483 1.29456040489075 2.48397726325704 1.06463198303607 1.05502297088327 0.55815079429121 0.767554239196145 1.21547654165515 0.622178245588043 1.95264545470179 0.780756048293752 1.66458674236762 0.615923921598715 1.25927797480545 1.06939680431559 0.9973054022914 1.15017388555169 0.970994381955587 1.30106077462078 0.693761682212084 1.92864144389165 1.1417157325086 1.41012782473077 1.01584084809057 1.35865928882198 0.780348617712383 0.916615627608449 0.44281619192626 1.18953855841007 1.12159554048709 1.15947335628878 0.553063203330348 1.08513844041394 0.824501922728409 1.33845708155358 0.427283562424847 1.03492923539302 0.841584904961526 0.70499247973099 1.27054316581499 1.1644127906746 1.06940474127497 1.54915160518389 0.542790132242971 0.773342928235336 1.20910845458141 1.07083868526914 1.95604511896841 0.791746091378213 0.77474247873887 1.92054574532678 0.718308051913006 3.85453669983875 0.629281824230743 2.25432663498056 0.8183110944141 1.46689031254423 0.796873367135961 1.73611462027602 1.0856173036297 0.87531169100888 1.08506436212642 0.790410036549698 0.585586217205476 0.776536231558144 0.492147040109424 0.711619840811052 1.0204125366919 1.93452273079024 0.872885627092546 1.32011212277947 1.04601716764313 1.36212509441675 0.779340623871464 1.01547839361234 0.643512792394276 1.07591304796437 0.818782020670488 0.689274654510772 1.17353500265227 0.948799997883478 0.653791154787905 0.569373654850739 1.53379094313565 0.81168902464029 0.996924428241289 0.595002096680102 1.04393503863315 0.729779603866358 1.10452314086648 1.32349591312733 1.08147156518162 0.974946987725492 1.6121604800273 0.80982383918662 0.537197221535087 0.922531307997677 1.05843586341551 1.15144379905206 0.763286800704273 1.95457413583048 0.788859683817995 0.881140064844958 1.37646982566469 0.904739290726854 1.43605522536335 0.814252662519164 1.02282801799573 0.864903691612089 1.15203642535224 0.629472311255799 0.854905768449793 0.760143764790855 0.660016376592849 0.893926506401819 0.883579357026921 1.08469132503568 1.92012773213291 1.26370944379112 0.696978796413024 1.03514617894933 0.58287971405781 1.0405115634884 0.798442239439545 1.26092886235593 0.509372887611332 3.61504953324065 0.73627468229013 0.781888387831583 0.662066757765323 0.934103394769808 0.619752181671709 0.836759233660116 0.857644019434968 1.59933435367356 0.950019643974459 0.463976125626193 2.53023121685493 1.99231702332276 0.702529376670895 0.79274350260663 0.502293119846764 2.02712852715168 1.24714500957065 1.47377165632437 0.580755254597814 0.947831688839445 2.90612032165851 0.944932053013597 0.911472477931946 1.16283333575852 1.42700180036695 2.02340344755059 0.868454158106876 0.531633413011587 2.5948274835738 1.19607861293698 1.01242266425207 0.811109626605746 1.18322603005197 0.87104954382326 1.1822127449048 1.12538147011007 0.791955097975149 0.754886852029944 0.68818729107608 1.06723266005871 0.374791158756384 1.13609636526945 1.63810640023176 0.978105897557665 0.785512932613892 1.27854891217358 1.07433623870141 0.674469579618947 3-hydroxyoleate* 1.94982045907142 3.06891111594197 1.06502278597211 0.36926066885526 0.242872710008654 2.85152756476809 0.512486210224128 3.5434301532245 1.39067122523987 0.234536569313645 8.37056546009096 0.371574271912856 0.689513764957723 0.2961133092536 12.7628383751711 0.881850747631437 7.99260020825798 1.49759593325511 1 0.346275538756834 0.848562715081055 0.889321317059368 1.42761901566623 1.529200927586 0.936320764472543 2.28089871115672 0.113054178173786 1.72533615953842 0.243473094751252 0.539519149883393 1.63962913105377 2.73956936833673 0.938133102187505 1.57493490730713 0.892346660339551 1.03380772169659 1.1254188756043 4.13691209772321 0.373565734434268 0.5838869040539 0.699577216654513 1.46337652503103 0.474432163169835 0.0842401057342391 5.29127150736679 2.15877261430065 3.29467274717423 1.81751502534271 2.41283163126035 0.251903895099412 1.41013824789133 2.48767966527732 0.667444686001319 0.135987317537548 0.516191748967952 1.0544403875898 0.960575302535974 0.166605326028089 0.1876162072969 1.17772718299501 0.767031783584415 0.458707993858048 0.592447815308008 0.980503225728776 0.232095954610834 0.666212683666431 3.03598899895607 0.80015821940685 0.31279055067702 0.111037142535093 0.532517077296055 2.58894652071954 0.572147281468007 0.145625582139267 2.04818239695966 1.48749014242445 1.00284491861831 0.551898643261321 0.0658188165678263 0.842507754764486 0.308868486293637 0.613229317877568 0.281697385767851 0.702874457612789 0.346506520893909 0.471609040717522 1.3211521826992 6.15341428636965 1.06442406952686 0.371619025437371 4.87748520403599 0.662898420940428 2.20179388673591 0.437170475702361 0.674301137074842 1.63087466353466 0.795217547532768 2.71562646021338 2.74517915514324 1.57712178929501 0.306621405371115 0.89825487440115 1.07550191899673 0.269437561353613 1.01083497790595 3.60342270384138 1.41868566628077 2.33374974389505 0.920138640222313 0.757024644821096 2.11962234094559 4.3502126994427 3.07700419378992 0.7174241249514 0.621614406726006 0.642306856388799 0.662307848633308 0.794944784084066 7.76337812341653 1.96915780237354 2.68081902103662 0.88332491586161 1.50741910352992 0.125537612813323 0.964731520016872 3.26533157884576 1.67350837938033 0.84073313168766 0.472790392914295 0.551334849100991 1.04397407626292 1.35823742501341 1.27159745761217 0.644563278525317 0.647660617504065 0.970095245093735 3.64904996739916 0.778403777503907 1.41405719853671 2.88759135966767 1.51130650163025 0.160582733990664 1.04127716399082 0.838799707972892 6.654666320419 3.37989845477638 3.74710718171215 2.53666769004856 1.26133582266307 0.578704398528572 0.161469318990211 2.69233279382633 9.74265785769428 0.398930659338173 0.923774655874866 0.102708516135702 0.224090741798258 1.0997556546001 0.352647227392757 2.40594715654484 1.40810290115273 2.33948213555098 0.577273116961756 0.777611642556993 2.41986722606008 0.805657703460463 0.436269152342953 1.77667129368133 2.48104159102878 0.455711539990464 0.63757916419384 0.479111281052012 2.1267882975762 2.43243863185674 2.33538258810166 0.892722384724749 0.692212603539573 1.63760241343757 1.45832230551125 1.75957707965004 0.119291039222512 0.67025618383177 2.41432996198541 0.601733604768254 1.08225769254162 0.249014346236456 0.649508309632598 5.53430976005327 0.549670452349326 0.316144669249409 2.71159271642711 0.803642699810124 0.758556811499076 0.835524678345675 3.7504623381972 0.864174181673327 1.41525764832654 0.374456678667013 3.81297810149582 0.699382296655783 2.26322689954106 1.16184483579288 8.96497356125065 3.41616187784142 3.18228424234763 0.808932525505147 2.80217695954279 1.71240519446228 15.5343944537268 0.477138001490858 0.997155081381694 1.55882671030882 2.5283423849697 18.4692315979641 0.775975269447318 0.749838137519692 0.676912317760699 0.438629780911167 0.71017866421055 0.909122442764825 0.652319184715449 1.73751105636468 1.97038627580536 2.61745715133244 6.08560143198735 13.9639481035364 2.12942812465165 0.988354412301673 0.37787826156271 1.39474890920568 1.71372624970394 1.48876117027559 0.429336726062257 3.02552372554185 3.28575479396292 2.0291703279036 0.896499141334851 4.35309768148993 1.00332215086227 2.0009150238066 0.556632562932278 1.7881966910929 0.595190603319951 1.38696290354823 3.68468586846616 1.17813612058552 6.99139404333618 0.616102467720397 0.617894942895083 0.561058637706412 2.26814515250155 1.00639603301476 3.45579436542123 0.250071771660874 0.32680942947809 0.438624591347836 1.43194894466078 0.453381841219705 0.421524565005612 4.76413351625506 2.62523796742656 1.43178391654684 0.549016359787029 3.10396563595711 17.8230790675642 0.560315699819881 0.355133650976126 0.234171364778351 2.78076025442146 3.13270232394874 0.435930585231209 0.578627385408733 1.18857876750362 8.0198318124799 1.4073362988574 0.400581978390243 0.395660404109221 0.229927339885884 1.27581719534824 8.14899900588725 0.505538613361133 0.384728900325303 1.7121519437717 0.457282732184696 2.18913965550848 heptadecanedioate (C17-DC) 1.33762534796488 0.894132694188584 1.04187938650702 2.80894444384734 0.790732042862824 3.58987973044142 1 0.535151169914339 0.749809223890543 15.4185681581238 0.610397566664159 1.04975225975645 0.509087391580056 1.34543910749025 1.10205178362227 0.584258552681076 0.6238432518997 1.19682183123569 0.69878870605432 1.61572317580422 0.886168463365613 0.708338259477005 0.623682032652272 4.00588450253114 1.18942724175364 1.90792409500737 0.483648589285792 0.858519739560454 1.62148408787443 4.68250992740922 0.48454455699616 0.783884759415272 0.611215254067737 0.860207290393573 0.686859285226536 0.560684414946133 4.62525498110204 1.78144476967976 1.58254863669379 1.15422387884429 1.12271713081564 0.43835437697624 0.56818270782319 0.649489602860138 1.30211944206438 0.683962612920202 0.620496783649894 0.97241202336475 1.38950673932994 0.442755927087366 2.11892014144112 0.40327245682175 0.732597132033455 0.745166776125505 1.38616643252624 1.06643644065954 0.866957493726051 0.728682709997869 0.675185608844854 0.58504951743875 6.48576237718501 0.879935977452929 1.69326588929145 0.717983289767266 0.902726612415677 0.89057450667409 0.67431573728139 0.456317224761764 0.590068676359936 0.901099952592 0.634927952887756 0.460788364597967 0.799177101500963 10.3608314232404 2.93329389915579 0.60850125478973 8.35736063570214 0.613920554630109 1.20065762290198 5.24110665060304 2.4856840887443 3.85274814173687 0.511788934363841 1.73789030049713 0.531474127845024 3.91434374714573 0.930110169233513 1.63876843584045 1.54683171029798 1.12420461118916 1.03773067906524 4.50673498058012 1.84434518243381 0.882771758749821 0.736694227097369 0.868479768962113 0.808432534936217 0.472853483183208 5.1649754913687 0.80727560575681 2.16982502533501 0.935425084486276 0.812233873668553 0.59414837399258 0.761642143537507 0.817035564698872 0.973438471809637 1.24195912473523 0.875543126057438 0.934268155306869 0.78943453999017 1.33760150313806 1.12294329742214 0.516025208877909 0.831075291733176 2.2983833436993 0.681770536580274 0.980406143032981 2.29919232425332 1.46416781562202 0.829648702369095 1.17902391711864 6.20903883541595 4.65885811959864 1.09160182499054 1.34030680370043 1.4148634954049 0.838791052501098 13.908933146021 26.0855605669823 0.889121821163105 1.34591747528477 0.560266876595671 0.513406895471884 0.76838364815435 9.7163348831545 8.16299653356182 0.767252815121847 0.902178593330695 2.67514211526668 1.21068724202871 0.584536293216307 5.42290110865131 2.44361709993519 1.06518382560815 0.726464537511037 1.46249766222017 1.26655909254999 0.669966379464072 1.20959990257439 0.959555321656757 3.08196364806736 1.2630970037274 1.0768488032742 1.09971772667766 1.91548327889387 0.996925004023156 1.74911164366581 0.761242002618313 0.800351428111639 1.1805461923547 0.511380094729013 0.688581630922194 0.871880966775256 0.955049386958016 4.80624915731192 2.06559701460079 0.94213179424058 0.674498410309718 3.35656470322157 1.39219464246104 1.71584775507896 23.5729539533488 0.719122821515403 2.44584397113766 0.739712681422588 1.05377980941114 0.989096159951983 7.21568900351863 0.727604069259174 0.879248778917793 1.23577433791901 4.25814308517347 10.4109360252959 0.898525132764147 0.990540146747333 0.657005293168464 0.676377332886799 1.31257529825721 1.00307499597684 0.540338119076718 3.75619239819241 12.9153571475172 0.718453020411536 1.01585340924412 1.74528420878657 0.691895841578991 1.04716878552882 0.686189484122669 3.53331390620175 1.81561332469261 1.89346682962261 1.07203841352824 0.704587267689926 6.22912416981633 0.568521957732941 5.55446918262519 0.836277123682688 2.05985586228193 1.46833450041101 0.451567726025252 5.79573675946747 0.70617043393543 2.79041749485689 0.751229780922847 5.43274805474972 1.09950025878679 0.66367720806023 1.41281929723076 8.8557187531261 3.41690769357904 4.86475671867049 9.36922133446997 1.93857836890383 0.707901478346722 0.649933237357504 1.53590612346087 2.6683919119342 1.18947107459584 1.65878418051575 1.17597066793088 7.35736498505996 0.969593639499128 0.672845654339137 1.64517938926318 0.918062448079541 0.782075426563268 3.67847807271256 0.601368307969328 0.840974430125392 0.758493208477768 0.587850503873103 0.524810911668892 dodecenedioate (C12:1-DC)* 8.22756632556193 17.0418160049287 0.868123820631347 0.823800870262667 1.92470639290461 1.13342606835785 1.22911621455113 0.778373623989182 17.6009810797302 1.00031385252031 1.20246587338182 0.697581785704599 15.6756159840052 1.58486998368742 109.730966394532 2.96084980413278 1.24051952278918 0.374050208653805 0.888938829756319 1.47055404656642 1.08979669331184 0.49679366715359 0.7033512474669 0.502210529170848 5.45869739579903 0.631510018094954 0.719001251535359 0.999686147479687 0.683690905638884 0.538113707605693 0.805372690181066 0.702665421589179 3.08677828450537 0.678285667789045 1.74638424189644 0.394327157632539 0.823433015418183 2.34918226979244 3.45761989708726 0.321328407755444 1.2645344345652 0.624771161958807 0.883766662452769 0.391560031651052 0.264014720548369 49.1910440633208 1.71244363912182 4.5861344045997 3.94935831706301 3.54040425322714 0.456753707059215 0.698467545966598 0.55756886210723 0.935344767041703 1.40542375420805 1.02251157651267 3.35795185856287 0.411182747367485 1.18272395694333 0.252281357249542 0.34570346335548 0.485211561061715 1.65541087841033 0.954803608969047 1.66669475931623 0.998482996923855 0.729079169768563 0.543742596416314 3.47416178556881 0.482917328014458 0.381746332738706 0.586167179357521 0.475557053830199 0.355887048820343 0.75743869949761 0.348676602100394 4.64142073893033 0.792680928368426 0.959017506402783 1.50082639210784 0.395085659170611 0.491429400830606 0.981692956704545 8.89952663885494 1.18321089620234 0.551917557437763 11.3743298732553 0.269656661001316 1.17849133107656 0.582060970413758 0.623801965549047 3.15129296419592 1.01071266369821 6.21790531840677 15.8283351827661 2.39849891609194 2.30625201915919 1.04276169473591 1.555887985242 2.82733321159852 0.510775872159716 0.757654076477556 1.13058868147149 0.600925184592118 6.64306415892948 0.444655139316131 0.562096460794367 0.749572757621302 0.76766910604507 0.604043468693083 0.31164112576611 14.3880344041315 0.667855922164632 4.89435290922797 1.20157880690517 1.27351940031557 0.592277330636439 0.633615664461394 3.55074234826458 0.44755336432889 0.697292336793411 0.659156565018096 0.375032189494286 2.86520210320303 0.478689384255943 3.3843261743898 0.784810304383858 0.468547937765417 0.513173111588686 7.50478745569555 0.805341349102674 1.09041151049495 3.16680947096859 3.84830905660201 0.638536560242346 0.747756099616535 1.69524157337566 3.21504923236835 3.53650873915507 1.26951619775353 0.560111246892251 3.30556374924501 0.90917178186994 2.10332476507522 94.7186755252155 1.64873887414025 0.844287125606918 0.34905585286943 1.27070545325149 0.915609680727038 0.659545180003652 8.13493836004476 0.525870989189012 4.43592300741178 0.332940036239518 0.814892849952477 2.38429339963199 0.934455166472359 0.468491752466301 9.32440455288207 2.06763305381147 0.724457928916232 2.34953342791192 2.37329512732993 4.36878625707584 32.3634814284176 2.01271660603337 1.64123345459994 4.0275869818662 1.04757021991863 0.664658042223252 0.58282415406009 2.11796571760332 2.26648687370949 0.814438685451285 2.04241990083295 0.70322925006672 1.72532880105254 0.867355873002496 13.1770071027582 0.884937189517696 0.643822660467555 4.69012871115606 7.24571704146943 0.46322438067413 0.495273411711826 6.82098895490662 2.71790297735264 0.870492885536499 52.7474985836623 3.68098455372485 1.95797339626087 0.647343605878855 1.39224361945697 0.459970315433634 28.4045528820717 0.73376596013653 0.482327382373735 1.00151700307615 2.29683161734066 45.1203489107075 0.855374357965905 1.75662869476868 0.477804465794858 0.745134118991099 2.46085055178646 0.748875123490605 1.38681705598397 0.418163770782708 2.32311697311065 0.724809087035711 15.3747512629987 22.508022792503 0.615013648345577 1.07814438685451 14.7160207698322 0.488629500091301 0.466057056171253 0.294200272498701 1.14469119154973 0.387641107037677 11.0640559231011 10.7008226464212 2.22881931276015 0.981271566961171 0.944507652905951 2.64629949573694 1.3332677838177 10.0307848618076 0.5861812256823 0.792034797428586 4.72656019552484 1.08028879243746 0.342065465237687 0.958867678938472 0.58874233890036 6.33463964153779 1.11140140182321 2.449899100567 0.688653847054252 0.60488624817983 1.86194335585427 1.42545381334307 0.488268977755304 1.24324488830831 6.4908488194064 15.763881280463 0.813127695138567 17.429527247529 0.61416150464231 0.421848589983098 0.755575220410246 1.26256326698786 4.36889394556581 0.891281446209599 0.881275780858605 1.97594332776163 19.8703430580722 1.0923686317475 0.454281553898089 1.86333394200741 0.444102650541486 0.392768015582056 6.29601224839521 0.65669845818175 0.884534528207361 0.503649703388442 1.68103605691571 hexadecenedioate (C16:1-DC)* 4.92044078706156 7.82694097038335 1.04214119851713 0.532983256609769 0.775026683505113 4.50385627571597 0.65404978205076 11.3333303458671 0.700797653481077 0.64048478429136 16.0031889843973 0.506351081598566 0.503749541695523 0.476582881818552 99.3636591029454 0.78495376217053 200.961264512975 6.93116959302563 0.965749786124577 0.325691123151505 3.58201979875341 2.21784902432069 0.489509104982279 0.479419073613884 2.06782335926997 0.401268586792683 2.17139854157331 0.367311687782621 1.2031352100053 1.09379313154357 4.38579215382735 0.338429135943292 0.473519371002567 0.94495376217053 12.5994858842221 1.03425021387542 4.90697767951968 0.664226274042057 0.85798925892084 6.48587735361729 9.85141339580738 0.619052407065031 0.786700467675586 0.585359906590568 0.440291238341103 0.914014808260551 0.497652824089377 23.4057164259581 4.93165476215913 6.68622877015524 1.4813690162725 4.24966913303429 0.674596581104197 0.541656559461161 0.729687030643371 2.1174455184965 0.619733622242304 0.350252690611422 0.317348237952735 5.08406723166469 2.05804531463469 4.28280987435225 0.236561396717347 0.333317832126962 1.60204967843376 0.207161054601533 1.55659301917834 0.415930883053453 1.09521553170604 1.10068913336107 1.64495743661997 1.21533815043795 0.740849156084999 0.548820630513664 0.390549961854464 26.9262012701772 0.311746437131506 0.5314069104378 4.54166661429773 0.754584062832674 0.490992751719691 0.781788680013624 0.50332375191199 2.30681831036013 0.454280029712042 0.268252984715392 0.481899408901296 1.20512620705171 0.469900218315639 0.24656847280858 0.522290944237133 59.6460848351698 5.96155533239404 0.622807888522027 36.8108232774494 0.497326041901018 0.723270788060384 0.407530067103466 0.37683767848906 1.26460056533319 1.3734441711484 15.4891967065383 13.5750574696752 11.0946373786036 0.90079898245054 0.448117671752319 2.32546249106062 1.07111534531451 0.884750206438363 9.56873549118505 1.19106828867939 1.44563664082993 1.49651160013926 0.560054396665816 0.605577669213473 17.4993583757417 2.09052746415765 0.675909994130489 0.542254822236774 0.762286067641399 0.349978696315028 0.242210958012259 11.4160653664925 0.689994306448795 2.76087210624946 0.557007781186647 0.52079025987982 0.758744251461408 0.639229950341676 5.01797553406893 1.07523531459698 0.767317256487569 0.724893387311048 0.754673299507187 0.693123874329625 0.520644464749628 3.16917136835014 2.08760527728097 0.356927845235956 0.464950725016559 6.41088963937072 0.624659235304542 0.746101551335597 4.51884716271365 3.61924973323262 0.451266092451709 0.469706662711764 0.999555073482002 7.26113667413657 8.41657187888447 2.27763791779417 0.833646499597178 1.30051141412478 1.43093898348116 0.247597836701913 12.7246143655964 89.5763004988456 0.645975488822164 1.09323598575732 0.279168766661178 0.514874245415937 4.97665015578712 1.15806454450962 11.188525671883 1.02745347438593 19.910410149352 0.589457252490772 0.735709877745756 3.28243910225392 1.73048010587743 0.307905489563708 12.3420567419564 3.95410092793573 0.624415405517843 0.376564941047236 2.90949767293376 2.25492404199403 0.55881388120462 9.02532939016159 1.05613489568736 1.27186015733306 4.55183708148314 2.01314167139035 2.31370838711624 0.492088728905267 0.819017969249796 3.37676478092396 1.05046019730103 1.91159787692126 0.396737456905599 0.380516491817248 1.00691647070209 0.410757669640804 0.394832065376547 4.78922171794424 0.530289566724524 1.37172102353209 0.706200189282298 6.13647303984103 4.11254755623482 1.63297458514373 1.43138893741744 11.1969038644507 0.368500962122174 2.44549712997259 2.75519615100856 108.606370744448 1.65262424950072 3.18725499191214 0.683740198105418 1.25574728173778 0.949311055167118 42.10404367821 0.607850062277144 1 0.977580228169379 9.60239657029525 74.5613049669636 1.27382210731778 1.9302659378586 0.380842017151037 0.521044144503084 0.628981558172885 0.794279300736391 0.902363766390955 0.737011979080913 3.07300314087957 0.518716449838306 8.68721288728403 102.057876896122 0.655318945700112 0.964770366385676 3.47644214635569 0.222333802977991 0.860890079269818 0.620726537353089 0.627194310973472 0.451375438799352 16.652157956455 2.86320394853432 3.25367849911455 0.806340077196008 1.74151528900742 0.476792808780889 4.80338144153678 0.720322207237723 17.0584739020433 0.314632175225637 0.65034557216419 5.06767910491845 2.41828622851878 1.84916236927141 0.329050810859726 0.61154395786018 0.786764567258687 10.6631214988745 0.502004054612845 6.65861818894798 0.719551755385936 0.582159954853784 10.2625946254385 1.3518702624438 0.618584857164762 1.65352164366413 10.7924732007184 17.5535187528986 0.237892405707628 4.52144256740197 46.3496519141267 1.70860203836674 0.392381198963849 0.375622300119276 1.74906270070396 6.54378567110378 0.959722838430088 3.009931664817 1.82593318309732 22.7183627709621 0.900107712436702 0.890364575805298 3.02174232721706 1.04924607578582 1.31346330047497 9.56040128852731 0.522578763933804 0.737734670459016 0.617600740035971 0.263997275139291 0.528585271926771 octadecenedioate (C18:1-DC) 1.68148569333355 2.13132369637275 1.28879888074566 0.566001965515614 1.04103337889754 7.64385874900054 0.958966621102456 25.8144555939304 0.756951515607492 0.798932449618178 11.3350097340709 0.535801593792388 0.333349994028456 0.439119452448885 49.858681895403 0.339951646995806 69.8218751355674 10.7486108208776 1.2381430655644 0.497733276556235 2.58055158316223 0.805024715782492 0.582071325535905 0.382030105860144 1.77396082581119 0.545277384072532 2.83820837230063 0.324823528562083 1.10112911204888 0.627244225526631 8.39527784562959 0.497306683044847 0.352755813693762 0.909004528568253 12.199386717421 2.97724141074603 6.31325121088902 0.689090139096607 1.1471768238765 3.07722638028019 14.3065492518071 0.745075864404664 1.23301915399382 0.779291184994519 0.718194491693191 1.12416781199647 0.684631001848785 17.4669932964505 8.70463017181916 4.05352320311461 1.30607387808925 5.71290343150605 0.691644373504849 0.336909554337707 0.417210149262955 2.05016014421916 0.513140292879285 0.276307167911661 0.36893650485431 6.11400547758966 1.39912353112778 3.39233523684774 0.192227439022358 0.161461891189175 3.72904356958784 0.230624866899903 2.62710888867818 0.43713593431497 0.678880471796108 1.41365480522022 0.779956950543866 1.42667740959266 0.801345965737952 0.518373493337195 0.280331524131294 41.5037919327785 0.297468076424523 0.423691499194053 4.59720767734992 0.806045932748819 2.10210386760482 1.06324575813967 0.641421674133399 2.25019516298722 0.708018828343512 0.23447011544985 0.399137163001157 0.778619739497929 0.418324403446501 0.340118875994483 0.970348933548252 44.1486704985358 9.34242152660624 0.746125291457026 47.9450483280204 0.712503336022347 0.560775662683231 0.376701598594645 0.851182731627491 0.866158783455268 0.749572262106391 21.9680270468485 6.03728218916981 11.2911110037391 2.10055975501403 0.442938568417009 2.61857730499075 1.03675062184062 1.0395129695158 10.4328377289057 2.52136031252736 3.17233656671272 2.08426603115883 2.98456788627504 1.15951389648319 24.1691022532881 2.10945106869343 1.21361849899745 0.535417651821961 2.05871512928923 0.663198440392513 0.110755487510629 11.6579928823445 0.900339191302744 3.43790643809145 0.329070091154823 0.793216749513115 0.568890944104169 0.640487209213208 0.459695245838719 0.657566431905612 0.925975140915704 0.947386042839828 0.666694637251305 0.36103259320339 4.73183969401594 3.73639614769317 0.532149864574911 0.804832923215898 2.48538451122312 0.992215745904304 1 6.96568925629649 2.10770346252613 0.629263254800616 0.469977313533391 1.45354825546858 5.02492535034672 21.0800861201174 1.16467295469644 0.857846218533471 0.941275707062552 2.3757697843165 0.392087439682747 42.676147584114 73.786114997878 0.661521719966787 2.36153424614377 0.521512459380804 0.457910227752253 3.99780246627853 1.64093463759059 21.7401927758947 0.492571689264779 29.436685552365 0.594339834121306 1.11432097972577 4.54805644322613 1.65881193073675 0.300282073753282 5.05227656829402 7.82103963027936 0.840278065982508 0.426270573904899 2.65091627394249 1.48326505784307 0.553361362484539 3.44582367868523 1.58966099651418 0.674540007579322 5.34384423979132 2.45094532497932 2.96364084012327 0.472832282214919 1.09026753914695 3.37651310007885 2.27589412214825 4.70875760014807 0.403639846511164 0.54693469151222 0.282031797404915 0.380106461901792 0.712023266881485 3.66439842391309 0.734559934348898 0.86211087438774 0.878383393106574 14.0518322449545 6.64622009356312 1.33776313680918 2.46574030008903 7.94350762339799 0.224137382625784 1.44318666851252 5.06820314035952 111.411934235602 0.249217303270105 3.17904890116498 0.702760636117739 0.871678328986785 0.749079015487929 19.5577608981526 0.348948997708937 0.936885940903708 1.59952986698018 25.0904898901483 29.5069654329014 0.550963288759127 1.90232111422692 0.385929922477051 0.497646381328332 0.413666770975742 0.882027495791538 0.935371591236462 0.290621922415253 3.64795315906548 0.236654698891608 6.1866487463069 37.8238337856591 0.423346612797542 0.887422764077408 3.3122295019792 0.189405111104312 1.18980550951853 1.07496667006959 0.291587059050549 0.57270711132424 8.32545984095542 1.39815104842738 2.03443782305647 0.481685805312008 0.705903615990733 0.32507936022286 4.94527492004906 0.417544357358652 24.6455976470781 0.812331362366396 0.985560059459202 3.27533582120071 2.27878809313417 3.99261250915229 0.164318450255931 0.612116099939202 0.498862192968559 17.947185275638 0.778073252840655 8.42665862790045 0.0642824621102079 0.587297684065885 0.938470343253601 22.9297341300002 1.68006091629818 0.828312083262271 3.5448305361234 15.5034723410804 10.1003425538315 0.437008249100978 8.84958560619578 27.8638546939236 1.95638822908939 0.29879847153377 0.496514178511503 1.39839119659676 3.90399700159372 3.12139039352795 4.07518939973409 2.08559453295233 28.7495447711617 0.798113848559581 0.79833150413788 6.08747020299677 0.329130071397694 0.947238364211546 9.1992339190091 0.787884112112162 0.949949213698397 0.899434943701878 0.358561664688026 0.570416350735379 octadecadienedioate (C18:2-DC)* 1.31918447245241 2.29652364229573 0.820918369382817 0.655668522575345 1.14803365662098 3.39620483608527 0.744110822887133 6.99969213136261 0.522548947685762 1.13259377331844 8.03584106611563 0.662905328398841 0.652127163559895 0.389611495153959 30.8423613330088 0.271426772129836 81.9727526535893 5.77408294486532 1.03597663472466 0.49282596500038 3.76248891278989 0.752792534292975 0.31002954986413 0.414252650161674 1.57743929621373 0.652880618078263 1.69354721046356 0.212403576187358 0.802043535633416 0.968569466736528 4.97571091411202 0.617445132314451 0.446374122909468 1.03143053326347 6.23819476226331 2.40697205311957 6.50665651235093 1.07979751099802 0.856256103789053 3.8828825115804 5.62042200141563 0.781622958310561 1.15129763195384 0.837000295669782 0.923804284523927 0.631210543763608 1.13877807742964 14.6201331409987 3.32954027828798 3.37344849522001 1.1944048525683 2.25956115436651 1.45692377991417 0.495698094273862 0.437059429626112 2.03618353029719 0.81492971122918 0.414634399835142 0.467144994668984 6.18373206941968 1.24844397057638 2.57571242977843 0.216074042881078 0.161841395561369 3.79355762424851 0.421234824524464 3.20885324923171 0.379110661135551 1.19089408750034 1.75448154751772 0.658495667989714 1.35500049278297 1.37812545358432 0.455975844674808 0.426368368709177 22.4362677513865 0.647324367669853 0.588157081291271 2.12507763571691 0.701224789671269 1.02026574441587 0.927357339330353 0.598256444257286 2.08062001057244 0.915120194246087 0.341864869950095 0.46993934289631 0.718671815502056 0.436722186881221 0.387148220157511 0.728450063165817 25.1847907464318 7.23084928904857 0.918623791561764 7.51461773481109 0.42095026475885 0.408827086935876 0.719242726971356 0.38928851098906 0.753260162528783 0.804164105688507 17.414371701714 5.50830724570159 9.37778964438989 2.11164311761386 0.368909874474738 1.98875558860686 2.71905242314826 0.966579638207704 6.01117595935885 1.09078495847184 1.79715261040578 1.92167797080933 1.3245572569012 0.840266998772522 11.2290627267922 1.62580641693023 1.15166784635923 0.523641934934729 1.89378358763921 0.449968909874475 0.0986777288976893 3.81696499448979 0.758991138866241 1.76571126501868 0.290786750409906 0.516391753500999 0.64002867100913 0.916066337547374 0.24858589207157 0.636507512700361 1.19176317746459 0.862340808701651 0.730428721183396 0.310276227253586 3.36158479002966 3.34596374909283 0.414696042504771 0.567979141840858 2.11804929621632 1.24673517843223 0.583622761197373 2.61270269059501 2.29006388259222 0.798187633835375 0.231920151239573 1.31848617071794 3.56454292139664 8.99453028823324 0.96545394271174 0.415352608613846 0.724494897456344 2.54047217568161 0.325190527815359 16.9675906496672 47.9514069401762 0.813842721595542 1.50969599770632 0.432322978917849 0.429459103493383 3.65521068711865 1.12535108546649 13.3706054062772 0.586638234582613 25.4518024209083 0.536824506545054 1.12063900511598 2.11106002096568 1.36735375545421 0.320546541111539 6.3477212819525 1.78719409377212 0.762157493437027 0.390622788076444 1.70725215256561 0.866994830258666 0.243837972959655 3.38146490937273 1.28390642499395 0.855324654379945 4.24278538853697 0.565692628862747 2.02449937730152 0.906082733780721 0.670613111610863 2.85135981220489 1.85907088011038 1.42757183431741 0.490264938043741 0.458798147136035 0.29122685040005 0.339468690362061 0.502516418632572 3.28080601374417 0.657811864421966 0.82551612296279 1.32800960478806 7.04363906783382 4.57162000161274 0.817865980951698 2.07921262241177 6.60409744559228 0.343310963973085 1.69241920599224 4.28429240845436 70.6796186755786 0.169344957038285 1.65085878632035 0.621530494306117 0.704818342278091 0.716085332090923 6.99267097329116 0.26071480409637 0.283016906935696 0.74201395919757 4.44175824963489 20.5908173925509 0.719075718343174 1.54121439643046 0.359953767997778 0.438005931315014 0.388905394629562 1.11051742211789 0.727499260825546 0.410334106853267 0.685576869663384 0.30742274506993 4.02072125507342 23.528255817079 0.650636227611974 0.64938975549005 2.64322943079087 0.23573662094238 0.573014129431687 0.533511929827705 0.197395597208161 0.744334877386638 7.68094686007652 1.2193274856421 1.78299880836118 0.351890763455215 0.571536497298653 0.2181781365636 3.05029074195196 0.697185761260091 16.0262676617896 0.69416240334734 0.639684977287185 2.09925079069267 2.7637935328955 1.92185286396502 0.240131886641998 0.74169069356963 0.676157009613748 11.2335751852416 0.998443522591859 6.28920661941923 0.127325442832696 0.724605639229108 1.1813043517216 12.7276143032497 1.71534526166776 1.14152798559282 3.00684197794124 8.90744496510201 13.4489163254518 0.353854010805387 5.57348827624517 14.7664699715978 2.18234941000439 0.184662443665947 0.643003646593974 1.06949673419287 3.87456827732034 2.00397057637688 3.59160799562767 1 15.2098234045031 0.465212568653627 1.43986452948186 5.78383062601357 1.14150146490937 1.47874779367625 3.86554730268522 0.522718370053131 1.06683713970845 0.768952880988433 0.320407486717259 0.266159787117757 glucuronide of C12H22O4 (1)* 0.883669479106714 0.507635223668581 1.05110150500239 5.75326451223146 1.96976933093317 0.537139311707343 2.57276627357817 1.51399893053804 0.987807317242421 2.70133846021969 1.33254960548283 0.637799357506439 1.9232354898095 0.683712747415127 0.354987897119392 0.64002808358131 1.01219268275758 0.776208961438141 1.15015747331839 2.75691845942717 0.20229644475599 2.35732127518833 0.585050401334821 0.854058270064273 1.68922961485679 2.6890124102797 1.98049107980294 0.69152013585159 0.587479143424131 0.64102007167751 0.37711651050974 0.709686336844807 5.71249025047637 0.57102096024169 0.763543199028503 0.406922902248067 0.34450620513985 2.83272285683257 0.305962265641198 0.644929754065181 1.41508781975969 0.416094859162578 0.513461747312093 1.61014740292436 1.85345602100961 0.53491563576767 0.581041989593926 0.792401788975881 0.529742217658732 0.326182037181474 0.92247771184851 0.787879984598221 0.969453138112492 3.25768361191466 0.671517568888406 0.275188326241275 10.1499402687413 0.832318066484347 0.22569530147008 1.21551630515269 1.01813658218725 5.04011373621491 1.72972839554928 0.932459249459457 2.9617423756257 1.1528922764027 11.1980313366967 0.582759880340024 4.3760403605596 1.8218527550426 3.31748398116244 1.94560999930889 0.783091610966857 1.45196323318886 0.57044832999299 1 1.29169587410033 0.463514567516068 2.87437677095777 2.04998667153732 0.279344832012006 1.32649797111179 5.8880507863793 1.66150641247149 6.8752258433955 1.08080010267853 4.00046402796015 1.43606780731979 0.365032037675121 0.640230236851718 0.296118949124764 0.617423756256973 5.16147185719786 1.37526039866913 3.6986187763484 2.23490675012588 0.385232063344753 0.662454214262442 1.46988261079902 2.30198347270627 2.70441418938265 0.563951938550851 0.866656135535656 glucuronide of C14H26O4 (1)* 0.555266612385969 0.315980126618036 1 1.59254582010934 3.46000398796963 0.388195609910105 1.84760971070604 1.75543776274904 0.498604210631262 4.74239377876739 1.13614762134228 0.689918745118891 0.387921436998388 5.91164154799688 3.15094465030491 0.415853840913245 1.04233894418504 0.478672670776491 0.678029610674465 0.838014286529655 1.68162200845601 4.85552340769295 1.01547634205131 1.11345366097811 0.440160339294103 5.47360240947986 0.184943385126028 2.6443953689516 0.736744128868537 0.497104497139621 1.08056917815136 1.00503584803769 0.330530761699456 7.56117435800621 0.415538686464677 2.14168865551199 0.994964151962312 0.662369877989349 0.265999903410064 2.30336264691549 1.44344000667349 0.479182673521625 3.14725135774717 0.3651802060878 0.249447900705546 1.01804914671572 0.704210882173449 0.496481053005923 1.99260647942854 0.813015054858693 6.73932571443624 0.816202522753516 0.440994525106798 1.02968384357699 0.904977455030799 0.615365702669834 10.7023142070625 0.46738113949782 0.630258114652254 0.790588627852147 5.67165568322013 2.39579921586534 1.74430009615089 0.324788050946801 2.13065984097784 2.60611063060057 2.6796155720539 5.31970829839266 1.75924519355306 0.191889079629622 0.549930411341415 0.42681336629099 1.18281401607783 1.51237009751193 3.28685893917907 0.448361702968384 0.582920265007661 0.515017539854325 1.92034842624261 0.699460413492736 2.43790364714818 0.358585747715868 0.826572769540803 1.5477220141636 0.634955897913218 7.78800265183279 2.39603630025421 4.93352417163154 1.27374905056483 2.58566868773791 0.795804484407311 0.787295789117827 0.530313873388155 0.93810780314971 0.321846448344141 2.53753177589379 0.482949681033688 0.558632286503313 2.19226665847116 0.571935354989968 0.311010813682404 1.91978644843195 0.779041740023796 2.51789767613394 0.593931517735229 1.96048593518815 2.31584909139603 4.56202171517384 1.87099974974426 glucuronide of C19H28O4 (1)* 1.80574504036548 0.19425495963452 0.852092339042727 2.06695726093798 0.305980092483737 0.590774536224807 4.79041641797344 1.97469056533247 1.09713203952564 0.499496584612973 0.674709255005516 0.597454587108949 6.02139063225355 1.12139244093159 0.351365853364443 5.92200980303496 0.657128904483713 1.16758607800226 2.11307855088716 1.45684192756847 1.51574454231402 0.557796306679448 0.312418986296249 0.313709176629468 1.1617621347224 0.902867960474356 glucuronide of C10H18O2 (1)* 0.917972686520485 0.707300969524273 0.557823956632033 3.34430274177294 1.91564443826667 1.47894151579386 0.770111547416339 2.85630885776836 1 4.70288772283421 0.848107863919102 1.9214164503893 0.815482132162108 1.80286317961004 2.28144340187662 0.788921607772676 0.230085845478139 9.80670626206162 0.181298662407666 1.11123311372862 0.385938643774539 0.980925999866906 0.328608504691555 0.503335662474213 0.739968057496506 9.06894257004059 0.409121913888334 0.302230984228389 1.97022027018034 1.12408498036867 2.74858587875158 2.90531210487789 0.524031742862847 0.63985659146869 0.282541425434218 0.698384574432688 6.31494143874359 2.42826246090371 1.78571903906302 1.01907400013309 0.76578824782059 1.0275088174619 0.201013176282691 3.20971418114061 0.311763825114793 2.82283556265389 0.281351899913489 5.02785818859386 0.203317362081587 0.263425833499701 0.193651427430625 5.66853829773075 2.13697012044986 3.0548013575564 0.227989618686365 0.608496373194916 6.2542174086644 18.9248935249884 0.734269980701404 6.42335462833566 3.21378185931989 3.89887369401744 0.326562188061489 0.75555666467026 9.27974645637852 2.35310607573035 0.707518134025421 0.320182005723032 1.61443568243828 0.62753709988687 7.12974978372263 0.253302389033074 45.5271344912491 3.10414587076596 1.1265888068144 0.407283556265389 0.936971784121914 0.611058428162641 0.441962800292806 1.35033606175551 2.14410727357423 3.43249650628868 0.308195248552605 0.792415319092301 0.903432155453517 1.13194583083783 2.31660511080056 0.296948825447528 0.490691754841286 0.717807945697744 1.65017135822187 0.515388966526918 6.59994509882212 1.61068410194982 0.304826312637253 7.44259499567445 0.71151926532242 4.38951553869701 3.57736075064883 3-carboxy-4-methyl-5-pentyl-2-furanpropionate (3-CMPFP)** 1.49717451532051 1.25790377079263 0.786569596014283 0.443267322628747 0.623287771124227 2.45210377457939 2.01758712614716 0.402330033395116 0.266198818633717 1.47101952841553 1.11751290056484 0.578924169139147 1.06702786286613 0.824591337124868 0.412022407887101 0.561482244708517 0.90712501624724 1.1186521263672 1.31740314853611 1.77153853180212 1.16258824682296 1.8578571143468 0.389972599732471 1.40995305954729 1.66100817069888 0.570120339600589 0.527430907010518 0.58965937340406 3.44161624478425 1.63075772780166 1.0229385450046 0.369219820302961 0.620471433513221 0.569508893253327 0.9770614549954 1.09262551824859 1.34528698607292 2.03840609233498 2.85250178183271 0.309852458938888 0.457564111981027 2.25518525138208 1.15311088763027 0.969179643391705 0.717191869666596 0.182996790385946 0.926511579755846 1.68405058547882 0.343081817303159 0.743840571215868 0.801324690203836 0.52084825911179 1.19680143055468 0.528207692458038 0.694962181475013 0.627362350955658 1.91490513845802 1.19710021013514 1.11075193657178 1.43262703237742 1.4647927744277 0.733395373556603 0.82117194023999 0.918280762830572 1.17998213853751 1.36242913550297 0.603329262360007 0.289282873930078 3.14811020453144 1.08650477947411 1.23769553307955 1.94642136391952 1.00982078245449 0.815362456430212 3.32677883394762 0.29280876542279 3.4411781722069 1.65424690803345 0.101868532402987 0.406917512514258 0.256021834207357 0.970246769025399 0.340196376656649 0.0935154741746482 0.790556245207281 0.557755676970436 1.02588878761144 2.09052572874801 0.289444302636518 1.30804199115486 1.0268681802525 0.27797535843436 0.743467023629468 0.265548369952678 0.206573667419919 0.186140458474098 5.32464448519913 0.530784897857107 0.472197585227363 1.4530187143734 0.804452176428904 1.07978345742759 1.17592877679689 1.51590816051843 1.3087570150448 0.152637665616129 2.39937335247797 2.44898889431913 2.12600300134568 0.736327995056928 2.95044962427615 0.919278579400089 1.7809559650076 0.143065118790228 1.28818957462025 0.192855346767822 0.457954426317129 1.10448614371922 0.443293658361975 0.703087523846924 0.129799987785618 0.979499675314816 2.7244796544022 0.912951665895997 1.09182500562832 0.771897874702372 0.850142544179776 1.56287436094435 2.5827597748323 0.120210284285603 1.16383722079036 0.585119304928542 0.851668123440516 0.770759490382441 1.8610017928237 0.286505929751121 1.95220589256695 1.4986632660059 1.06562744662337 0.786291154511106 1.70551017295731 1.26774710496965 0.295582395244248 0.44601913251859 1.66204607863498 1.37244541630938 1.21854936713562 0.638538461924637 0.403646436624586 0.621821817508844 0.978026735849655 0.421382830858053 1.33219995304335 0.506868786584963 0.385468550475983 0.0944525600170436 2.09645296973012 1.00448983337896 0.554675664042492 1.09078595455226 2.23820189866869 1.23932951132674 0.771098237215098 0.424148174785762 0.679717111788941 0.461274925125983 1.15988192503927 0.857367063679579 2.9079721361965 0.923792636833127 1.45462432561964 1.07085077656127 0.344712773636158 1.20398003645501 0.71599226721403 2.00854295141683 0.288854931888248 1.60234192500906 2.22796043651453 3.5069585179402 2.81493012773875 2.86809875830033 0.305395622913265 2.30499692520231 0.613561561290488 0.738616656391346 1.14949775055044 1.00769764403284 1.79357723332741 1.80487149139313 0.563763144900249 1.15747726119238 2.3201792170581 0.573616729745876 0.972187032897971 0.931551547739152 0.556480429182002 1.37345590542227 0.441452532771075 4.06609842657214 1.67208867933918 0.565572491651597 0.643797859870622 1.13385944209518 1.18075321406163 1.61553677213846 1.47389975150605 0.733291361219785 2.62394895265572 0.318949395463629 1.87997531973436 1.60537280746113 0.0684316367705934 0.798713268937642 0.128283864191862 0.799263354801434 0.0121497522249696 0.613134594059687 2.18178246828684 0.766891537699574 0.379560025865636 1.21884814671608 2.14458153482729 2.71037345644157 0.410329936003169 1.02076254885205 0.175219942956983 0.827716918971319 0.424894977515253 0.28652493856619 1.89035764208224 1.89580790802775 1.19591454748029 1.74536346974628 1.1245577952543 0.856552024178043 1.10671885090056 0.183928222324372 0.205140305282545 0.485854785227928 1.83706345586009 0.836736650462546 0.634588430153108 0.833735694709072 1.19469710598589 2.35027913957525 0.0585664516737189 0.598539723330109 1.03193183614382 1.10002482356286 0.612126541974364 0.0827658430309565 0.490962892502178 5.63670196668613 3.5925072514974 0.272396222470788 2.84307262970921 1.46235252997824 0.632393643120805 1.60011184981749 1.23119666290991 1.14827943172611 2.10967004255099 2.55226173949082 0.643850402185097 2.00010713173211 0.415547904480412 1.08650390214418 0.995510166621037 0.0458345423020952 1.25876792561724 0.732182806117349 0.84264273804532 0.298846355013407 1.37747007975953 1.49422290428667 2.55449337438003 0.640594728309687 1.54735848875436 0.622423080951671 2.24718829162271 2.97016517734225 3.9908843471035 2.14606470980826 0.711281590396396 0.885356032912935 1.47725085938122 1.06726142487056 1.97551645122774 1.3784531766825 methylnaphthyl sulfate (2)* 2.11613600051764 0.90197151972764 0.335944771565519 1 2.30867896730393 0.220475733036021 3.78414322759829 0.511684278113194 1.12336308116529 0.761928955959613 5.378126824206 0.490854647266123 1.20894860873889 0.878688949905952 0.597204505653687 1.74267615073617 2.18060450132964 1.70770544613322 0.91977817655071 1.10082589237455 0.586318725271874 0.521155384515599 0.362322443949582 0.68090718439885 1.14379607809223 0.984995567855058 1.07692474001686 9.41883769701425 4.8160767950187 7.59145352733877 6.22611506280674 2.23749810823082 8.36848420642985 2.04682939485006 0.922275311871662 0.623462261907336 0.600890753032236 1.77278230601258 0.356722807169265 0.438522906622273 1.03906773614685 0.818238816941604 8.31535251767453 0.764739584459386 0.823903314379608 0.600188095907293 0.870430026160465 0.975817784792338 2.25659957191966 4.8706786586816 0.474412470542451 1.01118846345102 4.85543640412514 1.42989643914989 0.320692711824098 1.15564395822974 1.85305818000995 0.807644909519383 2.59561541954035 0.988811536548981 0.278036019285236 1.59228590577909 1.88179145136532 2.55694765744925 0.635245281387153 0.529035954424578 2.50416189220159 0.900319979244589 3.62728904071087 0.98706029879143 0.400395650011891 0.852485244200376 1.51479904006227 glucuronide of C10H18O2 (5)* 1.12970036796916 0.870299632030839 2.41983775592072 0.379080616884082 0.362594716667162 0.328648263156331 0.73599381927317 0.456066323953288 0.416497786230054 1.01117879535257 1.57122396220248 1.17494428431343 0.281710397289989 1.23035687754435 0.456779484741331 0.370784179716519 0.341746649630048 1.17225804534514 0.274733307580305 3.33494190711081 1.85017680444537 0.988821204647431 9.58165988173417 3.81083410097168 5.12477342287463 4.20089739399162 0.640240097465308 0.396077615665765 2.11973969631236 1.0512703176537 1.50617181231985 0.772567081686625 0.42556681425133 0.789136183995483 1.99430659970879 0.460048138353193 2.67064451906219 7.45320773779455 glucuronide of C10H18O2 (6)* 1 1 glucuronide of C10H18O2 (7)* 0.618045980697085 1.37869508565632 0.202735988480049 2.34955415572339 0.505985885727445 5.32846436598 0.145072101720705 0.934835901905514 2.27734166625371 0.454318087081739 3.13955698324185 0.213535943006556 5.87751306634175 0.697986048965624 0.243918649087469 1 1.57702655826874 2.34940840734922 1.22724795004912 0.372069364566238 1.44224429176493 0.114345429476734 0.217013499214416 8.86923164372101 1.05673692709958 10.6187538905552 0.144887274647899 1.76285748092663 3.30259644718362 5.03032017875547 0.307704971164877 5.07384638073337 0.317215502886942 0.625723021625913 0.53371814460604 22.0129608003526 0.43569416078046 0.144328235098424 4.26230272849027 0.144592321265967 0.597026801316315 1.22321283115805 1.16381745129411 0.588620629931252 1.10095122465673 1.26313442843351 2.07298038388526 0.264785824403277 12.983624942767 1.35455968776098 0.138580073841236 0.139025933604622 0.382125825054918 1.18418981279035 3.01340494527071 2.59615908962296 0.106001443899695 0.598388388439885 0.223989656053489 0.930097763327348 0.329565818332725 0.301198848309934 0.518504037603127 1.36601142429901 1.35265277984988 5.42517015551932 8.42715080177589 0.974313333093255 0.113591348948714 1.6016585983198 0.496622612292354 0.739417261289255 0.790447626053987 4.56647511845294 0.943140876251623 19.0208782408432 5.12153965665369 0.281533003054139 0.0964085996059286 0.142400749044403 0.0943576446943546 20.7490478321784 0.0956643567701233 0.151575171098684 3.61893051961526 0.115234170692266 0.106214084709925 0.340616281083714 0.101755487076069 0.262635408467563 3.34890069845647 0.997727830051977 2.61497780132832 0.475715219080054 25.9603150513682 1.0425195878198 2.92305660875634 0.214098428687303 0.242818656830314 0.983463747314124 5.6792381971489 0.499791646302879 0.576726463320318 0.455408021703082 1.70968698929765 34.6775696527267 1.28831864568382 0.131947052438253 0.273253730217117 1.1431878630113 0.353937198937482 1.08804872904245 18.8001502204434 11.3631544921229 10.6324966603389 0.256338496732362 0.475910711437846 5.4181049931149 13.2457253195185 49.1982892703848 0.87543192664578 1.50911183020288 0.218872557846017 7.30924661703905 0.441960205301273 1.0965132051658 0.337076840500529 17.9253665052997 1.05424226990635 0.139698152940188 2.39789897160731 0.234752024803522 1.67294471510419 20.4022272410026 4.21061386315192 0.162224360062626 1.01716731573559 0.549450134872578 3.18659059613165 1.61583693879546 1.85758553219365 5.69952138669246 0.584278641773973 0.940469147361796 108.385308577827 0.263417377898732 10.1920077922568 1.50890261908314 0.356533474636581 0.517571161790504 1.87389028077161 0.364665270782638 0.109599189221169 0.850871913064206 0.445918068123942 5.31549894279791 1.57990064186658 0.401116021284659 2.99902425305628 0.35888967200155 0.441414884513747 0.184802012542378 1.77057428452369 4.57183229499454 5.27491541525835 0.184020043111209 0.0947143325050631 0.505303158916424 1.00227216994802 7.37513097130549 6.2019744728137 0.521655923161214 0.291197870848145 5.64721517706635 5.64139156261843 0.406071924039215 1.64154589869037 0.390662324678509 0.162454149325294 6.61410323025399 4.07087798361637 0.97139809617881 0.481092973764583 1.10882922370671 11.4440677501059 2.89362986437289 0.339937202367172 12.4024741787177 1.69701771263652 0.610580938123239 2.86782830283481 0.274443832816308 1.23665378817889 0.557753415543014 21.6870990477464 3.29959889769748 15.6936909128636 0.150371349737543 4.86928935098252 glucuronide of C10H18O2 (8)* 0.477369956007121 1.20020636198203 0.799793638017967 0.706922288644594 3.92882203111499 0.378406417519343 1.53495819901245 4.6732926153703 0.517060807715457 1.20806615987697 0.390731753386155 0.210689381520172 1.4424730735672 0.586025741683852 2.48224709028196 0.269020471277767 1.22993432783646 0.44905720483823 1.71657083896577 2.27238935882599 20.1793438580227 0.593196821386266 1.20679469584738 6.31086006162124 1.42478058415965 0.704345297063448 2.1594911552013 13.035012618115 0.113726630736092 5.41332279046658 2.06047909452528 1.47224772101393 0.982552767351044 0.214171673013594 0.678015396220928 3.789133576304 0.416634098902997 0.177601861361302 11.5997043150015 0.604790945252832 2.00242667708835 0.62448611098488 0.144400919774237 0.814163796159125 0.230328313353389 7.88816078477707 13.9080195467173 1.46459202438189 0.85665033734144 0.646353470814739 2.75420578585256 0.509241670983789 7.22473574668036 0.677518548477495 0.128217013399741 0.0982274047885216 8.6018825682181 0.696865314877257 0.526534396102775 1.33764742593485 0.639873243234236 1.23741142325672 4.0115486804754 4.51131388962103 0.157840045322209 0.303640621544409 7.29990517479043 0.273741899715524 0.121891293349208 0.573913675734138 21.3987596983771 0.426689206588686 0.554685062151411 0.27244221872813 1.69041235333146 1.82717878338953 6.75066120134149 6.72074430215614 1.89828557232922 0.389977005644069 0.383163526528337 34.2960121909471 2.50676349138545 0.149657205352626 0.580821071191617 11.3328819289811 0.62118692078611 1.25577358284785 1.95203298584287 0.652139929290083 0.0842702245812392 0.124669399329256 3.21671044380016 7.48914357385006 2.29216162093547 1.47292331276263 0.64682002296406 1.62423768711316 1.85422366025309 3.38270000393843 4.2342364449938 0.241392264323 0.308063778284724 71.0869544142195 13.7787846013554 0.424874500501392 0.45222839242489 0.137578351980271 2.91125814572787 1.3566124678488 0.318655117986191 2.55978381064042 0.302062221091187 2.1924042886443 4.53205122379052 0.153986445751194 0.46300756480985 0.752179010606488 2.85816511704703 4.59947406848622 0.401337853435975 0.39382151653685 0.752478936988194 1.51434950815103 0.160972609753364 1.17335138950742 1.50088917568718 0.919822710183258 0.3967359526904 0.854275162763079 7.30641569796505 1.81885052456821 0.139902024048643 34.3149075529946 0.856904820331979 3.66054695665609 0.581327007613283 0.270527537180268 16.4239171597275 0.534995955538186 8.68833407557539 1.01744723264896 glucuronide of C10H14O2 (7)* 0.915126620202466 0.420247406099215 1.29625658330443 1.15177867482418 2.04894509445268 1 0.633436090699801 0.938365290611498 3.179527105869 6.09529898693612 1.15953276930223 2.99405001122147 0.402756828134052 1.23008710992343 0.565765643512164 0.448195952963773 1.96376248062339 2.03254748247624 1.19320239878495 0.340161902326237 1.7532894565155 1.65556350047235 0.736754750857268 0.988000855963298 0.0805179621810362 1.26947707949498 1.22699207190092 0.807282995036457 1.59382453796249 0.702406613882263 0.313872346644259 2.0707787700225 2.09033022437721 4.14663068837195 0.809991805717209 1.41035089275928 0.206469829903391 2.45575348257019 0.226861589690862 13.7840728195118 1.53424636085116 0.995537508416102 0.534382062349619 0.415262243145769 0.493379332661785 1.25732135680621 4.79719932984337 1.53447079025246 1.34926956058811 4.67760977468332 0.436139396754647 0.462423733148223 0.693372025658022 0.733430064145055 2.18280035699933 1.10624383471558 0.883364562075607 3.11593083399009 1.48816004425957 0.891125643929707 1.4259148107747 1.57499334540729 0.792726399682667 2.38576282509643 1 0.641361816729907 0.487304080961602 0.685981513280479 1.18513337891512 0.407986555113076 1.88933020871934 0.660375684379192 5.00961914852529 2.87392286935599 0.388038434839794 1.19785278475133 0.623323956011837 0.76883771666571 0.674619122428848 0.850436071546005 0.732271382119762 1.01555869872702 2.7006007400951 0.547639054891256 0.682677703721875 0.323214872884231 1.07816406311163 0.739009483447027 2.62074040825274 0.268595019755007 glucuronide of C8H14O2 (3)* 1.01042794344986 1.29177843279244 0.51952780663501 3.83816944934572 0.308649350384437 1.16734685551682 0.989572056550139 1.10900603063545 0.573876377072803 2.76617336583475 0.397160836858125 0.806855021425585 5.19784971930372 0.914153416218752 0.078928922332191 4.65144443911908 1.58529140405953 0.826589422224352 1.99668096527595 0.749994008962592 7.05377854729325 0.930300270794891 3.75638944139567 1.75810587361308 0.174611780775959 1.60922559850464 3.48064894917204 1.79460926454025 0.34529643653095 0.0970038821922404 2.10612823216468 3.26515133360493 3.3773874284071 0.39124170241319 0.0963448680773563 0.728623978528122 0.405188837499101 0.3648631647056 1.60294100026361 0.16006254643054 2.77817584893 3.55566871959549 1.31452047736586 3.6434883414412 0.841099714826619 2.22077571952359 0.610962999352968 0.161200843538067 0.709680318243907 0.296325696757651 4.51507644563733 2.56307364183182 1.03356179155983 0.245246111816722 5.47338481631479 0.296825948381222 0.355052840949939 2.62355615998466 0.12185470536078 0.0910937237892113 3.39002851733806 1.28753684488006 0.105472213568502 0.145501330010305 6.74490462268446 0.134396942174507 1.051726616981 0.625703946895444 0.200681780057035 1.89377890675549 1.55480601020873 1 0.130673512425412 1.80725634450862 0.92311402142395 0.508926645737976 0.98146972129694 11.4366986987467 0.555512952622876 0.119880658534832 1.9713748232644 1.34070730187639 4.32153298665197 N-acetyl-2-aminooctanoate* 3.65602685593377 1.21540984171719 2.11086260466359 0.27525392905931 2.62197859971644 0.363669075599109 1.04442950532852 0.180355349855421 0.584838377439637 1.34082084696169 0.436109423278303 0.344440709665464 1.31142454525475 1.05002951911848 0.695280819467966 1 0.410856571559084 2.14255795012346 1.14705045830047 0.317041796486148 0.628041869745274 0.104392100080585 2.39869986597889 0.680557889792418 3.36294294837817 0.893033057103334 5.03459769966344 0.488860303465157 0.492566353376168 4.4948093754444 0.404282642327399 0.702294303456538 1.09947511990795 2.12787595937135 1.85481334005594 1.11615812866331 2.40276744465779 0.593233452281776 2.85458441552656 5.11370787985168 0.648686295387147 1.85673023948583 1.59706326542432 0.21331123654405 0.99497921743508 0.719378201101573 1.317806180864 0.370643940237689 1.61680187585109 0.77584678371431 0.338671905744126 0.684445078044137 0.372749669216411 1.94658754590504 0.469518162283691 1.44307775010729 3.17426912047948 5.41399552421217 0.503441485830879 0.223575551565858 0.370002420548826 2.3473086615553 1.00029551485668 1.1737315507402 0.365502872731107 2.0299138254918 2.7092802059991 1.08358912445928 1.76834308235361 0.480741786840233 0.73724274243727 2.65987724995953 1.2643966967676 1.13422462990106 2.33768883622091 2.02610331733989 0.674082753069865 1.26688852555907 2.60762606530136 0.341725064263344 4.33341500829372 0.432761460110692 0.256996945356482 0.253958636830061 0.802532220771873 0.368885701090435 0.465579944193727 0.400438965787102 1.53445569578899 0.489253802711906 0.259346214217086 1.0947622590403 0.228431499210723 1.0669125825474 0.862552921661833 0.287567140529937 3.2968142310451 0.483453395525103 1.44563194886851 3.15292968082911 0.221015412807525 1.50366869072069 0.466560043718379 0.457555008085821 1.78697388331767 0.652086943737832 1.81961713748569 0.135987324046148 1.83051109220212 3.11059235136271 0.643726397792697 0.936633595732706 0.649835684829693 1.01175673929798 0.826102129340467 1.64831356056792 0.0723937148890483 1.34472624780777 5.66200525392745 3.08082999579745 1.2933779427117 0.653304643147248 1.06252589467494 0.395752308060131 1.71427722857554 1.27353538233534 2.5859183458296 0.450453741529935 0.313539777933208 0.420640895989165 0.851198617168671 1.37422130350267 0.431612070668146 1.54186881219363 0.479022157674254 0.40620076299263 1.51670698439711 0.579497208943854 0.419812266391051 0.565161025896902 0.364365363282799 0.784222179652243 0.331315219312119 2.3576472265411 0.64635187651934 0.247772129830517 0.903785411664075 1.8104012319554 0.219227473674675 0.355591987537886 1.34713194664101 3.14539479448353 0.694789583027052 0.956321716183968 5.04613150262622 1.0840940242144 4.09023449623627 1.68776999143155 0.950984628772455 0.0933411147295594 0.897750374591068 0.374659378290202 1.63772551570313 0.188535508560278 1.26783892509812 1.34165229929864 1.12818959282805 0.816556553970071 0.874890295678207 0.660007929896154 3.43581016363207 4.33589198709239 0.486159064212854 1.06412375389998 1.46259064064354 0.928284929781809 0.996654296622666 0.431772450590362 2.41083099074697 0.844735900303088 1.27371358224891 1.19324741127501 4.65621821173417 1.21827261913778 0.360266765270619 0.436545238275559 4.04296399916246 0.55083375284563 0.425342403708934 0.751053235739181 0.631709783620755 0.948807619828304 2.08331736959108 2.0223432991635 0.20485268064645 1.58260828243498 0.223266671715664 2.7793424720189 2.32509604232842 0.268591819732967 1.52348749110857 0.948237380104871 0.718187231679193 0.51969925794586 1.81653130898232 1.29879522008432 7.56147971268234 1.73854805680419 0.27181129817152 1.25985556897005 2.12034137163444 3.87997344821288 2.01515887264795 1.62658505110625 1.13707879851678 0.293994217412805 1.56219845233375 4.82437656017737 0.347329451545216 1.631684538633 5.27455706183983 0.205782290195589 0.419337066621523 1.86373943608637 1.74903512171797 0.798540542707837 2.11829207262835 0.618778409892471 0.281885533285516 0.999704485143325 1.33119790436902 0.303961532578657 3.28626182616301 0.118494032530394 2.70327486891169 0.745918108229717 3.19966854816075 1.47242133587565 0.714739063351554 1.46603286897406 2.86077686252322 0.434590979223375 0.426622473088101 0.76791688756031 0.482773265854966 1.05412970874709 1.66264974361487 3.28278692784834 7.80010424694944 1.02055981502849 0.705297437930743 0.330364819773062 0.723357999171371 0.902935992076044 0.669410945335692 0.507638093795524 1.99599050194461 0.470109191997042 1.31326208306789 3.24262957732466 0.232984507002514 2.31431791755581 1.41426282408253 0.159720582535517 1.08692443284165 4.44047454636985 2.8961109353862 0.955430716616102 1.27423927199395 1.47058884676441 0.271870698142711 1.21179208228084 0.464519654707968 1.47327372546224 0.508110323566493 1.24744691498825 0.734854863595391 3.725521643122 1.060010305895 0.480575466920899 0.460614106602158 daidzein 7-O-glucuronide 3.97056559176093 0.913175755529293 0.777555292925882 4.3250683775114 1.3987269964545 0.529454668242445 0.842134053689009 1.05751814958636 2.10095897349316 0.728802971467162 1 0.663555630592605 1.19263211210535 0.798019011818056 0.698798056304517 23.8277226467375 1.33709243741353 0.902707077035529 1.18011254936621 2.33892350894465 4.34807513733037 0.699737832324566 0.905809829609657 0.157121600304308 0.211531648449183 0.43042487572208 0.162230700095842 1.55120474064792 0.691846697172095 0.213254571152606 2.18337566054694 2.58754647602639 0.428545323681983 4.34854502534039 1.05398864064382 0.894562351528441 1.17575676209868 2.80922173866022 0.31781584119277 4.88426210800712 0.167608307321676 0.495082957609389 0.245557507206814 0.482216976382534 0.399539062237786 0.946011359356179 0.4063636261929 0.233116662750933 0.313213922110468 0.603134824295448 3.34706450518182 2.34648646834409 0.389992131240467 0.648497663612395 0.782348619610739 3.98411331013727 2.25758067343156 0.439375123532066 2.24264867666857 2.11392919608128 0.867443100664183 2.97516679159721 1.0566886320665 1.80169234269007 1.39969196230454 0.657395701643489 1.89028487892925 2.14523268779671 6.11890404215567 11.8782617127045 2.42228760875483 1.58290353497496 8.82607803870236 genistein sulfate* 2.1578805676275 0.993277552815121 2.93360141181303 1.57040331114721 0.330992602730927 1.57212089541173 0.545562173814611 0.0674655363069639 0.0560570022286568 1.00672244718488 0.790727106707103 0.883399738397484 0.0307325465169159 7.4427152739313 2.4082117338918 0.714385006107892 1.34236505643803 2.22477833369744 0.0623103811385374 3.48137975582103 2.75261488152711 65.569052721529 3.5946171625045 0.707177004518219 0.0276866246581057 0.08440827476694 2.42582281717529 4.17986751491214 5.85017948398774 3.22213288207212 8.41923960691829 0.15250520621314 1.43161676888451 0.130699331518869 0.338807903351153 1.55695479425786 0.771636483526835 0.0666489481599106 0.0865815954057482 0.0452387120215583 0.116640705689996 0.0357851036700859 1.16220709794409 1.14726164963784 1.29302216046911 29.3455734572283 6.03400607587782 0.703781779767932 43.0246338829435 2.55302061290333 0.33217759326607 4.13737135859454 32.0082411242056 5.39273518794514 0.0632752547596058 1.25448911825758 0.153303211871848 15.6133763511763 0.0632685262127365 0.0430640456733762 0.279175483866627 0.29193550014971 0.156035001900815 0.41893682230917 0.539591779061435 0.0756853866054818 0.372900104628904 4.72577605377455 0.618506868164217 0.0439387567663949 3.21085583751905 0.533650472175777 2.17087952200403 1.93487708627006 1.70140054703086 5.73785312255039 0.0821663229500641 0.249289970091609 0.0981910301741684 0.0571051772803886 0.639800027587042 0.0421852974522357 0.0348928983552067 1.05953754697367 1.70511605061213 0.699300567552928 0.267973799038491 1.51422717592795 0.341148091952322 1.13517987087919 1.90519073748238 1.0116518246137 2.60286030527417 0.0687321062706693 0.35260411585212 4.66662943537399 0.061097896992676 0.28157622938962 6.40838780652736 0.262981217261414 0.0649466258019587 0.363481484721152 0.0487577420342416 6.27011347694295 0.08559249901595 0.0336238944156425 3.4455610094166 4.44706887677003 0.0588384509539397 0.306228279409637 0.0410710500906672 0.0619012854888794 0.988348175386303 11.9638475176709 0.0676003646872403 0.798324591829526 3.23857341349276 3.37675623483974 25.7086216235311 3.4629717972958 0.0502191824142699 1.04483836348283 7.31467058716664 1.46632530505549 7.84520170501378 2.92622484785073 1.45517206576482 11.2220777079878 4.82409896346736 1.42845569756528 8.073567240051 43.9711304968023 4.51081378410112 1.0866872335916 0.697448871454476 0.117570590867343 13.4378231805168 0.0797359718208457 perfluorooctanoate (PFOA) 1.02502268206516 0.959447833598577 0.715096822475559 0.607638239261148 1.32997453502745 1.12358222414969 0.064081237411356 0.469570023194809 2.15825231850238 2.71443456096994 1.255755843127 0.172631064761504 0.123803760799912 1.8627600022232 1.10398836423757 0.797481840648609 0.883953153218035 0.555588868683564 0.642958852894185 0.377285526298279 1.26329748301487 0.582638258831523 0.893793138000111 1.43897213256816 1.57122716430739 1.45682031498911 1.56504292566154 2.24103813796488 6.07041264528068 0.97497731793484 0.409233772831778 1.83021211938555 1.12492396909133 0.960730084598819 0.838138891393452 0.359886954709457 0.685981526673101 1.27673333402312 1.19501199480299 0.886359034089481 1.63326943002884 2.01330292383485 1.68473844234587 0.982568735468403 0.855036560869006 1.59363854182218 0.580056256586795 6.26042247129894 1.79016854804499 0.886761078009824 0.763188740405266 0.383218805013133 0.696813062879965 0.68067957247359 1.24700425545752 2.8057004506735 1.40816622151142 1.93486297249399 0.426605552049168 1.08700112187991 4.18688243023725 2.24498368913728 0.893134656629364 1.17397563791215 0.542134055041586 0.656898378964826 0.133599785970737 0.222518006985513 1.31712544509366 1.28889368451082 1.62969981213315 1.93426729712672 0.731728803638498 1.48447031452546 1.85636685325249 0.771819381768786 3.33544800552219 0.589388996708265 1.8209751634412 0.512739027674516 0.142595518688391 0.626663789293511 0.996362389382493 0.372094604481903 1.12310525716769 1.51975410284343 4.74790811522697 4.06891653597776 1.49972581195874 0.582982899830462 0.671194587779343 1.18472735657601 1.44893524875729 0.920755960818455 5.90181850968822 0.979877110545819 0.34714423177832 1.03639975581744 0.867865013753745 1.13554940336387 1.23065052775655 1.97478948123031 2.8143887380403 0.29255051046275 1.94201403310654 2.79207382235867 0.896795916889244 1.62156137895152 0.782269567492384 1.37999210693186 0.529177007226444 14.4266513732313 5.21923218479831 0.748404757716804 3.39952966773731 1.65816511293443 1.51754729558949 1.08531904106613 0.835009748086966 0.772137173838174 0.766737664863874 0.786164367970698 1.52330302730203 4.9165936237608 0.975485667577671 1.50379059424161 0.726684039299793 4.35147063822994 0.431505462328337 1.71129846883347 0.852081833675021 0.66705294415876 0.66046799686051 0.278161181181388 1.26472079380025 2.59524671750354 0.554814697661494 0.628115286094158 0.306502321360209 0.512141874204596 1.51116484835406 0.335360797465941 0.670625518259741 0.186229108866694 1.2141903766649 2.50940886240786 3.96734871249869 2.45048430033272 0.951892193105243 0.52553644040364 0.676815812150891 1.39032256634094 1.43241153925176 1.55800148697126 1.47045051090618 1.47928217422987 3.89615294223723 1.0823140583821 1.3588419361371 1.34187923014502 1.01661091756178 1.309230898849 1.70401437898256 0.847697781220115 0.0763026149113951 1.82392989063519 1.41514286601147 0.910243694783628 2.87840831994419 1.72881694142131 1.26841900662633 1.042235305073 0.794913257546084 2.0018476283104 1.21977760467553 0.646032846397051 0.650647482865095 1.34152152930412 1.26491738145247 0.70031173184853 0.630781783271721 1.58857751835434 2.34531581880235 2.74197501119663 2.0890261225081 0.82332830285732 1.48604301574327 0.718894438343165 0.461821347645309 2.1809522824122 0.768348796750539 1.24297790384351 1.54902644769069 0.533269873459632 0.206377126065897 0.701801659318033 0.528826696898793 0.402524303702795 2.94942671788785 2.29392366782304 1.6932744851399 1.72389633770507 1.48253695626147 1.05375120280603 0.368479165404121 1.40719954237942 0.429004512647385 0.803492165316913 1.97007433378218 0.902986210780394 1.68461428172341 0.48233889050659 0.954971080921686 0.586508174646697 1.37192166647205 1.3911074388472 0.467361276371199 0.112124432593346 0.311649074781647 0.894660058562427 0.95502872692497 1.00363761061751 2.19151628203972 0.703776404456184 1.68672205609991 0.409162462696384 0.965291193612232 2.51455709393195 0.945864490505408 1.12288649797574 0.886283650854417 0.14046261656687 0.47498976413916 1.22001705730456 0.389144518530234 0.0841542961792525 0.852962782853418 0.741734080464952 1.19748190432833 1.88387286543501 5.85427533800512 1.56590342372916 0.0784562104699923 0.430299330567311 1.26268544645351 0.666353801606106 0.990058281587423 0.737379590063012 0.448435650062154 0.141189843069842 0.613455464028155 2.19694387496434 1.11444209754591 0.60538206736305 0.420020604750918 1.44771433596978 1.58919240905604 1.88534209946744 0.810668353674489 2.22499530702409 1.49817380417801 1.82959693618883 0.388653788450993 0.680698787808018 0.292946641972498 0.675748622038806 0.657251645497773 0.799236707792409 1.41438312125024 0.713820111951495 1.26222575652989 1.52389722456666 0.115494506631508 1.10163285999559 2.55471862098935 0.169327005083195 0.356641041293754 0.211241561881506 0.745257877178539 0.864860031069718 0.99588200602179 0.486455406382152 0.626821946276881 1.44550457251054 glyco-beta-muricholate** 0.193581500669023 2.52513397605242 0.658661268741208 3.40132843860432 0.997459772875425 10.1905088002196 0.682639036607541 4.82457336947199 0.264717466634645 0.207298178200158 1.46118502761862 6.26759803753388 1.0997330771606 1 3.85407623426082 1.40314680756167 0.898185061927471 0.0958493155384774 1.06667856040073 6.50848732288057 0.0763824750403129 0.359529282601983 0.632796514221018 0.712117631532911 1.75838394750653 2.03771894018678 0.378549002396948 2.23413978412122 0.283128370228738 0.179022253867803 0.263311348521166 6.54639982076598 7.0955587405741 3.61412511393944 0.797839984531859 29.624437208246 0.311999165211413 1.81429329928705 0.891370066077199 3.327479582974 1.25383404280133 0.599258511314148 1.23251931215876 0.405397276502236 0.238758743029362 0.160635421430128 4.03479718013326 0.118500081330506 0.683430981091425 0.323066252136844 2.09098274872557 3.89289232761769 0.099726545356335 7.64904812617584 1.22823795157612 0.623537969069855 2.67337362006684 28.5497819421725 3.14579030233465 1.03896191583981 1.07618059668969 0.909443852794854 0.223959660069177 0.344881242116312 0.502757564504298 3.80800476320547 1.21518517268154 0.766655106481581 52.0162661011383 0.197043866298787 0.0766685797238446 2.03457006853246 0.397653998545258 0.647746838084774 2.0226927456258 2.24507490079213 0.462742955704031 2.1704902234594 1.80229321335294 1.71826805920861 0.135831151732033 1.84810223704927 2.15095555671498 1.67830562469501 2.68118748676461 1.14192940512106 0.133701213205619 0.217229177088736 0.334081164775605 0.606716365232283 2.65274636237804 4.69998250626859 0.110845806568436 0.250494888454444 0.42394983902698 0.248674926572364 0.278690486786095 0.872120823371625 0.570347818347548 3.77433393384914 0.637892036055501 3.27700249515853 0.111306167921407 1.29092689154807 0.395720480862779 3.89989902740992 1.122449981739 6.10380534694366 2.1922530391522 0.782869033333231 2.91872780674644 5.19890986431616 1.29031921456215 1.34530477456105 2.43742615036629 0.788172396119461 0.715318677473905 3.37025022174072 0.984565618372715 0.477293443533611 0.206073086968398 1.73524925498188 0.893389517878901 0.0966513315184866 0.911957425782077 0.650091611909241 0.169290214865989 0.21684247355224 3.77604954715788 53.5143832232047 0.71310280482827 17.6159911119568 0.106153189843815 0.237073820477487 0.157440513640507 0.295524366926413 0.536354736044146 1.02664878418567 0.250270845929332 1.98161009848664 0.225699825983409 0.956167461045757 0.210314549567107 0.877685057591205 0.857895657564811 2.38384929610749 0.560385598669249 3.17068050615196 1.88398586997554 3.05933444024663 0.617402886772591 0.632508877301423 1.37219294665026 4.65264508288039 3.205753903097 0.371382710669028 0.396570614827932 0.109673419656202 0.125525195576848 51.1214157032327 0.841224438435876 4.61076447606274 2.25623712906384 0.147579573459861 0.888779766197814 0.0805724439970414 1.51314024755165 1.34347253637622 1.90382437521292 9.98311394557301 0.242337285279792 0.51220417946727 1.01543438162729 0.529618114912332 0.865807734684545 2.29781082831284 12.855965208958 2.84419837277607 1.95075054245913 0.976147143764712 1.69158551519039 0.199084801630293 1.35926599985882 0.229984255641728 2.33646890565968 0.106957287673671 2.27198148733546 3.33471032529133 0.957791002083902 1.69378604245759 1.25033222744306 1.1414444911626 1.66373672241131 2.19454256961431 1.89094346455678 0.493043939956603 17.21488747234 0.819314307110128 15.5647498242954 pyroglutamylalanine* 0.733466426520264 0.525168355648142 4.34862458317963 0.549407228985381 0.285947818790733 3.01577588264653 1.07027898935978 1.93718580242895 0.433652322982445 1.89385818342267 1.06524459489761 0.852642695426368 0.694717502477414 0.797242656366411 0.73806682145983 3.18516589631751 1.3499338150728 5.44496524387157 0.427431663158504 1.61833358649972 0.481283770587852 0.503367112962842 1.07549421695636 0.808099877756801 1.55038372791123 2.86194475186077 1 1.7517522730725 1.23543027436003 1.017801213752 0.560213817098135 0.755159169324914 0.581378527150287 4.29279777792244 0.729177064571896 2.06389358723541 0.821254289234628 1.23067139494522 2.06580138580368 0.574379855060303 0.692000936234483 1.10503049386369 0.781252346106457 0.456484969461974 0.551406780634078 0.622746081726204 2.92274740658632 1.69702215607735 1.55795600581172 0.466757051567972 3.29614598192008 1.17746501265241 0.499127800423072 0.4418673461727 1.39861949575824 0.622410450496602 0.532337627352179 0.487301215779967 2.22260299683358 5.91838861680188 2.21118270262631 1.01305870455178 0.474079111813778 1.22357014471889 0.526190276409982 2.53159570568674 0.552139869898737 1.22632585376194 0.516757272377991 2.20178502819744 1.40219661807374 0.550320395338259 0.900931376662147 0.812580871669633 0.870812890005697 4.76118513153653 0.892938053957136 1.28007101250226 0.587036685376636 0.855568166261112 0.300981721346588 0.709842385808098 5.15889930621492 0.669628465061231 0.267904380429166 3.57095729975843 0.802397113571425 1.64975114710805 0.630421438003171 0.474335251436369 3.3498469786565 2.3859229196384 0.529246287079523 0.990871713794885 1.78715680602723 1.5279081783615 0.571456330402448 0.374988407473978 0.791727573430372 4.75267952958633 1.12624592053489 0.934997946466819 2.73980188925053 0.979981363634356 1.08434501123923 1.5120805161655 0.683442339879614 4.61366637372537 1.03411514800896 0.95828015492031 0.747971859971118 0.619221953815376 1.79808248579088 0.517914316880043 1.50442282469009 0.768772163805705 0.73635725294671 0.389120248720406 1.78390648254055 0.786781428994122 0.802193968353508 0.844474670882666 0.819231669456233 0.633433286668816 2.86009918786075 2.07641793154006 0.741374056589192 0.475368642327514 0.471597207194874 0.417966869664678 1.17210374537955 3.23147514341611 1.11849107265091 1.46336099346844 1.00912828620512 0.371517273967824 0.574415184663419 1.8316632735527 0.918613843021741 4.45005498169485 0.978064732665309 2.56889493417653 1.31525929720587 0.495497683702896 0.546186831773679 0.808482637708169 1.42417163121194 3.75830135268218 0.51020363099996 0.387671734992647 0.323018561290237 0.676120279633809 2.89107441739276 1.15589628995005 0.843043821956465 1.7246587381149 0.800816113831981 0.82897380751549 1.23215523827609 0.537822548235949 0.64238934105874 1.85009649397851 1.05654061358688 0.521350120783081 0.722949668564161 0.888274546345815 2.607006743538 2.41925640017842 0.760142908244605 1.26156713287022 0.589121131960484 1.56639978095646 1.2838424476349 1.37140686895809 0.651301233444769 0.639933933642173 0.814382681428553 1.02309231183674 0.984026603191147 0.463383074470387 0.366182503897297 0.968048790181903 0.578796055449812 9.2648174563569 0.267445095588657 1.43902772932225 1.32864038438608 3.18077716294455 0.704852079367953 15.5763980586383 1.79525611754159 1.88789916931271 1.66921775842501 2.09331431423032 3.5394432937789 8.00991878607484 0.386920980926431 1.24084632064265 1.61875825277448 2.84428035806553 0.643714201175593 0.517984976086275 0.471685531202664 0.679927044369565 1.86892717243938 0.840765062555479 0.499136632823851 0.553500059618705 2.75108969744611 0.819911764316218 0.935024443669156 0.7332040858686 0.836693325796351 0.921184071648435 0.5224365060789 1.67371345042153 1.38625413466762 0.835783588516113 1.64301202531366 0.52000759586467 1.02670476375536 0.679423597525161 0.367136403181431 1.61495148803872 5.02258003259156 1.50497043353839 0.437353989374622 0.547273217069498 2.79787492437257 5.87450924973172 1.4122743873626 0.713498999730612 0.618965814192785 1.7928537045297 1.99901077111275 4.58493457399123 1.90340886508066 1.5248786648943 4.27603018914586 0.913906173406524 5.1234195522856 4.43969457558106 1.23699539390299 0.984424061226202 0.56640419715685 0.88354921192904 1.02455849036606 1.24310741524207 2.06403490564788 3.63688233917302 1.45919210030074 1.24604860470149 3.50809710341417 1.42491355287738 1.84098145637457 0.674795419516956 0.771863504078361 3.27963822486409 2.17388347413652 2.69072023812153 1.65066088438829 0.621112087582086 1.74592715919078 0.806989961976515 1.17997341447366 1.12843635592809 2.00497264163859 3.87176237308944 1.66590560813288 0.554842584537116 0.555655165408786 0.608252112047836 1.34864577215056 N4-acetylsulfamethoxazole* 3.58647620883785 1.08583312413325 0.116581294983233 0.914166875866755 0.227016841178855 0.616969048216082 11.2352794382713 1.09934937670204 1 6.66959114157768 2.98497275710727 0.00276462281689755 3.53022194948896 4.81266865810596 0.000102633824896439 0.450434863305815 3.24076205811006 1.09737867187475 7.27874102578653 0.659782374100149 0.695957465028285 1.1466008629916 2.56040518338091 0.275836565705571 4.08042617200743 0.00163304958261674 0.0100672624614237 0.292754824220704 0.0177005761800576 8.00978552193986 0.00010033447375964 0.654177125421403 0.681624131460557 4.82009903775173 0.615396623851836 0.00273987756711276 4.88156140926864 4.41058490831989 0.370657114541832 0.000759691302993377 1.03132678615448 7.17053624645793 0.000106103075935048 1.02718441018274 1.80823424275979 0.0355042186746031 1.31353458938807 0.378083250189024 4.73784435575787 N4-acetyl-5-hydroxysulfamethoxazole* 0.960764480987764 0.44970558943267 0.0044923915132574 1.2065042178572 0.124798999144068 1.09174173393645 4.53770051656555 1.03923551901224 0.598184029802148 2.64647482832532 3.36333748683361 0.00781246420596805 2.27119399007981 1.47512011135279 0.514962704928891 2.99657946558956 1.14527356539623 5.18180775291179 1.5096826902712 0.16834320978402 0.687098048583802 1.94786518666393 0.124764369443922 2.1776078534289 0.138152175700565 0.70050612913348 0.083116279245806 6.69756861426115 0.612197506053902 3.6195005675806 2.58370650242837 0.89834803688071 0.0106215161997245 1.08543868180619 2.39728942440862 0.0263427253700706 0.729579288278026 6.10314692662855 0.0642459588697011 0.102130334620788 0.00138325569599733 2.19326049299245 0.914561318193807 2.53072459548635 resveratrol disulfate (1)* 0.141407819039792 0.705406273301729 0.253996331593471 4.19163886333825 1.29459372669827 5.83911261572625 glycine conjugate of C10H12O2* 1.84678717345549 5.09848180017333 0.516095084808716 2.68167326977838 5.21046644793859 0.743817320787421 0.679158412777021 2.04304661384177 0.97175622136932 0.675529280673517 0.401982481119227 2.65910919896001 1.52049028104494 1.96806518509348 0.334800978085923 1 1.61383403491395 1.87381608270397 0.838174755478519 1.93557323263588 0.804452457595642 0.516969481243036 0.494150055713755 0.313888424588298 3.72048043171996 0.605681447344333 0.881643146525307 0.938346187826834 0.514792616824662 0.374754252330126 0.29168955005293 0.943066134976161 1.44595939094375 0.837277235209373 0.788016269092704 1.11303994842284 1.01468516440221 0.511823746189419 0.635203005484053 5.742289293759 0.754101100790372 0.522266529764321 3.66380922817323 3.10887716198254 0.564308284979743 0.852328533791797 0.396714343704482 2.71856220699316 0.311970199861506 1.23681717965249 0.707976153521654 2.77565526079101 0.244418443611357 0.541512452541847 2.36419207717472 0.427581046984567 8.97868462316037 3.11671720910241 0.503601646011923 0.377532096436559 3.03785509045902 0.402110843143342 0.805598669181849 1.85192260241808 0.332823929256509 0.40083733295128 0.967851827089154 0.470084449644611 1.50879120004457 0.946647882391334 0.967533449541138 1.60654902616268 0.665974195499733 0.725447121468994 5.21344030818947 1.35473626399866 2.71415267795315 0.305061407069574 1.46243542905354 2.08335920150911 2.90735213352754 0.985314835597794 0.749715450066461 0.97858115045727 0.417599910854286 0.703566624481642 1.46380445251001 0.959701361859962 2.0936268774326 0.613585169973813 0.470084449644611 0.354728304559962 1.81139314055573 0.552464640193574 1.31353024984678 0.632719660609534 1.04056925905585 0.708175139489163 0.586650429411718 3.44958889499113 3.59837468261738 0.776371610274043 1.48425225053129 1.78442656223883 1.16820681805519 0.340043140157756 0.608865222824487 0.851954440172879 1.26028160494122 3.87646155193136 1.22068339740682 0.607201700136106 0.965662981446548 0.786304989772121 0.22576947873636 1.6840659996657 0.657354123387219 0.283865421810454 1.14373154405151 1.17800488709536 0.928166065729045 1.11355731193836 1.32152152630197 1.61054466439027 1.09957257814179 0.906333325373895 1.62053375995925 0.42598119980579 0.768077875148245 0.903014239435835 0.732785723950747 0.620024355882423 0.685299712664263 1.88439711231564 2.72858314031695 1.4386287479007 1.32750702420465 6.35460891297946 5.53481060515613 6.49219577035427 1.15103830877847 2.48362345487396 3.2868661302005 0.784935966315655 0.818182541767155 1.19971027643131 0.516495936706544 1.56824024769773 0.616347095202846 1.30233131959534 1.57602457874671 1.47072916417934 4.3637622674849 0.617907145188121 2.91403010259717 3.68933514808536 1.10889308085994 4.19990926239881 0.932822337368769 3.44797312893495 0.836688236745545 3.28214618305117 0.565000756146677 3.03901716850928 0.533210757977347 0.874169233585648 0.436686644857805 1.81269848850259 2.87708238814999 0.540812021936213 4.02653676862708 0.24157692399532 1.85559986309765 1.59211856379888 3.33013363897578 1.09586347970741 1.26976129643338 1.07436503577768 0.59750710379904 0.660179724125855 0.629472209619778 5.88709536203507 0.822297571575253 0.813144217069812 2.9687990002945 4.15522497353487 2.82935759370249 2.32605840636118 0.546105048671968 2.57532414814107 7.97394079769495 2.02769088723863 4.79908784832494 1.41764766748649 0.874989055771787 1.55236912692917 0.41641395448793 1.15910917962065 1.17190795705087 1.85728726410214 0.543717217061853 0.891409377810677 2.13085317223429 0.550673766485987 2.67210296329903 3.57054052548214 0.936817975596361 3.02398974824295 0.386311357323082 0.3970963967621 2.19674140579606 2.14089798387418 0.97858910989597 6.66371371490883 0.705914658898255 0.646680516090005 0.907256620263139 0.709313339223318 1.89143325612678 glycine conjugate of C10H14O2 (1)* 1.49905568537362 0.611622406684833 4.80436988101793 0.441158233050854 0.917498299918112 5.26976473391155 4.25794541751013 0.667404026235695 0.153067326398367 0.664762785325808 1.77521998507399 4.3309866155038 0.933904287361962 0.715809420425912 0.679829218688121 0.768362856642468 1.185054110727 1.84911635186883 3.61908383336515 1.94876560643617 0.62371626067186 3.65178693989994 0.373055555993834 1.027887654171 3.42086296314412 2.7755623681549 3.7039222585292 0.972112345829001 1.70376447830759 1.73373956481059 1.58616299012454 0.40556774846046 0.767247350475629 0.627502985990694 0.743869055038475 0.600295364574869 0.115793529912983 3.72198258321804 1.9229399581107 0.28226614158319 1.38241346835796 1.19708734800179 0.528230434356538 0.277824745915295 0.322722040716669 0.224928288235617 1.17763589524684 1.36747649332379 1.11927489315902 0.184391002270527 0.716029717820228 1.51415881726663 1.78207928406164 0.396211027749588 0.563047388728422 5.82142400380027 0.931306192209121 0.370994397596265 0.256589426687905 3.44634199411025 1.59184503947261 1.01826220843998 0.312106872536595 0.445018212379768 0.755062177878395 0.338722027429023 4.66550676590324 0.232394284319083 1.68319262269895 0.806086738431028 2.17667254091349 0.483620484899421 0.627097164250253 0.306403150500861 1.39529584113291 0.951299116537638 4.39334754004149 1.62201297870821 0.483441101678728 0.112682559798559 0.735278533974019 0.743751069240262 0.325894466193737 1.6784074091914 0.316049981480343 0.379141385536065 1.28438552111656 1.58349375397591 0.265706412784044 0.415557840292461 0.571078109765922 0.374651822151502 1.20552998606458 0.403050843516376 0.263889327196655 0.158068175589598 1.79414446660898 0.968377063529896 0.408973811710735 1.18185970571186 1.02474159680964 1.07381619531511 0.290595834655177 0.542647530241852 1.22084067614187 0.630767876451468 4.44009015667796 1.78815506018473 1.90822555114664 0.41202498741826 2.01436228434566 2.00757728011853 1.93374115333445 1.01110515012549 1.18620974881366 0.271853610004269 0.807297575170705 0.31557328718091 0.927044179761918 0.717607625780026 0.346746104643534 1.86205264233145 0.94437127011625 1.6045530118941 0.560627376204816 0.62977960778191 0.7160463273777 1.83062403768376 0.481130712234434 0.97603739143578 1.08904217664929 0.371851450761797 0.69501530570721 1.47426764308719 0.625969375297934 0.606109327429189 2.07984878658878 2.6376409113332 0.681717693995479 1.53314021954513 0.967383811993097 1.32403751766842 0.282591688909632 0.642426124840756 1.31369308527513 1.75098951438637 2.7036655632384 2.4197683631115 1.57794782273616 2.0924803550459 2.08324045822447 0.295922519736307 1.47798320109357 0.501195057660079 0.322383205744249 0.575750378282671 0.677560321760347 1.03564411033397 0.213678634960129 1.22187212966085 0.919530015961785 0.976067288639229 1.16768843127713 1.61525122786154 0.64487105170057 1.22563087251666 2.45377643203452 0.495856745888719 0.746272400064445 0.638506269277468 0.749561092443814 1.11104651838761 0.422042211529358 1.30061638067777 0.782022811566232 1.37989047657803 2.8482401343381 0.848721811504776 1.05236661279633 4.88066199052259 0.609037592411425 4.28771407643386 0.202892388338097 4.59749893283593 1.65257290350013 0.269245909481234 2.06620735703739 3.84560253661162 0.67657205309079 0.796047921895217 0.814393178122555 0.599143279025617 1.22697790762761 0.786344618420332 1.42916771168466 0.490317458471954 0.540297277859626 1.00060624884771 1.6192724017254 1.01200206622895 2.05190320614288 0.630698116310087 2.60151014096531 3.00593957775183 1.18859322031083 2.64608521035174 1.06624888093107 0.869227971159164 4.56872121356071 0.57682003378384 0.44369110873779 1.48491436942646 0.161973082551162 0.459855530069112 0.190318953332126 0.310914306310137 0.160900105138499 1.28290228763435 2.11117441198014 0.645234801009197 0.984335526348571 0.928426094943552 1.5195502796219 3.30565738137039 1.21843062935274 2.54888608002817 0.228836517108675 0.671261977567132 2.38294497419705 0.217963900787791 2.12975220201208 1.97173219413915 0.933874029794224 0.841717561119019 0.999393751152288 0.966340731783883 0.620692518889219 0.569530099009572 0.874180941197184 0.499326482444528 3.25561776757582 0.696732733949769 0.857426880575621 2.04628419285025 1.10670976293179 2.58601674575584 0.404781559404913 3.30931480592563 1.95763898462453 0.817798137404225 1.24698245864635 1.78187166459324 4.48152103683502 2.32606056176845 5.66535561893025 3.51722992444312 1.66614623386589 0.401444699308876 0.547567281164928 1.24098973031062 1.19951068243689 0.86451750066023 1.24233012159857 3.02854850738212 2.52313794403576 0.945357877830061 5.81699589577835 0.15218008746593 2.48647732878453 0.718127504928886 1.22719549283048 3.15847178783616 5.55101708625177 1.04112692525533 3.06188388922754 1.20729724297956 0.9358738205138 0.4986421686767 1.54608903054996 1.30660910901351 1.63379579877853 5.95249998754283 1.09105525501484 1.23873249145023 1.11244836503821 0.942713636280589 0.612812944824711 1.77045591574304 glutamine conjugate of C7H12O2* 6.94357573406068 1 11.3240143891326 0.289551003099664 0.118762990389456 9.33974348803766 2.10966088322388 0.0817235226835098 0.239577759155115 3.2256436958839 0.25217906796615 0.212456782840354 0.0528298675467077 4.68651927517774 0.530023034728062 9.77092489409362 19.1610692902506 15.4399878263554 0.522940973689638 5.3186076466066 0.452972806904937 0.132066735804506 5.52492928756774 3.89201876241344 48.2310670257219 0.43844953346382 1.25798967548006 13.3157632831916 0.513665060341756 0.349653325179107 0.307463136502039 18.6277843245574 0.066256936020574 0.990420704800684 0.306224516215557 2.82310225551865 5.92956230756192 0.479173845744057 0.698928121059269 0.0717760276868687 0.159404389590602 0.132561780423611 8.07068729149631 2.08342755387335 3.67143171137408 2.48037527404673 16.701830641451 0.129787319250234 0.308374048403591 25.599745557975 0.0887897425963145 5.65684367089433 0.343513963577164 4.12674137253405 0.20497624152248 4.78993538364679 17.8144445210213 0.230393435172233 10.5355152451007 1.67754223160185 4.79996218760536 1.82464269149743 0.824713007650025 1.86742192113042 10.7228062757399 3.83635382342916 0.0317065311132677 0.128275754804316 0.466130432272041 0.16333045238898 0.436537111095796 2.56954453759912 0.663396577512615 0.182637125810964 0.0573085957072687 6.06442263453669 1.96630552414871 0.116814687600701 3.49942489769233 0.161587915680223 8.28975237538208 0.0582301564092009 0.209466696221182 4.50649795757189 4.24409297751187 3.52232048891613 8.28019869202643 1.76191462967137 0.767986033628816 5.47329057242005 0.719062755536349 1.41345385490844 1.59244478552176 1.72538049886283 5.43210067410373 0.348447736006154 0.970605519864546 4.75449231737824 0.449809634151112 0.69003103224112 0.249747606922462 0.113566174484643 0.292980399023211 0.0572494556319047 4.54037590735777 0.160048876711104 3.46217922329989 0.406167983891547 0.399162911815163 0.177289838524311 0.0584299287897612 20.6617373957132 1.90728791996439 0.390041835782447 0.108108523435303 0.350893434240893 3.03192958698807 0.175472794633993 4.09326063915986 8.94909157118882 0.322230987164275 3.37781241326898 16.2449544667987 0.104835329815353 0.722248403217965 2.23683271833864 1.36060265133806 0.308055530202417 4.50635499691727 0.85652990252598 0.619713016963423 1.61400623252574 0.655672976804052 0.0622111682539801 2.40562361579627 0.161815628253868 0.443334960073464 7.03956890144749 0.592488558490932 0.309792478872557 0.531978482325965 3.96178247255807 1.72838500095928 13.7500670564634 1.52995561234659 1.00957929519932 1.37819239989495 0.385981660057259 19.7826662767458 0.397133522457396 0.159435123802996 0.87919452148694 0.862023410156447 0.352005919595575 0.452730781338186 1.91154414271106 5.91493142545277 17.8579106137343 7.93052438154383 22.2614396463889 0.822154151633291 18.9823278278735 0.817245059708193 15.4130552414871 0.0372456743924405 0.246885599810752 0.696740403940685 8.01405112310263 1.65293204386238 0.291317026194862 2.45950348414208 0.0723394882474235 0.507295650084473 5.05241673356791 0.0405277157402009 0.385658485157238 3.01767776016511 31.3699956785835 0.575432467621973 0.065143025848404 1.11057238279555 1.72361980102857 0.762521863201089 1.21721823712283 1.67447626108062 1.46559072087561 4.42158212274686 0.149877249418378 1.09046289449224 11.1600283872362 9.44699279701822 0.050792011339993 0.0915516306828024 0.467122309126571 0.320775768774413 3.45983457543014 1.71906787790508 0.891579943411796 0.0621268820048393 0.524095156846931 5.48843601975185 0.829718493241267 0.0642675664650627 0.227305112496531 0.292091435213212 0.420925062539466 3.57868330908746 6.50810265599476 0.120892093111625 4.54790578939428 3.06272480213687 0.142867054973261 0.592889034591822 0.33482782321681 0.841195858890849 9.36499950638992 3.36626519713669 0.474411439832657 0.471566196836798 1.15643853809459 1.09842072715284 4.05337694487027 1.3698848491509 0.0260709941679504 4.24670026319662 8.55620821776959 1.5802642583462 0.3541251832411 11.8710443671639 2.22401422342096 1.40878272029445 2.36776279148606 1.79519885035419 0.029738144510404 0.0773198276648891 1.19180616584181 0.960237379880453 0.35972579494506 1.45142224896202 1.43667401804191 0.106559705398604 12.8002699953992 9.286281737731 0.425005262069698 0.0701228995959848 5.36703541512608 3.67958279703685 1.63384656363565 2.52424463687994 0.292721952237171 5.42898347989517 0.327225762348168 0.320268654269914 23.2097749696849 0.454606499633984 7.29137616627023 4.54606453066995 0.274638593602441 0.23841413326727 0.0274372696098245 2.45330867766517 glutamine conjugate of C6H10O2 (1)* 4.26764910541232 1.8370091414885 12.7834533383904 0.418706155348562 0.772972432185446 7.07203887148459 1.52892216445123 0.137965996410301 0.427459406833569 2.04077533918476 0.782305052755438 0.358754894026227 0.110366824251076 1.97206634671955 0.262826007101751 7.91507464603237 14.3531777199736 9.36846828551547 0.423351560563481 0.830706262860351 5.78421637344817 0.859116253094697 0.775576606629296 3.7654301815456 4.06347227241098 19.9190585551013 0.607625273632435 2.07791170295687 11.8011614259647 1 0.148903827718331 0.398813487951214 0.277595439110997 16.5350981194396 0.252510848238151 0.638713073000898 0.59923449563319 2.49177848804239 8.52031069889956 0.45379360786557 0.329554818934002 1.04433649081234 0.16782410696305 0.227079037461036 0.112531365787786 0.11675547719857 3.6158986707454 1.73958519942525 2.72521778450978 0.98761429748666 7.17302548427788 0.160510056202056 0.180203632068653 0.228207032113872 11.7338093231909 0.111321829352818 0.111019136373689 0.126486129866407 6.0983171505842 0.589459365629645 2.23281784924901 0.0895637638204055 0.177069215382734 2.70297170376612 0.161856731088793 6.17464520058661 0.197228567792726 6.10345922478475 0.847705896088589 4.90679650754076 0.895572157682039 0.131237791897959 0.156240231974015 1.03238938424835 1.1136482411067 10.8090587978023 2.64435551722817 0.0725314152070482 0.192567095914139 0.452344388010393 0.222990829020473 0.0555225407430927 3.73030796848534 0.160039337732471 1.14273394769712 0.737656612729661 0.163090977154711 0.0990337298817273 0.0484481734023062 2.06758331160945 1.26013805270811 0.278958143120653 2.25516647496111 0.143606197669635 10.0059093082415 0.125165400092167 0.315885451092845 5.02141213069912 3.53442854654244 2.07353709718669 9.97521006275011 1.06255366622972 1.61802740545169 3.41404446003897 0.15294273172383 1.30895316413002 2.20514059162269 1.17399410181109 1.91949231592252 4.21986258974229 0.299458488437746 0.575980261946798 4.35548387017066 1.03007903375459 0.676802969109255 0.284436268302115 0.175801611315034 0.173821134394447 0.174534007247335 5.49025637477592 0.123155271614441 3.00580923423618 0.33209991092178 0.286940589398827 0.393447747161172 0.127946469055511 9.90937989945651 3.40779292340879 0.338155005985908 0.15954761607658 0.284999647887759 2.06686796779347 0.171180910327514 5.02416231262378 6.16784140370472 0.337122143412227 1.94195954786317 10.6918115989479 0.149825611779575 1.55202798118609 2.18350113231884 1.27075948757167 0.445501055718982 6.43521196539169 1.29329343551589 1 1.7892812091905 0.546900732764106 0.0912328993910312 1.67585288379925 0.292353234058273 0.409390401049665 5.00720409290327 0.620777587376344 0.261413069665098 0.109168385015586 0.437930024796115 4.14406826776839 2.40468321635382 5.57310529638585 2.32673915648733 0.73874877841762 1.67089860279392 0.292484195102304 10.8712035196398 0.657171167320031 0.223609805275753 2.01782552776683 0.815117599311096 0.289381900936619 0.546935326247435 2.30992672358942 6.52659435804997 20.1561796933782 5.73413054839319 17.986152722816 0.5804391148516 24.8469485459 0.889424401501851 17.8990302705334 0.200041759276304 0.378158663011289 1.07284646300165 4.43090507671723 1.00246107924255 0.362988185089962 6.67867719461676 0.245007110196306 0.895583277015966 5.36808207551016 0.169310391264651 0.377279000149493 2.24910149604461 17.8680147417658 1.32160696613916 0.289227465743185 1.36620043711337 1.97932668726626 1.5633795856442 2.13248068633471 0.798198915000105 4.96486043382699 4.26666139527873 0.249667346593345 0.633187999520633 18.8983754653132 6.5940392957261 0.0958536003785516 0.0825845285587737 0.538882457521056 0.307969720818235 4.91096872872655 2.45694161484851 0.793245869476317 0.133991680267259 0.520281047342417 3.85945161916034 1.68145085069082 0.0873102454778287 0.45076173614809 0.559897998643441 0.46653018713839 4.46082596883374 3.38872079476057 0.391573521653667 8.00502223249045 3.51250492648267 0.340541956335611 0.650772608385708 0.176713396697064 0.673096524466859 0.0751049232704185 11.3545140171559 4.3899266247509 0.322051739496245 0.744931128081137 1.32260029330332 2.83455048857118 4.90771817677517 1.83167552301023 0.0916406083016947 4.57344628929295 8.64921466615435 2.00400790213998 0.834984142594338 14.101473805938 2.03145659568002 4.8156537983027 2.48869966802611 1.54667587512247 0.221484777014113 0.108370263935923 0.555866622354062 1.74261212921654 0.927480939608427 0.222901874349056 0.738001312081403 2.1737445345385 1.58431358498445 0.212105001105756 9.24643656234672 3.39808450940881 1.51208609823808 0.190476661135828 0.302302566960011 5.24616475640628 4.90065739973141 1.67027715557554 5.23584354355876 0.403785021268815 4.19055449647332 0.34681573163364 0.464106172342263 12.968491514095 1.31854050093835 5.69021412130699 2.76378951842165 0.388531766083808 0.429685656429878 0.314625259914431 0.15127112519011 3.1467418498371 glutamine conjugate of C6H10O2 (2)* 7.17383476125663 5.77977427100095 8.47105518520827 0.377556300788307 0.575574598973864 5.11638891556977 1.1689560111859 3.95318873031216 0.222595907220812 0.413152690513254 2.14026244078145 0.831043988814098 0.266988286128574 0.0577543585561548 4.16764589317536 0.343670596188005 2.03562411841199 20.6824477036338 8.42902773855445 0.467738734315337 0.354659150110746 2.69159642170037 0.313997903361529 0.459346684654508 5.81171621962069 7.82989749503788 40.2726864064109 0.4071478060176 2.07323570920301 9.74690928185324 0.659819346354908 0.100017124337806 0.409566446989683 0.181528472677688 13.2396344359816 0.159843140566082 0.838401453137814 0.804700468951326 3.73777118319111 6.28248668843515 0.934486062849163 0.995843346281693 1.78625886081426 0.199211666384835 0.503119435321315 0.160683190710842 0.155915399815341 8.52895137339148 2.93004567254067 3.46713982561394 2.12763669014202 22.3881996063889 0.200998238356201 0.609651013520755 0.339171765430658 20.951721433227 0.231643060322209 0.148986002910404 0.0816402420096871 4.43056924355698 0.999828360797987 2.40643908991528 0.0862673554463691 0.134368884559537 4.98077307503301 0.149392475026179 12.4455286876429 0.23362461188661 15.2921230943643 1.9664009513988 3.64270243621286 1.910654888502 0.100451962061544 0.191115567485089 1.5356942059464 2.02061639273463 20.8958480302377 8.29614605686323 0.201349773225078 0.230310593917685 0.861602436927357 0.337357566057673 0.107921204745244 2.83454885961549 0.198491448604697 0.0186599281211223 1.46146350602841 0.917680028643582 0.296839599910767 0.0934142784445138 0.074698142851132 4.12375773944344 2.75526615587729 0.32993627438138 3.62810468879876 0.172932608987321 9.21417190436156 0.100162668235395 0.210808823938032 5.58737999347422 5.27481119290833 2.89126315179431 4.60696988533834 1.00345612443128 4.95919607436852 0.529838625806692 6.61151951502796 0.244551408005119 2.00330798439846 2.80079865419623 2.08602315462056 2.20952018030849 5.0823472812017 0.785278723169466 0.710857807003546 4.97423141441976 0.162898146185474 0.792536155774087 0.557406644390089 0.210898057269698 0.278526443313415 0.165287440091012 3.34273268345428 0.136292005757296 5.8707901357474 0.446708091891278 0.172107597614834 0.75976243610171 0.155441605755391 29.695888359893 0.997579109238587 0.601083978568123 0.138687650789644 0.347515558275955 4.65397552752062 0.267597424300523 11.8425250809967 12.0376415408151 0.261120862737066 2.54437762529781 13.3878637905589 0.148532532456243 0.474344385087872 2.57418409852503 1.82772409752473 0.736657354326983 5.79129276392306 2.42339755116428 1.35355500353678 2.37425126169104 0.872798203266226 0.170387077362282 3.32413912460831 0.432590807220279 0.071806792371344 0.378221668615669 6.19260204871473 0.828996069446396 0.308525673239289 0.12747473640839 0.76539239246153 5.22667092192163 4.55570708285601 18.1182519476127 0.49525769300082 1.35340670472579 0.949422325322181 0.551470881274417 18.7661913642141 0.409020187850453 0.272537330732547 0.466647136951729 0.819545275198294 0.395266187632927 0.545643087314498 2.00085486166849 7.7971380234817 23.2548616684887 14.4593061870296 36.2429645789719 1.53420677204774 32.2565848879701 0.695647810965062 26.9911654238305 0.328847691246321 1.01120195868751 0.564407809027968 13.0733420184993 1.22165353174254 0.36900681872852 0.523043872790106 2.54559005540564 0.408783925933159 0.84683638465282 10.3577723105161 0.171281633573327 3.38303471128968 0.39059302852688 3.88179409805664 38.4139070623736 1.37637968306289 0.596226636784615 1.99934488126965 1.82646371640949 0.562682525430309 3.47715205947195 1.85443788955232 1.57026783495644 3.26395552941008 0.570522356363313 0.722701388276931 17.4414076002347 10.122607232822 0.0708728591740836 0.185980046347348 0.858412901043887 1.00017163920201 8.03116783725873 2.16716705607013 0.742136153868749 0.214800507137476 0.519578062890445 7.71282967309956 2.58293690393683 0.114462865358493 0.302724554011967 0.296598574648366 0.515392670323328 3.19609437456882 5.33857237783806 0.564796815545018 5.7188365688355 5.63658026752534 0.314794870512433 1.0328119852114 0.238915418074831 0.653630661334896 0.0845087284329627 11.0690384949735 0.797781551405624 3.42539101109145 0.632887246064088 0.616686156687062 1.30284887731925 0.596326984588197 4.05563587084666 2.66106274992676 0.131737930278918 5.67261592592681 11.3414643634305 2.18791586979873 0.424349902629287 0.600291675498703 26.0384459110255 2.10023792908808 11.7931037877326 4.32525835193023 1.50618337767214 0.254394384333676 0.226261115464279 0.807064358349628 2.88883511601524 1.47698693017492 0.292348718144137 0.349134460499564 1.30984718395007 2.6020887268293 0.185729176838393 17.6204280818247 8.43500614074573 1.5244361985648 0.194099326859947 0.578723248855408 6.76013238923833 4.48472307896277 4.08410098609183 6.48658967513193 0.648172820511599 15.7912965745991 0.605616777771691 1.22811199259459 28.8599514615134 1.79388338854844 10.6238857940377 4.01259904780731 0.652644648897802 0.471024968661159 0.480196630886006 0.121761262731032 7.06500521189344 glutamine conjugate of C8H12O4 (1)* 2.74522930433054 0.662985246567359 1.85387254243969 2.18719851293283 2.22225809246934 0.584581193153918 0.248519644340836 1.28301001969277 0.696002487507243 0.97685632776646 0.499051043172863 0.650928312555965 0.664178026679535 0.446949320438168 0.926158075648086 2.83171775628206 4.38252220321099 1.32702734388938 2.02285312323186 0.340401093551681 0.95823740402113 8.53060364528555 2.36559220173276 1.02314367223354 0.647067918802598 2.81493048062922 9.29480868792488 0.544070846381136 0.491687070229602 1.64145573545428 8.17394879880926 0.419219731505537 1.63864033589811 1.53918074612773 0.962074853848163 2.4464792976676 0.345697812242602 1.04205154991261 1.61292163047191 0.277887377704562 0.321915744219218 0.370584808244772 0.264917532193583 2.43079333828877 0.571083030315206 3.03878096309541 0.883062458565201 0.984952889888904 1.54778713060249 0.20572553589007 0.355063583582779 1.75771139281194 0.512023625369146 0.821411495268899 0.873270787713201 1.00076340478534 0.415814532816361 2.50309982522048 0.333861020149868 1.62203829077687 0.340783896176949 6.35118629085722 0.518544709403942 5.05126865821564 0.673367217791349 0.45367137432951 3.92607429133937 0.270747534001647 21.8422604817486 4.49429656266951 1.39888301826145 0.499660485766519 1.44331719468831 0.601494666211302 0.358298009120678 1.64367478956144 0.808847459670129 0.481491451875364 0.190626192819977 0.574558531048476 2.45714687506278 0.348920184020733 0.952283182996163 0.305884243727023 0.270928340398176 0.165534282901742 1.09593989191795 1.0579584948872 2.62424412881451 1.88588303835105 1 2.3905779777809 1.43393535166844 1.41720875102959 1.78243365409727 0.252614661389798 4.91589288225486 0.826458002692006 0.345641561363682 3.10413644856058 0.261650963296302 0.58434216606063 0.561070373867449 0.340530767221809 0.366884303995821 0.949555015368544 0.33311770496414 1.8689113445969 0.324876951202362 0.430363420857022 1.21332744038411 0.603081744580831 0.541607569761135 0.360463667959098 0.777089820599875 0.793703919480885 7.02034272856942 6.03210719810354 0.697076963256122 0.263422865982281 5.9349217510095 0.593358378367519 0.257339735219077 0.451859292444302 1.66176346505414 0.791152540329871 1.45165839644816 0.592779797898628 0.835104566365992 0.830821463728228 0.584784137252145 1.62771561162786 1.20110091005886 0.206593406593407 0.444329710508869 1.04055286578139 0.220017277055668 0.597918717479961 0.546095586314965 3.86542780802379 0.911597725857324 0.299552001928602 0.663418848062358 1.05273118106756 1.11095485866967 0.339333427084798 7.23752335415955 1.45165839644816 0.264077786929707 0.532450730256946 0.454687908069992 1.69270546638006 0.500841754223838 0.217522148783575 5.61337565542319 1.47218594933403 14.3234746971493 0.338991903891356 6.54220222190972 3.04949273760974 0.446631978624666 0.230210739899954 2.33704321272877 0.909741446852964 0.205335797657553 0.502344456274987 0.985639954195713 8.82751471563172 0.498318500512285 1.06251481607972 2.2513490166141 12.824842798883 2.84965747232658 2.22080077144062 1.30277437370673 1.04970970528557 1.10072523454608 3.03749522872009 0.708041866725596 2.92809932298049 0.644004258995118 0.418237338529843 1.75002912991944 2.53548827771863 1.33507041404665 1.0980573357173 1.13452397693714 0.977499648432007 2.63395544126806 2.39174317455853 0.597010667577395 1.23173353155072 0.524607750567531 3.26075898507343 2.29575104968158 1.28153564899452 1.78308455712478 0.664057697330092 1.44148502320349 2.02608433613918 0.234831347811238 3.30268196154851 1.43876489141571 0.38608594330715 0.469405548747414 0.634055889266127 6.44816280611527 0.745151375133094 0.345778170641059 2.04754404644715 4.69041525202403 0.476151636297889 0.22898125640356 14.4388894469333 4.44863692066617 5.72932077063704 2.2267914900456 1.44260602286196 0.635474214998895 0.306205677320851 1.4539325391245 6.28766297687687 0.48906924884987 1.11343391526207 0.377041605560801 0.49936717761215 1.2682604415694 5.54857062498744 7.28286558048898 0.365606605460353 0.478542298651988 1.76351728710047 2.85966611085441 2.58373144223236 2.57537416879282 2.9202241999317 1.71919963035137 13.5342226329429 3.11234505896298 6.86054603531752 1.4253490567933 1.8515780380497 0.877140044598911 0.608409506398538 2.12598187918115 dihydroferulic acid sulfate 0.243778710717654 3.53595874783244 1.95539381217487 1 0.395272428584466 0.271417054546561 1.46807216087129 0.40652097462949 0.370540065310224 0.715297663903542 0.221190655614167 0.343813112283346 0.302727957799548 0.273780457171565 0.466676714393369 1.06425521225823 1.70051745792515 1.65900025119317 4.77288118563175 0.967143933685004 1.50000502386335 14.0294096960563 8.97888972619945 0.332117558402411 2.8427128862095 1.05776438080884 0.371956794775182 0.349459934689776 1.01265008791761 1.17271037427782 0.600763627229339 8.56148706355187 0.266134137151469 0.571313740266265 51.9774629490078 9.13795528761618 1.43420246169304 4.12611906556142 0.31408188897262 1.39087666415474 0.332680231097714 0.28071338859583 6.57146445616679 8.28376789751319 0.618789248932429 5.96038181361467 4.27644310474755 1.30168299422256 1.04815875408189 1.01734237628737 0.829560411956795 1.26927907560914 1 0.367535795026375 0.226234614418488 0.618819392112535 3.34172318512936 1.54820396885205 0.476824918362221 1.49842753077116 0.974840492338608 0.521125345390605 0.746304948505401 0.334679728711379 0.503712635016328 2.43361969354434 valproic acid glucuronide 0.888456512301746 0.133415927596558 1.21324743863149 0.554076358692521 3.81216987226164 2.57985865219101 12.7416113350353 0.355050191702636 0.363707595761426 0.105523704224983 0.170284862745577 4.93178601440522 1.97794666533761 1.11154348769825 1.40741235384904 0.145042338121052 11.1640299021961 4.04915173127951 0.0833559741016451 0.297604234186945 13.5000715665778 17.6641771308202 0.168720254924176 1.45701139359355 0.489783888371132 0.176063499476544 2.08002573342554 0.068798041061029 5.75351561644179 4.798202207804 0.524175046869669 58.7807438427808 0.346381724115267 2.37352544420553 0.248593909916339 0.232867922992898 0.282775122612307 3.82110653108109 0.391412600194677 9.55779914429598 9.61789560661402 0.803842217443968 0.556143447792353 0.16737871005906 0.311696603787758 0.381987023596023 1.0302720162252 0.574518862107711 19.2233656647981 1.54008100080437 1.18081207375205 0.212469053498715 0.882738190251735 0.322043924470193 1.17181685304989 0.125739038444084 1.61831970278839 0.479321007940458 0.272557691164089 14.8752578223053 18.7118258670498 0.491453914360742 0.548461203807163 1.55876783629575 0.956227328068907 0.293499591553131 1 0.228869525481764 3.09487391354698 1.36575243424944 0.280479369520787 14.6727010388009 11.8627039495717 1.37048165431937 1.53016247108791 0.238492283327543 0.942441855006056 0.20391357827626 10.2073752046147 0.915750399839751 18.3240251265246 32.0655752841131 1.14910658115886 2.69056002604044 5.30336647856202 0.108588964735855 0.763384068381205 1.61993784095924 1.20818270876956 1.86337843463129 0.243825566583099 0.190691480205194 0.142142640288198 7.962422888048 0.534245374847811 3.38667868533316 0.158928085182299 9.11679076565791 0.266067924244843 2.18741451566965 5.04466311740422 6.69487766938026 4.2887077742619 0.113033367448819 0.313457150637083 0.938601515478728 0.649632397817861 0.652114377642777 1.43683940369887 0.356234526749358 1.08742014941957 0.251504680707223 1.40922933430985 13.2447379210837 0.201595916157282 0.219065235694188 0.509434966181851 0.370641277233704 3.45469056628576 0.627421338766772 16.678491281772 4.23618557572229 11.7567440681308 2.36036907321684 0.42848736944567 12.9220007323875 1.41934504527344 0.163032897969659 4.35791369721098 0.720944717264001 0.0601684491225435 0.63847444311947 1.33772139854712 9.57396644162966 3.81733191863613 22.5122361918354 0.754551600454456 1.53707633418153 0.12065927393483 0.746027423842656 0.453742218382926 0.293554364121777 37.9687545969834 1.68307809316344 0.7199885447085 0.634784336923284 0.483829572805263 0.428891121523116 0.819037692916811 6.99368237543935 1.15484205156133 1.2624513697837 0.437402778690654 0.940535769617187 10.5093614144468 1.57553450202346 1.85650056493992 0.0766643818680889 0.081246498467933 1.21638137983055 10.458645145742 0.208182708769558 0.189916839591491 3.81366059160634 6.1008942013064 0.157688660200374 0.339333276995834 0.202060700525504 4.79485951618608 0.181578889713086 2.3331549312526 20.2932742415564 11.2790678021803 1.96492208210878 0.0746863096747135 0.519353495898317 56.4615496568107 0.658685520949725 1.25666738653471 3.14572476627763 0.421756603224383 0.416529735245052 1.04055830461686 3.12252310619932 5.01674788656132 18.1630000344285 0.593751858355008 6.04153482126928 24.5422781632723 2.83937240025915 0.735592467050388 0.231630062941506 0.518231440706347 0.318158201957415 1.81094543713205 5.30745720697458 2.00460246069677 4.41696009114155 1.81120834546155 41.7282279039633 0.184617984807654 0.295045742919472 2.02967264783116 0.72647987655828 3.74916354463025 3.08385836752707 0.493482064331164 15.69493557181 0.918263678275321 0.778512251841141 0.70622028588151 8.3318544739799 17.5869084171354 0.445576410863122 0.156053307793667 0.332962444797075 0.898000957737486 fibrinopeptide A (5-16)* 1 1.7624427675089 1.11988087162964 0.880119128370358 0.814503137188401 tetradecadienoate (14:2)* 1.89442449393038 5.15497265695804 1.00012763777449 3.52174733698729 1.57003970925231 5.21332102082577 0.514104307121297 6.91577963409006 0.634226189955815 0.354538605264654 7.21307423780974 0.836912977597781 0.517303494236026 0.902488653518061 11.9733089680898 0.630887958429218 22.8987434464913 3.70601015723592 1.82465816930464 0.659334280334016 0.454103562775763 1.96733605310864 0.681155593944025 0.570305059276631 4.0607977102799 0.999872362225513 4.60102121876007 0.890396285732436 0.450170021342068 0.891129973970387 2.07530045873832 0.415536639409799 0.642952683852723 0.760523642920296 2.25282087391328 1.62142969127728 1.99915618972389 0.438122906489034 1.09708059315886 1.1935720211951 1.42639703614954 0.375401384202281 0.672380366699624 0.554669451682363 1.70701899942656 0.318115767235598 0.27529102618816 16.3859763149966 1.75128431458307 1.73182384068862 0.865452110011654 2.26271657428932 0.247446524075984 0.232379695185687 0.556551104419534 1.10501930160783 0.827575012966404 0.0901175237746859 0.391324923504843 1.34903880732056 0.474751164325645 0.235583170093597 0.22392568814716 0.998534332475386 2.23893667535217 0.449039955962823 2.39202541856966 0.846354607071572 0.65465522618975 1.32562506019327 0.564448991889702 1.03520005372112 0.319463036250266 0.347044587641846 0.584701145373048 2.44201344618302 0.421137668309225 0.650053058436733 0.489417205424066 0.496531188729876 1.19997349287091 0.808624359521493 0.320021099674758 0.426676067861785 0.566112756025733 0.809244979770643 0.788046521778699 0.289103891158194 0.682523408003916 0.620336799582248 0.777680643875837 3.5312111725782 1.82012279869338 0.299241631036667 2.53876623451211 0.176535712613241 0.9952133426285 0.386465459885436 0.62346923538419 1.03647451648788 2.84219811251569 3.74957160061532 0.901221006723091 2.03860445266755 0.717437361445027 0.414656145103559 1.92925795059248 0.458070758130399 0.385903332034484 3.55055271782012 0.908623741021815 2.45630167233477 1.48445295028765 0.840562976079083 0.96645893913168 2.60045433219264 2.8125726847569 0.622862928984751 1.0403784864606 0.432735244143912 0.524591989015446 1.18540676514949 5.57489315418048 4.35578186753327 1.79255556115151 0.386816060846231 1.24647335900991 0.394723844311261 0.667995734119358 4.26868244547704 0.346526991767769 0.698397113903785 0.716391566845236 0.58147805518961 2.16031812089195 0.288949619666876 1.47174896688464 1.07643083273913 0.30879179622026 1.45651196222557 3.69058758353059 0.761496981279782 0.689473577251935 3.58499643479114 2.28299611847273 0.655186605770956 0.909024882242079 1.42244553005864 2.29028328168861 2.71883269672045 5.94318620993116 0.456062047887779 1.1002863653513 2.16350498466563 0.201119661132862 9.49416109796063 27.6344723446704 0.98809935932269 2.01105895097153 0.49883677881833 0.646078402786429 0.896839201569929 1.13166232391535 7.74594401164193 0.488981251507593 4.6762330895561 0.572403781330322 1.0539413008462 3.06374628789746 0.723587898965427 0.675498842080244 2.83972535079976 1.58148547718576 1.14056147400844 0.461100522985657 0.336432900295201 1.35336777492973 1.25497878987887 3.26744862697489 1.0196548595078 1.71873550391378 4.14955940733594 0.416152207469532 1.7023655845573 0.428535277896324 1.87387784277915 2.90808211201736 0.958572891512506 1.47615886959464 1.03350306731662 0.876153391454632 1.36669025801156 0.537957236932206 0.60774043512336 5.71709524276554 0.775404741771966 1.31792403233516 1.60524063613576 3.46285176064769 1.92229894563476 1.13331654548491 0.281843588499794 3.43643245850972 2.20106134544886 2.93542492253292 2.80903539673662 17.5379835673471 0.942866003811725 2.65250390759261 0.94910984642653 1.08455968566079 0.850313888587002 6.79425873255279 0.374362834884442 0.209945828263845 3.18251200993841 1.52920882404656 14.012968171123 1.07535976800961 0.699118284529291 0.618454616702496 0.42879062990658 0.94717588628795 0.623302063756714 1.53324250223764 0.81818318370059 0.760997410253488 1.06158295273514 4.86331121755196 7.41459535542084 0.538579094180713 2.34082866586969 1.18037588876195 0.182462353249907 0.385137099289521 1.30231027301459 1.03554835739739 0.166630528614004 2.73771708234263 3.82479706583752 1.05072899022859 1.02196893187756 0.904031292549464 1.28518384019382 4.20218507100818 1.32169440637726 4.82660114104355 0.808491470447644 0.895596724072273 3.03541122718288 2.44844177841631 0.882676089067488 0.152546407356258 0.626319105190008 1.00146566752461 2.20332894198561 0.829578068354817 1.8580182740148 0.302269628749986 0.594815912406308 0.518663404522646 1.58749499677938 1.08355506546819 0.765454495653273 0.769131564600966 4.83111283112927 6.7576064415858 0.353460549881557 2.61696632976106 8.24671528074142 1.01081844295357 0.140968623511293 0.816690655618495 1.24616322559953 2.2598347192144 0.852788417444872 1.08679706407038 1.60405400032339 12.6251921987752 0.547571372654009 0.504206416315668 0.765568653022564 0.191463290718706 0.61973862203573 2.94904781974445 0.890710930037967 0.436417084374843 1.1367280129991 0.392042913274859 3.98645468031961 N-carbamoylvaline 0.771432057649795 1.03061927593236 0.317770089862479 0.510543768482099 1.23848726708966 0.95600901495794 0.537143636415837 1.28010249490397 0.356564554563464 0.998004651029255 0.656756911946255 1.00199534897074 1.09731273865235 1.63866239843817 1.07158852746117 3.52874594470443 1.17643194623411 2.53329868292348 0.723681028539666 0.577477955481442 1.16584913355928 1.62208674874483 2.28122417010464 0.938953918564318 0.654466834865531 1.37961328698841 0.742413906364486 0.736119081908516 1.61242072816393 0.732336412166625 1.4676397656766 2.07142315730203 2.72130603169791 0.875702482918431 4.40054430018805 0.843852981198543 0.928039039461764 0.225039974300946 0.803008810588588 0.633214583491245 0.286558889454364 0.875940704486145 0.575326742536627 1.29593254720216 4.51271056440465 1.32979610399454 1.05387055906271 0.79853313264971 0.532800583281899 0.665872594774285 3.01367608363743 1.23989272810618 0.811101125055495 0.292066860853339 4.79101110617824 0.359960007651966 4.26335033369067 1.43558813656593 0.377754436876699 0.604512493999343 0.490570396277969 0.911594532454079 0.550205195395827 0.982201961357574 1.8355838052647 1.18338368471015 0.44574864737072 1.9442633719902 1.47457706648186 0.363764333900012 1.94477590930255 0.871941469682696 1.93368777815075 1.54940029525037 1.21425142481763 7.3361486791336 1.13467098353023 0.315398136818587 0.372123745276175 1.87033527880947 0.627757143939968 1.7213601729633 1.25002797298712 3.18048893172065 2.11394931655676 0.732863387149751 0.41509747232479 0.214926385926159 1.45265346341675 0.749279018815894 0.937957719281148 1.43392058559193 3.53622592067222 8.81352665374495 1.12866491248967 4.07496038664082 1.26441511191 1.01274485387273 0.486729975852996 1.18125412827149 2.19604913139363 0.266772061663292 4.369459995019 0.612958531400129 1.98472494432473 0.324414462214811 4.91679209393149 1.77952954849794 1.32641047019884 2.38071415938467 0.398652965317105 0.654611211573237 0.583664497406633 0.659029138829033 0.904866577874991 0.987255146127275 0.475584094018112 0.274618935727099 0.654040923577799 2.1303649482229 0.344215727676654 0.416642303097241 2.8388719847827 1.0870411076581 0.314669034444673 1.51216554233306 1.98899849487282 0.461622866382967 2.75287399883777 1.2351210779165 3.914824961289 0.257264855460869 0.606620393931847 1.71795288266144 0.308374209988703 1.84316358241925 2.52543015235352 0.617939527815978 0.876539867823124 1.16805809718718 0.348099461113939 0.627165199438375 0.452130097851314 0.827228003306227 5.17569562502482 1.83046565097653 0.356220650922387 5.78660400717552 1.14749885400988 0.566173259268082 0.954423882794989 1.48233731452105 8-methoxykynurenate 0.842201291835234 0.443033973887459 1.50621494575212 0.152187155204119 3.33283721037146 11.3071298041559 3.00168087991909 0.112679293858036 0.413301075763148 18.5605317901802 1 0.288913088451637 0.191531238506804 15.6565402031997 0.0780014481426995 6.22191924880471 6.92699521883045 8.78875218370725 0.680348358771607 24.5976979128356 7.69580096083119 0.158448073740346 0.434411203567488 15.5072493333946 15.2335130102979 6.98340957153365 0.497540456050018 1.91033008458992 11.5802799742552 0.452185431224715 0.0598766780066201 0.277813534387643 0.421366426075763 9.97975760849577 0.193916076682604 4.40676486744243 1.37675196047705 0.406036955034559 17.1728623470457 0.194089755643849 0.0837436265539751 0.779678437953892 0.503000953700053 0.402158125490751 0.135361378180826 48.6934376674451 0.33702344484547 8.0324662413771 0.151783216901048 6.23700962798958 0.993391498926666 0.168009597659896 6.89455716976872 0.136237569042155 0.301965700497744 0.219977825631279 17.3811329147837 0.414364138182039 12.804963284233 0.461523426310664 16.0778798877128 0.168043297308409 6.47642541088297 0.619867964777127 4.19876726685741 0.332618900784865 7.9312089074911 1.8762818503803 0.114191258985169 0.256258867220015 0.935893158634355 2.42053791378956 6.62414782013824 1.7134518886968 0.141646362628438 0.190837739562376 1.66180380738629 0.997115310087316 0.664806446068767 0.399293655367174 0.133949362908145 10.2750329414064 0.712552108081513 0.715399728380833 0.289783277560415 0.123687819936038 34.2402919737547 13.9726190355835 0.169738389628596 0.469837129598738 0.401433583047729 0.150681238394684 0.181074951388257 0.443962539470713 18.8645847023816 5.57094618503129 14.5615136534126 16.5276623564816 1.47995039411739 2.13890995116921 0.505801394491455 0.364242650949151 0.416807362699207 2.03169114946131 0.271053012917075 11.6797825698678 0.493224685666529 0.131212951448916 2.55195980305925 0.665719706543461 0.608042758114033 0.255776962246284 0.370507415607655 8.63882064710065 0.105045174378831 1.37599034842067 0.138030390343029 0.07713175551579 0.156288859907191 1.67184293267821 1.14718321487907 0.142081088094251 0.127964305332295 0.151068784352579 0.343385938484662 4.12833163150108 5.32023090999161 0.758218501781026 0.283228695924702 24.9686660668129 0.223405079885017 0.157043732033875 0.667772015137882 2.57499688278251 0.113133090021871 9.35318579627214 1.83701501993334 0.441967520278764 1.83553223539879 0.911181206380017 0.156993182561106 1.12618496389083 0.642008633849949 3.61489726662151 32.7641732296732 0.355288654339335 0.517158176040224 0.487492375454524 0.414121500712748 6.38757628757932 0.620980053178045 5.21786485766953 20.8046936870448 2.16700197816937 9.49912212415624 0.521933416234469 15.6315213032328 0.910325235307796 0.199764776453382 1.05546962145185 0.747040328369375 0.137939401292045 3.24220274382538 1.62338620808185 0.568984865487853 17.35312176694 2.61364363969684 9.52651993839704 0.322124830238021 1.37976807901894 0.170385422880039 1.96543764048541 0.147496621610237 3.12527170341613 13.7409238421643 0.971668705495402 0.133952732872996 1.35502916704579 2.78543770788471 0.087939232793802 1.32050724710941 11.9260831909523 44.3642864604922 6.77071096148467 0.313548269691547 6.49867728879588 5.24521549240241 7.78814715962513 9.38768075648971 16.5153215451963 3.9760462898372 4.01735194901917 1.92739410727946 0.548728006766889 12.3868854447848 0.774835798462622 0.0883908080838717 0.510138539255036 0.139216617970675 9.84516696490856 2.62308628121009 0.779496459851924 2.46541910567873 0.820953767452206 1.00288468991268 2.09150465560644 0.90437724734531 0.0940287592800407 0.26028934518213 54.988784756975 25.4299266358652 1.4186406235783 2.41803065994022 0.519321693474737 2.94196246533149 0.331516922278501 0.309875008003667 18.9778458510678 1.08035007194875 0.159207249468388 0.355359423601212 5.08350435904954 6.10290524669828 0.175110113601515 2.44913543551741 5.03356484991862 8.27207411226701 0.201328440144369 8.61579030730709 0.395916950586205 2.64194123455292 15.6563747940109 17.4927360407631 1.07002112967962 0.434978213177237 0.214451083275201 59.6425714179801 0.470190975908121 0.645445997998241 37.2373466244747 29.4237292705037 5.91646194130195 0.0754265533010491 16.9634999106959 3.05789599614476 5.93858913051537 0.156288859907191 0.285638220793357 1.87233225157462 5.54625108260121 2.28555060170722 1.85941517629971 8.97735720616434 8.40481365779355 0.157475087534837 0.812727683250264 43.2053454382471 0.227411968093173 15.366874593498 7.5200159062341 0.676331725860099 1.65756776156825 0.36871122434193 0.126528700305656 2.62454547599069 3-indoleglyoxylic acid 1.0454481852773 0.535249538476816 0.709233623261671 0.401897548623555 0.317880017513056 1.78411096416594 1.15223268893112 0.339374133938767 1.44717421428217 2.09474202095248 1.41150716094408 1.07642101747243 0.91206008603063 1.31111401992336 0.90131754149195 2.07401522913667 0.49570072534744 2.2045236042591 5.4584132629802 0.886223815047687 0.912448262009759 0.954551814722702 0.705180343851699 1.58000261793102 0.842666859250098 0.395442994551995 1.73405431755503 2.46924156732822 0.52255708669414 1.04927578097847 2.71046134263752 0.774420105710249 1.06873699551775 0.948577871068865 1.95984307542829 1.48125979632804 0.687589942894855 0.652547732751588 0.519400166824019 0.81619109599714 2.04411670348405 0.613875725272006 0.342759195944893 0.730487547778582 0.405749012346811 0.759819243425575 1.76202828675399 1.40061596560859 0.879730881692439 0.717902417115044 1.30273976369653 1.30579209327479 2.29826668011036 0.426895331677315 0.312208401697572 1.28235423522187 0.89367260327965 0.674152359826576 1.03714125961301 1.54869519785145 0.389974059781662 2.19667818546798 0.328679982034336 1.18248897769875 0.890941089122524 2.5908686764989 3.40130342722531 3.35748004069773 1.60161141002961 0.631071431845055 0.382375317378113 0.173661970539978 0.319513827144651 0.898658991539639 1.36146731807474 0.74571253105035 0.637808555688974 1.8826090543278 0.626974160609366 1.12309229401358 1.36236560125393 1.83963812020496 0.859400350147117 0.345958184001393 0.542792194102496 0.864588393814679 0.736592206935113 0.661173084502782 1.47840912215735 0.465301520665096 2.5235066042146 2.73846210253261 1.72536366719525 0.474146860133643 0.21612876614389 2.55462570006508 1.56112450388187 0.633023822836558 0.537989128940301 1.5027085987699 0.377783073778381 0.800810288092248 0.390148216724566 0.328606652795219 0.435603178822516 0.557558869629779 0.923517603600466 0.830994436143982 0.190958504816814 0.927404053273692 0.380386261767051 0.664564561811966 1.10674903984528 0.538749919796145 1.55757720193956 0.621822781561363 0.756033621456135 0.439517126960411 0.39672951593536 3.78003978111222 0.895854148143395 1.43738141287112 0.676123083127859 0.983665911986581 0.465310686819986 0.748205725180344 1.11547521930026 0.799618687956589 1.29480187356206 1.28271171526256 0.381092055693557 0.921611043383411 0.22574406262317 1.13301923975911 1.4861820215038 1.90000641630842 0.646855550565094 0.524551545872022 0.965177777574085 1.91396647020541 0.330366554534039 0.969724190399369 1.86140773806796 1.07752733805696 1.8531032017379 0.779077334848804 6.6550225945718 1.28564488482726 0.897430726784421 0.532837749892298 1.12795952226001 1.67857961263829 3.68312602546358 1.12655710056189 2.31089764154835 0.326324280227687 0.413613573242161 0.453174697746043 1.4427252811718 0.775502534441827 0.388699964251996 0.744181783183772 1.27943939796695 0.358827465466512 0.907458500233737 0.923526769755355 1.42665701165018 0.471149527484715 1.37771891069415 1.37380496255626 0.346755639476796 0.564680971979065 3.38221949274499 2.34796557192223 1.21609210152433 1.61535147620925 1.66565533424384 4.66235551848355 0.958871463009982 2.58722971300769 1.19864890876926 1.40413576908623 0.636626121708205 0.969302547274444 2.45727196898173 1.40707810480582 0.807153267275911 0.83048113147016 1.01637075263298 0.895872480453175 0.879300072412624 0.553819078434787 0.482194744126786 1.00565551756694 0.538713255176586 1.23226119874974 0.40606066161306 1.47713502662768 1.23996993501196 2.46756556092285 0.897018249814385 1.08057050148033 1.20106877366014 0.487382787794348 1.11465026536018 1.32321695372008 2.14126877915983 0.438224699120966 0.953500096244626 1.67813963720359 0.758957624865945 2.0192855898879 0.271703163240052 0.672933261226248 1.84663189638579 1.08525440662896 3.52542233058654 3.01205349367994 0.697846870216413 0.805466694776208 0.841801332758921 2.88022585405648 1.45103898365675 0.954050065538007 1.13138766418875 1.81757518538548 1.1757793523195 2.78084640274251 1.99609521801699 2.25008937001018 0.847594342649202 1.6403659129032 1.37451992263765 0.43634563736858 2.7351806190821 2.14850087536779 1.0300374895735 5.65725913636489 1 1.21281061807382 0.781973839793945 2.45758361824798 1.07929640595067 1.191774292602 3.57532287780599 1.01992722073018 1.99121882361568 0.813972886513836 1.55568897403228 2.16301089855816 2.19386417591685 1.67793798179602 1.41127620374529 2,2'-methylenebis(6-tert-butyl-p-cresol) 1.25741273325197 0.240899227195558 0.711722814509534 1.60406760112453 0.347526851785106 0.219210988787003 1.21807800626894 0.452085378858119 0.353705310203057 1.12767107215742 0.738468957323 0.719841113991762 1.57397868759958 0.776092527734209 0.715403640557692 0.884423354652362 1.27476889194906 1.79137511465296 0.197882679883967 1.56593993054951 2.42251945682462 0.809352201461095 1.99513200315187 1.60760922791641 0.789543153012297 0.982970462414958 1.01702953758504 1.65828770000572 2.30227516212985 1.6666336897 1.33420928578028 1.62572141711629 0.535904443274051 1.3999436210895 0.317032668972885 1.02805916785044 0.497179870044243 4.46842504644943 1.65573963366342 0.969780430201093 1.29443767564123 0.427041031054988 0.248400426079273 2.98102778595913 0.474301402918912 3.80893392533821 0.889179118325436 1.09619710825146 1.32486649489787 1.52811009837883 0.714136024781453 2.223241534675 0.706115058775409 1.24515429581241 4.23767106143169 3.38985700760642 2.21276958634146 1.1505609069898 2.28741557968812 1.29507253059977 0.275026432549424 0.982725470238805 0.504692320386977 1.73017874641414 0.445175457644357 2.01077042491853 0.637508083740843 2.19390081259855 0.504864457676731 1.43905510841096 0.851229952520114 1.16315061775967 2.97756608926977 0.962681741050243 1.2717897777297 1.7965163518581 0.434292906601307 1.20994353423124 0.395261960580561 1.31782465842987 0.993067920794737 1.29602007531401 0.959703292165148 0.802058698815806 1.63084921326152 0.361611489295508 1.24739050133801 2.02279002961867 1.17281083612135 1.85289842083777 1.98732185172347 0.737008174942022 1.11720101608378 1.5340543622195 0.475866430938598 2.80399326927405 1.73585927697601 0.299967388669418 0.518330647307275 1.21473811048529 1.2489713217696 0.193817112815463 0.614724371086937 1.00128471270839 0.691128059878509 0.628310583047951 0.690051017386656 5.12181713808332 2.14407733228261 0.233535028754034 1.65150095030839 0.491947843980446 0.731226572943966 2.06239581943272 0.383896161733249 0.868810065451651 0.311650614996001 0.33957159924228 1.53638374297534 2.04849060075125 1.45645834632917 1.15073620276194 0.610128779222871 0.326192267877208 0.94492317386419 0.350210947142008 1.82045922754576 0.453158521861831 0.67827619507103 1.11430626698178 0.593077712090118 1.67220322307335 1.59089599038558 2.84451186049615 0.944875796628478 0.701093071789936 0.286490144350541 0.772386336089372 0.762001246021299 0.677783471819625 1.03843162398899 1.07140618004455 1.57643329956389 1.84837705330966 2.32036170940225 0.873405657315716 0.537644767065873 0.586305925865681 1.66004148666607 0.681722099348484 1.63557272366201 0.26128545495175 1.67911714100492 0.83058927016158 0.221185362645103 1.38512875948236 1.50140355060797 1.08373215753563 2.89254448130218 3.26416835974483 1.94252667535776 1.16226782193424 2.11623215161347 0.76547399739899 1.31681236482682 0.911457473798415 0.891535346181513 0.854716917068518 2.23133988349938 0.89337516216833 0.514606796580311 0.263993853593287 0.739350189627386 4.03531025377616 1.35491471702762 1.64230029113311 1.14638855176476 1.79048680899315 0.816109207686799 2.90717930941362 0.559188775385315 0.349734016302507 4.59263868303919 0.511484636746889 1.98728237069371 0.83997627979732 0.527572366753499 0.588624251933189 0.277123664850276 0.357551260194989 1.95407092845959 1.70664489419479 0.802584586132209 1.28351248508604 0.423140305314699 1.45850188442955 1.55347113265547 1.7496302601563 1.19251818693636 0.705439143545918 0.256914115336722 0.303119554085458 0.317258500463113 1.65290331648546 0.744048432168827 1.13054876262505 0.654341215589322 0.788219808264327 0.444747483281758 0.245630437031311 0.832159035904838 0.636140460869957 0.998715287291609 0.562802079228951 0.371906562615729 0.530628198456923 0.627459372046326 0.561712402807575 0.543631670418681 0.441198928326928 0.775238445679236 0.676692216157059 2.05370999288552 2.33499022054893 2.77988773174377 1.90802341382989 0.350005645787256 1.37875652127909 0.854690069968281 3.39725575258344 1.61866378823639 0.44799124468684 0.951682326159104 2.15448137324497 0.487919199703734 0.887789386077884 1.46639177341679 0.449687349725331 0.844521335943293 0.48222445597115 1.47902254445761 1.73366413172135 1.21821717882775 1.26793484998393 0.573133475096551 0.958184062139982 1.06621837273409 1.68839044527495 0.789416873086651 2.7758859345673 2.05448382106882 0.432393079449255 1.04687582663406 2.28313741530332 0.477039807143066 0.771503540263939 0.914724923821353 2.83547386316349 1.27338323209081 1.27494510162812 1.36033467279307 1.13099726712312 ethyl beta-glucopyranoside 0.851551985907555 4.16306399805367 0.938320917240763 24.7838183257215 2.77690144835593 2.09424938330156 0.420423574048467 0.223853064090443 10.1600397889829 4.89224638372963 1.12149190207968 0.597422955040297 0.809108351066942 28.6095475081072 0.377798240292197 0.225109558286856 0.529723170923246 1.21887944122964 0.488566826705429 0.746631640864394 1.19939762189996 1 18.0054848435388 11.9987989393711 10.5933917028268 0.118483091222095 0.776886050142742 2.75229510367617 0.770957738064075 1.63017287873708 0.613879859481364 1.1961454552522 11.1393136354581 0.224488482039172 0.124916791782672 1.10972309277048 0.0858805980302125 3.26983635312353 0.351930673585703 10.6372607611912 0.669619647342925 0.179248720901418 4.34179263297523 3.87641818385007 0.952720726498841 0.453164098751755 1.17963986025878 12.0253851872367 4.04857780757887 0.177096239717408 0.708889067047602 0.284040056557293 0.121225262257724 0.742206366096721 0.736237239382146 1.98612912943555 0.150886258618428 17.0363528805835 0.564512484876755 0.386804027034775 2.7590958121365 0.892445179754044 3.08492218513282 0.602025421628792 0.250307323780787 0.137485484113912 1.0763365547668 0.228127778668571 0.372180030999616 5.19155746347342 0.0668532474284409 0.520913808434034 0.191567181221424 0.256872877279419 0.159505901102479 0.113707369454203 0.208496712971736 1.02810980083475 4.54643261470587 2.98245096181411 5.49635220034109 0.658032447560602 2.64367204544019 2.57717349581408 5.55605682939036 0.327585285385965 10.9065614234557 17.5782157242881 2.76512324533913 1.64861716445831 0.779311157432377 8.11482248103824 10.0297217322858 0.306190448425482 7.0547097065726 0.390506489026233 0.135125286066207 0.680980909484036 0.564088548119859 0.683749252948122 2.26488758994991 0.379949370532873 0.217542721649685 0.124727295696495 0.0998085603642212 1.8046064555 0.164064739637237 0.515418421934901 0.407525909945629 0.106512591771983 8.5897191084938 0.565118629408821 1.02747936193267 0.370247413864311 0.925856012127749 1.77683070225306 0.22097430141539 0.168526400691904 0.124399321701189 0.231742780927948 17.84210481563 0.251961770379332 2.55198387825605 0.607723666117614 0.747421152622091 1.6111345956688 3.95173923394993 1.69779868713224 0.0664973349076085 0.238256101531031 0.639580873528369 0.14819079826441 0.960627329222726 1.64665660879748 1.13239459887566 0.341804780160246 1.16331647304054 13.2111690936742 2.38557473191163 1.58197892220457 1.26422313892978 0.258020786262991 0.579505755336258 0.598618136233109 1.25311939711091 0.435826421585062 5.89872041553091 8.36995223726854 0.590833005359338 10.8524019843641 0.311519418489959 0.198183752897104 0.570643169151981 0.660443663785354 8.70266484944779 0.407057028604191 1.20093873445768 2.48211327007079 0.972520638067334 3.84473225174798 5.09647537279711 5.82630254264877 0.705871706290784 17.0611064141996 0.305732499550554 18.5445012122891 1.06900937276796 8.82707388889699 2.65597107026418 0.796247977493696 0.325144915917185 9.21439538601325 6.33353740604152 1.5836163627441 0.727903055745862 0.695658353133245 22.1334951338377 0.339890383802458 0.421142904343347 17.0178247792857 0.20415409433018 10.903590222002 0.542320792579528 1.97157194291795 3.83315476971367 1.86201526658212 16.1079678245363 1.08872425404137 4.52330437444427 1.3119931587054 0.373354663790213 0.550113211764306 1.4792283136306 12.2179605848141 1.78173573556064 18.4281348240359 0.148240601722957 4.09916233012162 1.94370994465743 2.62979753072023 0.408262029357317 7.17271110592831 4.86108722164726 4.3864043846479 0.384052689629705 10.539641123566 0.202803327356918 1.81726625171883 0.233785937446856 2.55412785641056 0.732313698623481 1.6449669353624 0.260586271737388 20.4921529184827 20.4595668799712 0.859352603627635 0.20253730400517 1.89821995150844 0.350655219159512 2.40591154905762 1.05476193946815 0.163024940600265 0.429458867202115 0.221411600075798 0.159018798983524 0.328548557157364 0.175444222555865 0.0681044074846095 0.282807117278642 1.16628645977581 13.6489730769791 49.6128364162889 5.78496810149216 15.4759388559295 0.382073913191357 0.466026752960269 6.55049341865516 3.36731386868407 0.241846809420385 0.392859398762931 1.97891856041281 0.278005335043657 2.13855686583191 3.79024605337959 1.53418825221443 1.04931757114606 2.68600741464173 1.23916106681438 8.22100223994092 0.683111525735026 1.60771516308811 4.26205972527926 0.727832602072796 2-hydroxysebacate 2.07704105387122 0.837257962917317 1.81680497357106 0.758469586174787 1.18338126146852 1.96900829841426 0.563656779777066 1.8405444636157 0.890203489168241 3.86285432585654 0.673064388026182 0.935902281379235 0.946895626215321 10.3446827157451 0.670928162572235 21.6992851860981 4.0585435324405 2.38484923178046 0.599156464820749 4.51264481143702 1.05310437378468 0.228072193465341 0.481614767343138 0.836622572782297 1.82577164297647 12.9207241256539 0.615441075781229 0.853126283789335 4.33540930627448 1.24523320461206 0.351962314791992 0.822852134856079 6.27778599402952 0.94456221071947 8.5664292704531 1.18169739483253 1.23882963904823 7.48061661106785 0.69428034659371 0.737054524933746 0.815788157810145 0.588530691258724 0.527819645548642 0.468765849233165 0.51635462279718 3.54639941139073 0.514504503860962 4.82399582830325 0.744776449914637 6.29556900086434 1.0587894936103 0.269567329328314 0.492810252087634 2.22044274274775 0.463258352322649 0.361001778685773 1.01768685129758 1.45159331671322 6.83097484838311 1.89456465058468 0.330999849990357 0.302005128901144 1.35892307362616 0.713567300755049 0.730632683529656 0.550071075997743 2.51881192362366 0.335207263324071 7.15763156202899 0.46360123150774 0.765534927245323 0.989699337814574 0.866441414090906 1.81425234479359 2.56972233929324 0.495196119750555 0.520133437149531 0.636855226407412 0.762306148252388 0.418062589737912 0.896071890335807 15.9194876813509 0.649113157274396 1.12382938903215 1.82407440478317 0.238179597259824 0.83779671550314 0.423291497310541 12.0001285796944 0.84846883013908 0.628190383667521 6.43349929638334 0.61493238851069 0.585451921909266 0.400432884971177 0.258938074590509 0.938553192705245 1.16845368630841 2.13015122400726 17.7296826224543 1.53218421184219 0.879577972869685 0.726646713002979 2.5004393139559 1.19839846847297 2.05356058603767 0.690587252037631 0.752084062546878 1.4734090048646 0.585616218185455 0.525498067732926 11.1405304626726 0.695494710374238 0.356887228464687 0.971869620189869 0.443292783107485 0.373931181290226 0.196741219078369 6.4009329171161 0.466122822181426 2.64785593359573 0.750462529734054 1.00397168389397 0.845404347422334 0.734618654056332 1.92597381260224 1.70805980384453 0.378124307991228 0.320727761070355 0.282818181168789 0.447907365473495 0.358958790207942 19.0795193976756 4.02856612210785 0.485859805273196 0.375381274510504 2.78272888971434 0.577437120957776 0.749933924323707 0.599245665792801 1.03450221799973 0.251351872620383 2.67675064825596 0.986849154588509 0.747226607424763 1.69800201441521 0.85416919659121 1.45892235929453 1.00408597695566 0.417369688051375 3.63564086262688 18.0699330671257 0.767092170210942 0.949296740504747 0.263381217363973 0.591930909844204 2.94855383560372 0.795815445278625 10.0637255252123 0.535455850733261 2.69055867877221 1.75527712495803 0.35317270395954 1.87795644005686 1.23977970012358 0.584687587059168 2.31153431292012 0.779407247608775 0.789065011322157 0.550171082426727 1.62519019079798 7.92935974455501 3.84887599917138 5.22537877434978 2.6132894257488 0.64523433649306 1.97497696280475 0.442185569072297 1.77497124815167 1 0.990070790265088 0.983841818402612 1.47953082698173 0.854404926030959 0.297540556178612 1.35340129008293 0.569215163831961 3.80126579565829 3.8340321877835 0.337928866855726 0.689615761013208 3.79493681736683 10.0109721339229 1.8706845440064 1.62414012329364 4.19639119657692 0.517854719231951 3.05671078855069 0.974548363823389 4.2306576851369 6.95477566414984 2.02445157188676 0.535713010122079 0.917916151752613 1.15783157488696 14.8008443399933 0.556321477809288 0.361273224707303 0.683865391346587 1.27731068425827 38.6390125079469 1.50325378060018 1.09337028808995 0.659428106092535 1.42548449543185 1.62777607131887 1.42278432184926 0.928102520876342 1.28593981041638 2.68265817088241 0.549699623547228 7.09460608181955 22.2765963526227 1.82658170882414 1.44814309491324 1.08970576679929 1.20968490831554 0.662885471208863 0.397032666385696 0.633926466701431 0.353208420541321 10.1882692458801 2.25211620747048 0.780950203941682 1.24915887449908 0.879713695880449 1.71921766399269 1.71420305591074 2.20628468973005 0.488288532834254 0.524690872984692 3.94996106892586 0.676964947746641 0.522640741190505 2.52950546820867 0.848933145702224 16.2175854162053 1.37700995063968 2.68595838303891 0.611117857576558 0.579251523312213 6.73524726589567 4.61048210242087 0.362480445171475 0.80284446857298 0.625183047481624 4.85169046581566 6.11635748012372 2.73626876013458 6.65288482831039 2.74426927445336 1.31171289582902 5.44074261916838 3.75170546678001 1.14103049481752 1.39961140359023 1.66412126493846 13.822024272989 0.35065825660221 1.66772149638191 10.2773464008401 0.585123329356887 1.57821574244059 4.2805894664657 1.05940381881692 0.749069583044624 0.716453200562893 0.5536213042267 2.17544699302098 3-hydroxyhippurate sulfate 8.58777976768152 1.82729191887863 1.03152607829993 0.741508169166275 0.872134788742259 1 0.478464016648491 0.182446811869684 1.71478911040523 0.440206374366131 1.54077914532721 0.565862345519188 2.54898233693078 0.366213459801835 1.98256427096424 0.808996356242067 5.30341704925073 0.527864959931293 3.51102284137339 2.29908495576339 0.421065593957803 0.633975990350672 0.91160255884006 2.1931696905016 0.683296180053425 1.76123597279496 1.22521834130077 0.559812570649119 6.45918296464229 1.55237349466066 0.183236187505131 0.186993615529861 2.07312144386276 0.694694764229285 6.9382771403131 1.10715300625817 0.207548957076911 1.22371537009087 23.9007407500963 0.493473442246121 1.35081116240299 0.573913977000752 0.199383655503843 4.76386301490973 43.8863551685159 0.779770512715263 28.417908091416 1.61313015856978 0.888034959868143 0.963480325601662 0.133240292258435 0.374606101557912 0.536232341667035 1 1.05982204315675 0.427184833883791 0.42816997467683 3.98631538398388 0.970761526463029 0.354252840173536 0.401710103376633 0.357568217842415 0.191205723920608 0.296609473770626 3.43698572177351 1.55990729572537 6.66846854811718 1.26055079474339 1.58888685405392 1.20164442732376 4.00254494704868 6.39451099758135 0.480407696728196 1.58848900873365 6-bromotryptophan 1.28484605444905 1.15448915029185 1.54293098070668 0.291222207369781 0.248821458806755 0.404143831038631 0.726801229782115 1.74315822305396 1 2.72947912489418 1.03866684489596 0.231956512052756 1.52348616495121 1.40536024595642 0.495321481085416 0.902936327585439 0.467629104843381 0.107654948090719 0.707833177382703 0.363569932718442 0.520193378781803 1.67089961235129 1.03687118477922 1.43896983469233 2.97258833489284 1.00734123034043 1.986877032318 1.00019908421262 0.45271749950229 1.10991937089389 1.27792156082023 0.362009755126419 1.45623465392528 1.54571471232331 0.691046187537328 1.86924314818502 0.704169155219324 0.469067290463866 1.27340898533413 1.22723803835689 1.28639093503219 1.58018116663349 3.36784126352114 1.50196595659964 0.508270289999337 0.740443957794147 0.84755126418475 0.20172207843918 1.0512475943991 0.983791227022364 2.45694803902051 2.94261397571173 1.44434766739664 0.393000530891234 0.562636870396178 1.38913497909616 1.38020937023027 3.02870960249519 1.1535519941602 0.794030791691552 0.621059791625191 0.871632158736479 0.369276328887119 0.34854668524786 1.61035072002124 0.280882938482978 1.1762475943991 0.981045523923286 6.78250879288606 0.675832835622802 1.86031753931913 1.4142444754131 0.369956533280244 3.23610558099409 0.242011745968545 0.974981750613843 1.18591976906231 0.565424049372885 1.54862631893291 2.57358650209038 1.05132225097883 0.382366115867012 1.88500398168425 0.229303537062844 0.233326697192913 1.15039982746035 1.55960083615369 0.63407492202535 0.539103457429159 0.170631760568054 1.06276129802907 0.723173402349194 0.276353772645829 2.0946230672241 0.72291625190789 2.59303039352313 0.623490278054284 1.28547846572434 2.06017320326498 1.26128973389077 3.46095460879952 0.569861968279249 0.907940142013405 1.72177151768531 2.20460050434667 2.59541110889906 1.56593005507997 0.426073395713053 0.522994226557834 0.37944621408189 0.260410445285022 2.00869334395116 0.313507863826399 1.19951556174929 0.443476673966421 1.85423717565864 0.619317804764749 1.60821885991108 1.29161689561351 2.89156546552525 1.62405434999005 0.324291592010087 0.6590268100073 1.41368040347734 0.359089853341297 1.51649080894552 2.15078140553454 0.733998606410512 0.308738137898998 0.935090251509722 1.14995188798195 2.07131362399628 1.953264981087 1.36468909682129 0.194090516955339 1.34079069613113 0.334196031588028 4.3668043665804 0.544744176786781 5.88952485234588 0.223530094896808 0.63502886721083 1.44526013670449 0.935388877828655 1.18139060322516 1.80287344880218 1.32249153892096 0.930561085672573 0.264823478664809 1.03489780343752 0.381976242617294 1.28889607804101 0.682319662884067 0.722650806291061 1.20333134249121 1.48067224102462 2.32039285951291 0.36519510252837 1.4462223770655 1.14725595593603 0.41578737806092 0.618961112217135 0.527730771783131 0.617036631495123 0.902357488884465 0.953289866613578 2.47593569579932 0.733052956400558 1.33273608069547 1.31006536598314 0.692796469573296 2.69499469108766 1.45635078638264 1.90127082089057 0.581035569712655 0.624552060521601 1.27610491738005 1.24285785387219 2.80000331807021 0.999800915787378 3.18206251244276 1.62577974649944 0.287784524520539 0.876642444754131 3.27022363793218 0.50136040878625 1.24403576879687 1.53798360873316 0.329666865750879 2.82630731966288 0.481734023491937 1.04359944256421 0.828696330214347 0.375688499568651 0.684393456765545 0.336842192580795 0.495877297763621 0.445052757316345 0.920067688632292 1.17317008427898 1.70411108899064 0.838459751808348 0.330678877165041 2.19586568451789 0.980381909881213 0.191195500696795 0.288215873647886 0.319380848098746 0.557361138761696 0.947441767867808 1.8979527506802 0.956276129802907 1.04365750879289 0.268058597119915 0.850296967283828 1.23964762094366 1.14541442696928 0.882789169818833 0.752463667131197 delta-CEHC 0.990239566470141 0.864113981939119 0.573181781096621 0.551342113286299 2.32582585806363 1.4703687322601 0.905328518243379 1.2431348468518 2.99281601174859 0.932724719704224 1.26465675307778 0.504983274576067 4.59362158030565 0.468689748753645 0.411793248854555 0.526522357103904 0.936477741659832 1.54087745138033 4.20093696726626 1.2467933991472 0.554665727695499 0.429622250181425 4.43723994005471 8.01578502140597 1.07999433182039 0.666809802515469 0.742454235890742 5.28443526466534 0.939887237578313 0.979727669734068 1.6228341756878 1.00976043352986 1.33230561793893 2.40785987572946 2.4861488113247 0.754990987459145 0.857047892173365 0.503884128127224 4.20310815475151 1.64809756554866 1.76497509300175 1.15725285823252 0.738022695410209 0.707358750261002 0.94880962019491 1.09122907194266 1.23187584425989 2.42501693846331 0.296915282115966 0.622534335010845 2.93096351092797 1.41518623787142 3.64924810267905 2.3285422694558 0.560021817592991 0.273972719486264 2.1303856856136 0.848755502337295 4.06793282567658 6.69312617983321 6.34616679379392 0.225556412540003 3.91424663254827 1.8471660565979 0.467143642430105 2.9892488697038 2.43216731366625 1.72132286202503 3.46151453298846 0.236644181478057 1.42677683414794 4.67150460427915 0.458893865080346 0.79981080056078 0.744005488488237 1.46106284063356 0.199332688464374 2.55501911170011 1.66196366859417 2.10517613871217 0.473825280283629 0.794543897252773 3.23627345284715 2.98883126733796 0.728528633460177 0.681782735977296 0.722341300447857 3.24232442590328 0.942204684816745 0.527372130581703 1.75874514750312 3.05090913739544 0.274066466956148 0.667865497948209 2.52666476330895 4.00417602365845 1.07657037665177 0.89611501962305 0.393006438746682 2.05617177945482 0.293497760713844 0.789515623868106 0.560115565062875 1.43857197035876 0.99670605480818 3.89703118807873 0.34526340908413 0.626718881166559 1.11355801476949 0.514102602344539 1.00255248793001 1.13925334401486 3.61043665014723 2.24334286432611 0.591887434856162 0.651868770587157 3.38648246709251 1.048846693058 1.18391975216578 1.94791901923102 2.18467399317348 2.62650581873501 0.12816983632544 1.73755821930942 1.04507122677087 0.64195710627128 0.573734515687787 0.191560170961295 1.79519586829333 3.85229659994972 0.875899656117236 0.861641518197662 0.379182948187478 0.460700634499921 0.349643972676874 0.44779757364503 0.615026014922893 1.51974875678071 0.972314667643913 2.41568480396126 0.882078466632293 1.18861564815722 1.54304926429542 1.62752425715783 0.53113055187431 0.962471183306132 0.765516271577898 1.12660595807784 0.641675863861629 1.47743455787415 0.531198731852407 0.334115982665241 1.81501919692508 0.204795609209411 0.46895041184968 0.330826298722052 0.506176679890742 3.53323134744943 1.05442892876471 0.28863993727442 2.98485126111653 1.63821999122183 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2.11931496167007 0.997447512069987 3.34592390262195 3.12587302331329 0.991362449024813 1.63990744567973 2.48508349916693 2.70448666868366 6.0798387543518 0.951979989176428 2.45008160291129 0.497526345169662 1.44256049907744 10.1920885657916 1.56156865084607 2.36916049140719 2.92909708402756 3.04057134821645 1.00787052622159 0.445087419515667 0.389196882470502 0.71623919240816 1.69993139389704 3.37129537697136 4.7013930021775 2.76561854154504 0.69644143126819 1.76482168805103 3.61765520532827 0.906955636140502 1.99247463491752 dodecadienoate (12:2)* 1.38276143949276 2.41231427939825 1.01208770231097 0.934093129301916 1.43110363036133 2.30575668688968 0.662967659977515 2.51541073237661 0.821541456755363 0.387763975449696 3.58117195253171 0.979509381747919 0.399137645365059 1.16220342554564 7.552802846477 0.571616328890992 6.32173084555311 1.54295893818169 1.01480335237563 0.721174443242181 0.513183744192831 1.48503139027753 0.786211288951286 0.402480713153321 1.4937445677303 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0.700021697729712 1.86897577566116 0.749630419694219 2.03246032648548 0.0889371641590104 0.566874102191079 0.929321606102552 1.3629971361611 1.26977140265366 1.07249851971814 1.05792574932325 2.24839064278871 5.74572940316865 0.577037397213541 1.63451677456712 2.85685968496465 0.814083133675007 0.181316555498479 0.705367051082468 1.11743700142604 1.60532744619028 1.09674507912482 0.93405654742065 1.0662159812929 4.84386065351993 0.595983697946689 0.523205460508171 0.863678131171926 0.215589818797815 0.70397957276386 1.75042055689968 1.16015734775317 0.696576202818875 1.41508998675916 0.658331993563878 0.710545750185934 gamma-CEHC sulfate 1.02812103196959 0.781264123498083 1.17729302310272 0.198866448835116 0.921670525770755 0.587917311784805 0.95901669437035 3.87682853804309 2.58715266480738 0.0944617530924527 0.453524275642576 0.0654001040628834 0.268148022488723 5.25690745872615 1.27710983698081 1.04327977850557 4.78760664230093 2.82107640519707 1.54756446011999 3.11907097924186 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2.51404900494072 0.343543743635518 1.93715977521592 0.63216750688307 0.8010698615843 0.526482531460971 0.252988949373295 1.21038306324881 0.267440252442075 0.383509548294633 2.19148762304665 3.30047270030047 1.88293124473555 1.59819217278705 4.9230981984587 1.35496523892737 0.272500408584036 0.564593993186076 0.285612813195379 3.44590975950115 0.266579083011704 0.284619639691739 0.792395308198082 1.2462441698201 0.385357605320393 1.03103352903461 0.519373169229222 0.423777076549791 0.680594144047873 0.803181926756597 0.334341173956225 0.238531360396264 1.24396238512503 1.39822485950995 0.556560602441447 0.45936160315804 0.889908602894032 0.216744402398703 0.55188388670279 0.472983166337704 1.83401430672718 2.8227499591416 0.276831399368895 0.596897275687364 2.62952113950945 0.184327973548898 0.185119997988509 0.879951724224633 1.89285040795545 0.836107514174723 0.463108004475567 0.150226921287857 0.520014331870812 0.52405617087613 0.370202280527513 1.70072790817545 1.13731566574054 1.74915454534026 4.25919942672517 0.222024565329445 0.348013024401896 0.740102837458984 2.24690419018644 7.39041776146235 0.816564625422727 0.582860842563142 0.598883622694643 0.40170725268094 0.326213494587833 0.39345385514753 1.48786191116755 2.6633644695322 1.00326867229046 4.50811510755189 5.41993010070025 1.23965653797317 0.564078548709503 2.49441182756497 1.46691097896735 1 1.73833649724049 0.648693159674641 0.800183548520926 1.64712796852017 0.959311315892033 8.55036898281433 8.23575927485762 2.03869605119244 0.625711879109413 1.27771771243227 0.843053442791949 14.6417849465069 3.96852645738783 0.366864463246295 0.605006097331003 2.483989791685 0.426065147153112 0.212293979357077 4.31982072589669 0.332329683315942 0.938228379618571 0.65203097695586 1.01169807525489 2.06267679116956 0.484454948895566 0.194511144915329 0.533447317802949 5.76765397332261 0.955646631381768 2.85177828344418 0.796525149918912 0.173547640898633 1.04488138491131 0.202305671146424 0.407458858730498 4.72602868888526 0.75181348453038 2.31408169166363 1.17279961781678 0.307550632990961 0.715286071684498 15.7362118602517 1.88061803049923 1.10555925725708 1.45934903134154 1.79908980048527 1.61384408433175 0.793231333995449 11.5388154834492 0.793602202582251 3.21451290496964 1.33441660485524 0.459135310461009 3.34849075342896 28.5235595841243 0.44782696151767 2.93368366795318 2.17679745546434 3.63349383352401 2.82200193605974 0.339941918207762 4.95740039978377 8.81863897514552 3.51502332071961 11.1556579460166 2.69741523452724 1.64061576757226 1.73620557434344 0.823460266773946 glucuronide of piperine metabolite C17H21NO3 (3)* 1.04018964229568 7.33623133389175 0.125409014198415 3.52531246002699 1.4093071619263 8.45240580810477 0.959810357704322 0.531047942859737 0.173190950315864 0.238880796860752 0.393289072461017 3.05983057631287 4.72969834025745 0.937995006446596 0.620735525858011 1.25130466815382 0.595230542537298 0.484175142746045 5.99637762724352 1.88662689560608 0.32988662177926 0.2479483453738 0.86514847635225 1.0418772895647 3.79940343409124 0.265144383275689 4.17184270306776 0.929368847594294 1.88623805333279 4.92005198207233 1.54484477007142 0.394357693960666 3.12689560608231 0.310081247569736 0.483699322595829 5.58450668194749 5.08575507029859 1.37133413830506 0.260355483699323 0.554524896138182 0.381024497063218 3.66238257986616 1.74634692916931 1.90419642674416 0.398839612794957 0.593726336901132 0.42175572519084 0.456040357734891 0.705354767410924 0.197843971921495 1.07665820764177 1.99766694636023 0.391374864416839 1.54650758242433 0.433482389538096 0.349006405664818 1.7142725579682 3.50871313672922 1.50310050549496 2.2311155680167 0.152395473057324 1.20242821766981 1.51798395513988 0.392648834496449 2.54049587622537 0.249815811554755 3.32338374639298 3.58275177537196 1.33286433497739 3.43847082659681 2.13843296563862 0.480486257495446 0.151080572212103 0.289145160960236 0.872403454556618 4.6202750547449 1.50078280089229 0.828218693080654 0.351303644884678 2.04714712563699 1.97612201461228 0.462584163886786 0.531716227002026 0.17881628225856 0.853585535067433 3.84838732783497 2.08818021816098 0.906662505372163 1.19697930949798 2.83964349303154 0.241517098827334 4.44646255858216 0.627606778134785 6.26606020915621 0.511593639359024 3.32442236457033 0.402569428811166 0.958122710435299 1.06297198289094 3.38197613736365 0.807149581482922 0.738278451998445 2.90337269508626 0.544010805722121 0.138637619466672 1.77971573583284 glucuronide of piperine metabolite C17H21NO3 (4)* 1.42033318056754 10.6879998963568 0.410320273747658 5.62333462347551 2.6515142436555 0.543722054791637 22.1853302736991 1.83664208918823 1.18407521906776 0.478533707528546 0.661496381394099 0.358702710756061 0.815924780932238 0.803873017620967 3.85401204528561 0.258826272908796 4.50278534092398 1.17878889358047 0.766919526506603 1.65316463068389 1.10089253214135 0.770192629693802 0.78852084273671 0.313157933052809 0.317665729968987 0.716343675834656 5.37201555015215 0.19617361424557 3.37109826589595 0.357880636566154 0.396458991569721 1.01270220293822 1.42005503705537 4.6672529520537 0.374010279407696 4.79424877331431 0.977629912202793 0.427658304334532 2.11279393136384 0.248054046970778 4.65340923981887 2.01204408788457 0.345382274573754 0.427856321253331 4.19584164470523 0.433674524249793 0.539357318617959 0.588101512791019 0.870237765903234 9.57190198162519 13.5680930679518 1.82507826036313 0.257521002897453 0.720609775629359 2.9375576942677 1.8199880607446 1.75999475837568 0.426889532767432 0.603913746159782 0.527758768800687 0.170553719369258 0.572609600908548 0.803072174254888 0.268455613634047 1.15930169915988 1.376316594109 0.283251554287212 0.800815363783288 2.45851982353198 0.47141713137549 0.239492727246254 0.18609804749494 0.398054774974156 1.60004076818916 1.05266958838689 0.497025378197755 2.05237256300869 0.748227311774727 3.20358760064647 2.62128681877084 0.290729604985367 2.95879209679533 0.227105021767301 1.55025698519241 1.60063481894556 0.467730522269623 0.494311381604811 0.0783244274253433 3.77250768043564 0.987297797061778 1.06993782851152 3.97738530306781 3.73179773154147 1.38656396965682 4.97657576331154 0.163535766805958 2.14802055881539 0.286699378285115 0.76719907980373 0.157918492741806 0.549630902287387 1.14419708507448 5.2388346121926 1.48876399586494 0.877095557723388 1.98449935207699 0.268438141552977 2.64992938367234 1.74287794295366 0.437133996301743 0.711891207175201 0.265080589973938 1.21084142630422 6.25409356299413 1.40324980707911 2.50316681469402 1.27322257975277 1.38152036225448 1.17757749595958 2.33356241172959 0.229894730711551 0.083216610125071 4.82162170032469 0.645421586756163 8.74514348946579 0.155711186499905 0.926227049693511 2.97476157889373 1.51475080444373 1.48912799755391 1.06503982178477 0.687389525487398 3.6656164004601 0.548824274544634 0.937088860092311 1.34865246574744 6.33001266725878 0.621473187635591 0.212186776546643 1.63984508088118 glucuronide of piperine metabolite C17H21NO3 (5)* 0.560182145893783 5.71693218473175 3.20613188872797 1.20725443128687 6.26193327887666 0.515731465101789 0.559129762244818 0.209775140693671 0.792745568713135 2.420332052098 4.30504381891559 1.50919859509296 0.475431012647541 1.37959929754648 1.03675638709242 0.628058458992587 0.349918103375492 0.54246382195505 4.33290133567485 2.66608551020753 0.314770098444808 0.381182350855271 0.758979078367471 0.878294861620034 2.87708329815437 0.272268283210348 4.01872646527414 0.869775924080985 0.662856081457591 1.57975211495922 4.48329140001013 1.56195015281741 0.264391009945796 0.382174397595448 3.50647152192634 0.35096502929704 1.37200064166427 0.415388966751659 0.481319970956249 6.65287651339896 9.72738133432397 1.47741932760338 0.166579422839871 0.318729842454535 0.461521250907617 3.90329866094798 1.40512655983519 1.91128991405076 0.720740953378025 0.552101450498978 0.272584893872106 0.506923219803786 0.651095050742135 0.267945492308472 0.973995710980902 1.13277806859053 1.86829418618396 0.247412235524561 0.194597355667753 1.18369328447679 0.577244558518093 0.364190912007565 1.76923726380845 0.871570051164283 2.92141723375154 1.29558349234224 1.77604228229851 1.47348913392209 1.43103375491802 0.411408115364482 0.712298002397798 2.24922324850982 0.485710305465966 2.52475051079853 2.89778541395789 1.0260042890191 3.33655713344928 1.81832458080748 0.764644298475203 0.441722530858986 0.93518768680029 5.43747150504044 0.95827071478023 0.669610442241772 0.906730720521437 2.44137214839331 1.50959119231354 0.398097803144155 0.728415595819051 0.215480994917343 1.03035240877392 4.01914016987217 0.827903108694551 2.62094527279175 0.857356343189071 0.950241468398034 1.4216494149035 2.65841931071748 4.27526130933284 1.48036169601999 6.79779976697455 0.228267844176897 2.837958663312 0.705775822765573 2.76206075547525 0.588604549061988 0.924266729707367 2.81487985680755 1.17027743536921 0.770516370881951 1.96274970027524 6.81487563533206 0.721597912902518 1.87253254757603 sulfate of piperine metabolite C16H19NO3 (2)* 4.03519903333445 2.63309185984738 0.308004273143202 7.41661410114109 0.456099009144665 1.13920007037029 0.860799929629711 0.504633675192506 2.50777662409951 2.25364960768992 0.942704531101144 1.47287012556063 1.02789308613695 1.8739319853138 3.10165166290235 1.64533884244442 0.201849691182925 0.593254193382644 2.66770640434164 0.189404951777438 0.194635039231008 1.88685627428523 0.350687746866336 0.682831483285343 0.322109589920896 2.30629087678359 1.89066698065745 1.17376821057364 1.23680328833988 0.68388906134595 0.114201303775382 2.53727320409758 0.930910608963723 1.47559756371694 1.10279059312146 1.79241498164224 0.28030742552531 5.74838419627279 0.250819408912343 3.08101818648912 0.192896672054463 1.94432729257876 0.314070712152514 0.279549565943418 0.456462679697284 9.17375536549598 0.432196187152782 2.2114128515002 0.260519583391315 0.174982070412434 12.6619753588594 6.05539011571274 0.332075229338157 0.391025572408773 1.20204022650154 0.242778390297685 0.653120818659616 1.19784416779953 1.27930122777534 3.45939777994241 0.558309159610794 1.15267231136468 0.11113989359994 0.481317904967834 1.08360861048372 0.224446323631732 3.55041585938922 0.320129307115103 1.42593849348648 0.330332580469059 7.12738677599255 0.779880326693142 0.557538454951242 0.520981363933163 2.79697070251871 0.592686869119363 1.11641707967159 4.98056325665536 0.364815191445178 0.646687575598634 2.3463118570771 0.545577546804252 2.06983012384796 0.479656608257244 0.901140000642254 1.29930101369071 0.149067126235001 1.19041543121996 0.979188833345822 0.22394108391047 0.179524946211237 3.63239100416395 0.233517089305402 0.153177551085944 0.574926408409244 1.86174200661522 2.06843215122938 1.17851660761499 1.36000042816926 1.73739523233534 2.82458761948598 0.341989488444782 1.45464724205478 2.58655548538337 1.56776741846052 0.324772802688903 1.38094646813886 4.38392010361696 0.176292268333672 0.469406236285204 2.12855353721326 0.422722942379122 0.161456203637298 0.314111388231768 1.92457156313891 1.54880166129671 5.44341422164182 1.89105019214095 0.237985035484527 0.701045803406086 2.60680146862055 0.860249836760471 0.2797700731099 1.58172359533724 1.38949914901361 2.74751073099196 0.849856028087903 3.1451622226266 5.58544866785841 3.75529270720716 2.72770790293403 0.849248027745368 0.727209085751598 0.164175078408495 0.809047216364629 0.126598944562786 5.02868734010554 16.3248006336905 3.28620331617088 0.732963680542919 5.41281082411877 0.933269821560463 0.808878089508783 0.443063122852464 4.42941950953212 1.0204172509393 0.507339891459094 0.741636248809154 0.575729225762944 1.97691525460014 6.04581196947153 0.979582749060704 0.371650913606149 0.777763029725651 sulfate of piperine metabolite C16H19NO3 (3)* 0.645196176216786 6.42435364391299 0.239513173672827 4.83677757729937 0.878864968452668 13.436765249745 1.01357712005917 1.36653181069359 0.728608891528729 0.990121146238415 1.50186594345015 1 0.930691127522946 1.95102314143097 2.07595146187802 1.46506078810947 1.57080785261529 0.928474389713551 1.56223324622744 2.63998968584151 1.50009428988173 0.226518933023395 0.359560031866131 2.37204863048758 0.205351816715864 0.204362735099312 1.35735095463695 0.224217490195777 0.918040925657239 0.539303486416484 1.28036037977655 2.29192147384707 1.03971335875953 1.34425813105909 0.670651215954618 2.09807302270269 1.35040429192147 1.1694831759911 2.72093658716811 2.07946905175168 0.211786620073354 8.48037808318292 0.172700577669847 2.45381142793367 0.0885285775312985 1.12475128638339 0.170868659967595 0.379103053067885 0.179254686591979 0.248983016275588 0.471464802934147 8.48111700797038 0.252954737008201 2.79733448277189 0.204551314862779 0.0888980399250299 8.80289566151087 5.71461339224206 0.252258146453353 0.259389540365691 0.727744701485932 0.123577473569969 0.0900795498716503 0.773184727348299 1.02633574125317 1 2.28522496796068 0.229324538075794 0.753437732116673 0.784464876056913 0.471830416761277 1.08048892190104 0.201988169506267 4.22358632527315 0.418385372368062 1.86589284820869 0.269961552819652 5.29827160873933 1.20244999749843 0.477199167170188 0.447930818166774 2.75101698372441 0.553920342368485 1.02447688358471 3.36746113909874 0.325223120648714 1.01953917263515 2.14692287857388 0.400989851329872 1.70416838248594 0.343557691937638 0.459707431966964 1.15677136050678 1.05752067642407 1.29480789879809 0.225691491204101 0.175344542924988 3.06865842816843 0.194545041699219 0.174832683567006 0.130654987549887 0.596389274814595 1.89810919922875 2.26210662838626 0.792696960017242 1.314223917302 1.67078591578567 2.40760553731763 0.388474312742219 1.24261363855032 2.84331715652505 1.35768962849787 0.19260921269873 1.15716391430012 4.99264538922478 0.137667075897582 0.329164052848517 1.99667098988982 0.324488044427853 0.166119528781505 0.305860982077225 2.04573636549067 1.14858161077907 4.7237306465207 1.33873928655272 0.21250630202781 0.4569980410796 2.77040606226211 0.659340278713193 0.245908011561094 1.63558692564954 0.929297982966244 2.23112566724524 0.485535162428753 2.07923044062239 3.45961506636853 3.51317556775979 1.97433390933547 0.484507595146188 0.71604890758437 0.166315805678175 0.554424504593264 3.88780658643688 16.5265570338328 2.70071621824452 0.502214850079088 5.94026639778015 0.885943880201819 1.05909474016403 0.307923813775559 4.56534288804135 0.719782017187698 0.840068966313497 0.526684036530594 0.384491046309802 1.59986453045563 9.6571196557842 1.11272836432071 0.257049611872058 0.606626461974238 sulfate of piperine metabolite C18H21NO3 (1)* 0.372374921111619 8.48108637461644 0.360614567691672 1.39224826445562 0.251232834976388 0.462283737024221 4.12233466083437 0.313838654218624 1.28658353463472 0.690949054427542 4.96585057996562 1.59241365802703 1 4.90452946918997 1.26842191929053 1.59888733371755 0.77697274790934 1.29520353794945 1.14770468472495 2.59329459780525 1.79539760764988 1.02397054845274 0.229284529704426 0.179443902094777 1.96905470413192 0.422542665929594 0.382834829042237 0.444719539878383 1.42239564342927 0.667352771668176 0.497371237694217 0.892779430964115 1.00292868820644 0.385622375648369 2.97535314804578 0.262135237176698 1.73067830300749 1.14540525281989 30.6593312240505 1.96886063443149 1.69347572952565 0.262970324978535 0.910557391703226 9.95220592559485 0.419025887721857 5.98683266487103 0.754131332259089 8.76348196327966 12.075004998765 0.856429587984145 0.458151515507933 1.93653920796039 0.453576175297868 1.55293986191647 0.540395902188871 0.245627550840381 2.74738593994425 2.04137213159102 2.44227896637301 0.395261170769575 0.522182754848802 5.33169452252973 5.69856858893685 0.207501676056504 3.01978922854354 0.815898425094977 17.5312334599687 1.20256172004564 0.764387621881653 1.12666870537867 1.67102833417626 2.15202126533445 0.372849060820268 0.339780760047518 0.7331365192129 0.647304783524071 2.17515672598535 0.479334517354536 0.31976805730349 2.05082861881182 0.953723197798191 0.393573352465861 1.04878206560732 1.89221486456287 0.537120240881665 8.14896907822773 0.748526834546759 0.84787287846532 1.09751708401454 4.80660072217452 0.150362851530798 2.19717481563378 0.413915385610614 0.936315733759895 0.538708083885158 6.1206349019654 0.51234989002717 0.624445725173781 3.74929723244845 1.16635301866598 0.442867056374308 1 0.676750449888851 1.3332706037332 1.05487467802072 2.31397537079075 2.80808270897778 3.87997083073594 0.863704261300149 0.414903376812787 0.274232248503311 0.617171051857776 1.03322120417309 21.0493054657085 1.55620376142365 0.183878100704532 3.58614930428953 0.394614271768151 2.67139294997707 0.700585737641289 2.17425694828337 0.487685395372908 0.560955528634102 0.613101469048823 0.296991331553381 2.30412486326908 5.11651827195634 0.930858258547888 0.186312793309888 0.623845873372461 sulfate of piperine metabolite C18H21NO3 (3)* 0.434326512553085 6.49801275918272 1.20027454554393 0.25855307691435 0.245215306481317 2.63379557323673 1 0.441746049153485 4.01625718034919 1.37541645079925 0.444351584687468 5.78520674141255 1.24366207241305 0.934799685781618 1.73755623794901 1.87920445618796 0.901012283082197 1.60224594729701 0.844738627436978 0.442092765835892 2.46424873241448 0.678390344926087 0.580170320645576 0.50208883810612 1.88996107976862 0.808719560094266 0.460651289009498 1.23160215668071 2.70341176890666 1.67127579804328 1.26130114975362 10.7137666928515 1.58534778261801 1.79150896236521 0.965855530957652 10.9571341855317 0.411367207027066 7.26370242090981 0.844310147825466 7.51225630222095 8.86716239377276 1.03742947939727 0.176944226237235 0.649655430979076 2.16491109048061 0.667160608441048 2.10100514175534 0.316378633150039 0.84547954009855 0.281162965078912 3.39094301221167 1.94862707991145 0.942797971863172 0.511622509462258 0.403333214311219 3.05702349496537 2.72564807541241 0.383623152181675 3.14704884667571 0.590614511176177 0.663197172034564 12.9907162750839 1.01867456973506 0.734467614082697 1.79723987716918 1.69538670284939 0.246375776619296 0.436906377204885 0.938477469113761 0.599291223309291 2.69426194386917 0.521602513747054 2.66200992644433 0.720684853245733 0.592399842890809 0.543919160179962 0.951412197386274 0.486601085481683 2.51461294008427 0.960597729058059 0.916000142826537 0.935558451760337 7.0630311361851 0.249473327144183 2.74107334142684 0.450198171820324 0.697520174248375 5.81098693137185 0.579634721131186 0.351496107976862 2.35649503677783 1.20068913804185 0.428943797757623 1.51690709133757 1 1.60539705777333 2.43558523173606 1.62363422123831 1.13805077483396 0.56494144111976 1.31358458901664 11.8067199885739 1.76484503320717 0.19866278654574 3.56584303363565 1.3054166964222 0.581250446332929 0.378517103477826 1.72005998714561 3.17511426122974 0.73794901092623 0.484735413839891 5-hydroxyindole glucuronide 0.843658174956194 0.275286426742148 2.70186682841353 2.56194904973716 1.70010109179135 0.344426472570427 0.49601024396819 0.524437255694838 0.501381587815069 1.90444803881925 1.80784472300849 0.297257042728131 1 6.65938805768972 1.98614368513277 0.414820056611403 5.45802668823292 0.70618622882476 1.40414781695832 0.471825507714849 1.78026841481191 0.319016366204204 0.604952910344619 3.06350117440921 0.297423852213252 0.901417598767437 0.320383363417342 0.676459703792096 1.08093982946521 0.24937503304206 0.721510192059332 1.67114276435536 2.45740784097518 0.702251391542743 1.23941332406897 1.23316743072496 0.302816316357897 0.952585588375237 0.533015626062066 17.569916998346 0.490230879032075 0.238046326855831 2.87787654731245 0.423550114419933 0.678257191840311 0.60597249390138 2.01268059845779 0.607007182399722 1.25352889197701 0.337527472112502 0.922919483108899 1.40931370697924 1.94541074112396 1 0.861178034393952 0.236203523982871 9.11569630004456 0.684268958589803 0.411035670319545 2.37681542516634 1.33718761092692 1.25091573708339 4.3303752822736 0.44777088824609 4.13370894288066 0.395062194596962 0.512457800569456 0.581230599590656 1.06294229157069 0.392449039703339 0.723405862227828 0.585074807223183 2.53607437673235 0.831081438292537 4.25438987364716 0.23933024689027 2.47006578202059 0.534095629385153 0.878654451803908 0.351643040020543 0.55637541821807 0.392131835930125 2.04794308458012 0.553807578149192 0.946921235282123 0.302710581766825 0.334227042376914 4.25809813680546 0.989879689140302 0.596841556715279 2.53155799919944 0.484951701949293 0.238182271330066 10.6289320051055 0.999040836209566 4.34067685243227 1.60482451834118 2.84631477187762 3.17428081596894 0.717469620186244 0.787654731245327 0.700030965130242 2.62678710340088 6.54291691526883 2.77069188184915 3.27314265862077 1.38640706307068 8.85456962245199 13.1178940690447 3.58474249850839 0.659270280272191 1.58039982780367 0.416541421526052 0.434735323661136 3.65272984056734 0.877325216944723 1.82386127621651 1.01218213538559 0.719644731774 1.60532298141337 1.31968853610459 1.1490631159984 1.00154825651212 0.459341273497625 0.827531777020852 3.44589032301918 3.60463570657141 1.37137009372616 5.93347028480367 1.52115069444969 0.415589810206409 2.22124963181705 0.547788258928909 1.04046613849721 4.06406760971852 1.11630049770783 0.248053350653666 4.09093174832146 0.773146434856163 5.21514723541807 6.30705325247155 0.618252811407252 1.58691761009614 1.61859267259284 2.32693890806377 0.792760201499921 3.15552047852455 0.846828339891396 0.978505668129328 3.57670666958696 1.7551035821369 1.00163888616161 0.555031078417304 1.46160701473487 2-naphthol sulfate 2.57079104387491 9.68997732973976 1.43804651520225 0.577883047805157 1.39115804958914 1.2919029295685 0.283614287204203 8.96568172711155 0.634295218386514 0.311482788716468 5.08286995614156 0.571987682308963 2.11504745384983 3.72085389483854 0.682363854932291 0.864944531966165 2.52038951129945 0.450391652074631 1.02538739797011 5.7166162578152 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2.78039025572658 0.968125075748394 3.62782962334532 2.48669521539477 0.37155092312043 0.130327637054094 12.9759086440701 2.16837689707645 2.99437778585761 1.14571971074213 6.3201564793493 4.36860178564214 1.37621702419909 0.414751073943899 0.364474339810663 1.96213926931416 1.08722848408947 1.41375456173663 1.80912751316339 0.68588992580024 1.2266795943926 2.14973942552418 4.99309174645498 0.642858104741513 1.26521364413741 0.410596695350059 5.0398470219098 0.598041988176517 1.34425456846982 1.0175062955332 0.451891353236645 1.89352805720519 0.373139956099597 0.955271414912671 0.952719535679177 0.742677655233709 0.633687499158351 0.547091934984312 3.93081646669091 1.10333427598002 2.6297351162822 2.4696871759652 1.37412973511628 68.4053448066901 0.215556363538426 1.90798421740126 1.39269987476266 0.24440135202467 2.25221185310871 3.65149678826809 0.460368440189068 0.341911418144602 1.87768485974764 0.463714835912145 1.03955076152386 4.36240051710904 2.72919780767314 3.06675285150622 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0.724632704453332 0.441077849149598 2.3581114747034 1.21308528259201 0.846032130785494 4.85180920831145 1.67980985469775 1.5509567863828 0.185263739075398 (2,4 or 2,5)-dimethylphenol sulfate 0.388868739831922 0.865019740318954 6.48144617265785 0.357491476948903 1.13498025968105 0.513486627358735 2.01651762121385 2.8874024641721 1.29507890946396 5.58015812979907 3.56144368568853 1.20335119115468 0.737417489611722 0.725987793125602 3.48326995015699 0.40269214428567 0.364776224573329 0.536636166751293 3.1155872621756 2.47835151975955 83.2708718198504 2.9265632703491 0.288329601007431 4.02537585610844 0.51763895241433 1.66266505889551 0.521642540199229 0.372678186386614 3.50387587689859 0.405348413117987 0.299544398838128 3.58708397436278 8.181290058153 2.62808807893127 2.5308377240138 1.12281035230385 2.88004086748362 2.36708266755371 197.795104218023 0.309891950650138 0.563828712971268 0.460935318891113 0.451181771201492 1.54221290295755 5.96750797450534 0.492073014986724 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0.0548883244048356 0.0430199096875513 0.13108467185802 3.41546088822991 4.56362595256684 0.44368746582909 0.250887037441192 0.144534791892129 0.185970746326416 4.39709015720306 0.261651858335002 1.65213057731119 0.873714442566998 0.459129904580196 0.122650785115321 0.50629307222071 0.166696665819191 0.433408631206168 3.75230562236617 4.73832564230061 0.0708257491725859 0.202210787545252 1.03723869800678 8.41660610587751 0.388576397716765 3.36347948170464 0.821352796783491 0.455969868851205 1.08913235701091 5.67266124731976 1.08253666833912 2.44545816580682 0.548515379440531 4.03369729805133 1.89890585590957 5.50687243085383 0.353218646573234 3.63215676657134 1.00603882940307 0.0899625835570145 0.796021887381682 1.13454394913344 2.52319571972092 0.137429492616834 0.867654238767755 0.922355818448129 0.0989409549180236 1.08172669122097 0.131800151645716 0.0384221645738508 0.682323599358318 0.324686077618307 0.256477004524622 0.431276816429936 0.0654765252881606 3.83375669637333 15.7377946573009 0.0912607968824881 8.0001372461228 6.46150358752365 0.585976821154802 7.28048607626835 2.70395448828571 9.12870986394634 1.35221517492131 18.953280069838 0.224873272330057 3.39142031737603 2.26782680889265 0.218229210024817 0.129246473787116 2.53176685258642 0.295731645581012 0.207794004819364 1.34032876071251 2.06388244532092 0.840463756898868 0.104461173971835 0.412943209354336 1.08864187086715 7.28417372209235 0.910774270626855 0.520055933419881 2.02910405281051 0.413659814110251 0.222136224651654 0.937863505355974 13.2556276535188 0.0473791615386865 0.9499805380498 0.802546703055639 0.491606612113208 0.261670982794736 0.15676657134436 0.352965528723813 0.371649000915724 36.9091194423758 0.748142114985252 4.29851481695642 26.9982619241006 10.4323286617153 2.26184197796412 0.0690966730189872 0.320449447303114 2.3524435434699 1.8135837662586 0.884540011744668 0.714459441520777 0.804911386253338 0.662537658311153 10.8641972114288 0.511359929082004 0.259876658484398 2.91162587156913 19.248365983661 7.25657937663261 0.312453173197857 5.47463984142448 0.936516918397055 5.02375370395786 6.59359960581114 1.20573981285029 3.37846968323145 2.71061767505068 3.36409708925723 24.0672393504884 6.66605768387043 1.10878667677638 0.878366186155241 0.205395572575075 0.376922851929433 1.400854300866 4.99869953673809 0.804902386507581 0.456028367198627 0.418421804584021 2.36186515230945 1.09634790317173 3.47209741324808 2.13401071419732 0.643779938216745 18.8199409616678 1.46371190013882 0.421024981044286 24.9824347462184 2.16987020116682 1.79689036284725 0.120759713538093 0.211706644287299 1.22025415282018 0.644285048947367 6.36655401984894 0.38248919468025 1.95263883795283 5.52974528469571 1.10973277504911 9.8385018123238 0.0783641612124457 5.45651772837417 11.2206400169195 0.609369410314159 2.46133034241783 3.61653770780975 1.92737992651708 10.7879142414227 0.90488168709234 2.39803513050756 0.260462766926834 0.0626483551839661 0.719754666930659 6.46724767525317 0.586920669491087 1.251551893659 0.146700355714951 1.51701964419505 0.0607572836067381 0.132100518160362 6.9532271963317 2.82431821301048 1.12979320834186 0.374657165935062 0.886148716298765 0.301652353321019 2.16891735308478 2.62307714807057 11.0094002344434 0.222246471537179 2.3940347435185 1.30594635701541 1.40257437727384 10.4188099186198 1.2092215894901 19.1535334126811 1.67936718287708 0.0552539390762211 0.283223123946748 0.250005062356988 0.536869708430737 16.6528190578616 11beta-hydroxyetiocholanolone glucuronide* 2.9314377474925 1.28396795103537 24.7842916354893 0.672460758514583 0.90242385007945 0.606324037564211 1 0.722299757026475 0.873250212286557 3.42318169207099 5.72883650151753 0.754907812986052 0.646553391120116 0.772769309669338 11.1227646856057 1.72599900792817 0.968997755227294 33.2664679720538 2.92022229134964 0.144395016230629 0.657458574320275 9.56832577595681 0.59919617882386 0.961064057793923 0.714975317341495 1.00670111242761 0.122404124121858 0.255731471414378 0.141256248743419 1.53989728734753 2.73843409076269 1.10411221484161 1.62855575704222 0.194966650595448 1.17586662580543 0.326014097126115 1.97664272900998 1.47360448796903 9.1351524390839 0.946857621368604 7.45367487600112 1.83808800651177 14.7090374251176 9.54888415644648 2.68279123877861 1.22570041557438 14.5720247587853 8.03383934897902 0.069907847504309 9.34665617808211 0.148736197133337 1.72077071576782 0.22423058229212 0.255629968983199 0.201626771656617 1.01246332736681 6.81197650609112 0.133967593396876 1.26520438100109 2.57115027630133 0.76001506920709 0.445216990726191 0.705320874560563 9.48940373177592 0.274521133001368 1.28125347694626 6.29306484638974 28.8236727093146 1.20390081650898 2.45605823116398 0.358596377534389 0.229102698988684 0.469288682674121 1.09870135447186 0.239526217882776 0.899331059939138 0.136817469349194 0.132878394231539 2.79991333253953 0.256547394803466 0.348567156546028 0.230808720620414 0.275313632752492 0.226272342734671 9.64571357185103 5.7723690862634 0.795962545602895 17.0579012810778 4.18638969516087 11.469462407989 3.08824270012083 6.91431047641728 0.0949360046691118 2.67234820018622 0.74282602288099 2.41988432626785 0.444920291311978 0.42867990232343 0.483210131504208 4.9121125583883 0.362925846618115 0.922504845765104 1.01160836458112 0.925487455665885 0.651270829958052 0.993298887572394 0.271800087057854 0.942801428061128 12.6877141066908 1.18248380353033 0.152066257663922 0.206994688690092 0.504010322016463 0.196083177338411 0.505083905423158 3.89332484877114 0.131695500514344 2.57958278596846 32.1690679148863 8.2304925015079 1.66349992094522 1.91373074137766 0.968450311631983 0.766468281466242 1.89474197886798 0.709950946998163 0.332760104859819 2.44078601921129 0.682998147580631 0.326736325963346 0.161388865573694 1.0869036488172 84.7528747635677 1.95225481794953 0.525392199538164 2.74603506128209 0.634819628227826 1.83718619645015 1.12546676478568 2.86555417399469 1.40039000357211 2.03885591144303 12.7383325883315 0.458806604685118 1.12895688684236 0.180537689609469 0.297413835171764 3.27255940332186 0.625930357620393 0.260740225999067 0.626761896768124 4.96399982041878 2.58312756318038 0.277749691100774 0.396277203139548 0.813764510455726 5.53724260837825 0.28879784034058 4.66829200687874 16.8991007274992 1.73482489854637 5.19977435228761 1.14365912360459 0.644641940414169 0.55848199210233 0.623178080159593 9.67942799476091 0.736400138199464 26.0024985213829 6.08845546483234 22.0731481174227 0.455175940800659 15.6110622034226 0.849805681403388 52.4480395391009 1.08365557101949 0.839249428560832 0.240568569772186 0.230906319111932 0.926873354245437 0.538767096815752 0.696045113926719 0.382078574593551 10.5347655586635 0.243410637845182 4.11673950767417 0.38697801886774 4.92450366287139 1.17779126805816 9.13237283404548 0.29326004337277 3.44021799599065 31.6066312319077 0.705961120664919 1.11767840516257 0.433052314743423 3.65137428435906 0.114276121748262 2.36298440571303 21-hydroxypregnanolone monosulfate (1) 1.23804941331961 0.895445118813057 0.374452223538476 1.25025504532955 1.3268021426853 1.05898475209594 0.477377859933673 4.29943387550134 0.241481485993063 9.77563928824842 6.05343922916927 0.737606319642602 0.360084416197434 0.661978908131911 0.494358549576244 1.3945726353872 0.448782329850505 0.452156541493972 0.94101524790406 2.01047589174506 1.42997140446992 5.8973484421679 4.02348791998208 0.654879344361815 0.635084448106151 1.15184759592105 0.82323352774104 1.1706017966452 0.150705721657308 2.04464872912285 0.67168946801668 0.197153986803402 2.27006049042777 0.453923928047467 1.27626852835534 0.670424733863799 0.241477498572657 1.16820241528088 0.323916484183596 0.586771603466094 1.83996415382058 1.13200211029927 0.229292688391186 0.646336968540641 0.976895113789939 0.716677868597735 0.494236425789013 1.42193699455803 0.36428679834356 0.419761651815074 0.53986080697266 0.977733451856991 3.31549696825156 0.278089745535488 0.507570337286531 1.3079808338573 0.450837976714437 0.489921875564613 1.66986825083653 2.77327291517609 5.73322059131742 1.39881042719106 1.98865352788558 0.476226611451987 1.35372807493008 0.804407056493868 5.84683708055995 0.196351783997861 0.205190468963424 1.07526252267488 1.19579530097059 0.497560869848015 0.57089376955821 0.633935346790105 0.535936517572578 1.25794072371702 9.20899912552667 0.738554155916426 2.96661101836394 0.924441168180734 2.63918218676149 0.718658080928532 1.04766240993286 1.99716699549755 1.37963705743339 1.29557921210676 2.00037580671971 0.440243118039445 0.229827490261547 1.39842016636674 0.40321892909539 0.39286256314637 3.52415642232003 1.00345453100044 1.26322369894991 2.86821470126979 1.11764195737485 1.21602382036439 3.07022526722026 0.728356785118054 0.262269728046022 1.22961790574478 1.58534064711026 1.9641465935289 3.07891941113978 0.649936040587126 0.547058951065629 11.8871568053538 0.644732562929558 0.637100795698459 0.913470502786029 1.36373754236859 4.87823139576061 1.67318546784323 1.24856723688109 0.369577000628754 1.7550679704269 0.996545468999559 1.23570308378322 0.227298021955785 4.16852040558218 0.220504592791738 21-hydroxypregnanolone monosulfate (2) 0.63227465136209 0.307505778170203 0.784376866543745 0.662610044926896 1.23139948580778 1.42626340665334 0.565650401225751 1.65953268236944 21.9143337574986 1 1.15691952112603 0.561615420572883 2.67937972316722 1.17687693146701 0.298273690497832 3.75340197886099 0.137257511621264 1.18887480927875 0.518373891230702 0.482329514598257 0.248359150740904 7.06539605368642 0.653055419069539 1.36068685510357 0.617579973622282 0.595070987095606 0.423786495642504 0.291923763221185 1.41654038118389 2.04338876102304 1.23793219374693 1.09890092839225 5.68640513072487 0.408290878998681 1.06795624401976 0.915570612118234 0.370167317489462 1.01132690268691 0.268359667951072 0.678988336910704 5.1748015205979 1.50004396286431 0.66534433266958 0.351092606480643 3.29063590990199 1.95118053220926 1.97744446455817 1.62833277302232 0.43034989267889 4.98677493599524 0.44018205797926 0.799363831492927 3.22699837078797 1.0264553001112 0.327228529312886 0.389371331040368 0.310181282164007 0.240621686622359 0.4412992319429 0.988673097313093 0.305459153326954 0.604153197651866 4.11208978768523 15.6102355892317 1.01414052600274 0.854694975303215 1.18898859551579 4.68706198763868 2.03287905040213 0.769815614574983 58.3123535648711 3.37779616747265 0.322351237425328 9.3813597455326 2.43526338927823 4.33511598438025 0.169634591016059 15.6334014326722 0.539967415759394 2.85465877059143 1.7220771160361 0.406051358969717 0.475678191833251 1.45246062737593 0.395996793296956 3.76801572318912 0.286084460420492 33.944844707647 0.461237683932866 1.57560319635884 0.459106778039256 3.13125242442266 0.663642711215703 2.87918487677468 4.11348108303809 0.296868292430629 0.487822286586154 2.14319480720991 0.426300137060695 5.90296102821382 0.947725568284672 0.167146810106287 0.584881946779074 0.365471049160827 2.34312756988802 2.72735783185497 3.42172282707078 2.97004835915074 5.06285137965812 12.3333936745196 0.628927564715922 0.502769660451525 18.9022472781815 2.76928806020326 0.358286999922419 0.237601179239184 0.494411544130958 2.18114251726189 3.23689260130854 0.261485944813675 4.37708758954201 0.505174687734361 13.7563474617911 1.97129483565647 0.326287206806486 0.790286793038351 0.257193100416354 15.3220771160361 3.73575215288733 4.83027748325532 1.16731231736016 1.80626858724043 2.64630582637255 0.417895471824976 4.01127000956839 1.7156119889317 0.55479065918436 5.66561845405881 0.402311929452533 2.47683157050868 1.81052005482428 0.191321213375055 0.562254001913678 0.689637694277069 0.219255734567742 0.638640771677571 0.57511701880059 2.55450619359177 0.492456489694587 2.75609920091029 0.311582921720241 3.02951718430784 0.218505779823631 1.15257182756213 0.830287827458688 0.659918798003569 4.88382942408648 0.456691406553053 0.296226951821873 cholic acid glucuronide 0.53746155909451 0.284783951194865 2.05584769604082 5.53784206947745 2.83755325585892 1.72713039030385 0.739456431561153 7.09195251729451 1.61039479511699 0.470710057326073 0.297740017840323 0.414600370529783 0.46195831851838 3.78983974898791 1 0.731016586509971 0.72606995153171 2.17735526570229 2.68326565238817 7.16484208819108 0.419409772255179 1.05710443675657 0.579783010322771 0.447945221877731 0.662429023466648 0.40105182932912 0.725387153796122 1.00412192601282 1.37215046426534 0.852340878891988 1.19226211139974 0.829396953844803 0.775041797846064 2.84979510077371 0.686306666507057 8.00226646076988 0.579870795775126 0.649053712726098 1.58785528169155 0.365881784917661 4.07990072263388 2.0904908403861 0.300625271835634 0.995878073987175 1.72780125373587 0.339314714836938 0.600556240548101 0.497152958170232 1.52327711074135 0.844551915119448 1.05601110884997 0.950955863868705 2.77275139558918 1.18203111595261 31.6318038713385 2.65551791421765 8.44626133729166 0.517630910055824 0.334765832305845 1.30089261844053 0.226031578821361 1.63058285550116 0.70288215601071 1.23949068476643 0.736974833506909 1.05242786629478 0.762097433871618 3.36478446676323 0.674695045309264 0.322499810463228 0.218051083152775 1.10513904018579 1.1380585848187 0.150552050787874 3.89260646978784 0.947580114200893 1.67678992542227 0.546600109332791 0.327782898595832 0.305277900810419 2.14509339175056 2.23476224108279 13.3834668071234 1.42589112209759 5.70586287114293 1.98192417731065 2.73114907166884 0.702267657844229 0.482652397540411 0.611377792674703 0.756606852851631 0.523257159502177 0.715627007593442 0.372194356991513 5.07896301439282 4.03370163320844 1.87575964343145 0.718547869008144 1.15678880815287 11.5022006216806 7.11896923917945 5.24837297644557 0.754970851239571 0.709218669571567 1.07794949144291 0.352195234846036 1.01383418924149 0.409016364006368 15.9302105653782 0.571451372844767 3.97459808228689 2.60003750832964 1.50350144247459 deoxycholic acid glucuronide 0.650041867161315 0.540208826251661 2.62665785973246 3.39794565710909 1.32615545379668 5.17833509395965 1.91974776271168 2.97213951461472 1.73052226336688 1.67947170563241 2.73548471981705 0.339765513475446 0.218112319592843 0.454602839970096 0.424835326301476 0.609671048078408 5.27981485664395 0.450100504003048 0.388572128258775 1.70026078564242 0.737875445004955 0.188790856607444 0.207246631423719 0.325496454790691 0.189921384042413 1.38554179757285 0.0699132159531757 1.73006708632697 0.776785666752607 3.31920155026379 0.630689427800251 2.18309334817887 1.40324578875679 5.18698079586394 1 3.33194546990357 0.730773819305931 0.934409318776259 0.840005538677071 3.39285079445998 0.776009862294881 0.438897994912658 2.25691412319532 1.92022580170674 7.27050544261265 0.378674943379484 0.482498307493361 0.973050694706299 11.4914929082415 0.839242772769065 1.31732738708118 1.05715426030153 0.53071354546722 0.799847255168673 1.57105629183654 2.09939338070595 0.760466111297703 1.88391105344584 0.9617855238338 4.72223582402914 0.235711914048931 0.288902378900132 0.0498509683821074 1.19340379974329 0.245334646772786 1.00090027458614 0.52003865574966 0.648502425087716 1.04288018873665 1.04800106940547 2.53495092090089 1.59115268206604 3.15847659549594 2.56787826026129 1.05190114132203 0.938521163639639 0.117425703390427 0.428336178533218 0.300631342108655 0.733083198499766 3.33797381202324 1.04935794946293 8.3618030597837 1.34803638086742 0.302829564461625 0.287021336843079 1.34880681276445 0.81715514189027 2.95276744599431 0.999099725413856 3.0768817248092 0.655094217400741 11.2307841204787 2.42539627174206 1.84443312646343 2.02000248186395 1.10338400711787 0.357272460269814 1.24066558033214 0.729717829317713 3.86052116268139 6.48791049574514 3.31948344649451 0.265247053265687 0.585348091001039 0.735995316080706 0.986428803803864 4.9010373520524 1.53763641268127 1.68815331594751 2.04404493994416 0.405720552660314 2.72981461242916 11.4762117173684 0.886597503474849 0.518198818383617 0.156459961258008 0.403350803802906 1.04491071757969 0.533090960313654 8.57259955125217 0.628849703973043 3.14452928671326 0.76331785921507 0.261331649371077 0.544585152608281 1.40524286571918 1.22005940183246 1.85622629233003 1.13154597605049 0.349995520187663 1.084814106953 0.159061606283428 24.8337778808427 5.1095877087365 0.172156073787061 0.914003414239862 1.01207249534171 1.38341204547273 1.45221717171959 0.898618732514957 0.567615700137173 0.179680242015273 0.799496536170771 5.89346191752258 4.17513047752883 0.398268253079212 3.33440146113751 4.9780757505123 0.905913879321042 5.73559716377571 0.37978938653402 1.34902816819755 11.3254437529616 0.976230163654492 1.57159386931693 2.33918455916491 2.51931230328952 5.85606626480913 0.385807187918785 2.31976181772099 5.01883773065643 1.30178459433263 0.81135198819821 1.0048003465027 1.27726971967874 1.7073096642728 0.138438179308442 0.734440078557222 0.327631913703962 0.205158156540454 0.3178932328961 0.693724094347243 2.98229779396792 0.0835429901477667 1.6806463961946 0.94556524930515 0.471052027630141 1.95882309819988 2.43666048436593 14.3060665283275 0.653278336250402 2.36694502192233 0.83595597997452 0.0307751129415789 1.34380858792003 0.390912736609553 0.965145143524084 0.276187377853245 0.410611453658378 0.763337024187633 0.0736672797860806 1.43346712081263 0.739449802385177 0.307967693605751 10.7074529224427 6.5456104786404 0.127496896472256 6.96884589972599 0.852955310637853 1.4498752120724 1.4727256088592 2.9818713733284 0.699459212386705 2.50032077372827 1.07392936078588 0.357859866678868 0.136668294092254 2.50111803658689 2.13598027157724 0.209104224391165 1.12646534182406 1.2670653300376 1.54552567363681 0.156642986745984 0.172991666590805 0.553455660159041 0.818443986295128 0.256300844073304 1.09036045001272 2.29709157167628 0.112742742344672 1.29848917730043 3.81989429559383 1.06428746308946 0.173638484414805 0.16926503767594 0.725056907990404 0.654041102158407 0.505117766360778 0.365307375016829 0.37676323736633 1.10801713923496 2.31650664713117 0.530384866187766 5.11201686900885 0.150749757682878 5.08709665518525 0.600953169910418 1.35898341319537 1.29552723079083 0.0277269240554424 0.442870893724957 0.823593614422792 1.72994828811278 1.63740446860083 12.9428486144444 12.0444799848213 0.7024412821175 7.22979904088895 0.422047192786688 0.0794780994671659 0.570770254621034 0.747486633629448 2.14669636598582 0.444895673076232 5.86383191169164 1.51976795051221 0.331217680070489 0.572351364857477 0.735797916863307 0.310668996488498 0.593658023104333 2.53088219722577 1.83790553680849 2.71143348724403 1.55924683574325 0.109294963780597 15.5855929235255 0.838297939621712 3.01658392988303 0.748113328232257 8.62334073260982 0.354935291865763 4.26529975694024 0.688912727985316 0.618513076021218 1.00962608659405 0.297587944465659 4-allylcatechol sulfate 0.437640457089933 0.495226161452446 0.636938568892642 0.991841571212596 5.17931745231837 2.08506194867045 1.80714872674939 2.48721755356097 0.982961278108443 0.591293135932953 1.32181074442825 0.407449276546674 0.736038281508924 1.6183562377703 1.16507992717797 1.27605635081698 1.0081584287874 0.28017415544145 0.359116700182211 0.485796017786841 1.33164339460541 1.91880741307201 0.968372655092003 0.385428762945969 0.736577260411061 0.303008846215576 0.575051217416754 0.890153982685209 0.856213593149612 0.438449410409645 0.315895809140775 1.2687757857271 5.58656923556235 0.278603865144778 0.272420011140378 1.87428366424033 0.491375647888521 0.924160459210166 1.7508614911113 1.32283494302357 1.4606546388346 0.306870214593896 0.280803617790618 1 0.554205492772916 0.25200857242662 0.902889889634728 0.206531282748464 3.46547898905788 21.334900539081 1.80388213857498 1.45071326743516 0.565260901992995 0.592979673530273 0.723879117455462 0.676164311137546 2.0443254878636 0.721707687805062 1.87655894487401 1.14663758839135 4.12530093182655 0.50562211459484 1.86075471341849 2.75422248657018 5.27699889540318 0.861245645339451 0.222684831147742 1.69717997375402 0.281266226716138 8.26066596803278 2.0458832526128 2.19111413223063 2.45651004050188 0.809499532670575 0.217813275932063 1.74885055843506 0.815636181682575 6.86106626636833 3.42847027501629 1.80932959469794 0.424325676683566 2.91555026859641 3.29994996270806 0.334286874179813 1.84011669074121 0.222618744158382 17.2731469680233 0.325034695669414 2.15017796282135 1.52619405028276 12.0133118078568 5.37782875916957 0.239952417367661 2.78526448957242 15.8672029153803 0.50519726966324 4.80540213933026 0.942853636200565 2.70854693592394 0.433294625239565 5.04603430858848 1.90281436164689 0.668233872414347 0.451251404348524 2.10361495831799 0.491687200838361 0.349420794743252 1.32115444529413 0.765513920752259 0.534577656932997 1.11128104908375 2.53115057448476 1.43977115019685 5.07672699464695 0.796725861727136 0.422749029937406 1.67982741854779 1.53045194059724 1.49064869100556 0.935801210336005 2.92493462108553 1.17538542876295 0.99823453328424 1.88147770508209 1.43922357228501 0.331152462684454 1.5568584133458 0.866258815532331 0.75471341849114 0.785273930570897 1.2579186374751 2.38532491196269 0.88141161809273 4.0075055937916 0.635870129624909 0.233079370474221 0.575315565374194 0.901011130937208 1.43791127349629 8.20761699757366 5.91089585634577 0.550778410324676 3.76647690259722 0.87855099555329 1.02224299241888 1.15747585464639 0.487268813549721 0.268983487693659 0.680969779363866 0.649342434455868 0.718573276309702 1.55205294511948 0.711974018372183 0.213715882591743 1.40108193842581 1.84939719224705 1.36711322589477 0.320842892344294 1.19180332511967 triclosan sulfate 42.8618672943499 3.55769592164084 0.270471996279458 0.412099353650782 0.708022892721216 53.3111416937956 0.257457693074288 1.27411471037671 1.77620561687911 0.136593236586593 2.9095092111882 0.302096601209176 0.725885289623295 285.442738774309 5.36365827962908 0.677013316122664 0.406148862887142 5.24427203164711 1.13654929404072 1.03101515329753 1.99003094128815 2.08332535407394 1.65427282501347 0.455676809901212 0.408003698728699 4.3590393154069 1.41517408920174 1.35798605316649 1.36825604394703 0.1683140417639 0.354421376025563 9.20181872399331 2.1189338250381 0.554349699478293 0.355745477127795 0.203030659506307 3.37091518913581 0.295400390117391 0.605322120422071 0.651999420021831 1.57895226396667 14.3008773537675 0.901669078682793 0.510933409204691 0.352380509450635 0.326483937066897 0.370584163860247 3.86287346353661 26.5908719096328 0.81032798859741 0.309051763051561 0.335807359704102 128.078931745871 6.07386514413278 5.53288229999644 0.968984846702469 4.24288500838506 3.54348058030646 0.477174302589931 7.7811457851728 1.23811113147722 0.613080696302092 4.61199186936265 0.251453365104465 0.453597642881178 1.51628179278912 3.38673874445669 0.606164730214401 0.814956870963065 235.64721460013 8.49568436056039 3.29967636123886 48.357934073991 1.83720669382351 2.32979966131464 1.65636840650998 0.805250443874801 0.183426303104251 1.55462600983227 0.465793598901324 4.16189050997043 0.563700479576288 3.58056635415327 2.12151636933666 1.25197042111339 0.342083161209309 1.10769264439952 15.8064787938643 0.196038092528404 0.580530789454246 0.902424144600595 15.3426877610928 0.468616888854844 0.225206617222616 7.93815025264615 4.60915763642482 8.01958247043342 0.731270398406702 0.217130694797432 0.247978967584145 12.4628116356752 2.80332995012735 0.330368696499066 0.220725465145227 1.2425156826644 0.634616489435917 0.296040554699875 0.922509992312554 0.433074075796581 0.525985484131305 1.60561484525252 1.05829601319724 113.527596838572 0.588223707428371 0.525925297717567 0.412791254366935 0.684511026424571 0.926958315436994 methyl vanillate sulfate 0.597277337076148 0.309403821267579 0.17755171456609 1 20.5722322786468 12.5183967409365 1.07269165959676 0.614073086531732 14.5195031648415 2.38480485106283 0.834267082129495 28.045050610097 0.631369268000892 1.73940649782553 0.90915323612177 0.771721667945766 1.4577334356613 1.91970836531082 0.285264773599386 0.988426707597851 0.917544128933231 0.633256587362497 2.06208749040675 1.03914044512663 0.896740854438475 0.789260680480941 1.06515732924022 1.03128677411103 0.411905858275774 57.106144794065 1.51622409823484 13.9822870299309 5.91027884369404 0.699948836019442 49.372755180353 2.63159887439243 0.414105909439754 1.05306728063443 0.405796878997186 0.241376311077002 2.71628037861346 7.90145817344589 2.85929905346636 0.267106676899463 0.688795088257867 3.29711435149655 0.207577385520593 0.526748529035559 0.372294704528012 1.36042977743668 0.584850345356869 27.109352775646 0.74129444870811 0.880393962650294 0.890928626247122 0.171266308518803 15.5080378613456 0.302967510872346 1.82034791506779 3.16880020465592 13.1510821181888 0.399442312611921 0.685981069327194 5.60883090304426 11.4659094397544 0.475410590943976 21.7023893578921 0.209276029675109 2.09396776669225 22.257155282681 1.09062164236378 4.19096955743157 2.6117523663341 0.619882322844717 0.443852647735994 0.149465336403172 0.698122281913533 0.232657968789972 1.50916346891788 1.82572524942441 2.66808390892812 0.249700690713738 1.01157329240215 0.493880787925301 0.167782041442824 13.1328523919161 0.552279355333845 3.27976976208749 8.83158352519826 3.46320798158097 0.693655666410847 0.48189818367869 5.45835251982604 0.94822205167562 0.710283960092095 9.33241749808135 0.636188283448452 0.697641340496291 0.516055257099002 4.73783576362241 0.255195702225633 1.09816321309798 0.509030442568432 2.22678946022001 0.254893834740343 5.5097979022768 0.619805576873881 73.4180046047583 0.660281401893067 5.2202660526989 3.69650550012791 3.54632386799693 1.24846252238424 10.8516705039652 0.337395753389614 0.345576873880788 0.625663852647736 6.53203376822717 84.568068559734 0.671235610130468 0.406682015860834 3.86984906625736 1.71928882067025 0.401887950882579 0.911823995906882 4-methylhexanoylglutamine 1.90328036949072 0.700476762223605 6.53617783932061 0.468077088244831 7.57341174202256 8.5003461784528 0.148567522326319 0.359552334294453 4.35731751137131 1 0.543890169408342 0.359267503921895 2.11522484071409 0.39444624593569 5.72211948853229 4.92906847322156 2.70196664417237 0.210187286924971 0.258893280632411 4.80730567995583 0.435505639641377 0.440842922622543 3.68384266846621 1.88450347493055 24.4105325889766 0.752298362006258 1.0907162826569 9.73787279913762 0.200498672252263 0.146490451609511 0.189289501590668 0.812612288896874 7.72348229231484 0.401384766603708 0.254635161700651 1.40594283621786 4.10018116640327 0.286416374359172 0.590597656400571 0.203002736769071 0.273185445014069 1.98649924835216 1.45116216320395 1 0.987800177311799 3.23470685734109 0.228399761014532 0.254726708553367 2.30058204525306 2.12446035539452 0.698897583163088 3.23663897775893 0.260551979339321 2.36136915545619 4.60394422387542 0.170908337509155 2.72312377134487 0.211203407470223 26.9150782484678 1.33155379100335 0.373901437767413 1.4001079289211 1.93942007477932 0.822143738195274 0.236142697452107 0.726506186639941 0.284252977681841 0.135330339590641 2.84644701846356 0.153923987202714 0.323039933700806 0.300201403075974 9.1301507150291 1.24021412327025 1.68368153259068 0.158308599622249 2.34898142080715 0.191005280807925 1.14188798519832 4.83644432024053 1.93121458582277 2.94028736075242 0.65975889449948 0.610164591604672 1.96553501908029 0.392287900397024 0.742994256639556 1.56488262729831 1.81966715491655 4.57345430366573 0.648460085572216 0.780451374166442 1.42040242069152 0.329568669776048 0.368688085418032 0.48435512469645 0.25885595343638 0.572543653393979 6.40338916085264 0.346027830243226 2.12686466484215 0.486402883244035 0.952655822379833 4.63382222564854 0.9634824422773 0.18090139922137 0.347993678448907 0.355543884670239 1.25758393400917 0.176169872412597 3.15775450025055 2.50914504876075 0.202193269860849 1.309409089157 4.07162818486682 0.373409975715993 0.51074952781097 1.26066761746907 1.3779343175423 0.273079443395136 1.09969934086266 1.89281309023629 0.66550225494353 1.19816520834136 0.72418378753421 0.630757815210269 0.384699148132444 0.234841768492464 6.929971475928 0.386091623944802 0.427832170527695 0.235391049608758 1.93506919014763 1.07352175924141 9.07117526885865 1.38572061827853 0.644157383494584 1.7349477701114 0.197119646918244 6.64087615156304 1.45029969548626 0.183508075396061 1.21353062483136 1.42125043364299 0.223176772154338 0.768747831785067 0.698011024168369 1.04240064757353 6.25670219326986 2.02583548548742 8.52950699610685 0.64108815480091 14.7151832864357 0.677311798943839 4.90833269089928 0.161719924449755 0.16456751339475 0.869107273638361 2.9740199668504 1.47487761631269 0.379972439579077 2.710548124735 0.552441891839803 3.18651948502486 0.719095709825386 1.42835254211155 8.01374166441815 1.03506726284547 3.15315306633774 0.731044983232471 1.46844042709016 0.334227922753729 1.2535606907451 13.8130950545427 4.30249971090468 0.31954188027599 1.03484562309679 3.95127780133369 5.38147573526578 0.395337856069075 0.231078711020314 0.259149867016151 0.329178391088155 2.45948329029025 1.96147322977296 0.687155494738465 0.19115946498092 1.65991789692788 2.26642543267934 0.720950738156728 0.213911267008442 0.362843541610454 0.164297691092009 0.509371506764831 5.42278263886212 16.7452877462129 0.251936938673245 2.42482076089889 1.32447577381182 1.52293007747755 0.504500250549281 0.19338549897853 1.83034922715183 10.0217158771152 20.0713583625641 0.454867401611225 0.506596191650927 0.844996723586324 2.08416528543345 3.88796592529777 1.27902035231084 2.35133272944532 5.4734658674787 1.00462552518984 2.74270516131519 1.36750761284354 0.56887696102995 1.24614539567513 2.60572697837567 0.135055699032494 0.241264502948772 0.420956520063216 0.391145973865783 0.108213198165208 0.30029294992869 5.28476371275489 0.894195929537833 0.289268781559573 5.8909195158617 3.93264560767837 0.862535173264464 0.157648498631616 1.09927533438693 6.36728597309486 0.728939405620013 2.47818775777666 1.18362371352581 5.97115310488378 0.399284007246656 0.175447134101685 6.31099911344101 0.196753459507382 1.97659291523725 3.62773195081525 0.470512276914775 0.220054542651197 0.550413406313842 1.22335022934896 pravastatin 1 32.4255022571105 1.7645373559978 0.308084493414184 0.237962380278565 28.4026466939969 0.324747461887388 1.13857749291584 0.861422507084162 0.517646202925332 3.13367987224864 benazeprilat 1 0.0174583623187427 1.98254163768126 sulfociprofloxacin* 0.00778026170392002 0.449606481815011 1 2.5754313763445 0.889401625604301 1.36144816595823 4.03131037836123 4-hydroxy duloxetine glucuronide* 1.21799006947229 1 5.56289116697877 0.379438776221998 0.408292031140796 0.077520761355459 2.11497693332739 0.397964570346938 3.84233295845209 0.415615941588731 0.839144892726809 0.119753181427672 2.17350521165939 5.74994430785806 0.150963732827131 3.0075466790157 1.0733340623941 5-hydroxy-6-methoxy duloxetine sulfate* 0.713827124987067 1.4676137748651 4.60833492626621 0.296188184705389 0.36801659689913 0.0716118317792739 1.68638454510221 0.333984535983038 1.89225782013128 1 1.65335647031796 0.125631546734897 1.73947568249136 5.1209316640566 0.0337251655919485 1.0514742374528 0.751729574362491 10-hydroxywarfarin 0.0364505874993449 1.96354941250066 1.3380139006146 0.0824362971801636 0.71080410184454 0.161063693277704 4.8078975683921 2.14244108642173 0.0388485191065293 2.49394120047293 3.19960186589578 0.654190404613666 0.037967462238148 1.28919589815546 0.626701112249099 4.28394999740999 2.51073353550537 0.0316067223866599 7-hydroxywarfarin 0.771291247891553 0.983214972941936 1.84408817496735 4.07817295852724 1 1.24701665937419 0.468104707468741 1.18655241879734 0.182320682380459 glycoursodeoxycholic acid sulfate (1) 3.24741662514733 0.146734259646517 0.985387581530555 3.96938194049757 0.270458249986051 6.03219842768057 0.275472419229879 17.1795696737198 3.47277673231906 2.23350044761873 6.30272259835144 0.98008750909187 1.47571872063505 0.0416270607620826 1 0.513516209328542 2.90655557755655 2.37508128983325 1.90082368759817 0.497887822252157 378.053317983114 3.41616691216155 0.387748677759447 0.754492852667022 0.0259144828485241 8.54103624353817 0.187957648799281 0.398776196065399 1.16962404470558 1.06411514936343 0.19251160771909 0.61608706665791 3.7466292803387 0.721461651690903 0.228454922843172 0.763332293759056 0.0610353272959195 0.339222940398891 6.01749687265511 2.45135506782606 2.60866581234354 0.918536791814658 1.29406895777013 0.187341138516128 24.8321319106439 0.173180264643094 1.44089231931977 1.00443026156379 15.1641704566786 3.06380227001636 7.15540206643717 0.395019503103203 1.07165721442377 1.26964438184007 0.131979620402655 1.73353740521275 3.60728135560486 0.486869585653284 1.75857784268137 4.31802991313396 15.3306077765083 0.220577954029139 0.197092443773073 1.07901207926187 0.184151468435618 0.416448528509709 0.273942602689985 0.319432599374186 0.127675487281967 28.0237348110069 6.33423002773348 3.16362751314618 4.44767221582547 0.787202594304414 1.001447028271 0.425907669052761 4.12293778763813 6.83421992760424 0.164013781503165 0.230458836553797 0.922892657304586 2.24634806424865 1.03411872923623 0.111023576657764 1.73200317094789 3.60247369409024 0.975202458322186 1.45837687474411 0.160284124025646 5.59886573085274 1.02075995343101 1.93559418567585 0.855018803484495 2.85117434941619 0.485160446711472 0.327419584495464 0.79405540881628 0.198052202394765 0.434412963244891 0.813601375982484 20.4661313105484 860.821220322248 1.68758772947617 0.368706449351301 0.110665391586937 1.33932344900198 0.862404215054908 0.947461591179286 1.06999882247274 0.8417753169593 1.43868359349788 0.0299491002755611 1.04612753654892 15.3572849276018 4.01482896047007 2.90633829914809 0.647879933605199 0.349736435895958 1.14416382508153 0.117563533508041 6.30819435801854 0.0844843785489021 0.126658576709496 1.82274076121472 0.421084241482758 0.894804936943169 1.53863644313849 0.950069395278165 1.57772049444321 2.6688202112947 0.213815301646518 0.418324196411547 2.51396798603916 2.92960653345335 0.0683823091063258 0.354508131096721 0.593997961251963 0.275902027761067 1.53047455334026 0.655344668141778 0.0566558127229111 0.563596079573252 2.7921950142806 1.96403516421578 2.75391059759755 0.455248790817455 7.26148741893415 14.8200501853251 2.66641687322663 30.8504195495145 0.1939416961418 271.047339552057 232.125606192512 6.46277166268328 0.149518371642384 0.279064599933881 2.5824734674532 7.06865969314329 0.416397288829701 57.7773226971582 0.715002929037477 2.29981075806643 9.98832080178275 0.21783071887793 0.141225919197981 3.69778836731165 0.0291706512908212 2.71590996991147 3.67013815498722 0.112104044141014 0.063796357745592 0.384840543593882 0.262747717986655 0.448537378114843 3.56721241852768 1.65987593099789 0.194368857704945 0.900723612673347 7.52172242184348 8.89940763973775 0.754085009585269 4.48612316146855 0.475385492371446 3.83750173057092 0.633846173553723 1.19151372361218 0.18479738401726 0.394830310438558 0.591058577300723 0.366012424637024 1.10330165834268 1.10262765947488 1.21575157032375 0.0961113517076855 0.0228553607298107 20.0887909751158 2.69792632029628 1.99988076920614 0.711390531596899 1.29648904727205 0.751434341523306 28.0640668441333 10.0210555669695 1 5.51355511246371 1.98193111514788 4.47122029761386 0.575693078258265 61.13904675473 0.586772180992345 0.90624468819423 2.51248696221123 10.0597095005757 0.51626391785491 1.26836634597525 0.126136326124797 0.0992694896774216 0.0800831856497364 0.407161829197454 0.632708554119695 0.388320900320593 2.99543966847927 7.26742235340894 0.289392844280149 0.135297389683186 0.524850013080899 0.22403564705123 1.02336135256989 0.206193399245299 0.585975009816833 2.34248799193172 7.92598920912047 32.6759228192466 0.202400184856999 1.50626823873946 3.35761700014337 0.187167219217639 0.761757658977266 0.175571285480399 590.679977651617 0.186565645666774 0.394436159053879 31.009087652863 0.965336849163685 0.0957265614183932 0.0601918433327076 3.05172892041443 4.62258231235808 1.42536127669575 1.93294154685696 0.312959648259304 2.61065874028232 6.17300683803384 0.457205752442384 0.79352675327158 0.877066646564946 539.122266252217 0.279075931786191 7.68284805907541 4.09663113884623 1.0497128360818 6.84234437302093 0.529527604638571 0.300951333635845 2.50884253997065 0.86543819533847 0.915607261648036 1.48508506525915 1.27971642778629 3.78897184133239 0.142528589524343 3.41658204729127 0.106086337875435 3.21277966888328 0.302432357463774 0.148384201032972 0.0682773663001551 0.0979673120402902 glycoursodeoxycholic acid sulfate (2) 1.00416253866987 0.300457645731179 0.333381983855422 2.70363366857435 0.104428929468614 0.159317226896889 14.1758733887677 0.995837461330133 0.0751913279082163 0.19582613548859 5.37468452568952 1.23272152382776 0.384098985519853 1.23558450975161 1.07048760083064 3.1220277693288 0.0268159731729345 2.50936921484479 1.06252740240657 0.229425937461505 0.300115666240009 1.1579818337415 0.622923125109439 2.9841914584551 0.22536913314442 0.229583922146016 1.85214451127931 0.462652628879073 9.75160859925471 2.937098775023 2.87847399482585 0.400301373444116 9.75320918325824 0.284213407912163 0.650786604418993 0.557908340053813 1.539204443162 1.16006826527769 0.491300369688046 0.548265376334539 3.38206606046706 0.496060195769427 2.20039114425726 3.50782905072298 5.68153064168868 0.235759364896159 0.259674408166184 0.434759554795956 1.848711517546 4.22151688011897 3.25564951896162 1.99598004325769 0.214423999388375 1.0729782453752 3.05962853626716 3.99188609958148 0.680704454260044 0.226883399058393 0.161057223960915 0.405164781232968 1.88226705830417 0.494082278402967 0.489857624476851 0.787324558482972 0.341227739181261 0.819323907397953 2.00457239251548 18.9058836876074 0.0909915975505393 2.00592635340599 0.944356893239321 1.77286257913519 0.229731896013831 11.6872966900712 6.85295343509003 0.664294152319367 0.545979180076798 0.901030144743105 3.09276481773319 1.88280469669056 0.277431272303978 0.795712210556949 11.4834503560005 3.3901084401828 25.8781583172412 0.137573771138684 0.833541729863839 0.328178910271113 0.230269534400225 0.444308801732281 0.524722733965182 1.26353899234729 6.82961795613561 10.8815296551962 1.87435785506946 0.596115192723632 0.155209789951095 3.4407229016689 3.05499942043569 1.45507883307808 2.25211047728971 12.8612597015367 2.30337355756307 0.394513128981422 6.13524071648947 0.775750535788713 0.428616173050506 1.24154760935885 0.59986139781048 0.0865943074453052 1.66408945513556 1.60463602127864 0.416307213479433 0.361362050128614 1.1507261817563 0.135368960508241 9.41547855981967 1.54610495786444 1.60434993846753 0.156013781299556 34.503833756292 0.461540358639331 0.219807781945708 0.120828061764292 0.642122734458428 1.39470796124071 3.88544849646219 23.8063564641151 0.386788893081482 0.671954266209921 1 0.224195207126422 0.177376275349773 2.11190523753505 0.260826138104011 1.86274190644599 1.03474426416295 0.215691642189323 0.861738150375977 0.508233512628337 0.175800353657544 1.32170012109195 1.09548507066985 1.20537539737149 3.13443179267875 9.91915940978157 7.71354232175931 0.114102649472103 0.895513185704738 1.25758304416773 1.75762373698138 0.596805737440102 9.09743832572501 0.524157967036355 1.15338477891471 7.80170021974119 0.733489199140765 0.0838691220463799 0.103349881744217 0.886928235140341 10.3351238171339 41.3305020999958 0.717902618397591 0.472857893296044 0.556919381370583 2.17136360385423 0.198373767192714 0.627167508884598 0.152499401938951 1.32578419984364 0.703105231616097 2.86306744895518 1.15980931100901 0.786865839492746 0.740162820579219 1.85236647208103 0.272215193463501 2.57963830254244 1.79829188831919 1.11140705884674 0.159624343674241 0.265585964185392 1.15816926730739 2.75713049075533 1.18647666822039 1.17467328603102 7.65788441761185 5.70689336263216 3.44955940780858 0.783928558216619 5.10671628723701 0.158152003689482 6.00652564757064 0.938050740239274 0.24160433267485 23.8013080889915 0.986768669986214 0.814564081316573 5.26157340613648 0.320373288743875 1.43984985584879 lithocholate sulfate (1) 15.5552647417172 2.14099936878881 1.00710185987112 1.94458259325044 0.372992968600913 0.463115247420108 0.992898140128885 5.4614946493842 4.99447763604069 0.310674808801726 0.305293366410757 1.27961187851387 1.63162955242723 0.346984131644232 0.750934339356752 0.140536969892694 0.301428298812442 1.48423880334102 0.152687051362976 1.95864392349133 5.97636627864304 1.18525020918045 0.145486839980623 0.0805425480381075 0.305176436347249 0.443674157250625 0.632279143566657 2.19035127662271 0.210260863850382 1.92682480295555 4.67474404172319 3.75422747778409 2.21024959746131 0.18754031254841 3.09414664144247 0.0787314045901147 1.55667134534769 0.536700731845857 0.869821568563019 1.68928613342221 2.37919285710933 0.64307234430085 0.617805589067847 1.61620294522188 1.01926083099008 1.03968116118917 8.40582096768894 0.3665557240298 2.52940574491956 1.47830609840252 0.976882308483122 3.2197049144928 1.52878891011769 0.844813940278749 1.18395666195669 0.140135102782329 0.80638240941119 0.782876966336968 0.283034226351145 0.698283283964642 4.81855574280711 0.180155194509513 2.87242785990245 0.145062270271285 0.101174051628228 0.124931110725133 6.57550780901593 4.88701407829202 0.101115841951339 7.18927251986875 2.11816376635387 7.60853241199307 1.20097266492351 0.4668735300883 6.69914704046042 11.3176267351413 0.081305774493834 2.46749318148745 4.55578975040254 0.510664106692705 0.679397060411317 0.501487632790825 0.388635968885989 0.251150345267882 2.4873257817231 0.382266703595386 0.66053149190463 0.0414002243889158 0.636686179426635 6.87263628810035 6.73998770085859 1.3174502283791 0.308721593442962 0.72551226862827 1.26864798636767 9.14211892612535 0.416933382780263 10.2615229341433 3.32184787558151 4.51630481215643 1.33855217511724 0.988449134600489 2.76409965121137 0.941543401416748 0.148697558479601 2.87243724856001 7.96472118034203 0.682249334578895 1.79112865746891 2.43258427493745 0.420347098670097 1.10636691812621 1.98159447571389 0.151857780615239 0.105560432441567 2.13774099510382 0.679588589025598 1.64687193401652 0.111259347582186 0.108831440736446 0.536993657961816 2.12735338437634 2.29922027198941 10.1407040554306 5.49509865131934 6.31202827863658 0.632943860522103 1.03557268463969 0.805614417222554 1.24875905418664 0.180342967660769 0.225108086920192 0.0588105509733691 1.48211413790999 5.58384024260291 1.23387427648658 0.457755265863311 0.70599888274975 0.989881843744572 0.552777869056393 0.38969313172756 0.416257399435742 0.810393243922018 0.474254892664172 4.30544119649052 2.15955460208522 0.779983382076114 0.131995136675383 0.323001741595978 1.14661609309793 3.55242579439779 0.109088689953667 0.414334602366881 1.80691099083198 0.126269933293588 2.16156753026669 1.11570675466968 0.837943320674293 3.93818132314351 0.59398093163649 0.261900358177286 2.39004802298343 7.76838181792576 2.89347347469522 0.259787910225656 0.394370560925346 1.75820826859072 3.15573999051746 4.18623716687869 1.01011815625543 4.74044398961615 0.165845002652296 2.31065753463241 0.684889425085554 0.256477469569014 0.380599278012233 2.52850255606202 0.508761964670482 16.187850138248 1.70884082939401 0.550697342540477 0.185658825572826 4.26559948925703 0.216814146829216 0.327951441863085 0.320286541828817 0.527603122667505 1.34563122291959 2.74569600465677 0.331594240997451 7.94402106814757 0.432668772855513 0.55652394342395 4.74023931688128 2.6647282218352 2.45940015866831 lithocholic acid sulfate (2) 1.40254812216776 0.426710307006769 9.87729555873871 4.42946176493932 0.439930911193672 1.83899435724355 0.412922781542555 1.65011886449448 0.530358634400027 4.23304999867718 0.254638360917203 57.2116619486218 0.435146095613163 0.597451877832244 0.426899280765873 5.26867911121862 1.85703001281242 0.384440656570429 0.866563958552726 1.7161355747104 0.135165178049066 6.32155440279782 0.904461952494247 1.87177086989872 0.437439057685557 0.568112380878089 4.74283318382152 0.190952585254235 1.47959488799615 0.486199409753371 0.343045100562945 0.867220510420323 0.455172458624231 0.515698740200476 4.80385350442685 1.06515464721713 0.518097429696946 1.11053473224385 0.211591715745544 2.26288076758064 2.59780672673141 6.54413848694047 4.86698649193286 90.0763030279392 0.455972021789721 0.706157286425628 1.00449185485653 0.620051484067241 27.1710870158743 6.30653171600557 0.553668239790944 5.78405294018227 3.09524552439643 7.09412093555391 1.67167206209291 0.812713704382646 1.58271903480375 0.286880663572422 0.736098651793492 0.466814878375392 1.19974127956109 1.21558303105945 9.74068801435313 2.13476864672309 0.15597332189243 0.952630757829869 0.78833677860551 0.878004862384128 1.70459716317589 0.213216844130686 1.32771038912074 10.1079020242599 1.02460444375106 0.375430659022063 1.48620591026691 5.75383205273217 0.479282863346204 1.99284293459183 35.142211734727 0.393112055852412 0.402121767619642 0.276440838826267 4.07003003237256 33.6968095479543 0.799413653678641 0.427057737561267 0.220256900295123 4.30443205013196 4.73572812252168 0.751608877101291 2.26343331123159 0.248046595681059 2.25710831155661 0.553291210005591 0.73014418139033 2.27365211851736 0.362286620643031 1.61460405372024 0.323277038886072 7.90723117126253 2.84444921148771 0.681500838566247 0.719327326858822 1.10952715264506 7.93681500838566 0.884277857950778 1.04646567078799 0.295955380475057 0.768614220523421 10.0660582185993 0.838254222083545 0.197349090578156 1.16613362455634 1.08419465137746 0.704636166257134 0.291717045646606 22.37902544301 0.662272319513242 0.19648452227726 19.4499720477918 0.925432609176125 0.285067020294603 4.98420375209642 8.95945629704747 2.91744347803477 0.544027978210279 0.518636972320813 20.1483157169416 0.788076758063887 1.27459469298075 2.25182989456167 0.995508145143466 65.5803073442802 0.292120077486121 3-(methylthio)acetaminophen sulfate* 0.0478004895821496 18.7467816925677 0.11995519390913 4.00628464449099 2.36493327878763 12.4581407656925 6.35099688156398 0.0795900991515388 0.141205251732887 0.983126254643914 0.0177943851043108 0.942218949070415 0.188328504213419 10.2064517691306 8.18059370899901 0.857257804331777 3.09437514842528 0.144488654074171 1.01687374535609 9.11107695241462 1.2895898616053 2.70071680401468 5.1091490771131 5.34294511675003 0.489423039656207 0.015560002766328 0.735339070283485 0.152387296974457 12.3463454497491 0.201053218188988 0.609122380803882 1.4438350517545 0.115796591205024 0.0109262924646472 0.0836274714228188 1.77913268788637 3.14452913567179 12.6791064055069 1.81063261230751 2.55762557886721 0.0472890578708197 0.234602238496132 0.198084710648305 0.825513277407912 0.24699348724079 5.9795194498019 1.29966823001832 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0.122898707912432 1.19047315490775 18.8672887529752 0.295773218924042 0.568848936817807 0.481436622525654 0.231602499239077 0.731218670849423 0.826135166850875 0.63636143256427 1.68232836137151 0.174111740300365 6.36834416881626 0.313333255520171 14.4415759320296 0.852362991221778 0.844815712991536 11.9724738929357 0.17861712242734 248.559766345029 447.41836396628 1.40977698448256 0.0720448131990278 1.00120939611898 3.29924697808093 0.337948551732435 45.4245644782313 1.01734904321234 8.53481884646775 29.7802723879693 0.12642364418794 0.117840253766681 6.68256269870414 9.35170262682274 4.66639970766193 2.24930619090502 0.503128538067247 0.525948145906863 2.08116331875534 0.936241390796558 0.290109617796708 0.894211508746349 4.84416567380064 6.0113774815291 0.204200294672462 2.08584467834283 0.24733452507185 1.47125237592018 0.317881734168089 1.13977728077114 0.0699259009193027 0.377004773837539 0.881715313361089 0.455083099968665 0.757322592722614 1.48942653793975 0.101844261743129 0.15597169635987 5.25330069968998 2.95000354648454 0.998790603881021 0.947471625879102 1.11514402767515 1.29286151022779 12.9152946859296 12.2266463993306 0.590014715666214 7.75815489428334 6.12660141733683 20.0307080668607 0.384805244128324 30.7532266275446 1.31431100783908 0.770341333424315 16.0395931329285 29.4931400214944 0.161610157849986 3.16634628593285 0.120285981330228 0.670610596895794 0.348625714796203 1.00559446712499 2.24097419685593 47.072097786006 0.546666798350481 0.16873185793591 0.135684009125688 0.641267253198345 0.790460225951468 0.182840581479809 0.601478390237202 32.5903379395733 21.4574148013206 0.860585448280135 0.636797784838824 1.42533841991993 0.422810988535428 1.74942425741552 0.122575484005355 225.732517851387 159.88848595637 6.71656585372861 0.225743168079125 0.410488974922314 3.09108898623515 2.05987004603247 3.4998163908639 0.201522923308843 0.313058515199155 5.19805095984033 1.89257833017143 231.289832183943 0.0819534216393019 4.8314450173688 16.7215363191441 4.44399472426756 7.24788669924644 0.579172349272163 3.24472090064546 2.99031315907375 0.835201597444376 1.23082406832953 0.276250494936608 1.46152333631717 0.167033136735385 2.35178792202044 4.33310198881466 0.164167218092638 3-ethylcatechol sulfate (1) 0.971930433059162 0.790332969973244 7.12320384501041 0.446090575760579 1 0.202692993756813 0.956334852839164 2.08351501337826 6.26747844614013 5.20997671192151 1.3528887127143 0.266029134872659 4.33796204538698 0.479164061974053 0.370997989978746 0.36384269900653 1.75978803412228 0.61428750036065 0.378961136383308 0.217063060810356 1.1579838236567 1.43749218592216 0.374546783485127 1.14643341443945 0.251848931034151 0.614816453322306 2.0210523278739 2.98494888390925 0.27722905586705 2.87459967878129 0.395406764827513 5.89393050519817 8.37371969339963 0.58148279941142 2.2966079689168 1.25740774579482 5.27305513613326 4.39821502418758 1.6026216832245 3.1928081631868 0.958299271968378 0.722992142644188 0.951788341876725 0.262206791756028 2.15934948403043 0.507073543696323 0.25639792650439 3.89107415920522 1.08234355013993 0.794275767222228 0.399936525644601 1.29671375950913 1.04170072803162 0.937881687648467 0.318872079939219 0.270593100529915 0.259090777945547 0.660469902576482 1.54030140701488 1.90663499360448 2.465728656748 9.88213004548995 0.273218630685042 0.849661950970869 12.2430106079112 0.293318843227959 0.330922590138393 2.89030477307918 1.50479423729792 0.648871406726358 1.06621529347272 0.599505669414016 1.1403552640437 3.55062079843045 1.24379922869041 0.546995066311467 12.3918483539946 0.831273622558401 2.48274170746016 2.46708469979515 0.628905836755499 1.74491964723646 4.95878013829716 3.63729214552939 0.862260648784851 3.73525423402803 0.47912559266775 0.321276411583108 0.772030890852961 0.430471537522 1.40277363698439 1.39771492320565 0.578462958866694 0.365035247501899 1.60173688917955 0.571230729281874 2.07714057646256 3-ethylcatechol sulfate (2) 0.297234957428026 1.01640231227041 0.328416436483754 0.33418287439132 1 1.166372412222 1.57719907736994 1.04433750035595 1.17330637582937 0.878733946521628 0.376527038186633 4-acetylcatechol sulfate (1) 0.501187689943061 1.27114262758934 2.28667866000629 0.728857372410661 2.2457644880707 0.466692283508576 2.10381552801247 0.730482766507984 0.521665165615931 1.43580506354448 0.505739732098183 0.71188403310889 0.336406913410816 0.446641220282769 6.32648568283513 0.568955411645295 0.927906677531415 0.880244742748495 0.928978856628211 0.468041915054824 0.653414533030264 0.333090306071393 3.69211305056397 51.1951365956169 1.82899458192163 0.504381638575574 3.12900458892653 2.11429429171849 1.23224828808738 28.7837200325943 159.986104558906 0.454318022615831 0.909593858558134 3.0131091764235 398.013209246473 3.93092307472374 0.850924218381439 0.601535360466612 0.355749024317022 0.333604952037855 5.46572600820574 2.74520735943732 0.635116009778273 6.11327929550686 0.470529370559392 168.742619833884 1.02234421237724 0.540664179211162 2.41845005789767 0.775771611556661 0.245929293362497 2.54864119169133 0.405069262769653 63.5353747623336 0.917527983874426 304.465797486812 7.61854726880245 10.7959285785764 44.5642950065046 0.986504839101657 3.54022101185115 379.862889737102 1.71502909179283 0.410230018155566 0.372660862603823 0.740589841460451 30.2144358193593 0.68039055910566 1.27436348300954 1.75811639576275 0.62485168189161 9.20943231690755 271.605681119641 30.9565124158339 33.1610270046175 0.628382725050392 0.326156881245443 5.66710983402668 0.751711912624552 2.96314563051279 48.9991422567226 0.775099712656002 2.74316307129276 2.25120441451873 1.28205458106389 0.68479364126317 5.76905262255007 0.799731240439736 0.454861260024875 0.533001672599391 0.840331088905091 1.61563094165916 0.345198782004546 0.74380637875084 0.768423610813284 0.83429829452045 5.23865277122557 0.900630441308916 1.17988306099984 1.9602293033695 1 2.12074166202056 0.846492544781347 0.436748581149662 0.971751654729739 1.0627725121871 282.887649926377 0.82803676859516 2.24164057697531 0.375305571042587 2.41374676559306 0.287129562122057 15.6440508355849 4-acetylcatechol sulfate (2) 4.79029867505053 0.802275619432592 1.22917883075081 0.751029268657834 5.51035257130025 0.969099483494274 1.07678718466951 0.51515832023355 2.28205704019762 2.56350026199566 3.18353170147466 0.380282955311026 0.460663223295157 1 0.586795418818774 0.524141028520099 2.19908675799087 4.5601471426351 0.874307030723797 0.515828195430289 0.548717683021605 3.10488575721465 0.399129578778302 2.44020517071654 2.47289777731724 1.00453862494171 0.372405574840682 0.280938811460546 0.671799388632713 1.58425988290762 3.39701569866846 1.29324905445314 0.404289933164085 0.643334542251697 1.6521941868297 0.430164240194809 0.575172270866795 0.260483912750635 0.750562147039013 1.00832081239314 2.75613698772084 2.40843479612455 0.728470027459717 0.833345422516968 9.30074089425418 1.72061551214963 2.00690119682918 1.91194238640485 0.248266929174654 0.735878970001554 0.46663903424693 1.35104916843687 2.07444173877001 1.93751619087094 1.36759753380654 0.590073053209678 0.719983420548158 1.24561421687995 0.63637117247811 0.77442619553391 1.02622662038236 0.689104191492669 0.372509196414693 6.29562198849801 0.228868970519662 0.60017615667582 0.45026682555308 1.50331070928967 0.381534635511113 0.414196155639604 3.30990104139682 0.448660691155899 0.99743018496451 0.855862390549713 8.45791409771515 1.09226464950003 0.711900937775245 0.76310035749443 0.971659499507797 1.00256981503549 3.61722190560075 2.06153049064815 0.503725195585721 1.12104036060308 0.423553183772862 1.20421739806228 1.54949484482669 1.38344127247293 3.36571162115953 0.511672970312419 0.356820890109321 5.12374488368478 3.72490544531371 2.66223511735143 2.22064141754313 3.10755919382415 1.10576654059375 0.556665457748303 0.634713227293923 0.520750220195845 3.45884669188125 12-ketolithocholate 1.75281499410139 5.25615200137357 1.68016793039086 0.743294138498264 1 0.920845079783551 1.12361327270411 4.55074743424296 0.198489623430499 0.675839513489263 0.745714507258337 1.84111335692772 0.597622452485001 0.365068586174114 1.33789376133449 1.72214011232634 0.270070543496497 0.425142405189701 9.4372418531449 0.532615382157209 0.295148237211495 0.855309936007542 0.674756932516318 0.178531768540636 2.10498438136629 0.614551293830041 0.85508224748544 0.637416014891628 0.822091378993537 1.35477466825383 0.747808997291705 0.873864553291098 2.982332169592 2.35468678847337 0.974654672408146 1.59180640883272 9.82342155930687 0.200593587971655 0.518195109090764 1.34098553179251 1.7137435987569 0.554117966621662 1.23634068594163 0.449988415847121 1.04687986834011 1.15096148468895 1.33592046080961 0.0563948518426792 0.890050411037701 1.29034680556998 1.54797437106039 4.44001406076487 1.8273082423245 0.507242092817026 3.80536625895775 0.58638981872798 0.812073084021059 10.2895518930104 0.496265109330436 1.79492054868939 0.299949668853009 1.57927555104617 0.875058919398263 0.574186512850421 0.887773525816683 5.86766902876865 1.75781930319323 1 8.26499348890718 0.419665897052832 0.151305014739836 2.09922825574614 0.27129287135199 6.0437880978821 3.90475030158743 1.05791277532336 1.58610221217375 6.76536098617092 trimethoprim 8.41244783234761 1 0.589728362118759 0.507281099242603 0.48069898552729 24.6446945599206 1.54600922543748 0.320879793683397 16.3471558733835 3.53720351524391 6.63488904793215 20.367031431732 0.109478978166464 2.25608162668927 0.189113101091386 8.85152018847273 0.151318992286402 0.0273887359875455 0.367374409163995 3.90899654695106 0.0604707033914358 4.32335466193933 0.0309756140136506 0.06774208355719 8.94194371549618 0.161331605839086 0.117884996208176 3.76271295471987 0.464838832932816 5.20425453645032 6.46836429181464 0.409766549065168 1.48829674368627 7.21403149444415 1.06943240305958 1 0.129481253907389 0.934415344700401 0.0625906336451486 3.71397686373161 glipizide 1 1 0.367043841193274 1.28780297976429 4.16717555293273 0.195737329159611 2,3-dihydroxy-5-methylthio-4-pentenoate (DMTPA)* 1.12718172184531 0.394385027410193 2.40833135346389 0.375547858158382 0.714443807534063 1.65143405400581 0.956041744447252 1.04395825555275 0.318283937162087 0.675178345382253 1.17860722784338 0.790679340345214 0.506726527862106 0.228651979178059 2.70900300060213 0.418657975354082 1.07115996465147 2.2806015534747 2.13786006911316 0.618819570412328 2.6166111674693 1.13103693619289 0.341730619592285 0.471903264207606 3.47218289719638 1.21160014933872 1.39917788278419 0.51636742354247 1.46180963838156 3.18443319794798 1.79980993253359 0.229565673212178 0.517378225458733 0.469178398178772 5.15510158930091 0.464524636489685 3.32091686233217 0.931234710962146 0.814276354135954 11.1692329026082 3.10418067768379 0.440917903888993 0.71426393037733 0.635101926714318 0.710424786301219 0.542491557463384 0.265259590536744 1.54086406350745 1.33832474059186 3.87820184302744 0.324311072492171 1.02958936437828 1.03527948267543 0.240498910633503 0.383788389061025 4.85383168552206 0.349166941846063 0.51027183220716 0.467107285327676 3.5522473707292 2.14689685154444 1.9736105364773 0.310429379959869 0.568370314230203 1.27812079074552 0.473023893104826 4.53857957810439 0.507805504247077 2.13795874636599 0.447109025759309 6.10987159434408 0.774668330782973 0.404118030742753 0.488986856916192 1.21691999240695 5.37209427292977 4.65204577175523 1.53164923338408 1.36861132163674 1.28707953054037 0.450266613368763 0.454461704577759 0.403491991220216 1.20750950190308 0.650094080954145 0.312690835657133 0.945500846049979 0.939454903445041 0.327421372439043 0.431841497650632 0.357431965489587 5.19053716143953 1.25354164633655 0.512987126640107 0.772665176265991 0.528780223341473 1.3228864855975 0.31514979411136 0.51730639402279 0.616984856341002 3.2417677553044 1.39062673778322 8.92428023111016 2.79864636916422 1.83358046766516 1.11304975515738 1.32842859965202 0.609080692834267 1.00045451427372 1.85066494744283 1.43046346146796 1.08344141430152 1.97527592197585 0.592283623785006 0.535423341571008 2.61486391255541 0.70054227894722 0.626714814923765 0.396947010243675 0.462871416186272 0.307583153972867 0.398971781977837 11.572335538269 0.3613997074429 0.627091273847951 0.5458621237921 0.400097105522173 0.601964820804017 0.392791223065915 0.733995905134071 0.720429873102636 0.387679979453818 0.483989472169583 0.765653705568712 0.431848375856099 0.279521058270867 2.50818810442614 3.85908411658386 0.926655914148205 1.41625370309993 1.66372613147555 0.564126584282551 0.438262793753877 1.21700081132118 1.54370034066155 0.475657263197664 1.28020476417673 0.779810649144766 3.01243659384633 1.38977531420656 1.22116974078439 0.356640234910369 1.17066283239465 0.543071783224511 0.4333975688123 1.8870621999191 3.74967446743191 0.561508935802208 0.37864459679806 0.524621119886077 0.474182870725909 4.24886244000531 0.666295079804686 1.26875857050501 0.948356775219693 5.98060923336443 2.78844377960584 0.563995161428105 4.06407613387371 0.675905406742373 0.414287457524778 0.646619850243043 0.98337789530229 0.413818142826796 1.11501348281803 1.82166066041704 2.40665031578026 2.07250414642176 1.07575231754071 3.89385590171831 0.524141856355189 4.57157162757441 0.465155103226204 3.49600637265736 0.852892564825705 0.414224939550093 0.99954548572628 1.53105426861124 0.606414405615269 0.30472734762825 0.470140205463052 1.36374511409438 0.441991518067234 0.372503464742472 1.93520484800486 0.381538233272742 1.05386500797104 0.721688584702982 3.9754944278245 3.58975275123613 3.0673575905941 0.779836933715655 2.23023331180005 1.45421894077233 2.47240657416422 2.48503766155262 1.43408422252051 6.60815053837004 2.44091692128821 0.46137270434519 0.602808137924233 2.60432994088367 1.95324994287098 0.260469043254516 0.484209083444117 0.759885347684382 0.883985246986225 4.42724489119754 2.4164843072207 0.814028615914067 1.03933492174844 1.14290042993083 1.14941224813102 1.38936237622838 0.369730196863452 1.00656248355295 0.446603354832434 0.468337992805766 6.9511463788367 4.12415185431813 0.813016782759925 2.39606217824047 0.367088843139269 1.59475160988391 1.39347824524942 0.261266915088615 0.406841800107435 0.218239195367873 9.52304337009468 0.80852519176529 2.98220552974557 0.472834742454501 0.7503107628501 1.83693064502767 1.34169297324372 2.36829338887157 1.04792715145201 0.25152983265019 2.52373530528209 5.11808877761208 1.63106116524047 1.38529956764952 1.25957014777763 4.43113058598564 1.00314094480873 2.77760299084026 0.934081059774246 1.44795252711717 0.711050948648853 0.364284623335651 0.648479913521305 3.28509934431664 0.276319622101566 0.914475840518243 0.669715021822642 1.73118216638539 2.30097283004439 0.300820895398646 5.2825740603097 1.45727630310213 2.974972236922 0.750792482882941 0.822061622948199 4.42920874168328 4.07276895733222 1.32576833086281 3.37003203954084 1.55345449578854 2.20831591008147 0.580195300502963 1.04790123535641 4.28584212909446 1.23470359264025 3.63134513686616 2.31838955171112 0.617709033116533 0.889458087685697 0.552205794433653 0.372126514517896 2.70942781498389 fibrinopeptide A (3-16)** 1 1.07307929816293 1.12003281814948 0.926920701837074 1.62616549162854 0.199025492981411 0.270758461474678 meloxicam 0.262743558995603 1.7372564410044 0.586264752426166 0.543222940380179 0.774209231825202 0.800320311159412 0.925470457015386 1.28720280653587 64.8565654254609 0.744141928349444 1.31878586817671 33.7955537760491 13.2743617609487 1.07452954298461 0.46284009228012 0.598953268889779 1.30806116417854 0.55476748841732 3.87986424908006 1.31858567370207 28.9584739461191 0.56229861389159 0.81117847814067 38.8218173845069 fibrinopeptide B (1-13)** 0.513718074780022 1.26367647429594 1.03348712906235 0.659516425888107 0.606197211506946 1.21007488087134 0.33284421249023 0.782321054887427 1.17417240249099 0.433885485212919 0.493669162695711 0.234515795577742 0.605914832463505 0.907546075687669 1.26700451302221 0.96651287093765 1.1882005899705 1.09229256485894 0.496301338779215 1.24775231323904 1.66678264377379 0.619559791241207 1.0813503769256 1.32464009278169 1.37457075864156 151.336268058392 10.1477907123509 0.709612901346641 0.87548181014981 1.0602833092226 0.778702292299776 1.07146810101265 1.46245036263192 1.07137101080614 0.673106983698554 1.34194199831063 1.30706719613193 0.84707321572473 0.611318776275037 1.03336990397779 0.581162558132761 1.58853170480694 1.30704777809062 0.852918046156684 0.809479887763721 0.976300280590697 6.08852685029661 1.16634465081507 0.805673951668495 0.529996019301533 0.575162383370389 1.52635513655738 0.521723933706807 1.10667300989349 1.13271260327971 0.672019573385633 5.73742924551201 0.956377370214666 0.598269852519976 2.24965775702205 1.80422730759148 3.9124246337272 0.81608202180646 0.985640358457042 0.399875724535666 1.06360379428527 0.738856471547715 0.751750050972358 0.514325659970679 0.956532714545084 3.95339670087478 0.478266357272542 3.24801693253202 1.55352097633912 0.852995718321893 0.621804518578211 0.532520364670816 0.681048962591143 1.18387914211094 1.01859277454683 1.42932318417041 0.613707195355205 0.583104362262979 1.49734458285193 1.81195568802975 0.686486014155752 0.796411545967358 1.81071293338641 1.32605804052545 20.6759031816461 0.732448517917998 0.558521121974427 1.36541841024496 0.772799207743915 0.679456683204365 1.02323368641805 1.39901162169772 0.851578201306834 0.400302921444314 0.667456333679622 0.734273813800402 0.946959620183112 0.555375399283474 6.86309309979902 1.5488994825092 1.15471324407507 0.949328621221977 1.39578822684156 1.26256104546734 0.692699787372448 2.53807392448324 1.62167830130975 0.914181966465043 1.98730060098838 3.13156693884288 0.791459945435304 0.505975902210744 0.699962134819461 1.26079400370885 0.332262104721497 0.993601755390934 0.87592842509976 1.96504752565609 1.04255463751371 5.77785760750313 0.438964241676942 1.11236249599503 1.87527792071614 0.467547598473742 1.80220783129606 2.22051127702749 2.15798518403449 1.50225734730138 3.88162762022195 0.687107391477422 0.973834189345321 0.962804741885686 0.706059399788343 1.50948085866579 1.44518772391429 1.22032680563512 0.743594473625445 1.00700020388943 0.927871685583075 1.07772071031195 1.00639824460907 tenofovir 0.885587245895368 2.56568578507076 0.772011514899851 1.11441275410463 efavirenz 1 etravirine 1 elvitegravir 23.154143697193 0.0899939631378765 1 5-hydroxy-2-methylpyridine sulfate 0.987268491280917 0.980796837126115 0.770385710587626 18.7053632362977 2.07340032475937 1.01273150871908 1.42484845636953 0.384502607960152 0.443766740284761 0.705004464075936 0.599642873925098 1.07927259057375 0.575414689159344 4.93340538508529 0.720577040552606 1.90781448240214 1.01201071378225 1.42548752408252 10.5406888774024 2.51410178093135 0.531647948874583 0.751863164324985 1.14108359569569 1.01233964569334 0.473539777266106 0.5261312908228 0.585855927822941 0.541920022555331 1.04595648700719 5.60469902730135 4.27079554532212 34.2087401907805 0.222846670739157 2.8309947840797 1.90794605516658 0.245223438748179 8.66593675109252 0.900653164794887 0.365217799915417 2.34020017856304 10.653625299563 2.21632442084489 3.99520699215263 8.93408204501668 0.342286546684836 0.656275550960951 1.23680278182416 3.93320802593863 22.690691226916 1.00936046238429 5.39346835205113 0.763479159813919 23.1661106151027 0.440937925849349 0.635477656125182 0.722982942530896 0.284826840843945 0.32529486396316 0.974766223391758 0.990639537615714 12.1163009257084 4.76692824585311 0.372632864996946 0.944307128424416 0.238766975236126 0.307635919364691 0.306733706122833 0.516329119872187 1.42679385367229 0.602763028053193 0.612724965932052 1.68251491941168 1.11662985761947 1.26539166392557 3-hydroxy-2-methylpyridine sulfate 2.57184160169796 0.397015199752659 0.942184118389277 3.99110910564622 0.661084789384406 2.33324141619246 0.616496619956047 1.05781588161072 0.353532367720958 0.239915061501988 2.43407915930191 1.01472548818522 0.265843020625336 1.36958501993762 1.74522070134587 0.372040273395791 1.57884259231331 0.537935777326006 0.301929817152992 1.9443315014448 0.649948421579687 0.5998660770841 0.359034065887662 0.213311455235361 0.229937201011058 0.742789578142815 1.84730374561885 0.634118974222855 3.32805685088106 1.07986511187389 0.635615050040117 0.884687543359052 0.316383839968148 2.39802855815693 0.326952891709448 4.12881936694276 0.851351595914748 0.985274511814776 1.22420023285696 0.234606405376221 0.874094361362636 0.790277920213311 4.49053189114842 0.930619483974494 12.3554748532579 0.693793095127498 3.12205686294618 0.689389323568624 0.63173007896626 1.84984948753371 1.47340544257904 0.530008988520031 1.30952481495111 25.7729101690928 6.85398179372251 0.53966109056688 2.04832083587204 0.928013416421845 8.69860708102337 2.9436618868653 0.768162541398469 1.06777585406022 1.41032895570288 1.31271000862657 0.533085596047464 0.360904160659239 11.1536795622772 21.2179263665265 0.62561305929407 2.39271990203116 1.93255593694764 0.937568997448226 54.3666592265047 0.817907062322416 1.35743543648615 0.328014622934601 1.26937207043622 1.5225346419975 1.08528235414769 0.674718128457413 2.69475830533218 1.96460091574318 2.465207188403 0.692634842881876 0.344278414883541 0.745202603654527 0.76815047627091 0.507833284067396 4.71092557626066 1.30147737486955 1.08896221805305 3.94796310483993 1.39446331296338 2.32458812670797 1.49781319563001 4.08158439255099 0.709393305060718 1.23530015021084 0.435454583843588 0.489277117882329 0.942769067425965 0.740243836227959 0.804273468181242 1.63788932658491 cortisol 21-sulfate 1.55319761646324 0.146476751655849 42.0685909221806 0.135425942744907 0.726569641657252 2.58920615230121 12.1804650407225 0.076140265378907 0.483057543066847 2.74103921612062 0.235683642351343 0.225608990688848 59.9473967909384 0.0656447289723767 0.606571709161258 4.2478819159855 2.32836689335371 0.238384688656049 32.0370083217036 8.68576301973728 0.0632124581884235 0.141154405629518 1 1.44448087189598 116.86072259265 0.806226140634576 1.2802501679847 5.83294124596652 0.129856973026457 0.412012198273634 2.94749278219584 1.49335128243533 0.665207845486726 6.56118098759028 0.298716468727282 0.0329833014901164 0.0846560749916891 0.315701750220102 0.492501013746772 5.33961704117456 2.79046402203575 0.158920788932442 7.2974835334646 0.0260925632998097 7.86474152197182 1.96549699163796 1.30500991827922 21.1178539985461 1.5385031983254 9.78593412655213 0.080018411833256 2.96141460599042 0.199875245217125 8.35849921640114 0.0826486737269715 0.232926129825343 5.22871405765388 6.43086247018123 3.56607802379656 3.83696851357325 17.2044590245382 0.635733386425657 0.128167730339706 6.69210409992073 0.422060225691083 0.0925788256611273 1.68284886588222 1.10736308938872 9.42612251906027 2.18701527378469 0.641321779664422 1.04457928595696 2.12841431739224 0.246897569564947 0.292964597405539 3.361204367696 2.00047582168286 0.0340390593891217 0.175502398287407 4.28189923174434 0.0670780712874036 0.730611864673026 1.48999404537932 0.219558371721762 0.142150129503867 0.139532653605468 0.0899156854937403 0.027190332326284 0.262931207692055 1.82881013527583 3.2700009498168 1.08345784457344 1.00542674172655 0.134389943632026 4.81167872812225 4.80578164442512 0.334013122084336 0.139231269430147 2.29365321458188 0.567641568366717 0.180067911900839 1.23303481078554 0.060697859624384 0.134676715241272 1.6869833087964 4.3192261185006 1 0.135747998991733 12.3364799058951 0.675142563847781 0.352318100950913 10.068216938156 0.100067765775178 4.76178594782583 0.132216324428192 4.78947858711099 0.71933735665986 0.0791343515856461 1.74338050756748 0.416185974128452 3.88906413820565 10.8909948234985 1.93631569718379 0.0791480508663425 0.795616778148369 0.107355783105682 0.228576151561535 0.582185638039432 0.215822121233154 1.43254291528 0.196728977083843 0.0620833135454834 0.0664880889320771 5.78010005954621 2.55526929132708 2.20337769464851 0.0601170101228552 1.11487851477878 2.80795983005586 2.54891465165469 0.935470908207513 6.47016205335779 0.333074264713941 0.11954448978399 0.979588985047692 11.2226069183194 0.0344993552205219 0.166490098159913 0.277657021155343 8.53417605219609 2.4148571439009 0.393912770286808 0.245510289073088 0.211407299707383 0.0813499819169495 5.60061117057614 16.3033687444518 11.660781151251 1.4522954514735 0.153055670223609 0.101162794945513 7.50177177363674 1.68333656027501 0.924079499665737 3.98585503603824 0.289590007927317 2.07200250605508 0.199594866605537 0.0311960020019216 2.89212821065475 27.6589500140646 0.805777077998225 0.0590703850776475 1.33804710360675 0.31835849738983 33.4202984981935 6.18208809916087 6.42515443655772 0.169579742599649 0.279578573594362 3.79789633845626 0.0742217895279045 19.7714649462806 23.0755862378853 13.6214085052441 0.0491037017283013 0.067960304964254 14.3379859134863 4.43199585733752 0.48132696712538 6.77499753412948 8.75674004610265 0.193326075758849 0.110133997230919 2.0482643924643 0.169752353536424 9.46764686542192 12.3262319306488 1.26326181699953 0.621017619101546 taurochenodeoxycholic acid 3-sulfate 2.2807005862725 0.220223245465283 0.460890776316894 0.284670565902425 2.03631276004442 0.810281928200519 1.306690636355 3.30592805903091 0.128781936176543 2.01054187725106 7.53712908883974 0.0997114066170489 0.716711020300023 0.0584503901663244 137.607748812093 0.165072502065097 9.97844912787371 6.80014856213081 1.27925761935774 1.46603288480332 25.0421102896962 6.06838296848222 0.135804999372322 1.06810068656234 0.242938963990676 0.201975487941985 16.1553535424994 0.141617093938845 0.759411189044965 8.78168198410205 10.3362577601519 0.173900227559454 0.471990281734002 10.5266444308968 0.93189931343766 0.704228541545726 17.3734777566111 0.0801856336341678 0.239760152566708 272.990070155 11.2646623825685 2.49709947446613 0.520407584362536 3.32672521263767 0.297226613389404 1.74412159119412 0.293130653634962 6.1776237573147 6.43197932527427 41.2071705687732 0.225662652930897 3.98625952009317 0.806226191324753 0.645996651329504 0.128546636689201 5.55088455897985 0.476635053726482 2.50998668137693 0.312448371892365 1.08889936719396 2.23087248098995 44.6688567201691 0.0626135298839852 0.667322657515213 1.06916561081234 0.166466786878548 2.8495124436338 1.49970397287315 0.516034820021949 0.301194145790814 2.19876896771216 5.82407156686982 2.53918998083773 2.71330879359542 1.20649393534036 334.49322587275 0.0789300380564744 0.108249296195246 55.530728945759 3.61256584759248 0.131922738270665 0.144423416254871 1.59503863107248 1.54222838913654 11.7338519747992 0.904491819406204 2.50089493915183 2.09094069711115 0.0881190359469824 0.22205130901346 0.0711512473142994 349.136269110582 23.2023909100034 0.513646237504569 6.92644957179453 3.05056982884042 0.278561006837198 0.113210997620769 0.175607988181359 0.220423731296728 5.33309919932403 13.183079841706 20.5469883058375 27.3563528626727 26.8796242938834 0.539857886197987 0.615507831470894 0.441557345826392 0.612704457696799 3.447082423553 0.390262879154225 0.12459115734034 0.817553982609108 0.757895528712345 31.4679753510919 1.48210485366036 5.1091692766028 0.275141680515555 0.574437262718516 0.116670639325079 123.453710355588 0.0279248446455041 0.267013351249434 0.0464366708720737 0.191567061002369 0.429414934438667 0.301716167652974 0.268048251278715 0.341318342106778 0.584168647973768 0.541469254637152 0.0487595850341818 1.50432112324475 9.91320846232351 2.64397547910364 0.622671500910525 1.09822926111255 0.0479811240884619 0.254676012908404 2.58425634432163 0.0603741558447226 1.74265402814055 0.463050847880294 0.103485846703043 8.87852829734631 1.72555365592982 5.14853163687311 0.0956659093331981 0.375071045471388 1.47517310157669 0.445417231999857 9.05612919542341 31.3665609669374 0.417127886420345 0.201289302562583 0.17258142512384 0.279267980712622 1.34313024840302 0.626928306573132 7.47492746867817 6.71165586290609 332.958118343936 57.335626599757 0.764738337580649 0.65857006325151 2.91975264642433 0.0196739067413762 6.27344885006605 1.41948010196883 0.0234236529518861 0.0671300996101669 5.63409634004903 7.20576908969736 0.0339713208005139 1.27901341193032 3.24094904073288 0.186020163094426 3.21098016462392 6.08944279361496 19.9451532078056 0.52093791867473 1.1814817731869 0.135802574324213 0.331447307690949 0.723424629664765 0.260971862564445 0.177531904741816 1.06448570144298 0.120253305289898 0.14006395183434 0.711921030062183 3.40653429228528 3.59348337167105 0.436084844346256 4.77041200035162 0.0995037675140725 1.73273187215701 1.14021419936871 1.93000376761798 0.884141694854531 2.6249869338676 3.11529430541064 25.7950881317124 1.85506952429303 2.23677016428934 0.518229306831026 2.82931817752027 24.2055269895901 238.425135269539 0.268666697561273 7.91186891100047 1.09892501318043 5.95074540856627 221.611689715359 20.6742016255412 0.0439437671067624 0.315020659555504 0.560597033411269 0.121284464716663 0.180651982862222 0.457045933975456 0.48293256587253 3.62210147464942 1.55014017907927 2.8360234153405 374.703867097224 0.562658521019796 0.51305896290964 0.039403091275481 0.542492517236385 0.935514298557021 0.334818837424894 0.0932449082606843 0.436432720380195 315.203945753782 2.04191802303338 3.84463241202986 0.0801598650390612 1.45647590771435 0.187054647501205 10.6832023464384 0.19428938838863 19.8962435830483 0.126432780645458 0.0172184090012196 62.3740565109447 15.5182103960072 0.0220633205037594 1.18075983690142 0.129763994996736 0.321170625713442 3.03585014231954 3.56436028735309 12.8903818510953 0.0666554587132036 0.31494460063769 1.13206051712999 39.4127615642285 0.0703549146010055 0.8197763161258 0.033330430902863 15.7488368284761 22.6512609259363 0.281433373946579 13.4080288708015 185.410029677525 8.11953594085193 4.3140776120991 0.355382591942451 7.99755406157738 4.33089868598868 1.66992092158471 4.50179891809307 0.0590520606667541 3.26695994375796 0.245817019284261 2.50601873335302 0.658731740404679 1.99067301543892 0.809554911941022 10.2139059392248 0.403521236959065 0.143642877196643 0.283064276643325 0.0627631539846041 0.0188630272405222 tetradecadienedioate (C14:2-DC)* 5.58989189273839 5.6384905699774 1.07548089722241 1.29212137663192 3.53648868031884 0.982687177988088 0.166229400372712 0.780289086438829 0.981647343776916 19.8962525251998 0.75605969650622 0.469854725973409 32.6279575505431 0.684309047914851 34.2437304574331 1.63753008054539 0.425739028757262 1.2913446330043 1.91857346439142 0.806537592199156 0.36506532894153 1.45081719902489 4.20910272538876 0.589126633223538 1.13529015654934 0.929208796830385 1.01731282201191 0.264568902066618 0.242114329562716 0.290934336975189 3.35377018202319 0.613303822643538 1.93680976947309 0.888380299760749 3.28601662296276 5.22448819994477 0.7674031569455 0.58481938840596 0.423946646203625 0.590682147544069 23.9436573939437 1.44114391008644 3.83120678994998 1.44642014892728 7.60736620616677 0.483075223671959 0.96874579965933 0.426260957543262 0.497630702382494 0.294851084940358 2.59769350893099 2.03027666651189 2.06955397575227 0.243317945321645 0.883974066027523 0.34086848993018 0.205536262839296 0.437209336425599 1.17424296114547 0.875149379388211 3.00240228938423 1.01133939241385 0.556759279850828 1.26853098660046 7.75431886664728 0.445044270063271 0.355529053527309 0.985410307605458 0.32534280889458 0.550432192144049 0.476405999125107 1.70280527770514 0.205318761562392 1.83327671783242 0.372132465609138 0.26242140017058 0.675954867263125 9.44881021913865 0.648092709308322 0.396776093432683 9.03504214392719 0.302458741962839 1.80559051596679 0.385258301095082 2.28431571410068 1.00777628160795 5.92959801365126 8.80945666225962 2.96312253630927 1.94846930421586 0.351978161894265 1.05500338471088 2.48610802237575 1.53826189597574 1.07689525480641 1.17279376724431 0.327662007903361 1.01195768256055 6.33219287719976 0.589027671538858 1.13193529703587 0.483510226225766 0.353170753165377 0.593495001136383 9.37341303492484 0.272526656125594 3.77567064930241 0.576483468681038 0.888468277805339 0.638146302600484 0.958227535661656 6.56157852162671 0.229854860664772 0.426664190247634 0.197975038673682 0.955431788911345 2.15566004306037 0.504221724223044 1.16067479160201 0.250979366704709 7.78682919795793 0.387494409728417 0.592737412419079 1.74114904213904 3.58584091125704 0.243503676749114 0.437527034919952 1.3972624165125 4.79764805360796 2.57914724836446 1.3171950644317 1.24246260322146 2.68792721283111 1.74841700615602 2.52247228080637 41.2343026395857 1.11648293103743 0.584826719909676 0.15926225521942 0.713677897715748 2.07110825454003 0.477566820546784 2.73463622300479 0.326176156483615 5.39267533902095 0.263530901066245 0.74556016354141 1.14092372059151 0.474336071242666 0.478084913476037 2.68692035298747 1.60740286368535 0.809896552482569 0.71418132763757 3.60236856446713 3.97475274503718 1.95099134149411 10.7095453734546 1.19479805373015 1.34141835270887 3.23944202369053 0.996568856260982 0.708817110752139 0.864902381028023 1.92214187437224 0.405566566387988 1.96244559413284 0.198713076714411 2.38958144445286 0.512767813721154 0.586943080648985 7.88506157241204 0.887678919238599 2.0823938825933 4.56609717175025 0.789769130947988 0.807464937083479 14.2228777129619 1.15805500094088 1.12107000852898 32.4323705439731 3.81764106424108 2.12056413477259 0.389488578739128 0.817770587473393 53.748434112998 0.487997106499867 0.988650832247863 1.00252448111282 3.21472996849897 47.2071174238074 1.47865677076587 0.914678403589504 0.553667829117311 0.536832252751147 1.20549471765157 0.451777034308994 0.255749731789156 1.30837037779239 0.797794683682272 0.662398916892518 7.41752669278311 26.4884296652191 0.350700036413135 0.728964082963296 3.20530165472039 0.371910076663091 0.652039502142021 0.408296329604856 0.997475518887175 0.319592466146782 11.6946453140694 3.27188637146774 1.12922264066101 0.463187297925429 0.34554354546632 1.42278338094738 1.50643095067609 3.02589731495896 0.33880100588231 0.4559584352616 3.60017155718695 0.150789480758469 0.186249520397465 0.995510675891328 0.515297182503122 3.8641814498293 0.475230514695999 2.80810033407219 0.18475144980486 0.33811184453302 2.9246199226282 1.48574144718996 6.07301688934073 4.66504558973394 1.1848785292026 22.3162370812795 0.318768893896034 0.579975708284355 2.98473336542903 5.40740188615152 0.423365013575501 1.44925744086531 1.28338705696334 5.03394730603896 0.449008169738974 0.949295320301178 1.77965165582011 4.33527699642956 0.793684153932252 0.303314084063022 0.839466950803166 0.404068495795383 1.16388599022955 pregnenetriol sulfate* 0.632283351966085 1.90979967771801 1.21530000631392 0.150726275394876 1.14164421898736 3.27575309657401 1.62863281932178 0.106729299332916 0.165567997701579 2.68823554045114 2.10049628418898 2.31573341063883 0.0829996054774714 0.335482873923539 1.12637206132252 2.52329245191408 1.35476624831894 1.24661910528825 0.367194550688366 0.081675627803583 0.136956752007391 0.692746036267291 0.873627938677482 1.38763258089689 0.0243061142175781 0.0353960478514469 1.62432379836904 1.65745461532368 0.680993076602843 0.744313747962725 3.42175469566729 0.495100232448058 1.98106137967798 0.0261604281411222 0.304267557006425 0.636165006454596 0.118581805470305 0.115783804514272 0.734783530182463 0.0744464965809449 0.147693640181261 0.0592046579522736 2.2100056793107 1.06477295143409 0.298964053357996 0.771548396626911 0.026408152517476 0.164795430127505 1.29543664173825 2.88595668860404 0.172043661880081 0.0579535581019175 3.01473482940507 1.37702640833602 0.0673476334523328 1.46382939680949 2.92305772620217 0.109106256325 0.199147277646728 0.167356716679466 1.10439930967474 2.88843393236758 0.522419147809795 0.0480977979137937 0.0668698006552769 0.0775054338800702 0.362614905116976 0.103852664550917 0.0436824320294774 0.0438009727310511 0.140007578530921 0.585846130132367 10.9041271798598 0.649668003460801 0.523792458352486 0.210073941138853 0.151933213508135 2.37152454168697 0.977256149757643 0.081656193430533 0.383666339119991 0.719999339401663 1.03690671158735 0.0318122139127515 3.7122837343257 0.0397430639468365 2.38180345180981 0.9411049057684 1.43493188955897 3.10670039388176 0.900419021195114 0.499424086699862 1.14099865953588 6.14542411789478 4.75765784859637 0.482771870621816 2.01501393220243 7.14508592824618 0.358119900433151 4.34971929158168 0.469479164086204 0.537175446660813 7.65216634967122 0.0743969517056741 3.00987392664239 0.0582574333369116 0.110780139111 0.939715814265438 1.70836748718485 2.55670199950272 1.45219369110238 1.41856446476396 0.568741404193515 3.69064363380465 4.74752280211135 0.557420950692757 0.634217709356917 12.3219653534522 1.72369079960841 4.0016492938479 4.92255457046887 0.339562592151174 1.29291499108651 1.56711137779711 1.31032395925943 10.38179941482 4.01682837563456 1.72788963603784 17.6010290654093 4.28041592005292 3.45988305574441 2.68275370416755 4.70870017184732 4.2351293350619 5.52121263834718 0.285566385086626 0.715829128900168 0.210231016743415 1.01496457082669 1.15501435425136 1.10642587857285 2.41831875888253 0.892884163164119 1.65298292261549 0.106052457012939 0.36004848057795 2.94660145093085 4.25364553944735 2.42910449472943 0.598684858810868 2.05837670803664 0.474161705297907 0.787696355974424 0.985035429173307 0.780557122947443 1.06909436555494 4.80742072131833 0.758972072287808 1.9901515797934 0.0516419079914966 5.34055073716352 1.28556877058062 3.46402353932074 0.729922994418862 0.37622102886356 3.2751177378911 9.53310304141309 0.328232229675362 4.73996188714595 0.641761008366661 0.447098092430552 5.96856763013099 0.0657295345258968 0.447857046519885 6.98512240795434 0.0283495776299383 8.97172877667281 2.7842906045484 0.931364750289241 4.95787969953786 2.45312311626256 0.156777968311465 0.425904262786019 1.24960983410724 1.61808351247476 2.64442615565715 0.934806467624718 7.05070954683872 0.0802979298499616 7.2748828584824 4.32024082479372 1.32274063900044 5.97916032446388 3.32758759579823 0.0840288424573891 8.45944907933694 17.5034197891407 3.04872665083066 1.51701490291498 0.10193692937378 1.2254565239132 0.260639807839284 1.43020053747015 0.565656409959988 0.346485295723268 0.0838240569729366 0.244563046312531 0.834856471248834 0.0138127442264164 15.0398937170676 4.54404016437889 0.505020455611003 2.89091374512465 0.598853311386789 0.169767533610234 9.86258453594343 3.84590002394669 0.246410886660593 0.699720438453796 1.04686963550569 3.53022026367049 1.05514142768146 6.68146920740127 6.73637924216526 0.917448145324294 14.0971402514494 5.86880700527836 1.82051433085517 10.6104747041299 1.02116465321799 0.493591003384649 4.83260860190785 1.38653021641018 1.04083323470233 0.0494879904139841 9.29435949944996 0.0155824137712733 0.675299218934216 4.06630205308458 0.0209244523226913 2.2697439539196 0.070493182533413 0.224355343185424 1.17559162544808 3.61125732965967 0.633906127141325 0.0310624348003204 0.770671635834157 0.552870529148443 1.04484343360666 0.735725983809836 0.59685353342123 0.128589503275925 0.825124022750273 0.191353318268021 0.498245652666569 3.28084732746685 0.105575358214036 2.81060186930979 0.0355405575266464 1.10240613769255 1.21593289788893 0.139746642187828 1.03982435424219 0.445496141463464 2.41134210644625 5.88820841143533 0.0533682716453761 0.192253567001645 0.571674093810469 1.33056616029969 0.511463124391584 pregnenetriol disulfate* 1.61417450825611 0.913434403733423 3.46666713333912 0.338239471666009 0.341192612922388 3.21257708845554 3.88143261171121 0.0581054411674452 0.841084925541054 2.0126165982476 3.45447005191948 1.23706453152082 0.0467605796136961 1 0.540921611888817 2.28625902502466 11.1518192655737 4.87497527585633 0.416172821397995 1.06447877598111 1.37984204548396 0.379213502809233 1.18659870830492 1.85311042343851 0.201319890779111 0.531971268388048 0.042421014195362 0.251906506189949 6.5263913038736 4.70002992130112 0.310888179148825 0.720365091967303 0.0411406494875855 6.41120870172647 0.158136111315054 3.82155447257399 0.0845767891955708 0.699818801560329 0.158125289344016 1.61492313435351 0.3556907627 1.3989694535071 0.957361866859261 0.188422011446159 0.427094901610937 0.0603209206643224 1.34101065821736 2.78358158586457 1.61097672182028 1.04845001599908 0.169820199835314 0.229049667966997 0.209238310289529 2.00411451116536 6.49096244871824 0.091890013574389 0.149462436705134 0.0150519590324956 2.92467389926596 6.03949570749955 7.5171740344665 0.00930926828787893 0.031944767883381 4.08059021976689 0.289184916051288 8.05557349267952 0.274132787222195 0.621876474842639 0.404126685581442 6.31785931655681 7.25417217833499 0.40806520257286 0.275342078593921 0.124777407272168 0.307456727973709 0.0162030101710709 1.00988657672145 0.199289333318278 0.752625288877075 0.0412035216833227 0.190324327633064 0.21223156961928 5.12788748666142 0.404790929873241 0.00478232118571681 1.33479763089599 0.338286271800716 0.0866915209267091 1.4211295226279 0.179373805427871 0.725912378672902 1.1922062682282 0.488252834605633 1.87093021962596 0.123623978981219 2.04787381124341 0.0452293990244676 1.04409948756236 0.795184636396291 5.12318836580877 2.52848936466273 1.81070506424297 0.985875045494876 7.49197010662972 3.60784762521204 0.684378602606259 1.2640619811918 4.38962172628975 0.604678286810056 2.6051864031299 6.40514300311942 0.102832215746274 2.39910546058219 1.21738065145691 1.02938270701453 0.132368079292295 0.166839590352123 0.554670726616525 0.346290143842339 0.742058167390411 1.79643043403661 0.626855590285563 0.377122404414915 2.47474755278531 0.737584281725157 0.608456176219664 0.262859142090802 4.56655546970451 1.66183717032611 1 3.49413917327225 0.273056531485086 0.3246273240591 2.72777521715075 7.93332130041441 0.105796864349243 6.20110462874865 6.99552008655551 0.777981524262363 8.54476173674413 3.48806232282256 1.46646164859422 0.857820224286025 5.64057328765013 3.70799196081027 4.22417446804212 0.255752645070181 2.83182419531906 0.465508495390744 2.18323735722122 1.40450796384249 0.2764389646177 0.553028538817922 0.573325260071082 1.80308314964879 0.0958795544435388 0.557834207035879 2.403080144249 6.16651315639226 5.78038414612559 0.546441109997717 2.0918890796931 0.680959323611856 2.4565824580248 1.09178516417506 2.45326751903993 0.0608804004550888 0.260548380187148 2.08043069586296 2.19321409593627 0.46145833713607 0.128562003647401 1.64271730929444 0.671123091581748 6.00096758591432 0.344985766375672 1.01672462532046 2.62707326952434 9.47042546527876 0.612322784351783 12.5050275499225 0.272534916335698 0.783752995530359 2.17958520219252 0.43507364375604 2.16737436473787 1.89105688958611 9.14587726643438 0.490174337808125 0.757941195872347 0.750734179265645 1.22652470765483 0.00862362962471811 0.255140188740805 0.515347872053849 3.47364930838874 2.01917173389239 1.58434208784784 7.28850870109932 0.522158753197164 6.19655569298704 8.34583194772234 0.748959804815415 7.31172176382329 3.23404712144252 0.175041784820337 7.27334306324439 9.54731038368173 4.28566180643714 0.442554372478892 0.269073103293468 0.631917481570065 0.125452518546246 1.31416700463265 1.84091714274095 0.651954074434923 0.208914932668432 0.235850616009323 1.03887263888279 0.150811300880506 0.0232971969383296 5.11293350026603 2.34787791183125 0.404331120685564 3.50217938178587 0.994984293390183 0.0603883299137713 7.00516461822636 1.08222510631177 0.75732067420456 2.26311765741142 0.293254431118147 0.932793827282391 1.04764458583596 0.200748480384121 5.57096933227233 0.459989341867537 11.4890815269027 3.10171979333377 1.74760975206386 6.01006741009843 0.40878318748796 0.221511717790583 8.71068646302565 14.6141683035766 1.32871560165005 6.6929012881534 0.0470493638612901 1.38388947803592 6.89894020604308 0.454482074106197 7.06975702701099 0.0195466447810171 0.229400722433586 0.386614373842359 10.8336564704093 0.338331607492411 0.325699759372751 0.108703867007154 2.81463152567592 0.597079973943014 0.74549485053612 12.3213297892255 5.14720787747545 0.177752247915938 2.37131103094636 0.0726896689552135 0.719139277272666 10.2457242881893 2.91437420742132 9.3074219196711 0.0948608597531888 2.32613078803705 1.83993563350559 1.25113613026252 3.10910866209704 1.13859010583337 3.5288691996527 9.98010934731122 0.0693679381064233 0.218896935078016 0.338835054405801 0.386116784911603 1.85513489108694 eicosenedioate (C20:1-DC)* 0.948205968892621 1.59708527021278 1.04501950058023 1 1.94420228037625 0.983309240669011 0.689043146286649 0.88290853771263 1.35346945503062 0.53381028641686 1.95903096260032 0.648352529507017 0.870056641890944 0.621669810963536 2.7376865696575 0.628279516483614 2.28081281002136 0.592853276787962 0.616550212601986 2.59793166889774 2.37955301239974 0.828586447375162 0.850096110798043 2.05234975866501 1.52214780348404 0.312401299890191 1.34784201745809 0.665694793088932 2.68214388332171 1.64449250603059 1.26393606571618 0.525149177768225 1.68672780041028 0.723884702680188 2.5739095377995 2.03634257461624 1.12513395977324 0.758016877637131 1.18454091273847 0.968467034247107 1.67013926639228 1.18048846781083 0.478097900649737 1.58777147886413 0.643654060210712 3.85479407729544 2.13239885066398 0.868619761331573 1.25940824726256 1 0.94251119567187 0.442285987937149 1.64358546245244 1.45035981465662 1.09409800419352 1.94190028733401 1.58741554709948 0.682288835391266 1.01493877973648 1.22672723978152 1.3626828194973 1.10371981051487 1.44600709274935 0.399174238306024 1.05670575444591 0.86700059537677 0.91526753125728 1.50607672594548 1.08639564080661 0.220779943568637 0.5956162149569 3.03534467137791 1.29293960808677 1.10962698351065 2.32752711552898 0.203705573244286 0.679551396546815 0.750121663948642 0.18382387201988 0.293729129455619 1.75915197639202 0.953042893013383 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0.861803149923467 2.38479819544026 3.4994562152582 1.287969266092 1.08764500926448 2.45856158865705 2.34930617094981 1.32645714170628 0.402697776524611 1.54580882945299 6.0618706195118 1.39936961250302 8.37818214774833 0.404379481189076 0.508776081527431 1.51477281881898 1.12342403125755 0.771106904052203 1.24886208007734 4-vinylcatechol sulfate 1 0.225827588106232 0.173617932452654 0.188542517740588 1.59144320716784 0.1370316989654 0.518135333376174 0.968016450780769 4.36444859590016 0.387325462907712 0.1928468480047 0.413414225518906 0.192843405458501 1.31922730903049 1.77025135177314 1.94779149186182 0.241768872038263 0.905637513655433 0.709430740560538 4.11545152435946 0.179424360374916 1.14416006462807 0.375042458069787 1.36607577273687 0.665537129008271 8.16729512260055 1.65262413821594 0.386669084099109 1.44580973276661 1.06392349285327 1.44960915625488 1.48477132313116 0.563031873387741 1 0.364951207645207 51.5319835492192 2.27894951850254 1.75116587564605 0.948681963811954 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0.598048975080607 1.32261263865965 1.98565552021842 0.331293619917948 2.43818826603621 2.17976987348165 1.61909815876827 0.479701069751611 0.450003842761518 0.996737312482387 2.06550810456703 0.654596125764435 0.519158910997984 1.38072068247445 0.761373659150713 0.398814599565951 1.19971929542053 0.87557870158578 0.415927697527092 0.926963742630132 0.181116669899466 0.544850516576941 3.12959072759945 0.765780025691606 2.37750008234489 0.256436625543019 1.3841279310206 0.661816857645815 0.706178794544011 1.74476195007338 1.2558364227916 2.36884105972383 1.13390559981848 1.92389685296131 1.80508598636369 0.817384653108428 2.61034947171179 1.20188405107579 0.867280166592861 1.55927185158889 0.622953729491548 0.784527212241208 0.855660387716338 0.958278589230752 1.00326268751761 1.40418348637284 0.495187398670039 0.287751472143639 1.69436687759158 0.291402095585948 0.853082077726256 1.56461146021278 4.41956002210503 1.71588634209361 1.48805267145121 0.807732002151946 1.07097763512796 2.18290263906222 1.16574928359946 1.14192965184581 1.31335158340073 1.89360308299267 0.341024955991231 5.13934768208285 1.07798427029619 0.957813798075691 0.725535333277217 1.27934314396449 1.92272023598216 1.57774089540003 3.32352941176471 0.687614596638133 0.594713092105504 1.53686123239192 1.50675594072632 1.61052514080976 2.01306904893482 0.602532196851863 0.574050014456103 0.94899191556172 0.643938867153905 0.576289795455294 1.01443780398988 4.16309960803833 0.214261402937334 1.25019305301913 0.603860694405305 0.501419991875304 1.28536164045659 0.766533938903752 0.1740734370025 0.647536423889533 2.33339981920722 2.49367042281356 0.188575287017688 0.512337094359924 0.486361856383193 2.13854802170977 1.34409001577362 1.36142452999367 0.741334572776414 1.02290468853503 1.63309496012678 0.495571674821861 2.10946929633547 0.345744233112893 3.21044060005636 1.48663267957591 0.284150255635135 1.68710405832214 1.39845045216494 1.46405920048602 0.847649144894068 0.249056693541599 0.397039609721821 4.60234371854883 0.3673606815961 0.242417865547264 1.71959918167479 0.58938995245955 0.878352809424647 2.02185982337936 0.33572011520965 2.13804480293953 0.870890532533551 0.847511903411274 0.245854392276415 2.47656647428461 1.10921494212069 0.430491763681146 0.332709952020378 1.51912780292855 1.66149296774642 1.63640522469176 1.37131872595987 0.610838051390531 1.40140388887466 1.63566595057111 1.13975757664479 0.142599390281839 2.00416665141761 0.204639860050285 1.93628335425504 1.19921424676385 1.02827540522835 1.46327051943156 0.286444933227444 2.06746242328201 0.699243524946842 2.71322385732741 0.716331004497861 0.930949235290458 0.356299018082938 1.23097741554159 1.5348117595822 0.24841074362925 vanilloylglycine 1.22348608527279 0.444496753863093 1.75018034093929 0.983985724590911 57.1799840540643 2.03984205930369 0.574645962261286 0.809522001594594 0.375663464824025 0.576445575002848 7.82341774554843 0.927886404191503 1.17775921637116 0.440722882417708 1.53566194616348 0.943384335016516 3.97962716883709 9.26191579027298 4.70485591708114 0.535677132768898 0.47840844375261 1.01601427540909 2.11565502695102 0.581342150579269 6.24947269744551 0.343200089666908 2.51810150701542 0.870482265312153 0.533192040024047 0.11912452491823 2.96289522218033 4.61359676383978 2.47348712566613 1.20814949918994 0.179099458941727 2.51796904453796 2.06003607055155 1.66181310563373 0.218975759366626 1.62232909793053 1.81177591424583 0.228706656748963 0.168441324217198 1.27312743909273 15.434125391019 10.949893520547 0.423202331339603 0.195152892267248 0.670458829643065 0.232548068595185 0.282634169205531 1.22875250914501 4.47189757593666 3.97211664849553 0.15811944039698 4.13814817456517 0.258312020460358 1.50721411031068 0.334192641199906 1.3406017872245 0.153406833025953 0.297245799411051 0.188132380962085 1.51364872988863 4.13647201475428 0.169969737418612 1.72745845263448 0.201913573328171 0.549933259290205 0.224309921439561 0.226821613800552 0.284045404061503 0.354398263722603 0.427583782516991 0.31609113418449 0.361143660651512 1.18330259524562 0.198306518172833 0.159393118064825 3.49844611324523 6.38116587359004 8.25849033533386 3.04824181534731 0.518233969492873 3.19542291193283 0.291009873549281 2.10420211736176 0.288482897056276 0.98184754587787 1.10716214426183 1.64847515309606 16.2339185457658 0.309060433457984 0.754220967791239 0.755917506444809 1.91699697374186 2.42473074454102 38.964668181494 0.357944182349884 4.00847250384651 1.03105226154207 2.52482143039097 0.312183491099541 1.62946169287046 0.96056184469284 0.965814491395034 0.225496989025993 0.447616184876861 0.288819147960587 2.56907408728258 0.35977318348091 0.233704567917588 1.33305142600952 1 0.150910424796976 7.8038230708878 2.49055440641526 0.77735604894998 0.366865020735472 1.53416512976228 0.98704924547335 1.15386535698638 0.168390377110484 0.141459736501564 0.224396531520975 4.19484720962697 4.9452063867293 2.45958875495461 1.40470853160249 0.778843704466023 0.237469559103739 1.45466216973538 0.444386138311205 2.73743389612904 4.41457189146228 0.319555537441029 5.22862004666755 0.685365953067525 2.72275603468479 8.36222883402452 0.317955798290215 0.673271109933667 4.17007163163204 6.78122293434956 1.23027582763575 9.14225960607697 5.4829989504896 1.0780611569069 1.20045139136548 0.364001793338156 0.273254806859518 branched chain 14:0 dicarboxylic acid** 1.09271319933063 1.12072196054867 0.795632959237076 1.60546413134074 0.471855556201663 0.779011843150937 1.08453347806142 4.82569957292293 0.775590703804927 0.849263114367493 7.94952608013026 0.734637178319216 34.0908491791204 0.569543783476446 4.51090952556324 2.4628391256873 0.915466521938581 1.63640299018563 0.286422696465146 1.90996168582376 1.94805941604802 2.22932617446195 0.721395204589948 0.793497573866243 0.840337138906657 0.840673114819768 0.790453887891939 2.04084524370119 4.2231215981741 1.73691556471901 1.40378586367667 0.654092372698001 0.749031686032946 1.03827438602743 0.724981863999084 0.707600999495162 0.389238881889029 0.656811712250604 1.00160784663095 1.19815967317017 1.85027087337041 1.85962523173779 0.96806366902965 1.02101654936598 2.32667710282158 1.35177478268616 0.542926111174746 0.547045422727909 1.04445547452687 0.915891379142114 1 0.727170911127232 0.825118043093683 0.757435760375702 1.31979602832186 2.95545119400642 0.776415986831779 1.26675830119761 0.536600783135853 0.345589451847327 2.90690186196276 0.463475578973269 0.332429715042063 0.426584195588816 0.870981974299908 2.70135203356539 1.65841107420276 0.851246611431408 0.426227839079582 0.964275259949346 1.21039033764779 1.66774422087316 1.42865021487449 5.14545284851879 0.613399853215057 2.39009159210755 2.9177537661368 1.58683008158019 0.824799867639011 0.518443570522529 0.595535362020032 0.858199805700856 0.255830034914453 1.3471718444419 0.297001938749104 0.460022314705221 2.17890793699278 0.542391576410896 0.574858199805701 0.333855141078997 2.21539629813464 1.68047972373886 0.59685048723268 1.15851501151795 0.521548962960135 1.02245046008171 0.455024838897161 1.3155749006232 1.11323652314833 0.891434292526271 7.19501185733861 1.59107242097582 1.2487877515177 1.7271030336969 0.606349085139509 1.23136870595921 10.6245444788074 0.412834773607558 0.405682189386515 1.16928206890408 0.611427165396086 1.17370682889373 1.13331975784727 1.54166189403485 1.48198914809583 0.83922806392357 0.21464116172222 6.99357285581561 0.531611792006584 0.568168030578782 0.705318620900309 0.89036522299857 0.872734060470306 1.37729669649031 1.25044650622139 0.614935580076277 0.610612636232124 0.44447838315961 0.757558788218175 0.386163185827193 1.66132980370696 1.22609547809044 0.351325094710227 1.26021661384954 0.644148329154629 0.721711020325048 0.349229379048783 3.89598208035839 1.07302763035648 1.03637806031758 6.91360475820787 1.08778248677451 1.07780450451597 3.03387932241355 1.21481085529805 0.650914860490669 0.409835439654843 6.51943203560171 1.13538153479355 1.5381152983001 1.06615928287495 0.561889368273241 0.256411235411655 1.93083714083294 1.57607999355164 2.58851853265965 1.20490923514863 0.751861326409835 0.612368964741917 0.505835337838698 0.52704703481688 1.04187188983493 2.68069608304804 1.59860681574247 0.82972946601674 2.98138461473195 1.23406259147544 1.30074792443545 0.901289246942334 3.72149041867648 0.503692956443901 2.0698967838825 0.825381068136213 1.05647826437411 0.75682486350273 0.847776377805777 1.43784336434483 0.514947882860525 2.79899371709536 2.96481827939199 0.409763319885117 0.980396149652764 3.63384368676263 1.69274856927104 0.433902231046288 0.819301795782266 0.931312282845252 2.9692769780968 0.443371132577348 1.40000593927515 1.62289845112189 2.02619220342866 0.718673505317772 1.12637504825661 0.973672041710681 0.660744360870358 8.94981312494962 0.570802523343473 0.957351762055668 0.710473063266008 0.563980841595289 N-succinyl-phenylalanine 0.500915963024573 1.85900486407951 1.01558189972837 0.458343686172117 0.487456570718663 0.39874923669748 3.31256869722684 0.893659851340254 0.757789897033122 1.33709544966415 1.39686677475732 2.95233202080394 0.835737297593228 1 3.34783011517972 2.33314101619254 0.653921795708661 0.575944915878798 1.7648354425049 3.05201055541593 2.82807237999497 0.765795425986429 0.648008293541091 1.63288514702187 0.830862025634582 0.775332998240764 0.625596883639105 1.17925986428751 5.91727821060568 1.31080673536064 12.4606999246042 0.314909525006283 2.11227695400855 0.694012314651923 5.54553279718522 0.762880120633325 2.18602663985926 1.2514953505906 0.424981151042976 0.302613722040714 0.361466448856497 0.499283739633074 1.03233224428248 1.43998492083438 10.1635963810003 1.19646267906509 0.591605931138477 0.207187735611963 0.530880874591606 0.31727821060568 0.37683463181704 1.11868559939683 0.888206835888414 0.916423724553908 1.23950113093742 1.79644383010807 1.05374465946218 0.273121387283237 1.76882382508168 0.525590600653431 0.314607941693893 1.60826212616235 2.2076526765519 1.14102161347072 1.76409901985424 5.69944709726062 2.03444961045489 0.283236994219653 0.569106559437044 0.477462930384519 0.538451872329731 0.210065343051018 0.606207589846695 2.91863533551144 0.805535310379492 0.406955265141996 0.325640864538829 0.560856999246042 3.01480899723549 0.42119879366675 0.469552651419955 0.375873335008796 1.00387660216135 0.821337019351596 0.337308368936919 1.62476124654436 1.06091354611712 0.952984418195527 1.44879994973612 0.339325207338527 1.00316034179442 2.30393314903242 0.775936164865544 0.769320180949987 0.508381502890173 2.23520985172154 1.4341731590852 1.29415682332244 1.58737748177934 2.03217516964061 0.847046996732848 0.450037697914049 0.244584066348329 0.470991455139482 0.456955265141996 0.611460165870822 2.56550640864539 6.61839029907012 0.668804976124654 0.739331490324202 0.39665745162101 1.18844558934406 0.404354109072631 0.626558180447349 0.726112088464438 0.37498743402865 0.774214626790651 0.453763508419201 5.95338024629304 4.6781917567228 1.1273686855994 4.57478637848706 3.04946594621764 0.509330233727067 1.0180949987434 0.961409901985423 0.625326715255089 0.886359638100025 2.08092485549133 2.2447914048756 5.9901294295049 1.11406132194019 0.464212113596381 1.7577029404373 0.508595124403116 0.733708218145263 0.996839658205579 1.8819803970847 0.595727569741141 0.348378989695904 1.89654435787886 0.951551897461674 0.459311384770043 1.26476501633576 2.96354611711485 0.531151042975622 2.00991455139482 5.70746418698165 1.83951997989445 6.0630120633325 2.59478512188992 1.61568861522996 5.1847197788389 0.22135586830862 2.82237999497361 3.50034556421211 8.08811887408897 0.387333500879618 7.46065594370445 0.92848705704951 1.4703380246293 0.555981402362403 1.83976501633576 1.19444584066348 0.53620884644383 3.37343553656698 12.0431138477004 1.2748743402865 1.51086328223172 1-methyl-5-imidazolelactate 1.97072011261855 4.37498263745285 2.91398477090022 0.118541327544257 0.188604862761745 10.3020271651682 1.33959425483069 1.36332905187227 0.0497965655711225 1.51695599042992 0.519694981014347 0.389626482839561 0.148033467187517 1.56390119657213 0.0683186967711125 2.76217290131674 4.96878018937272 4.12356671197836 0.295158619548745 0.411898924224382 1.1277852256819 0.0565933199843308 0.720360766417947 1 8.55781142947216 4.92503281326327 0.289176539258085 1.84135391972183 2.0570037784024 0.484409603166304 0.319522369983785 0.122778569388542 0.339784657594963 1.98048371666196 0.373475022122616 3.48731503984822 6.18120382487554 5.22044965137132 2.20466961633535 0.286453681200363 0.29516420514738 0.563639448010359 0.0991981886541617 0.101147324179667 1.97538134507662 0.675751092277546 4.0847579679137 0.336494187213948 0.274987363508582 3.44812460619154 0.50779654210202 4.36991337944787 0.265366319769012 0.571342514696413 7.19690423270532 0.90714775347417 1.57912520858866 1.88308995104658 0.761738088808569 0.175467203977206 1.30101161172389 0.382913386371977 2.32690430194637 1.11325412157343 4.90363377024435 0.56856594863699 0.564868476627684 0.358962907570124 3.89173469599718 16.8496257521309 0.161186237649128 0.169412074254101 0.20690956426608 0.136020578439722 0.289583376608989 2.44084737195599 1.73260837955173 0.143882899538162 0.146728706646448 11.9398122182755 0.878364249461651 0.164970260969513 0.140199275738629 5.30161400884901 0.135979033810404 1.54888764255001 1.91084522548348 3.06136834160764 3.49367829223877 0.712296517867653 1.76414421525657 0.580766221446723 1.51501145939359 0.452119814710953 3.21145870117641 0.96577761159926 3.98233660843495 2.08481336075279 1.02666818996974 0.157042160874653 0.298892835628674 6.15298117335881 0.623342542392832 1.30561267942087 0.232656848285938 1.5716540994163 0.210838993789078 4.12130339350381 61.0192109290072 1.37065079661827 0.32866648663994 0.411980778684836 0.380032958739259 0.55566980328618 0.301420133912189 0.363311245438746 0.144287959674013 0.203395581036262 0.479868165042964 0.224967629809656 48.1311529327046 14.7899226577484 3.58730257645943 0.297054485781351 4.2344259570844 1.16256067246907 1.51507723839001 0.340659036303082 0.0989696931929125 2.85603747325565 1.07514384827901 0.783881376235087 0.737746065377398 0.362494201062158 2.44775416658012 0.48632835490192 3.1496679891707 5.79808271535697 0.483029018923579 0.166919396495018 0.399465459102774 0.517836494187214 1.15941020474578 0.170869598332676 4.16956094250916 0.366143204337259 1.36197835524813 4.01104394729371 1.07024850612437 64.5566253297605 0.792197226203583 0.280048884180498 0.982852454248977 0.310269139956932 0.565128130560922 0.367787679247765 3.89960047914806 4.86996531023452 5.56037127050401 2.22510264985494 7.3836854240668 0.249987882816449 7.60333187927131 3.51227643796348 0.679739376692078 1.00383941615948 1.9824370079558 25.5953587724947 1.5358876356259 0.659424052955554 1.27838017490289 0.363761312256358 0.743825429467606 0.675477590134535 0.412209274146085 0.210063494041808 1.82150696218746 17.0199483461776 4.19021900943755 2.85849206843785 0.146804871800198 0.875071837588196 3.28139908463333 0.996160583840524 1.22635591283937 7.96009984559246 3.65372897668654 9.6747367109117 0.506574437589581 0.430603158776649 11.2319332793253 2.68768132499671 0.775745552993637 0.247377495274298 7.00330279803078 4.2100946525138 0.493976028748884 0.272577775008136 4.66858118166774 1.24614846665697 10.5863643602473 1.85863055053558 4.13382217513831 5.65532498286284 14.4116795801223 0.404578910561337 1.69931382120576 5.60111616570768 0.73274686164946 0.189062683921536 0.341105641068251 5.91591020820783 0.888688089847185 3.18817293644364 0.421816469675883 0.212455772280039 3.61431350962104 1.66597771823048 0.258542614403523 0.441958690790248 0.882619111914307 4.05532706009431 1.04753398004473 1.50691371872901 0.759771643020848 22.0544442367213 1.51702291186307 0.332519751009188 1.3379655595023 0.278279775382038 0.164987571231729 0.62481391468118 1.60414546159545 0.133202467750982 0.720086135864786 0.621687681324997 1.85925371997535 0.564639981166435 0.854998857522694 1.98072675404887 2.36117169702887 1.15281845689399 0.190779861933349 0.540921459878274 5.43125402463597 2.52345886735492 4.10500058854892 6.47892302472598 0.537234374026298 36.73911011404 0.227744195869079 1.36925905153611 4.38664201685327 1.26848909107275 1.99328361826025 0.748748468041794 0.42080901241492 0.476655380375702 0.93122632821642 0.126472237801458 8.1682730590003 feruloylquinate (1) 0.457205851836481 4.41048454036107 0.46506536625856 0.5672079269558 0.355218925088193 0.17389499896244 0.58944801826105 2.34521166217058 1 1.13933388669849 6.44064639966798 11.0614754098361 1.08638721726499 5.4061734799751 0.32084457356298 2.09794044407553 0.870761568790205 1.64632703880473 0.392524382652003 2.33834301722349 0.394262295081967 feruloylquinate (4) 0.300789688337531 1.69921031166247 1.24285400234849 1.20804491080572 1.15355785161633 0.642413258767956 0.696267620359994 3.90611411076497 0.968767258435521 0.95296054218967 0.446201937770438 0.273657796389334 0.780523637689474 2.15989018943395 5.60757735800497 2.09395023136357 0.659292343822888 2.79826061779167 10.1087274735527 0.895256376573031 21.1745226618339 1.03123274156448 0.524334729200067 0.516635121150866 7.03070728084803 0.939212774057254 0.808566082046938 0.321110116191161 1.34138324852683 2.77440041178962 0.545385328922323 3.68376916189016 1.16568634284703 0.803987067232163 feruloylquinate (5) 0.492619506034822 0.562625509802704 0.660838871291638 1.33916112870836 3.57057532658427 1.61426826491108 10.9134215266133 8.176386559841 4.08093700184253 0.487040142434217 0.638034904664307 0.389292590522328 (2 or 3)-decenoate (10:1n7 or n8) 1.21602106824167 1.61141366878883 0.387246554677712 2.2822530745826 1.46897292321853 0.6061159264657 1.68520365114674 0.672250773439697 7.27763544782798 0.279225793255095 19.9695635498965 0.458039937613459 10.4244688195137 1.07254736519138 0.623609726163995 0.324348648717752 0.97272378614712 0.643082508757127 0.820786990872133 1.25990642018869 1.84546035642147 1.56291069008719 1 0.625547799851704 0.754411802306257 2.57726470813838 0.293605379560737 2.01335866435131 0.495288539528908 0.86156308348893 1.5180701248224 0.750148338876762 1.19136531646534 0.27539860969728 1.03269987642963 0.431804943903408 11.0019978116613 0.775352338854987 1.15855112383711 0.686849826620432 1.50662217407635 0.296078954387837 0.385887937463596 1.38489175344718 0.51234887126363 0.47576768770992 0.874415490389274 0.819015683093723 0.876805243302976 1.15470247848406 0.494363122683056 1.9355419948721 0.682859646926255 0.548837513132754 1.11418555152122 0.526600290689762 0.551978486780148 0.615521962319204 2.75716517601973 0.369932662315393 0.350319268811819 0.84468783512338 1.38756457504314 0.629669952803741 0.756844001937932 0.7461744900681 0.238768433487025 1.57883190619539 0.698961900044093 0.701357096586301 1.08641760251713 2.66503720720083 2.06538886560226 0.293950495642375 2.78248349219656 0.374733942656817 0.473568461793893 0.562245170140609 0.67603878040947 2.58941432000915 3.73101942831013 0.74108469741591 3.69444913201344 2.14874714889957 3.60804241675331 0.410199182366998 0.56249557705184 2.06723425566546 0.509441973641951 1.69626730393411 2.48179378446497 1.03626545310042 0.622495250434129 1.60242459213613 1.16128382534662 0.757878291353885 0.915438674803077 0.351407994512823 0.809897605347821 3.28797883517237 3.12804502969499 0.835188703382126 0.896287989722429 1.22036896914007 1.25066820539899 0.471581537389562 0.260581052906625 0.828411385893381 0.778613072329492 0.482011529605174 1.62496665777541 1.65030674846626 0.860006205736496 3.48753136890926 1.02502436023756 1.62020348283352 1.1089542245279 1.48387325055389 0.744878906483906 1.35283966880964 1.26580149264294 2.31972063298512 1.9288082264114 0.740377025710258 0.955057403062585 0.810229666686627 0.510367390487804 2.92874834649784 36.0272126988966 0.900822532267108 1.54886473127528 1.6260390525909 0.758264788977741 0.552909347254506 0.775025721144686 3.54093336454347 0.267761198904742 4.29556725330837 0.868922869227712 2.13821917137087 1.29552370428033 0.885672914137648 0.956309437618739 1.52167925052123 1.24876837905074 0.271751378598919 0.965563606077267 0.532904012498571 2.58416666213031 0.784867801481756 1.30223569822701 5.02326062460193 1.26137582266836 3.11353231610062 1.33105426753257 0.891867763376356 1.27019994447499 1.4630459278937 0.753860893517183 0.612408206814334 0.756844001937932 1.89188409426187 0.868569033374886 1.811721220897 1.02650502719092 1.45138567563595 1.46697622767432 0.533649789603758 0.45243629593742 1.47416726092945 1.22075546676393 3.02635804922129 15.3277772031726 1.20254108578614 1.70095971170543 1.08784383318545 0.934273629430433 0.988579267396476 5.95745259960479 0.430890414314565 2.90511211152906 2.36356361696452 29.5791258621347 0.809641754808085 0.714182285344119 0.807752815716844 0.305093603192144 0.89813337978563 0.955454787943452 1.32444570252748 0.704617830060805 0.695047931148987 0.685314723382018 5.43473361603911 5.69062226117441 0.620355904431658 1.40416764198344 0.856990435544717 0.631243161441691 1.12780006641227 2.13153439556671 1.28133760839625 1.02781694166063 0.599555799913991 0.472289209095215 0.791585239056946 2.02541630148992 1.26561096564526 2.46117331968797 1.18490917305839 0.827447863647993 2.18487106765886 1.69043717780524 1.30836522392366 0.846816293868841 1.86598875346351 1.95916734258387 1.10165431870267 1.4778036047708 0.475577160712244 1.2232214304767 1.28478886886843 0.924583970691504 0.920996619506698 1 2.45236552876686 6.27120157211991 0.377929352589262 1.92712070157484 8.00541096673399 1.42959483073037 0.178883076303341 0.285703398457276 0.872254369872782 3.52133085829691 1.60851056880474 0.752042721596507 1.80207511118611 14.93489420308 0.541646479877627 0.620513769658303 0.560258245736278 0.53746032955727 1.01160037234419 2.10060914202971 0.540242023723333 0.47419447907197 0.9214321097871 isoursodeoxycholate sulfate (1) 1.75554684759251 3.70370819159821 0.444683967717127 7.72390697419891 5.49549558353179 0.563113133703824 5.69308404237542 0.936414388725425 0.403875977324985 0.521548788317345 0.995081738131139 0.557330047325933 22.641465257019 1.15835669662445 3.26696301971311 0.531770329972081 1.00491826186886 0.830796351906376 0.549826055744992 1.11905517898312 0.989442550077999 0.358766928503389 1.56141888813728 0.969677098720267 9.46060369700567 0.905410908789707 1.63872744591852 0.508517746455541 0.213261178679404 0.514160580918591 2.80827477670251 0.527271974267294 2.53870604801414 2.75902508386598 12.351115452048 2.38765409942433 1.35713102420034 0.364772146831039 0.533653381559148 11.2189971975648 2.05839902259895 0.996282976931679 1.78372930960697 0.350314756270967 0.312668249651421 8.95906442839985 2.86079972942005 0.839978187942626 2.12342104173282 1.65578364647901 0.514485000759281 0.737344174938222 0.613381283045957 0.450543230669409 1.50852810028024 0.218431188481025 0.27580173115949 2.25050043486064 0.898052790700885 12.5063503458178 29.1422132335685 0.182927923574969 0.371087979899775 1.25160829410384 1.57821279180529 6.64502947388766 3.16200284385052 13.4302290266024 8.79059389538496 0.736412330714966 0.596204287863937 0.499503016414263 1.53447478498557 0.953335312064277 0.386304650938057 0.59734320858125 17.4921794110745 0.412641329707194 1.13696039316924 0.824116128497867 0.281230586578682 5.22799467123155 0.592949735632343 0.914142634289106 1.40519002719605 3.56875629857669 0.587624418460179 0.347878156190897 4.14463602854895 2.06565360244074 0.826721841048083 7.32079255076825 1.08576418128857 3.32510319311954 1.84734320858125 6.03876817096235 3.8995575465577 1.13879992269144 1.65349199994478 4.42510388337452 1.0898988086199 9.92998398608446 1.2576273175311 1 3.49655217637395 0.474677996051742 2.03440230821265 0.366590968703839 2.26683186769193 0.302580173115949 0.854390711928987 0.531482529646451 1.43047406712039 1.18501594489004 1.06365531427309 0.407412648232257 2.33030426439527 0.427274735287215 0.245993069839999 0.369334732250093 2.19385120863647 8.34578323232602 0.638503113049961 0.843218935074617 1.14855667683642 33.1953456106686 11.7905352237116 0.39021149412593 2.11675662989909 0.610085315515551 0.74243135414222 0.653581733092204 7.96728881648881 0.62121567707111 3.78256968124025 0.811418888137278 0.248685064262739 1.43498833469084 0.884851664204757 0.881459060977125 0.799104739290694 1.10411460993691 0.345935088421663 0.909014039786297 14.7863660836313 2.43461904827643 1.35473238814418 1.55075099741845 0.682810580228336 0.29410384195922 1.762369369245 17.7158461835802 0.6433763132101 1.35281002802435 5.71646741306239 0.84665295360106 3.52870770462609 0.375816226514074 3.53293206510485 0.494764415975261 0.725575327525988 0.481511520355619 0.875046592211163 0.380848185319657 3.92369921448983 0.368285544680205 0.453314604414871 0.534926901997598 0.816809779532559 0.529553266976821 2.24988610792827 3.13861700512169 0.820481936027169 chenodeoxycholic acid sulfate (1) 2.87946296312921 0.273074540574024 3.05486179066156 0.351722342421604 7.21004318200181 0.652506082288197 0.901390622054242 0.744364344773721 1.23614091158014 2.54864035048344 1.59106374956235 1.23852445034968 0.436061909165178 1.09860937794576 0.56574257781289 1.12694251676557 1.88438265896992 0.15306269021178 0.134322060526623 8.75943315767266 0.126385908841986 2.51339450035461 0.284574778479024 0.372833044555567 1.49878153350638 0.193413893421442 1.32461534590319 0.267675506597527 4.98164848161074 0.284735973118248 33.0266398003999 0.456076170124634 0.808666887326206 0.295219236866402 2.92116454039908 0.249229143318371 3.33835043444766 1.71593761916099 4.04198338085256 1.49347021967238 1.35470246770919 1.36643613551593 0.254025584892951 0.461573302518422 0.329657609947487 0.235780525053568 0.115939167648989 11.8918303708822 0.755565362646211 0.79361945520321 4.68480333234617 1.68115857872029 0.16331902917545 0.51001774954368 1.48709044911959 0.829614058722536 2.35200229176224 1.82101027228226 43.1043661554721 1.59030878786295 1.55756600913995 0.292803595589132 0.342792659392644 2.546902733662 1.06899868959203 1.23334746328632 0.408905354477937 5.99322923622765 0.576014308029104 1.01602491517189 3.09524168994238 0.362791381890046 3.57062750540519 0.467291094451961 0.984420275127605 2.03782569057726 0.710295316017366 0.166965718411329 5.0184986247491 1.49771694800758 2.90765011139436 0.155394641844404 0.192155746922864 0.26946013901551 0.554703241953185 0.177538020219382 0.355219275578602 1.37299398218852 0.517597598295115 2.19686702165754 1.02699982385949 0.948181784748555 1.30222808066848 0.8500889412794 1.94315500558424 0.781576089796819 0.677413173374523 10.0591483703132 0.49668139665875 13.9600567520851 2.66943071774354 0.600077811521912 0.36872596214334 0.884604738760397 1.04877930755488 2.16251381541636 2.25907752698724 0.191098903864058 0.218720058532846 4.20593729010729 0.62602659915259 1.4758445550323 0.630668191927345 0.288866564853581 1.79539053835121 0.841518060209085 1.7553117977365 4.6556685306591 0.545869117923168 1.25527018212155 1.20605149109716 1.94430475792294 0.149812342610712 0.673224513339256 2.94998964448651 0.591084967472074 0.446297468415684 1.85632741230235 1.0155797248724 0.192976445561937 0.341937119773611 0.269626601475322 2.48588069287096 3.01704304603074 0.384137288945925 2.55358058815445 0.678051924673801 10.5253981065863 branched-chain, straight-chain, or cyclopropyl 10:1 fatty acid (1)* 0.714924397172055 0.584119956686973 0.52050769826058 0.718660295692394 2.62399403696005 3.36484625975218 0.577933452714113 2.5268006850897 1.23136625003375 1.05438124461962 1 0.437395579311731 2.39100954746286 9.4471200136778 0.506802904732338 6.0170942478261 0.681857720906934 1.00255558855024 2.4044518832468 0.998576729146608 0.339065410468915 0.358821729701518 1.27056693872287 1.45180375959471 0.555270601433169 0.209952697615684 1.23344341561009 0.873381385596919 1.31284513193376 0.856788057122803 0.518169574698474 0.594909219615642 3.5200877658697 1.36672395744285 5.31738640078947 1.61347339565181 0.174820074129899 0.736208621457124 0.777429605242861 3.79124852908122 2.47059043891776 0.297896861599214 0.663570575454277 0.299069189375008 0.648350146981697 0.467564863661806 5.5508331900978 1.20363906407697 1.13554268639351 0.635240789955002 2.40316396282046 0.326433787720528 0.357229428071521 0.466390332262372 0.291872154570977 0.636410914107158 0.349128907575617 0.297478173107859 1.1543329851608 0.58450235567367 0.777951864045236 1.51627155694825 1.18918329300702 0.423886839518905 0.711411244650704 0.486066487732427 0.770474969039088 0.433653299485674 1.68575004737791 1.28444814653216 0.480365713379081 0.516370720011988 1.3113984636336 7.17908408587081 0.173288555700995 0.663762290710845 1.58296422637385 0.934501694586578 1.38724718927805 0.725368996778302 1.12121692911824 4.39635035852957 1.45320164478468 0.434640522875817 0.630853375290327 0.634945504387415 0.4414761634031 1.17677689192108 3.74597948867117 3.02134429856456 0.697186854062821 0.368527406467195 2.82487582580796 0.611139758218414 0.743588557023169 0.342619403346864 0.297198312905742 1.14140432527248 0.694238405634225 2.52647433439548 0.903866918761211 2.44313549200305 0.702230948571832 0.226887293465375 0.798394880541563 0.663429543541399 0.40865759655177 3.04352377048819 1.09381046192359 1.67528283509403 0.585095130432483 0.98312024292747 1.05238013389217 0.848302548711101 0.246929250459456 0.172459993212839 1.1681541126228 0.574868113125223 0.396125588918417 0.456833216541281 2.93042499085496 2.45254055769307 3.65718227052565 0.316995667675926 2.19044376572836 2.38599112380398 1.04941626009811 2.82363298207573 0.161635793899488 0.495174064231222 0.914829946363801 1.57094786667196 1.61329490213707 1.410925125276 0.8516895182438 2.78516432421474 0.288985407604264 0.502728086064725 2.7162041260649 1.99899514762075 1.49482809531994 0.37737715900026 2.62496749655133 0.348445784247617 1.86109017668654 5.25097289983649 3.1863868946095 2.04795746124928 1.58334324963971 0.615454453303012 2.27889060771533 0.810058660461263 5.73453166386807 13.2041745446212 0.868743361583788 1.21279732391945 1.01085284642065 0.889532346991393 1.14159824415269 0.699639487172707 1.63861013049859 0.598241949061036 7.98109070555622 0.467664026725548 0.763092829849405 0.482009616613559 3.92332491549103 0.570183209269322 2.80518644859607 1.89066280591805 2.71715168422955 0.301863384148895 1.01474664939026 0.863135139423268 3.19263416762524 0.713804379922344 0.806713559777698 1.22080529222253 0.894323024781951 0.399204051141697 1.28874741625128 1.61814287414224 1.6689055482836 2.03689306695931 0.989147153579346 2.55609764697068 1.57130265007779 1.10648790871709 1.67739831378719 3.02600716618407 1.93783136990467 0.352368234324523 1.22759245302976 0.67281698024231 1.0943062772423 0.832901423100146 1.84513814516591 0.680886650007272 0.770942137250495 2.59332786834671 7.19476727530752 1.41727596860277 2.00900620981141 0.717510874882657 1.33830030101499 13.3902066558248 1.4994535013376 0.429188757993645 1.66672175725763 10.0913115527173 0.623149507049392 0.843968021013755 0.243760439666988 0.246358511937029 0.654117030044205 0.306294871286343 1.42516934847664 0.748533488468438 1.64733207286061 1.61351085725367 0.300446454149203 4.5599297484784 0.924882877403603 0.706296634185254 1.17050758266894 0.40450156236916 0.506335417961296 1.77184341931873 0.694240609257864 2.07502457040357 1.62899351693926 0.688788844375691 1.85645815979797 0.378908677429165 7.41578191177572 0.525599495810912 0.981108334545326 1.43217246440046 1.17032027465965 0.878342346154016 0.9726023472999 0.885799408547415 0.686726252649858 5.20653462553824 1.81866601439407 3.16033124870537 0.827861735838413 2.67620394977501 1.21578543757355 3.82027025240305 0.641060559984839 2.10277039563859 4.40239049092327 1.60757209154734 0.116366753489438 0.515537750276555 13.024440389777 2.04557754771947 0.606825063133817 1.24402928175091 0.714388340186603 1.58782982736812 2.08587741682423 0.561734516238503 0.978748253628266 4.5570496123826 0.0674639376991525 0.533204200988105 0.920892114993896 0.710838302504639 3.71819840545794 2.30107007963896 1.32287713916765 4.17573898518724 1.36748729610972 branched-chain, straight-chain, or cyclopropyl 10:1 fatty acid (2)* 1.13341429143304 0.791111982783866 0.807890190726178 2.76747741188418 1.73700259800274 0.644871564094366 2.68335531918895 0.275925622432558 1.00730503561171 0.754315451802616 0.638238194132866 2.73082327402078 6.2485807704811 0.549511161739775 0.26569749791112 0.861800762474846 1.24690697968077 1.0574703996948 0.895985857408069 1.49959565727857 3.25636940536097 0.713118167481173 0.950471374953319 0.691869352971046 1.87886644331545 3.01733703376329 0.640153784567273 0.992694964388287 2.80507994164569 4.26704082921155 0.430078800342135 0.604218457114779 1.66539518462574 0.184385521119584 1.88762306866367 1.70467888405613 0.596352981855903 0.647884401899944 0.435349141931609 0.639720468070393 1.83069027643815 1.13176217947551 0.332268103150194 1.74720559063859 3.35731678465486 0.243156381371818 0.471688292780578 1.23154925476351 0.883473766583559 0.280529218002147 0.381215308740832 1.64294527652915 1.07307867295128 2.31835702196582 0.752869024004077 1.25183715809205 0.498382136162624 2.43251742524887 0.391759631658447 0.870086807767202 0.993084496533149 0.91398569582704 0.960840051684289 0.257373200604197 1.16157163915631 2.56730786729513 0.159304081966915 0.995978088773226 1.16889115361517 0.995352053722543 0.560479717556279 0.633430999654225 1.03925458152105 0.470403465031211 0.419188702251178 1.22322517243262 0.755020109556134 0.95785910571621 2.10183988789605 1.37236346430326 0.274461773644652 0.540304646126408 1.79703725272525 1.17380844055397 0.834508362299587 1.5048790696828 1.87715154051939 0.553316711860088 3.42812062093942 1.03414074869424 2.79300078254381 0.989943402063732 0.814060310469708 2.70427123332545 0.866847440353783 1.54195344774245 1.21942164552585 2.68563213161295 0.481464630839506 0.886836885111649 1.39451491382919 1.1523303426814 0.466829241660449 1.18691149975432 0.584607545178256 2.15288358295874 1.7538626726601 0.762889224553677 0.741309213998435 2.012527980491 2.09849860779996 1.44855411381463 1.04300351234781 2.88702615152232 2.19698993612259 0.352344901636063 0.61149429470964 1.39483521083186 2.69539755045588 0.73175489999818 0.261904675244317 0.976097836175363 3.14923656481465 0.422806602485942 0.72899961782744 2.73976232506506 1.17552639720468 0.890309195799742 2.10893737829624 0.812167646362991 2.01724508180313 1.11400753425904 0.595814300533222 1.06097290214563 1.09822562739995 1.17967933902346 1.50165426122404 4.04146390289177 0.476561902855375 0.591654079237111 2.04812098491328 0.873227902236619 0.842643178219804 2.55729130648419 0.28050373983148 0.329916831971464 0.792749640575807 1.9551547798868 1.10201823509072 0.695808840925222 0.7574878523722 1.16919325192451 0.510786365538954 0.656328595606835 0.371912136708584 1.6785528399061 1.09549946313855 1.75317112231342 0.630289905184808 0.753859032921436 1.90819487160822 1.14050483175308 1.74645944421191 0.611694480336312 1.07528435458334 2.07315146772462 1.28351380370889 1.69285701286648 1.72402045533131 0.73275582813154 0.86948261114852 1.78907714426104 0.865020291543067 0.299288431090648 1.33049191068081 0.465518935740414 0.731645707838177 1.87579755773536 0.578634734026097 0.655265791916141 0.282432801324865 0.498556843618628 0.537807785401008 0.57312052994595 2.94454858141186 0.384796811588928 1.39759413274127 2.21891936158984 0.502313053922728 1.38303517807421 1.66397568654571 0.59051848077308 0.981673915812845 0.423774772971301 0.540421117763745 0.636313672678302 0.503572403501429 0.443196418497152 1.15843418442556 1.22077926804855 0.863975686545706 0.696132777666564 2.26393928915904 1.00333036088009 0.996669639119911 0.698684234471965 0.78349014540756 0.918993976232507 0.492860652605143 3.15350233853209 1.02322881217129 1.69097526797576 2.90474803909079 1.20526670185081 3.75279986896941 1.41304118364301 1.84729476423593 0.826872190576717 1.37351362172196 2.68121712861017 0.707386849624197 0.538561211305028 1.11438970681905 1.47312234981528 1.11822235163515 1.01404211177637 0.33400425849424 0.72772934903274 1.57820888460209 0.480361790023476 3.51887022511784 1.28046734244481 2.65323117800142 2.63705253962766 1.16026861271361 0.438057107499682 citronellic acid 1.08266073048372 0.938970547399989 2.30444843480997 1.32713026897943 1.66345174845888 4.08912604824229 0.874437697847054 1.43495344230734 0.410947999777856 5.60676798904089 2.99439086247432 0.657518650845073 0.322173679631241 1.0595253521909 0.848270978729706 1.88219885595809 0.850029619208056 1.60814250541476 0.940474647809104 0.531637016605269 1.3421805290731 2.40746311482997 0.608387789481479 0.746959403172958 0.492030581832318 0.939146411447824 2.63638968785489 2.24818065712153 0.597402505510212 4.18155573716554 0.608214196004345 2.17343281786759 0.477709732997945 3.43432499460477 0.841231598722126 0.991908921413586 1.45337989152931 1.53667519290164 0.66139525997941 0.661352805697365 2.75318849347442 1.46339202637826 0.412443350067396 3.88364696434194 0.872414268884196 0.755127239021146 0.850734282186537 1.0412407971499 1.85659651096559 0.712842774104303 1.2596539268442 0.484530720979845 1.28627276168643 1.44371446665039 0.69022171748798 0.521897564893139 3.02393360150288 2.98995602443952 0.736150174947021 1.72441510381841 0.522053230593971 1.042585182748 0.476082318852885 0.270879546588268 2.51381002416356 0.978167885458347 0.587531884934744 1.14578446668577 0.990628217238561 0.994045786943186 0.496226875683249 0.66757235801696 0.733319889477352 2.70060886516166 3.01111240832529 2.61509886540931 1.16217181955515 0.585317186554729 0.510951435839197 2.28903582787619 0.935182924887761 0.971120474638873 1.0054093831039 1.51178990790959 0.952829754791143 1.7031313570865 0.880756535306042 0.860930385591017 0.494698521529628 1.72018382704126 0.98889466738839 1.63345680453695 0.837424864765423 2.12271410225114 0.986764877572464 0.821405449007101 0.752735647799276 0.996578892438539 0.776106730065061 0.83757345475258 1.18448154476981 1.39121267118805 0.86695889364141 1.04493431968782 3.5434537266015 1.32944169081254 0.907212628733766 0.717597653693346 1.91529663160651 0.775441612979689 1.09780405226122 0.642418195905285 1.92408466798983 1.19130960846538 3.94200037501283 0.790173248849312 1.12329077291558 0.825594271502209 0.984288377786504 0.97661122845003 1.10683973862314 0.572941763338605 1.12411863141546 0.417261911079506 0.685240415061364 0.422271516360819 1.11042004974227 0.58569219937946 3.60160194157583 1.00342110756146 0.643727202935006 0.947721089518392 0.754759301910089 1.0589937627584 2.07343175651054 1.06788793484683 1.05336149467376 1.29980860194511 1.62355788110678 1.1084388499135 1.30832068549514 4.62708512437336 1.70942874225652 4.00491054528987 2.99686192098551 0.963846640981826 2.83557810349646 0.790371368832189 0.910064141344456 3.76167581202659 0.625705360206894 1.13497985190531 carnitine of C10H14O2 (5)* 1.48176808310451 1 0.820484264290789 0.677278749591966 1.39603294994144 0.833421829026321 1.02775038625376 0.270780851395105 0.281687779210565 1.22478571400055 0.523572458011123 1.14268034158007 1.68784308715562 3.92559175672601 2.68895693520119 0.498788340925332 0.887062195837642 0.192260552612353 0.480208237684793 1.00196021286874 1.40609941592843 1.5469233440992 1.08639708083982 2.75562014188588 0.514941133729634 1.27559954168546 0.500872314688023 2.47360499514937 0.895398090888404 0.320540715337967 0.852105731726305 1.21620229716188 1.86455767457273 0.331232059660735 0.921324002028082 1.29835557702519 0.583840021079275 1.17536120215743 0.399971255534308 0.85502010116455 0.856952368024976 0.625407712299837 1.31368595872774 0.381726504393512 0.50259698262956 2.06982509791084 0.712750965135359 2.19456809444154 0.238107975391543 1.17992837837298 1.49593385579061 2.49808569843063 0.7587181565216 1.60668787901774 3.92579935564489 0.346570425937089 1.15706854357382 1.80076891445727 1.48610484543861 0.407804122435455 0.198256967538715 1.97892072515899 1.11838328349629 0.703840180770751 1.53930606069075 2.80643396957079 0.629942950220175 0.741176047875505 0.271874738006172 1.73785845746019 1.44237333471733 2.97375869819509 1.7334509727207 0.261862082456694 0.397527975950464 0.715034553243134 0.731746266213675 0.612177273507583 1.29617578837686 0.680549178986199 3.15792289297078 3.66713908728337 3.52735315370704 0.28282158869065 0.591688857128029 0.998039787131262 1.95321838208581 1.01586135586048 0.321826231720316 4.96165408430912 0.312955370224726 1.44087223484229 0.469277356147922 0.762199430699888 1.09541166466387 1.54593325694758 2.11904999540887 0.296978238044099 1.39310851435028 2.47736572941078 0.952320117532926 0.766455208537106 0.4598635436337 3-bromo-5-chloro-2,6-dihydroxybenzoic acid* 1.44739158373338 1.09472484866812 0.403896829725308 0.74278979853015 0.705789760730929 1.74744720258763 0.167883891591833 0.521518556717732 0.779689938387269 1.49540604463548 2.44951508998915 0.126742139111934 0.34892596212518 2.56761605710922 0.513610419625356 1 1.15427347196648 0.244448914352364 1.41577388505797 0.424660751988509 0.807649212426224 0.483061898924882 1.60310142611062 1.98062249917652 1.39323339939197 1.10756038425608 1.65090664132319 0.40840303689744 0.813925233140197 1.57694841486265 0.220388359999784 1.22760666130278 1.05158513734617 0.863153319041628 1.58299494030423 0.625922285677642 1.39434919280349 0.664532805191314 0.736855540743353 1.24004276766478 1.09973079062219 1.07800165989841 2.22225743717112 1.04264557716 0.802274776080198 1.24831882874806 1.42061529696273 0.823568584264509 0.510597575759071 1.39223300731416 0.570476006082184 0.431106200201506 1.42751509755295 0.915440138217989 1.54160043310276 1.01990768202463 1.65409739632726 0.728579479660079 0.527458000007399 0.789234831229274 1.63078482611146 1.32878937171735 1.8716304123972 0.394619265427128 1.04235577320312 0.2344859309428 1.51784267468088 0.641968792430074 1.55896277314023 1.47680150155446 1 0.676153327257727 1.01329768539129 1.49915340248344 0.727141558750661 0.996907113515593 0.414794553658744 1.6957033788675 0.583190383934749 0.355768270289668 0.984842636451418 1.51554644077579 1.05691133108807 0.544143308673278 1.1115510924376 1.83202592697187 0.799213953012296 0.539945467527775 0.666193936807939 1.99477859594299 1.06495924863083 1.25423946192654 0.85603895951747 2.02517224837309 1.58978188244318 2.05676827892213 0.833937399878899 0.624021911645556 1.48338930043791 1.12402252824972 0.587613902204113 1.10453537026463 0.761672625118234 1.29360100531143 0.763972558648305 1.48632803588143 0.261171325933261 0.491999560977836 0.459006305394177 0.397268196913773 1.28985451841365 0.621229927992966 0.907118448426611 1.94428118136425 1.67698204325355 1.56792943088669 1.1289380966416 0.979874040101468 1.48862550299485 1.20532055400651 0.557769027479581 2.27238118962675 0.919568919697173 1.14573192764027 1.43347765981455 0.495823740000222 1.03631305240026 1.73261577051473 0.873076965764904 0.745423872200155 0.731687164644411 0.232512797619415 1.01682219479019 1.15201142444194 1.4110086040945 1.10576734538342 0.24659973634006 0.865188132096343 2.01353939422341 0.298440114787031 1.41477605553384 0.131746112002447 1.27809217738962 1.19524154234899 0.974111257588856 0.743144903211644 1.07509745428805 0.738096148320432 0.676492459547684 1.86417320164313 2.19992526757538 1.19490857610067 0.705520950359665 1.35797817961186 1.53128957827975 0.84871000242942 1.03441884440981 0.990387141090132 0.95059644120741 0.82642839437509 1.06861817773738 0.472381682910076 0.146839348718018 0.768270289668304 1.33448679418863 0.980982694387546 0.922304175766716 1.55425931658061 0.851037066542688 0.405917920120164 0.395698322713354 1.69693905361127 0.717627356506962 0.152629261813828 1.84384499557895 0.802485654704135 1.30744130236665 0.275509839152638 0.69936600759903 0.930947732931472 1.11186679376934 1.67763811008357 2.46581854819317 0.472169571077812 0.803673234323147 1.74343100754354 0.800532252713983 1.72716498970888 1.30563835179241 1.1681590542772 2.3288140358839 1.34270982731384 0.501699977678929 0.167140424199 1.61451140902684 1.18736627397203 1.39693769708211 1.48593957525839 0.65505066636412 2.44925532715167 0.864613457015907 1.49105245698261 0.280886627458863 2.11306300584664 0.242141688237536 0.920269382026975 2.63587304366914 0.764585463186882 1.02238643076214 0.479549089707273 0.948245946135927 0.417941701309544 1.72485889013717 0.434752797224788 1.61852180250662 0.274509707199347 1.19047765858134 1.40043877552279 1.20781040161896 0.842455169794289 1.58924667002922 0.694191465458451 0.633196981599299 1.14090268383128 1.3514310766032 2.34623926954604 0.552292349298859 1.69789725648144 1.5397099247373 0.32144931575436 1.39721146933073 1.06593348320925 0.438601640413717 0.276476674481097 1.03805927539145 0.878873044902348 1.89803710230573 2.5040455399171 1.1097777388632 2.57910476474701 0.237018940846696 2.15445317692963 1.54984196435288 0.776582113793065 0.617924929676295 1.56658646701846 0.0571197432953546 0.931338659971168 0.311497324554534 0.223724955080387 1.1628833890538 0.82459831321765 2.06529468129581 0.726446029254168 0.927381294449453 1.592329690847 1.28117149858243 0.383163993276548 2.59261826159555 1.23620872297578 2.08321196508047 2.32741187801597 0.398135142367735 0.689432514524111 0.551912521134108 0.477649948883515 0.642373284761368 0.654775660907173 0.432133462737994 0.520285660376893 0.219492584101725 1.57479470164374 0.661538575373076 0.19494680555881 0.499107773775332 0.577042840424076 1.12719187365041 0.558860416849079 1.12248965029912 0.938968519891034 1.57398078414785 1.45893107968622 branched-chain, straight-chain, or cyclopropyl 12:1 fatty acid* 2.87118296734876 4.34098462748531 0.878066756273534 1.54760697599065 1 4.55262246679045 0.84876743378435 4.87249269690553 0.72716427627964 0.341073088570777 8.26578006754383 0.622227692768079 0.51998740314143 0.655067986135368 13.8161192273455 0.732638248248092 7.82635847161486 1.24260124118485 1.46739299115238 0.562559426893484 2.16059882594447 0.994238403130815 0.307886027748473 2.71676378008877 0.281161175592222 3.37710859634499 0.811375185705093 0.424791648869139 0.968668600004752 1.61849008553429 0.405486407069608 0.633656359517983 1.118175416816 1.92945455905687 1.13929992402457 2.33912566590308 0.415614407261055 1.06082362321505 0.842749273419442 1.56432535936561 0.165337098263436 0.428634503642714 0.546054982576526 1.25749715461345 0.36617181383839 0.0933839340490005 11.7019547960514 1.94937277558937 1.99234379292609 1.43615592924851 2.5565266247622 0.139863917193571 0.132004246907256 0.571969689145393 0.778053652319584 0.386363730255289 0.0618435212975376 0.281737679114759 1.19533914322364 0.3350001136089 0.247863119865652 1.22632700359624 1.35407556437803 0.321868990347375 1.25271215429328 1.00561434529256 0.574958636032199 1.1574247547597 0.987102291388239 1.20885188910945 0.254008328565202 0.463659094805595 0.729909815189303 1.93082560620676 0.356686503469203 0.642566776213188 0.766248654767339 0.597119084849324 1.50759268937055 0.696960652073776 0.186936215832123 0.467053418904934 0.53282057849652 0.20637418227412 0.260794911147512 0.415221423746739 0.53872669210129 0.403351875682944 1.55973504338827 6.09840389823121 2.7502855714631 0.353180636085905 5.1733227711483 0.448695769824237 0.879354061105063 0.13445458432569 0.776254500461665 1.2000910936819 1.45802460975343 7.07074477863822 1 2.98141978075548 0.731862339062665 0.312013934648029 2.16460845208906 0.237058397040385 0.414173123439169 2.97608894130964 1.28399384859445 1.94081441056604 1.57413342229255 1.09317014275475 1.02754654350085 4.46599737253598 1.83216092390889 1.08238401047681 0.991156579917664 0.570466436832419 0.582878725597325 1.19164788677117 8.46672808432672 3.91514551234516 1.82888227432625 0.481917594300551 1.74757238436163 0.263963050254381 0.429140063249173 3.91310726539246 0.341555347157815 1.42639950673081 0.548075671790084 0.938177134866158 2.57586389240618 0.670481515831917 1.53390605989874 1.28500651701965 0.342245779429353 1.07002026369659 4.17945042210871 0.934117165891716 0.522077307758249 3.86176998535478 2.17383297839159 0.949326815625149 0.994290119950343 1.26047525701432 2.83595649398802 3.46057874439443 3.38991917243146 0.96967416967386 2.07522096931114 1.52784657427853 0.202976243346133 5.89320969930823 23.7777918354447 1.11824620907756 1.79565270378855 0.30937510973587 0.836346379077785 1.12405988634979 0.785631882375542 5.87561271345563 0.53094138400428 5.6177406494711 0.373074070937397 1.0814875329724 2.10132467977782 1.34822573881934 0.576182513731185 2.47821497695805 2.06673025322391 0.955300578166022 0.359151816606316 0.351310736867328 2.03076632301696 1.1331831974502 4.34638630744221 1.59205677553154 1.23432093894658 2.34073219903453 0.76532532425013 0.91871283181545 0.162435423668246 3.52371947277208 2.07725663424338 0.642783149527903 1.77939372093936 1.00308396523981 0.752120871607483 0.991053299099185 0.291113511816358 0.900737321763127 3.6504331597527 0.606204182046902 0.899346645542297 1.34910259296823 2.23881210533817 1.16534329511255 0.949231797272147 0.289072682843197 3.43475905617857 0.933638459298062 2.06731430625241 1.76602969943216 24.3277002253588 1.25022928341703 2.04735941931393 0.984830113381683 1.41981845297728 0.832120644389683 8.88690079051139 0.420789809075079 0.259116081443122 2.7631739848012 2.54942193725897 25.3346443111892 1.04266530611402 0.824148398011225 0.519315578672098 0.532288682281349 0.854267150296313 0.666209304775498 0.726155041033469 0.945032399192757 1.6156208106718 0.933186089313121 4.95734089073509 11.6230766529579 0.327434793655253 0.961474705494746 1.05541325753898 0.193872039197136 0.30917061371528 1.16420100926016 1.5276245205188 0.0872511190476682 2.55042479400641 1.73075000464764 1.55070933266132 1.19796041039666 0.674745980826949 1.19582198105004 2.52935808905698 1.24693669092389 4.67783511010768 0.686333055852201 0.770113939398947 2.99592040767005 1.71947070646146 1.32019170985526 0.0719087534624894 0.705349120150707 0.744996044344652 2.197951115123 0.823820997816643 3.21171741541817 0.333210773428737 0.452188727105225 1.80774792044072 1.14839439639591 0.558827204993834 0.462763650109374 4.40087933288854 5.08498926912296 0.301225220349626 2.48228888884299 12.2842375913261 0.650956277098305 0.192400287533799 0.274648483734304 1.61169665597366 2.21661963946732 0.735604719520281 0.524126915600981 1.49759820456625 5.06252155987086 0.584185227951095 0.330980940557758 0.439163983086733 0.0477250334113448 0.694939962860218 0.840673328967997 0.431096201951181 1.22919821034998 0.254342442012984 1.19757930417647 deoxycholic acid 12-sulfate* 2.57621060255196 0.52400626965112 0.946487485418251 3.33286943438179 4.27390571738198 1.57740253111107 0.382068557272034 0.293639350746358 0.215208580816631 3.01913833720621 1 2.61728269685863 0.247203577923666 0.252185966497317 0.494889613590843 0.481987306027059 0.908497783608397 0.511123212396116 1.30504107904958 6.34603349443169 0.616920071700114 1.69243621557064 0.663457075848242 0.133175329055254 0.58969630587648 0.379129821347904 2.43045645909525 0.593730984308896 1.05657006953426 1.38005185675654 4.29775761813708 0.181799804866779 0.728682314453266 21.1417026095459 0.0747735650179354 0.549432030313719 0.73517781669441 5.89945482335906 1.16463798249577 1.28868990525932 2.22197125807297 0.0649323325020576 3.40100908215191 1.28779468519814 1.05303044367024 2.22509627741096 0.808055742919201 0.746803301175544 0.322237967644189 0.0597672840384738 0.326146820215472 1.06685272392362 11.4879568149143 4.41915894694068 0.127795757812033 2.50693589275511 1.48501950300848 22.9699049292797 0.447166545997603 0.0688494359494799 5.21075212924172 9.1647225539762 1.18866453381518 6.81249265156344 6.71173088942382 0.228503889256741 0.164019166785273 0.537889054593985 0.830194906321615 0.245011829693666 1.08643411572266 0.829221302937106 2.2070412976978 0.331693471700526 25.0985525900532 2.35720311800609 0.685969591395986 0.434670594083709 3.08539450532904 12.4444396314334 1.42100920591505 6.45041945391576 24.3462645189636 2.25884442354223 0.323972714352605 0.26476442717261 0.756046345171278 1.35521259413734 0.0689752618106135 1.18538481054957 2.07747160151569 1.21454134410898 2.27993572567487 0.897942850306417 0.400553221245181 1.22963219656887 0.682826007586681 0.10322464866738 8.76302658638564 0.0512833206476113 0.767713084033111 1.11878373834822 0.270783441316675 0.198307745303704 1.14256482610247 1.55479922524273 0.0786989193414976 0.0583192552759196 0.917227210564422 4.84594376615367 5.20708048935946 11.3939009523574 0.534516508971796 1.14607144846193 2.39666705858328 0.367133047440475 0.25750365616949 1.19668025998511 0.310313388902984 2.6167303015489 0.677753781479671 1.76637850481748 0.806688160199011 3.20766423884636 0.761964286082629 1.41876290488596 0.57638970538184 0.396613427888374 7.62838466409652 15.5009354430824 2.04904939593273 0.43364336000429 2.59816995567217 1.33538986421121 0.552876771102131 0.642982526707055 1.03558190335336 1.05831100439978 0.229749771553867 0.517383564667273 1.33385726396822 7.7831339715386 3.68155537266113 0.470178239551813 0.587105530768548 5.77729853938865 0.558576063795774 0.192488814906033 0.377382698325278 1.18409561115271 3.95631986171532 5.68386149254224 0.153629251006091 0.284731547431193 0.44696646225121 2.65191203740947 0.949626338446814 2.01828394152604 0.704480432015875 0.47732968644608 3.5230581047325 2.15401497946563 3.53986513942949 0.967031561663954 0.136857282532689 0.908440027475418 0.469623368131403 1.03296843833605 0.123610500890063 5.25323795320516 2.92510267183997 0.433746495956039 0.581298976685087 10.9637765910268 0.504454441756034 2.03999612208821 10.0565226269965 0.37678657252417 2.00212253788699 GlcNAc sulfate conjugate of C21H34O2 steroid** 0.706328028126875 0.345285756532356 2.16748495858964 0.354122963421573 8.21477698590716 1.86122126394541 5.08609272668473 0.214782174091246 0.29792282403236 2.56631277486567 0.691780359956212 0.253385722463281 4.39499028944879 0.0873223263125673 2.85325567198225 7.99775178689707 8.40795037328985 0.448080977177178 5.29047777987227 1.69837973011066 0.400192308690035 0.668750010808717 2.21655999183726 0.822845995673055 0.0602901578418538 5.44231171647612 1 0.48843467298011 2.14742052134332 13.3755501636872 0.838711462600975 2.58523098861653 0.672706709610798 0.668689302485679 3.23129594571337 0.835873921274556 1.00740417475967 0.123668035305977 0.347097583163278 0.240206033486588 0.0872335455953581 3.31770216113884 8.46328522607135 5.64818306984978 0.316578565633221 0.749112433309567 0.169669067932043 0.152209082192118 2.769103582229 4.26395397438104 0.227347380326015 0.044238192412657 1.24303960858555 2.85522459616945 5.75927642416345 1.06373761463379 0.647815504142797 5.5915927027758 0.222597300420426 0.624556831313156 4.33356526442603 6.58992943721879 3.10917930814054 0.239355346298527 3.28416394168121 1.40035773117301 2.34737909669806 0.39702751210877 0.111580163744991 1.03060015243528 0.877953433481671 2.1129963366361 0.553038870995501 0.290904285398176 0.0680021144248027 0.596403019201928 7.44559044083299 3.48956433014531 0.534580680058024 5.00943500602365 0.364328915988494 2.33222530917316 0.0514432178595137 1.09919848548177 1.85682762520591 1.19037076193052 1.77770511149903 4.41771076635606 7.22702161138839 1.33264327686672 3.51598234701153 0.576019718240602 0.0943107221006565 0.630741523861038 0.0847109876330736 1.41050819954269 1.29075922602218 0.0904678779534335 5.09540604332112 0.596045288028914 0.0516263860546308 0.13194502495513 0.0916812135814914 0.311436333685738 1.32049762741868 1.30801145723207 0.232177365820077 2.70675878346815 0.909732500676124 0.891582868241831 0.624086002999533 2.57117006367861 2.81733336611511 3.56255747055786 0.0610023848744868 0.100067612421016 0.382640818233226 7.1322425196076 5.49103828092346 2.86780173579525 0.582171219236348 4.67592997811816 7.61439038182578 0.985923093944386 0.71946745998574 10.6804317360411 3.02461829715044 1.45494062400118 1.42980355518403 0.267622255550365 0.925961940353552 1.94021340938706 1.88341159983281 0.342989206598972 1.22805669608831 0.454807857792639 0.114012981584835 0.323074275317778 0.645210581958548 12.2866778944263 5.73900007375901 0.268310672927987 0.38765274260566 3.02992034027488 0.631136134536425 0.785239593833747 0.68940943623534 0.871054507904507 0.643173604110835 1.69645833845549 0.592448307230841 3.29925995131906 0.730799301748088 4.67633073537728 0.273150492956015 0.219412140732181 5.41269884198363 13.0930494431195 0.651217023578295 12.5172337914587 0.561925601750547 0.498577680525164 1.34346372286283 0.0413566739606127 0.58528507855334 6.49558798219949 9.38531581147198 0.829458117178472 0.365420549258722 3.41430310033683 1.8840373220564 0.168347552430359 0.139431563936764 0.189201681705308 0.675654611167113 1.1322880043272 2.34826666338849 5.28869520320606 6.09281956088806 6.86712192363484 0.992595825240331 7.27952450028274 5.6524156074054 0.0608401150640474 6.10499594325474 7.74897720846753 19.1423388980405 0.322227276079955 0.357787721584343 0.871026233619354 1.31530745211811 3.73546210016473 1.30601750547046 0.700722838246503 0.0389226268040223 0.695358099968038 0.0660253730976323 6.47646596021931 3.66906670272662 11.8786504560765 9.86886878273056 7.0467595210582 1.16656750178251 0.56865119366656 4.26897327465395 0.622124013473312 0.577633811127775 0.329818306984978 0.848020800039338 2.87237602340619 3.38452536080447 0.111345364246552 4.76735426449979 2.15882157696752 0.626708135618223 3.28152828657832 10.4886743048214 0.241952892582303 2.13902466009392 17.0193199419763 3.2315762299314 0.111708012686549 6.40818602020997 0.679327809603422 0.860455338922627 0.0781747104959064 7.22682615002582 0.56602906104787 0.182661716617904 4.6696518574976 0.444632803088044 0.551679246674698 0.13177414992747 1.13680820200133 12.5071964202296 2.19436112408723 2.80066506035945 18.1904900056549 1.11921422073612 0.214563715486932 0.65004917266983 10.2718338947213 1.86178177169129 12.0799793474787 0.235647726993337 1.80949032527721 0.102954048140044 0.879673247608979 0.86072947655693 1.85855604455044 4.85903424876454 0.387317139134069 0.627825584540113 0.375851301846434 0.379287242150813 cis-3,4-methyleneheptanoate 1.21197876260667 1.48238944918542 1.05280983320403 1.01658989526765 1.01599835143522 1.34092562063615 1.21654140806827 0.414160686578743 0.604014740108611 0.724207234290148 0.463498836307215 0.813375193948798 0.705115399534523 2.71451949185415 1.54618163304888 1.41767600853375 1.49635618696664 0.97373205973623 1.89483368890613 0.683628297129558 1 0.681111811481769 0.768078452288596 2.11339701318852 0.754424456943367 1.14075106671839 0.957498545384018 0.489878297129558 0.474236326609775 1.42873351435221 0.87671644685803 1.20560027152832 0.757954325058185 0.866012897595035 1.72972507757952 2.39833338315107 0.832309222971386 1.39450097571599 0.712531011542058 1.7458782938421 1.26086845128039 0.351131787844757 0.724675152762536 0.632500950095437 0.505924752441425 4.21043439644387 0.890662163143129 1.81800441527497 2.30000597812859 2.43503482259903 0.49262982146746 0.592167797529325 0.623777152446549 1.87227087754658 1.87283452967073 0.404068116505186 1.048119665054 0.53470090141639 1.39531442821335 0.750086469359956 0.626294371591933 1.32379679486906 0.713760797994765 1.29511031782294 1.67976873182542 0.629859898286412 2.09791107106714 1.51794719604419 1.0280139375798 0.98136318412209 0.782142048875471 0.471443760755294 2.25157032627772 1.81461823243818 1.1277099070401 0.914621648511659 0.461268131877517 0.485861725885724 0.846052513589567 0.531763078223813 0.944409809254997 0.90243694141861 0.93870923663568 0.754123841203824 1.68130596489131 0.706136548997169 0.953240359200126 1.07674209072237 0.628416607241222 1.37750387510835 1.26649643233826 0.32823769039272 2.22306532813521 1.70479574015637 0.441305452480283 2.23584144294944 1.47275681399907 1.31773753453437 1.27609346377041 0.851466990054956 0.636265036060926 1.80439349750413 1.34495937007605 2.68041565074065 1.98131834815767 0.859507573007895 0.570710585984705 1.01848736266317 0.720170205861128 2.90563310516809 1.17254800650762 0.658089475504618 0.420452458932392 0.852950846972718 0.873564715377028 0.231985550009181 1.91602864377613 0.546966740254583 2.66866435797034 1.61367625017614 0.788173553613138 0.74608539329681 0.888608248963435 1.2518265317887 2.24662555991579 1.13013104911887 1.48459777869822 0.443367906843676 1.20396734233753 1.5753777963764 0.560327857652218 1.51994559902984 1.17827206463211 0.479505694167482 0.932566709509922 3.24538296318754 1.16455866465688 0.258156942955843 0.630888990422184 1.54530353947913 1.00135575416227 0.916912552789011 0.642439588875557 1.27046548271253 3.27200058073249 3.81687924607258 0.335272666715061 0.899678462083719 1.73426577905691 0.225443769295477 1.22328737291139 3.74376246333059 1.88549962209687 0.561967572922494 0.522315500006405 1.46694094889981 1.76251243664251 0.810044964067177 1.20393318160274 1.93876901792158 0.3992813435417 0.83022328310282 1.59470850217988 0.779240521463617 1.25599200638806 0.239942866171051 0.998644245837728 0.462094394650429 1.52689517351518 0.989768859928177 0.471774692873644 2.75741181192807 1.47426842651385 1.58107409890387 2.4184241653038 0.332802418580024 1.45164334484835 1.31833748243925 0.627564723917211 1.37382732602578 0.776330453868063 1.11970988995973 0.85325188844812 1.46209012455858 0.566380712849133 3.86260552464484 0.74561781823927 0.450317481329023 0.686756737137416 1.43253254877512 1.07781388377664 1.7196086887829 1.63785778032086 1.30308898444406 0.661689162933895 1.877826267043 2.30278794296865 0.473734665032645 2.81029049434853 1.96297616861739 0.795501031227182 1.1034173545073 0.244114745908185 0.186107683176265 0.757275168988885 0.380567666010496 3.91934010000555 0.913393997104878 0.412452441852024 0.658996870022674 0.236911100957782 1.72822359908962 1.10577871530017 0.423616596993001 0.936369226302058 0.406280024083318 1.61253186556043 0.403120156114558 2.08289315803183 1.29460431193875 0.880208978295123 1.73908244266334 0.486335706081038 1.17614982898282 1.19800202402354 0.858743226566804 0.50203469876637 0.697039118311435 0.764297335035677 1.49224124310914 0.952243292753227 0.574483212133893 0.40677535473788 1.27505583145094 1.74456097050648 0.849667146340318 0.772156439085005 2.70205007109703 0.737434187209367 0.818339617485172 0.936424737496104 1.10462365545483 5.53490586582517 0.921643814558451 1.0099108831831 0.40671343840606 1.16914047321158 1.60760204451998 1.8015368060567 3.28591681007059 0.928343588670592 0.65371690145055 1.24691165606972 3.46223317263554 0.336562234453663 1.66013271445469 1.25733708532071 0.961699411154334 1.10106880398997 1.9683586193939 1.91881914879989 0.910637652815912 1.36917079086371 0.699929970493665 2.5556499720309 0.432940342546768 2.38745532416402 1.03574707391956 0.812594208901434 2.14733738422713 0.977528641641082 0.665750020282936 1.71051339314309 0.619899909047044 0.500612758180429 ampicillin 1.54923618679553 0.39950885770777 1.32735758477776 350.344985370266 0.520147839487965 0.487357984978001 0.366711758193496 1 0.217444314379367 74.5294914800474 1.23339643387088 0.883273626400529 574.398259460687 0.345506920390839 0.641639706433289 0.272065538404701 0.684620537651719 0.175800257126812 4.19701507374406 554.046349593056 1.95305618139236 0.806154129199917 0.619675616648108 1.60011587769191 0.0551220239574532 1.14948518998526 0.953543579878825 0.716406040773814 1.03365646047807 0.319769016144982 364.469021263779 0.962224020807538 5.3712552106014 0.524567628580098 0.945743720386091 0.519722576045663 2.42341946018207 496.207640657491 0.82280060505663 0.815632063846976 0.781771593347938 1.01208110251467 1.75956565895608 0.334474800311282 263.379908944764 0.511542886986609 0.642246543513854 1.39460211740146 0.977325213487214 1.40793472866296 0.821997918355932 0.689271966129885 316.870383902348 0.340351030769904 2.04095705181039 1.76182979926156 0.453858497165744 1.56351277065639 0.542490094386164 0.540509342546179 0.719488446727049 0.676659695706071 22.4351266679674 0.371964423619761 1.16739281869889 49.7687624307015 316.111637992749 1.6764556856851 3.02148114242644 0.843105166053029 0.765363252824797 2.55605490614426 0.47336185517069 0.349481777453999 0.68251737979915 2.84151833901718 81.7186093490003 26.1810941317074 0.353135411465957 0.461169474462767 0.230537258535594 0.590502925503701 398.904972874086 1.67601428218518 1.38808789196816 1.05421918688282 3.60255212826963 0.396659280267483 559.54991605915 714.61275930601 3.5731939734698 0.759878721606442 0.409229264977859 0.863275451362898 1.28199748808025 2.83228002341293 1.03969664080809 0.338650699976928 434.393513074817 2.17829066309192 0.361765406280393 1.27092975897885 1.14280627282594 1.27574142805531 1.64863316995222 1.64688239304497 1.37013352641336 0.464998928020072 0.255459864552183 64.6584056208841 0.657204558251538 2.76700794452114 0.247618461200632 2.35706649910644 3.39576608730294 2.85633836879522 0.423129395024974 0.443891680322974 0.987918897485335 chlorothiazide 0.0277492517346387 1.97225074826536 79.4772015522348 0.406172345712632 0.353495081185962 1 1.80349848520952 acetazolamide 9.51936686374469 0.345320303914845 0.492035773850906 17.8170507701151 1 0.151689720742531 9.99076215960369 bumetanide 1 1.42162964435271 0.578370355647286 torasemide 1 metolazone 0.890672371477695 1 4.24940611342249 0.301339762207386 1.04013803017158 2.52616756721823 1.54176254815291 0.295672064753541 0.959861969828422 0.601954905182594 2.16001159390772 2-methoxyhydroquinone sulfate (1) 0.803381975324106 1.65254587586898 1.15901546940565 4.1775286528465 0.449902924782364 0.650654474854387 1 0.603124751773483 0.431550583217749 0.856551041482088 0.646262701559932 4.7844874466122 0.461404977361742 2.70170657639878 0.571131790713731 0.763517270455393 1.26721699121966 1.80960644258559 2.3344596452423 0.319428574920109 0.72615956153268 0.657737640610775 1.05587769841318 0.401402899896738 1.42599641942796 1.92802194780675 0.919791520276669 1.00450321090547 0.546752127874081 0.641289005932996 0.747496349160765 0.794752567807847 3.89524688227495 3.83238523533401 0.440874734970457 1.71164785746146 1.20640836851785 0.335327292390979 0.607805158223401 2.33129456620698 0.513158296723104 1.49802335315072 36.6476558251508 0.459486377328747 0.86162250016803 2.06542792723984 5.50661428196088 9.91333304819108 7.47672322666976 1.20989117749494 0.443905389799647 2.19123676379834 1.05481452514649 0.635728731952023 2.6089172130196 1.76870482277391 0.49750398689975 0.490513928180813 7.85246332357739 1.38727002767917 0.572708220040205 0.995496789094531 2.34751101361962 0.254904955976073 0.652763944983839 23.9047054582338 1.41384935934645 0.989362157141897 2.99157404635191 0.891635759282908 1.26896450589939 0.17230739149828 1.8956257141286 2.44477303694833 0.660022852115043 0.771558282058646 0.427701162769383 1.66998857394248 4.2069888366807 2-methoxyhydroquinone sulfate (2) 0.896459722934838 3.96365087509264 0.535773331052962 1.10354027706516 0.468306486080203 0.590762383387617 4.74262007575199 0.558162498342004 0.888052112655299 0.873741765286723 0.456914211604498 2.78073187626192 1.52066968299117 1.9460893401913 1.01992542702607 0.409665011126995 0.371111078360574 0.435529748131991 0.472757284128926 0.369372024818357 1.84124504443429 1.96212400336021 1.70328504266576 1.31257276760055 1 1.7404241522114 11.4250806891368 7.57993014310347 0.672733703741913 0.595375296597055 4.51669049268271 0.472580431226328 9.49854833242451 4.79663389975388 0.661429855717507 3.41696019335917 0.489263555038097 0.918397123192784 1.18705141998143 1.05853831076003 1.89648210101248 0.973928934608639 0.406069002107497 1.34013234492211 0.370226813847582 14.2170722001975 2.95752582789265 0.42484488526668 0.337921683639633 0.29538856056475 0.337184796545473 1.46714220447143 2.05815512947106 0.777194818209954 1.31756886209895 3.91254623966516 0.536645395192549 2,4-di-tert-butylphenol 0.497705487400297 0.823482033151729 1.1461691643549 0.660994868384123 0.877850560360289 0.843396189933985 0.474415235309899 0.489432892419921 0.861587812599793 0.79970720910872 1.55809314083392 1.12214943963971 1.12756246560041 1.43853204368276 0.872778022848176 0.593572485803062 0.735833987179321 1.52581414232574 1.23225331944242 1.58103398698666 1.27208485321132 0.799415821896275 0.833839971942937 0.598756932298437 0.870187161994652 1.31299435727989 2.90434846629853 2.7356138022639 2.21355360632272 1.2220575193183 0.581729730034716 0.648145124428216 1.55501269882096 2.03560935040014 2.37955439940126 2.5196332902803 1.10461371919463 1.1034857115238 1.3849348395986 1.9393255150907 0.511051492562069 1.30510534567467 0.739534893933898 0.74024883872222 1.40059454620107 1.11788417317563 1.39213485463452 0.732869056612878 0.755325485186155 1.00143614992203 0.837545355765887 2.15851001562957 0.881923041864868 1.41899788992614 1.0303015347591 1.00516621866927 1.37603776797207 0.751384124123296 1.54762226350246 0.596492165911965 0.792299941296653 0.963939383808034 2.16169346386317 1.10506265328201 1.46690504385315 1.05317660077325 1.72010687527629 0.932226924548724 0.838105621533612 0.971946743043842 1.11698690622853 1.15140413193455 1.14321007843695 1.33358427182141 2.2659661039864 1.2601509515382 2.38488198384428 1.19968809876885 0.552790338135409 0.841982232990413 1.39041110876342 1.45978384192271 1.67252284201156 0.997414982421018 2.47093899397724 1.2064649540862 1.50022502906086 0.55420128877595 0.978536851818736 1.68739465282226 1.50288567062464 1.813886236589 1.89689737506352 1.44248435220032 0.793910577944737 0.703528937179263 0.894334289224335 2.27036771790105 1.26139355843106 0.967109500471559 1.25587687631066 0.893457908403696 0.466115292097707 0.543658735436796 1.42636345169406 0.340491881086891 1.10985637219903 1.28236581728968 1.48541250452653 0.651094199070507 1.43827531412251 1.45780867832409 1.70230141325883 1.2779796261718 0.728763116010356 0.970003183108409 0.998821463064532 1.3687900206872 2.17909079685382 1.086724843373 1.45351288047942 1.36703921957093 1.08377767761383 0.942973790734449 1.29456101479284 1.62878036601643 1.54860129741272 1.47982864174906 1.75350256288979 1.36588499314561 0.455981155329025 0.999142727763144 1.30680718594631 1.04397172671986 0.854207988543424 0.772414885048276 0.638019013380688 0.528821508287309 0.646346826964768 0.457096537218777 0.628805199333244 0.84537966599398 0.267342915351405 0.519781030791248 0.561216021128081 1.13750678047575 0.469393237636884 1.10638284468467 0.56670771308966 0.298260656191904 1.2911674244183 0.510618033552111 0.598306409617614 0.785519792297275 1.60114833439415 0.618794837043644 0.725180609445668 0.935599681077475 1.14081998932481 0.749316240761777 1.07402262796144 2.27850269424496 1.3323268694998 1.50844684359263 0.897480539763381 1.06110648006059 0.743940533459901 0.995653045522685 0.467536332906976 1.2760367197447 1.3965907358815 0.816450472602852 0.833806895971589 1.50452812005858 1.12431665573957 0.43969219861875 0.433019224986687 0.741142733566298 0.529803522195587 1.80488439450584 0.602954056351083 0.775604110295582 0.787465260477052 1.25311133358859 0.991732622866952 0.869271695542281 0.498758791614986 0.622687263402208 0.951702492472956 1.25862882605932 1.39298248108832 1.98805080917533 1.57599187077453 0.873403593495961 0.468883840958133 1.17091151264464 0.707453960533691 1.14402069017852 0.771784040380123 1.10566544937233 0.991375127666121 1.22048038143138 0.849427601196485 1.04784614238864 0.419863893034383 1.34709981756923 0.637928358704139 1.39111684548702 1.10448767050653 1.21370637541037 0.883659387376713 0.719248531285758 1.16314963728065 1.05359939452714 1.52873642150179 1.59535061754839 0.398351888569823 0.983357364577584 1.18469000400705 1.2560376132213 1.12753701412407 1.32301016709973 0.762044779489165 0.888440088407653 0.737335576975584 0.644085452854745 0.736937067591505 1.4616870934639 0.721018258003471 1.03425285528902 1.72403746652175 0.416243692108801 0.803881050085428 1.47319961001759 1.5159737696392 0.855106954612199 0.913109897438663 0.789589659239579 1.45373076015907 0.397370763432884 0.69114526787163 0.441262918977592 0.442224308162745 0.597234499102459 0.477510412413689 0.679920294986344 0.660775637543782 0.814378302226641 0.396471692802774 0.910985028150133 0.661232283029547 0.434826698345962 0.328932207371579 1.5141404434901 1.13636975438987 1.34971549775939 1.73532452269908 0.695682863801099 1.02526756003696 0.735378868452405 1.09375261975155 1.33580617402786 1.60215063320122 1.78213367805811 1.10948946647815 1.00085727223686 1.03540329136599 1.35357420308775 0.551062357530281 1.31807685880187 2.15699319663839 1.06634991727499 0.944053909314321 0.59342109497204 0.988882359324031 0.73537748301473 0.87717245449811 1.17817894360064 0.402685145512388 0.614903691561422 0.753676526809173 1.13171766379971 0.870093364644922 0.900147089042524 0.464736284944692 1.16807439768947 0.916009304808548 0.735905204067258 1.07922094696024 0.478983603188274 6-sulfatoxymelatonin 0.20229682423754 2.16265645855894 0.225934973682222 3.28743042788425 1.09282494270532 0.388677059460548 10.8076258594203 0.546321807238019 0.605626212002921 0.907175057294683 4.3474802931473 1.13824262724457 cis-3,4-methyleneheptanoylglycine 1.16913674347539 0.348403796075203 2.25749264383975 0.561980991716798 1.00246804190962 1.66178930422149 2.85964952060684 0.330061796978698 0.169818725374087 0.506588712589107 1.20669632968156 1.80613225565077 0.267500859018121 1.26898168416389 0.739188145026678 1.59931906462084 2.53837151094747 4.19302704032065 2.62979545775637 0.997531958090381 1.99938604187125 1.88490378124951 0.317353561393197 0.823610876128715 3.42103050778872 6.88183224640651 4.09537979066121 0.557264677000466 0.278883503189268 2.63580247990246 0.194949147871467 0.794224607511568 0.717204257939159 0.687762174946671 0.784687326125139 0.569086859377426 2.90329960612279 1.0592278119767 0.7036250854973 0.476968796433878 0.767555838581099 1.55174414490908 0.303530743649614 0.28163871789429 0.224231703577915 0.744409066251563 2.85753437581075 0.356456520200948 1.05881270784688 0.871685652963513 4.38282978372131 2.45015212622939 1 0.691341776928701 3.71465364749169 2.36272553597962 0.26810066275148 0.326375622066558 4.80841529281351 0.886676572560674 2.41486355810279 0.741508054435246 1.34585249652114 1.91084223684521 0.231826222316564 6.28830868652563 0.245024646807708 7.03017523998208 0.497492865397769 7.65807212434256 0.400943418476851 1.02646760536805 0.319422627892167 2.02781669378995 0.81230689403052 5.59231585650605 2.71356871624331 0.10159673577207 0.982046746385528 1.10403547253473 0.26269015778674 1.12361140592938 0.349829005401071 0.453600320762282 0.906535531498384 1.51906412887096 0.398476379159886 0.559767919054695 0.7580886341659 1.00695771126677 1.4124342555249 0.532168211514423 0.205962404773698 0.552220571239888 0.661223142055237 0.363329323804807 0.589542206184108 1.00389160121701 1.42402415151301 0.693006910540343 1.13106912898889 0.988999740559919 0.629453524847284 6.34317318804689 1.77151819618387 2.09905422297696 0.125885044458596 0.668199721691549 1.51818203259511 2.31544611901224 1.06381282577419 0.665996839548103 1.64199627349702 0.519672633788533 0.289676643317059 0.516441425505319 0.224910964881247 0.492412556899927 1.76032925304842 0.668525201066063 1.19876883888771 3.23554800820774 0.480775489987971 0.562088728507748 0.934135239038657 0.905285502016557 3.80738224958136 0.649614377697587 0.35660275006486 0.741286351093186 0.697007004882191 0.39899054222977 0.596971626689309 4.4687846411472 2.49617679662256 0.279176395669709 1.35815939055166 1.99868393122479 0.700606146371377 0.489638906577985 0.24684544446803 1.03201962310432 0.770522889690795 2.16576334347508 1.10849312483785 0.482228354442322 1.26916672563032 2.55522535908866 0.467350645062384 0.550003537819288 0.886487888865304 0.268926153918725 0.560777376824925 1.31647444515201 1.70328545484563 0.289214368263403 0.970169107761975 0.904276044246327 1.22413736173023 0.779273096063586 3.1294181466544 0.805580320290573 1.17785796834831 0.582919408476615 0.310243166112408 3.56405575603198 0.494332413500318 0.334847519988679 1.21726927521876 1.11010165334088 0.487294511663011 0.843708578032501 2.03618009858723 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1.13458263107194 0.768400974854726 0.487606412022616 5.25948774254838 0.435624518158667 1.57361055826266 1.44414931791244 0.494568603107756 0.512516406651149 5.11600593672915 1.50225438854797 1.00409888826904 0.330595315429429 1.34737116247135 2.16171963900188 1.87542043199619 1.5652559289605 0.43163217138976 5.09122763923272 0.578637245428704 1.73360951589497 0.184585043970083 0.434972650484353 7.9780583704402 3.14818848219491 1.43717549582625 0.229631742802922 0.314768738449326 0.513280329434529 0.451456780323233 0.163037842799201 3.01621373553453 1.70582340027039 2.31683018493482 0.563290872331717 1.79123575158454 0.172228768465574 0.468250995373529 0.349091450330551 4.033930764174 0.334492638577081 0.213021098197785 0.233022834674969 1.02423874080597 1.06390484105032 4.62214504545849 0.110702901157238 0.902447192488496 0.77739106706523 3.16719546531387 1.25212656437989 0.575696761470052 1.22996167346787 0.811636877814023 0.368190218672091 1.18847723354378 0.691264279423986 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1.50024682782829 0.552214628579934 2.50606650707614 1.04466963521576 4.02456371010754 3.40047629088474 25.1639408109349 1.13174900462647 0.457345918658447 0.565297743820002 1.76818277662702 1.67752378353572 10.5377497736378 0.755402304553291 1.02087245575084 1.31780509283951 11.9768229909579 13.3097676841596 1.20610495764236 0.333153070463764 0.877312925591953 0.921414484700396 0.30934348759039 0.326551976483138 0.608692308646416 1.55059722411719 0.401215534028751 4.28048075611178 15.3875444972278 1.07312553489699 1.91617528496831 0.378023640896518 0.722007367624623 0.850553812187589 1.46067499348821 0.701457400493656 16.9601676940823 1.3991416841348 1.31727174627588 0.915406273643997 1.50361063220173 2.65921387197202 1.33600833509048 10.0554804460266 0.538191334978852 0.823844312417052 4.97357329794227 12.7854433598353 1.53006958312144 0.308157721741935 1.1483918980936 2.90791709561788 8.67488681889783 0.722099152847202 3.97308212296739 1.93290748297632 0.767183061905412 1.55563052726889 5.82308274313782 13.0905027101448 0.594743435496074 2.62067648189723 18.3746697592498 1.23062649616115 0.425672574823562 4.32658670602682 1.2671446113392 0.712781712414572 4.17303499001526 0.616362576436005 0.930662466045669 0.985110948488645 0.500817384617293 3.36448159954355 1.11372685213897 2.45159817917964 2.74480731304963 0.664105776267318 1.47728811877504 0.96988700494896 0.560194981580938 bilirubin degradation product, C16H18N2O5 (2)** 0.997117176167847 1.46994074532629 0.785847661473538 0.487288264175907 0.560732500247822 0.854404246753536 0.424723906398251 0.179819423961223 1.67710754652473 1.08202797047179 1.15466703890497 4.5835563728614 0.781344387192575 1.00288282383215 0.761077629893973 0.514109652503404 1.094627427894 6.90569625758891 1.29038836188846 1.69839391309449 0.656891365082833 1.52594237993797 0.426540591171074 1.95971329558351 0.530115899633224 5.14869908781385 1.53110516339036 0.211520370943563 0.320343430297366 0.980026582670284 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1.63249176253856 1.73837946105674 5.89457903944709 1.02085793238172 1.19853673011418 1.4834663485018 8.40692132219756 7.44583675916939 1.15941728846879 0.334175110193434 0.963628439487886 0.937840394161757 0.314408293717274 0.426929235106113 0.326654756090776 0.579704007764542 1.47138989002294 0.425875210959378 2.44573475683261 8.31046729434165 0.353744103955836 0.523720179771391 2.24038241603353 0.439089150042346 0.807669957529936 0.836057516954025 1.59746477828401 0.74723511847726 9.6108332663621 0.962209679712663 1.13905700385136 0.981988860108432 0.893302464747374 1.64332564709664 1.77973986313141 7.10130377532285 0.628105662056985 0.454676961690395 3.45735375028592 5.70372648537039 1.33047829823011 0.803945326747486 1.33432038624885 3.36891772429696 0.218519915183512 6.57560536841389 0.163636476035633 1.12309827461502 3.72853159908754 2.65408534813707 1.29813119355098 1.74061114854631 4.37359746786926 9.99506061411589 0.637261144528038 1.31678216628236 9.00918330129018 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10.5058337704927 0.47827427947794 0.555792514953485 0.144555191475788 2.42002883933538 1.57595896062403 0.252217649989587 2.66283152714035 0.904590304816485 2.13467099696053 1.1888686492172 0.582399042555155 1.95682798944491 0.854808181513828 0.375367411551024 3.23302525682562 0.577563049799258 0.618370445744353 0.663853030107317 0.423511175901493 bilirubin degradation product, C17H18N2O4 (2)** 0.832505022407665 2.51774187796441 0.381548684664123 0.779138879973372 0.413412503120431 0.404737348881994 0.592912758698572 1.24295424556899 0.210608275976843 5.97806307430786 0.497287305493147 1.96904913043995 1.37360222531294 12.4239340014027 1.96496320863498 8.56193431047395 1.88994448605019 0.491189329909775 0.811729015845845 16.7082586213045 2.86085208563651 1.47464926357833 0.574628104085684 1.23202643747845 0.315408152348347 5.28560203511525 0.253552060673062 1.52985580637876 1 0.887838522163974 0.248823032939862 0.743391937995554 0.953147415094564 1.41745063775662 1.81011328649715 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0.280282445504611 0.783126712888664 4.23955968734195 1.23127059222592 6.6586273054762 2.55566681250041 28.0298784316981 1.77204912033729 0.260476728651951 1.02380179920476 1.10515360164366 1.50376103366417 8.79358039505496 1.48866443960369 2.12084150995481 2.01330584392665 15.192976755391 11.1096416818994 2.6578174952621 0.384787180347791 1.61736059932068 1.83485881544629 0.254446443787202 0.543463634682898 0.48051540600268 1.15078360597793 2.56160694868095 0.868932980819722 4.73457884521064 22.505977061489 0.448529939804107 0.269747782316903 3.08004948500654 0.441757583567066 1.47651728639218 1.1497318713288 3.33867587371646 0.641929426313128 28.6603895339924 0.961251345227187 3.69870221546758 0.796086732201874 0.876335868531641 8.22252718848664 1.67225911074689 18.4742808859833 0.692516080335211 0.458598580132758 6.49102205688739 30.2228709758417 0.838672563171563 0.538363867592465 2.67882672251471 1.62333638752322 0.639588616411237 14.6006917510898 0.0903890807024263 0.193100009524183 1.72129541112639 11.970717466384 2.34158507871203 1.86211580489788 3.71228003339067 18.6242434768259 17.6830438474032 0.966840054333682 3.71009099923959 9.72098472922035 0.792470089226825 1.32566033911185 0.642524815080602 3.13316030218654 2.17458744244108 0.884202232529618 6.89055236696321 1.73965823971707 1.76080192602409 2.23500947070499 0.780453320552932 3.6586273054762 1.67494676389143 0.57447732862455 5.09847597792223 2.12725530871341 0.329269342367895 1.37145281480354 1.10220365148009 1.21404913765399 bilirubin degradation product, C17H20N2O5 (2)** 0.788696374519719 3.53770512643482 0.261556232095616 0.908119576629121 0.356688869747043 0.48612866389183 0.62568587353669 7.39048007311893 1.17557354304614 0.250707627295104 8.06586402421517 0.600044274651885 2.27456596594359 1.91565547307027 7.64207144000018 2.50284782451457 14.4211290912957 2.18533106261356 0.295068198306604 0.884739053530684 9.11301214484387 3.59462917787232 1.72480103804332 0.48020024416813 1.03495637193338 0.279055678662467 3.52602275541762 0.187661399736544 2.683953068869 0.716865354646537 0.822979859417021 0.197588565742379 0.769614437920143 1.18287053171227 0.965043628066622 2.72817599393306 0.258994083475399 0.210076144881177 0.408190754816345 7.02148769578219 2.05722071996906 0.478179705042269 0.155044236503548 0.279265555964325 0.366289113744364 0.426504690054976 0.155713338219045 6.09090155031876 0.573240615417444 0.735396781871214 0.48604888768752 1.75727676577634 0.0828147551077963 0.237259174614079 0.263326167406842 1.17989500600305 0.469918884834811 0.278158301594102 0.181200681397313 0.985930973554381 0.589461046212256 5.45107734484045 0.0608830516242713 0.0649978482703704 0.309814586937846 0.376066391024084 1.15768486252513 1.95899320521841 0.188167861584096 0.842645297047658 0.386869602582206 0.174541216437978 0.752463592181691 1.63718748282113 0.629683915308703 15.8256116653346 0.0769008327502683 0.574197590257983 4.72070679520446 0.250938840460063 0.126840802258487 2.51966661364597 0.905582819471673 0.175076627922522 1.84427267472516 0.156967294034911 0.575060884352746 1.97235832494923 0.230426985779718 0.540864809901274 1.39684204808229 13.0939367414259 12.4564291827233 0.314306708809991 1.16421356477682 0.221645066423877 0.925260004729577 0.130525903539408 1.8215440343418 1.82934620923139 0.839753229302166 0.972718735596179 8.95903223886248 9.10704976887203 1.21252680716827 0.455724950728156 0.34724232183825 1.03131083759369 1.2350599540509 0.85494967750078 0.455031127704747 0.313374780557732 0.0764268992551405 0.720382815958645 3.29706164485824 0.797923149910987 0.50651715479865 0.208108523939497 0.3567001737973 0.506118361068364 1.13094388881136 8.81244171382419 0.670496842991395 0.186022312281513 1.04213389125422 0.678671463901523 0.418262736108821 0.481842687258215 0.256478365114852 1.01304992305493 0.672214323330637 0.967290456827001 0.507120224599588 0.718294516000704 0.509961548607784 0.382338447065987 0.312269152589346 0.533331641875424 1.2064661833651 0.80364157876778 0.378958784049942 0.883582156550285 0.812793667181586 0.933681513438471 0.810093189572422 0.545499729854655 2.20472788508235 7.5482093153141 1.01260851759653 1.6431915078404 1.49294808427754 3.13695149191467 1.0528460243095 12.5303306052069 11.3562548649745 1.2556755731684 0.667496131603232 1.69741021529982 1.20054965876463 1.1633567762894 0.864720449173154 7.30592846238995 10.1904519803231 12.8660755671832 1.80375835441963 4.81968473176243 0.424176658466349 0.932155948515924 0.808343831757187 1.52343433614018 0.66436856087183 1.58045468340299 0.106789869858578 1.33808698062077 1.3229806350839 0.178066605058565 1.37231265558567 0.256227899232046 0.374858950300738 2.94828595136863 1.86650038334291 1.19374121539708 0.99889599843345 1.18289864491452 1.12585780498857 0.467155628114763 0.55903334481573 2.1871637210903 0.410502522386608 0.945541560909887 0.622451956902954 3.80880540459836 4.01394574518642 1.08857449457123 1.69568850631581 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0.0833439862653618 0.173441443516203 1.43248952353257 8.71592810132874 2.24564815528624 1.68332785235915 3.17261946002809 15.9446376067692 12.731469671997 0.948581956502859 2.44685650679462 8.19756195859116 0.65396089024032 1.20017493578152 0.574908002580124 2.71953285835894 2.0249890136556 0.757173326619547 5.09491843757431 1.57294395972248 2.17659763891993 2.23338215791646 0.852298642507443 3.0852533820213 1.7010032622368 0.521365553004273 4.99666977959978 1.74056711330914 0.270748740107817 1.36103843805572 1.09638122338597 1.1209642871432 tetrahydrocortisol glucuronide 1 1.16577640333615 18.0182785626011 0.393916573377625 0.0259859459170524 5.26760608647142 11.6995412851796 7.81150911052493 0.043215408541724 0.369140424789072 15.6864026696736 1.62537827310904 2.44010099236535 0.105094376709101 0.49571073394033 0.374642025503854 0.595878975610202 3.85769725092503 12.9944706578476 0.246903192870315 4.84268777993056 16.444487860922 0.438563372438611 0.481298718785385 10.6301474322086 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0.353411860840516 9.7571048594877 2.72631889317072 0.0667866311473006 0.643329338519559 0.345356196223743 3.47768727554901 0.333048602081042 0.840959928535886 2.27902033238429 7.27901673036242 0.0362908848778374 0.816035995519085 0.406209782782644 2.60172701511254 0.999095377936998 5.89067554890954 1.61991774011206 0.991576414578309 6.22449858569184 6.51808034875805 0.395902854499414 1.47740940529075 0.496239746458827 0.52976170567056 7.69815777164519 6.15891297154969 0.15690407249738 0.785797021951236 4.16509661394507 9.82924872629934 0.0326425513017964 0.0991456518707615 10.9693781829652 0.313983614917105 0.727655757857682 3.62417584453262 0.13024911068653 0.477045086507701 1.99325650049168 0.484040727546668 1.34004424312001 0.130772947580805 8.25050312526854 0.801469933666195 0.540531236476338 3.48654773476563 0.0556605001767564 0.267908094926655 2.78205194835936 15.1719991169901 0.0403714610778381 7.38338582851391 5.03089145410021 0.634886199264879 7.31884788816031 10.6021957925297 7.18097381175731 0.558664329126 17.2197372273591 0.644798448866469 1.57253159873682 0.603431286029867 2.70386749087788 0.0808267978077066 1.68605034700335 0.684611081980474 0.298477425357102 0.842088905103705 0.73205331198192 0.787433883602207 0.174153640640687 0.279011584616897 0.900361900282656 4.82853295309704 0.502968837879685 3.52228545199971 3.21445666330306 0.363733711785764 15.5111552044328 0.723370380985853 11.0759928844631 0.614759644799478 0.538368479632882 2.24954035628113 0.369542743907051 11.5069768590678 0.501228546743695 0.133073610404286 8.3685717417268 7.07470541893315 17.1426843193182 0.0921659626429167 15.9764119025211 0.054171835996857 13.400382740552 0.9475169976839 0.0404321808750134 5.58354349415675 1.0281225284341 1.00670181896959 1.57363844859889 0.0531812799836159 6.52971230651354 0.837387237419038 1 2.83975530950888 0.569252729689357 0.167321634309361 0.0358293115043947 1.3198055114022 7.52997113751336 9.07501879483552 0.531791702279514 11.8431468703833 0.523502420815981 38.901530499091 4.79001910615313 0.189101002236856 8.50414412615722 10.4846494692421 0.021298240721063 2.38069305988156 47.4932459517134 0.838523932605142 0.961642583719993 0.165503127841416 0.345706621493882 0.041701636295619 0.313564236656953 12.4811256627077 1.07536973468021 0.703156348846555 1.17036122618999 2.09588273463442 0.347956856011234 6.76726256115075 1.15770835252268 0.553472786467513 30.5570007095983 3.77082701907476 0.920640768815547 18.2084181309314 1.18019526045963 0.67233590603457 0.09318790770385 0.0322900677334483 0.523008943820294 0.573441366545347 5.46515275402873 6.73735960476558 32.1145731115243 0.392405291267207 2.15088612310785 4.58817466512775 2.60513041120167 11.2557944953902 0.113647906479163 0.156896868453647 15.7817612137373 6.11869897028486 1.07837279176763 0.470314451363185 6.62913222662069 1.46577899125892 2.47284976018253 48.3298829394351 9.07349359586241 17.7717800111457 3.19950106851406 0.0245457207208366 0.574305337218714 3.62801302696937 1.16137006503708 0.272836175414348 0.285372240658285 11.2848787636626 0.078172622266773 0.0981839120324511 27.8969003572691 0.496979190090529 2.68363544862925 0.246328896500018 0.39752530806292 0.204267572592319 36.0200298144496 1.85201916481463 13.7505872582079 0.175980894876021 1.85334367971233 0.782795508587477 0.625289383863868 5.63963726610657 1.11102614913503 14.9002214214299 2.33936912130735 0.110789444840953 7.63901411632369 0.414177969725521 0.476772876569517 4.48382512080924 bilirubin degradation product, C16H18N2O5 (3)** 0.602848455521771 0.862683354879713 1.01640895270148 0.964957641501939 1.65005308353977 0.864655029214003 0.821964307638974 5.33057684113216 0.609399036551809 1.96803432013347 1.18224626429103 0.816655953662042 0.662879800088111 7.81712539993211 2.91091354244155 0.983591047298517 2.14791168632323 0.421873307285084 2.18390738186204 5.95247759296842 1.55861217238067 0.670181495150259 4.84267772152447 0.634120799358664 1.95125391810875 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0.879683542586852 1.11061952358757 2.63515409789168 3.19786233412004 4.74876507130896 7.49570518559073 0.657132499278649 1.04045239205009 0.857729802781333 2.49868677078786 0.501527784970739 0.524507446564518 1.2900473255748 0.516650266715003 4.08713429957409 0.45677687927416 0.448732271405636 0.25162211551978 0.316797742972066 0.387576481729467 0.617516134839663 8.63130195886942 0.4063587421607 0.179995018360547 1.00387926676186 0.477191736397288 0.735526734387369 0.357962854726022 0.405623827033532 0.430926609599767 0.772893962598246 0.596968105176713 1.20485635861885 0.75969015189068 0.962349163602465 1.94104402338904 1.14517533151331 1.05818900142791 0.867130797629529 0.506292402506603 1.76780627834541 0.753855221719948 1.38984288106459 0.723131823551317 0.361395746863663 3.33585867927367 3.85305150078054 0.775463699385187 0.938807217951658 1.14524931625765 1.50781402208198 0.68786082976357 11.4378392508798 12.3035939322645 0.896611252093152 0.405480789861131 1.92852087232946 0.69338009169176 2.7438080934378 0.525927953655956 4.36817274944573 1.16288727930967 13.4571936600006 4.76669897333836 1.19225429049863 1.28702381568921 1.01041951816202 0.660437151192757 0.782447859251422 0.632535037941843 1.35764472032534 0.303381842664043 1.60149843768882 2.13509121085899 0.421165555662422 3.15124701286595 0.677813701481421 0.320284890588894 3.60074379329649 1.10593382311234 2.78453916135826 0.627193339400082 0.659500011097712 0.68819622727127 0.441175962849794 0.35472232292368 0.678163895937991 0.839154699634269 0.491584235330675 3.25870738786996 1.78269694122405 0.571522285438076 2.83910044415508 1.41347360840861 1.56497956787977 1.87008772124521 0.870613012930067 3.64066596134544 3.31786558944879 24.3649026237457 1.07174793890833 0.573421227209616 1.31986317754612 1.9191987945419 9.17070993294516 0.77506418176572 0.667850422576198 1.19449356209416 8.29255047609183 15.1455255259699 1.47824478592514 0.335816754585205 0.829275270105971 0.824890440924415 0.567048674563305 0.395221571978525 0.299884830414635 0.9227229345309 1.54010589683074 0.290547955678206 3.55616551867005 10.6491618761545 0.361716347422495 1.43601429385261 1.39820808949195 0.424036163743036 0.686859569556757 0.593347785020062 1.26222906170081 0.667539686649946 8.42842592524088 1.7084902426453 0.873528011857288 0.949357442495358 1.44508482350939 1.9338231123409 1.95900258699989 4.97777744895669 0.427054741312341 0.738565041221833 3.91983013102698 8.42816451247753 1.21934257156174 0.633516568883496 0.99612073323814 2.47058736488536 6.72425639166537 0.791079412758423 3.09966484910811 1.45118609875977 0.707180712670381 1.25907237927539 2.77030942886244 9.49129569482773 0.493330275297234 2.24276860777974 11.6216124235183 1.10512492324083 0.993994904917273 0.541277321949547 4.4446236519363 1.42068958714047 0.9109741571288 2.94047434085758 0.630798862607864 0.851441099511947 0.751828039724876 0.485852883802027 3.98680112160872 1.24488703762618 2.25396989807368 2.13535755593863 0.57766301921877 1.17972620712276 0.825077868943424 0.621743129899948 bilirubin degradation product, C16H18N2O5 (4)** 0.699052917989326 0.73818327693864 1.8392576830502 0.211637073987512 2.21217776537482 1 1.03413332403112 4.95511389402449 0.565188195486099 4.61379809537098 0.948215718421879 0.293930741728046 2.63098682298839 2.1049991788056 2.45889606205703 0.364414488395892 0.984972142559347 0.341199954518464 1.10386214041161 1.33315856632092 0.618833145932561 1.6807764708855 0.270021351054287 0.421929680492211 0.114543984435208 2.19052341667404 0.229839677586447 0.411266787108511 0.529683018963274 1.554356752113 0.613792275719177 0.900812350763711 0.918404861470822 1.38423054085126 1.65592586509671 0.891204376334441 1.28509974353467 0.734444683082132 0.216106780538956 0.896864300784556 1.01417507864516 1.44187838742688 6.29998231273609 2.30161206776749 2.86942377420944 0.189316892600407 3.309470266446 0.980550326582694 0.392606723687037 1.00033479463823 0.429206726213789 1.24821548140942 0.612168837567749 1.26319280381034 4.52551387818529 4.37704824832919 0.342608618751027 0.48820638510227 0.389871514661478 1.04201356865817 1.09324978206764 1.29154927798062 2.1056245499223 2.33505994719088 1.31507965585638 2.84872335855874 0.33416295023562 0.653822344067818 1.043371697851 0.861982489608733 0.322085075739391 0.357270097153614 0.545001452882392 2.27782901469306 0.163013404419289 0.313443583945018 0.317707477922504 1.27663512437937 5.44124038255025 0.417267823076826 0.782648794107614 0.687131252131947 1.29889580938183 0.387572170353619 0.68179348856013 0.775201192626938 0.748063876290223 0.539928998269175 0.561930691193006 1.36502722575266 0.304953697269845 0.740527838490013 0.460980632446022 0.315812413932511 0.474921986532412 1.15132085960103 0.506657991484846 2.15635541293444 4.27667302565917 0.400395436685912 0.391463368413073 1.81818124392 2.60891564438493 0.705462837795156 15.6982679115132 2.21623943501826 1.10009096307152 3.98136520409839 0.959388778694427 3.91107096382955 0.330398089775498 2.78201078923098 0.579169456621985 6.47513044357131 3.80365241999672 1.69920912662818 1.59640822205097 1.21038368728917 0.504453400376486 2.43141131732215 0.282730913547181 0.820398468788296 1.60707743231463 0.179348856013038 1.28140436875419 0.270179273053454 2.98629868735234 0.496677321137544 1.77661617373947 0.691748891387566 0.999665205361768 1.16917236238677 0.603287304334643 0.682311472717395 1.37519740249896 1.9885032784607 0.908992710320519 1.7332002577287 1.13312192841712 1.00847725291524 0.486260786072543 1.39590413502963 0.413597715816204 1.54932851565955 2.46164390484252 13.3461208040125 0.798339923944765 0.886302477480323 1.93173347820045 2.37796419592435 3.32540775460185 1.22491251121246 0.847510517605145 1.77536543150607 6.66301340441929 6.93153765492148 0.943034376460778 0.262940128611676 1.13030459995199 1.489962477733 0.44476520157164 0.352709309817695 0.343448763786591 0.392227710889038 0.386744659077988 1.27542860030574 6.04718077647089 0.293318004371281 3.13084153474916 0.574191755208268 0.575417229921797 0.521584778846032 2.20679569946812 1.1493184086516 5.63896504238627 0.934607658585272 0.796217452275972 0.854332747969123 0.468504036486299 0.573496898411936 0.980480840903061 5.33900168029007 0.506575872045279 2.52879865576794 3.54400970272763 0.97355122357965 0.580906598612813 0.839551248847169 2.76842949730269 2.96274304195672 0.121050370800854 1.21982110595934 2.12752517276667 3.23167157277677 1.35517289300469 1.45729789142547 2.35558349020252 9.95494169519791 0.764235089004839 7.69219107298523 0.841275757078064 1.5123874016146 0.556397104342223 4.47051280431569 1.85795863706998 0.801233054969489 3.43184086515988 0.791239750862254 0.798567331623565 0.849487701034705 6.136931007037 0.919901962022918 1.08199941884704 2.6594127828383 1.17356891084356 0.25325003474284 2.34567862241482 1.32199032253989 0.469748461839728 tetrahydrocortisone glucuronide (5) 0.701411682271881 1.41638238385393 11.0581887876019 0.575742421224008 2.63308488641282 2.31860878883844 4.54316862561911 0.658713617410061 6.36345013773348 0.703127683398479 1.30476812002391 0.120796037672339 0.279396308330643 3.12625729025699 1.29687231660152 8.29249781893372 0.184491416559617 2.147354898984 4.14487226164552 0.489560420688187 0.430569275473824 4.31874480494054 0.177051747944302 1.78640938098935 0.496392825494089 0.178777366371049 6.95074568423656 0.329929725013911 0.207553702317082 0.695194784675519 0.0900220510953418 3.43008566266633 0.823577684278708 0.169462032699058 0.796741072531309 4.52995583952925 0.349301364336234 0.506280996725703 0.573822639034123 0.0992142235689016 0.983120764752863 1.51392193834002 1.50409904680351 0.855447876098179 1.32778102554391 0.176147856611583 0.692904957554899 8.00559073206478 0.205174652054464 0.124777345047248 7.86997499677511 1.29658600313432 0.247589562868976 0.88244367412921 1.4611132610408 5.21725908665498 0.192318987355669 1.7830455629568 0.191182726641471 4.94839070901022 1.09793249952656 0.0888753489061432 0.120086838862312 1.67704396560478 1.29066592013789 0.887241219366933 0.184211465254849 0.277151553575791 6.88026172420702 0.556721091908122 5.94079917003565 0.599909977412015 0.126558584669263 1.02049386172201 0.644899314675603 1.20437048686302 0.226376618279526 1.19330704015062 0.664171833359407 2.2707209766353 0.886096724879444 0.358155415215464 1.50007273166407 0.462998795124508 1.69901716192813 0.331176084731016 0.673706542830716 1.67994499839441 1.3441332993004 0.806042491759365 0.726921419612299 0.25179976561192 0.300884032792374 2.55040304320261 2.53454479584359 0.0745815184724704 0.685565920961266 1.48725823583174 3.85413596155377 2.54368428419692 0.192615403194155 1.65639366219024 4.74694321166561 0.122027264767959 0.556180407461994 1.02640845553625 1.80381937297072 2.23353725645185 0.366098261850458 2.54272642190403 0.816301773280308 0.457806028768804 1.5027871322591 0.305409863511485 0.810208781044756 5.01356651379294 2.44668220105228 4.05961251862891 0.389254376936652 1.30386191413272 1.18162880503248 3.4516663784846 0.363109402145721 11.0026375520443 0.411663963244436 1.11592329416802 0.120432657340546 0.413840423984433 1.28108455261793 0.771570427579847 0.248454109064561 0.246390176559545 1.708115481415 0.0995874879581065 0.381034326600851 1.21327668497309 3.85219004646593 0.0999799644849912 1.10912219742942 0.651373805073651 0.363457965215052 2.28153466555785 1.06054019041973 5.32545361229357 1 1.05579204782176 0.473422752111277 0.793162125740697 3.12622374455542 0.629041067316586 12.1719266755043 1.87805507296495 2.84919844217009 10.7373755671011 6.81520942602366 0.376255993500808 0.200006587018633 2.82595724475989 0.80331711279995 1.17517901595431 1.91043850331958 4.77508899336632 0.68665826821791 0.668008771713146 2.49227534835723 0.969883601891572 0.278271346743405 0.237451043356306 3.71704912543605 4.52469171380502 0.736774501650872 4.90187812368774 0.756384605039618 10.8767788381048 1.98926864881036 4.87881532469885 4.18322890164209 2.45581345563231 14.5661213164157 0.817649367508982 0.050289142672079 0.210394864321139 7.33871822106583 0.760734781928514 0.409097770568652 0.72374592771296 1.72855994049727 0.187496740798072 5.57854059113003 0.496392235002868 0.253081489654264 19.5342017219565 1.9458547068365 0.650912713769339 6.70775593998128 0.767717021679525 0.253235186755701 0.0830156469138446 0.641048653366378 0.413837679393336 2.0738926261071 3.84518584998614 10.5582745304691 0.461774707495204 1.20378863355043 0.843322272631212 0.731554289384196 10.0901213932642 0.323480251294761 0.140674016681625 10.0798209428768 0.728570918861653 1.00015918628363 3.28256937640146 1.94220165608627 3.99430222888243 11.9909154034686 1.24342052899249 5.44203835291599 1.04537083542608 0.677990849533282 1.521497009768 1.14564721574956 0.616610814237841 2.83561546083057 0.208907295946513 18.9188342074856 2.72265906963851 0.111191619116626 0.263587784373945 17.6400029641584 0.693113546478278 4.57935024550367 0.390975235554531 0.421478621007649 0.365886928335982 0.353470398212722 2.47553883184714 2.34863991788183 3.41259986880855 2.04992960123836 4.9880912192297 0.287586488926947 0.597170875497114 3.94565709627751 menthol glucuronide 0.611137240513888 0.075451740510961 17.2007603330946 1.01538035194679 2.69072631716585 3.57558152015878 2.09748500703542 0.26306822506328 0.99145601055411 0.448897068150904 0.200368066790657 5.0251928642661 0.126662984697711 1.32965786962317 19.7646733943916 0.721984672340542 0.0691774312216656 1.39619872484178 1.00854398944589 0.0839020544215829 2.22342590948211 0.894138838852709 20.8202171320845 0.637303940032045 0.648342040604441 1.5762313941847 1.63907596890753 0.0923016274172679 2.43027124922181 0.347237645075106 3.15028623787111 0.272106883022296 3.37714169361975 3.5128411556022 0.263727279134786 0.527340219749238 0.219589477723567 6.19722454988997 0.284189175431315 14.9860898575467 2.87851610528542 2.61387098542575 0.3943222310108 4.86672670744219 0.070003367504366 0.12734491859254 25.3669874932454 3.42219107063145 4.7996757798122 0.200899045351669 2.51400803502205 3.17099090773821 8.82147684644963 0.457302394060662 5.10873906540007 0.0521712571755253 3.30233140941805 0.803823292166245 0.25719588694583 0.803693290834906 1.03970209333469 2.05906915914199 0.874052204149079 4.85873084242429 0.238615094250965 0.0408533099435356 0.0663085103883594 1.09035875668606 0.0846199027339437 0.14327086482211 1.71244175392158 1.17566938938531 0.103842870680001 10.9565263017754 0.366885684973882 0.0550281539027809 0.547607897189309 0.656483229045117 5.14316905655058 10.0622314806838 1.23595085009907 0.222081430954413 0.849713762128889 0.655488640546319 0.561394303435638 2.04749434180953 0.785602744124488 4.72092003351842 7.79913854539474 18.3271632299849 1.08020925515502 0.0599744696180624 0.190830990437854 31.8547744163645 0.0941522895113986 1.12835516990234 0.179505211800362 2.03303286840889 0.0597066355498821 1.06668755041467 0.368439435825548 3.88452592586792 0.24801434713488 2.32191462201721 9.37967437015921 0.827994142108684 0.491899977288924 0.218992724624288 8.67285869795052 1.43159815492086 35.2214298580166 0.280190459781817 0.16156972691889 0.131688216084141 0.129534579570996 0.262706063857281 13.9111589697003 6.77582131865206 1.14447846755057 1.59118027112326 14.3001229530664 0.269369023658676 2.13585609009249 0.563486854985864 0.657252273065447 29.8468552991205 0.0688803439553297 0.377924834169989 0.776505783492964 0.186213593753671 0.281155288939706 0.175208902741775 0.374948900079097 0.164761807801646 3.29922077515252 0.0476071140487583 4.30593072338693 0.131708577738447 84.2607184531408 0.0368060395799234 25.2502369000165 0.376403975221433 0.523388492532755 12.4182675364748 0.638571238380152 3.1973263581615 0.39302065141631 0.256583471035547 6.12492031544901 0.0902099599815179 0.594788982778739 0.235003250033284 1.46858901567064 44.3866161279965 0.433515282987838 0.0692515525761408 6.65711600660971 1.2861423279636 5.88452122702461 0.384644180091001 2.66633513716707 0.0487442341276989 0.658746505235295 0.146838853168978 0.851765590370504 9.18674769560893 4.82056683713026 0.155450266659357 3.58960615861729 16.9503833472993 0.414354966285799 2.9585812625792 0.165778324235851 10.7863514264905 0.478746348607185 1.14152602767619 0.446574934803549 11.5881072276041 4.13507138326115 1 3.14598209740702 0.439106906516512 0.360037904002631 0.132989795678631 0.34534148843693 9.47941515063708 5.42556327384076 0.158441863561253 0.317146862347385 1.62924403442686 9.63786641188494 29.4018435128553 1.31391875699932 0.70464010776014 5.41714607920684 1.10829267528643 0.795803932931843 2.05138655034419 0.466682851571372 1.14109686665466 1.65380332208221 0.425171703565639 4.02518110125224 1.76265359344042 19.0194046565537 1.76853184641048 11.7957632096232 1.97602493519512 5.34064421141662 0.326867202856897 14.413188086866 0.242053081266495 2.13008121167506 14.7458066739238 0.406095966043026 3.0293724694771 1.65784745988363 0.383579108942682 0.491105872770986 0.166815202324361 1.05188619401524 N-lactoyl isoleucine 1.11366871810596 0.963742088087781 2.00431824320871 0.721303576512845 1.77130102133935 0.994944406725217 1.56582491951204 1.28055074939588 0.443541616475759 1.33972856756974 6.35813676748651 1.76851223198055 0.605452010191492 0.252319732509837 0.876158041130993 0.29269512399892 3.55177146528249 2.18676858158669 1.5280448542456 0.5011972812954 1.96442103418822 0.959066120589588 0.245497419274769 0.940632368937851 0.808847470743264 0.603356767924542 1.86978835862955 1.34001693715003 1.16591106536134 2.07656759893997 2.30958482080933 0.439135767318601 0.87988494418771 0.551344386283829 1.00505559327478 0.848620571336794 1.61509028444893 1.63431251003096 0.968745275272784 1.43399570616791 0.849127393764872 0.290961785824772 0.679737345872129 0.585580074386105 0.838702174130476 0.344343934555114 0.745768388929077 5.33022732189087 3.1587857247528 1.5078189147258 0.420832761520193 0.885087656046837 1.79200733161363 0.368283327789653 0.428573754590981 4.28042491725185 0.362324065696096 1.53002309737416 3.33377682772801 4.04840911892705 0.99628069473552 5.35556697889602 0.63234702350908 2.97788188007508 1.5101263261219 0.422251633447231 2.42692228070869 0.282146171720719 0.732337952032825 0.373316834101307 1.77811634284598 0.999792984259826 0.534868196102056 1.18851690667312 0.458974830142422 1.19565313466025 1.33004589236577 0.877686261830717 1.07361619281772 1.99573873217978 0.524889572221744 0.393478771582554 1.00020701574017 2.67077751855582 0.451568783887197 1.29277840709529 1.91005282390404 1.41615978823918 0.393678809264071 0.581174593353632 0.22563785271179 1.51871864234891 2.25079142815274 0.343101840114068 0.815120987907024 0.507207171583484 1.26916930863721 0.2713301808015 0.219357599919985 0.375652157732038 2.3085185814072 1.42410547103059 5.7951195457749 2.22479118159467 1.79252370795429 5.71175965705168 1.10517562610631 0.811264447488946 2.01443992938205 2.56475754735194 0.810180522377471 0.848266766530439 2.1059455385782 0.756254085071839 0.367306399577595 0.74267943496333 8.22171153170714 1.32094650387631 0.662013076881924 0.267985364684976 0.293087767695775 1.07583521547082 2.16301675431884 0.36156113128287 0.709910471507424 0.407607014344563 0.238277442960186 0.576969150002675 0.331434526038626 0.675564466794908 4.24675811024868 0.259774515664579 0.287733270685873 0.191617490736627 0.192733980121837 0.767149160655845 1.5853451464113 1.52468255648157 0.605597798655095 0.452527103942836 0.562352443134637 0.952807389298914 2.37864341887658 0.541315922301643 0.389087246667396 2.82425294067022 0.974844098539492 1.87827474477751 1.09703455767249 3.8599038423517 0.350866093380381 0.876220869512629 0.266296674489846 0.407658186774718 1.63615006547745 7.29316917838011 0.149837527534256 3.48334918903328 0.638459802893103 0.637334009429683 0.8128833570975 0.691702390450294 1.72913967514811 7.46405718286468 6.37492643963165 0.51187316680584 8.8728667493179 0.57690867349431 0.231383121006515 2.76100381699809 1.25034715841821 0.22449345109195 1.46353615448492 0.499931382423201 1.83280571456484 30.9565011083483 0.843540294799718 2.02534430904426 0.503913527897116 1.86684468469642 0.342659896399089 2.27715918580012 1.62384077000551 0.5974799904168 1.172258030001 0.806175116708031 0.835971427175817 0.219711154891968 0.292292269008813 3.99822757310098 0.477564378406165 0.391687736527113 1.99672031243095 0.204405946236384 1.18101316759669 0.979016977616714 1.9338247437308 0.590334458351457 7.18419516234454 0.517674259569826 0.94030736022367 2.39362298479481 3.18980552150521 2.35307115991617 2.87012669828503 4.88839990788963 1.59340247814123 0.522982236188677 0.457146578774141 3.80313035711378 1.4016872945834 0.31935783252194 0.504732286779603 0.774071394844145 1.27895254687511 0.815860662124726 1.16989014209653 1.16120013304832 0.977077077309912 0.489138651699506 1.76666302256937 1.07768207499552 0.576182955393923 1.02872866749318 0.664748475875688 6.19616253294225 2.74481472091254 2.86192515334284 4.97256925141713 0.299963481493025 1.50794917182074 0.744205303789784 0.147697589545938 0.40731858792005 0.524182462277778 1.44443488191962 3.13064554020641 0.283611564038807 1.10521284241915 8.72212672619726 1.11045569049053 0.671084553136754 0.262314529015931 1.24203396453751 5.7562610631305 3.44969168610831 5.9008790027889 2.28583989077012 0.348288863716188 1.49634698629277 1.58138160909381 1.63525687396928 0.566483453859913 2.65474659179985 0.494869963876916 1.2418432309342 0.0849276259016233 0.469455874246079 3.85810350321805 1.99527352826928 0.904844866125945 0.912781244839144 4.78447800632212 4.79833643081604 1.39758419609275 0.894698768837851 2.83751590415869 3.58579174216539 2.62177759066243 1.00452410802965 2.18779816663139 0.755965658647327 20.804225912323 0.743726143761965 1.27272346651346 0.913106887576497 1.01198597875414 3.48012067389439 4.16701285591007 0.437645230845811 1.16350754444442 0.28339291820087 0.405946236384063 4.07395811769194 N-lactoyl leucine 1.17533482757598 0.75372748573196 1.6495421939945 1.73348529978773 0.992292928051793 1.79908650648047 1.70464839397162 0.211859738917112 0.665219030832525 5.97010596694306 0.950287479291746 0.353184304520437 0.193274213298195 1.77910913196931 0.405703826419283 6.71271772796027 1.98248431257071 1.02303647618604 0.419160484202409 1.46248999012783 1.44555900634276 0.348519386315393 0.904684832024812 1 0.527322184418919 1.72292673832817 0.428886478516378 1.06911154704958 1.02047522000534 2.06844422223823 0.291110386116254 0.801963417889389 0.336276624141481 1.37912523250444 0.706317765245724 1.26833638328668 0.821150523167956 0.865538502738582 1.19518532451716 0.887274999521784 0.25116525221095 0.547815191955775 0.68785587216976 0.873154884494972 0.344028361378026 0.652190546632405 7.19008435724624 3.66837974150848 1.08136680418024 0.367228198147074 1.16209279934708 0.721656156548686 0.291520279533007 0.390609756875147 2.5197726243839 0.274039902316477 0.773491548334853 1.86982012714161 2.88031536730153 1.23799838044289 5.10212136476379 0.621654881306868 1.15569108542207 0.467248602016157 2.23238094023579 0.397735170531712 0.484588702632737 1.4663814375801 0.668832452353778 0.235176907921165 0.987872450313391 0.345023049995856 2.86093169167203 0.778901761746571 0.621138408370687 1.34613888658637 1.38819954983964 0.488213577499633 0.566768473471782 0.431175199097129 3.38662781429929 0.502177475403773 0.933320793455459 1.98212110971543 1.1910662934459 0.394763857096402 0.56083222281025 0.236570109607034 2.24717055721691 3.69981126421098 0.179161911077388 0.743242812418305 0.468715130106547 1.47017847009239 0.509832114414696 0.18160399915834 0.389697958975471 1.5116302053777 1.6978059464526 8.48069921508866 2.39523569656896 1.73733525469767 6.70431924403665 2.82343639412624 0.318520336918888 1.65690575325346 3.68742228995173 0.93397754299159 1.53001600428481 1.27765840097429 0.770979321953926 0.347098506054211 0.630205377694745 14.4607257401185 1.36286049492135 0.517438931857454 0.453048784375737 0.357660696409557 0.457014786428877 2.96963011611077 0.707006816167516 0.777285392742599 0.873964663049231 0.26060204166215 0.615788768945311 0.178699635918461 0.759447947817105 6.83341197324543 0.520693986597208 0.417855298310942 0.496999993623791 0.285855017757742 0.144048127626201 1 1.53795438460018 2.29467650303189 1.0970650309565 1.1594116034253 0.312249335280203 0.89852263235416 3.10488545140372 0.60405016801311 0.551047929963719 2.26195698609349 1.08336255762499 1.8282599963018 1.70139575216951 3.63363577818444 0.309019785376802 1.04677586987433 0.196878208030198 0.475406961545083 2.23472100897133 11.0831648951432 0.259432007294383 2.97736126963075 0.972738518041484 0.725695485006344 1.4419191114115 0.623628318019804 2.14100667589092 11.0818992176391 1.20501743893186 9.14892273947447 0.44129105481627 10.6293286489451 0.651632628337148 0.403942410079511 6.9881753202451 1.54360689395727 0.344286597846117 0.57713300134538 1.05102242512737 2.76218971772522 30.5404761752947 0.899373856267495 0.774623325448088 0.370279214195992 3.62536583499646 0.786027175403136 2.56876103881199 0.98332302512864 0.59296194040795 2.18777298145161 0.932153947192236 0.733863408848903 0.353949742719963 0.271310884826535 2.42433671484955 0.481805487365542 0.438571601639961 2.76983798052706 0.282886892426977 1.00407758571219 0.864135736739079 1.82865850936984 1.28149050263656 8.61745614762199 0.410787270536175 1.96926029598363 4.06774722156689 3.83520687610388 2.60325632998157 5.1250087672875 7.13222982408039 2.03859519361359 0.434420689523251 0.454693846320609 5.68017572832248 2.85991468632239 0.716644456205008 0.562164850509778 1.11400661850503 1.54698628477425 2.50782042044723 1.10957515318842 0.69825865729789 0.821125018331601 1.03219029158404 0.439390944507852 1.20664656035401 0.770169543399667 0.946918059337002 1.99089796152595 0.511706719886759 6.63655608194704 2.98259613729253 3.51506379397193 0.600897132618773 0.780744486173191 0.679662443490847 0.183430783062238 0.478872431184763 0.366950833051717 1.31398366415232 7.2427103989594 5.69433410060383 0.276829493792761 2.93011037217933 1.44408702250164 14.8214725217269 1.06878016743925 0.742417093341325 0.121390268629689 2.11643276606327 6.426670407376 6.40312944342071 4.890778726416 2.89004865047535 1.40574368914705 0.2545637716552 1.54254206703946 1.38776277951707 2.02869931710801 0.284643538030899 0.484218882505595 1.29688267137656 0.210931372861579 0.347675552976733 5.2207507348581 3.60536685518992 1.09362506615317 0.949315513954333 3.61823404513081 6.41789355556547 0.897684160859003 1.15940841532076 4.10498109454005 1.61447208176851 0.696760248162058 2.4799468224162 0.688675215037652 28.3763174842029 1.42772248187563 1.03117647433895 1.51536985200819 0.648071515561138 2.42119643187339 7.51905848896597 0.372606530513349 0.497962801196177 0.612259537214744 0.288443758647734 4.07152512545191 N-lactoyl phenylalanine 0.918302087267688 0.475918683971996 4.0155056563498 0.341626242807514 2.12080655729273 2.30993070750949 1.74393208492614 2.86785562305077 0.163949662987475 0.804021960913784 2.97810338160871 0.875167354926418 0.327982461413045 0.329401146730759 3.0327765950416 0.365233716743208 6.05737062944592 5.17466546209996 1.62807238524842 0.341017380390384 2.67231030691032 1.13827367169457 0.211674189227621 0.622670077013919 1.08169791273231 0.525940499548288 0.697355007160712 1.37282565691201 1.63037625364802 1.18040898448866 5.17197761563377 0.165114157217487 0.549838648468977 0.214103657929371 1.71657693721271 0.599750414256711 3.74430286139465 0.620453060297197 0.891703539162682 0.895891220021089 1.36069219281591 0.301129578278837 0.686863934081423 0.521363808900455 0.641078248814819 0.38590711607278 0.474700276732457 11.1521817831318 2.80199179950539 2.45779154085658 0.229135598201748 0.488717033776389 0.491869557568673 0.125325637308072 0.27851694437646 4.77399339929358 0.438308957865807 0.897660959374299 1.95599318369438 2.76022595076964 1.05286288698564 8.89735336182005 1.12923837651696 1.13510590520588 1.36512356397415 0.259431850462643 8.32066974802634 0.257152257629104 0.252605010679885 0.517045504423119 2.55160317668214 0.587063977833312 0.143853825147645 0.609134453489389 0.226209207771263 3.11954062622789 0.326674220831869 0.374738094376969 1.28411795874611 2.17661226239757 0.216795879878239 0.275634095152284 0.421692369438708 5.71129581790225 0.215797241243214 1.3944239867101 1.80691722289973 1.92200154711738 0.355608756979322 0.261126446121093 0.161791397591961 1.75220488806223 2.27096043824926 0.16587303454468 1.1285943880301 0.39841748783392 4.01427449289418 0.681893213786972 0.170352160574351 0.389089837798472 1.64309343416166 2.8410826731632 17.3121282976758 3.93940328181308 1.26460096415681 7.40112441653906 2.58266350688601 0.289211226467997 1.57563616687097 7.212539024684 1.12784154652747 2.92051096307881 1.91809547954494 0.510868271347393 0.578297447537236 1.50873580565453 5.66604526810673 0.867637190791597 0.488249316947326 0.58832877964884 0.333551624596147 0.346030393868836 2.40227299142484 0.670050707948412 0.366881715748257 0.452722501709168 0.185352808425364 0.835066963917332 0.181329460506897 0.44511402704541 5.5410967538275 0.159343258153354 0.284298092930278 0.611457587529237 0.241270953766613 0.143889641301222 1.30926370766715 1.26076512433648 4.86867585924533 3.4428502354561 2.50571425661993 0.302449860018533 0.991643248637494 4.42991463465592 1.2951865547564 0.428814868057855 2.31896672503763 0.59738675511618 4.03882471047731 3.27429450078076 2.13586401378992 0.287670429586671 1.68382693494136 0.243596194639024 0.331163881024356 3.67225550822595 20.69795851436 0.223507546147534 2.38137461695151 0.589484728448595 0.61261213177395 1.31433274681456 0.626166790208987 2.69696830305522 4.49969222687637 2.55941952549215 12.3397091939013 0.281579576646042 14.1250959925587 0.188259535085258 0.179552698378476 2.94164108913412 2.3865265248464 0.186158320742083 1.47495134094626 1.19776310563975 4.61791432705837 8.99358293915081 1.93576618653123 2.6275074379968 0.310431946323525 6.05687956326766 0.496555153189551 2.88635569583939 0.78666810399466 0.500092525063407 1.75392055204631 0.775447816039808 0.902470858116414 0.256841850964771 0.462433595271144 2.86478875316596 0.486554721288876 0.389003457663375 6.82878158010335 0.162663626273185 0.721041674201519 0.674803722211317 7.47353765629625 0.755813541104479 8.8910321618525 0.306511833200661 1.91550828915715 12.6496916826113 4.23571523629707 3.1457032729995 17.9628467100229 7.39662211535119 2.74253979367789 0.328063325768634 0.4558799414441 6.62182531057346 3.07861821279501 0.473409490648648 0.904798205821389 0.746230964328867 1.06865710843551 5.32371166310905 1.32794639656137 0.857972447546014 1.13699292490511 0.976426299309977 0.318878940347494 0.684567486587377 1.18269363459166 1.00835675136251 2.52155553066372 0.686920818560633 10.9905680617527 2.88176841907147 0.745903000726506 6.22166898359726 0.24972918423092 0.486723970171465 0.920207579189691 0.179570255316504 0.353468215094964 0.395974966615482 1.16614235797403 6.11559417769798 6.15922387097477 0.18572220640147 1.8465488502488 2.70281406114098 11.195260890832 1.12796655192622 1.39908289578518 0.077228054441958 2.94563985733934 11.4618489492348 4.81912245507794 4.89787445174072 2.79869249971119 0.806055879520078 0.200014256233679 3.88403572204839 1.36993978321395 1.44896637038749 0.945115256031072 0.54272779337029 0.473892657583175 1.28787092981895 0.0962892709200573 0.21233641761916 3.59933943776364 2.81125975595154 2.29766102960205 0.731705758359648 6.3567057144673 10.9571354380825 0.477151225281148 0.647797640136846 0.525843637207646 7.64552823032736 2.4915212279182 0.470667799206216 3.38753956017061 0.674700487415714 24.3719177478522 0.939355175802888 0.968215972810624 1.61583663901215 0.487298433183737 5.43098385218182 5.80856757507435 0.50318746209896 0.604940452133291 0.256081986686925 0.193044854114135 1.40526855619116 N-lactoyl tyrosine 1.08214133389353 0.382009561458791 1.46152181247573 0.234714079279899 1.22393038341322 2.30985619616905 1.05860053854821 2.24382674789451 0.289880258961481 1.02424421824571 3.38413892761428 1.25846494662262 0.328823151207277 0.266718229793302 1.78890947170076 0.302653272985378 5.67151423715219 2.62808662605275 2.21101413848201 0.2494382165524 2.93492224153187 0.975755781754292 0.217185799132976 0.616230289835698 0.910531609469791 0.863160374055472 0.675088644017086 1.13970106118188 0.93357268809401 1.67161290733279 3.43985575056178 0.130448344569002 0.573633417998714 0.390536574807911 1.32653463959921 0.556025565125502 6.42087858234187 0.694147588984569 0.982332810318627 1.32972164910243 1.83236760932861 0.447618223973841 0.73916391775079 0.655576283959921 0.731499899103462 0.633860878088155 3.87367341643914 3.59924718828118 4.78366958648892 0.229195751638024 0.948942233643436 0.686796555515746 0.0985985676809857 0.289828393521207 3.92707033518242 0.281007153358619 0.763395559728691 3.26436540195945 5.16929203576268 0.590030598419425 13.1518801760953 0.552727707012927 0.825630191538693 1.80706934680817 0.325430457576095 2.63810676912813 0.301425318030005 0.614163402972536 0.419227173702656 2.26141263389382 0.666773740543524 0.209201764248033 0.773073390906133 0.222248304320431 4.32454503897901 1.40328963895512 0.496328601491621 1.62778649468955 1.96681121640042 0.222927811615868 0.454487424996808 0.339514790608797 4.55031854478365 0.26934021900726 0.770190632683065 2.55008380589977 1.99524344893194 0.601248646133192 0.288144039073729 0.212479872170264 1 2.3691948456283 0.26945141111015 0.971370092618903 0.736622972288457 1.30145826383827 0.379527474744979 0.134628927243301 0.423197143598424 1.70153156826166 3.44634981035569 60.3178076211891 4.05174139187803 1.08845537696182 17.5563352730178 1.2526366942176 0.54828414112337 1.39309291129753 7.49546789225073 0.867561969006231 0.908476544643629 2.78332777372819 0.53413391647414 0.530608714989931 1.51061884582597 11.642459734045 0.720784274965716 0.75356535418803 0.43948884578479 0.494800739633396 0.683333127422032 5.2493503498433 0.880933848935233 0.619825963767847 0.444999032216882 0.183133393459433 0.478966160536687 0.279281616650812 0.619282357931497 11.0620904938989 0.18573611231226 0.259155846027765 0.772945725899112 0.28277799055279 0.121936554609736 1.48287847526799 1.98823834644988 4.28804108342291 1.0093977918072 2.64682505363989 0.237893445019623 0.908406534801069 4.57719408787471 0.721146678856616 0.362976324318537 2.44834303175564 0.992393636517134 4.84736207031459 4.22436507250137 2.4947142568867 0.337159165317948 1.44749467719285 0.211870374717387 0.276604769729391 4.73167698282288 32.639461665493 0.312610419935509 2.80676871630776 0.829324240290253 0.460224113860713 0.744303463839916 0.532091276361794 1.78676649246571 8.22052276761262 3.43649489545883 7.77635973528043 0.495027242065208 18.7782747103858 0.262742820902468 0.131214917861982 3.73665179987069 2.48088937209408 0.242699414800081 2.12584886934104 2.84047227816146 4.30416393834192 20.2133694089934 2.64815524064854 2.61773802316914 0.237572223389053 3.43330327028329 0.305539425836927 3.02776919814021 1.12255840674071 0.302191308072135 2.57448017691899 1.52971094171475 0.664932893506793 0.234302351918887 0.289857221103437 4.2262306288943 0.329145097457819 0.299086165643288 3.05482182495068 0.123270859844413 0.766821923788109 0.521120322210005 2.17329495146671 1.30635483459145 8.68974932358137 0.52953385799533 1.04822442684589 4.23230913051894 6.10363515811929 2.78822434448137 18.0271802918175 5.33008405299333 4.85345704484336 0.403903254634034 0.377274805104953 5.73451444055958 1.58225950589524 0.617705077360876 1.27494924286414 0.821351354690454 1.16627749430655 2.25972004299428 1.95044126791943 0.800439002895113 1.14899741787228 1.01033674734272 0.691635471104467 0.776256779629607 0.592085593209869 0.90442009200117 2.30573298246048 0.485225864106777 7.98603509552225 2.2341664504598 0.525642134394188 4.17461690202329 0.207208542848083 0.475655106806192 0.872730342677588 0.32051741391878 0.356321271049283 0.314850734897436 1.67977909835559 3.67624977864535 6.08100138784217 0.327287777516957 1.15051704327844 2.39548971884871 13.1050888919089 1.29174336862653 1.51000523014706 1.70065850434267 6.26107493935912 5.38250495216681 8.92246204025154 3.5182705097952 2.24456497119301 0.308891661827751 3.03394653718964 2.10191785786355 1.50181819679355 1.50759194969175 0.633201961922882 0.390864951013701 0.816561857814128 0.275258109816615 6.54106077266157 2.90689926407301 3.38310209494158 0.451110479649786 6.39355827083925 6.467632802494 0.67488252760241 1.31003241043888 0.705233853465281 11.2219559102721 2.93720117122348 0.683086033860054 2.13586027682715 0.860803960086153 21.042862496551 0.789488639873488 1.02118415471352 2.96326542378605 0.875744884133711 3.26248337266239 6.21657750707305 0.213064660266943 0.622906396840497 0.261873875209515 0.154491131400238 2.89742734419721 N-lactoyl valine 1.06407027184473 0.599080644999291 1.2768666935249 0.486504855127374 2.01129273276544 0.76301554689793 1.11223987599086 1.92085377925436 0.348554733316742 0.889726503605215 4.22193194005332 1.21242702801031 0.620675108781414 0.338411473300426 1.11217626439212 0.490702104651124 6.17008848708182 2.07530720496215 1.54649952068102 0.633421980374148 1.40055442530269 0.751402524152878 0.47069011888673 0.887255695191075 1.03379561481726 0.668291180419234 1.18441114073452 0.586863870062708 1.08528306603442 1.85006746177445 2.25363060409815 0.448718449484021 0.966204385182738 0.593091110781273 1.23222362713336 0.835888771213631 1.69989578269842 1.2835977855242 1.13480221094515 0.863191621761178 1.05193148768464 0.275421172189301 0.517412107238532 0.783338345599199 0.960215218500116 0.365083358079426 0.548483111816401 5.40908222574867 2.57260881818337 1.03469559784353 0.46879375881481 0.561071149586819 0.949851491921425 0.23781846014366 0.386286188401932 3.4245578330367 0.420402380920857 0.837343461262751 2.02875842706901 2.94939755086189 0.76886393053693 6.37791349774826 0.743633634258428 1.29376606525781 0.994868574606159 0.571484053113626 2.15039823870869 0.37107790196008 0.562947439299569 0.463834452739377 1.45064809543354 0.625869974888233 0.238646902577313 0.994298626386963 0.416209730857085 1.36997394252224 0.95466326715251 0.915253617500437 1.4738797901027 1.79318445327528 0.409331262857723 0.660905398052719 0.724831647761913 2.8437251159914 0.610103088753673 1.00598382582786 1.88936699810669 1.41665169291644 0.653132918355548 0.665659169703974 0.40115527999652 1.16821983861134 2.20468454563968 0.255530988097287 0.503440810183916 0.649138237031629 2.3917914846962 0.406062887229062 0.360581775905691 0.411027237094046 1.42365373375979 1.55694343831351 10.9626337155895 1.86573684406305 1.29459576863885 9.34765012997215 2.07215393141329 0.49037865619576 1.52170878546178 4.62409834380865 0.631995657297197 0.951758044371478 1.48978538044989 0.87372809813197 0.455657208930786 0.656801014306079 13.084724946394 1.10652294388343 0.791103259612044 0.519467451480321 0.518920200314102 0.875625823950309 2.54501046271095 0.947926025260559 0.658644519386751 0.903408277741315 0.334415856665589 0.697644361137854 0.370187673104434 0.592961769966629 5.95844295694684 0.413160760073866 0.312363147803839 0.547863986649089 0.386772914093546 0.238334187625188 0.820762003115801 1.44000317758742 1.75022775862189 1.38650370182629 0.951311668996267 0.390187559619169 0.896599161848272 2.48677108571983 0.923036184776708 0.57935993049658 3.68389940413931 1.10860602896774 2.27286144899247 1.24463955503689 3.21106052610508 0.330519529237902 1.25976461895116 0.397746939207835 0.679079432750208 2.28831057638536 9.71563366704306 0.313964550986092 2.59537270137172 0.812676808466505 0.679034038644255 1.03986043834314 0.501232891308227 1.55427527364135 9.3472894990193 0.581712858321843 9.16899910409688 0.421520841253659 7.74470985285374 0.505515068636519 0.389886193193532 6.54618188283403 1.53529171072102 0.433791120282402 0.786904304811334 1.04616139243898 2.62250072346856 26.0066426708379 1.00513142539384 1.36248643693466 0.352364181780697 2.76704186156185 0.401881585691778 2.16832008392866 1.13616907791331 0.388655508543234 2.57286857334521 1.11477962737744 0.478471530014646 0.38516772806913 0.416272778226465 4.58287040802366 0.658041786535478 0.458562431711818 4.02265039792347 0.300275706146299 1.3926356889722 1.13281495786229 1.36054709985253 0.865765215379271 6.61468158871805 0.420672223661804 1.39284374529115 2.81300087194512 3.61492306014278 2.31433779141282 2.61460214903263 14.9995176876242 2.04944552990999 0.587025229665805 0.598472110050444 3.67097217152163 2.22446250541419 0.543810040797953 0.589915321078186 1.12500591069088 1.17098509623235 1.61549300836197 1.28968437856415 0.717026383432664 1.26287915899853 1.26572511725235 0.526788512012731 1.34601594215782 0.767397448725151 1.34908256620447 1.63589639804074 0.507310657716462 4.36249211119791 2.05878915005211 0.966490953648204 4.22718489082402 0.51801231819503 0.855121558480533 1.08042763769703 0.294639271323724 0.452432966460691 0.409881035918717 0.902371778988708 5.39364570782966 3.57633680913481 0.308428991954525 1.58941031164945 1.92454490832597 15.6046034667227 1.43441591971296 0.55594665940361 0.263116847581093 1.89762115970592 4.80996072779361 5.40860054384661 5.94860882827094 3.38251154239715 1.48184015096062 0.347316609388132 1.42767111213668 1.16351902675037 1.05421001961404 0.417667386037151 0.91798482954198 0.539931366633693 1.14642688491144 0.191392899226976 0.473470612675421 4.40191941411341 2.40464684331279 0.774818124101181 0.815259228716311 3.40102098909974 3.03523528332542 1.12025592188179 1.04507445579087 0.982444459996129 3.10686844346763 1.6612628766371 0.586890308295332 1.69090901066698 0.902518048885669 12.687686659618 0.897554959968073 0.943009591396304 1.43979007747891 1.01761102168893 3.19341482836299 3.88069294102738 0.47223614518296 0.534229362546962 0.401456646422156 0.390786509628279 4.75177557154017 X-07765 13.1876909717483 11.4477742800562 0.097141750125477 0.0204238706547693 11.4537609490469 8.12989123929246 0.046707883313768 0.134058754722449 22.4195230615121 0.482836955540202 2.46232120844297 1.6326233821871 3.90976420829807 2.4592278598774 2.57230938525735 0.646736653765464 0.0981082903001577 1.96528277993965 5.04864148867137 0.558433417404653 0.272589529655616 1.14812110050128 0.193011405279063 4.63334789356193 0.140349928493877 0.851878899498722 0.772607904944108 1.26539796674808 0.300082111289147 0.343764372100642 0.211069063784301 1.97873349111581 1.9344060681297 3.54831881179918 4.51343727458075 0.904554660646819 0.370629936350512 1.18561207616366 0.285287231675853 0.0366950034815085 0.170013184467946 3.66597742749747 0.564296191143004 1.76824228602687 0.0417280224357462 0.538267219984148 0.457363318286924 0.525328335627052 3.04631610171206 0.0845500956812922 0.716981768067007 0.0698410833414392 0.748041832034309 2.04693535758415 2.58661059014218 0.115195075230439 0.120488123866584 0.625391609516316 0.340723633712559 0.340969217301027 0.390382561446458 2.97467696127388 1.28825734848696 0.288369064942895 1.02833360459887 2.4424087223586 0.448962433415548 4.37214870230743 2.12121235468434 0.0534881055681986 0.655026325597611 0.148133131344845 0.240663249041983 2.1844592779072 0.443851405556738 2.45108697222402 0.487397709620039 0.543771181584505 0.626188070801267 0.686502437055963 1.24713798812146 0.451414417008638 9.17155987953884 0.302663955937489 0.810344943819143 5.12455518070618 0.501640594678252 2.55344139653275 2.27924394925376 3.82153874008878 0.132848201413213 0.396931457138922 1.16653456516777 9.26157252468597 1.58235958637945 0.519892752202307 0.197457872783849 1.76160286148219 0.652474182423342 10.2662954341677 1.24034254576763 0.0615230227391142 0.127847926937438 21.7022872018206 1.40700231041188 7.30657403189505 0.158540097058487 7.66587919406208 2.42258097757677 0.492150474361555 1.05507813891941 2.83184265700255 0.982330501577995 0.163576005231412 0.12274845595338 1.06918619377219 0.435773150105505 21.6720505651793 1.23027361864047 0.225662425614657 0.645188535965476 7.24889655922947 1.07630233940037 1.12787200375984 0.482232749679056 1.86660766240058 0.0945169370814846 1.14936682772456 0.223080427180614 0.581873234566998 1.52199321418838 1.25525572956143 11.5677199152881 0.870731540541035 0.464444793290849 1.38838418518736 0.22678440553844 0.225501592441033 0.857475805201172 4.1083071778786 0.467216517085395 0.661254518015723 5.44772584781715 1.60659627887895 3.9938652256528 1.45304297327569 1.64848224526963 26.9246000599031 0.825991989159651 1.30673775428736 3.99376025070714 3.7904719346112 0.162369274892786 12.9283791579468 0.362048956847593 1 3.56296811361949 7.66793728084072 5.72070597095565 0.542988203320098 6.62525677931088 0.0747758688602899 6.37718846277194 0.914704485897242 0.50024028668754 0.0828175275414771 0.57793908178704 0.0595862831453576 0.36873268274549 1.42991381460654 4.24135088308969 0.13014967115876 1.05450511054632 2.07040255483978 10.2501938184203 1.15264320171658 1.10058911169045 0.7305158314738 3.50223384758216 1.68518784255299 6.02760744763532 0.472765743111862 21.3801913240615 0.0660369454024345 1.64283478580777 16.9051565812068 0.326526013080456 0.175763692729666 0.166712733653523 3.46731860281237 5.65801666693954 1.39110775533711 0.426354297183108 0.874054142032065 4.11522107819863 5.4825322653497 1.33820712423544 0.786489628186447 0.42196364785047 2.86401988552916 1.68615380466763 0.875255093933315 0.0598203098590735 1.00697361083958 0.516855220288479 0.563283038456464 2.9869185808543 1.3047066335498 0.197761240746073 13.8409841449309 4.16017250561712 3.09475481608678 0.532632280469941 1.1211035274471 2.12173530326684 0.0799196411975619 3.66002178470891 1.88553493402469 1.97389976144684 0.103262602049612 3.53366662076019 4.63169973698479 1.06609472977619 2.21743585693745 5.3813585684114 2.32272669050593 0.0985252464744309 1.0211442654306 0.664604085547839 0.433729509420297 0.554029834072171 0.40312979429726 1.26339947396958 1.86968371723024 0.12048908693948 3.21495498115748 0.31471199786583 0.0609191760333531 0.596249023684852 0.170203872901344 0.46921778256318 0.360986687443359 0.22042234598779 11.6181743412341 6.13748732355301 5.32645185646747 0.340666812411698 0.21901914877839 2.94732665410178 0.438199130730404 0.393308376904356 0.146309071279914 0.441610334927861 X-10458 1.27199103393747 0.598446291903676 1.15599259992784 0.937007269572961 1.36581228074216 0.85920671840576 0.618105612233148 0.882051754446568 0.984278684875143 1.32909594761609 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0.989393238766785 1.52385442816199 0.924460031468365 0.720713343479699 0.999262105443997 1.02680411434868 1.28815652749092 0.995703561646738 0.889741903404683 1.65326675380129 0.784655123220823 0.553573793618083 2.71213560307176 6.94123105030019 1.04263970992797 1.45623755512451 0.416384437765973 1.44644588357008 0.751334075516507 0.959651925677747 2.55474988401811 0.747937490114105 2.35502642419325 0.521107946783801 1.25838494180472 1.09877570048898 1.10123232174927 1.26830981278669 0.879219148628614 0.860907254600867 1.3429559828869 0.784425051482336 1.10673285265494 0.317611007721783 0.958321445032153 2.45096482551253 1.74231511200483 0.481403921966326 1.38298241086423 0.608414117020238 0.847635748001819 0.516785019908017 1.54359064788656 1.07721101589538 0.413320850932434 1.83439527081487 1.13087978978709 0.830224463739862 1.90370589566398 0.962803303043077 0.469779244653292 1.55272086319284 1.43567792075694 0.638314361244416 1.06722862697879 1.40832662921442 1.53521573387965 1.4224790683911 0.728196729499965 1.11246345529911 1.2672124311393 1.29223727358935 1.15824470399833 5.17423014893361 0.826413143756239 2.11309388213516 0.747598437025808 1.5834051676837 1.24780618272388 1.79357872805142 0.719033214336799 0.482153168746268 1.86301649780864 0.79187059675614 1.23926779669227 1.13222994762084 1.60330485943298 0.928589213722266 0.745736672299893 1.27838907401423 1.18596683485617 0.839898072165331 1.03362755775066 0.433393096485579 1.46208773452749 1.19377413766615 3.56480114309327 0.503870729955567 0.716649247309712 1.8712763759463 0.696262166746006 0.590168822706264 0.845282053571902 2.04673634913992 0.656791240926735 1.77590255856423 1.00042003228573 1.46390863124722 0.836076156772699 0.569185371978322 0.839528746479865 1.55310229791717 1.14623405107139 1.73075400714585 1.09091996152353 0.603599260440451 1.55125112860026 2.4591444812677 1.00754014713996 0.477494216041903 1.11626266624386 0.731888472724768 3.60025792252788 0.762925452972656 1.51112328742242 0.638321929393708 1.59445920654009 1.43309415458853 0.961786143778187 0.872545554582628 2.25658145182835 1.71240124511192 1.40399007966991 0.790529520701537 1.97527031537235 0.607772337960248 0.846411221446319 0.378875176243277 0.476405916173665 0.92419817350285 0.718261263108981 1.0960708439319 1.71809552063948 2.97976655286693 0.770814491794991 0.897191989568063 0.859372433924381 0.601348492840909 0.723565022133053 1.1026233475892 1.19656829838488 1.1778931331911 1.35111293419419 1.19302943177578 1.27852378707163 X-26277 0.565599342941526 0.774527491536607 0.944276844335992 0.596102232433445 2.68725819762678 1.53010213534097 0.667690100629417 1.05555671141837 1.48243369227828 0.826283726012957 0.337073375162358 1.28247867185418 1.39460661199766 1.73156704285048 1.47663093069083 0.544313303551702 0.750327687108596 0.8799243471274 2.75119557496084 1.36708981153161 1.69892316517511 0.524922548935104 1 2.51086494535576 9.26277484353746 2.84381387174084 0.80719613770091 0.904364901267849 0.999396639609569 0.76393153197067 0.774032121757929 1.45420851302872 1.14284086642156 0.795740216199186 1.37341271138667 0.93102586823099 1.52682893834784 1.40484068708675 4.33686380116536 0.269715914092743 1.88039643751425 0.930068049962901 1.48520701008768 2.56267506610068 0.817461523270939 0.788573343625291 0.815877622231445 0.741949551052428 0.96088478207595 0.705943333731008 1.07079391849979 2.91749337123819 1.4766260732544 0.545994480818653 0.690435379046893 1.62124575516221 0.821118091378854 2.16224788867011 1.20685237736408 0.941179149744248 0.648336241117323 2.19485993522321 0.756790635813906 2.43678280468087 0.875766076170685 6.72425744441986 0.781407041153896 1.92488842164941 1.40477474785893 0.591759703858091 2.24633264029166 0.957003204850408 0.990711066199926 2.29825400402365 0.578834255632791 1.96160025668714 1.5781099438055 0.562358965678632 1.65686245518937 1.30722887675924 0.846778647790373 2.52548058310671 0.848809168135854 1.50866845926196 1.72514286549451 3.39013963821117 0.579789354757464 2.41741978441951 1.52381136894256 0.848038290977576 0.867741883951718 0.887992024752363 0.977410376183295 0.637350901718941 0.706930382790813 1.02313005357052 2.42816312005392 0.856217474371224 0.866573332068932 1.87710423462401 0.778760634824818 0.851246200421943 0.81014838705511 1.78350044169086 0.499350974456027 2.10700577104201 5.5042716043592 0.709995537205869 0.647089513861343 0.802422620825987 1.18164591790294 2.62710516932956 1.43530596991336 0.680032616125268 0.912259699949322 0.826826932979573 1.06604221538131 2.69728150238112 0.921006504530943 1.90679252221965 0.87386335556573 1.0231259748554 0.983133493286945 0.710692317706076 0.688099634853029 3.00543318843698 1.52778947575935 1.12875381997163 0.737749154261425 0.886160681662063 1.40423091917584 2.06882016027311 0.67053600774684 4.32950647886903 0.756420152523552 0.710289204694737 1.39643445521792 0.736945647382162 1.19202556810554 1.09401948198279 1.32771286389362 0.81026463043612 0.868043708870832 0.757718543504425 0.845251168976749 0.884532594542067 1.19268224124036 0.605427478235806 0.640563569664284 0.903102984497824 0.691395916458397 0.646503538455316 0.71535428909185 1.14455408257291 1.3152503498348 0.828607971916687 1.03451170812171 2.49228120157588 1.12523388882034 0.946800298969818 0.868949183628173 0.771801667038849 1.57752056947021 0.642012873104715 1.5977170071884 0.809603878586168 0.996678226425112 0.71353518214692 1.00332177357489 0.965578023611002 0.883567298629586 1.54527152856307 2.25246294912177 0.831654772113689 0.603010839525333 0.571407595179367 0.623789173934427 0.602676384885234 2.76613701151863 8.96143812776099 0.727885461521911 0.568320687616987 0.700844939827056 1.75561834510892 2.03628153059223 0.827040385737685 2.1776973817708 1.0130087219924 1.75668085039851 1.55768645761212 1.97429253836456 1.25073731273174 1.4038794698894 0.85613590006876 1.8498699739608 1.18759268455251 1.25546386377363 0.581212146549594 3.50068709355179 0.49193790971968 1.18987200652051 0.827661030222259 1.01708403818629 0.835498961117269 1.2265518916231 0.607418571001763 0.834836169909755 0.783175164159786 1.58174815769536 1.13745507890105 0.602868084496022 1.03274426490167 2.30737537061075 0.632313008755982 1.60605662004355 0.731655553867421 1.45592727379021 1.05358038110834 1.35226197043407 2.08880110587563 1.39195058772586 1.26577485560499 1.23140692219137 3.01336289042226 0.611814746118678 0.833286258162954 1.01975015830513 0.833558172504498 2.77013823105445 5.36703439682431 0.994349280089786 1.20241881402521 1.04477375537158 0.571126843621722 0.607934528464843 0.787287868575641 0.713535861932774 4.64117537693276 0.904350391539657 0.935655209895779 0.580681913583583 0.535293291907184 0.962004389377258 0.858971286865212 0.635986571510243 1.929174471458 3.38909344778208 0.700371129086915 0.891885158337421 2.77364932498964 0.912779056341671 0.575357830776149 1.29340135270587 0.907280948355649 1.16450307824029 2.17127680438108 0.765993576703467 0.764934470343153 8.6122314548471 2.02608474278433 0.905321805524824 0.902650247119153 3.37614488683775 2.63373036226128 1.09802613980544 1.70833855918709 0.766261412329888 1.10160181339674 0.923127436394987 2.21780746629197 0.730060776254264 6.63809798637233 0.637081026734958 2.19197356448772 4.26845423154798 1.24513247836667 1.06935617141888 0.616805054071866 0.754993961802153 1.27275285739486 4.43350215815014 1.13471418233828 1.08214226354414 0.775450757502372 2.45355040255219 2.48323121250344 1.77356741079425 1.34196117539053 0.623377903492842 MS_METABOLITE_DATA_END #METABOLITES METABOLITES_START metabolite_name CHEM_ID LIB_ID COMP_ID CHRO_LIB_ENTRY_ID SUPER_PATHWAY SUB_PATHWAY PATHWAY_SORTORDER TYPE INCHIKEY SMILES PLOT_NAME LIPID SPECIES LEVEL LIPID MOLECULAR SPECIES LEVEL LIPID SN POSITION LEVEL CAS CHEMSPIDER HMDB KEGG PUBCHEM PLATFORM 12,13-DiHOME 62 209 38395 143675 Lipid Fatty Acid, Dihydroxy 2053 NAMED CQSLTKIXAJTQGA-FLIBITNWSA-N CCCCCC(C(C/C=CCCCCCCCC(O)=O)O)O 12,13-DiHOME 263399-35-5 8412123 HMDB0004705 C14829 10236635 Neg 5-hydroxyindoleacetate 71 209 437 123157 Amino Acid Tryptophan Metabolism 296 NAMED DUUGKQCEGZLZNO-UHFFFAOYSA-N OC1=CC=C(NC=C2CC(O)=O)C2=C1 5-hydroxyindoleacetate 54-16-0 1760 HMDB0000763 C05635 1826 Neg kynurenate 98 209 1417 124553 Amino Acid Tryptophan Metabolism 278 NAMED HCZHHEIFKROPDY-UHFFFAOYSA-N OC1=C(C=CC=C2)C2=NC(C(O)=O)=C1 kynurenate 492-27-3 3712 HMDB0000715 C01717 3845 Neg homovanillate (HVA) 117 209 1101 124537 Amino Acid Tyrosine Metabolism 216 NAMED QRMZSPFSDQBLIX-UHFFFAOYSA-N COC1=CC(CC(O)=O)=CC=C1O homovanillate (HVA) 306-08-1 5323114 HMDB0000118 C05582 1738 Neg cholate 136 209 22842 124689 Lipid Primary Bile Acid Metabolism 3485 NAMED BHQCQFFYRZLCQQ-OLRQUHAPSA-N O[C@H]1[C@@]2([H])[C@]3([H])CC[C@H]([C@H](C)CCC(O)=O)[C@@]3(C)[C@@H](O)C[C@]2([H])[C@@]4(C)CC[C@@H](O)CC4C1 cholate 81-25-4 HMDB0000619 C00695 221493 Neg 4-hydroxyphenylacetate 144 209 541 123169 Amino Acid Phenylalanine Metabolism 165 NAMED XQXPVVBIMDBYFF-UHFFFAOYSA-N OC(CC1=CC=C(C=C1)O)=O 4-hydroxyphenylacetate 156-38-7 3881560 HMDB0000020 C00642 127 Neg 5,6-dihydrothymine 158 209 1418 123205 Nucleotide Pyrimidine Metabolism, Thymine containing 4313 NAMED NBAKTGXDIBVZOO-UHFFFAOYSA-N O=C(NCC1C)NC1=O 5,6-dihydrothymine 696-04-8 84456 HMDB0000079 C00906 93556 Neg 9,10-DiHOME 179 209 38399 143740 Lipid Fatty Acid, Dihydroxy 2054 NAMED XEBKSQSGNGRGDW-YFHOEESVSA-N CCCCC/C=CCC(C(CCCCCCCC(O)=O)O)O 9,10-DiHOME 263399-34-4 8142232 HMDB0004704 C14828 9966640 Neg linoleate (18:2n6) 180 209 1105 125969 Lipid Long Chain Polyunsaturated Fatty Acid (n3 and n6) 1590 NAMED OYHQOLUKZRVURQ-HZJYTTRNSA-N OC(CCCCCCC/C=CC/C=CCCCCC)=O linoleate (18:2n6) 60-33-3 4444105 HMDB0006270,HMDB0000673 C01595 5280450 Neg laurate (12:0) 181 209 1645 125740 Lipid Medium Chain Fatty Acid 1525 NAMED POULHZVOKOAJMA-UHFFFAOYSA-N O=C(O)CCCCCCCCCCC laurate (12:0) 143-07-7 3756 HMDB0000638 C02679 3893 Neg N-formylkynurenine 186 209 64334 237350 Amino Acid Tryptophan Metabolism 272 NAMED BYHJHXPTQMMKCA-UHFFFAOYSA-N NC(C(O)=O)CC(C1=CC=CC=C1NC=O)=O N-formylkynurenine 1022-31-7 886 HMDB01200 C15605,C02406,C02700 910 Neg N-formylmethionine 194 209 2829 124831 Amino Acid Methionine, Cysteine, SAM and Taurine Metabolism 444 NAMED PYUSHNKNPOHWEZ-UHFFFAOYSA-N CSCCC(C(O)=O)NC=O N-formylmethionine 4289-98-9 388809 HMDB0001015 C03145 439750 Neg S-adenosylhomocysteine (SAH) 197 209 42382 124939 Amino Acid Methionine, Cysteine, SAM and Taurine Metabolism 453 NAMED ZJUKTBDSGOFHSH-UHFFFAOYSA-N OC1C(N2C=NC3=C2N=CN=C3N)OC(CSCCC(N)C(O)=O)C1O S-adenosylhomocysteine (SAH) 979-92-0 16788012 HMDB0000939 C00021 439155 Neg adenosine 3',5'-cyclic monophosphate (cAMP) 207 209 2831 123233 Nucleotide Purine Metabolism, Adenine containing 4175 NAMED IVOMOUWHDPKRLL-UHFFFAOYSA-N NC1=NC=NC2=C1N=CN2C3OC(CO4)C(OP4(O)=O)C3O adenosine 3',5'-cyclic monophosphate (cAMP) 60-92-4 268 HMDB0000058 C00575 6076 Neg adenosine 5'-diphosphate (ADP) 208 209 3108 126001 Nucleotide Purine Metabolism, Adenine containing 4171 NAMED XTWYTFMLZFPYCI-KQYNXXCUSA-N NC1=NC=NC2=C1N=CN2[C@@]3([H])[C@@](O)([H])[C@@](O)([H])[C@](COP(OP(O)(O)=O)(O)=O)([H])O3 ADP 20398-34-9 5800 HMDB0001341 C00008 6022 Neg adenosine 5'-diphosphoribose (ADP-ribose) 215 209 558 125963 Cofactors and Vitamins Nicotinate and Nicotinamide Metabolism 4359 NAMED SDMADEZQMYCSNO-UHFFFAOYSA-N NC1=NC=NC2=C1N=CN2C3OC(C(C3O)O)COP(O)(OP(O)(OC4OC(C(C4O)O)CO)=O)=O adenosine 5'-diphosphoribose (ADP-ribose) 68414-18-6 3674071 HMDB0001178 C00301 192 Neg arachidonate (20:4n6) 229 209 1110 125971 Lipid Long Chain Polyunsaturated Fatty Acid (n3 and n6) 1596 NAMED YZXBAPSDXZZRGB-DOFZRALJSA-N CCCCC/C=CC/C=CC/C=CC/C=CCCCC(O)=O arachidonate (20:4n6) 506-32-1 392692 HMDB0001043 C00219 444899 Neg 3-(4-hydroxyphenyl)lactate 240 209 32197 123321 Amino Acid Tyrosine Metabolism 187 NAMED JVGVDSSUAVXRDY-UHFFFAOYSA-N OC(C(O)=O)CC1=CC=C(O)C=C1 3-(4-hydroxyphenyl)lactate (HPLA) 6482-98-0 9010 HMDB0000755 C03672 9378 Neg phenylpyruvate 241 209 566 124529 Amino Acid Phenylalanine Metabolism 156 NAMED BTNMPGBKDVTSJY-UHFFFAOYSA-N O=C(C(O)=O)CC1=CC=CC=C1 phenylpyruvate 156-06-9 972 HMDB0000205 C00166 997 Neg carnosine 249 209 1768 124817 Amino Acid Histidine Metabolism 87 NAMED CQOVPNPJLQNMDC-ZETCQYMHSA-N OC([C@H](CC1=CNC=N1)NC(CCN)=O)=O carnosine 305-84-0 388363 HMDB0000033 C00386 439224 Neg corticosterone 272 209 5983 126005 Lipid Corticosteroids 3329 NAMED OMFXVFTZEKFJBZ-UHFFFAOYSA-N CC(C(CC1)=CC2=O)(CC2)C3C1C(CCC4C(CO)=O)C4(C)CC3O corticosterone 50-22-6 5550 HMDB0001547 C02140 5753 Neg cortisone 273 209 1769 124819 Lipid Corticosteroids 3347 NAMED MFYSYFVPBJMHGN-ZPOLXVRWSA-N O[C@@]1([C@@](CO)=O)[C@](C2)(C)[C@](CC1)([H])[C@@](CCC3=CC4=O)([H])[C@]([C@@]3(C)CC4)([H])C2=O cortisone 53-06-5 361685 HMDB0002802 C00762 222786 Neg deoxycholate 302 209 1114 125714 Lipid Secondary Bile Acid Metabolism 3512 NAMED KXGVEGMKQFWNSR-OHAQSFBXSA-N CC12[C@@]([C@]3([H])CC[C@]4([H])C[C@H](O)CC[C@]4(C)[C@@]3([H])C[C@@H]2O)([H])CC[C@]1([H])[C@]([H])(C)CCC(O)=O deoxycholate 83-44-3 389318 HMDB0000626 C04483 222528,440355 Neg behenate (22:0)* 314 209 12125 165436 Lipid Long Chain Saturated Fatty Acid 1542 NAMED UKMSUNONTOPOIO-UHFFFAOYSA-N CCCCCCCCCCCCCCCCCCCCCC(O)=O behenate (22:0)* 112-85-6 7923 HMDB0000944 C08281 8215 Neg flavin adenine dinucleotide (FAD) 327 209 2134 124607 Cofactors and Vitamins Riboflavin Metabolism 4366 NAMED VWWQXMAJTJZDQX-KUIMXZBMSA-N OC(C(O)C(O)COP(OP(OC[C@H]1O[C@@H](N(C=N2)C3=C2C(N)=NC=N3)[C@H](O)[C@@H]1O)(O)=O)(O)=O)CN(C(C=C(C)C(C)=C4)=C4N=C5C(N6)=O)C5=NC6=O FAD 146-14-5,84366-81-4 559059 HMDB0001248 C00016 643975 Neg glycocholate 342 209 18476 126842 Lipid Primary Bile Acid Metabolism 3486 NAMED RFDAIACWWDREDC-FRVQLJSFSA-N O=C(CNC(CC[C@H]([C@@H]1[C@@]2(C)[C@@H](O)C[C@]3([H])[C@@]4(C)CC[C@@H](O)C[C@@]4([H])C[C@@H](O)[C@@]3([H])[C@]2([H])CC1)C)=O)O glycocholate 475-31-0,863-57-0 9734 HMDB0000138 C01921 10140 Neg histidine 355 209 59 123153 Amino Acid Histidine Metabolism 73 NAMED HNDVDQJCIGZPNO-UHFFFAOYSA-N NC(C(O)=O)CC1=CN=CN1 histidine 5934-29-2 752 HMDB0000177 C00135 6274 Neg cortisol 356 209 1712 124815 Lipid Corticosteroids 3337 NAMED JYGXADMDTFJGBT-VWUMJDOOSA-N O[C@@]1([C@@](CO)=O)[C@]2(C)[C@](CC1)([H])[C@@](CCC3=CC4=O)([H])[C@]([C@@]3(C)CC4)([H])[C@@H](O)C2 cortisol 50-23-7 HMDB0000063 C00735 5754 Neg inosine 361 209 1123 123191 Nucleotide Purine Metabolism, (Hypo)Xanthine/Inosine containing 4152 NAMED UGQMRVRMYYASKQ-KQYNXXCUSA-N O[C@H]1[C@H](N2C(N=CN=C3O)=C3N=C2)O[C@H](CO)[C@H]1O inosine 58-63-9 21241953 HMDB0000195 C00294 6021 Neg leukotriene B4 399 209 37530 143741 Lipid Eicosanoid 2097 NAMED VNYSSYRCGWBHLG-XUOUMLBJSA-N CCCCC/C=C/CC(/C=C/C=C/C=C/C(CCCC(O)=O)O)O leukotriene B4 71160-24-2 4472397 HMDB0001085 C02165 5280492 Neg lithocholate 405 209 1483 125730 Lipid Secondary Bile Acid Metabolism 3527 NAMED SMEROWZSTRWXGI-UHFFFAOYSA-N O=C(CCC(C(CCC1C2CCC3CC4O)C1(CCC2C3(CC4)C)C)C)O lithocholate 434-13-9 9519 HMDB0000761 C03990 9903 Neg malate 409 209 1303 123199 Energy TCA Cycle 1470 NAMED BJEPYKJPYRNKOW-UHFFFAOYSA-N OC(C(O)=O)CC(O)=O malate 6915-15-7 510 HMDB0031518,HMDB0000156,HMDB0000744 C00149,C00711,C00497 525 Neg palmitate (16:0) 424 209 1336 125720 Lipid Long Chain Saturated Fatty Acid 1533 NAMED IPCSVZSSVZVIGE-UHFFFAOYSA-N OC(CCCCCCCCCCCCCCC)=O palmitate (16:0) 57-10-3 960 HMDB0000220 C00249 985 Neg pelargonate (9:0) 437 209 12035 125748 Lipid Medium Chain Fatty Acid 1515 NAMED FBUKVWPVBMHYJY-UHFFFAOYSA-N CCCCCCCCC(O)=O pelargonate (9:0) 112-05-0 4574394 HMDB0000847 C01601 8158 Neg stearate (18:0) 439 209 1358 125724 Lipid Long Chain Saturated Fatty Acid 1537 NAMED QIQXTHQIDYTFRH-UHFFFAOYSA-N CCCCCCCCCCCCCCCCCC(O)=O stearate (18:0) 57-11-4 5091 HMDB0000827 C01530 5281 Neg palmitoleate (16:1n7) 452 209 33447 126083 Lipid Long Chain Monounsaturated Fatty Acid 1552 NAMED SECPZKHBENQXJG-FPLPWBNLSA-N CCCCCCC=C/CCCCCCCC(O)=O palmitoleate (16:1n7) 373-49-9 393216 HMDB0003229 C08362 445638 Neg phytanate 466 209 598 143837 Xenobiotics Food Component/Plant 5035 NAMED RLCKHJSFHOZMDR-UHFFFAOYSA-N CC(CCCC(CCCC(CCCC(C)C)C)C)CC(O)=O phytanate 14721-66-5 10140204 HMDB0000801 C01607 26840 Neg pristanate 477 209 38271 151095 Lipid Fatty Acid, Branched 1675 NAMED PAHGJZDQXIOYTH-UHFFFAOYSA-N CC(C)CCCC(C)CCCC(C)CCCC(C)C(O)=O pristanate 1189-37-3 110458 HMDB0000795 123929 Neg riboflavin (vitamin B2) 500 209 1827 123225 Cofactors and Vitamins Riboflavin Metabolism 4365 NAMED AUNGANRZJHBGPY-UHFFFAOYSA-N OC(C(O)C(O)CO)CN1C(C=C2C)=C(C=C2C)N=C(C(N3)=O)C1=NC3=O riboflavin (vitamin B2) 83-88-5 431981 HMDB0000244 C00255 493570 Neg taurine 512 209 2125 124601 Amino Acid Methionine, Cysteine, SAM and Taurine Metabolism 478 NAMED XOAAWQZATWQOTB-UHFFFAOYSA-N NCCS(=O)(O)=O taurine 107-35-7 1091 HMDB0000251 C00245 1123 Neg myristate (14:0) 519 209 1365 125728 Lipid Long Chain Saturated Fatty Acid 1530 NAMED TUNFSRHWOTWDNC-UHFFFAOYSA-N OC(CCCCCCCCCCCCC)=O myristate (14:0) 544-63-8 10539 HMDB0000806 C06424 11005 Neg uridine 535 209 606 123185 Nucleotide Pyrimidine Metabolism, Uracil containing 4252 NAMED DRTQHJPVMGBUCF-UHFFFAOYSA-N OC1C(N(C=CC2=O)C(N2)=O)OC(CO)C1O uridine 58-96-8 5807 HMDB0000296 C00299 6029 Neg 2'-deoxyuridine 536 209 52602 165330 Nucleotide Pyrimidine Metabolism, Uracil containing 4268 NAMED MXHRCPNRJAMMIM-UHFFFAOYSA-N O=C(NC1=O)N(C=C1)C(CC2O)OC2CO 2'-deoxyuridine 951-78-0 13118 HMDB0000012 C00526 13712 Neg adenosine 798 209 555 124777 Nucleotide Purine Metabolism, Adenine containing 4179 NAMED OIRDTQYFTABQOQ-KQYNXXCUSA-N NC1=NC=NC2=C1N=CN2[C@@]3([H])[C@@](O)([H])[C@@](O)([H])[C@](CO)([H])O3 adenosine 58-61-7 54923 HMDB0000050 C00212 60961 Neg pseudouridine 821 209 33442 125870 Nucleotide Pyrimidine Metabolism, Uracil containing 4254 NAMED PTJWIQPHWPFNBW-GBNDHIKLSA-N O[C@]1([H])[C@@](O)([H])[C@](CO)([H])O[C@]1(C2=CNC(NC2=O)=O)[H] pseudouridine 1445-07-4 21403010 HMDB0000767 C02067 15047 Neg cytidine 827 209 514 123161 Nucleotide Pyrimidine Metabolism, Cytidine containing 4284 NAMED UHDGCWIWMRVCDJ-XVFCMESISA-N OC[C@@H]1[C@H]([C@H]([C@H](N2C(N=C(C=C2)N)=O)O1)O)O cytidine 65-46-3 5940 HMDB0000089 C00475 6175 Neg caprate (10:0) 888 209 1642 125736 Lipid Medium Chain Fatty Acid 1517 NAMED GHVNFZFCNZKVNT-UHFFFAOYSA-N CCCCCCCCCC(O)=O caprate (10:0) 334-48-5 2863 HMDB0000511 C01571 2969 Neg margarate (17:0) 891 209 1121 125718 Lipid Long Chain Saturated Fatty Acid 1535 NAMED KEMQGTRYUADPNZ-UHFFFAOYSA-N O=C(O)CCCCCCCCCCCCCCCC margarate (17:0) 506-12-7 10033 HMDB0002259 10465 Neg nonadecanoate (19:0) 892 209 1356 125722 Lipid Long Chain Saturated Fatty Acid 1539 NAMED ISYWECDDZWTKFF-UHFFFAOYSA-N CCCCCCCCCCCCCCCCCCC(O)=O nonadecanoate (19:0) 646-30-0 12071 HMDB0000772 C16535 12591 Neg arachidate (20:0) 893 209 1118 125716 Lipid Long Chain Saturated Fatty Acid 1540 NAMED VKOBVWXKNCXXDE-UHFFFAOYSA-N CCCCCCCCCCCCCCCCCCCC(O)=O arachidate (20:0) 506-30-9 10035 HMDB0002212 C06425 10467 Neg heptanoate (7:0) 925 209 1644 125738 Lipid Medium Chain Fatty Acid 1513 NAMED MNWFXJYAOYHMED-UHFFFAOYSA-N CCCCCCC(O)=O heptanoate (7:0) 111-14-8 7803 HMDB0000666 C17714 8094 Neg caproate (6:0) 926 209 32489 125850 Lipid Medium Chain Fatty Acid 1512 NAMED FUZZWVXGSFPDMH-UHFFFAOYSA-N CCCCCC(O)=O caproate (6:0) 142-62-1 8552 HMDB0000535 C01585 8892 Neg caprylate (8:0) 932 209 32492 125852 Lipid Medium Chain Fatty Acid 1514 NAMED WWZKQHOCKIZLMA-UHFFFAOYSA-N CCCCCCCC(O)=O caprylate (8:0) 124-07-2 370 HMDB0000482 C06423 379 Neg pentadecanoate (15:0) 980 209 1361 125726 Lipid Long Chain Saturated Fatty Acid 1532 NAMED WQEPLUUGTLDZJY-UHFFFAOYSA-N O=C(O)CCCCCCCCCCCCCC pentadecanoate (15:0) 10002-84-2,1002-84-2 13249 HMDB0000826 C16537 13849 Neg 5-oxoproline 1021 209 1494 123209 Amino Acid Glutathione Metabolism 588 NAMED ODHCTXKNWHHXJC-VKHMYHEASA-N O=C1CC[C@@H]([C@@](O)=O)N1 5-oxoproline 98-79-3 7127 HMDB0000267 C02237,C01879 439685,7405 Neg pantothenate 1024 209 1508 124797 Cofactors and Vitamins Pantothenate and CoA Metabolism 4370 NAMED GHOKWGTUZJEAQD-ZETCQYMHSA-N O=C(NCCC(O)=O)[C@H](O)C(C)(C)CO pantothenate (Vitamin B5) 137-08-6 6361 HMDB0000210 C00864 6613 Neg N-acetylleucine 1082 209 1587 126818 Amino Acid Leucine, Isoleucine and Valine Metabolism 342 NAMED WXNXCEHXYPACJF-ZETCQYMHSA-N O=C(O)[C@H](CC(C)C)NC(C)=O N-acetylleucine 1188-21-2 64075 HMDB0011756 C02710 70912 Neg N-acetylmethionine 1083 209 1589 124587 Amino Acid Methionine, Cysteine, SAM and Taurine Metabolism 442 NAMED XUYPXLNMDZIRQH-LURJTMIESA-N O=C(O)[C@H](CCSC)NC(C)=O N-acetylmethionine 65-82-7 395338 HMDB0011745 C02712 448580 Neg N-acetylvaline 1084 209 1591 124807 Amino Acid Leucine, Isoleucine and Valine Metabolism 423 NAMED IHYJTAOFMMMOPX-LURJTMIESA-N O=C(O)[C@@H](NC(C)=O)C(C)C N-acetylvaline 96-81-1 60154 HMDB0011757 66789 Neg erucate (22:1n9) 1087 209 1552 125983 Lipid Long Chain Monounsaturated Fatty Acid 1570 NAMED DPUOLQHDNGRHBS-KTKRTIGZSA-N OC(CCCCCCCCCCCC=C/CCCCCCCC)=O erucate (22:1n9) 112-86-7 7924 HMDB0002068 C08316 8216,5281116 Neg thyroxine 1094 209 2761 161549 Amino Acid Tyrosine Metabolism 251 NAMED XUIIKFGFIJCVMT-LBPRGKRZSA-N OC1=C(I)C=C(OC2=C(I)C=C(C[C@H](N)C(O)=O)C=C2I)C=C1I thyroxine 51-48-9 5614 HMDB0000248 C01829 5819 Neg guanosine 1099 209 1573 124583 Nucleotide Purine Metabolism, Guanine containing 4215 NAMED NYHBQMYGNKIUIF-UUOKFMHZSA-N O=C1C(N=CN2[C@@]3([H])[C@@](O)([H])[C@@](O)([H])[C@](CO)([H])O3)=C2N=C(N)N1 guanosine 118-00-3 6544 HMDB0000133 C00387 6802 Neg gamma-glutamyltyrosine 1102 209 2734 123231 Peptide Gamma-glutamyl Amino Acid 663 NAMED VVLXCWVSSLFQDS-QWRGUYRKSA-N OC(C=C1)=CC=C1C[C@@H](C(O)=O)NC(CC[C@@H](C(O)=O)N)=O gamma-glutamyltyrosine 7432-23-7 85142 HMDB0011741 94340 Neg vanillylmandelate (VMA) 1111 209 1567 124579 Amino Acid Tyrosine Metabolism 208 NAMED CGQCWMIAEPEHNQ-UHFFFAOYSA-N OC(C(O)=O)C1=CC=C(O)C(OC)=C1 vanillylmandelate (VMA) 55-10-7 1207 HMDB0000291 C05584 1245 Neg chenodeoxycholate 1123 209 1563 125732 Lipid Primary Bile Acid Metabolism 3488 NAMED RUDATBOHQWOJDD-LXEZOOAESA-N C[C@]12CC[C@]3([H])[C@@]4(C)CC[C@@H](O)C[C@@]4([H])C[C@@H](O)[C@@]3([H])[C@]1([H])CC[C@@]2(C(CCC(O)=O)C)[H] chenodeoxycholate 474-25-9,474-24-9 HMDB0000518 C02528 10133 Neg citrate 1124 209 1564 124575 Energy TCA Cycle 1458 NAMED KRKNYBCHXYNGOX-UHFFFAOYSA-N OC(CC(CC(O)=O)(O)C(O)=O)=O citrate 77-92-9 305 HMDB0000094 C00158 311 Neg 5,6-dihydrouracil 1125 209 1559 124573 Nucleotide Pyrimidine Metabolism, Uracil containing 4264 NAMED OIVLITBTBDPEFK-UHFFFAOYSA-N O=C(CCN1)NC1=O 5,6-dihydrouracil 504-07-4 629 HMDB0000076 C00429 649 Neg urate 1134 209 1604 124593 Nucleotide Purine Metabolism, (Hypo)Xanthine/Inosine containing 4164 NAMED LEHOTFFKMJEONL-UHFFFAOYSA-N O=C1NC(NC(NC2=O)=O)=C2N1 urate 120K5305,69-93-2 HMDB0000289 C00366 1175 Neg ursodeoxycholate 1135 209 1605 125991 Lipid Secondary Bile Acid Metabolism 3537 NAMED RUDATBOHQWOJDD-UZVSRGJWSA-N O[C@@H]1[C@@]2([H])[C@]3([H])CC[C@@]([C@@H](CCC(O)=O)C)([H])[C@@]3(C)CC[C@]2([H])[C@@]4(C)CC[C@@H](O)C[C@@]4([H])C1 ursodeoxycholate 128-13-2 29131 HMDB0000946 C07880 31401 Neg valerate (5:0) 1136 209 33443 126081 Lipid Short Chain Fatty Acid 1507 NAMED NQPDZGIKBAWPEJ-UHFFFAOYSA-N OC(CCCC)=O valerate (5:0) 109-52-4 7701 HMDB0000892 C00803 7991 Neg oleoyl ethanolamide 1137 209 38102 127707 Lipid Endocannabinoid 2182 NAMED BOWVQLFMWHZBEF-KTKRTIGZSA-N O=C(NCCO)CCCCCCC/C=CCCCCCCCC oleoyl ethanolamide 111-58-0,11-58-0 4446574 HMDB0002088 5283454 Neg 4-hydroxyphenylpyruvate 1141 209 1669 124595 Amino Acid Tyrosine Metabolism 181 NAMED KKADPXVIOXHVKN-UHFFFAOYSA-N OC1=CC=C(CC(C(O)=O)=O)C=C1 4-hydroxyphenylpyruvate 156-39-8 954 HMDB0000707 C01179 979 Neg butyrate/isobutyrate (4:0) 1143 209 40605 223227 Lipid Short Chain Fatty Acid 1506 NAMED FERIUCNNQQJTOY-UHFFFAOYSA-N OC(CCC)=O butyrate/isobutyrate (4:0) 109-92-6 259 HMDB0000039 C00246 264 Neg estrone 3-sulfate 1230 209 18474 124889 Lipid Estrogenic Steroids 3458 NAMED JKKFKPJIXZFSSB-DFGXFYAUSA-N C[C@@](CC1)(C2=O)[C@](CC2)([H])[C@@](CC3)([H])[C@]1([H])C(C=C4)=C3C=C4OS(O)(=O)=O estrone 3-sulfate 438-67-5 16740220 HMDB0001425 C02538 3001028 Neg dihomo-linoleate (20:2n6) 1231 209 17805 126039 Lipid Long Chain Polyunsaturated Fatty Acid (n3 and n6) 1593 NAMED XSXIVVZCUAHUJO-HZJYTTRNSA-N O=C(O)CCCCCCCCC/C=CC/C=CCCCCC dihomolinoleate (20:2n6) 2091-39-6 4944228 HMDB0005060 C16525 6439848 Neg 2-hydroxystearate 1239 209 17945 126830 Lipid Fatty Acid, Monohydroxy 1994 NAMED KIHBGTRZFAVZRV-QGZVFWFLSA-N OC([C@H](O)CCCCCCCCCCCCCCCC)=O 2-hydroxystearate 629-22-1 62625 HMDB0062549 C03042,C03045 439887,439885,69417 Neg glycerol 1254 209 15122 126021 Lipid Glycerolipid Metabolism 2867 NAMED PEDCQBHIVMGVHV-UHFFFAOYSA-N OC(CO)CO glycerol 56-81-5 733 HMDB0000131 C00116 753 Neg 4-acetamidophenol 1383 209 12032 126015 Xenobiotics Drug - Analgesics, Anesthetics 5417 NAMED RZVAJINKPMORJF-UHFFFAOYSA-N OC1=CC=C(NC(C)=O)C=C1 4-acetamidophenol 103-90-2 1906 HMDB0001859 C06804 1983 Neg naproxen 1384 209 12122 124623 Xenobiotics Drug - Analgesics, Anesthetics 5433 NAMED CMWTZPSULFXXJA-VIFPVBQESA-N COC1=CC=C2C(C=CC([C@H](C)C(O)=O)=C2)=C1 naproxen 22204-53-1 137720 HMDB0001923 C01517 156391 Neg topiramate 1388 209 2772 152418 Xenobiotics Drug - Neurological 5853 NAMED KJADKKWYZYXHBB-UHFFFAOYSA-N CC1(OC2COC3(OC(C)(OC3C2O1)C)COS(N)(=O)=O)C topiramate 97240-79-4 4447672 HMDB0005034 D00537 5284627 Neg beta-hydroxyisovalerate 1442 209 12129 126017 Amino Acid Leucine, Isoleucine and Valine Metabolism 369 NAMED AXFYFNCPONWUHW-UHFFFAOYSA-N CC(C)(O)CC(O)=O beta-hydroxyisovalerate 625-08-1 62571 HMDB0000754 69362 Neg ibuprofen 1487 209 17799 124883 Xenobiotics Drug - Analgesics, Anesthetics 5437 NAMED HEFNNWSXXWATRW-UHFFFAOYSA-N CC(C1=CC=C(CC(C)C)C=C1)C(O)=O ibuprofen 15687-27-1 3544 HMDB0001925 C01588 3672 Neg N-linoleoylglycine 1506 209 32462 143855 Lipid Fatty Acid Metabolism (Acyl Glycine) 1850 NAMED YCRHZEHWEYAHCO-HZJYTTRNSA-N O=C(O)CNC(CCCCCCC/C=CC/C=CCCCCC)=O N-linoleoylglycine 2764-03-6 4938516 6433346 Neg glycochenodeoxycholate 1628 209 32346 124921 Lipid Primary Bile Acid Metabolism 3493 NAMED GHCZAUBVMUEKKP-AZDOMVTHSA-N O=C(NCC(O)=O)CC[C@@H](C)[C@@H]1[C@](CC[C@H]2[C@@]3([H])[C@H](O)C[C@@]4([H])C2(C)CC[C@@H](O)C4)(C)[C@]3([H])CC1 glycochenodeoxycholate 16564-43-5 HMDB0000637 C05466 12544 Neg taurochenodeoxycholate 1629 209 18494 124667 Lipid Primary Bile Acid Metabolism 3494 NAMED BHTRKEVKTKCXOH-BJLOMENOSA-N C[C@@]12[C@@]([H])(CC[C@@]2([C@@H](CCC(NCCS(O)(=O)=O)=O)C)[H])[C@@]([C@@H](C[C@]3([H])C[C@H](O)CC4)O)([H])[C@]([C@]34C)([H])CC1 taurochenodeoxycholate 6009-98-9 343282 HMDB0000951 C05465 387316 Neg taurocholate 1648 209 18497 125762 Lipid Primary Bile Acid Metabolism 3487 NAMED WBWWGRHZICKQGZ-HGVCTONRSA-N C[C@@]12[C@@]([H])(CC[C@]2([H])[C@@H](CCC(NCCS(O)(=O)=O)=O)C)[C@@]([C@H](O)C[C@@]3([H])[C@@]4(CC[C@@H](O)C3)C)([H])[C@@]4([H])C[C@@H]1O taurocholate 145-42-6 HMDB0000036 C05122 6675,46783527 Neg taurodeoxycholate 1668 209 12261 124839 Lipid Secondary Bile Acid Metabolism 3522 NAMED AWDRATDZQPNJFN-RZGBOAIJSA-N C[C@@]12[C@@]([H])(CC[C@]2([H])[C@@H](CCC(NCCS(O)(=O)=O)=O)C)[C@@](CC[C@@]3([H])[C@@]4(CC[C@@H](O)C3)C)([H])[C@@]4([H])C[C@@H]1O taurodeoxycholate 207737-97-1 2015539 HMDB0000896 C05463 2733768 Neg 2-hydroxyhippurate (salicylurate) 1869 209 18281 124655 Xenobiotics Benzoate Metabolism 4500 NAMED ONJSZLXSECQROL-UHFFFAOYSA-N O=C(C1=CC=CC=C1O)NCC(O)=O 2-hydroxyhippurate (salicylurate) 487-54-7 9835 HMDB0000840 C07588 10253 Neg azelate (C9-DC) 2029 209 18362 124661 Lipid Fatty Acid, Dicarboxylate 1702 NAMED BDJRBEYXGGNYIS-UHFFFAOYSA-N O=C(O)CCCCCCCC(O)=O azelate (C9-DC) 123-99-9 2179 HMDB0000784 C08261 2266 Neg 3-(N-acetyl-cystein-S-yl) acetaminophen 2048 209 45721 145263 Xenobiotics Drug - Analgesics, Anesthetics 5419 NAMED DVPRQNKJGQEICH-JTQLQIEISA-N O=C(C)NC1=CC(SC[C@@H](C(O)=O)NC(C)=O)=C(O)C=C1 3-(N-acetyl-cystein-S-yl) acetaminophen 52372-86-8 75765 83967 Neg 4-acetaminophen sulfate 2049 209 37475 127693 Xenobiotics Drug - Analgesics, Anesthetics 5420 NAMED IGTYILLPRJOVFY-UHFFFAOYSA-N CC(NC1=CC=C(OS(=O)(O)=O)C=C1)=O 4-acetaminophen sulfate 32113-41-0,10066-90-7 75741 HMDB0059911 C06804 83939 Neg eicosapentaenoate (EPA; 20:5n3) 2050 209 18467 126840 Lipid Long Chain Polyunsaturated Fatty Acid (n3 and n6) 1583 NAMED JAZBEHYOTPTENJ-JLNKQSITSA-N O=C(O)CCCC=C/C/C=CC/C=CC/C=CC/C=CCC eicosapentaenoate (EPA; 20:5n3) 10-2005-9,10417-94-4 393682 HMDB0001999 C06428 446284 Neg benzoate 100000008 209 15778 124867 Xenobiotics Benzoate Metabolism 4511 NAMED WPYMKLBDIGXBTP-UHFFFAOYSA-N OC(C1=CC=CC=C1)=O benzoate 65-85-0 238 HMDB0001870 C00180 243 Neg phenylacetate 100000011 209 57745 213340 Amino Acid Phenylalanine Metabolism 161 NAMED WLJVXDMOQOGPHL-UHFFFAOYSA-N O=C(O)CC1=CC=CC=C1 phenylacetate 103-82-2 10181341 HMDB0000209 C07086 999 Neg hippurate 100000014 209 15753 124647 Xenobiotics Benzoate Metabolism 4496 NAMED QIAFMBKCNZACKA-UHFFFAOYSA-N O=C(C1=CC=CC=C1)NCC(O)=O hippurate 495-69-2 451 HMDB0000714 C01586 464 Neg suberate (C8-DC) 100000016 209 15730 123269 Lipid Fatty Acid, Dicarboxylate 1699 NAMED TYFQFVWCELRYAO-UHFFFAOYSA-N OC(CCCCCCC(O)=O)=O suberate (C8-DC) 505-48-6 10025 HMDB0000893 C08278 10457 Neg 3-methyl-2-oxovalerate 100000036 209 15676 123263 Amino Acid Leucine, Isoleucine and Valine Metabolism 400 NAMED JVQYSWDUAOAHFM-UHFFFAOYSA-N CCC(C)C(C(O)=O)=O 3-methyl-2-oxovalerate 51829-07-3,1460-34-0 46 HMDB0000491 C03465,C06008,C00671 439286,440877 Neg 3-methylhistidine 100000042 209 15677 123265 Amino Acid Histidine Metabolism 75 NAMED JDHILDINMRGULE-LURJTMIESA-N N[C@H](C(O)=O)CC1=CN=CN1C 3-methylhistidine 368-16-1 58494 HMDB0000479 C01152 64969 Neg 4-acetamidophenylglucuronide 100000043 209 15736 126033 Xenobiotics Drug - Analgesics, Anesthetics 5421 NAMED IPROLSVTVHAQLE-UHFFFAOYSA-N OC1C(C(O)=O)OC(OC2=CC=C(NC(C)=O)C=C2)C(O)C1O 4-acetamidophenylglucuronide 120595-80-4 3239926 HMDB0010316 4022661,83944 Neg maltotetraose 100000275 209 15910 126826 Carbohydrate Glycogen Metabolism 1313 NAMED LUEWUZLMQUOBSB-ZLBHSGTGSA-N O[C@H]1[C@H](O)[C@@H](CO)O[C@H](O[C@H]2[C@H](O)[C@@H](O)[C@@H](O[C@@H]3[C@@H](CO)O[C@H](O[C@@H]4[C@@H](CO)O[C@H](O)[C@H](O)[C@H]4O)[C@H](O)[C@H]3O)O[C@@H]2CO)[C@@H]1O maltotetraose 34612-38-9 393830 HMDB0001296 C02052 439639 Neg tartarate 100000295 209 15336 123251 Xenobiotics Food Component/Plant 5109 NAMED FEWJPZIEWOKRBE-JCYAYHJZSA-N OC([C@H](O)[C@@H](O)C(O)=O)=O tartarate 87-69-4,6106-24-7 852 HMDB0000956,HMDB0062642 C00552,C02107,C00898 444305,875 Neg xanthosine 100000299 209 15136 124851 Nucleotide Purine Metabolism, (Hypo)Xanthine/Inosine containing 4156 NAMED UBORTCNDUKBEOP-UUOKFMHZSA-N OC1=C(N=CN2[C@@]3([H])[C@@](O)([H])[C@@](O)([H])[C@](CO)([H])O3)C2=NC(O)=N1 xanthosine 146-80-5 58484 HMDB0000299 C01762 64959 Neg glycodeoxycholate 100000436 209 18477 123291 Lipid Secondary Bile Acid Metabolism 3520 NAMED WVULKSPCQVQLCU-BUXLTGKBSA-N O=C(NCC(O)=O)CC[C@@H](C)[C@@H]1[C@@]2(C)[C@@H](O)C[C@]3([H])[C@@]4(C)CC[C@@H](O)C[C@@]4([H])CC[C@@]3([H])[C@@]2(CC1)[H] glycodeoxycholate 360-65-6 HMDB00631 C05464 3035026 Neg theophylline 100000437 209 18394 125760 Xenobiotics Xanthine Metabolism 4628 NAMED ZFXYFBGIUFBOJW-UHFFFAOYSA-N O=C(N1C)C(N=CN2)=C2N(C)C1=O theophylline 58-55-9 2068 HMDB0001889 C07130 2153 Neg paraxanthine 100000453 209 18254 124653 Xenobiotics Xanthine Metabolism 4626 NAMED QUNWUDVFRNGTCO-UHFFFAOYSA-N O=C(N2C)NC1=C(N(C)C=N1)C2=O paraxanthine 611-59-6 4525 HMDB0001860 C13747 4687 Neg 3-indoxyl sulfate 100000467 209 27672 123315 Amino Acid Tryptophan Metabolism 328 NAMED BXFFHSIDQOFMLE-UHFFFAOYSA-N O=S(OC2=CNC1=CC=CC=C12)(O)=O 3-indoxyl sulfate 2642-37-7 9840 HMDB0000682 10258 Neg 4-methyl-2-oxopentanoate 100000551 209 22116 124905 Amino Acid Leucine, Isoleucine and Valine Metabolism 349 NAMED BKAJNAXTPSGJCU-UHFFFAOYSA-N CC(C)CC(C(O)=O)=O 4-methyl-2-oxopentanoate 816-66-0 69 HMDB0000695 C00233 70 Neg 1,5-anhydroglucitol (1,5-AG) 100000580 209 20675 123293 Carbohydrate Glycolysis, Gluconeogenesis, and Pyruvate Metabolism 1238 NAMED MPCAJMNYNOGXPB-SLPGGIOYSA-N O[C@@H]1[C@@H](CO)OC[C@H](O)[C@H]1O 1,5-anhydroglucitol (1,5-AG) 154-58-5 HMDB0002712 C07326 64960 Neg 2-arachidonoylglycerol (20:4) 100000584 209 19266 125764 Lipid Monoacylglycerol 2900 NAMED RCRCTBLIHCHWDZ-DOFZRALJSA-N CCCCCC=C/CC=C/CC=C/C/C=CCCCC(OC(CO)CO)=O 2-arachidonoylglycerol (20:4) MG 20:4 MG 20:4 MG 0:0/20:4/0:0 53847-30-6 4445451 HMDB0004666 C13856 5282280 Neg 1-oleoyl-GPS (18:1) 100000630 209 19260 126848 Lipid Lysophospholipid 2726 NAMED JZWNYZVVZXZRRH-YFKVPUFHSA-N CCCCCCCCC=C/CCCCCCCC(OC[C@]([H])(COP(O)(OC[C@]([NH3+])(C([O-])=O)[H])=O)O)=O 1-oleoyl-GPS (18:1) LPS 18:1 LPS 18:1 LPS 18:1/0:0 326589-90-6 7826049 HMDB0061694 85036846 Neg 1-stearoyl-GPI (18:0) 100000656 209 19324 128173 Lipid Lysophospholipid 2744 NAMED MXAFDFDAIFZFET-CLBYPKMISA-N [H]C(C(O)(C(O)([C@](O)1[H])[H])[H])([C@@](OP(O)(OC[C@@]([H])(COC(CCCCCCCCCCCCCCCCC)=O)O)=O)([C@]1(O)[H])[H])O 1-stearoyl-GPI (18:0) LPI 18:0 LPI 18:0 LPI 18:0/0:0 796963-93-4 21403067 HMDB0240261 71581135,42607495 Neg docosahexaenoate (DHA; 22:6n3) 100000665 209 44675 126139 Lipid Long Chain Polyunsaturated Fatty Acid (n3 and n6) 1586 NAMED MBMBGCFOFBJSGT-KUBAVDMBSA-N CCC=C/CC=C/CC=C/C/C=CC/C=CC/C=CCCC(O)=O docosahexaenoate (DHA; 22:6n3) 6217-54-5 393183 HMDB0002183 C06429 445580 Neg ofloxacin 100000673 209 21320 127565 Xenobiotics Drug - Antibiotic 5521 NAMED GSDSWSVVBLHKDQ-UHFFFAOYSA-N FC1=C(N2CCN(C)CC2)C3=C4C(C(C(C(O)=O)=CN4C(C)CO3)=O)=C1 ofloxacin 82419-36-1 4422 HMDB0015296 D00453,C07321,DG00616 4583 Neg ciprofloxacin 100000687 209 57614 212170 Xenobiotics Drug - Antibiotic 5522 NAMED MYSWGUAQZAJSOK-UHFFFAOYSA-N OC(C1=CN(C2CC2)C3=CC(N4CCNCC4)=C(F)C=C3C1=O)=O ciprofloxacin 85721-33-1 2662 HMDB0014677 C05349 2764 Neg estriol 3-sulfate 100000701 209 21294 151441 Lipid Estrogenic Steroids 3481 NAMED ZORQMBLUMWNJEQ-ZXXIGWHRSA-N O[C@@H]1[C@]2(C)[C@](C[C@H]1O)([H])[C@]3([H])CCC4=C(C=CC(OS(O)(=O)=O)=C4)[C@]([H])3CC2 estriol 3-sulfate 50-27-1 19969643 HMDB00153 C05141 66415 Neg alpha-hydroxyisocaproate 100000706 209 22132 124683 Amino Acid Leucine, Isoleucine and Valine Metabolism 353 NAMED LVRFTAZAXQPQHI-UHFFFAOYSA-N OC(C(CC(C)C)O)=O alpha-hydroxyisocaproate 10303-64-7 75520 HMDB0000665,HMDB00746,HMDB0000624 C03264 83697,92779,439960 Neg isovalerate (i5:0) 100000708 209 44656 126996 Amino Acid Leucine, Isoleucine and Valine Metabolism 357 NAMED GWYFCOCPABKNJV-UHFFFAOYSA-N CC(C)CC(O)=O isovalerate (C5) 503-74-2 10001 HMDB0000718 C08262 10430 Neg 4-acetylphenol sulfate 100000711 209 44620 126992 Xenobiotics Benzoate Metabolism 4552 NAMED HOFGLAYWQRGTKC-UHFFFAOYSA-N O=S(OC1=CC=C(C(C)=O)C=C1)(O)=O 4-acetylphenyl sulfate 3872009 4684006 Neg lorazepam 100000732 209 64535 238555 Xenobiotics Drug - Psychoactive 5963 NAMED DIWRORZWFLOCLC-UHFFFAOYSA-N O=C(N1)C(O)N=C(C2=CC=CC=C2Cl)C3=C1C=CC(Cl)=C3 lorazepam 846-49-1 3821 HMDB0014332 D00365 3958 Neg 2-hydroxyoctanoate 100000743 209 22036 126061 Lipid Fatty Acid, Monohydroxy 1983 NAMED JKRDADVRIYVCCY-UHFFFAOYSA-N O=C(C(CCCCCC)O)O 2-hydroxyoctanoate 617-73-2 84994 HMDB0002264 94180,6995013,5312860 Neg ethacrynic acid 100000755 209 27522 238463 Xenobiotics Drug - Cardiovascular 5715 NAMED AVOLMBLBETYQHX-UHFFFAOYSA-N OC(COC1=CC=C(C(C(CC)=C)=O)C(Cl)=C1Cl)=O ethacrynic acid 58-54-8 3163 HMDB15039 D00313 3278 Neg levulinate (4-oxovalerate) 100000765 209 22177 128187 Xenobiotics Food Component/Plant 4782 NAMED JOOXCMJARBKPKM-UHFFFAOYSA-N CC(CCC(O)=O)=O levulinate (4-oxovalerate) 123-76-2 11091 HMDB0000720 11579 Neg 3-hydroxyoctanoate 100000773 209 22001 126860 Lipid Fatty Acid, Monohydroxy 2003 NAMED NDPLAKGOSZHTPH-UHFFFAOYSA-N OC(CC(O)=O)CCCCC 3-hydroxyoctanoate 88930-08-9 24791 HMDB0001954 C20793 26613 Neg phenyllactate (PLA) 100000774 209 22130 124681 Amino Acid Phenylalanine Metabolism 157 NAMED VOXXWSYKYCBWHO-UHFFFAOYSA-N OC(C(O)=O)CC1=CC=CC=C1 phenyllactate (PLA) 828-01-3 3715 HMDB0000779,HMDB0000563 C05607 3848 Neg dehydroepiandrosterone sulfate (DHEA-S) 100000792 209 32425 124935 Lipid Androgenic Steroids 3369 NAMED CZWCKYRVOZZJNM-DYIPZHMLSA-N [H][C@@]1(CC[C@]2(C)[C@]3(CCC2=O)[H])[C@@]4(C)C(C[C@H](OS(=O)(O)=O)CC4)=CC[C@]13[H] dehydroepiandrosterone sulfate (DHEA-S) 651-48-9 12074 HMDB0001032 C04555 12594 Neg 1-palmitoylglycerol (16:0) 100000827 209 21127 126053 Lipid Monoacylglycerol 2878 NAMED QHZLMUACJMDIAE-UHFFFAOYSA-N O=C(CCCCCCCCCCCCCCC)OCC(O)CO 1-palmitoylglycerol (16:0) MG 16:0 MG 16:0 MG 16:0/0:0/0:0 542-44-9 14201 HMDB0011564 14900 Neg tartronate (hydroxymalonate) 100000840 209 20693 143841 Xenobiotics Food Component/Plant 5242 NAMED ROBFUDYVXSDBQM-UHFFFAOYSA-N O=C(C(O)C(O)=O)O tartronate (hydroxymalonate) 80-69-3 44 HMDB0035227 C02287 45 Neg oxalate (ethanedioate) 100000841 209 20694 143843 Cofactors and Vitamins Ascorbate and Aldarate Metabolism 4390 NAMED MUBZPKHOEPUJKR-UHFFFAOYSA-N O=C(O)C(O)=O oxalate (ethanedioate) 144-62-7 946 HMDB0002329 C00209 971 Neg saccharin 100000870 209 21151 124899 Xenobiotics Food Component/Plant 5077 NAMED CVHZOJJKTDOEJC-UHFFFAOYSA-N O=S(C1=CC=CC=C1C2=O)(N2)=O saccharin 81-07-2 4959 HMDB0029723 C12283 5143 Neg 3-hydroxymyristate 100000882 209 21158 152464 Lipid Fatty Acid, Monohydroxy 2009 NAMED ATRNZOYKSNPPBF-UHFFFAOYSA-N CCCCCCCCCCCC(O)CC(O)=O 3-hydroxymyristate 3422-31-9 15252 HMDB0061656 16064 Neg 1-oleoylglycerol (18:1) 100000924 209 21184 126057 Lipid Monoacylglycerol 2882 NAMED RZRNAYUHWVFMIP-KTKRTIGZSA-N O=C(OCC(O)CO)CCCCCCC/C=CCCCCCCCC 1-oleoylglycerol (18:1) MG 18:1 MG 18:1 MG 18:1/0:0/0:0 111-03-5 4446588 HMDB0011567 5283468 Neg 3-methyl-2-oxobutyrate 100000936 209 44526 124713 Amino Acid Leucine, Isoleucine and Valine Metabolism 429 NAMED QHKABHOOEWYVLI-UHFFFAOYSA-N OC(C(C(C)C)=O)=O 3-methyl-2-oxobutyrate 3715-29-5 48 HMDB0000019 C00141 49 Neg 2-oleoylglycerol (18:1) 100000943 209 21232 126858 Lipid Monoacylglycerol 2898 NAMED UPWGQKDVAURUGE-KTKRTIGZSA-N O=C(OC(CO)CO)CCCCCCC/C=CCCCCCCCC 2-oleoylglycerol (18:1) MG 18:1 MG 18:1 MG 0:0/18:1/0:0 3443-84-3 4478086 HMDB0011537 5319879 Neg 8-hydroxyoctanoate 100000956 209 21239 128183 Lipid Fatty Acid, Monohydroxy 2024 NAMED KDMSVYIHKLZKET-UHFFFAOYSA-N OCCCCCCCC(O)=O 8-hydroxyoctanoate 764-89-6 63018 HMDB0061914 69820 Neg homocitrulline 100000963 209 22138 123305 Amino Acid Urea cycle; Arginine and Proline Metabolism 502 NAMED XIGSAGMEBXLVJJ-YFKPBYRVSA-N N[C@H](C(O)=O)CCCCNC(N)=O homocitrulline 1190-49-4 58582 HMDB0000679 C02427 65072 Neg 3-hydroxypalmitate 100000983 209 27503 127569 Lipid Fatty Acid, Monohydroxy 2010 NAMED CBWALJHXHCJYTE-UHFFFAOYSA-N OC(CC(O)=O)CCCCCCCCCCCCC 3-hydroxypalmitate 928-17-6 266538 HMDB0010734 15569776 Neg dapson 100000984 209 27605 235115 Xenobiotics Drug - Antibiotic 5570 NAMED MQJKPEGWNLWLTK-UHFFFAOYSA-N O=S(C1=CC=C(N)C=C1)(C2=CC=C(N)C=C2)=O dapson 80-08-0 2849 HMDB0014395 C07666,D00592 2955 Neg 2-linoleoylglycerol (18:2) 100000987 209 32506 125864 Lipid Monoacylglycerol 2899 NAMED IEPGNWMPIFDNSD-HZJYTTRNSA-N O=C(OC(CO)CO)CCCCCCC/C=CC/C=CCCCCC 2-linoleoylglycerol (18:2) MG 18:2 MG 18:2 MG 0:0/18:2/0:0 3443-82-1 4517636 HMDB0011538 5365676 Neg 3-hydroxydecanoate 100000997 209 22053 123301 Lipid Fatty Acid, Monohydroxy 2005 NAMED FYSSBMZUBSBFJL-UHFFFAOYSA-N OC(CC(O)=O)CCCCCCC 3-hydroxydecanoate 5561-87-5 24790 HMDB0002203 26612 Neg EDTA 100001002 209 22163 124685 Xenobiotics Chemical 6199 NAMED KCXVZYZYPLLWCC-UHFFFAOYSA-N O=C(CN(CCN(CC(O)=O)CC(O)=O)CC(O)=O)O EDTA 60-00-4 5826 HMDB0015109 C00284 6049 Neg indoleacetate 100001034 209 27513 126866 Amino Acid Tryptophan Metabolism 305 NAMED SEOVTRFCIGRIMH-UHFFFAOYSA-N OC(CC1=CNC2=C1C=CC=C2)=O indoleacetate 87-51-4,6505-45-9 780 HMDB0000197 C00954 802 Neg 1-linoleoylglycerol (18:2) 100001040 209 27447 126071 Lipid Monoacylglycerol 2883 NAMED WECGLUPZRHILCT-HZJYTTRNSA-N CCCCC/C=CC/C=CCCCCCCCC(OCC(O)CO)=O 1-linoleoylglycerol (18:2) MG 18:2 MG 18:2 MG 18:2/0:0/0:0 2277-28-3 4446589 HMDB0011568 5283469 Neg 2-palmitoylglycerol (16:0) 100001048 209 33419 125868 Lipid Monoacylglycerol 2895 NAMED BBNYCLAREVXOSG-UHFFFAOYSA-N OCC(CO)OC(CCCCCCCCCCCCCCC)=O 2-palmitoylglycerol (16:0) MG 16:0 MG 16:0 MG 0:0/16:0/0:0 23470-00-0 110006 HMDB0011533 123409 Neg 1-methylhistidine 100001051 209 30460 124693 Amino Acid Histidine Metabolism 74 NAMED BRMWTNUJHUMWMS-LURJTMIESA-N N[C@H](C(O)=O)CC1=CN(C)C=N1 1-methylhistidine 332-80-9 83153 HMDB0000001 C01152 92105 Neg 7-ketodeoxycholate 100001063 209 31904 125786 Lipid Secondary Bile Acid Metabolism 3570 NAMED RHCPKKNRWFXMAT-RRWYKFPJSA-N [H][C@]1([C@]2(C)[C@](CC1)([H])[C@]3([H])C(C[C@]4([H])C[C@H](O)CC[C@]4(C)[C@@]3([H])C[C@@H]2O)=O)[C@H](C)CCC(O)=O 7-ketodeoxycholate 911-40-0 163659 HMDB0000391 188292 Neg glycolithocholate 100001064 209 31912 151471 Lipid Secondary Bile Acid Metabolism 3532 NAMED XBSQTYHEGZTYJE-PGVYWSLXSA-N O[C@@H](C[C@]1(CC[C@]([C@@]([H])2CC3)([H])[C@](CC[C@@]2(C)[C@]3([H])[C@@H](CCC(NCC(O)=O)=O)C)4[H])[H])CC[C@@]14C glycolithocholate 474-74-8 103116 HMDB0000698 C15557 115245 Neg androsterone sulfate 100001073 209 31591 126075 Lipid Androgenic Steroids 3382 NAMED ZMITXKRGXGRMKS-HLUDHZFRSA-N C[C@]1([C@](CC2)([H])[C@]3([H])CC[C@@]4([H])C[C@H](OS(=O)(O)=O)CC[C@]4(C)[C@@]3([H])CC1)C2=O androsterone sulfate 2479-86-9 19988780 HMDB0002759 159663 Neg indolepropionate 100001083 209 32405 125818 Amino Acid Tryptophan Metabolism 311 NAMED GOLXRNDWAUTYKT-UHFFFAOYSA-N OC(CCC1=CNC2=C1C=CC=C2)=O indolepropionate 830-96-6 3613 HMDB0002302 3744 Neg N-(2-furoyl)glycine 100001086 209 31536 125774 Xenobiotics Food Component/Plant 5003 NAMED KSPQDMRTZZYQLM-UHFFFAOYSA-N O=C(NCC(O)=O)C1=CC=CO1 N-(2-furoyl)glycine 5657-19-2,5657-19-2 20549 HMDB0000439 21863 Neg dodecanedioate (C12-DC) 100001102 209 32388 125800 Lipid Fatty Acid, Dicarboxylate 1709 NAMED TVIDDXQYHWJXFK-UHFFFAOYSA-N OC(CCCCCCCCCCC(O)=O)=O dodecanedioate (C12) 693-23-2 12213 HMDB0000623 C02678 12736 Neg N-acetyltyrosine 100001104 209 32390 125802 Amino Acid Tyrosine Metabolism 169 NAMED CAHKINHBCWCHCF-JTQLQIEISA-N OC1=CC=C(C[C@@H](C(O)=O)NC(C)=O)C=C1 N-acetyltyrosine 537-55-3 61606 HMDB0000866 68310 Neg 1,3-dimethylurate 100001106 209 32391 125804 Xenobiotics Xanthine Metabolism 4631 NAMED OTSBKHHWSQYEHK-UHFFFAOYSA-N CN1C(N(C(N2)=C(C1=O)NC2=O)C)=O 1,3-dimethylurate 944-73-0 63527 HMDB0001857 70346 Neg 3-methylxanthine 100001108 209 32445 125834 Xenobiotics Xanthine Metabolism 4636 NAMED GMSNIKWWOQHZGF-UHFFFAOYSA-N O=C1N(C)C2=C(N=CN2)C(N1)=O 3-methylxanthine 1076-22-8 63805 HMDB0001886 C16357 70639 Neg 3-hydroxylaurate 100001112 209 32457 151499 Lipid Fatty Acid, Monohydroxy 2008 NAMED MUCMKTPAZLSKTL-UHFFFAOYSA-N OC(CC(CCCCCCCCC)O)=O 3-hydroxylaurate 53941-38-1 85026 HMDB0000387 94216 Neg pyridoxate 100001121 209 31555 124697 Cofactors and Vitamins Vitamin B6 Metabolism 4485 NAMED HXACOUQIXZGNBF-UHFFFAOYSA-N OC1=C(C(O)=O)C(CO)=CN=C1C pyridoxate 82-82-6 6467 HMDB0000017 C00847 6723 Neg pyroglutamylvaline 100001132 209 32394 125806 Peptide Modified Peptides 1236 NAMED DTSWLLBBGHRXQH-XPUUQOCRSA-N O=C1CC[C@@H](C(N[C@@H](C(C)C)C(O)=O)=O)N1 pyroglutamylvaline 21282-10-0 134331 152416 Neg 3-hydroxysebacate 100001145 209 31943 125798 Lipid Fatty Acid, Monohydroxy 2007 NAMED OQYZCCKCJQWHIE-UHFFFAOYSA-N OC(CC(O)CCCCCCC(O)=O)=O 3-hydroxysebacate 73141-46-5 2285525 HMDB0000350 3017884 Neg 5-hydroxyhexanoate 100001148 209 31938 125792 Lipid Fatty Acid, Monohydroxy 2018 NAMED YDCRNMJQROAWFT-UHFFFAOYSA-N CC(O)CCCC(O)=O 5-hydroxyhexanoate 44843-89-2 149280 HMDB0000409,HMDB0000525 170748 Neg propionylglycine 100001150 209 31932 143851 Lipid Fatty Acid Metabolism (also BCAA Metabolism) 1795 NAMED WOMAZEJKVZLLFE-UHFFFAOYSA-N O=C(CC)NCC(O)=O propionylglycine (C3) 21709-90-0 89122 HMDB0000783 98681 Neg amphotericin B 100001165 209 31703 125780 Xenobiotics Drug - Antibiotic 5552 NAMED APKFDSVGJQXUKY-OOLMCVDISA-N O[C@@H]([C@@H](C)[C@H](C)OC(C[C@H](O)C[C@H](O)CC[C@@H](O)[C@@H](C[C@H](O)C[C@](O)(C[C@H](O)[C@H]1[C@@](O)=O)O2)O)=O)[C@@H](C)/C=C/C=C/C=C/C=C/C=C/C=C/C=C/[C@H](O[C@]3([H])O[C@H](C)[C@@H](O)[C@H](N)[C@@H]3O)C[C@@]21[H] amphotericin B 1397-89-3 10237579 HMDB0014819 C06573,D00203 5280965 Neg 3-hydroxy-2-ethylpropionate 100001170 209 32397 125810 Amino Acid Leucine, Isoleucine and Valine Metabolism 411 NAMED ZMZQVAUJTDKQGE-UHFFFAOYSA-N O=C(O)C(CC)CO 3-hydroxy-2-ethylpropionate 4374-62-3 164207 HMDB0000396 188979 Neg 3-carboxy-4-methyl-5-propyl-2-furanpropanoate (CMPF) 100001178 209 31787 142911 Lipid Fatty Acid, Dicarboxylate 1728 NAMED WMCQWXZMVIETAO-UHFFFAOYSA-N CCCC1=C(C)C(C(O)=O)=C(CCC(O)=O)O1 3-carboxy-4-methyl-5-propyl-2-furanpropanoate (CMPF) 86879-39-2 110498 HMDB0061112 123979 Neg docosapentaenoate (n3 DPA; 22:5n3) 100001181 209 32504 125862 Lipid Long Chain Polyunsaturated Fatty Acid (n3 and n6) 1585 NAMED YUFFSWGQGVEMMI-JLNKQSITSA-N O=C(O)CCCCC/C=CC/C=CC/C=CC/C=CC/C=CCC docosapentaenoate (DPA; 22:5n3) 2234-74-4 HMDB0006528,HMDB0001976 C16513 6441454 Neg docosadienoate (22:2n6) 100001182 209 32415 125824 Lipid Long Chain Polyunsaturated Fatty Acid (n3 and n6) 1600 NAMED HVGRZDASOHMCSK-AVQMFFATSA-N CCCCC/C=C/C/C=C/CCCCCCCCCCCC(O)=O docosadienoate (22:2n6) 7370-49-2 4445934 HMDB0061714 C16533 5282807 Neg adrenate (22:4n6) 100001193 209 32980 125866 Lipid Long Chain Polyunsaturated Fatty Acid (n3 and n6) 1598 NAMED TWSWSIQAPQLDBP-CGRWFSSPSA-N O=C(CCCCC/C=C/C/C=C/C/C=C/C/C=C/CCCCC)O adrenate (22:4n6) 2091-25-0 4445971 HMDB0002226 C16527 5282844,5497181 Neg docosatrienoate (22:3n3) 100001195 209 32417 125826 Lipid Long Chain Polyunsaturated Fatty Acid (n3 and n6) 1587 NAMED WBBQTNCISCKUMU-IUQGRGSQSA-N CC/C=C/C/C=C/C/C=C/CCCCCCCCCCCC(O)=O docosatrienoate (22:3n3) 59708-86-0 4471981 HMDB0002823 C16534 5312556 Neg 10-undecenoate (11:1n1) 100001197 209 32497 125854 Lipid Medium Chain Fatty Acid 1523 NAMED FRPZMMHWLSIFAZ-UHFFFAOYSA-N O=C(CCCCCCCCC=C)O[H] 10-undecenoate (11:1n1) 1333-28-4 10771160 HMDB0033724 C13910 14891 Neg myristoleate (14:1n5) 100001198 209 32418 125828 Lipid Long Chain Monounsaturated Fatty Acid 1549 NAMED YWWVWXASSLXJHU-WAYWQWQTSA-N O=C(CCCCCCC/C=CCCCC)O myristoleate (14:1n5) 544-64-9 4444564 HMDB0002000 C08322 5281119 Neg sebacate (C10-DC) 100001211 209 32398 125812 Lipid Fatty Acid, Dicarboxylate 1704 NAMED CXMXRPHRNRROMY-UHFFFAOYSA-N OC(CCCCCCCCC(O)=O)=O sebacate (C10-DC) 111-20-6 5004 HMDB0000792 C08277 5192 Neg I-urobilinogen 100001226 209 32426 144353 Cofactors and Vitamins Hemoglobin and Porphyrin Metabolism 4446 NAMED OBHRVMZSZIDDEK-UHFFFAOYSA-N CC1=C(CC(NC2=O)C(CC)=C2C)NC(CC3=C(CCC(O)=O)C(C)=C(CC(NC4=O)C(C)=C4CC)N3)=C1CCC(O)=O I-urobilinogen 14684-37-8 24980 HMDB0004157 C05789 9548718 Neg stearidonate (18:4n3) 100001229 209 33969 126890 Lipid Long Chain Polyunsaturated Fatty Acid (n3 and n6) 1580 NAMED JIWBIWFOSCKQMA-LTKCOYKYSA-N CCC=C/CC=C/CC=C/CC=C/CCCCC(O)=O stearidonate (18:4n3) 111174-40-4 4471933 HMDB0006547 C16300 5312508 Neg 5-dodecenoate (12:1n7) 100001232 209 33968 126127 Lipid Medium Chain Fatty Acid 1527 NAMED IJBFSOLHRKELLR-FPLPWBNLSA-N CCCCCCC=C/CCCC(O)=O 5-dodecenoate (12:1n7) 2430-94-6 4471803 HMDB0000529 5312378 Neg tauro-beta-muricholate 100001250 209 33983 126892 Lipid Primary Bile Acid Metabolism 3498 NAMED XSOLDPYUICCHJX-OEYGYFRSSA-N O=S(CCNC(CC[C@@H](C)[C@@]1([H])CCC2C3[C@@H](O)[C@@H](O)[C@]4([H])C[C@H](O)CC[C@]4(C)C3CC[C@]12C)=O)(O)=O tauro-beta-muricholate 25696-60-0 147312 HMDB0000932 121596216,21124703,168408 Neg N-acetylglutamine 100001253 209 33943 126101 Amino Acid Glutamate Metabolism 50 NAMED KSMRODHGGIIXDV-YFKPBYRVSA-N OC([C@H](CCC(N)=O)NC(C)=O)=O N-acetylglutamine 2490-97-3 158492 HMDB0006029 C02716 182230 Neg N-acetyltryptophan 100001254 209 33959 126119 Amino Acid Tryptophan Metabolism 261 NAMED DZTHIGRZJZPRDV-LBPRGKRZSA-N O=C(O)[C@@H](NC(C)=O)CC1=CNC2=C1C=CC=C2 N-acetyltryptophan 1218-34-4 610602 HMDB0013713 C03137 439917,700653 Neg N-acetylphenylalanine 100001256 209 33950 126109 Amino Acid Phenylalanine Metabolism 145 NAMED CBQJSKKFNMDLON-JTQLQIEISA-N O=C(O)[C@@H](NC(C)=O)CC1=CC=CC=C1 N-acetylphenylalanine 2018-61-3 67404 HMDB0000512 C03519 74839 Neg N-acetylthreonine 100001274 209 33939 126095 Amino Acid Glycine, Serine and Threonine Metabolism 18 NAMED PEDXUVCGOLSNLQ-UHFFFAOYSA-N CC(O)C(C(O)=O)NC(C)=O N-acetylthreonine 17093-74-2 3841173 HMDB0062557 152204 Neg N-acetylisoleucine 100001276 209 33967 126125 Amino Acid Leucine, Isoleucine and Valine Metabolism 393 NAMED JDTWZSUNGHMMJM-MSZQBOFLSA-N CC(N[C@H](C(O)=O)C(C)CC)=O N-acetylisoleucine 3077-46-1 2081100 HMDB0061684 306109 Neg 10-nonadecenoate (19:1n9) 100001277 209 33972 126131 Lipid Long Chain Monounsaturated Fatty Acid 1563 NAMED BBOWBNGUEWHNQZ-KTKRTIGZSA-N O=C(O)CCCCCCCC/C=CCCCCCCCC 10-nonadecenoate (19:1n9) 73033-09-7 4471938 HMDB0013622 5312513 Neg 10-heptadecenoate (17:1n7) 100001278 209 33971 126129 Lipid Long Chain Monounsaturated Fatty Acid 1554 NAMED GDTXICBNEOEPAZ-FPLPWBNLSA-N O=C(O)CCCCCCCC/C=CCCCCCC 10-heptadecenoate (17:1n7) 29743-97-3 4471860 HMDB0060038 5312435 Neg hyocholate (gamma-muricholate) 100001279 209 34093 126896 Lipid Secondary Bile Acid Metabolism 3558 NAMED DKPMWHFRUGMUKF-OAEKOJLISA-N C[C@]12CC[C@@H](O)C[C@@]1([H])[C@@H](O)[C@@H](O)C3C2CC[C@@]4(C)C3CCC4C(CCC(O)=O)C hyocholate 547-75-1 21403098 HMDB0000760 C17649 92805 Neg epiandrosterone sulfate 100001287 209 33973 126133 Lipid Androgenic Steroids 3374 NAMED ZMITXKRGXGRMKS-FMLJXKFRSA-N O=C1CCC2C3CC[C@@]4([H])C[C@@H](OS(=O)(O)=O)CC[C@]4(C)C3CC[C@@]21C epiandrosterone sulfate 22229-22-7 21403101 HMDB0062657 C04555 9929317 Neg tetrahydrocortisol 100001288 209 33992 151001 Lipid Corticosteroids 3341 NAMED AODPIQQILQLWGS-KXSFCWPUSA-N OC1CC[C@]2(C)[C@@]3([H])[C@H](O)C[C@]4(C)[C@]([C@@](CO)=O)(O)CC[C@@]4([H])[C@]3([H])CCC2C1 tetrahydrocortisol 53-02-1 21403102 HMDB0000949 C05472 5864 Neg p-cresol sulfate 100001315 209 36103 143727 Xenobiotics Benzoate Metabolism 4587 NAMED WGNAKZGUSRVWRH-UHFFFAOYSA-N O=S(OC1=CC=C(C)C=C1)(O)=O p-cresol sulfate 3233-57-7 3806480 HMDB0011635 4615423 Neg fibrinopeptide A* 100001322 209 57709 212497 Peptide Fibrinogen Cleavage Peptide 1175 NAMED JWICNZAGYSIBAR-UHFFFAOYSA-N O=C(NC(CC(C)C)C(NC(C)C(NC(CCC(O)=O)C(NCC(NCC(NCC(NC(C(C)C)C(NC(CCCNC(N)=N)C(O)=O)=O)=O)=O)=O)=O)=O)=O)C(CC1=CC=CC=C1)NC(C(CC(O)=O)NC(CNC(C(CCC(O)=O)NC(CNC(C(CO)NC(C(CC(O)=O)NC(C(C)N)=O)=O)=O)=O)=O)=O)=O fibrinopeptide A* 25422-31-5 14654187 25081464 Neg fibrinopeptide A, des-ala(1)* 100001323 209 31548 147074 Peptide Fibrinogen Cleavage Peptide 1183 NAMED JAMFMQAPZKXSKC-UHFFFAOYSA-N O=C(NC(CC(C)C)C(NC(C)C(NC(CCC(O)=O)C(NCC(NCC(NCC(NC(C(C)C)C(NC(CCCNC(N)=N)C(O)=O)=O)=O)=O)=O)=O)=O)=O)C(CC1=CC=CC=C1)NC(C(CC(O)=O)NC(CNC(C(CCC(O)=O)NC(CNC(C(CO)NC(C(CC(O)=O)N)=O)=O)=O)=O)=O)=O fibrinopeptide A, des-ala(1)* 21403111 132993922 Neg fibrinopeptide A, phosphono-ser(3)* 100001324 209 57712 212501 Peptide Fibrinogen Cleavage Peptide 1184 NAMED DROFZMGQYLJNLQ-UHFFFAOYSA-N O=C(NC(CC(C)C)C(NC(C)C(NC(CCC(O)=O)C(NCC(NCC(NCC(NC(C(C)C)C(NC(CCCNC(N)=N)C(O)=O)=O)=O)=O)=O)=O)=O)=O)C(CC1=CC=CC=C1)NC(C(CC(O)=O)NC(CNC(C(CCC(O)=O)NC(CNC(C(COP(O)(O)=O)NC(C(CC(O)=O)NC(C(C)N)=O)=O)=O)=O)=O)=O)=O fibrinopeptide A, phosphono-ser(3)* 886023-52-5 21403112 132993923 Neg salicyluric glucuronide* 100001332 209 33384 144296 Xenobiotics Drug - Analgesics, Anesthetics 5447 NAMED OEPADIDIUZTYOX-UHFFFAOYSA-N OC1=CC=CC=C1C(NCC(OC2C(O)C(O)C(O)C(C(O)=O)O2)=O)=O salicyluric glucuronide* 21403117 HMDB0240252 121596205 Neg eicosenoate (20:1) 100001335 209 33587 143715 Lipid Long Chain Monounsaturated Fatty Acid 1566 NAMED BITHHVVYSMSWAG-KTKRTIGZSA-N O=C(O)CCCCCCCCC/C=CCCCCCCCC eicosenoate (20:1n9 or 1n11) 4445895 HMDB0002231,HMDB0062436 C16526 5282768,5282769,94159 Neg linolenate [alpha or gamma; (18:3n3 or 6)] 100001337 209 34035 143703 Lipid Long Chain Polyunsaturated Fatty Acid (n3 and n6) 1592 NAMED DTOSIQBPPRVQHS-PDBXOOCHSA-N O=C(O)CCCCCCC/C=CC/C=CC/C=CCC linolenate (18:3n3 or 3n6) 4444437 HMDB0003073,HMDB0001388 C06426,C06427 5280933,5280934 Neg aconitate [cis or trans] 100001359 209 46173 144239 Energy TCA Cycle 1460 NAMED aconitate [cis or trans] HMDB0000958,HMDB000072 C004174,C02341 444212,643757 Neg 1,3,7-trimethylurate 100001397 209 34404 126930 Xenobiotics Xanthine Metabolism 4634 NAMED BYXCFUMGEBZDDI-UHFFFAOYSA-N CN(C(N1C)=O)C(NC2=O)=C(N2C)C1=O 1,3,7-trimethylurate 5415-44-1 71754 HMDB0002123 C16361 79437 Neg 3,7-dimethylurate 100001398 209 34399 126922 Xenobiotics Xanthine Metabolism 4633 NAMED HMLZLHKHNBLLJD-UHFFFAOYSA-N CN1C(NC(C(N2C)=C1NC2=O)=O)=O 3,7-dimethylurate 13087-49-5 74994 HMDB0001982 C16360 83126 Neg 1,7-dimethylurate 100001399 209 34400 126924 Xenobiotics Xanthine Metabolism 4632 NAMED NOFNCLGCUJJPKU-UHFFFAOYSA-N CN1C(NC(N2)=C(C1=O)N(C)C2=O)=O 1,7-dimethylurate 33868-03-0 82720 HMDB0011103 C16356 91611 Neg 1-methylxanthine 100001405 209 34389 126906 Xenobiotics Xanthine Metabolism 4635 NAMED MVOYJPOZRLFTCP-UHFFFAOYSA-N O=C(N1C)NC2=C(NC=N2)C1=O 1-methylxanthine 6136-37-4 72464 HMDB0010738 C16358 80220 Neg N4-acetylcytidine 100001413 209 35130 126964 Nucleotide Pyrimidine Metabolism, Cytidine containing 4289 NAMED NIDVTARKFBZMOT-PEBGCTIMSA-N O[C@]1([H])[C@@](O)([H])[C@](CO)([H])O[C@]1(N2C(N=C(NC(C)=O)C=C2)=O)[H] N4-acetylcytidine 3768-18-1 96702 HMDB0005923 107461 Neg N6-carbamoylthreonyladenosine 100001415 209 35157 126974 Nucleotide Purine Metabolism, Adenine containing 4197 NAMED UNUYMBPXEFMLNW-HZPYULPISA-N OC(C)C(C(O)=O)NC(NC1=NC=NC2=C1N=CN2[C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)=O N6-carbamoylthreonyladenosine 24719-82-2 141829 HMDB0041623 161466 Neg 4-hydroxyhippurate 100001423 209 35527 127577 Xenobiotics Benzoate Metabolism 4504 NAMED ZMHLUFWWWPBTIU-UHFFFAOYSA-N O=C(NCC(O)=O)C1=CC=C(O)C=C1 4-hydroxyhippurate 2482-25-9 133104 HMDB0013678 151012 Neg 5,6-dihydrouridine 100001425 209 61833 218435 Nucleotide Pyrimidine Metabolism, Uracil containing 4255 NAMED ZPTBLXKRQACLCR-XVFCMESISA-N OC[C@H]1O[C@@H](N2CCC(NC2=O)=O)[C@@H]([C@@H]1O)O 5,6-dihydrouridine 5627-05-4 85115 HMDB0000497 94312 Neg 3-(3-amino-3-carboxypropyl)uridine* 100001426 209 62924 220780 Nucleotide Pyrimidine Metabolism, Uracil containing 4277 NAMED YXNIEZJFCGTDKV-UHFFFAOYSA-N OCC1C(O)C(O)C(N2C=CC(N(CCC(C(O)=O)N)C2=O)=O)O1 3-(3-amino-3-carboxypropyl)uridine* 52745-94-5 149669 171198 Neg 1-arachidonylglycerol (20:4) 100001433 209 34397 126918 Lipid Monoacylglycerol 2889 NAMED DCPCOKIYJYGMDN-DOFZRALJSA-N O=C(CCC/C=CC/C=CC/C=CC/C=CCCCCC)OCC(O)CO 1-arachidonylglycerol (20:4) MG 20:4 MG 20:4 MG 20:4/0:0/0:0 35474-99-8 4445452 HMDB11578 C13857 16019980,5282281 Neg 1-linolenoylglycerol (18:3) 100001435 209 34393 126910 Lipid Monoacylglycerol 2884 NAMED XQBHBEXBUZDCRY-QNEBEIHSSA-N O=C(OCC(O)CO)CCCCC=C/CC=C/CC=C/CCCCC 1-linolenoylglycerol (18:3) MG 18:3 MG 18:3 MG 18:3/0:0/0:0 124151-74-2 21403134 HMDB0011569 53480978 Neg 1-palmitoyl-GPA (16:0) 100001445 209 34428 144736 Lipid Lysophospholipid 2605 NAMED YNDYKPRNFWPPFU-GOSISDBHSA-N OP(OC[C@H](O)COC(CCCCCCCCCCCCCCC)=O)(O)=O 1-palmitoyl-GPA (16:0) LPA 16:0 LPA 16:0 LPA 16:0/0:0 17618-08-5 4925335 HMDB00327 C04036 6419701 Neg 5-methyluridine (ribothymidine) 100001446 209 35136 128207 Nucleotide Pyrimidine Metabolism, Uracil containing 4257 NAMED DWRXFEITVBNRMK-JXOAFFINSA-N O[C@@H]1[C@H](O)[C@@H](CO)O[C@H]1N(C=C2C)C(NC2=O)=O 5-methyluridine (ribothymidine) 1463-10-1 393058 HMDB0000884 445408 Neg isovalerylglycine 100001452 209 35107 126956 Amino Acid Leucine, Isoleucine and Valine Metabolism 359 NAMED ZRQXMKMBBMNNQC-UHFFFAOYSA-N O=C(O)CNC(CC(C)C)=O isovalerylglycine 16284-60-9 475516 HMDB00678 546304 Neg 3-hydroxydodecanedioate* 100001454 209 62915 220767 Lipid Fatty Acid, Dicarboxylate 1710 NAMED FYVQCLGZFXHEGL-UHFFFAOYSA-N O=C(O)CC(O)CCCCCCCCC(O)=O 3-hydroxydodecanedioate* 34574-69-1 13628081 HMDB0000413 16663321 Neg 7-methylguanine 100001456 209 35114 126958 Nucleotide Purine Metabolism, Guanine containing 4219 NAMED FZWGECJQACGGTI-UHFFFAOYSA-N O=C1C(N2C)=C(N=C2)N=C(N)N1 7-methylguanine 578-76-7 10883 HMDB0000897 C02242 135398679 Neg 1-stearoyl-GPG (18:0) 100001462 209 34437 126952 Lipid Lysophospholipid 2734 NAMED HFJVKBVEKQHVTO-OZAIVSQSSA-N O=P(OCC(O)CO)(O)OC[C@H](O)COC(CCCCCCCCCCCCCCCCC)=O 1-stearoyl-GPG (18:0) LPG 18:0 LPG 18:0 LPG 18:0/0:0 21403138 Neg N1-methyl-2-pyridone-5-carboxamide 100001468 209 40469 143005 Cofactors and Vitamins Nicotinate and Nicotinamide Metabolism 4357 NAMED JLQSXXWTCJPCBC-UHFFFAOYSA-N O=C(C1=C([H])N(C(C([H])=C1[H])=O)C([H])([H])[H])N([H])[H] N1-methyl-2-pyridone-5-carboxamide 701-44-0 62899 HMDB0004193 C05842 69698 Neg mead acid (20:3n9) 100001472 209 35174 126980 Lipid Long Chain Polyunsaturated Fatty Acid (n3 and n6) 1602 NAMED UNSRRHDPHVZAHH-YOILPLPUSA-N O=C(O)CCCC=C/C/C=CC/C=CCCCCCCCC mead acid (20:3n9) 20590-32-3 4471956 HMDB0010378 5312531 Neg 1-docosahexaenoylglycerol (22:6) 100001481 209 35153 128209 Lipid Monoacylglycerol 2893 NAMED JWPHORDRFVRZPP-KUBAVDMBSA-N O=C(OCC(O)CO)CC/C=CC/C=CC/C=CC/C=CC/C=CC/C=CCC 1-docosahexaenoylglycerol (22:6) MG 22:6 MG 22:6 MG 22:6/0:0/0:0 10477810 HMDB0011587 53480995 Neg phenol sulfate 100001510 209 32553 143728 Amino Acid Tyrosine Metabolism 196 NAMED CTYRPMDGLDAWRQ-UHFFFAOYSA-N OS(OC1=CC=CC=C1)(=O)=O phenol sulfate 937-34-8 67018 HMDB0060015 C02180 74426 Neg 2-hydroxy-3-methylvalerate 100001541 209 36746 128281 Amino Acid Leucine, Isoleucine and Valine Metabolism 401 NAMED RILPIWOPNGRASR-UHFFFAOYSA-N O=C(C(C(CC)C)O)O 2-hydroxy-3-methylvalerate 488-15-3 144317 HMDB0000317 164623 Neg testosterone sulfate 100001548 209 35668 152536 Lipid Androgenic Steroids 3402 NAMED WAQBISPOEAOCOG-DYKIIFRCSA-N O=C1CC[C@@]2(C)C(CC[C@]3([H])[C@]2([H])CC[C@@]4(C)[C@@]3([H])CC[C@@H]4OS(=O)(O)=O)=C1 testosterone sulfate 651-45-6 19979647 HMDB0002833 119207 Neg 2-arachidonoyl-GPC (20:4)* 100001554 209 33387 142527 Lipid Lysophospholipid 2656 NAMED IGJKYDBBINVMLH-JXRLJXCWSA-N OC[C@](OC(CCCC=C/CC=C/C/C=CC/C=CCCCCC)=O)([H])COP(OCC[N+](C)(C)C)([O-])=O 2-arachidonoyl-GPC (20:4)* LPC 20:4 LPC 20:4 LPC 0:0/20:4 21403158 HMDB0061699 52924038 Neg 2-stearoyl-GPC (18:0)* 100001555 209 35255 213240 Lipid Lysophospholipid 2635 NAMED IQGPMZRCLCCXAG-VWLOTQADSA-N OC[C@H](OC(CCCCCCCCCCCCCCCCC)=O)COP(OCC[N+](C)(C)C)([O-])=O 2-stearoyl-GPC* (18:0)* LPC 18:0 LPC 18:0 LPC 0:0/18:0 8383879 24779491 Neg 2-oleoyl-GPC (18:1)* 100001556 209 48259 154240 Lipid Lysophospholipid 2637 NAMED SULIDBRAXVDKBU-AYZYJWAHSA-N OC[C@H](OC(CCCCCCC/C=CCCCCCCCC)=O)COP(OCC[N+](C)(C)C)([O-])=O 2-oleoyl-GPC (18:1)* LPC 18:1 LPC 18:1 LPC 0:0/18:1 21403159 HMDB0061701 24779494 Neg 2-linoleoyl-GPC (18:2)* 100001557 209 35257 126982 Lipid Lysophospholipid 2640 NAMED LSUXCWJOIAWGOU-YMVLYFQPSA-N OC[C@H](OC(CCCCCCC/C=CC/C=CCCCCC)=O)COP(OCC[N+](C)(C)C)([O-])=O 2-linoleoyl-GPC (18:2)* LPC 18:2 LPC 18:2 LPC 0:0/18:2 21403160 HMDB0061700 71768169 Neg 2-palmitoleoyl-GPC (16:1)* 100001561 209 47118 148450 Lipid Lysophospholipid 2626 NAMED GKXPPJQBVCKAGD-DJYGDJEFSA-N OC[C@](OC(CCCCCCCC/C=CCCCCC)=O)([H])COP(OCC[N+](C)(C)C)([O-])=O 2-palmitoleoyl-GPC (16:1)* LPC 16:1 LPC 16:1 LPC 0:0/16:1 21403164 HMDB10383 122164832 Neg 2-palmitoyl-GPC (16:0)* 100001562 209 35253 126137 Lipid Lysophospholipid 2624 NAMED NEGQHKSYEYVFTD-HSZRJFAPSA-N OC[C@](OC(CCCCCCCCCCCCCCC)=O)([H])COP(OCC[N+](C)(C)C)([O-])=O 2-palmitoyl-GPC (16:0)* LPC 16:0 LPC 16:0 LPC 0:0/16:0 21403165 HMDB0061702 15061532 Neg 2-docosahexaenoyl-GPC (22:6)* 100001565 209 46203 144319 Lipid Lysophospholipid 2669 NAMED FTLVGMFFHDRYDI-APPDJCNMSA-N OC[C@](OC(CCC=C/C/C=CC/C=CC/C=CC/C=CC/C=CCC)=O)([H])COP(OCC[N+](C)(C)C)([O-])=O 2-docosahexaenoyl-GPC (22:6)* LPC 22:6 LPC 22:6 LPC 0:0/22:6 21403168 HMDB0010404 Neg N-acetylcitrulline 100001577 209 48434 155079 Amino Acid Urea cycle; Arginine and Proline Metabolism 512 NAMED WMQMIOYQXNRROC-LURJTMIESA-N OC([C@@H](NC(C)=O)CCCNC(N)=O)=O N-acetylcitrulline 33965-42-3 571213 HMDB0000856 C15532,C02851 656979 Neg 2-hydroxypalmitate 100001579 209 35675 128275 Lipid Fatty Acid, Monohydroxy 1991 NAMED JGHSBPIZNUXPLA-UHFFFAOYSA-N O=C(O)C(O)CCCCCCCCCCCCCC 2-hydroxypalmitate 764-67-0 83805 HMDB0031057 12575964,92836,11065598 Neg docosapentaenoate (n6 DPA; 22:5n6) 100001580 209 37478 127695 Lipid Long Chain Polyunsaturated Fatty Acid (n3 and n6) 1599 NAMED AVKOENOBFIYBSA-WMPRHZDHSA-N OC(CC/C=CC/C=CC/C=CC/C=CC/C=CCCCCC)=O docosapentaenoate (n6 DPA; 22:5n6) 25182-74-5 4945614 HMDB0001976 C16513 6441454 Neg hydroquinone sulfate 100001604 209 35322 144222 Xenobiotics Drug - Topical Agents 6008 NAMED FPXPQMOQWJZYBL-UHFFFAOYSA-N OC1=CC=C(C=C1)OS(=O)(O)=O hydroquinone sulfate 123-31-9 141624 HMDB0240263 C00530 161220 Neg catechol sulfate 100001605 209 35320 143730 Xenobiotics Benzoate Metabolism 4533 NAMED MZPWKJZDOCIALD-UHFFFAOYSA-N O=S(OC1=C(O)C=CC=C1)(O)=O catechol sulfate 4918-96-1 2341024 HMDB0059724 3083879 Neg 7alpha-hydroxy-3-oxo-4-cholestenoate (7-Hoca) 100001609 209 36776 128301 Lipid Sterol 3234 NAMED SATGKQGFUDXGAX-MYWFJNCASA-N O=C(C(CCC[C@H]([C@H]1CC[C@H]2[C@H]3[C@@H]([C@]4(C)C(C[C@H]3O)=CC(CC4)=O)CC[C@@]21C)C)C)O 7-HOCA 115538-85-7 2338765 HMDB0012458 C17337 3081085 Neg 3beta,7alpha-dihydroxy-5-cholestenoate 100001611 209 36803 143803 Lipid Sterol 3236 NAMED GYJSAWZGYQXRBS-GRJZKGIBSA-N O[C@H]1[C@@]([C@@](CC2)([H])[C@](CC[C@@H]3O)(C)C(C3)=C1)([H])[C@@]4([H])[C@@]2(C)[C@]([C@H](C)CCCC(C)C(O)=O)([H])CC4 3beta,7alpha-dihydroxy-5-cholestenoate 115538-84-6 2338764 HMDB0012454 C17335 3081084 Neg tetradecanedioate (C14-DC) 100001613 209 35669 128271 Lipid Fatty Acid, Dicarboxylate 1714 NAMED HQHCYKULIHKCEB-UHFFFAOYSA-N O=C(O)CCCCCCCCCCCCC(O)=O tetradecanedioate (C14) 821-38-5 12630 HMDB0000872 13185 Neg hexadecanedioate (C16-DC) 100001614 209 35678 128277 Lipid Fatty Acid, Dicarboxylate 1718 NAMED QQHJDPROMQRDLA-UHFFFAOYSA-N O=C(O)CCCCCCCCCCCCCCC(O)=O hexadecanedioate (C16) 505-54-4 10027 HMDB0000672 C19615 10459 Neg octadecanedioate (C18-DC) 100001615 209 36754 128289 Lipid Fatty Acid, Dicarboxylate 1721 NAMED BNJOQKFENDDGSC-UHFFFAOYSA-N O=C(O)CCCCCCCCCCCCCCCCC(O)=O octadecanedioate (C18) 871-70-5 63283 HMDB0000782 70095 Neg undecanedioate (C11-DC) 100001617 209 42395 128311 Lipid Fatty Acid, Dicarboxylate 1706 NAMED LWBHHRRTOZQPDM-UHFFFAOYSA-N O=C(O)CCCCCCCCCC(O)=O undecanedioate (C11-DC) 1852-04-6 15037 HMDB0000888 15816 Neg 1-myristoylglycerol (14:0) 100001618 209 35625 128233 Lipid Monoacylglycerol 2875 NAMED DCBSHORRWZKAKO-UHFFFAOYSA-N O=C(CCCCCCCCCCCCC)OCC(O)CO 1-myristoylglycerol (14:0) MG 14:0 MG 14:0 MG 14:0/0:0/0:0 75685-84-6 71382 HMDB0011561 C01885 10957631 Neg 2-oleoyl-GPE (18:1)* 100001651 209 45455 142789 Lipid Lysophospholipid 2695 NAMED NOVZJYYJYIFXJC-MZMPXXGTSA-N OC[C@@H](OC(CCCCCCCC=C/CCCCCCCC)=O)COP(OCC[NH3+])([O-])=O 2-oleoyl-GPE (18:1)* LPE 18:1 LPE 18:1 LPE 0:0/18:1 HMDB11476 Neg 1-arachidonoyl-GPI (20:4)* 100001654 209 34214 142524 Lipid Lysophospholipid 2754 NAMED LXUGKKVCSTYZFK-OSKOXSHBSA-N [H]C(C(O)(C(O)([C@](O)1[H])[H])[H])([C@@](OP(O)(OC[C@@]([H])(COC(CCC/C=CC/C=CC/C=CC/C=CCCCCC)=O)O)=O)([C@]1(O)[H])[H])O 1-arachidonoyl-GPI (20:4)* LPI 20:4 LPI 20:4 LPI 20:4/0:0 HMDB0061690 121596217 Neg 1-palmitoyl-GPI (16:0) 100001655 209 35305 146820 Lipid Lysophospholipid 2740 NAMED UOXRPRZMAROFPH-AQFLIPHUSA-N [H]C(C(O)(C(O)([C@](O)1[H])[H])[H])([C@@](OP(O)(OC[C@@]([H])(COC(CCCCCCCCCCCCCCC)=O)O)=O)([C@]1(O)[H])[H])O 1-palmitoyl-GPI (16:0) LPI 16:0 LPI 16:0 LPI 16:0/0:0 HMDB0061695 71296207 Neg glycolithocholate sulfate* 100001657 209 32620 142564 Lipid Secondary Bile Acid Metabolism 3533 NAMED FHXBAFXQVZOILS-OETIFKLTSA-N C[C@]12[C@@]([C@@]([C@@](CC2)([H])[C@](CC3)(C)[C@@]4([H])C[C@@H]3OS(=O)(O)=O)(CC4)[H])([H])CC[C@]1([H])[C@H](C)CCC(NCC(O)=O)=O glycolithocholate sulfate* 15324-64-8 65188 HMDB0002639 C11301 72222 Neg taurolithocholate 3-sulfate 100001658 209 36850 128309 Lipid Secondary Bile Acid Metabolism 3535 NAMED HSNPMXROZIQAQD-VUIPEFFGSA-N C[C@@]([C@]([C@@](CC1)([H])[C@@]2([H])[C@](CC3)(C)[C@]1([H])C[C@@H]3OS(=O)(O)=O)(CC4)[H])(CC2)[C@]4([H])[C@H](C)CCC(NCCS(O)(=O)=O)=O taurolithocholate 3-sulfate 64936-83-0 389078 HMDB0002580 C03642 440071 Neg N6-succinyladenosine 100001664 209 48130 151119 Nucleotide Purine Metabolism, Adenine containing 4207 NAMED VKGZCEJTCKHMRL-UHFFFAOYSA-N OCC(O1)C(O)C(O)C1N2C=NC3=C(NC(CC(O)=O)C(O)=O)N=CN=C32 N6-succinyladenosine 4542-23-8 HMDB0000912 165243 Neg 2-arachidonoyl-GPE (20:4)* 100001674 209 32815 142522 Lipid Lysophospholipid 2710 NAMED YWOCITMXHHTBAW-XSQXPFHXSA-N OC[C@](OC(CCCC=C/CC=C/C/C=CC/C=CCCCCC)=O)([H])COP(OCCN)(O)=O 2-arachidonoyl-GPE (20:4)* LPE 20:4 LPE 20:4 LPE 0:0/20:4 HMDB0011487 53480936 Neg indoleacetylglutamine 100001731 209 42087 143935 Amino Acid Tryptophan Metabolism 313 NAMED DVJIJAYHBZALOJ-UHFFFAOYSA-N O=C(NC(CCC(N)=O)C(O)=O)CC1=CNC2=C1C=CC=C2 indoleacetylglutamine HMDB0013240 25200879 Neg hexanoylglutamine 100001733 209 54907 208284 Lipid Fatty Acid Metabolism (Acyl Glutamine) 1804 NAMED NONGMLDQXRDGIT-UHFFFAOYSA-N O=C(CCCCC)NC(CCC(N)=O)C(O)=O hexanoylglutamine Neg dihomo-linolenate (20:3n3 or n6) 100001739 209 35718 143707 Lipid Long Chain Polyunsaturated Fatty Acid (n3 and n6) 1595 NAMED AHANXAKGNAKFSK-PDBXOOCHSA-N CCC=C/CC=C/CC=C/CCCCCCCCCC(O)=O dihomolinolenate (20:3n3 or 3n6) 17046-59-2 4471954 HMDB0002925 C03242 5280581 Neg 4-vinylphenol sulfate 100001755 209 36098 144223 Xenobiotics Benzoate Metabolism 4560 NAMED IETVQHUKTKKBFF-UHFFFAOYSA-N O=S(OC1=CC=C(C=C)C=C1)(O)=O 4-vinylphenol sulfate 2628-17-3 4932200 HMDB0062775 C05627 6426766 Neg 4-ethylphenylsulfate 100001756 209 36099 144224 Xenobiotics Benzoate Metabolism 4558 NAMED DWZGLEPNCRFCEP-UHFFFAOYSA-N O=S(OC1=CC=C(CC)C=C1)(O)=O 4-ethylphenyl sulfate 123-07-9 HMDB0062551 C13637 20822574 Neg thymol sulfate 100001757 209 36095 144225 Xenobiotics Food Component/Plant 5113 NAMED NODSEPOUFZPJEQ-UHFFFAOYSA-N CC(C)C1=CC=C(C)C=C1OS(=O)(O)=O thymol sulfate 89-83-8 10709958 HMDB0062720 C09908 12456386 Neg pyrraline 100001767 209 48428 155071 Xenobiotics Food Component/Plant 5153 NAMED VTYFITADLSVOAS-UHFFFAOYSA-N NC(C(O)=O)CCCCN1C(C=O)=CC=C1CO pyrraline 74509-14-1 19980286 HMDB0033143 C21013 14274616 Neg 3beta,7beta-dihydroxy-5-cholestenoate 100001774 209 36842 143826 Lipid Sterol 3245 NAMED GYJSAWZGYQXRBS-OSLQQXMWSA-N O=C(C(CCC[C@@H]([C@@H]1CC[C@@H]2[C@@H]3[C@H]([C@@]4(C)C(C[C@@H](CC4)O)=C[C@H]3O)CC[C@]21C)C)C)O 3beta,7beta-dihydroxy-5-cholestenoate 1246298-66-7 Neg 2-linoleoyl-GPE (18:2)* 100001776 209 36593 142534 Lipid Lysophospholipid 2697 NAMED SVRBKLJIDJHADS-HZJYTTRNSA-N O=P(OCC(OC(CCCCCCC/C=CC/C=CCCCCC)=O)CO)(O)OCCN 2-linoleoyl-GPE (18:2)* LPE 18:2 LPE 18:2 LPE 0:0/18:2 HMDB11477 Neg 1-oleoyl-GPI (18:1) 100001777 209 36602 146821 Lipid Lysophospholipid 2746 NAMED UGDOFRYHDCDVHD-JCASDCETSA-N [H]C(C(O)(C(O)([C@](O)1[H])[H])[H])([C@@](OP(O)(OC[C@@]([H])(COC(CCCCCCC/C=CCCCCCCCC)=O)O)=O)([C@]1(O)[H])[H])O 1-oleoyl-GPI (18:1) LPI 18:1 LPI 18:1 LPI 18:1/0:0 HMDB0061693 86289645 Neg 1-linoleoyl-GPI (18:2)* 100001778 209 36594 146822 Lipid Lysophospholipid 2748 NAMED SAHCQBPGXQFTRA-WNOZMNFTSA-N [H]C(C(O)(C(O)([C@](O)1[H])[H])[H])([C@@](OP(O)(OC[C@@]([H])(COC(CCCCCCC/C=CC/C=CCCCCC)=O)O)=O)([C@]1(O)[H])[H])O 1-linoleoyl-GPI* (18:2)* LPI 18:2 LPI 18:2 LPI 18:2/0:0 HMDB0240597 11124828 Neg 1-palmitoleoyl-GPI (16:1)* 100001786 209 36618 146823 Lipid Lysophospholipid 2741 NAMED VPFGUPHJCAHVJV-JFCSUPIBSA-N CCCCCCC=C/CCCCCCCC(OC[C@]([H])(COP(O[C@](C(O)(C(O)(C(O)([C@](O)1[H])[H])[H])[H])([C@]1(O)[H])[H])(O)=O)O)=O 1-palmitoleoyl-GPI (16:1)* LPI 16:1 LPI 16:1 LPI 16:1/0:0 HMDB0061695 Neg desmethylnaproxen 100001787 209 46331 145275 Xenobiotics Drug - Analgesics, Anesthetics 5435 NAMED XWJUDDGELKXYNO-QMMMGPOBSA-N OC1=CC=C2C(C=CC([C@H](C)C(O)=O)=C2)=C1 desmethylnaproxen 52079-10-4 18640362 HMDB0013989 162920 Neg desmethylnaproxen sulfate 100001788 209 46106 143713 Xenobiotics Drug - Analgesics, Anesthetics 5436 NAMED BNKMSCMOWGCUOF-QMMMGPOBSA-N C[C@H](C(O)=O)C1=CC2=CC=C(OS(=O)(O)=O)C=C2C=C1 desmethylnaproxen sulfate 160559 184679 Neg sucralose 100001789 209 36649 127579 Xenobiotics Food Component/Plant 4717 NAMED BAQAVOSOZGMPRM-DYDPOALMSA-N Cl[C@]([C@@](O[C@@](O[C@@]([C@@]1(O)[H])(CCl)O[C@]([C@]1(O)[H])(CCl)[H])([C@]2(O)[H])[H])(CO)[H])([C@]2(O)[H])[H] sucralose 56038-13-2 HMDB0031554 C12285 71485 Neg 2-hydroxyacetaminophen sulfate* 100001791 209 33173 142539 Xenobiotics Drug - Analgesics, Anesthetics 5422 NAMED HRLQZTOIKWEZBN-UHFFFAOYSA-N CC(NC1=C(O)C=C(OS(=O)(O)=O)C=C1)=O 2-hydroxyacetaminophen sulfate* 34448632 HMDB0062547 86290013 Neg 2-methoxyacetaminophen sulfate* 100001793 209 47031 148286 Xenobiotics Drug - Analgesics, Anesthetics 5423 NAMED NZKKXAGORRATJB-UHFFFAOYSA-N CC(NC1=C(OC)C=C(OS(=O)(O)=O)C=C1)=O 2-methoxyacetaminophen sulfate* 34448633 HMDB0062550 86290014 Neg 2-methoxyacetaminophen glucuronide* 100001795 209 33161 153167 Xenobiotics Drug - Analgesics, Anesthetics 5424 NAMED GDCCQRYSPGZVPX-UHFFFAOYSA-N CC(NC1=C(OC)C=C(OC2OC(C(O)=O)C(O)C(O)C2O)C=C1)=O 2-methoxyacetaminophen glucuronide* 52083351 HMDB0240215 121596203 Neg o-cresol sulfate 100001806 209 36845 143732 Xenobiotics Benzoate Metabolism 4594 NAMED CYGSXDXRHXMAOV-UHFFFAOYSA-N O=S(OC1=CC=CC=C1C)(O)=O o-cresol sulfate 9790277 HMDB0011635 11615528 Neg 2-ethylphenylsulfate 100001809 209 36847 143734 Xenobiotics Benzoate Metabolism 4555 NAMED TXENPQZYQPWRAV-UHFFFAOYSA-N O=S(OC1=C(CC)C=CC=C1)(O)=O 2-ethylphenylsulfate Neg 4-allylphenol sulfate 100001868 209 37181 144354 Xenobiotics Food Component/Plant 5124 NAMED KFDHKOFCRYUXLA-UHFFFAOYSA-N C=CCC1=CC=C(OS(=O)(O)=O)C=C1 4-allylphenol sulfate 66633409 Neg 5alpha-androstan-3beta,17beta-diol disulfate 100001987 209 37190 144226 Lipid Androgenic Steroids 3418 NAMED JHFAETDERBWUOO-ARKAXQQOSA-N C[C@@]12[C@](CCC3C2CC[C@@]4(C)C3CC[C@@H]4OS(=O)(O)=O)([H])C[C@@H](OS(=O)(O)=O)CC1 5alpha-androstan-3beta,17beta-diol disulfate 571-20-0 HMDB00493 C12525 90186325 Neg 5alpha-pregnan-3beta,20alpha-diol disulfate 100001988 209 37198 144254 Lipid Progestin Steroids 3312 NAMED LSQGWMYMIHQKSA-VNCHAANSSA-N C[C@@]12[C@](CCC3C2CC[C@@]4(C)C3CCC4C(OS(=O)(O)=O)C)([H])C[C@@H](OS(=O)(O)=O)CC1 5alpha-pregnan-3beta,20alpha-diol disulfate HMDB0094650 118703093 Neg glycocholenate sulfate* 100001989 209 32599 142563 Lipid Secondary Bile Acid Metabolism 3568 NAMED HCXZDHWUVRQLGC-UHFFFAOYSA-N O=S(OC1CCC2(C)C(CCC3C2CCC4(C)C3CCC4C(CCC(NCC(O)=O)=O)C)=C1)(O)=O glycocholenate sulfate* Neg taurocholenate sulfate* 100001990 209 32807 142566 Lipid Secondary Bile Acid Metabolism 3569 NAMED OEDITLKCLMKBOM-UHFFFAOYSA-N O=S(OC1CCC2(C)C(CCC3C2CCC4(C)C3CCC4C(CCC(NCCS(=O)(O)=O)=O)C)=C1)(O)=O taurocholenate sulfate* Neg androstenediol (3beta,17beta) disulfate (1) 100001992 209 37202 144229 Lipid Androgenic Steroids 3395 NAMED UWPTUYJASNIIJM-QJIZPQHZSA-N C[C@@]12C(CCC3C2CC[C@@]4(C)C3CC[C@@H]4OS(=O)(O)=O)=C[C@@H](OS(=O)(O)=O)CC1 androstenediol (3beta,17beta) disulfate (1) HMDB0240313 C04295 87120982 Neg pregnenediol disulfate (C21H34O8S2)* 100001993 209 32562 149820 Lipid Pregnenolone Steroids 3292 NAMED RKYCGXFEFAPXIP-BWUXAKENSA-N C[C@@]12C(CCC3C2CC[C@@]4(C)C3CCC4C(OS(=O)(O)=O)C)=CC(OS(=O)(O)=O)CC1 pregnen-diol disulfate* Neg androstenediol (3beta,17beta) disulfate (2) 100001994 209 37203 144269 Lipid Androgenic Steroids 3396 NAMED UWPTUYJASNIIJM-QJIZPQHZSA-N C[C@]12C(CCC3C1CC[C@]4(C3CC[C@@H]4OS(=O)(O)=O)C)=C[C@H](CC2)OS(=O)(O)=O androstenediol (3beta,17beta) disulfate (2) HMDB0240313 87120982 Neg 21-hydroxypregnenolone disulfate 100001999 209 46115 143743 Lipid Pregnenolone Steroids 3285 NAMED CBOVWLYQUCVTFA-WGKOQXAXSA-N C[C@@]1([C@H]2[C@@](COS(=O)(O)=O)=O)[C@](CC2)([H])[C@@](CC=C3[C@@]4(CC[C@H](OS(=O)(O)=O)C3)C)([H])[C@@]4([H])CC1 21-hydroxypregnenolone disulfate 1164-98-3 118625 134595 Neg 21-hydroxypregnenolone monosulfate (1) 100002003 209 37174 144212 Lipid Pregnenolone Steroids 3282 NAMED YNTXPDSHGMGJJG-WGKOQXAXSA-N C[C@@]1([C@H]2[C@@](COS(=O)(O)=O)=O)[C@](CC2)([H])[C@@](CC=C3[C@@]4(CC[C@H](O)C3)C)([H])[C@@]4([H])CC1 21-hydroxypregnenolone monosulfate (1) 88378-34-1 152343 174681 Neg 5alpha-androstan-3alpha,17alpha-diol disulfate 100002007 209 37182 144256 Lipid Androgenic Steroids 3391 NAMED JHFAETDERBWUOO-SKIFDASYSA-N O=S(O[C@H]1C2(C)C(CC1)C(CCC3C4(C)CC[C@@H](OS(=O)(O)=O)C3)C4CC2)(O)=O 5alpha-androstan-3alpha,17alpha-diol disulfate Neg 5alpha-androstan-3alpha,17alpha-diol monosulfate 100002008 209 37183 144260 Lipid Androgenic Steroids 3390 NAMED LERFMBCTNMFXCT-SKIFDASYSA-N O[C@H]1C2(C)C(CC1)C(CCC3C4(C)CC[C@@H](OS(=O)(O)=O)C3)C4CC2 5alpha-androstan-3alpha,17alpha-diol monosulfate HMDB0000412 Neg 5alpha-pregnan-3beta,20beta-diol monosulfate (1) 100002009 209 37196 144279 Lipid Progestin Steroids 3303 NAMED NOGKXXMAHGCQBS-VNCHAANSSA-N O[C@H]1CC[C@@]2(C)[C@](CCC3C2CC[C@@]4(C)C3CCC4C(C)OS(=O)(O)=O)([H])C1 5alpha-pregnan-3beta,20beta-diol monosulfate (1) HMDB0240580 Neg 5alpha-pregnan-3beta,20alpha-diol monosulfate (2) 100002014 209 37200 144283 Lipid Progestin Steroids 3306 NAMED ZIVKBPVUJZDVBI-MHACIFFSSA-N C[C@@]12[C@](CCC3C2CC[C@@]4(C)C3CCC4[C@](C)([H])O)([H])C[C@@H](OS(=O)(O)=O)CC1 5alpha-pregnan-3beta,20alpha-diol monosulfate (2) Neg 5alpha-pregnan-diol disulfate 100002015 209 46172 144285 Lipid Progestin Steroids 3313 NAMED LSQGWMYMIHQKSA-UHFFFAOYSA-N CC(OS(=O)(O)=O)C1CCC2C3CCC4CC(OS(=O)(O)=O)CCC4(C)C3CCC21C 5alpha-pregnan-diol disulfate 4302261 HMDB0240581,HMDB0240582 3082277,5127902 Neg 5alpha-androstan-3alpha,17beta-diol disulfate 100002017 209 37184 144264 Lipid Androgenic Steroids 3412 NAMED JHFAETDERBWUOO-ILBJSTGGSA-N C[C@@]12[C@](CCC3C2CC[C@@]4(C)C3CC[C@@H]4OS(=O)(O)=O)([H])C[C@H](OS(=O)(O)=O)CC1 5alpha-androstan-3alpha,17beta-diol disulfate HMDB0094682 56639109 Neg 5alpha-androstan-3alpha,17beta-diol monosulfate (1) 100002018 209 37186 144270 Lipid Androgenic Steroids 3410 NAMED LERFMBCTNMFXCT-ILBJSTGGSA-N C[C@@]12[C@](CCC3C2CC[C@@]4(C)C3CC[C@@H]4O)([H])C[C@H](OS(=O)(O)=O)CC1 5alpha-androstan-3alpha,17beta-diol monosulfate (1) 121596226,121596225 Neg 5alpha-androstan-3beta,17alpha-diol disulfate 100002021 209 37187 144291 Lipid Androgenic Steroids 3421 NAMED JHFAETDERBWUOO-ILSMVHKQSA-N O=S(O[C@@H]1CCC2C3CC[C@@]4([H])C[C@@H](OS(=O)(O)=O)CC[C@]4(C)C3CC[C@@]21C)(O)=O 5alpha-androstan-3beta,17alpha-diol disulfate HMDB0094682 56639109 Neg 5alpha-androstan-3beta,17beta-diol monosulfate (2) 100002024 209 37192 144276 Lipid Androgenic Steroids 3417 NAMED KWYNDVHEQWYGIL-ARKAXQQOSA-N O[C@H]1CC[C@@]2(C)[C@](CCC3C2CC[C@@]4(C)C3CC[C@@H]4OS(=O)(O)=O)([H])C1 5alpha-androstan-3beta,17beta-diol monosulfate (2) Neg androstenediol (3alpha, 17alpha) monosulfate (2) 100002026 209 37207 144213 Lipid Androgenic Steroids 3399 NAMED VPDALJSLCNNODJ-BVKUPEMCSA-N O[C@@H]1CCC2C3CCC4=C[C@H](OS(=O)(O)=O)CC[C@]4(C)C3CC[C@@]21C androstenediol (3alpha, 17alpha) monosulfate (2) Neg androstenediol (3alpha, 17alpha) monosulfate (3) 100002027 209 37209 144214 Lipid Androgenic Steroids 3400 NAMED VPDALJSLCNNODJ-IUIQAQCZSA-N O[C@@H]1CCC2C3CCC4=CC(OS(=O)(O)=O)CC[C@]4(C)C3CC[C@@]21C androstenediol (3alpha, 17alpha) monosulfate (3) Neg androstenediol (3beta,17beta) monosulfate (1) 100002028 209 37211 144263 Lipid Androgenic Steroids 3392 NAMED VPDALJSLCNNODJ-QJIZPQHZSA-N O[C@H]1CCC2C3CCC4=C[C@@H](OS(=O)(O)=O)CC[C@]4(C)C3CC[C@@]21C androstenediol (3beta,17beta) monosulfate (1) 521-17-5 HMDB0240429 129670631,13847309 Neg androstenediol (3beta,17beta) monosulfate (2) 100002029 209 37210 144261 Lipid Androgenic Steroids 3393 NAMED KMTOEENORMWLCF-QJIZPQHZSA-N O[C@H]1CC[C@@]2(C)C(CCC3C2CC[C@@]4(C)C3CC[C@@H]4OS(=O)(O)=O)=C1 androstenediol (3beta,17beta) monosulfate (2) HMDB0240429,HMDB0186954 Neg 4-hydroxycoumarin 100002049 209 37445 151041 Xenobiotics Drug - Cardiovascular 5698 NAMED VXIXUWQIVKSKSA-UHFFFAOYSA-N OC(C1=CC=CC=C1O2)=CC2=O 4-hydroxycoumarin 1076-38-6 10254753 C20414 54682930 Neg 2-docosahexaenoyl-GPE (22:6)* 100002061 209 34258 144195 Lipid Lysophospholipid 2721 NAMED TWBVHOYVCUOMJY-PAUXXPOVSA-N OC[C@](OC(CCC=C/C/C=CC/C=CC/C=CC/C=CC/C=CCC)=O)([H])COP(OCCN)(O)=O 2-docosahexaenoyl-GPE (22:6)* LPE 22:6 LPE 22:6 LPE 0:0/22:6 HMDB0011496 Neg pregnenediol sulfate (C21H34O5S)* 100002067 209 32619 149838 Lipid Pregnenolone Steroids 3291 NAMED MENQCIVHHONJLU-UHFFFAOYSA-N CC(C1CCC2C3CCC4CC(OS(O)(=O)=O)CCC4(C3CCC12C)C)=O pregnenediol sulfate (C21H34O5S)* 1247-64-9 13465233 HMDB0000774 C18044 105074 Neg gamma-CEHC 100002094 209 44876 127733 Cofactors and Vitamins Tocopherol Metabolism 4402 NAMED VMJQLPNCUPGMNQ-UHFFFAOYSA-N OC1=C(C)C(C)=C(OC(C)(CCC(O)=O)CC2)C2=C1 gamma-CEHC 178167-75-4 117455 HMDB0001931 133098 Neg N-acetyl-beta-alanine 100002102 209 37432 127667 Nucleotide Pyrimidine Metabolism, Uracil containing 4274 NAMED LJLLAWRMBZNPMO-UHFFFAOYSA-N CC(NCCC(O)=O)=O N-acetyl-beta-alanine 3025-95-4 68881 HMDB0061880 C01073 76406 Neg 3-hydroxyhippurate 100002122 209 39600 141918 Xenobiotics Benzoate Metabolism 4502 NAMED XDOFWFNMYJRHEW-UHFFFAOYSA-N O=C(C1=CC=CC(O)=C1)NCC(O)=O 3-hydroxyhippurate 1637-75-8 396603 HMDB0006116 450268 Neg 16alpha-hydroxy DHEA 3-sulfate 100002126 209 38168 143871 Lipid Androgenic Steroids 3371 NAMED ALBNSVAJDFJRKQ-UAFBDMIJSA-N O=C1[C@H](O)CC2C3CC=C4C[C@@H](OS(=O)(O)=O)CC[C@]4(C)C3CC[C@@]21C 16alpha-hydroxy DHEA 3-sulfate HMDB0062544 20848950 Neg 17alpha-hydroxypregnenolone 3-sulfate 100002128 209 37482 151073 Lipid Pregnenolone Steroids 3279 NAMED OMOKWYAQVYBHMG-QUPIPBJSSA-N O=[C@@](C)[C@@]1(O)CC[C@@]2([H])[C@]3([H])CC=C4CC(OS(=O)(O)=O)CC[C@]4(C)[C@@]3([H])CC[C@]12C 17alpha-hydroxypregnenolone 3-sulfate 28901-70-4 134824 HMDB00416 152971 Neg pregnenolone sulfate 100002129 209 38170 127723 Lipid Pregnenolone Steroids 3275 NAMED DIJBBUIOWGGQOP-QGVNFLHTSA-N C[C@]12CC[C@H](OS(=O)(O)=O)CC1=CC[C@@]3([H])[C@]4([H])CC[C@H]([C@](C)=O)[C@](C)4CC[C@]23[H] pregnenolone sulfate 1247-64-9 94802 HMDB0000774 C18044 105074 Neg 5-HETE 100002137 209 37372 143751 Lipid Eicosanoid 2158 NAMED KGIJOOYOSFUGPC-XTDASVJISA-N OC(CCCC(O)/C=C/C=CC/C=CC/C=CCCCCC)=O 5-HETE 73307-52-5 8038582 HMDB0011134 C04805 5280733 Neg andro steroid monosulfate C19H28O6S (1)* 100002152 209 32827 149822 Lipid Androgenic Steroids 3425 NAMED UNURIUSTYBXRLV-UHFFFAOYSA-N CC12CCC(O)CC1=CCC3C2CCC4(C)C3CC(OS(=O)(O)=O)C4=O andro steroid monosulfate C19H28O6S (1)* HMDB0002759 159663 Neg penicillin G 100002155 209 37468 127689 Xenobiotics Drug - Antibiotic 5511 NAMED JGSARLDLIJGVTE-UHFFFAOYSA-N CC1(C)C(C(O)=O)N2C(C(NC(CC3=CC=CC=C3)=O)C2=O)S1 penicillin G 69-57-8 2259 HMDB0015186 C05551 5904 Neg 12-HETE 100002167 209 37536 143754 Lipid Eicosanoid 2164 NAMED ZNHVWPKMFKADKW-VXBMJZGYSA-N OC(CCC/C=CCC=C/C=C/C(C/C=CCCCCC)O)=O 12-HETE 73837-14-6,71030-37-0 21509475 HMDB0006111 C14777 5283155 Neg 13-HODE + 9-HODE 100002196 209 37752 145686 Lipid Fatty Acid, Monohydroxy 2037 NAMED HNICUWMFWZBIFP-IRQZEAMPSA-N OC(CCCCCCC/C=CC=C[C@H](CCCCC)O)=O 13-HODE + 9-HODE HMDB0004670,HMDB0004667 C14767,C14762 5312830,5282945,1424,5282947,5282944 Neg tridecenedioate (C13:1-DC)* 100002199 209 62919 220775 Lipid Fatty Acid, Dicarboxylate 1713 NAMED LGDMAFABHAIORE-DUXPYHPUSA-N O=C(O)CCCCCC/C=C/CCCC(O)=O tridecenedioate (C13:1-DC)* Neg N-acetyl-3-methylhistidine* 100002204 209 43256 149802 Amino Acid Histidine Metabolism 78 NAMED FKTXRTPBUWLETL-UHFFFAOYSA-N O=C(O)C(NC(C)=O)CC1=CN=CN1C N-acetyl-3-methylhistidine* 37841-04-6 19993498 HMDB0240341 193270 Neg cinnamoylglycine 100002253 209 38637 141886 Xenobiotics Food Component/Plant 4888 NAMED YAADMLWHGMUGQL-VOTSOKGWSA-N O=C(NCC(O)=O)/C=C/C1=CC=CC=C1 cinnamoylglycine 16534-24-0 618829 HMDB0011621 709625 Neg (12 or 13)-methylmyristate (a15:0 or i15:0) 100002344 209 38293 141840 Lipid Fatty Acid, Branched 1660 NAMED ZOCYQVNGROEVLU-UHFFFAOYSA-N CC(C)CCCCCCCCCCCC(O)=O (12 or 13)-methylmyristate (a15:0 or i15:0) 2485-71-4 133106 HMDB0061707 151014 Neg (16 or 17)-methylstearate (a19:0 or i19:0) 100002356 209 38296 141846 Lipid Fatty Acid, Branched 1671 NAMED YETXGSGCWODRAA-UHFFFAOYSA-N OC(CCCCCCCCCCCCCCCC(C)C)=O (16 or 17)-methylstearate (a19:0 or i19:0) 2724-59-6 2340933 HMDB0037397 3083779 Neg ibuprofen acyl glucuronide 100002406 209 38366 141868 Xenobiotics Drug - Analgesics, Anesthetics 5442 NAMED ABOLXXZAJIAUGR-JPMMFUSZSA-N CC(C)CC1=CC=C(C(C(O[C@H]2[C@H](O)[C@@H](O)[C@H](O)[C@@H]([C@](O)=O)O2)=O)C)C=C1 ibuprofen acyl glucuronide 115075-59-7 143793 HMDB0010343 163959 Neg allopurinol riboside 100002454 209 38321 141858 Xenobiotics Drug - Metabolic 5844 NAMED KFQUAMTWOJHPEJ-DAGMQNCNSA-N O[C@@H]1[C@@H](CO)O[C@@H](N2C(N=CN=C3O)=C3C=N2)[C@@H]1O allopurinol riboside 16220-07-8 HMDB0000481 135407110 Neg 2-arachidonoyl-GPI (20:4)* 100002470 209 38077 149698 Lipid Lysophospholipid 2755 NAMED OJFNCVWSQAZLNM-WQHTYANMSA-N [H]C(C(O)(C(O)([C@](O)1[H])[H])[H])([C@@](OP(O)(O[C@](COC(CCC/C=CC/C=CC/C=CC/C=CCCCCC)=O)(CO)[H])=O)([C@]1(O)[H])[H])O 2-arachidonoyl-GPI (20:4)* LPI 20:4 LPI 20:4 LPI 0:0/20:4 Neg isoursodeoxycholate 100002488 209 57577 212130 Lipid Secondary Bile Acid Metabolism 3542 NAMED RUDATBOHQWOJDD-DNMBCGTGSA-N O=C(O)CC[C@@H](C)[C@H]1CC[C@@]2([H])[C@]3([H])[C@@H](O)C[C@]4([H])C[C@@H](O)CC[C@]4(C)[C@@]3([H])CC[C@@]21C isoursodeoxycholate 78919-26-3 113205 HMDB0000686 C17662 127601 Neg sulfate* 100002528 209 46960 148213 Xenobiotics Chemical 6130 NAMED QAOWNCQODCNURD-UHFFFAOYSA-N OS(O)(=O)=O sulfate* 14808-79-8 1086 HMDB01448 C00059 5152822 Neg pantoate 100002613 209 63061 221678 Cofactors and Vitamins Pantothenate and CoA Metabolism 4369 NAMED OTOIIPJYVQJATP-BYPYZUCNSA-N OC([C@H](O)C(C)(C)CO)=O pantoate 470-29-1 388387 HMDB0240389 C00522 5289105 Neg 6-aminopenicillanate 100002627 209 38655 153618 Xenobiotics Drug - Antibiotic 5512 NAMED NGHVIOIJCVXTGV-ALEPSDHESA-N CC1(C)[C@H]([C@](O)=O)N2C([C@@H](N)[C@@]2([H])S1)=O 6-aminopenicillanate 551-16-6 10611 HMDB0060618 C02954 11082 Neg omeprazole 100002725 209 38600 141876 Xenobiotics Drug - Gastrointestinal 5788 NAMED SUBDBMMJDZJVOS-UHFFFAOYSA-N O=S(C1=NC2=C(C=C(C=C2)OC)N1)CC3=NC=C(C(OC)=C3C)C omeprazole 73590-58-6 4433 HMDB0001913 C07324 4594 Neg hydrochlorothiazide 100002734 209 39625 141926 Xenobiotics Drug - Cardiovascular 5727 NAMED JZUFKLXOESDKRF-UHFFFAOYSA-N ClC1=C(C=C2S(=O)(NCNC2=C1)=O)S(=O)(N)=O hydrochlorothiazide 58-93-5 3513 HMDB0001928 C07041 3639 Neg S-methylcysteine 100002749 209 39592 141914 Amino Acid Methionine, Cysteine, SAM and Taurine Metabolism 464 NAMED IDIDJDIHTAOVLG-VKHMYHEASA-N OC([C@H](CSC)N)=O S-methylcysteine 1187-84-4 22826 HMDB0002108 24417,7058174,88180 Neg androsterone glucuronide 100002761 209 61846 218457 Lipid Androgenic Steroids 3372 NAMED VFUIRAVTUVCQTF-BSOWLZGZSA-N O[C@H]1[C@H](O)[C@@H]([C@](O)=O)O[C@@H](O[C@@H]2CC[C@@]3(C)[C@](CC[C@]4([H])[C@]3([H])CC[C@@]5(C)[C@@]4([H])CCC5=O)([H])C2)[C@@H]1O androsterone glucuronide 1852-43-3 102793 HMDB0002829 C11135 114833 Neg cis-4-decenoate (10:1n6)* 100002796 209 62873 220667 Lipid Medium Chain Fatty Acid 1518 NAMED XKZKQTCECFWKBN-SREVYHEPSA-N OC(CCC=C/CCCCC)=O cis-4-decenoate (10:1n6)* 505-90-8 4471776 HMDB0004980 5282726 Neg atorvastatin 100002802 209 38619 141882 Xenobiotics Drug - Metabolic 5820 NAMED XUKUURHRXDUEBC-KAYWLYCHSA-N FC(C=C1)=CC=C1C2=C(C3=CC=CC=C3)C(C(NC4=CC=CC=C4)=O)=C(C(C)C)N2CC[C@H](C[C@H](CC(O)=O)O)O atorvastatin 134523-03-8 54810 HMDB0005006 D07474,D02258,D00887 60822 Neg celecoxib 100002805 209 38599 141874 Xenobiotics Drug - Analgesics, Anesthetics 5453 NAMED RZEKVGVHFLEQIL-UHFFFAOYSA-N FC(F)(C1=NN(C(C=C2)=CC=C2S(=O)(N)=O)C(C3=CC=C(C)C=C3)=C1)F celecoxib 169590-42-5 2562 HMDB0005014 D00567,C07589 2662 Neg gabapentin 100002806 209 38686 141902 Xenobiotics Drug - Neurological 5872 NAMED UGJMXCAKCUNAIE-UHFFFAOYSA-N NCC1(CCCCC1)CC(O)=O gabapentin 60142-96-3 3328 HMDB0005015 D00332 3446 Neg pantoprazole 100002808 209 38609 153594 Xenobiotics Drug - Gastrointestinal 5790 NAMED IQPSEEYGBUAQFF-UHFFFAOYSA-N COC1=C(C(CS(C2=NC3=CC=C(C=C3N2)OC(F)F)=O)=NC=C1)OC pantoprazole 102625-70-7 4517 HMDB0005017 C11806 4679 Neg leukotriene B5 100002813 209 46342 144969 Lipid Eicosanoid 2175 NAMED BISQPGCQOHLHQK-HDNPQISLSA-N O[C@H](/C=CC=CC=C[C@@H](C/C=CC/C=CCC)O)CCCC(O)=O leukotriene B5 88763-92-9 4446249 HMDB0005073 5283125 Neg glycoursodeoxycholate 100002911 209 39379 143714 Lipid Secondary Bile Acid Metabolism 3547 NAMED GHCZAUBVMUEKKP-XROMFQGDSA-N [H][C@]1([C@H](C)CCC(NCC(O)=O)=O)CC[C@@]2([H])[C@]3([H])[C@@H](O)C[C@]4([H])C[C@H](O)CC[C@]4(C)[C@@]3([H])CC[C@@]21C glycoursodeoxycholate 64480-66-6 19973534 HMDB0000708 12310288 Neg tauroursodeoxycholate 100002912 209 39378 143716 Lipid Secondary Bile Acid Metabolism 3551 NAMED BHTRKEVKTKCXOH-BWIGJTJCSA-N O=C(NCCS(=O)(O)=O)CC[C@@H](C)C1CC[C@@]2([H])[C@]3([H])[C@@H](O)CC4C[C@H](O)CC[C@]4(C)[C@@]3([H])CC[C@@]21C tauroursodeoxycholate 14605-22-2 24539842 HMDB0000874 9848818 Neg 3-(4-hydroxyphenyl)propionate 100002914 209 39587 141912 Xenobiotics Benzoate Metabolism 4608 NAMED NMHMNPHRMNGLLB-UHFFFAOYSA-N OC1=CC=C(CCC(O)=O)C=C1 3-(4-hydroxyphenyl)propionate 501-97-3 9965 HMDB0002199 C01744 10394 Neg (14 or 15)-methylpalmitate (a17:0 or i17:0) 100002945 209 38768 143701 Lipid Fatty Acid, Branched 1665 NAMED IIUXHTGBZYEGHI-UHFFFAOYSA-N CC(CCCCCCCCCCCCCC(O)=O)C (14 or 15)-methylpalmitate (a17:0 or i17:0) HMDB0061859 C16995 8181,17903417 Neg eicosanedioate (C20-DC) 100002951 209 39831 141952 Lipid Fatty Acid, Dicarboxylate 1725 NAMED JJOJFIHJIRWASH-UHFFFAOYSA-N O=C(O)CCCCCCCCCCCCCCCCCCC(O)=O eicosanedioate (C20-DC) 2424-92-2 68030 75502 Neg docosadioate (C22-DC) 100002952 209 39837 141956 Lipid Fatty Acid, Dicarboxylate 1727 NAMED DGXRZJSPDXZJFG-UHFFFAOYSA-N O=C(O)CCCCCCCCCCCCCCCCCCCCC(O)=O docosadioate (C22-DC) 505-56-6 214170 C14240 7641 Neg 16-hydroxypalmitate 100002953 209 39609 141922 Lipid Fatty Acid, Monohydroxy 2033 NAMED UGAGPNKCDRTDHP-UHFFFAOYSA-N OC(CCCCCCCCCCCCCCCO)=O 16-hydroxypalmitate 506-13-8 10034 HMDB0006294 C18218 10466 Neg vancomycin 100002992 209 39798 141950 Xenobiotics Drug - Antibiotic 5514 NAMED MYPYJXKWCTUITO-LYRMYLQWSA-N CC(C[C@@H](NC)C(N[C@@H](C(N[C@@H](CC(N)=O)C(N[C@@H](C(N[C@H](C1=CC(C2=C([C@@H]([C@](O)=O)N3)C=C(O)C=C2O)=C(O)C=C1)C(N[C@@H]([C@H](O)C4=CC=C(O5)C(Cl)=C4)C3=O)=O)=O)C6=CC7=C(O[C@H]8[C@H](O[C@@H]9O[C@@H](C)[C@@H](O)[C@](N)(C)C9)[C@@H](O)[C@H](O)[C@@H](CO)O8)C5=C6)=O)=O)[C@H](O)C%10=CC(Cl)=C(O7)C=C%10)=O)C vancomycin 123409-00-7 14253 HMDB0014653 C06689,D00212 14969 Neg 2-stearoyl-GPI (18:0)* 100003008 209 39223 149867 Lipid Lysophospholipid 2745 NAMED GRWOGFDNIAYTPK-DTNGDMSLSA-N [H]C(C(O)(C(O)([C@](O)1[H])[H])[H])([C@@](OP(O)(O[C@](COC(CCCCCCCCCCCCCCCCC)=O)(CO)[H])=O)([C@]1(O)[H])[H])O 2-stearoyl-GPI (18:0)* LPI 18:0 LPI 18:0 LPI 0:0/18:0 HMDB0061704 131770413 Neg galactosylglycerol 100003064 209 57345 210847 Lipid Galactosyl Glycerolipids 2995 NAMED NHJUPBDCSOGIKX-NTXXKDEISA-N O[C@H]1[C@@H](O)[C@@H](CO)O[C@@H](OC[C@H](O)CO)[C@@H]1O galactosylglycerol 16232-91-0 10263569 HMDB0006790 C05401 16048618 Neg alpha-CEHC glucuronide* 100003101 209 39346 144302 Cofactors and Vitamins Tocopherol Metabolism 4404 NAMED MWDYOFPRWKTECC-UHFFFAOYSA-N OC(C1C(O)C(O)C(O)C(OC2=C(C)C(C)=C(OC(C)(CCC(O)=O)CC3)C3=C2C)O1)=O alpha-CEHC glucuronide* 477200-36-5 HMDB0062445 134819285 Neg N-oleoyltaurine 100003119 209 39732 143757 Lipid Endocannabinoid 2195 NAMED KOGRJTUIKPMZEJ-KTKRTIGZSA-N O=C(CCCCCCC/C=CCCCCCCCC)NCCS(O)(=O)=O N-oleoyltaurine 52514-04-2 4941625 6437033 Neg isoleucylglycine 100003169 209 40008 141960 Peptide Dipeptide 870 NAMED UCGDDTHMMVWVMV-UHFFFAOYSA-N O=C(C(C(CC)C)N)NCC(O)=O isoleucylglycine 868-28-0 303621 HMDB0028907 342532 Neg N-palmitoyltaurine 100003239 209 39835 141954 Lipid Endocannabinoid 2197 NAMED LPDJCYFKKSLKRO-UHFFFAOYSA-N O=C(NCCS(=O)(O)=O)CCCCCCCCCCCCCCC N-palmitoyltaurine 83982-06-3 14435932 14504290 Neg N-stearoyltaurine 100003240 209 39730 143759 Lipid Endocannabinoid 2196 NAMED LMIJIHJZVURGQK-UHFFFAOYSA-N O=C(CCCCCCCCCCCCCCCCC)NCCS(=O)(O)=O N-stearoyltaurine 63155-80-6 147194 168274 Neg 2-O-methylascorbic acid 100003258 209 63990 232911 Cofactors and Vitamins Ascorbate and Aldarate Metabolism 4386 NAMED RMHBODZVODTFAH-UHFFFAOYSA-N OC1=C(OC)C(C(C(CO)O)O1)=O 2-O-methylascorbic acid 17860-87-6 90149 HMDB0240294 54726398 Neg beta-citrylglutamate 100003271 209 54923 208316 Amino Acid Glutamate Metabolism 58 NAMED GAQNUGISBQJMKO-UHFFFAOYSA-N OC(CC(C(NC(CCC(O)=O)C(O)=O)=O)(CC(O)=O)O)=O beta-citrylglutamate 73590-26-8 19992713 C20775 189741 Neg dihydroferulate 100003432 209 40481 143017 Xenobiotics Food Component/Plant 4914 NAMED BOLQJTPHPSDZHR-UHFFFAOYSA-N O=C(CCC1=CC=C(O)C(OC)=C1)O dihydroferulate 1135-23-5 13701 HMDB0062121 14340 Neg pregnanediol-3-glucuronide 100003470 209 40708 143065 Lipid Progestin Steroids 3315 NAMED ZFFFJLDTCLJDHL-JQYCEVDMSA-N [H][C@]12CC[C@]3([C@@]4(CC[C@]([C@@H](O)C)([C@]4(CC[C@@]3([C@]1(CC[C@@H](O[C@@H]5O[C@H]([C@](O)=O)[C@H]([C@@H]([C@H]5O)O)O)C2)C)[H])C)[H])[H])[H] pregnanediol-3-glucuronide 1852-49-9 110346 HMDB0010318 123796 Neg N-palmitoylglycine 100003686 209 42092 143937 Lipid Fatty Acid Metabolism (Acyl Glycine) 1846 NAMED KVTFEOAKFFQCCX-UHFFFAOYSA-N O=C(CCCCCCCCCCCCCCC)NCC(O)=O N-palmitoylglycine 2441-41-0 133100 HMDB0013034 151008 Neg succinimide 100003696 209 41888 143923 Xenobiotics Chemical 6243 NAMED KZNICNPSHKQLFF-UHFFFAOYSA-N O=C1NC(CC1)=O succinimide 123-56-8 10955 C07273 11439 Neg 2-stearoyl-GPE (18:0)* 100003901 209 41220 142786 Lipid Lysophospholipid 2693 NAMED KIHAGWUUUHJRMS-JOCHJYFZSA-N OC[C@@H](OC(CCCCCCCCCCCCCCCCC)=O)COP(OCC[NH3+])([O-])=O 2-stearoyl-GPE (18:0)* LPE 18:0 LPE 18:0 LPE 0:0/18:0 24769218 HMDB0011129 90658453,53480667 Neg 5-hydroxymethyl-2-furoic acid 100003954 209 42040 145179 Amino Acid Tyrosine Metabolism 226 NAMED PCSKKIUURRTAEM-UHFFFAOYSA-N O=C(C1=CC=C(CO)O1)O 5-hydroxymethyl-2-furoic acid 6338-41-6 72827 HMDB0002432 C20448 80642 Neg famotidine 100003964 209 42613 152900 Xenobiotics Drug - Gastrointestinal 5786 NAMED XUFQPHANEAPEMJ-UHFFFAOYSA-N O=S(/N=C(CCSCC1=CSC(/N=C(N)N)=N1)/N)(N)=O famotidine 76824-35-6 3208 HMDB0001919 D00318 5702160 Neg dexamethasone 100004014 209 42618 221462 Xenobiotics Drug - Antiinflammatory, Immunosuppressant 5628 NAMED UREBDLICKHMUKA-CXSFZGCWSA-N O=[C@@]([C@@]1([C@@]2(C)C[C@@H]([C@@]3([C@]4(C)C(CC[C@H]3[C@@H]2C[C@H]1C)=CC(C=C4)=O)F)O)O)CO dexamethasone 50-02-2 5541 HMDB0015364 D00292,C15643 5743 Neg N-acetylcarnosine 100004046 209 43488 144001 Amino Acid Histidine Metabolism 89 NAMED BKAYIFDRRZZKNF-VIFPVBQESA-N OC([C@H](CC1=CN=CN1)NC(CCNC(C)=O)=O)=O N-acetylcarnosine 56353-15-2 8079136 HMDB0012881 9903482 Neg glycohyocholate 100004083 209 42574 143947 Lipid Secondary Bile Acid Metabolism 3559 NAMED ZQYUKJFJPJDMMR-JPZDKMBBSA-N C[C@@]([C@@]1([H])C[C@@H]2O)(CC2)[C@](CC3)([H])[C@]([C@H](O)[C@@H]1O)([H])[C@@](CC4)([H])[C@]3(C)[C@H]4[C@H](C)CCC(NCC(O)=O)=O glycohyocholate HMDB0000138 71361462 Neg taurohyocholate* 100004084 209 42603 219576 Lipid Secondary Bile Acid Metabolism 3560 NAMED XSOLDPYUICCHJX-QZWOQUDZSA-N O[C@H]1C(C2[C@](CC[C@H]3O)(C)C(C3)[C@H]1O)C4[C@@](CC2)(C)C([C@H](C)CCC(NCCS(O)(=O)=O)=O)CC4 taurohyocholate* HMDB0011637 C15516 11954195 Neg 2-hydroxydecanoate 100004089 209 42489 144357 Lipid Fatty Acid, Monohydroxy 1985 NAMED GHPVDCPCKSNJDR-UHFFFAOYSA-N OC(C(O)=O)CCCCCCCC 2-hydroxydecanoate 5393-81-7 20195 HMDB0094656 21488 Neg 4-methylcatechol sulfate 100004111 209 46146 144253 Xenobiotics Benzoate Metabolism 4540 NAMED NCOMUGOPQPRVSE-UHFFFAOYSA-N OC1=CC(C)=CC=C1OS(O)(=O)=O 4-methylcatechol sulfate HMDB0240459 54104170 Neg 3-methyl catechol sulfate (1) 100004112 209 46165 144278 Xenobiotics Benzoate Metabolism 4537 NAMED HFDKYCXWNHNKAF-UHFFFAOYSA-N OC1=C(C)C=CC=C1OS(O)(=O)=O 3-methyl catechol sulfate (1) 118431379 Neg warfarin 100004175 209 43335 143989 Xenobiotics Drug - Cardiovascular 5702 NAMED PJVWKTKQMONHTI-UHFFFAOYSA-N O=C1C(C(C2=CC=CC=C2)CC(C)=O)=C(O)C(C=CC=C3)=C3O1 warfarin 5543-57-7 HMDB0001935 DG00149,D08682,C01541 54678486 Neg 3beta-hydroxy-5-cholenoate 100004182 209 43507 144005 Lipid Secondary Bile Acid Metabolism 3572 NAMED HIAJCGFYHIANNA-QIZZZRFXSA-N O[C@@H]1CC2=CC[C@@]([C@@]3([H])[C@@]2(C)CC1)([H])[C@@]4([H])[C@@](CC3)(C)[C@]([C@H](C)CCC(O)=O)([H])CC4 3beta-hydroxy-5-cholenoate 5255-17-4 83950 HMDB0000308 92997 Neg homoveratric acid 100004189 209 43508 150394 Xenobiotics Drug - Neurological 5888 NAMED WUAXWQRULBZETB-UHFFFAOYSA-N COC1=CC=C(C=C1OC)CC(O)=O homoveratric acid 93-40-3 6872 HMDB0000434 7139 Neg 3-dehydrochenodeoxycholate 100004194 209 64097 235199 Lipid Secondary Bile Acid Metabolism 3519 NAMED KNVADAPHVNKTEP-KNKJOJGFSA-N CC(C1CCC2C(C3CC[C@]12C)C(CC4CC(CC[C@@]43C)=O)O)CCC(O)=O 3-dehydrochenodeoxycholate 4185-00-6 HMDB0000503 5283932 Neg guaiacol sulfate 100004208 209 46111 143736 Xenobiotics Benzoate Metabolism 4536 NAMED AQTYXAPIHMXAAV-UHFFFAOYSA-N COC1=C(OS(O)(=O)=O)C=CC=C1 guaiacol sulfate 21078 HMDB0060013 22473 Neg furosemide 100004241 209 43009 143973 Xenobiotics Drug - Cardiovascular 5717 NAMED ZZUFCTLCJUWOSV-UHFFFAOYSA-N NS(=O)(C1=C(C=C(C(C(O)=O)=C1)NCC2=CC=CO2)Cl)=O furosemide 54-31-9 3322 HMDB0001933 D00331 3440 Neg gamma-CEHC glucuronide* 100004243 209 42381 144301 Cofactors and Vitamins Tocopherol Metabolism 4403 NAMED NOZSTAZEOBPSBY-UHFFFAOYSA-N OC(C1C(O)C(O)C(O)C(OC2=C(C)C(C)=C(OC(C)(CCC(O)=O)CC3)C3=C2)O1)=O gamma-CEHC glucuronide* 121596235 Neg guaifenesin 100004286 209 43390 179119 Xenobiotics Drug - Respiratory 5991 NAMED HSRJKNPTNIJEKV-UHFFFAOYSA-N COC1=CC=CC=C1OCC(CO)O guaifenesin 93-14-1 3396 HMDB0004998 D00337 3516 Neg 2,8-quinolinediol sulfate 100004321 209 48691 207569 Xenobiotics Food Component/Plant 4812 NAMED ZLYUIVZAQHFCNP-UHFFFAOYSA-N O=C1C=CC2=CC=CC(OS(=O)(O)=O)=C2N1 2,8-quinolinediol sulfate HMDB0240658 Neg 2-aminophenol sulfate 100004322 209 43266 143737 Xenobiotics Food Component/Plant 5286 NAMED VSTZVCJQGSLNLL-UHFFFAOYSA-N NC1=CC=CC=C1OS(O)(=O)=O 2-aminophenol sulfate 158022 HMDB0061116 181670 Neg 3-acetylphenol sulfate 100004326 209 48693 207571 Xenobiotics Chemical 6151 NAMED CGFRVKXGZRODPA-UHFFFAOYSA-N CC(C1=CC=CC(OS(=O)(O)=O)=C1)=O 3-acetylphenol sulfate 16230535 Neg 1-stearoyl-GPS (18:0)* 100004327 209 45966 148646 Lipid Lysophospholipid 2725 NAMED ZPDQFUYPBVXUKS-KEKNWZKVSA-N O=P(O)(OCC(O)COC(CCCCCCCCCCCCCCCCC)=O)OC[C@@H](C(O)=O)N 1-stearoyl-GPS (18:0)* LPS 18:0 LPS 18:0 LPS 18:0/0:0 7826051 HMDB0061698 74819135 Neg 2-hydroxyphytanate* 100004414 209 61702 218007 Lipid Fatty Acid, Branched 1677 NAMED CGKMKXBKVBXUGK-UHFFFAOYSA-N OC(C(O)=O)C(C)CCCC(C)CCCC(C)CCCC(C)C 2-hydroxyphytanate* 14721-68-7 164249 HMDB0061666 189026 Neg 3-hydroxycotinine glucuronide 100004494 209 43470 151111 Xenobiotics Tobacco Metabolite 4649 NAMED WALNNKZUGHYSCT-MGKNELHOSA-N CN(C1=O)[C@@H](C[C@H]1O[C@@H]2O[C@H](C(O)=O)[C@@H](O)[C@H](O)[C@H]2O)C3=CN=CC=C3 3-hydroxycotinine glucuronide 132929-88-5 159230 HMDB0001204 53477725 Neg 6-oxopiperidine-2-carboxylate 100004499 209 43231 143979 Amino Acid Lysine Metabolism 136 NAMED FZXCPFJMYOQZCA-UHFFFAOYSA-N OC(C1CCCC(N1)=O)=O 6-oxopiperidine-2-carboxylate 34622-39-4 2282737 HMDB0061705 3014237 Neg allopurinol 100004518 209 43534 150400 Xenobiotics Drug - Metabolic 5843 NAMED OFCNXPDARWKPPY-UHFFFAOYSA-N OC1=NC=NC2=C1C=NN2 allopurinol 315-30-0 2010 HMDB0014581 D00224 135401907 Neg N-delta-acetylornithine 100004523 209 43249 124707 Amino Acid Urea cycle; Arginine and Proline Metabolism 516 NAMED SRXKAYJJGAAOBP-UHFFFAOYSA-N CC(NCCCC(N)C(O)=O)=O N-delta-acetylornithine 8096135 HMDB0003357 C00437 9920500 Neg acisoga 100004541 209 43258 144587 Amino Acid Polyamine Metabolism 560 NAMED OAUYENAPBFTAQT-UHFFFAOYSA-N O=C1N(CCCN([H])C(C)=O)CCC1 acisoga 7663-77-6 114601 HMDB0061384 129397 Neg N-formylanthranilic acid 100004561 209 43549 212072 Amino Acid Tryptophan Metabolism 280 NAMED LLLPDUXGHXIXIW-UHFFFAOYSA-N OC(C1=CC=CC=C1N([H])C=O)=O N-formylanthranilic acid 3342-77-6 91624 HMDB0004089 C05653 101399 Neg S-(3-hydroxypropyl)mercapturic acid (HPMA) 100004568 209 44552 144009 Xenobiotics Chemical 6182 NAMED FMWPQZPFBAHHMB-UHFFFAOYSA-N OC(C(CSCCCO)NC(C)=O)=O S-(3-hydroxypropyl)mercapturic acid (HPMA) 23127-40-4 2616726 119083 Neg N2,N5-diacetylornithine 100004575 209 43591 153118 Amino Acid Urea cycle; Arginine and Proline Metabolism 518 NAMED XUYANFPPYJSBPU-UHFFFAOYSA-N OC(C(CCCNC(C)=O)N([H])C(C)=O)=O N2,N5-diacetylornithine 39825-23-5 8573834 HMDB0240345 65977 Neg 3-methoxytyramine sulfate 100004634 209 44618 143738 Amino Acid Tyrosine Metabolism 212 NAMED ORZHQEJEAKXCJA-UHFFFAOYSA-N NCCC1=CC(OC)=C(OS(=O)(O)=O)C=C1 3-methoxytyramine sulfate 21233674 54133459 Neg 1-dihomo-linolenoyl-GPE (20:3n3 or 6)* 100005371 209 44630 142531 Lipid Lysophospholipid 2706 NAMED RNWSKZCVPICGIX-DQXFYRDTSA-N O=C(CCCCCC/C=CC/C=CC/C=CCCCCC)OC[C@@](O)([H])COP(OCCN)(O)=O 1-dihomo-linolenoyl-GPE (20:3n3 or 6)* LPE 20:3 LPE 20:3 LPE 20:3/0:0 HMDB0011514,HMDB0011516 Neg 1-eicosenoyl-GPE (20:1)* 100005376 209 62352 219482 Lipid Lysophospholipid 2703 NAMED JEAGLCKGAKACCE-MDZDMXLPSA-N O=P(OCC(O)COC(CCCCCCCCC/C=C/CCCCCCCC)=O)(O)OCCN 1-eicosenoyl-GPE (20:1)* LPE 20:1 LPE 20:1 LPE 20:1/0:0 HMDB0011518 52925139 Neg O-sulfo-tyrosine 100005384 209 45413 143779 Xenobiotics Chemical 6133 NAMED CIQHWLTYGMYQQR-QMMMGPOBSA-N OS(OC1=CC=C(C[C@H](N)C(O)=O)C=C1)(=O)=O O-sulfo-tyrosine 448617 HMDB0155722 514186 Neg ferulic acid 4-sulfate 100005389 209 47114 149387 Xenobiotics Food Component/Plant 4936 NAMED PZPATWACAAOHTJ-HWKANZROSA-N COC1=C(OS(O)(=O)=O)C=CC(/C=C/C(O)=O)=C1 ferulic acid 4-sulfate 86321-29-1 4878542 HMDB0029200 6305574 Neg 3-(3-hydroxyphenyl)propionate sulfate 100005391 209 45415 153117 Xenobiotics Benzoate Metabolism 4603 NAMED IQWLPDPKVFZEOK-UHFFFAOYSA-N OS(OC1=CC=CC(CCC(O)=O)=C1)(=O)=O 3-(3-hydroxyphenyl)propionate sulfate 86321-32-6 162993 HMDB0094710 187488 Neg 5alpha-androstan-3alpha,17beta-diol 17-glucuronide 100005396 209 47132 149409 Lipid Androgenic Steroids 3413 NAMED ZJYZOWMDMWQJIV-UPDIMMRZSA-N O[C@@H]1CC[C@]2(C)[C@]3([H])[C@](CCC2C1)([H])[C@@](CC4)([H])[C@@](CC3)(C)[C@H]4O[C@@H]([C@@H]([C@H]5O)O)O[C@H](C(O)=O)[C@H]5O 5alpha-androstan-3alpha,17beta-diol 17-glucuronide Neg 11-ketoetiocholanolone glucuronide 100005402 209 47135 149413 Lipid Androgenic Steroids 3368 NAMED QTXWOOLAHRQMGZ-NFZJBPARSA-N O=C1C2[C@](CC[C@H]3OC4[C@H](O)[C@@H](O)[C@H](O)[C@@H](C(O)=O)O4)(C)[C@](C3)([H])CCC2C(CCC5=O)[C@]5(C)C1 11-ketoetiocholanolone glucuronide 17181-16-7 Neg etiocholanolone glucuronide 100005403 209 47112 149383 Lipid Androgenic Steroids 3385 NAMED VFUIRAVTUVCQTF-ILTUOXSPSA-N O=C1[C@](CC2)(C)C(CC1)C3C2[C@](CC[C@H]4OC5[C@H](O)[C@@H](O)[C@H](O)[C@@H](C(O)=O)O5)(C)[C@](C4)([H])CC3 etiocholanolone glucuronide 3602-09-3 HMDB0004484 270605 Neg 17alpha-hydroxypregnanolone glucuronide 100005418 209 47403 149441 Lipid Pregnenolone Steroids 3280 NAMED IZDWMNZNEAXAFE-CQQKWVOPSA-N O=C(C)[C@]1(O)[C@]2(C)C(CC1)C3C(CC2)[C@](CC[C@@H](OC4[C@H](O)[C@@H](O)[C@H](O)[C@@H]([C@@](O)=O)O4)C5)(C)[C@@]5([H])CC3 17alpha-hydroxypregnanolone glucuronide Neg N-acetyltaurine 100005466 209 48187 153116 Amino Acid Methionine, Cysteine, SAM and Taurine Metabolism 480 NAMED CXJAAWRLVGAKDV-UHFFFAOYSA-N O=S(CCNC(C)=O)(O)=O N-acetyltaurine 140553 HMDB0240253 159864 Neg 1-oleoyl-GPG (18:1)* 100005716 209 45968 144192 Lipid Lysophospholipid 2736 NAMED FQQQKGAFQIIGLQ-VYFUBJQISA-N O[C@H](COC(CCCCCCC/C=CCCCCCCCC)=O)COP(OCC(O)CO)(O)=O 1-oleoyl-GPG (18:1)* LPG 18:1 LPG 18:1 LPG 18:1/0:0 34999689 HMDB0240602 Neg 1-palmitoyl-GPG (16:0)* 100005717 209 45970 144193 Lipid Lysophospholipid 2731 NAMED BVJSKAUUFXBDOB-UHFFFAOYSA-N O=P(OCC(O)CO)(O)OCC(O)COC(CCCCCCCCCCCCCCC)=O 1-palmitoyl-GPG (16:0)* LPG 16:0 LPG 16:0 LPG 16:0/0:0 2548639 HMDB0240601 3300276 Neg 9-hydroxystearate 100005834 209 47120 149393 Lipid Fatty Acid, Monohydroxy 2025 NAMED RKHXDCVAPIMDMG-UHFFFAOYSA-N OC(CCCCCCCC(O)=O)CCCCCCCCC 9-hydroxystearate 25498-28-6 7844595 HMDB0061661 9570127 Neg methyl glucopyranoside (alpha + beta) 100005864 209 46144 144231 Xenobiotics Food Component/Plant 5126 NAMED HOVAGTYPODGVJG-ZFYZTMLRSA-N O[C@H]1[C@@H]([C@H]([C@H](O[C@@H]1CO)OC)O)O methyl glucopyranoside (alpha + beta) HMDB0029965 445238,3036743,2108 Neg o-hydroxyatorvastatin 100005933 209 47883 150409 Xenobiotics Drug - Metabolic 5823 NAMED CZBPKFICAYVHHM-JWQCQUIFSA-N FC1=CC=C(C=C1)C2=C(C3=CC=CC=C3)C(C(N([H])C4=CC=CC=C4O)=O)=C(C(C)C)N2CC[C@H](C[C@H](CC(O)=O)O)O o-hydroxyatorvastatin 214217-86-4 7983984 9808225 Neg p-hydroxyatorvastatin 100005939 209 47881 150408 Xenobiotics Drug - Metabolic 5826 NAMED SOZOATLLFFVAPM-KAYWLYCHSA-N FC1=CC=C(C=C1)C2=C(C3=CC=CC=C3)C(C(N([H])C(C=C4)=CC=C4O)=O)=C(C(C)C)N2CC[C@H](C[C@H](CC(O)=O)O)O p-hydroxyatorvastatin 265989-44-4 8026819 9851106 Neg alpha-CEHC sulfate 100005972 209 47666 153114 Cofactors and Vitamins Tocopherol Metabolism 4405 NAMED ZQMMTPNJGWUHCB-UHFFFAOYSA-N CC1=C(OS(O)(=O)=O)C(C)=C2C(OC(C)(CCC(O)=O)CC2)=C1C alpha-CEHC sulfate Neg alpha-CMBHC glucuronide 100005977 209 63926 223841 Cofactors and Vitamins Tocopherol Metabolism 4393 NAMED DYOFESDCRUIQTB-UHFFFAOYSA-N OC(C1C(O)C(O)C(O)C(OC2=C(C)C(C)=C(OC(C)(CCCC(C)C(O)=O)CC3)C3=C2C)O1)=O alpha-CMBHC glucuronide Neg 5alpha-androstan-3alpha,17beta-diol monosulfate (2) 100006005 209 37185 144272 Lipid Androgenic Steroids 3411 NAMED LERFMBCTNMFXCT-ILBJSTGGSA-N C[C@@]12[C@](CCC3C2CC[C@@]4(C)C3CC[C@@H]4O)([H])C[C@H](OS(=O)(O)=O)CC1 5alpha-androstan-3alpha,17beta-diol monosulfate (2) 121596225 Neg N-formylphenylalanine 100006056 209 48433 155077 Amino Acid Tyrosine Metabolism 233 NAMED NSTPXGARCQOSAU-VIFPVBQESA-N OC([C@@H](NC=O)CC1=CC=CC=C1)=O N-formylphenylalanine 13200-85-6 663938 HMDB0240317 759256,7064571 Neg 4-hydroxychlorothalonil 100006082 209 48441 154475 Xenobiotics Chemical 6257 NAMED MDQKYGOECVSPIW-UHFFFAOYSA-N ClC1=C(C#N)C(Cl)=C(Cl)C(O)=C1C#N 4-hydroxychlorothalonil 28343-61-5 31530 HMDB0240624 34217 Neg tyramine O-sulfate 100006092 209 48408 155063 Amino Acid Tyrosine Metabolism 232 NAMED DYDUXGMDSXJQFT-UHFFFAOYSA-N NCCC1=CC=C(OS(O)(=O)=O)C=C1 tyramine O-sulfate 30223-92-8 134849 HMDB0006409 153005 Neg 4-hydroxycinnamate sulfate 100006095 209 48410 160464 Amino Acid Tyrosine Metabolism 236 NAMED OYDCCWNLILCHDJ-ZZXKWVIFSA-N O=C(O[H])/C=C/C1=CC=C(OS(=O)(O)=O)C=C1 4-hydroxycinnamate sulfate 308338-96-7 4797737 6070438 Neg 3-hydroxypyridine sulfate 100006098 209 48448 155087 Xenobiotics Chemical 6265 NAMED BDERIBJTVYFANV-UHFFFAOYSA-N O=S(OC1=CC=CN=C1)(O)=O 3-hydroxypyridine sulfate 1955-23-3 16232314 Neg m-tyramine sulfate 100006104 209 48417 219296 Amino Acid Tyrosine Metabolism 177 NAMED VWUXKIFPPPVAAK-UHFFFAOYSA-N [H]N([H])CCC1=CC(OS(=O)(O)=O)=CC=C1 m-tyramine sulfate 175727-14-7 Neg 4-methylguaiacol sulfate 100006105 209 48418 219297 Xenobiotics Benzoate Metabolism 4535 NAMED LILXPJXZNJTPQZ-UHFFFAOYSA-N CC1=CC=C(OS(=O)(O)=O)C(OC)=C1 4-methylguaiacol sulfate 756760-43-7 Neg maltol sulfate 100006106 209 48696 222424 Xenobiotics Food Component/Plant 4664 NAMED PVWYGTJERKKPRW-UHFFFAOYSA-N O=C1C=COC(C)=C1OS(=O)(O)=O maltol sulfate Neg methyl-4-hydroxybenzoate sulfate 100006116 209 48429 155073 Xenobiotics Benzoate Metabolism 4579 NAMED IBEAHXYYSZWGED-UHFFFAOYSA-N O=C(OC)C1=CC=C(OS(=O)(O)=O)C=C1 methyl-4-hydroxybenzoate sulfate HMDB0041646 10657183 Neg 21-hydroxypregnanolone disulfate 100006119 209 48431 155075 Lipid Pregnenolone Steroids 3288 NAMED SHIXQLKGLSFZQX-DATPGIFZSA-N C[C@@]1([C@](CC[C@@](C)2[C@H]3C(COS(=O)(O)=O)=O)([H])[C@]([C@@]2(CC3)[H])(CC4)[H])[C@@]4([H])C[C@H](OS(=O)(O)=O)CC1 21-hydroxypregnanolone disulfate Neg 1-dihomo-linolenylglycerol (20:3) 100006121 209 48341 153390 Lipid Monoacylglycerol 2888 NAMED LERKRWCYZNDWFH-QNEBEIHSSA-N OCC(O)COC(CCCCCC/C=CC/C=CC/C=CCCCCC)=O 1-dihomo-linolenylglycerol (20:3) MG 20:3 MG 20:3 Unknown HMDB0011577 Neg vanillic alcohol sulfate 100006125 209 48733 155115 Amino Acid Tyrosine Metabolism 234 NAMED LGXHPUANUXIBJQ-UHFFFAOYSA-N OCC1=CC(OC)=C(OS(O)(=O)=O)C=C1 vanillic alcohol sulfate 754920-02-0 HMDB0041788 Neg 4-vinylguaiacol sulfate 100006126 209 48442 155083 Xenobiotics Food Component/Plant 5152 NAMED FKCHAXAGQVCJPN-UHFFFAOYSA-N COC1=C(OS(O)(=O)=O)C=CC(C=C)=C1 4-vinylguaiacol sulfate HMDB0127980 53803570 Neg vanillactate 100006129 209 54910 208290 Amino Acid Tyrosine Metabolism 207 NAMED SVYIZYRTOYHQRE-UHFFFAOYSA-N OC1=C(OC)C=C(CC(C(O)=O)O)C=C1 vanillactate 2475-56-1 141152 HMDB0000913 160637 Neg eugenol sulfate 100006171 209 48715 155107 Xenobiotics Food Component/Plant 5158 NAMED XWAZTQUZONPJEW-UHFFFAOYSA-N COC1=CC(CC=C)=CC=C1OS(=O)(O)=O eugenol sulfate 95480-60-7 157181 HMDB0135245 180632 Neg pregnanolone/allopregnanolone sulfate 100006173 209 48394 154288 Lipid Progestin Steroids 3320 NAMED MENQCIVHHONJLU-GQCBXAOTSA-N C[C@]12C(C3CC[C@@]4(C[C@@H](CC[C@@]4(C3CC2)C)OS(=O)(O)=O)[H])CCC1C(C)=O pregnanolone/allopregnanolone sulfate HMDB0240591,HMDB0062782 C05480 31402,129699967 Neg chlorthalidone 100006181 209 54784 207669 Xenobiotics Drug - Cardiovascular 5736 NAMED JIVPVXMEBJLZRO-UHFFFAOYSA-N OC(N1)(C2=CC(S(N)(=O)=O)=C(Cl)C=C2)C(C=CC=C3)=C3C1=O chlorthalidone 77-36-1 2631 HMDB0014455 D00272 2732 Neg 2-methoxyresorcinol sulfate 100006184 209 48445 155085 Xenobiotics Chemical 6264 NAMED ARLAWMCEVZUXEY-UHFFFAOYSA-N OC1=CC=CC(OS(=O)(O)=O)=C1OC 2-methoxyresorcinol sulfate 1446269-78-8 Neg 2-acetamidophenol sulfate 100006190 209 48580 155103 Xenobiotics Food Component/Plant 5285 NAMED JCVGTUVGDOWZJE-UHFFFAOYSA-N CC(NC(C=CC=C1)=C1OS(=O)(O)=O)=O 2-acetamidophenol sulfate 40712-60-5 158023 181671 Neg p-cresol glucuronide* 100006191 209 48841 155015 Amino Acid Tyrosine Metabolism 231 NAMED JPAUCQAJHLSMQW-XPORZQOISA-N O[C@H]([C@@H](O)[C@@H]1O)[C@@H](O[C@@H]1C(O)=O)OC2=CC=C(C)C=C2 p-cresol glucuronide* 17680-99-8 135751 HMDB0011686 154035 Neg acesulfame 100006203 209 48569 179131 Xenobiotics Food Component/Plant 5079 NAMED YGCFIWIQZPHFLU-UHFFFAOYSA-N CC1=CC(NS(O1)(=O)=O)=O acesulfame 55589-62-3 33607 HMDB0033585 36573 Neg N-acetyl sulfapyridine 100006229 209 48680 218409 Xenobiotics Drug - Antibiotic 5534 NAMED CYLYVXPHAQLXFG-UHFFFAOYSA-N CC(NC(C=C1)=CC=C1S(NC2=NC=CC=C2)(=O)=O)=O N-acetyl sulfapyridine 19077-98-6 52841 58638 Neg valsartan 100006232 209 48566 179129 Xenobiotics Drug - Cardiovascular 5740 NAMED ACWBQPMHZXGDFX-UHFFFAOYSA-N O=C(O)C(C(C)C)N(C(CCCC)=O)CC1=CC=C(C2=CC=CC=C2C3=NN=NN3)C=C1 valsartan 137862-53-4 5448 HMDB0014323 60846 Neg olmesartan 100006239 209 53256 179177 Xenobiotics Drug - Cardiovascular 5741 NAMED VTRAEEWXHOVJFV-UHFFFAOYSA-N OC(C)(C)C1=C(C(O)=O)N(CC(C=C2)=CC=C2C(C=CC=C3)=C3C4=NN=NN4)C(CCC)=N1 olmesartan 144689-24-7 139674 HMDB0014420 D05246 158781 Neg 6-hydroxyindole sulfate 100006260 209 48698 166006 Xenobiotics Chemical 6279 NAMED QRHHXPIYYXPEMG-UHFFFAOYSA-N O=S(OC1=CC=C2C=CNC2=C1)(O)=O 6-hydroxyindole sulfate HMDB0000682 122198196 Neg 4-methoxyphenol sulfate 100006262 209 48457 219302 Amino Acid Tyrosine Metabolism 199 NAMED IGTMFIJOUADBDC-UHFFFAOYSA-N COC1=CC=C(OS(=O)(O)=O)C=C1 4-methoxyphenol sulfate 3233-60-1 Neg propyl 4-hydroxybenzoate sulfate 100006264 209 48460 155097 Xenobiotics Benzoate Metabolism 4581 NAMED WEKBGFBWJOHXKR-UHFFFAOYSA-N CCCOC(C1=CC=C(OS(=O)(O)=O)C=C1)=O propyl 4-hydroxybenzoate sulfate 162338-10-5 48063224 HMDB0135261 131838881 Neg 4'-hydroxypropiophenone sulfate 100006269 209 48461 155099 Xenobiotics Chemical 6277 NAMED DDBFFWABKYIRKH-UHFFFAOYSA-N CCC(C1=CC=C(OS(=O)(O)=O)C=C1)=O 4'-hydroxypropiophenone sulfate 99179-84-7 278963 315296 Neg ethylparaben sulfate 100006271 209 48463 155101 Xenobiotics Chemical 6274 NAMED LJXYMXIWXRFOHR-UHFFFAOYSA-N CCOC(C1=CC=C(OS(O)(=O)=O)C=C1)=O ethylparaben sulfate 162338-11-6 22908099 Neg umbelliferone sulfate 100006282 209 48674 155105 Xenobiotics Food Component/Plant 5155 NAMED LJOOSFYJELZGMR-UHFFFAOYSA-N O=C1C=CC2=CC=C(OS(=O)(O)=O)C=C2O1 umbelliferone sulfate 69526-88-1 114800 HMDB0240565 129659 Neg dopamine 4-sulfate 100006360 209 48406 155059 Amino Acid Tyrosine Metabolism 229 NAMED DEKNNWJXAQTLFA-UHFFFAOYSA-N O=S(OC1=CC=C(CCN)C=C1O)(O)=O dopamine 4-sulfate 110461 HMDB0004148 C13691 68517194 Neg dopamine 3-O-sulfate 100006361 209 48407 155061 Amino Acid Tyrosine Metabolism 230 NAMED NZKRYJGNYPYXJZ-UHFFFAOYSA-N NCCC1=CC(OS(=O)(O)=O)=C(O)C=C1 dopamine 3-O-sulfate 108936 HMDB0006275 C13690 122136 Neg daidzein sulfate (2) 100006363 209 48728 155111 Xenobiotics Food Component/Plant 5156 NAMED CQRHJEVIKOKQMO-UHFFFAOYSA-N OC1=CC2=C(C(C(C3=CC=C(OS(=O)(O)=O)C=C3)=CO2)=O)C=C1 daidzein sulfate (2) 12114465 Neg 3-hydroxyhexanoate 100006367 209 53230 179135 Lipid Fatty Acid, Monohydroxy 2002 NAMED HPMGFDVTYHWBAG-UHFFFAOYSA-N CCCC(O)CC(O)=O 3-hydroxyhexanoate 10191-24-9 133518 HMDB0061652,HMDB0010718 151492 Neg 3beta-hydroxy-5-cholestenoate 100006370 209 54805 207701 Lipid Sterol 3237 NAMED WVXOMPRLWLXFAP-AMQKJUDNSA-N C[C@@H]([C@H]1CC[C@@H]2[C@]1(C)CC[C@H]3[C@H]2CC=C4[C@]3(C)CC[C@H](O)C4)CCCC(C(O)=O)C 3beta-hydroxy-5-cholestenoate 6561-58-6 HMDB0012453 C17333 165511 Neg 1,2,3-benzenetriol sulfate (2) 100006374 209 48762 155125 Xenobiotics Chemical 6262 NAMED NGVLEQPKHLWZLN-UHFFFAOYSA-N OC1=C(O)C(OS(=O)(O)=O)=CC=C1 1,2,3-benzenetriol sulfate (2) HMDB0060018,HMDB0060016 92013662,54110629 Neg 3-methoxycatechol sulfate (1) 100006375 209 48763 155127 Xenobiotics Benzoate Metabolism 4576 NAMED NTXOJWKIHIOUQN-UHFFFAOYSA-N OC1=C(C=CC=C1OS(=O)(O)=O)OC 3-methoxycatechol sulfate (1) 129892430 Neg 3-methoxycatechol sulfate (2) 100006376 209 48752 155119 Xenobiotics Benzoate Metabolism 4577 NAMED NTXOJWKIHIOUQN-UHFFFAOYSA-N OC1=C(OC)C=CC=C1OS(=O)(O)=O 3-methoxycatechol sulfate (2) Neg N-acetylkynurenine (2) 100006378 209 48757 155121 Amino Acid Tryptophan Metabolism 276 NAMED PPIMFXHQDQRWGJ-JTQLQIEISA-N OC([C@@H](NC(C)=O)CC(C1=CC=CC=C1N)=O)=O N-acetylkynurenine (2) HMDB0240342 73817779 Neg C-glycosyltryptophan 100006379 209 48782 155139 Amino Acid Tryptophan Metabolism 267 NAMED CPXSBHKDEPPWIX-RAYCSJGISA-N N[C@H](C(O)=O)CC1=C([C@H]([C@H]([C@@H](O)[C@@H]2O)O)O[C@@H]2CO)NC3=CC=CC=C13 C-glycosyltryptophan 180509-18-6 9157171 HMDB0240296 10981970 Neg glycocholate sulfate 100006639 209 52967 166112 Lipid Primary Bile Acid Metabolism 3509 NAMED ZXUWKFXQTSOVDY-FTKNGHMZSA-N OS(OC1C[C@]2([H])[C@@](CC1)(C)[C@](C[C@H](O)[C@]3(C)[C@@H]([C@H](C)CCC(NCC(O)=O)=O)CC[C@]34[H])([H])[C@@]4([H])[C@H](O)C2)(=O)=O glycocholate sulfate Neg glycochenodeoxycholate 3-sulfate 100006641 209 52974 166124 Lipid Primary Bile Acid Metabolism 3506 NAMED DKXXSIJHWWVNMO-ISIKUUMTSA-N OS(OC1C[C@]2([H])C(CC1)(C)[C@@H]3[C@@]([C@@](CC4)([H])[C@@](CC3)(C)[C@H]4[C@H](C)CCC(NCC(O)=O)=O)([H])[C@H](O)C2)(=O)=O glycochenodeoxycholate 3-sulfate HMDB0002409,HMDB0002496,HMDB0002497 21116917,21125002,11954205 Neg glycodeoxycholate 3-sulfate 100006642 209 52975 166126 Lipid Secondary Bile Acid Metabolism 3573 NAMED QJZCNFGUZPMYAX-WWZCPACMSA-N OS(OC1CC[C@@]2(C)[C@@](CC[C@]3([H])[C@]2([H])C[C@H](O)[C@@]4(C)[C@]3(CC[C@@H]4[C@H](C)CCC(NCC(O)=O)=O)[H])([H])C1)(=O)=O glycodeoxycholate 3-sulfate 101602538 Neg taurodeoxycholic acid 3-sulfate 100006644 209 62889 220740 Lipid Secondary Bile Acid Metabolism 3523 NAMED UCVGCHGIKFWAGH-WQVRBXQRSA-N C[C@@]12[C@@](CCC3C2C[C@H](O)[C@@]4(C)C3CC[C@@H]4[C@@H](CCC(NCCS(O)(=O)=O)=O)C)([H])C[C@H](OS(O)(=O)=O)CC1 taurodeoxycholic acid 3-sulfate Neg trans-3,4-methyleneheptanoate 100006651 209 53026 166148 Xenobiotics Food Component/Plant 5187 NAMED VFMNSFWBDMRNLJ-UHFFFAOYSA-N OC(CC1C(CCC)C1)=O trans-3,4-methyleneheptanoate Neg phenol glucuronide 100006679 209 52747 166417 Amino Acid Tyrosine Metabolism 197 NAMED WVHAUDNUGBNUDZ-GOVZDWNOSA-N O[C@H]1[C@H](OC2=CC=CC=C2)O[C@H](C(O)=O)[C@@H](O)[C@@H]1O phenol glucuronide 17685-05-1 78692 HMDB0060014 87235 Neg linoleoyl ethanolamide 100006726 209 52608 166573 Lipid Endocannabinoid 2205 NAMED KQXDGUVSAAQARU-HZJYTTRNSA-N CCCCC/C=CC/C=CCCCCCCCC(NCCO)=O linoleoyl ethanolamide 68171-52-8 4446566 HMDB0012252 5283446 Neg 2-methylcitrate/homocitrate 100008929 209 52282 164310 Energy TCA Cycle 1479 NAMED YNOXCRMFGMSKIJ-UHFFFAOYSA-N CC(C(O)=O)C(C(O)=O)(O)CC(O)=O 2-methylcitrate/homocitrate HMDB0003518,HMDB0000379 C01251 439459,515 Neg oleate/vaccenate (18:1) 100008930 209 52285 164313 Lipid Long Chain Monounsaturated Fatty Acid 1556 NAMED ZQPPMHVWECSIRJ-KTKRTIGZSA-N OC(CCCCCCC/C=CCCCCCCCC)=O oleate/vaccenate (18:1) HMDB0003231,HMDB0000573,HMDB0240219,HMDB0000207 C21944,C08367,C01712,C00712 5282761,637517,5281127,445639 Neg indoxyl glucuronide 100008931 209 52749 166419 Amino Acid Tryptophan Metabolism 329 NAMED KUYNOZVWCFXSNE-BYNIDDHOSA-N O[C@H]([C@@H](O)[C@@H]1O)[C@@H](O[C@@H]1C(O)=O)OC2=CNC3=C2C=CC=C3 indoxyl glucuronide 35804-66-1 2015556 HMDB0010319 2733785 Neg 3-hydroxystearate 100008933 209 52938 166054 Lipid Fatty Acid, Monohydroxy 2012 NAMED POMQYTSPMKEQNB-UHFFFAOYSA-N OC(CC(O)CCCCCCCCCCCCCCC)=O 3-hydroxystearate 45261-96-9 4446034 HMDB10737 5282907 Neg 2-hydroxylaurate 100008934 209 52916 166016 Lipid Fatty Acid, Monohydroxy 1989 NAMED YDZIJQXINJLRLL-UHFFFAOYSA-N OC(C(O)CCCCCCCCCC)=O 2-hydroxylaurate 2984-55-6 88259 97783 Neg rivaroxaban 100008950 209 52958 166094 Xenobiotics Drug - Cardiovascular 5708 NAMED KGFYHTZWPPHNLQ-UHFFFAOYSA-N O=C1N(C2=CC=C(N3CC(CNC(C4=CC=C(Cl)S4)=O)OC3=O)C=C2)CCOC1 rivaroxaban 366789-02-8 4938307 9875401 Neg 1-palmitoleoylglycerol (16:1)* 100008952 209 52431 164555 Lipid Monoacylglycerol 2879 NAMED KVYUBFKSKZWZSV-BQYQJAHWSA-N CCCCCC/C=C/CCCCCCCC(OCC(O)CO)=O 1-palmitoleoylglycerol (16:1)* MG 16:1 MG 16:1 MG 16:1/0:0/0:0 HMDB0011565 Neg phenylacetylglutamate 100009045 209 52925 166034 Peptide Acetylated Peptides 1204 NAMED PTSRBZOZSRJCKX-JTQLQIEISA-N O=C(N[C@H](C(O)=O)CCC(O)=O)CC1=CC=CC=C1 phenylacetylglutamate 9754592 HMDB0059772 11579826 Neg 1-linoleoyl-GPA (18:2)* 100009082 209 52690 165460 Lipid Lysophospholipid 2610 NAMED ZQTAMPRZFOOEEP-KKFOGOCZSA-N O=C(CCCCCCC/C=CC/C=CCCCCC)OC[C@]([H])(COP(O)(O)=O)O 1-linoleoyl-GPA (18:2)* LPA 18:2 LPA 18:2 LPA 18:2/0:0 24766514 HMDB0007856 Neg 1-stearyl-GPE (O-18:0)* 100009198 209 61501 217717 Lipid Lysoplasmalogen 2857 NAMED JIJGULMDDZORPH-HSZRJFAPSA-N [H][C@](O)(COP(OCCN)(O)=O)COCCCCCCCCCCCCCCCCCC 1-stearyl-GPE (O-18:0)* LPE O-18:0 LPE O-18:0 LPE O-18:0/0:0 24823081 46891690 Neg 1-linoleoyl-GPG (18:2)* 100009227 209 54885 207774 Lipid Lysophospholipid 2738 NAMED VEEHTGYBVMTAAF-RFFZIGDUSA-N [H][C@@](CO)(O)COP(OC[C@]([H])(O)COC(CCCCCCC/C=CC/C=CCCCCC)=O)(O)=O 1-linoleoyl-GPG (18:2)* LPG 18:2 LPG 18:2 LPG 18:2/0:0 HMDB0240600 Neg prednisolone 100009252 209 54742 207599 Xenobiotics Drug - Antiinflammatory, Immunosuppressant 5634 NAMED OIGNJSKKLXVSLS-VWUMJDOOSA-N C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(C=C[C@]34C)=O)[C@@H]1CC[C@]2(O)C(CO)=O prednisolone 5552 HMDB0014998 D00472,C07369 5755 Neg mycophenolic acid 100009253 209 54800 207693 Xenobiotics Drug - Antiinflammatory, Immunosuppressant 5626 NAMED HPNSFSBZBAHARI-RUDMXATFSA-N Cc1c(OC)c(C/C=C(CCC(O)=O)C)c(O)c2c1COC2=O mycophenolic acid 24280-93-1 393865 HMDB0015159 C20380 446541 Neg mycophenolic acid glucuronide 100009254 209 54792 207685 Xenobiotics Drug - Antiinflammatory, Immunosuppressant 5627 NAMED BYFGTSAYQQIUCN-HGIHDBQLSA-N O[C@H]([C@@H](O)[C@@H]1O)[C@@H](O[C@@H]1C(O)=O)OC(C(C2=O)=C(CO2)C(C)=C3OC)=C3C/C=C(C)/CCC(O)=O mycophenolic acid glucuronide 4946725 HMDB0060634 6442661 Neg glycocholate glucuronide (1) 100009259 209 52977 166130 Lipid Primary Bile Acid Metabolism 3507 NAMED BWWWIHHYPYDOJQ-ICKMJTCPSA-N O[C@H]1CC2[C@]3(CC[C@H](CC3C[C@H](C2C4CCC([C@@]14C)[C@@H](CCC(NCC(O)=O)=O)C)O)OC5C(C(C(C(O5)C(O)=O)O)O)O)C glycocholate glucuronide (1) 44263357 Neg glycochenodeoxycholate glucuronide (1) 100009264 209 52983 166140 Lipid Primary Bile Acid Metabolism 3504 NAMED ABFZMYIIUREPLL-ASWJIRIHSA-N O[C@H]1[C@@]2([C@@]([H])([C@]3(CC[C@H](C[C@]3(C1)[H])O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)C(O)=O)O)O)O)C)CC[C@]5([C@]2(CC[C@@H]5[C@@H](CCC(NCC(O)=O)=O)C)[H])C)[H] glycochenodeoxycholate glucuronide (1) HMDB0002579 44263370 Neg 14-HDoHE/17-HDoHE 100009278 209 53034 166162 Lipid Docosanoid 2089 NAMED ZNEBXONKCYFJAF-BGKMTWLOSA-N OC(CC/C=CC/C=CC/C=CC=CC(C/C=CC/C=CCC)O)=O 14-HDoHE/17-HDoHE HMDB0060044,HMDB0010213 6439179,11566378 Neg sulfamethoxazole 100009327 209 53240 179147 Xenobiotics Drug - Antibiotic 5535 NAMED JLKIGFTWXXRPMT-UHFFFAOYSA-N O=S(NC1=NOC(C)=C1)(C(C=C2)=CC=C2N)=O sulfamethoxazole 5138 HMDB0015150 D00447 5329 Neg furaneol sulfate 100009328 209 54795 207689 Xenobiotics Food Component/Plant 5195 NAMED ZXQZXWJQZQBNQK-UHFFFAOYSA-N OS(OC1=C(C)OC(C)C1=O)(=O)=O furaneol sulfate 59815364 Neg lisinopril 100009389 209 54787 207675 Xenobiotics Drug - Cardiovascular 5746 NAMED RLAWWYSOJDYHDC-UHFFFAOYSA-N O=C(O)C(NC(CCCCN)C(N1C(C(O)=O)CCC1)=O)CCC2=CC=CC=C2 lisinopril 76547-98-3 3800 HMDB0001938 DG00336,D00362 5362119 Neg hexadecadienoate (16:2n6) 100009394 209 57652 212703 Lipid Long Chain Polyunsaturated Fatty Acid (n3 and n6) 1589 NAMED WPJGPAAPSBVXNU-HZJYTTRNSA-N CCCCC/C=CC/C=CCCCCCC(O)=O hexadecadienoate (16:2n6) 28290-73-5 13628094 HMDB0000477 13932172 Neg 4-acetamidobenzoate 100009413 209 57585 212142 Xenobiotics Chemical 6282 NAMED QCXJEYYXVJIFCE-UHFFFAOYSA-N CC(NC1=CC=C(C(O)=O)C=C1)=O 4-acetamidobenzoate 556-08-1 18177 D03836 6918889 Neg 4-hydroxyphenylacetylglutamine 100010850 209 55017 208352 Peptide Acetylated Peptides 1207 NAMED NNBITIFYUGRBJL-JTQLQIEISA-N O=C(N[C@@H](CCC(N)=O)C(O)=O)CC(C=C1)=CC=C1O 4-hydroxyphenylacetylglutamine Neg indolepropionylglycine 100010863 209 54917 208304 Amino Acid Tryptophan Metabolism 312 NAMED WPZHLFMFBBIAFZ-UHFFFAOYSA-N O=C(NCC(O)=O)CCC1=CNC2=C1C=CC=C2 indolepropionylglycine 5990843 129691959 Neg 2,3-dihydroxy-2-methylbutyrate 100010869 209 57547 212076 Amino Acid Leucine, Isoleucine and Valine Metabolism 435 NAMED AOWPAWLEXIYETE-UHFFFAOYSA-N OC(C)(C(O)=O)C(C)O 2,3-dihydroxy-2-methylbutyrate 14868-24-7 266858 HMDB0029576 301941 Neg 4-aminophenol sulfate (2) 100010871 209 54809 207709 Xenobiotics Drug - Analgesics, Anesthetics 5432 NAMED DJEGXIBXYHERSU-UHFFFAOYSA-N NC1=CC=C(OS(O)(=O)=O)C=C1 4-aminophenol sulfate (2) Neg 2'-O-methyluridine 100010896 209 57655 212709 Nucleotide Pyrimidine Metabolism, Uracil containing 4256 NAMED SXUXMRMBWZCMEN-ZOQUXTDFSA-N CO[C@@H]1[C@@H]([C@H](O[C@H]1N2C=CC(NC2=O)=O)CO)O 2'-O-methyluridine 2140-76-3 92343 HMDB0240328 102212 Neg naringenin 7-glucuronide 100010898 209 54924 208318 Xenobiotics Food Component/Plant 5008 NAMED BDCRTIDKZGEVEN-UHFFFAOYSA-N O=C1C2=C(O)C=C(OC3C(O)C(O)C(O)C(C(O)=O)O3)C=C2OC(C4=CC=C(O)C=C4)C1 naringenin 7-glucuronide Neg ferulylglycine (2) 100010913 209 54937 208342 Xenobiotics Food Component/Plant 4938 NAMED CLGNQAIRBLDHIN-HWKANZROSA-N OC1=CC=C(/C=C/C(NCC(O)=O)=O)C=C1OC ferulylglycine (2) Neg perfluorooctanesulfonate (PFOS) 100010955 209 57564 212104 Xenobiotics Chemical 6234 NAMED YFSUTJLHUFNCNZ-UHFFFAOYSA-N O=S(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)(O)=O perfluorooctanesulfonate (PFOS) 1763-23-1 67068 HMDB0059586 C18142 74483 Neg 1-palmityl-GPE (O-16:0)* 100010962 209 55007 208109 Lipid Lysoplasmalogen 2854 NAMED OKXWJISJKQKUTN-OAQYLSRUSA-N [H][C@](O)(COP(OCCN)(O)=O)COCCCCCCCCCCCCCCCC 1-palmityl-GPE (O-16:0)* LPE O-16:0 LPE O-16:0 LPE O-16:0/0:0 24823080 Neg 2-hydroxybehenate 100015637 209 57663 212725 Lipid Fatty Acid, Monohydroxy 1997 NAMED RPGJJWLCCOPDAZ-UHFFFAOYSA-N CCCCCCCCCCCCCCCCCCCCC(O)C(O)=O 2-hydroxybehenate 167899 HMDB0061660 193484 Neg 2-hydroxynervonate* 100015638 209 61698 217999 Lipid Fatty Acid, Monohydroxy 1999 NAMED UFOOFOUFKSIFCD-KTKRTIGZSA-N OC(C(O)=O)CCCCCCCCCCCC/C=CCCCCCCCC 2-hydroxynervonate* 4472208 5312783 Neg N-palmitoylserine 100015640 209 57659 212717 Lipid Endocannabinoid 2221 NAMED BFVRFWIQTACAPT-KRWDZBQOSA-N O=C(CCCCCCCCCCCCCCC)N([H])[C@H](C(O)=O)CO N-palmitoylserine 58725-46-5,474943-14-1 4956046 6453686 Neg N-oleoylserine 100015641 209 57664 212727 Lipid Endocannabinoid 2219 NAMED MBDKGXAMSZIDKF-KTKRTIGZSA-N CCCCCCCC/C=CCCCCCCCC(NC(C(O)=O)CO)=O N-oleoylserine 21466990 44190514 Neg hydroxystearate sulfate 100015656 209 57392 210940 Lipid Fatty Acid, Monohydroxy 2048 NAMED RGRPPOXMMMSPAK-UHFFFAOYSA-N OC(C(CCCCCCCCCCCCCCCC)OS(=O)(O)=O)=O hydroxystearate sulfate Neg docosatrienoate (22:3n6)* 100015762 209 57467 211123 Lipid Long Chain Polyunsaturated Fatty Acid (n3 and n6) 1597 NAMED RILVNGKQIULBOQ-YHTMAJSVSA-N CCCCC/C=C/C/C=C/C/C=C/CCCCCCCCC(O)=O docosatrienoate (22:3n6)* 75955220 Neg nisinate (24:6n3) 100015785 209 57810 213739 Lipid Long Chain Polyunsaturated Fatty Acid (n3 and n6) 1588 NAMED YHGJECVSSKXFCJ-KUBAVDMBSA-N OC(CCCC/C=CC/C=CC/C=CC/C=CC/C=CC/C=CCC)=O nisinate (24:6n3) 68378-49-4 9967286 HMDB0013025 11792612 Neg dexlansoprazole 100015794 209 57668 212733 Xenobiotics Drug - Gastrointestinal 5792 NAMED MJIHNNLFOKEZEW-RUZDIDTESA-N CC1=C(OCC(F)(F)F)C=CN=C1C[S@](C2=NC3=CC=CC=C3N2)=O dexlansoprazole 138530-94-6 7852369 D08903 9578005 Neg heneicosapentaenoate (21:5n3) 100015797 209 57658 212715 Lipid Long Chain Polyunsaturated Fatty Acid (n3 and n6) 1584 NAMED OQOCQFSPEWCSDO-JLNKQSITSA-N OC(CCCC/C=CC/C=CC/C=CC/C=CC/C=CCC)=O heneicosapentaenoate (21:5n3) 24257-10-1 10171040 11998573 Neg levetiracetam 100015873 209 57641 212681 Xenobiotics Drug - Neurological 5874 NAMED HPHUVLMMVZITSG-LURJTMIESA-N CC[C@H](N1CCCC1=O)C(N)=O levetiracetam 102767-28-2 4447633 HMDB0015333 C07841 5284583 Neg meropenem 100015875 209 57669 212735 Xenobiotics Drug - Antibiotic 5497 NAMED DMJNNHOOLUXYBV-PQTSNVLCSA-N C[C@@H]1[C@@H]2[C@@H]([C@H](O)C)C(N2C(C(O)=O)=C1S[C@H]3C[C@@H](C(N(C)C)=O)NC3)=O meropenem 96036-03-2 389924 HMDB0014898 D08185,DG00591,D02222 441130 Neg metronidazole 100015878 209 57642 212683 Xenobiotics Drug - Antibiotic 5548 NAMED VAOCPAMSLUNLGC-UHFFFAOYSA-N Cc1n(CCO)c([N+]([O-])=O)cn1 metronidazole 73334-05-1 4029 HMDB0015052 DG00006,C07203,D00409 4173 Neg cephalexin 100015899 209 57704 212781 Xenobiotics Drug - Antibiotic 5510 NAMED ZAIPMKNFIOOWCQ-UEKVPHQBSA-N CC1=C(C(O)=O)N2[C@H](SC1)[C@H](NC([C@H](N)c3ccccc3)=O)C2=O cephalexin 15686-71-2 25541 HMDB0014707 C06895 27447 Neg cortolone glucuronide (1) 100015971 209 57699 212775 Lipid Corticosteroids 3358 NAMED INMJYSGZRBTEOR-RXCXIKFNSA-N O[C@H]([C@]([C@]([C@]1([H])[C@@](CC2)([H])[C@@]3([H])[C@]([C@@]2([H])C[C@@H]4OC5C(O)C(O)C(O)C(C(O)=O)O5)(CC4)C)(CC3=O)C)(CC1)O)CO cortolone glucuronide (1) Neg fluconazole 100015972 209 57707 212491 Xenobiotics Drug - Antibiotic 5557 NAMED RFHAOTPXVQNOHP-UHFFFAOYSA-N Fc1ccc(C(Cn2ncnc2)(O)Cn3ncnc3)c(F)c1 fluconazole 86386-73-4 3248 HMDB0014342 C07002 3365 Neg THC carboxylic acid 100016048 209 61836 218439 Xenobiotics Drug - Psychoactive 5943 NAMED YOVRGSHRZRJTLZ-UHFFFAOYSA-N CCCCCc1cc(OC(C)(C)C2C3C=C(C(O)=O)CC2)c3c(O)c1 THC carboxylic acid 97019 107885 Neg THC carboxylic acid glucuronide 100016049 209 61848 218461 Xenobiotics Drug - Psychoactive 5944 NAMED UWXZAZRSQQLWKH-AREXMYMPSA-N O=C(O[C@H]1[C@H](O)[C@@H](O)[C@H](O)[C@@H](C(O)=O)O1)C2=C[C@H](C3=C4C=C(CCCCC)C=C3O)[C@@H](C(C)(O4)C)CC2 THC carboxylic acid glucuronide Neg morphine-3-glucuronide 100016052 209 61844 218453 Xenobiotics Drug - Analgesics, Anesthetics 5470 NAMED WAEXKFONHRHFBZ-ZXDZBKESSA-N CN1CC[C@@]23c4c5c(O[C@H]6[C@H](O)[C@@H](O)[C@H](O)[C@@H](C(O)=O)O6)ccc4C[C@@H]1[C@@H]2C=C[C@H](O)[C@@H]3O5 morphine-3-glucuronide 4588593 HMDB0041936 C16643 5484731 Neg 2-butenoylglycine 100016110 209 61785 218163 Lipid Fatty Acid Metabolism (Acyl Glycine) 1851 NAMED WWJXRJJBIVSSNF-NSCUHMNNSA-N OC(CN([H])C(/C=C/C)=O)=O 2-butenoylglycine 71428-89-2 4877902 6303498 Neg hydroxy-CMPF* 100019794 209 62277 219248 Lipid Fatty Acid, Dicarboxylate 1729 NAMED OZOJARPUDFLESM-UHFFFAOYSA-N CCC(O)C1=C(C)C(C(O)=O)=C(CCC(O)=O)O1 hydroxy-CMPF* Neg trans-2-hexenoylglycine 100019884 209 61798 218189 Lipid Fatty Acid Metabolism (Acyl Glycine) 1834 NAMED AAPHATPOQGNLOZ-SNAWJCMRSA-N CCC/C=C/C(NCC(O)=O)=O trans-2-hexenoylglycine 25033670 Neg 2-hydroxyarachidate* 100019892 209 61700 218003 Lipid Fatty Acid, Monohydroxy 1996 NAMED CPLYLXYEVLGWFJ-UHFFFAOYSA-N CCCCCCCCCCCCCCCCCCC(O)C(O)=O 2-hydroxyarachidate* 4395406 5225199 Neg 3-hydroxyoleate* 100019966 209 61843 218451 Lipid Fatty Acid, Monohydroxy 2013 NAMED MFBDGGFIQVOLTJ-MDZDMXLPSA-N CCCCCCCC/C=C/CCCCCC(O)CC(O)=O 3-hydroxyoleate* Neg heptadecanedioate (C17-DC) 100019969 209 62869 220659 Lipid Fatty Acid, Dicarboxylate 1720 NAMED QCNWZROVPSVEJA-UHFFFAOYSA-N OC(CCCCCCCCCCCCCCCC(O)=O)=O heptadecanedioate (C17-DC) 2424-90-0 2340922 3083765 Neg dodecenedioate (C12:1-DC)* 100019972 209 61864 218581 Lipid Fatty Acid, Dicarboxylate 1711 NAMED OHCMUMNQAHNIEP-HNQUOIGGSA-N OC(CCC/C=C/CCCCCC(O)=O)=O dodecenedioate (C12:1-DC)* HMDB0000933 5283028 Neg hexadecenedioate (C16:1-DC)* 100019975 209 61862 218579 Lipid Fatty Acid, Dicarboxylate 1719 NAMED IWTMSCUHCJHPPR-ACCUITESSA-N O=C(O)CCCCCCCCCCCC/C=C/C(O)=O hexadecenedioate (C16:1-DC)* Neg octadecenedioate (C18:1-DC) 100019978 209 61861 218578 Lipid Fatty Acid, Dicarboxylate 1722 NAMED YDPSQMGOAILWPE-FYWRMAATSA-N O=C(O)CCCCCCCCCCCCCC/C=C/C(O)=O octadecenedioate (C18:1-DC) 9543674 Neg octadecadienedioate (C18:2-DC)* 100019982 209 61860 218580 Lipid Fatty Acid, Dicarboxylate 1723 NAMED ZKQNWTGXRAIVGG-PXELCPQFSA-N O=C(O)CCCCCCCCCCCC/C=C/C=C/C(O)=O octadecadienedioate (C18:2-DC)* Neg glucuronide of C12H22O4 (1)* 100019984 209 61874 218624 Partially Characterized Molecules Partially Characterized Molecules 6433 NAMED glucuronide of C12H22O4 (1)* Neg glucuronide of C14H26O4 (1)* 100019986 209 61876 218626 Partially Characterized Molecules Partially Characterized Molecules 6438 NAMED glucuronide of C14H26O4 (1)* Neg glucuronide of C19H28O4 (1)* 100019987 209 61879 218629 Partially Characterized Molecules Partially Characterized Molecules 6441 NAMED glucuronide of C19H28O4 (1)* Neg glucuronide of C10H18O2 (1)* 100019990 209 61881 218632 Partially Characterized Molecules Partially Characterized Molecules 6415 NAMED glucuronide of C10H18O2 (1)* Neg 3-carboxy-4-methyl-5-pentyl-2-furanpropionate (3-CMPFP)** 100020004 209 61871 218621 Lipid Fatty Acid, Dicarboxylate 1730 NAMED RIJDKRLRDVBUHJ-UHFFFAOYSA-N OC(C1=C(CCC(O)=O)OC(CCCCC)=C1C)=O 3-carboxy-4-methyl-5-pentyl-2-furanpropionate (3-CMPFP)** 168762 HMDB0061643 194501 Neg methylnaphthyl sulfate (2)* 100020006 209 61873 218623 Xenobiotics Chemical 6217 NAMED SBYDEYGHJXSIDV-UHFFFAOYSA-N CC1=C(OS(=O)(O)=O)C=CC2=CC=CC=C21 methylnaphthyl sulfate (2)* Neg glucuronide of C10H18O2 (5)* 100020012 209 61885 218636 Partially Characterized Molecules Partially Characterized Molecules 6419 NAMED glucuronide of C10H18O2 (5)* Neg glucuronide of C10H18O2 (6)* 100020013 209 61886 218637 Partially Characterized Molecules Partially Characterized Molecules 6420 NAMED glucuronide of C10H18O2 (6)* Neg glucuronide of C10H18O2 (7)* 100020014 209 61887 218638 Partially Characterized Molecules Partially Characterized Molecules 6421 NAMED glucuronide of C10H18O2 (7)* Neg glucuronide of C10H18O2 (8)* 100020015 209 61888 218639 Partially Characterized Molecules Partially Characterized Molecules 6422 NAMED glucuronide of C10H18O2 (8)* Neg glucuronide of C10H14O2 (7)* 100020025 209 61899 218662 Partially Characterized Molecules Partially Characterized Molecules 6414 NAMED glucuronide of C10H14O2 (7)* Neg glucuronide of C8H14O2 (3)* 100020029 209 61905 218668 Partially Characterized Molecules Partially Characterized Molecules 6398 NAMED glucuronide of C8H14O2 (3)* Neg N-acetyl-2-aminooctanoate* 100020204 209 62059 218862 Lipid Fatty Acid, Amino 1779 NAMED JJGNMSOJTSABGA-UHFFFAOYSA-N OC(C(CCCCCC)N([H])C(C)=O)=O N-acetyl-2-aminooctanoate* 86248 HMDB0059745 95555 Neg daidzein 7-O-glucuronide 100020206 209 62070 218879 Xenobiotics Food Component/Plant 4907 NAMED MMIBOZXVZLENRZ-ZFORQUDYSA-N O=C1c2c(OC=C1c3ccc(O)cc3)cc(O[C@@H]4O[C@@H]([C@H]([C@@H]([C@H]4O)O)O)C(O)=O)cc2 daidzein 7-O-glucuronide 9491321 HMDB41718 11316354 Neg genistein sulfate* 100020207 209 62061 218865 Xenobiotics Food Component/Plant 4909 NAMED DKEIWIJUHWVGRC-UHFFFAOYSA-N O=C1C(C(O)=C2)=C(C=C2OS(=O)(O)=O)OC=C1C(C=C3)=CC=C3O genistein sulfate* Neg perfluorooctanoate (PFOA) 100020208 209 62071 218880 Xenobiotics Chemical 6285 NAMED SNGREZUHAYWORS-UHFFFAOYSA-N OC(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)=O perfluorooctanoate (PFOA) 9180 HMDB0059587 9554 Neg glyco-beta-muricholate** 100020214 209 62066 218872 Lipid Primary Bile Acid Metabolism 3501 NAMED ZQYUKJFJPJDMMR-PRRFOZOMSA-N CC(C1CCC2C3[C@H]([C@H]([C@@]4(C[C@@H](CC[C@@]4(C3CC[C@]12C)C)O)[H])O)O)CCC(NCC(O)=O)=O glyco-beta-muricholate** Neg pyroglutamylalanine* 100020227 209 62087 218912 Peptide Modified Peptides 1220 NAMED YIJVJUARZXCJJP-WHFBIAKZSA-N O=C([C@H](CC1)N([H])C1=O)N([H])[C@H](C(O)=O)C pyroglutamylalanine* 140586 159907 Neg N4-acetylsulfamethoxazole* 100020243 209 62106 218952 Xenobiotics Drug - Antibiotic 5536 NAMED GXPIUNZCALHVBA-UHFFFAOYSA-N O=S(C1=CC=C(C=C1)NC(C)=O)(NC2=NOC(C)=C2)=O N4-acetylsulfamethoxazole* 58771 HMDB0013854 D01601,C13061 65280 Neg N4-acetyl-5-hydroxysulfamethoxazole* 100020244 209 62107 218953 Xenobiotics Drug - Antibiotic 5537 NAMED YKWZTWOYFWCVKH-UHFFFAOYSA-N O=S(C1=CC=C(NC(C)=O)C=C1)(NC2=NOC(CO)=C2)=O N4-acetyl-5-hydroxysulfamethoxazole* Neg resveratrol disulfate (1)* 100020247 209 62110 218957 Xenobiotics Food Component/Plant 5229 NAMED DHYDAGFKCXRMSL-OWOJBTEDSA-N OC1=CC(OS(=O)(O)=O)=CC(/C=C/C2=CC=C(OS(=O)(O)=O)C=C2)=C1 resveratrol disulfate (1)* Neg glycine conjugate of C10H12O2* 100020253 209 62145 219037 Partially Characterized Molecules Partially Characterized Molecules 6461 NAMED glycine conjugate of C10H12O2* Neg glycine conjugate of C10H14O2 (1)* 100020254 209 62146 219038 Partially Characterized Molecules Partially Characterized Molecules 6462 NAMED glycine conjugate of C10H14O2 (1)* Neg glutamine conjugate of C7H12O2* 100020259 209 63658 223041 Partially Characterized Molecules Partially Characterized Molecules 6445 NAMED glutamine conjugate of C7H12O2* Neg glutamine conjugate of C6H10O2 (1)* 100020261 209 63657 223045 Partially Characterized Molecules Partially Characterized Molecules 6443 NAMED glutamine conjugate of C6H10O2 (1)* Neg glutamine conjugate of C6H10O2 (2)* 100020262 209 63660 223046 Partially Characterized Molecules Partially Characterized Molecules 6444 NAMED glutamine conjugate of C6H10O2 (2)* Neg glutamine conjugate of C8H12O4 (1)* 100020265 209 62140 219032 Partially Characterized Molecules Partially Characterized Molecules 6449 NAMED glutamine conjugate of C8H12O4 (1)* Neg dihydroferulic acid sulfate 100020272 209 62857 220633 Xenobiotics Food Component/Plant 4915 NAMED UMCDODPBPQMWQP-UHFFFAOYSA-N COC1=C(OS(=O)(O)=O)C=CC(CCC(O)=O)=C1 dihydroferulic acid sulfate 162994 HMDB0041724 187489 Neg valproic acid glucuronide 100020273 209 62883 220730 Xenobiotics Drug - Neurological 5859 NAMED XXKSYIHWRBBHIC-JVWRJRKNSA-N CCCC(C(O[C@H]1[C@H](O)[C@@H](O)[C@H](O)[C@@H](C(O)=O)O1)=O)CCC valproic acid glucuronide 79488 HMDB0000901 88111 Neg fibrinopeptide A (5-16)* 100020274 209 62148 219040 Peptide Fibrinogen Cleavage Peptide 1180 NAMED NFUNGJWOQYYPEX-UHFFFAOYSA-N NC(CCC(O)=O)C(NCC(NC(CC(O)=O)C(NC(CC1=CC=CC=C1)C(NC(CC(C)C)C(NC(C)C(NC(CCC(O)=O)C(NCC(NCC(NCC(NC(C(C)C)C(NC(CCCNC(N)=N)C(O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O fibrinopeptide A (5-16)* Neg tetradecadienoate (14:2)* 100020343 209 62850 220619 Lipid Long Chain Polyunsaturated Fatty Acid (n3 and n6) 1573 NAMED HXHZGHRLVRFQDR-HZJYTTRNSA-N OC(CCC/C=CC/C=CCCCCC)=O tetradecadienoate (14:2)* 39039-37-7 4471834 HMDB0000560 5312409 Neg N-carbamoylvaline 100020351 209 62852 220621 Amino Acid Leucine, Isoleucine and Valine Metabolism 425 NAMED JDXMIYHOSFNZKO-UHFFFAOYSA-N OC(C(C(C)C)NC(N)=O)=O N-carbamoylvaline 26081-00-5 4324497 448879 Neg 8-methoxykynurenate 100020360 209 62955 220839 Amino Acid Tryptophan Metabolism 285 NAMED BXZSKDOPGDPDEG-UHFFFAOYSA-N OC1=CC(C(O)=O)=NC(C1=CC=C2)=C2OC 8-methoxykynurenate 2929-14-8 68710 HMDB0060426 C05830 76230 Neg 3-indoleglyoxylic acid 100020372 209 63583 222852 Xenobiotics Food Component/Plant 5250 NAMED DWLVFWDCSFTDOD-UHFFFAOYSA-N OC(C(C1=CNC2=C1C=CC=C2)=O)=O 3-indoleglyoxylic acid 1477-49-2 66497 73863 Neg 2,2'-methylenebis(6-tert-butyl-p-cresol) 100020373 209 62885 220736 Xenobiotics Chemical 6290 NAMED KGRVJHAUYBGFFP-UHFFFAOYSA-N CC1=CC(C(C)(C)C)=C(C(CC2=C(C(C(C)(C)C)=CC(C)=C2)O)=C1)O 2,2'-methylenebis(6-tert-butyl-p-cresol) 119-47-1 8092 8398 Neg ethyl beta-glucopyranoside 100020377 209 64131 233912 Xenobiotics Food Component/Plant 5260 NAMED WYUFTYLVLQZQNH-JAJWTYFOSA-N O[C@H]([C@H]1O)[C@@H]([C@@H](CO)O[C@H]1OCC)O ethyl beta-glucopyranoside 108559 HMDB0029968 121667 Neg 2-hydroxysebacate 100020378 209 63357 222415 Lipid Fatty Acid, Dicarboxylate 1732 NAMED LPIOYESQKJFWPQ-UHFFFAOYSA-N OC(C(O)=O)CCCCCCCC(O)=O 2-hydroxysebacate 103963-71-9 113866 HMDB0000424 128458 Neg 3-hydroxyhippurate sulfate 100020410 209 62530 219863 Xenobiotics Benzoate Metabolism 4503 NAMED SBLCKJXUMHOIBU-UHFFFAOYSA-N O=C(NCC(O)=O)C1=CC(OS(=O)(O)=O)=CC=C1 3-hydroxyhippurate sulfate 161984 186339 Neg 6-bromotryptophan 100020414 209 62503 219798 Amino Acid Tryptophan Metabolism 333 NAMED OAORYCZPERQARS-UHFFFAOYSA-N Brc1ccc2c(CC(N)C(O)=O)c[nH]c2c1 6-bromotryptophan 9856996 Neg delta-CEHC 100020416 209 62287 219260 Cofactors and Vitamins Tocopherol Metabolism 4410 NAMED BNVXCCQXUZCRSR-UHFFFAOYSA-N OC1=CC2=C(C(C)=C1)OC(CCC(O)=O)(C)CC2 delta-CEHC 84599-16-6 9710906 35027084 Neg dodecadienoate (12:2)* 100020478 209 62276 219247 Lipid Fatty Acid, Dicarboxylate 1712 NAMED QHRHXXRXWDTFLI-HZJYTTRNSA-N CCCCC/C=CC/C=CCC(O)=O dodecadienoate (12:2)* 25480 Neg gamma-CEHC sulfate 100020480 209 62280 219253 Cofactors and Vitamins Tocopherol Metabolism 4413 NAMED XJAVOQFBEMHLBM-UHFFFAOYSA-N O=S(OC1=C(C)C(C)=C2C(CCC(C)(CCC(O)=O)O2)=C1)(O)=O gamma-CEHC sulfate Neg delta-CEHC glucuronide 100020483 209 62286 219259 Cofactors and Vitamins Tocopherol Metabolism 4411 NAMED UCCZSQROJUPRKT-UHFFFAOYSA-N OC1C(OC2=CC(C)=C3C(CCC(C)(CCC(O)=O)O3)=C2)OC(C(O)=O)C(O)C1O delta-CEHC glucuronide Neg glucuronide of piperine metabolite C17H21NO3 (3)* 100020491 209 62290 219263 Xenobiotics Food Component/Plant 5044 NAMED glucuronide of piperine metabolite C17H21NO3 (3)* Neg glucuronide of piperine metabolite C17H21NO3 (4)* 100020492 209 62291 219264 Xenobiotics Food Component/Plant 5045 NAMED glucuronide of piperine metabolite C17H21NO3 (4)* Neg glucuronide of piperine metabolite C17H21NO3 (5)* 100020493 209 62292 219265 Xenobiotics Food Component/Plant 5046 NAMED glucuronide of piperine metabolite C17H21NO3 (5)* Neg sulfate of piperine metabolite C16H19NO3 (2)* 100020496 209 62295 219274 Xenobiotics Food Component/Plant 5053 NAMED sulfate of piperine metabolite C16H19NO3 (2)* Neg sulfate of piperine metabolite C16H19NO3 (3)* 100020497 209 62296 219275 Xenobiotics Food Component/Plant 5054 NAMED sulfate of piperine metabolite C16H19NO3 (3)* Neg sulfate of piperine metabolite C18H21NO3 (1)* 100020502 209 62297 219276 Xenobiotics Food Component/Plant 5059 NAMED sulfate of piperine metabolite C18H21NO3 (1)* Neg sulfate of piperine metabolite C18H21NO3 (3)* 100020504 209 62299 219278 Xenobiotics Food Component/Plant 5061 NAMED sulfate of piperine metabolite C18H21NO3 (3)* Neg 5-hydroxyindole glucuronide 100020511 209 63253 222128 Amino Acid Tryptophan Metabolism 330 NAMED XVOLHSHNRIWYEW-UHFFFAOYSA-N OC(C1OC(OC2=CC=C3C(C=CN3)=C2)C(O)C(O)C1O)=O 5-hydroxyindole glucuronide Neg 2-naphthol sulfate 100020515 209 62520 219835 Xenobiotics Chemical 6219 NAMED HXEZIDSFDHEIIQ-UHFFFAOYSA-N O=S(OC1=CC=C(C=CC=C2)C2=C1)(O)=O 2-naphthol sulfate 67020 74428 Neg (2,4 or 2,5)-dimethylphenol sulfate 100020519 209 62533 219867 Xenobiotics Food Component/Plant 5238 NAMED CLCCTVXAPVYLKM-UHFFFAOYSA-N CC1=CC=C(C)C(OS(=O)(O)=O)=C1 (2,4 or 2,5)-dimethylphenol sulfate Neg 4-ethylcatechol sulfate 100020536 209 63072 221702 Xenobiotics Benzoate Metabolism 4539 NAMED KHZCNGJFSKSSIJ-UHFFFAOYSA-N OC1=CC=C(CC)C=C1OS(=O)(O)=O 4-ethylcatechol sulfate Neg 11beta-hydroxyandrosterone glucuronide 100020541 209 63251 222126 Lipid Androgenic Steroids 3433 NAMED BRPLOVMHAFXVOQ-HXVIYJDASA-N C[C@]12CC[C@@H](OC3C(O)C(O)C(O)C(C(O)=O)O3)C[C@]1([H])CC[C@]4([H])[C@]2([H])[C@@H](O)C[C@@]5(C)[C@@]4([H])CCC5=O 11beta-hydroxyandrosterone glucuronide HMDB0010351 Neg 11beta-hydroxyetiocholanolone glucuronide* 100020542 209 64418 237607 Lipid Androgenic Steroids 3389 NAMED BRPLOVMHAFXVOQ-KXVRARTKSA-N O[C@@H]1[C@@]2([H])[C@](CCC3[C@]2(C)CC[C@H](O[C@@H]4O[C@H](C(O)=O)[C@@H](O)[C@H](O)[C@H]4O)C3)([H])[C@@]5([H])[C@](C(CC5)=O)(C)C1 11beta-hydroxyetiocholanolone glucuronide* 17181-15-6 Neg 21-hydroxypregnanolone monosulfate (1) 100020547 209 62311 219291 Lipid Pregnenolone Steroids 3286 NAMED NAZGRBPLFCORNW-VTBMCCKRSA-N C[C@]12CC[C@H](OS(=O)(O)=O)C[C@]1([H])CC[C@]3([H])[C@]2([H])CC[C@@]4(C)[C@@]3([H])CC[C@]4([H])C(CO)=O 21-hydroxypregnanolone monosulfate (1) Neg 21-hydroxypregnanolone monosulfate (2) 100020548 209 62312 219292 Lipid Pregnenolone Steroids 3287 NAMED NAZGRBPLFCORNW-VTBMCCKRSA-N C[C@]12CC[C@H](OS(=O)(O)=O)C[C@]1([H])CC[C@]3([H])[C@]2([H])CC[C@@]4(C)[C@@]3([H])CC[C@]4([H])C(CO)=O 21-hydroxypregnanolone monosulfate (2) Neg cholic acid glucuronide 100020549 209 62571 219957 Lipid Primary Bile Acid Metabolism 3503 NAMED RBLDVEUUCHVWMW-LFKDYQRZSA-N O[C@H]1[C@@]2([H])[C@]3([H])CC[C@H]([C@H](C)CCC(O)=O)[C@@]3(C)[C@@H](O)C[C@]2([H])[C@@]4(C)CC[C@@H](OC5C(O)C(O)C(O)C(C(O)=O)O5)CC4C1 cholic acid glucuronide HMDB0002577 21252309 Neg deoxycholic acid glucuronide 100020550 209 63610 222934 Lipid Secondary Bile Acid Metabolism 3517 NAMED NNEIBJNHWVDJBA-WOSXBVGSSA-N O[C@H]1C[C@]2([H])[C@@]3(C)CC[C@@H](OC4C(O)C(O)C(O)C(C(O)=O)O4)CC3CC[C@@]2([H])[C@]5([H])CC[C@H]([C@H](C)CCC(O)=O)[C@@]15C deoxycholic acid glucuronide Neg 4-allylcatechol sulfate 100020578 209 63597 222898 Xenobiotics Benzoate Metabolism 4541 NAMED USWXDXYEVISELK-UHFFFAOYSA-N OS(OC1=CC=C(CC=C)C=C1O)(=O)=O 4-allylcatechol sulfate Neg triclosan sulfate 100020610 209 62732 220255 Xenobiotics Drug - Antibiotic 5544 NAMED ZPFYUMPBKRRSTR-UHFFFAOYSA-N ClC1=CC(Cl)=CC=C1OC2=C(OS(O)(=O)=O)C=C(Cl)C=C2 triclosan sulfate 30778644 HMDB0061387 67606152 Neg methyl vanillate sulfate 100020622 209 63857 223472 Xenobiotics Food Component/Plant 5252 NAMED IWRNHPTWPBSQSA-UHFFFAOYSA-N OS(OC1=CC=C(C(OC)=O)C=C1OC)(=O)=O methyl vanillate sulfate Neg 4-methylhexanoylglutamine 100020631 209 62735 220261 Lipid Fatty Acid Metabolism (Acyl Glutamine) 1807 NAMED VCZLDSLBUPQMCV-UHFFFAOYSA-N CCC(C)CCC(NC(CCC(N)=O)C(O)=O)=O 4-methylhexanoylglutamine Neg pravastatin 100020676 209 64104 235213 Xenobiotics Drug - Metabolic 5828 NAMED TUZYXOIXSAXUGO-PZAWKZKUSA-N O[C@H]1C[C@H](OC([C@@H](C)CC)=O)[C@@]2([H])C(C=C[C@H](C)[C@@H]2CC[C@H](C[C@H](CC(O)=O)O)O)=C1 pravastatin 49398 HMDB0005022 DG00353,C01844,D08410 54687 Neg benazeprilat 100020684 209 64098 235201 Xenobiotics Drug - Cardiovascular 5743 NAMED MADRIHWFJGRSBP-ROUUACIJSA-N OC([C@H](CCC1=CC=CC=C1)N[C@H]2CCC(C=CC=C3)=C3N(CC(O)=O)C2=O)=O benazeprilat 4576478 HMDB0060582 D03077 5463984 Neg sulfociprofloxacin* 100020787 209 62474 219736 Xenobiotics Drug - Antibiotic 5528 NAMED SDLYZOYQWKDWJG-UHFFFAOYSA-N FC1=C(C=C(C2=C1)N(C=C(C(O)=O)C2=O)C3CC3)N(CC4)CCN4S(O)(=O)=O sulfociprofloxacin* 114121 128781 Neg 4-hydroxy duloxetine glucuronide* 100020796 209 62480 219746 Xenobiotics Drug - Psychoactive 5923 NAMED OBIZFSZXDHWUJZ-ANUWOGMRSA-N O=C(O)[C@H]1O[C@H]([C@H](O)[C@@H](O)[C@@H]1O)OC2=CC=C(C3=CC=CC=C23)O[C@](CCNC)([H])C4=CC=CS4 4-hydroxy duloxetine glucuronide* 28516882 HMDB0060763 29981512 Neg 5-hydroxy-6-methoxy duloxetine sulfate* 100020798 209 62481 219747 Xenobiotics Drug - Psychoactive 5924 NAMED XYZBSFYKOKLCKI-INIZCTEOSA-N CNCC[C@@H](C1=CC=CS1)OC2=CC=CC3=C(C(OC)=CC=C23)OS(=O)(O)=O 5-hydroxy-6-methoxy duloxetine sulfate* 25061067 Neg 10-hydroxywarfarin 100020811 209 62970 221490 Xenobiotics Drug - Cardiovascular 5707 NAMED BPZSPAZBZFZZBN-UHFFFAOYSA-N O=C1OC(C=CC=C2)=C2C(O)=C1C(C3=CC=CC=C3)C(O)C(C)=O 10-hydroxywarfarin 19983904 HMDB0013884 54692492 Neg 7-hydroxywarfarin 100020813 209 62972 221494 Xenobiotics Drug - Cardiovascular 5706 NAMED SKFYEJMLNMTTJA-UHFFFAOYSA-N O=C1OC(C=C(O)C=C2)=C2C(O)=C1C(C3=CC=CC=C3)CC(C)=O 7-hydroxywarfarin 20129467 HMDB0013886 54682507,54732122 Neg glycoursodeoxycholic acid sulfate (1) 100020819 209 63731 223256 Lipid Secondary Bile Acid Metabolism 3550 NAMED DKXXSIJHWWVNMO-XROMFQGDSA-N [H][C@@]12[C@@]3(C)CC[C@@H](OS(=O)(O)=O)C[C@@]3([H])C[C@H](O)[C@@]1([H])[C@]4([H])CC[C@]([H])([C@H](C)CCC(NCC(O)=O)=O)[C@@]4(C)CC2 glycoursodeoxycholic acid sulfate (1) Neg glycoursodeoxycholic acid sulfate (2) 100020820 209 63732 223258 Lipid Secondary Bile Acid Metabolism 3582 NAMED DKXXSIJHWWVNMO-XROMFQGDSA-N [H][C@@]12[C@@]3(C)CC[C@@H](OS(=O)(O)=O)C[C@@]3([H])C[C@H](O)[C@@]1([H])[C@]4([H])CC[C@]([H])([C@H](C)CCC(NCC(O)=O)=O)[C@@]4(C)CC2 glycoursodeoxycholic acid sulfate (2) Neg lithocholate sulfate (1) 100020823 209 62526 219859 Lipid Secondary Bile Acid Metabolism 3530 NAMED AXDXVEYHEODSPN-HVATVPOCSA-N [H][C@@]12[C@@]3(C)CC[C@@H](OS(=O)(O)=O)C[C@@]3([H])CC[C@@]1([H])[C@]4([H])CC[C@]([H])([C@H](C)CCC(O)=O)[C@@]4(C)CC2 lithocholate sulfate (1) 451489 Neg lithocholic acid sulfate (2) 100020824 209 62527 219860 Lipid Secondary Bile Acid Metabolism 3531 NAMED AXDXVEYHEODSPN-HVATVPOCSA-N [H][C@@]12[C@@]3(C)CC[C@@H](OS(=O)(O)=O)C[C@@]3([H])CC[C@@]1([H])[C@]4([H])CC[C@]([H])([C@H](C)CCC(O)=O)[C@@]4(C)CC2 lithocholic acid sulfate (2) Neg 3-(methylthio)acetaminophen sulfate* 100020827 209 62567 219930 Xenobiotics Drug - Analgesics, Anesthetics 5429 NAMED VOXWKXZBPMQUJH-UHFFFAOYSA-N CSC1=CC(NC(C)=O)=CC=C1OS(O)(=O)=O 3-(methylthio)acetaminophen sulfate* Neg 2-ketocaprylate 100020833 209 63120 221782 Amino Acid Leucine, Isoleucine and Valine Metabolism 354 NAMED GPPUPQFYDYLTIY-UHFFFAOYSA-N CCCCCCC(C(O)=O)=O 2-ketocaprylate 328-51-8 60921 HMDB0013211 67600 Neg 2,6-dihydroxybenzoic acid 100020837 209 63042 221621 Xenobiotics Drug - Topical Agents 6004 NAMED AKEUNCKRJATALU-UHFFFAOYSA-N OC(C1=C(O)C=CC=C1O)=O 2,6-dihydroxybenzoic acid 303-07-1 8974 HMDB0013676 9338 Neg tauroursodeoxycholic acid sulfate (1) 100020844 209 62784 220399 Lipid Secondary Bile Acid Metabolism 3552 NAMED GLVWZDCWCRWVFM-LBSADWJPSA-N [H][C@@]12[C@@]3(C)CC[C@@H](OS(=O)(O)=O)C[C@@]3([H])C[C@H](O)[C@@]1([H])[C@]4([H])CC[C@]([H])([C@H](C)CCC(NCCS(=O)(O)=O)=O)[C@@]4(C)CC2 tauroursodeoxycholic acid sulfate (1) Neg 3-ethylcatechol sulfate (1) 100020851 209 62796 220411 Xenobiotics Food Component/Plant 4932 NAMED NUPWKYZXNXCOHY-UHFFFAOYSA-N CCC1=C(OS(=O)(O)=O)C(O)=CC=C1 3-ethylcatechol sulfate (1) Neg 3-ethylcatechol sulfate (2) 100020852 209 62797 220412 Xenobiotics Food Component/Plant 4933 NAMED NUPWKYZXNXCOHY-UHFFFAOYSA-N CCC1=C(OS(=O)(O)=O)C(O)=CC=C1 3-ethylcatechol sulfate (2) Neg 4-acetylcatechol sulfate (1) 100020853 209 62798 220413 Xenobiotics Food Component/Plant 4847 NAMED RRWBOGSYNDIRNR-UHFFFAOYSA-N OC1=CC=C(C(C)=O)C=C1OS(=O)(O)=O 4-acetylcatechol sulfate (1) Neg 4-acetylcatechol sulfate (2) 100020854 209 62799 220414 Xenobiotics Food Component/Plant 4848 NAMED RRWBOGSYNDIRNR-UHFFFAOYSA-N OC1=CC=C(C(C)=O)C=C1OS(=O)(O)=O 4-acetylcatechol sulfate (2) Neg 12-ketolithocholate 100020859 209 63118 221780 Lipid Secondary Bile Acid Metabolism 3529 NAMED CVNYHSDFZXHMMJ-VPUMZWJWSA-N O=C1[C@@]([C@]([C@H](C)CCC(O)=O)([H])CC2)(C)[C@]2([H])[C@@]3([H])[C@@](C1)([H])[C@](CC[C@H]4O)(C)[C@](C4)([H])CC3 12-ketolithocholate 5130-29-0 2338365 HMDB0000328 3080612 Neg trimethoprim 100020868 209 64075 235157 Xenobiotics Drug - Antibiotic 5572 NAMED IEDVJHCEMCRBQM-UHFFFAOYSA-N COc1c(OC)c(OC)cc(Cc2c(N)nc(N)nc2)c1 trimethoprim 738-70-5 5376 HMDB0014583 C01965,D00145 5578 Neg glipizide 100020884 209 64107 235219 Xenobiotics Drug - Metabolic 5801 NAMED ZJJXGWJIGJFDTL-UHFFFAOYSA-N Cc1ncc(C(NCCc2ccc(S(=O)(NC(NC3CCCCC3)=O)=O)cc2)=O)nc1 glipizide 29094-61-9 3359 HMDB0015200 D00335 3478 Neg 2,3-dihydroxy-5-methylthio-4-pentenoate (DMTPA)* 100020893 209 62805 220431 Amino Acid Methionine, Cysteine, SAM and Taurine Metabolism 455 NAMED XMZBEAXQGSBWLG-NSCUHMNNSA-N OC(C(O)=O)C(O)/C=C/SC 2,3-dihydroxy-5-methylthio-4-pentenoate (DMTPA)* HMDB0240388 Neg fibrinopeptide A (3-16)** 100020903 209 62811 220439 Peptide Fibrinogen Cleavage Peptide 1179 NAMED RTIAWGDTSQOGQP-UHFFFAOYSA-N NC(CO)C(NCC(NC(CCC(O)=O)C(NCC(NC(CC(O)=O)C(NC(CC1=CC=CC=C1)C(NC(CC(C)C)C(NC(C)C(NC(CCC(O)=O)C(NCC(NCC(NCC(NC(C(C)C)C(NC(CCCNC(N)=N)C(O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O fibrinopeptide A (3-16)** 25078015 Neg meloxicam 100020907 209 64093 235191 Xenobiotics Drug - Analgesics, Anesthetics 5460 NAMED ZRVUJXDFFKFLMG-UHFFFAOYSA-N Cc1sc(NC(C2=C(O)c3c(S(=O)(N2C)=O)cccc3)=O)nc1 meloxicam 71125-38-7 10442740 HMDB0014952 D00969,C08169 54677470 Neg fibrinopeptide B (1-13)** 100020908 209 62813 220443 Peptide Fibrinogen Cleavage Peptide 1198 NAMED CCYANGYMJWBLQM-UHFFFAOYSA-N OC(C(C)NC(C(CO)NC(C(CC1=CC=CC=C1)NC(C(CC2=CC=CC=C2)NC(CNC(C(CCC(O)=O)NC(C(CCC(O)=O)NC(C(CC(N)=O)NC(C(CC(O)=O)NC(C(CC(N)=O)NC(C(C(C)C)NC(CNC(C(CC3)NC3=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O fibrinopeptide B (1-13)** Neg tenofovir 100020920 209 63283 222263 Xenobiotics Drug - Antiviral 5617 NAMED SGOIRFVFHAKUTI-ZCFIWIBFSA-N C[C@@H](OCP(O)(O)=O)Cn1c2ncnc(N)c2nc1 tenofovir 147127-20-6 408154 HMDB0014445 C17407 464205 Neg efavirenz 100020922 209 63282 222261 Xenobiotics Drug - Antiviral 5614 NAMED XPOQHMRABVBWPR-ZDUSSCGKSA-N Clc1ccc2c([C@@](C#CC3CC3)(C(F)(F)F)OC(N2)=O)c1 efavirenz 154598-52-4 57715 HMDB0014763 C08088,D00896 64139 Neg etravirine 100020923 209 64197 236764 Xenobiotics Drug - Antiviral 5615 NAMED PYGWGZALEOIKDF-UHFFFAOYSA-N CC1=C(OC2=NC(NC3=CC=C(C#N)C=C3)=NC(N)=C2Br)C(C)=CC(C#N)=C1 etravirine 269055-15-4 168313 D04112 193962 Neg elvitegravir 100020935 209 63287 222276 Xenobiotics Drug - Antiviral 5611 NAMED JUZYLCPPVHEVSV-LJQANCHMSA-N CC([C@H](n(cc1C(O)=O)c2cc(OC)c(Cc3c(F)c(Cl)ccc3)cc2c1=O)CO)C elvitegravir 697761-98-1 4441060 D06677 5277135 Neg 5-hydroxy-2-methylpyridine sulfate 100020973 209 63230 222087 Xenobiotics Chemical 6296 NAMED UAQAOMYUJQVGMD-UHFFFAOYSA-N CC1=NC=C(OS(=O)(O)=O)C=C1 5-hydroxy-2-methylpyridine sulfate Neg 3-hydroxy-2-methylpyridine sulfate 100020975 209 63227 222084 Xenobiotics Chemical 6298 NAMED GOXQGRHDLROYBT-UHFFFAOYSA-N CC1=NC=CC=C1OS(=O)(O)=O 3-hydroxy-2-methylpyridine sulfate Neg cortisol 21-sulfate 100021048 209 63913 223774 Lipid Corticosteroids 3339 NAMED JOVLCJDINAUYJW-VWUMJDOOSA-N C[C@]1([C@]2([C@](C[C@@]3(C)[C@]4(CC[C@]3(O)C(COS(=O)(O)=O)=O)[H])(O)[H])[H])CCC(C=C1CC[C@]24[H])=O cortisol 21-sulfate 152957-32-9 92304 HMDB0062779 102172 Neg taurochenodeoxycholic acid 3-sulfate 100021093 209 62890 220741 Lipid Secondary Bile Acid Metabolism 3574 NAMED IJHJZQKOSUFQCX-WZJRQFJBSA-N [H][C@@](CCC(NCCS(O)(=O)=O)=O)([C@]1(CC[C@]2([C@@]3([C@@H](C[C@@]4(C[C@H](S(O)(=O)=O)CC[C@@]4([C@]3(C[C@H]([C@]12C)O)[H])C)[H])O)[H])[H])[H])C taurochenodeoxycholic acid 3-sulfate 24850141 HMDB0002486 52931550 Neg tetradecadienedioate (C14:2-DC)* 100021100 209 62918 220774 Lipid Fatty Acid, Dicarboxylate 1717 NAMED MUFSRLVOUKHPIZ-OVYZBVKCSA-N O=C(O)CCC/C=CC/C=CCCCCC(O)=O tetradecadienedioate (C14:2-DC)* 86018718 Neg pregnenetriol sulfate* 100021103 209 62922 220778 Lipid Pregnenolone Steroids 3293 NAMED HIYOTPJZDPVBTL-HXOPQMAFSA-N O[C@H]1C2=C[C@@H](OS(=O)(O)=O)CC[C@]2(C)C3CC[C@@]4(C)C(CCC4[C@H](O)C)C3C1 pregnenetriol sulfate* 129671303 Neg pregnenetriol disulfate* 100021104 209 62921 220777 Lipid Pregnenolone Steroids 3294 NAMED KANYWSIUKWPEOE-HXOPQMAFSA-N C[C@]12CC[C@H](OS(=O)(O)=O)C=C1[C@H](OS(=O)(O)=O)CC3C2CC[C@@]4(C)C3CCC4[C@H](O)C pregnenetriol disulfate* Neg eicosenedioate (C20:1-DC)* 100021105 209 62923 220779 Lipid Fatty Acid, Dicarboxylate 1726 NAMED NZLFRLCYQVOISV-IWQZZHSRSA-N OC(CCCCCCCCC/C=CCCCCCCCC(O)=O)=O eicosenedioate (C20:1-DC)* Neg picolinoylglycine 100021198 209 63057 221668 Lipid Fatty Acid Metabolism (Acyl Glycine) 1860 NAMED MNYZGNSHBPLAFN-UHFFFAOYSA-N O=C(C1=CC=CC=N1)N([H])CC(O)=O picolinoylglycine 5616-29-5 9963296 HMDB0059766 11788622 Neg 4-vinylcatechol sulfate 100021208 209 64579 238261 Xenobiotics Benzoate Metabolism 4565 NAMED ILVXQMHYFMBCMJ-UHFFFAOYSA-N C=CC(C=C1O)=CC=C1OS(=O)(O)=O 4-vinylcatechol sulfate Neg phenylalanylhydroxyproline* 100021238 209 63039 221212 Peptide Dipeptide 950 NAMED WJSNJMXOBDSZDL-UHFFFAOYSA-N NC(CC1=CC=CC=C1)C(N2C(C(O)=O)CC(O)C2)=O phenylalanylhydroxyproline* 35032073 HMDB0011176 53480675 Neg metabolonic lactone sulfate 100021331 209 63153 221892 Partially Characterized Molecules Partially Characterized Molecules 6466 NAMED IJIWKJRHDDIJKI-MVCMDAJNSA-N CC1(C)C(OS(O)(=O)=O)CCC2(C)C1CC[C@]3(C)[C@H]2CC[C@@H]3C4(C)OC(CC4)=O metabolonic lactone sulfate Neg vanilloylglycine 100021363 209 63853 223434 Xenobiotics Food Component/Plant 5254 NAMED LOODYTDRRBLQNH-UHFFFAOYSA-N OC1=CC=C(C=C1OC)C(NCC(O)=O)=O vanilloylglycine 2340857 HMDB0060026 3083688 Neg branched chain 14:0 dicarboxylic acid** 100021374 209 63191 221986 Lipid Fatty Acid, Dicarboxylate 1716 NAMED JUODHHFNSQAXKF-UHFFFAOYSA-N CCCCCC(CCCC(O)=O)CCCC(O)=O branched chain 14:0 dicarboxylic acid** Neg N-succinyl-phenylalanine 100021472 209 63855 223466 Amino Acid Phenylalanine Metabolism 148 NAMED CWAGPBPLOYGROC-UHFFFAOYSA-N OC(CCC(NC(CC1=CC=CC=C1)C(O)=O)=O)=O N-succinyl-phenylalanine 2384788 3131586 Neg 1-methyl-5-imidazolelactate 100021478 209 64596 238814 Amino Acid Histidine Metabolism 96 NAMED MXETUSMIYKMMAT-UHFFFAOYSA-N CN1C=NC=C1CC(O)C(O)=O 1-methyl-5-imidazolelactate 2022510-60-5 65563369 Neg feruloylquinate (1) 100021485 209 63399 222498 Xenobiotics Food Component/Plant 4941 NAMED RAGZUCNPTLULOL-KQJPBSFVSA-N O[C@@](C[C@H]1O)(C(O)=O)C[C@H]([C@H]1O)OC(/C=C/C(C=C2)=CC(OC)=C2O)=O feruloylquinate (1) Neg feruloylquinate (4) 100021488 209 63402 222501 Xenobiotics Food Component/Plant 4944 NAMED RAGZUCNPTLULOL-KQJPBSFVSA-N O[C@@](C[C@H]1O)(C(O)=O)C[C@H]([C@H]1O)OC(/C=C/C(C=C2)=CC(OC)=C2O)=O feruloylquinate (4) Neg feruloylquinate (5) 100021489 209 63403 222502 Xenobiotics Food Component/Plant 4945 NAMED RAGZUCNPTLULOL-KQJPBSFVSA-N O[C@@](C[C@H]1O)(C(O)=O)C[C@H]([C@H]1O)OC(/C=C/C(C=C2)=CC(OC)=C2O)=O feruloylquinate (5) HMDB0030669 C02572 9799386 Neg (2 or 3)-decenoate (10:1n7 or n8) 100021502 209 63436 222605 Lipid Medium Chain Fatty Acid 1521 NAMED WXBXVVIUZANZAU-CMDGGOBGSA-N CCCCCCC/C=C/C(O)=O (2 or 3)-decenoate (10:1n7 or n8) Neg isoursodeoxycholate sulfate (1) 100021647 209 63602 222926 Lipid Secondary Bile Acid Metabolism 3543 NAMED WHMOBEGYTDWMIG-DNMBCGTGSA-N O[C@@H]1[C@]2([H])[C@@](CC[C@@]3(C)[C@@]2([H])CC[C@]3([H])[C@H](C)CCC(O)=O)([H])[C@@]4(C)CC[C@H](OS(=O)(O)=O)C[C@@]4([H])C1 isoursodeoxycholate sulfate (1) Neg chenodeoxycholic acid sulfate (1) 100021650 209 63607 222931 Lipid Primary Bile Acid Metabolism 3489 NAMED WHMOBEGYTDWMIG-BSWAIDMHSA-N O[C@H]1[C@]2([H])[C@@](CC[C@@]3(C)[C@@]2([H])CC[C@]3([H])[C@H](C)CCC(O)=O)([H])[C@@]4(C)CC[C@@H](OS(=O)(O)=O)C[C@@]4([H])C1 chenodeoxycholic acid sulfate (1) HMDB0002522 21252308 Neg branched-chain, straight-chain, or cyclopropyl 10:1 fatty acid (1)* 100021666 209 63615 222957 Partially Characterized Molecules Partially Characterized Molecules 6474 NAMED NIFITBVFNGQSNA-SOFGYWHQSA-N CC(C)CCCC/C=C/C(O)=O branched-chain, straight-chain, or cyclopropyl 10:1 fatty acid (1)* Neg branched-chain, straight-chain, or cyclopropyl 10:1 fatty acid (2)* 100021667 209 63616 222958 Partially Characterized Molecules Partially Characterized Molecules 6475 NAMED NIFITBVFNGQSNA-SOFGYWHQSA-N CC(C)CCCC/C=C/C(O)=O branched-chain, straight-chain, or cyclopropyl 10:1 fatty acid (2)* Neg citronellic acid 100021673 209 64173 236716 Lipid Fatty Acid, Branched 1653 NAMED GJWSUKYXUMVMGX-UHFFFAOYSA-N O=C(CC(C)CC/C=C(C)/C)O citronellic acid 502-47-6 9973 HMDB35837 C16462 10402 Neg carnitine of C10H14O2 (5)* 100021678 209 63650 223033 Partially Characterized Molecules Partially Characterized Molecules 6472 NAMED carnitine of C10H14O2 (5)* Neg 3-bromo-5-chloro-2,6-dihydroxybenzoic acid* 100021707 209 63681 223106 Xenobiotics Chemical 6304 NAMED AJSVSHDVMDXRFN-UHFFFAOYSA-N OC(C1=C(O)C(Cl)=CC(Br)=C1O)=O 3-bromo-5-chloro-2,6-dihydroxybenzoic acid* 134581543 Neg branched-chain, straight-chain, or cyclopropyl 12:1 fatty acid* 100021709 209 63683 223108 Partially Characterized Molecules Partially Characterized Molecules 6477 NAMED FQSFPMAZIOPKLO-JXMROGBWSA-N OC(/C=C/CCCC(C)CCCC)=O branched-chain, straight-chain, or cyclopropyl 12:1 fatty acid* Neg deoxycholic acid 12-sulfate* 100021712 209 63688 223114 Lipid Secondary Bile Acid Metabolism 3515 NAMED GMRIQHBJNVMHJA-LLQZFEROSA-N O[C@H]1C[C@]2([H])[C@]([C@@]3([H])C[C@H](OS(O)(=O)=O)[C@@]4(C)[C@](CC[C@@]4([C@H](C)CCC(O)=O)[H])([H])[C@]3([H])CC2)(C)CC1 deoxycholic acid 12-sulfate* Neg GlcNAc sulfate conjugate of C21H34O2 steroid** 100021726 209 63699 223153 Partially Characterized Molecules Partially Characterized Molecules 6479 NAMED GlcNAc sulfate conjugate of C21H34O2 steroid** Neg cis-3,4-methyleneheptanoate 100021727 209 64390 237469 Lipid Fatty Acid, Branched 1666 NAMED VFMNSFWBDMRNLJ-BQBZGAKWSA-N O=C(C[C@@]1([H])[C@@](C1)([H])CCC)O cis-3,4-methyleneheptanoate Neg ampicillin 100021747 209 63738 223271 Xenobiotics Drug - Antibiotic 5499 NAMED AVKUERGKIZMTKX-UHFFFAOYSA-N CC1(C)C(C(O)=O)N2C(C(NC(C(N)C3=CC=CC=C3)=O)C2=O)S1 ampicillin 69-53-4 2089 HMDB0014559 C06574 6249 Neg chlorothiazide 100021791 209 64188 236746 Xenobiotics Drug - Cardiovascular 5724 NAMED JBMKAUGHUNFTOL-UHFFFAOYSA-N Clc1cc2c(S(=O)(N=CN2)=O)cc1S(=O)(N)=O chlorothiazide 58-94-6 Neg acetazolamide 100021792 209 64181 236732 Xenobiotics Drug - Cardiovascular 5735 NAMED BZKPWHYZMXOIDC-UHFFFAOYSA-N CC(Nc1sc(S(=O)(N)=O)nn1)=O acetazolamide 59-66-5 Neg bumetanide 100021793 209 64203 236776 Xenobiotics Drug - Cardiovascular 5714 NAMED MAEIEVLCKWDQJH-UHFFFAOYSA-N CCCCNc1c(Oc2ccccc2)c(S(=O)(N)=O)cc(C(O)=O)c1 bumetanide 28395-03-1 Neg torasemide 100021794 209 64201 236772 Xenobiotics Drug - Cardiovascular 5720 NAMED NGBFQHCMQULJNZ-UHFFFAOYSA-N Cc1cc(Nc2c(S(=O)(NC(NC(C)C)=O)=O)cncc2)ccc1 torasemide 56211-40-6 Neg metolazone 100021795 209 64208 236784 Xenobiotics Drug - Cardiovascular 5734 NAMED AQCHWTWZEMGIFD-UHFFFAOYSA-N Cc1c(N2C(C)Nc3c(C2=O)cc(S(=O)(N)=O)c(Cl)c3)cccc1 metolazone 17560-51-9 Neg 2-methoxyhydroquinone sulfate (1) 100021839 209 64049 233195 Xenobiotics Benzoate Metabolism 4619 NAMED LEJCLCZOTCOTQE-UHFFFAOYSA-N OC1=CC=C(OS(=O)(O)=O)C=C1OC 2-methoxyhydroquinone sulfate (1) Neg 2-methoxyhydroquinone sulfate (2) 100021840 209 64050 233196 Xenobiotics Benzoate Metabolism 4620 NAMED DQJWAJBJWZYKLK-UHFFFAOYSA-N OC1=CC=C(OS(=O)(O)=O)C(OC)=C1 2-methoxyhydroquinone sulfate (2) Neg 2,4-di-tert-butylphenol 100021918 209 64328 237314 Xenobiotics Chemical 6221 NAMED ICKWICRCANNIBI-UHFFFAOYSA-N CC(C)(c1cc(C(C)(C)C)c(O)cc1)C 2,4-di-tert-butylphenol 96-76-4 Neg 6-sulfatoxymelatonin 100021960 209 64512 238521 Amino Acid Tryptophan Metabolism 299 NAMED QQEILXDLZRLTME-UHFFFAOYSA-N CC(NCCC1=CNC2=CC(OS(=O)(O)=O)=C(OC)C=C21)=O 6-sulfatoxymelatonin 2208-40-4 HMDB0041815 65096 Neg cis-3,4-methyleneheptanoylglycine 100021992 209 64386 237461 Lipid Fatty Acid Metabolism (Acyl Glycine) 1837 NAMED FFFQOVJTIDIKQJ-YUMQZZPRSA-N O=C(NCC(O)=O)C[C@@H]1C[C@@H]1CCC cis-3,4-methyleneheptanoylglycine Neg bilirubin degradation product, C16H18N2O5 (1)** 100022003 209 64403 237531 Partially Characterized Molecules Partially Characterized Molecules 6487 NAMED bilirubin degradation product, C16H18N2O5 (1)** Neg bilirubin degradation product, C16H18N2O5 (2)** 100022004 209 64404 237533 Partially Characterized Molecules Partially Characterized Molecules 6488 NAMED bilirubin degradation product, C16H18N2O5 (2)** Neg bilirubin degradation product, C17H18N2O4 (1)** 100022005 209 64409 237542 Partially Characterized Molecules Partially Characterized Molecules 6489 NAMED bilirubin degradation product, C17H18N2O4 (1)** Neg bilirubin degradation product, C17H18N2O4 (2)** 100022006 209 64407 237539 Partially Characterized Molecules Partially Characterized Molecules 6490 NAMED bilirubin degradation product, C17H18N2O4 (2)** Neg bilirubin degradation product, C17H18N2O4 (3)** 100022007 209 64408 237541 Partially Characterized Molecules Partially Characterized Molecules 6491 NAMED bilirubin degradation product, C17H18N2O4 (3)** Neg bilirubin degradation product, C17H20N2O5 (1)** 100022008 209 64405 237535 Partially Characterized Molecules Partially Characterized Molecules 6492 NAMED bilirubin degradation product, C17H20N2O5 (1)** Neg bilirubin degradation product, C17H20N2O5 (2)** 100022009 209 64406 237537 Partially Characterized Molecules Partially Characterized Molecules 6493 NAMED bilirubin degradation product, C17H20N2O5 (2)** Neg tetrahydrocortisol glucuronide 100022013 209 64411 237545 Lipid Corticosteroids 3342 NAMED OZINUFSVVJAFHD-LUPKFNMHSA-N [H][C@@]12[C@@]3(C)CC[C@@H](OC4OC(C(O)=O)C(O)C(O)C4O)C[C@@]3([H])CC[C@@]1([H])[C@]5([H])CC[C@@](C(CO)=O)(O)[C@@]5(C)C[C@@H]2O tetrahydrocortisol glucuronide Neg bilirubin degradation product, C16H18N2O5 (3)** 100022014 209 64414 237567 Partially Characterized Molecules Partially Characterized Molecules 6494 NAMED bilirubin degradation product, C16H18N2O5 (3)** Neg bilirubin degradation product, C16H18N2O5 (4)** 100022015 209 64415 237569 Partially Characterized Molecules Partially Characterized Molecules 6495 NAMED bilirubin degradation product, C16H18N2O5 (4)** Neg tetrahydrocortisone glucuronide (5) 100022127 209 64591 238327 Lipid Corticosteroids 3355 NAMED QUOCEDQXFGCYTL-QMELEVSMSA-N [H][C@@]12C[C@H](OC3C(O)C(O)C(O)C(C(O)=O)O3)CC[C@]1(C)[C@@]([C@@]4([H])CC2)([H])C(C[C@@]5(C)[C@@]4([H])CC[C@]5(O)C(CO)=O)=O tetrahydrocortisone glucuronide (5) Neg menthol glucuronide 100022475 209 64873 240049 Xenobiotics Food Component/Plant 4998 NAMED CLJGMBYGTHRUNF-PJQJKGEDSA-N C[C@@H]1CC[C@@H](C(C)C)[C@H](O[C@H]2[C@H](O)[C@@H](O)[C@H](O)[C@@H](C(O)=O)O2)C1 menthol glucuronide 79466-08-3 Neg N-lactoyl isoleucine 100022479 209 64879 240090 Amino Acid Lactoyl Amino Acid 642 NAMED OC([C@@H](NC([C@H](C)O)=O)[C@H](CC)C)=O N-lactoyl isoleucine 210769-85-0 Neg N-lactoyl leucine 100022480 209 64880 240091 Amino Acid Lactoyl Amino Acid 643 NAMED OC([C@@H](NC([C@H](C)O)=O)CC(C)C)=O N-lactoyl leucine 210769-82-7 Neg N-lactoyl phenylalanine 100022482 209 64881 240092 Amino Acid Lactoyl Amino Acid 645 NAMED OC([C@@H](NC([C@H](C)O)=O)CC1=CC=CC=C1)=O N-lactoyl phenylalanine 183241-73-8 Neg N-lactoyl tyrosine 100022484 209 64882 240093 Amino Acid Lactoyl Amino Acid 646 NAMED OC([C@@H](NC([C@H](C)O)=O)CC1=CC=C(C=C1)O)=O N-lactoyl tyrosine 1373771-50-6 Neg N-lactoyl valine 100022485 209 64883 240094 Amino Acid Lactoyl Amino Acid 647 NAMED OC([C@@H](NC([C@H](C)O)=O)C(C)C)=O N-lactoyl valine 21753-44-6 Neg X-07765 999907765 209 46590 146351 UNNAMED X-07765 Neg X-10458 999910458 209 47478 148974 UNNAMED X-10458 Neg X-11299 999911299 209 46592 146353 UNNAMED X-11299 Neg X-11308 999911308 209 46390 145473 UNNAMED X-11308 Neg X-11315 999911315 209 49592 161333 UNNAMED X-11315 Neg X-11372 999911372 209 46594 146355 UNNAMED X-11372 Neg X-11378 999911378 209 46595 146356 UNNAMED X-11378 Neg X-11381 999911381 209 46347 145026 UNNAMED X-11381 Neg X-11407 999911407 209 46596 146357 UNNAMED X-11407 Neg X-11444 999911444 209 46460 145547 UNNAMED X-11444 Neg X-11470 999911470 209 46601 149582 UNNAMED X-11470 Neg X-11478 999911478 209 46602 146364 UNNAMED X-11478 Neg X-11483 999911483 209 47650 149583 UNNAMED X-11483 Neg X-11612 999911612 209 47431 148921 UNNAMED X-11612 Neg X-11632 999911632 209 47493 148992 UNNAMED X-11632 Neg X-11843 999911843 209 46466 145553 UNNAMED X-11843 Neg X-11847 999911847 209 46488 145575 UNNAMED X-11847 Neg X-11849 999911849 209 46607 146369 UNNAMED X-11849 Neg X-11850 999911850 209 46507 145594 UNNAMED X-11850 Neg X-11852 999911852 209 46521 145608 UNNAMED X-11852 Neg X-11858 999911858 209 47654 149587 UNNAMED X-11858 Neg X-11861 999911861 209 47655 149588 UNNAMED X-11861 Neg X-11880 999911880 209 46608 146370 UNNAMED X-11880 Neg X-11979 999911979 209 47508 149008 UNNAMED X-11979 Neg X-12007 999912007 209 46610 146372 UNNAMED X-12007 Neg X-12013 999912013 209 46611 146373 UNNAMED X-12013 Neg X-12015 999912015 209 47390 148867 UNNAMED X-12015 Neg X-12026 999912026 209 47905 150050 UNNAMED X-12026 Neg X-12027 999912027 209 47510 149010 UNNAMED X-12027 Neg X-12104 999912104 209 52597 165325 UNNAMED X-12104 Neg X-12111 999912111 209 52797 165636 UNNAMED X-12111 Neg X-12126 999912126 209 46966 148219 UNNAMED X-12126 Neg X-12193 999912193 209 46985 148238 UNNAMED X-12193 Neg X-12216 999912216 209 46613 146375 UNNAMED X-12216 Neg X-12221 999912221 209 47911 150059 UNNAMED X-12221 Neg X-12261 999912261 209 47657 149590 UNNAMED X-12261 Neg X-12262 999912262 209 47914 150064 UNNAMED X-12262 Neg X-12306 999912306 209 47917 150069 UNNAMED X-12306 Neg X-12407 999912407 209 46615 146377 UNNAMED X-12407 Neg X-12410 999912410 209 47921 150074 UNNAMED X-12410 Neg X-12411 999912411 209 46616 146378 UNNAMED X-12411 Neg X-12456 999912456 209 47639 149571 UNNAMED X-12456 Neg X-12544 999912544 209 46510 145597 UNNAMED X-12544 Neg X-12701 999912701 209 46962 148215 UNNAMED X-12701 Neg X-12707 999912707 209 47929 150086 UNNAMED X-12707 Neg X-12708 999912708 209 47930 150087 UNNAMED X-12708 Neg X-12713 999912713 209 47932 150090 UNNAMED X-12713 Neg X-12714 999912714 209 46318 144553 UNNAMED X-12714 Neg X-12718 999912718 209 46973 148226 UNNAMED X-12718 Neg X-12726 999912726 209 47936 150096 UNNAMED X-12726 Neg X-12729 999912729 209 46623 146385 UNNAMED X-12729 Neg X-12731 999912731 209 47938 150102 UNNAMED X-12731 Neg X-12738 999912738 209 47940 150105 UNNAMED X-12738 Neg X-12740 999912740 209 46627 146567 UNNAMED X-12740 Neg X-12812 999912812 209 46986 148239 UNNAMED X-12812 Neg X-12816 999912816 209 46630 146570 UNNAMED X-12816 Neg X-12818 999912818 209 47943 150120 UNNAMED X-12818 Neg X-12822 999912822 209 46997 148250 UNNAMED X-12822 Neg X-12830 999912830 209 47662 149595 UNNAMED X-12830 Neg X-12834 999912834 209 47950 150136 UNNAMED X-12834 Neg X-12839 999912839 209 47014 148267 UNNAMED X-12839 Neg X-12844 999912844 209 46633 146573 UNNAMED X-12844 Neg X-12847 999912847 209 46364 145065 UNNAMED X-12847 Neg X-12851 999912851 209 46639 146579 UNNAMED X-12851 Neg X-12906 999912906 209 47955 150146 UNNAMED X-12906 Neg X-13553 999913553 209 47959 150152 UNNAMED X-13553 Neg X-13658 999913658 209 47664 149597 UNNAMED X-13658 Neg X-13688 999913688 209 47960 150153 UNNAMED X-13688 Neg X-13695 999913695 209 47962 150157 UNNAMED X-13695 Neg X-13726 999913726 209 47967 150163 UNNAMED X-13726 Neg X-13728 999913728 209 46645 146585 UNNAMED X-13728 Neg X-13729 999913729 209 47971 150167 UNNAMED X-13729 Neg X-13844 999913844 209 47977 150176 UNNAMED X-13844 Neg X-13846 999913846 209 47978 150178 UNNAMED X-13846 Neg X-13866 999913866 209 46417 145500 UNNAMED X-13866 Neg X-13874 999913874 209 47982 150182 UNNAMED X-13874 Neg X-13879 999913879 209 47983 150184 UNNAMED X-13879 Neg X-14939 999914939 209 46657 146598 UNNAMED X-14939 Neg X-15220 999915220 209 46658 146599 UNNAMED X-15220 Neg X-15245 999915245 209 46661 146603 UNNAMED X-15245 Neg X-15486 999915486 209 46266 144512 UNNAMED X-15486 Neg X-15503 999915503 209 46977 148230 UNNAMED X-15503 Neg X-15728 999915728 209 46666 146611 UNNAMED X-15728 Neg X-15806 999915806 209 47263 148740 UNNAMED X-15806 Neg X-16087 999916087 209 47988 150190 UNNAMED X-16087 Neg X-16576 999916576 209 46673 146620 UNNAMED X-16576 Neg X-16649 999916649 209 47992 150196 UNNAMED X-16649 Neg X-16935 999916935 209 46681 146628 UNNAMED X-16935 Neg X-16938 999916938 209 46511 145598 UNNAMED X-16938 Neg X-17010 999917010 209 47993 150197 UNNAMED X-17010 Neg X-17146 999917146 209 46691 146642 UNNAMED X-17146 Neg X-17343 999917343 209 47995 150199 UNNAMED X-17343 Neg X-17348 999917348 209 46989 148242 UNNAMED X-17348 Neg X-17351 999917351 209 48001 150205 UNNAMED X-17351 Neg X-17353 999917353 209 48003 150207 UNNAMED X-17353 Neg X-17355 999917355 209 48007 150211 UNNAMED X-17355 Neg X-17357 999917357 209 48009 150214 UNNAMED X-17357 Neg X-17361 999917361 209 48013 150218 UNNAMED X-17361 Neg X-17365 999917365 209 46976 148229 UNNAMED X-17365 Neg X-17367 999917367 209 46994 148247 UNNAMED X-17367 Neg X-17398 999917398 209 48051 150257 UNNAMED X-17398 Neg X-17438 999917438 209 46705 146667 UNNAMED X-17438 Neg X-17612 999917612 209 48052 150258 UNNAMED X-17612 Neg X-17653 999917653 209 46707 146670 UNNAMED X-17653 Neg X-17654 999917654 209 46709 146673 UNNAMED X-17654 Neg X-17655 999917655 209 48019 150225 UNNAMED X-17655 Neg X-17674 999917674 209 46969 148222 UNNAMED X-17674 Neg X-17676 999917676 209 46970 148223 UNNAMED X-17676 Neg X-17685 999917685 209 48025 150231 UNNAMED X-17685 Neg X-17686 999917686 209 48026 150232 UNNAMED X-17686 Neg X-17688 999917688 209 48027 150233 UNNAMED X-17688 Neg X-17690 999917690 209 46710 146674 UNNAMED X-17690 Neg X-17765 999917765 209 48055 150261 UNNAMED X-17765 Neg X-18059 999918059 209 48039 150245 UNNAMED X-18059 Neg X-18240 999918240 209 48041 150247 UNNAMED X-18240 Neg X-18345 999918345 209 47342 148819 UNNAMED X-18345 Neg X-18779 999918779 209 46687 146634 UNNAMED X-18779 Neg X-18886 999918886 209 48047 150253 UNNAMED X-18886 Neg X-18887 999918887 209 47301 148778 UNNAMED X-18887 Neg X-18888 999918888 209 48048 150254 UNNAMED X-18888 Neg X-18901 999918901 209 46690 146640 UNNAMED X-18901 Neg X-18913 999918913 209 46695 146647 UNNAMED X-18913 Neg X-18921 999918921 209 47671 149605 UNNAMED X-18921 Neg X-18922 999918922 209 46700 146656 UNNAMED X-18922 Neg X-18945 999918945 209 48058 150264 UNNAMED X-18945 Neg X-19141 999919141 209 46701 146658 UNNAMED X-19141 Neg X-19183 999919183 209 47672 149606 UNNAMED X-19183 Neg X-19299 999919299 209 47673 149607 UNNAMED X-19299 Neg X-19438 999919438 209 46261 144424 UNNAMED X-19438 Neg X-21258 999921258 209 46259 144401 UNNAMED X-21258 Neg X-21285 999921285 209 46294 144527 UNNAMED X-21285 Neg X-21286 999921286 209 46295 144528 UNNAMED X-21286 Neg X-21310 999921310 209 46354 145053 UNNAMED X-21310 Neg X-21312 999921312 209 46356 145055 UNNAMED X-21312 Neg X-21315 999921315 209 46359 145058 UNNAMED X-21315 Neg X-21319 999921319 209 46363 145064 UNNAMED X-21319 Neg X-21327 999921327 209 46371 145072 UNNAMED X-21327 Neg X-21339 999921339 209 46384 145467 UNNAMED X-21339 Neg X-21351 999921351 209 46396 145479 UNNAMED X-21351 Neg X-21353 999921353 209 46398 145481 UNNAMED X-21353 Neg X-21364 999921364 209 46409 145492 UNNAMED X-21364 Neg X-21383 999921383 209 46428 145511 UNNAMED X-21383 Neg X-21410 999921410 209 46455 145542 UNNAMED X-21410 Neg X-21441 999921441 209 46486 145573 UNNAMED X-21441 Neg X-21442 999921442 209 46487 145574 UNNAMED X-21442 Neg X-21467 999921467 209 46512 145599 UNNAMED X-21467 Neg X-21470 999921470 209 46515 145602 UNNAMED X-21470 Neg X-21471 999921471 209 46516 145603 UNNAMED X-21471 Neg X-21607 999921607 209 46674 146621 UNNAMED X-21607 Neg X-21628 999921628 209 46696 146648 UNNAMED X-21628 Neg X-21661 999921661 209 46730 146756 UNNAMED X-21661 Neg X-21733 999921733 209 46902 148140 UNNAMED X-21733 Neg X-21736 999921736 209 46905 148143 UNNAMED X-21736 Neg X-21752 999921752 209 46923 148161 UNNAMED X-21752 Neg X-21796 999921796 209 46972 148225 UNNAMED X-21796 Neg X-21803 999921803 209 46980 148233 UNNAMED X-21803 Neg X-21815 999921815 209 46992 148245 UNNAMED X-21815 Neg X-21816 999921816 209 46993 148246 UNNAMED X-21816 Neg X-21821 999921821 209 46998 148251 UNNAMED X-21821 Neg X-21828 999921828 209 47005 148258 UNNAMED X-21828 Neg X-21829 999921829 209 47006 148259 UNNAMED X-21829 Neg X-21831 999921831 209 47008 148261 UNNAMED X-21831 Neg X-21834 999921834 209 47011 148264 UNNAMED X-21834 Neg X-21838 999921838 209 47015 148268 UNNAMED X-21838 Neg X-21840 999921840 209 47017 148270 UNNAMED X-21840 Neg X-21845 999921845 209 47022 148275 UNNAMED X-21845 Neg X-21851 999921851 209 47028 148281 UNNAMED X-21851 Neg X-21959 999921959 209 47205 148682 UNNAMED X-21959 Neg X-22143 999922143 209 47389 148866 UNNAMED X-22143 Neg X-22520 999922520 209 47784 149723 UNNAMED X-22520 Neg X-22771 999922771 209 48076 150290 UNNAMED X-22771 Neg X-22776 999922776 209 48081 150295 UNNAMED X-22776 Neg X-22834 999922834 209 48185 153109 UNNAMED X-22834 Neg X-23157 999923157 209 48771 154880 UNNAMED X-23157 Neg X-23188 999923188 209 48882 160436 UNNAMED X-23188 Neg X-23276 999923276 209 48972 160567 UNNAMED X-23276 Neg X-23329 999923329 209 49029 160644 UNNAMED X-23329 Neg X-23429 999923429 209 49289 160923 UNNAMED X-23429 Neg X-23787 999923787 209 49688 161555 UNNAMED X-23787 Neg X-23974 999923974 209 49883 161829 UNNAMED X-23974 Neg X-24089 999924089 209 52118 164062 UNNAMED X-24089 Neg X-24135 999924135 209 52164 164108 UNNAMED X-24135 Neg X-24295 999924295 209 52483 165167 UNNAMED X-24295 Neg X-24306 999924306 209 52501 165211 UNNAMED X-24306 Neg X-24307 999924307 209 52502 165212 UNNAMED X-24307 Neg X-24328 999924328 209 52524 165251 UNNAMED X-24328 Neg X-24330 999924330 209 52526 165253 UNNAMED X-24330 Neg X-24334 999924334 209 52530 165257 UNNAMED X-24334 Neg X-24337 999924337 209 52533 165260 UNNAMED X-24337 Neg X-24338 999924338 209 52534 165261 UNNAMED X-24338 Neg X-24339 999924339 209 52535 165262 UNNAMED X-24339 Neg X-24352 999924352 209 52548 165275 UNNAMED X-24352 Neg X-24406 999924406 209 52635 165388 UNNAMED X-24406 Neg X-24414 999924414 209 52643 165396 UNNAMED X-24414 Neg X-24418 999924418 209 52647 165400 UNNAMED X-24418 Neg X-24489 999924489 209 52808 165653 UNNAMED X-24489 Neg X-24493 999924493 209 52812 165657 UNNAMED X-24493 Neg X-24494 999924494 209 52813 165658 UNNAMED X-24494 Neg X-24539 999924539 209 52860 165706 UNNAMED X-24539 Neg X-24541 999924541 209 52862 165708 UNNAMED X-24541 Neg X-24543 999924543 209 52864 165710 UNNAMED X-24543 Neg X-24544 999924544 209 52865 165711 UNNAMED X-24544 Neg X-24545 999924545 209 52866 165712 UNNAMED X-24545 Neg X-24546 999924546 209 52867 165713 UNNAMED X-24546 Neg X-24549 999924549 209 52870 165716 UNNAMED X-24549 Neg X-24556 999924556 209 52877 165723 UNNAMED X-24556 Neg X-24570 999924570 209 52891 165737 UNNAMED X-24570 Neg X-24571 999924571 209 52892 165738 UNNAMED X-24571 Neg X-24575 999924575 209 52896 165742 UNNAMED X-24575 Neg X-24576 999924576 209 52897 165743 UNNAMED X-24576 Neg X-24577 999924577 209 52898 165744 UNNAMED X-24577 Neg X-24578 999924578 209 52899 165745 UNNAMED X-24578 Neg X-24579 999924579 209 52900 165746 UNNAMED X-24579 Neg X-24581 999924581 209 52902 165748 UNNAMED X-24581 Neg X-24582 999924582 209 52903 165749 UNNAMED X-24582 Neg X-24588 999924588 209 52909 165756 UNNAMED X-24588 Neg X-24608 999924608 209 53023 165964 UNNAMED X-24608 Neg X-24637 999924637 209 53065 166452 UNNAMED X-24637 Neg X-24657 999924657 209 53085 166472 UNNAMED X-24657 Neg X-24669 999924669 209 53097 166484 UNNAMED X-24669 Neg X-24670 999924670 209 53098 166485 UNNAMED X-24670 Neg X-24762 999924762 209 54700 180947 UNNAMED X-24762 Neg X-24947 999924947 209 57714 213216 UNNAMED X-24947 Neg X-24949 999924949 209 57716 213218 UNNAMED X-24949 Neg X-24951 999924951 209 57718 213220 UNNAMED X-24951 Neg X-24953 999924953 209 57720 213222 UNNAMED X-24953 Neg X-24972 999924972 209 57756 213361 UNNAMED X-24972 Neg X-24978 999924978 209 57819 213980 UNNAMED X-24978 Neg X-25247 999925247 209 62464 219705 UNNAMED X-25247 Neg X-25279 999925279 209 62521 219836 UNNAMED X-25279 Neg X-25310 999925310 209 62603 220102 UNNAMED X-25310 Neg X-25317 999925317 209 62610 220109 UNNAMED X-25317 Neg X-25371 999925371 209 62664 220176 UNNAMED X-25371 Neg X-25388 999925388 209 62681 220193 UNNAMED X-25388 Neg X-25406 999925406 209 62700 220213 UNNAMED X-25406 Neg X-25433 999925433 209 62749 220316 UNNAMED X-25433 Neg X-25434 999925434 209 62750 220317 UNNAMED X-25434 Neg X-25435 999925435 209 62751 220318 UNNAMED X-25435 Neg X-25450 999925450 209 62820 220481 UNNAMED X-25450 Neg X-25455 999925455 209 62825 220486 UNNAMED X-25455 Neg X-25456 999925456 209 62826 220487 UNNAMED X-25456 Neg X-25468 999925468 209 62891 220743 UNNAMED X-25468 Neg X-25503 999925503 209 62937 220805 UNNAMED X-25503 Neg X-25511 999925511 209 62945 220813 UNNAMED X-25511 Neg X-25523 999925523 209 62967 220856 UNNAMED X-25523 Neg X-25542 999925542 209 63067 221690 UNNAMED X-25542 Neg X-25668 999925668 209 63395 222488 UNNAMED X-25668 Neg X-25802 999925802 209 63574 222829 UNNAMED X-25802 Neg X-25806 999925806 209 63578 222833 UNNAMED X-25806 Neg X-25937 999925937 209 63867 223508 UNNAMED X-25937 Neg X-26054 999926054 209 64267 235788 UNNAMED X-26054 Neg X-26062 999926062 209 64337 237366 UNNAMED X-26062 Neg X-26109 999926109 209 64399 237506 UNNAMED X-26109 Neg X-26111 999926111 209 64401 237508 UNNAMED X-26111 Neg X-26119 999926119 209 64440 237727 UNNAMED X-26119 Neg X-26158 999926158 209 64795 239607 UNNAMED X-26158 Neg X-26162 999926162 209 64799 239628 UNNAMED X-26162 Neg X-26191 999926191 209 64917 240210 UNNAMED X-26191 Neg X-26220 999926220 209 64950 240319 UNNAMED X-26220 Neg X-26277 999926277 209 65056 240807 UNNAMED X-26277 Neg METABOLITES_END #END