Selected Cell
Cell:
Value:
Sample_metadata
REF
log2
MEAN_FC
SD_FC
FC
FC_BatchCorrected
perturbations
TFs
Automated_SS_simulations_mean
SamplesStandardDeviation_5.2
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| # Sample minimal metadata, connects the data to parameters in the model | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Experiment | Type | Growth condition | Target | Model parameter | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| blank_control_7 | control | adherent, non-aerated, non-stirred | NA | NA | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| water_control_7 | control | adherent, non-aerated, non-stirred | NA | NA | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| WT_5 | control | adherent, non-aerated, non-stirred | NA | NA | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| WT_perturbation_7 | control | adherent, non-aerated, non-stirred | NA | NA | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| KO51_mutant_6 | mutant | adherent, non-aerated, non-stirred | glpd | NA | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| MPN025-OE_6 | mutant | adherent, non-aerated, non-stirred | tsr | FBA | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| MPN025-OE_7 | mutant | adherent, non-aerated, non-stirred | tsr | FBA | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| MPN051-KO_5 | mutant | adherent, non-aerated, non-stirred, | glpD | NA | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| MPN051-OE_7 | mutant | adherent, non-aerated, non-stirred | glpD | NA | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| MPN250-OE_5 | mutant | adherent, non-aerated, non-stirred | pgi | PGI | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| MPN250-OE_7 | mutant | adherent, non-aerated, non-stirred | pgi | PGI | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| MPN302-OE_6 | mutant | adherent, non-aerated, non-stirred | pfkA | PFK | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| MPN302-OE_7 | mutant | adherent, non-aerated, non-stirred | pfkA | PFK | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| MPN303-OE_5 | mutant | adherent, non-aerated, non-stirred | pyk | PYK | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| MPN303-OE_6 | mutant | adherent, non-aerated, non-stirred | pyk | PYK | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| MPN303-OE_7 | mutant | adherent, non-aerated, non-stirred | pyk | PYK | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| MPN430-OE_6 | mutant | adherent, non-aerated, non-stirred | gap | GAP | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| MPN606-OE_6 | mutant | adherent, non-aerated, non-stirred | eno | ENO | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| MPN627-OE_7 | mutant | adherent, non-aerated, non-stirred | ptsI | NA | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| MPN674-KO, NoxE OE_5 | mutant | adherent, non-aerated, non-stirred | ldh, noxe | LDH, NA | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| MPN674-KO_5 | mutant | adherent, non-aerated, non-stirred | ldh | LDH | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| MPN674-KO_6 | mutant | adherent, non-aerated, non-stirred | ldh | LDH | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| MPN674-OE_5 | mutant | adherent, non-aerated, non-stirred | ldh | LDH | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| MPN674-OE_7 | mutant | adherent, non-aerated, non-stirred | ldh | LDH | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Tn674_mutant_7 | mutant | adherent, non-aerated, non-stirred | ldh | LDH | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Tn051_Gly_perturbation_7 | mutant, perturbation | adherent, non-aerated, non-stirred, glycerol | glpD | NA | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| AA_perturbation_6 | perturbation | adherent, non-aerated, non-stirred | NA | NA | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Fe_perturbation_6 | perturbation | adherent, non-aerated, non-stirred | NA | NA | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Glu_perturbation_6 | perturbation | adherent, non-aerated, non-stirred | NA | NA | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Glucose_starv_perturbation_7 | perturbation | adherent, no aeration, non stirred | NA | NA | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Gly_ctrl_perturbation_7 | perturbation | adherent, non-aerated, non-stirred | NA | NA | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Gly_perturbation_6 | perturbation | adherent, non-aerated, non-stirred, glycerol | NA | NA | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Ox_perturbation_6 | perturbation | adherent, aerated, non-stirred | NA | NA | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| WT_noGluc_perturbation_7 | perturbation | adherent, non-aerated, non-stirred | NA | NA | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| 24h_timecourse_4 | time course | adherent, non-aerated, non-stirred | NA | NA | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| 48h_timecourse_4 | time course | adherent, non-aerated, non-stirred | NA | NA | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| 6h_timecourse_4 | time course | adherent, non-aerated, non-stirred | NA | NA | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| M129_timecourse_24h_3 | time course, perturbation | adherent, aerated | NA | NA | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| M129_timecourse_48h_3 | time course, perturbation | adherent, aerated | NA | NA | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| M129_timecourse_6h_3 | time course, perturbation | adherent, aerated | NA | NA | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| M129_timecourse_96h_3 | time course, perturbation | adherent, aerated | NA | NA | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| B170_timecourse_24h_3 | time course, perturbation, mutant | non-adherent (grown in suspension), aerated | NA | NA | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| B170_timecourse_48h_3 | time course, perturbation, mutant | non-adherent (grown in suspension), aerated | NA | NA | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| B170_timecourse_6h_3 | time course, perturbation, mutant | non-adherent (grown in suspension), aerated | NA | NA | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| B170_timecourse_96h_3 | time course, perturbation, mutant | non-adherent (grown in suspension), aerated | NA | NA | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
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| # Refference blocks, use for normalization | |||||||||||||||||||||||||
| REF block 3 | REF block 5 | REF2 block 5 | REF1 block 6 | REF2 block 6 | REF Tns block 6 | REF Carolina block 6 | REF block 7 | ||||||||||||||||||
| metabolite | -5.291235943508763 | -5.103544545960096 | -5.348987592535131 | -3.2069495798466177 | -3.594322047910481 | -3.645710131768568 | -3.3282251681104125 | -4.300203638804396 | -4.057887627644341 | -3.615651048393792 | -3.53244841586067 | -3.5521225661088924 | -3.8335064172153532 | -3.8363868556295424 | -3.852617832014743 | -3.743615407928837 | -3.480108812831077 | -3.6670653056178018 | -4.119245976528575 | -3.9778968985451604 | -3.920194761518429 | -3.234159678653024 | -3.2183638111862214 | -3.3427126793668016 | |
| Acetate [-H(+)] | -9.066506945022454 | -9.063428693753687 | -9.17163770925642 | -8.349710017246984 | -8.329841816061567 | -8.330288174021497 | -8.326886339467286 | -8.284732497638071 | -8.332642420197063 | -8.68912679015451 | -8.655919839104602 | -8.785305052143155 | -8.898783477299395 | -8.895688116068243 | -8.90346156571192 | -8.719010231558157 | -8.905889717256038 | -8.731661838997134 | -8.731581111681704 | -8.676015156829042 | -8.71721318087095 | -9.222788119397325 | -9.223909178565616 | -9.244739221619804 | |
| Glycine [-H(+)] | -6.116603381559488 | -5.758917653676001 | -6.10754212210489 | -7.685184624721507 | -7.704035517554246 | -7.706227632280057 | -7.744079224762243 | -7.637132032506486 | -7.868153280040117 | -5.809705806563983 | -5.77066200630865 | -5.824023031166432 | -5.901642213917592 | -5.860514057439298 | -5.9735044299099735 | -6.600360950540488 | -6.551802587751853 | -6.605393588385071 | -6.596600421665636 | -6.536412017768344 | -6.569063229969429 | -5.363904797332835 | -5.288384523017487 | -5.394982578095355 | |
| Pyruvate [-H(+)] | -5.007440302810665 | -4.964872878563891 | -4.968271442894082 | -6.799856990598979 | -7.053835893756885 | -7.113919260215679 | -6.831003900589069 | -7.691241395079432 | -7.644060246754821 | -4.8457082040266775 | -4.811797545434793 | -4.8259405005312495 | -4.886277123479434 | -4.923604986675252 | -4.910297427303869 | -4.872344739658175 | -4.876787393557015 | -4.834253321937052 | -4.844750664397337 | -4.79389613851329 | -4.805865675167744 | -4.821700153048027 | -4.813482083645225 | -4.857308616273357 | |
| L-Alanine [-H(+)] | -4.716075790107105 | -4.722064065012187 | -4.665355898871143 | -3.8828265920750886 | -4.137079946280105 | -4.209984243732187 | -3.969775064466516 | -4.575689485969937 | -4.521236470819646 | -3.354458123353729 | -3.3695854698596452 | -3.3578147140002956 | -3.5031488616577677 | -3.5188896433855197 | -3.4892942057188963 | -3.5529286970373195 | -3.492187139280071 | -3.516426506844551 | -3.353756721091032 | -3.334115451427159 | -3.334187033942264 | -3.31656175476042 | -3.2984159986532533 | -3.286784066177743 | |
| Glycerone [-H(+)] | -10.918442475848535 | -10.83588369297463 | -10.691724376234124 | 0 | 0 | 0 | 0 | 0 | 0 | -10.397121547806417 | -10.36715622114406 | -10.343030839793004 | -10.59924419660714 | -10.527949881933058 | -10.648235577131913 | -10.192981666888656 | -9.972938691119268 | -10.295692809646855 | -10.940269716530363 | -11.083443303850567 | -10.858191538265878 | -10.206102161578137 | -9.987043894768656 | -9.986631548460089 | |
| Glycerol [-H(+)] | 0 | 0 | 0 | -9.371414609159483 | -9.47286452020389 | -9.542436782827975 | -9.530731259842858 | -10.346032918882212 | -10.105926693407156 | -7.70617327997969 | -7.835871603834507 | -7.774315529465071 | -7.800385909349509 | -7.714196130024073 | -7.7229370296382465 | -7.428008901789554 | -7.141065354559479 | -7.325556150351392 | -7.617835961015859 | -7.635605935418932 | -7.56290311736592 | -3.6988472033259576 | -3.4058107072577455 | -3.7582282757226544 | |
| Glycine [+F(-)] | 1.566740715989424 | 1.9434548546216848 | 1.6061574958084899 | 0 | 0 | 0 | 0 | 0 | 0 | -2.7110365373094214 | -2.774021376062288 | -2.741343988253358 | -2.9192378311057383 | -2.876850220199561 | -2.869371311816473 | -3.011451583579917 | -2.987130200120186 | -2.9749245486479774 | -3.238201037508814 | -3.250596135699481 | -3.2519142983772023 | 0 | 0 | 0 | |
| Orthophosphate [-H(+)] | -6.764059809775379 | -6.894437892577145 | -6.749105469432491 | -8.287712292768243 | -8.464502086399493 | -8.44688086024874 | -8.32254332682507 | -8.48745970605513 | -8.559184357318314 | -6.554113023861959 | -6.4382371103737075 | -6.5196407876044145 | -6.518034831082832 | -6.5229475689492125 | -6.527901135278549 | -6.5630817622190705 | -6.688683156609019 | -6.6141227769323585 | -6.593055852631609 | -6.46193661938523 | -6.509342826712231 | -6.934382697899661 | -6.920798591499228 | -6.91999183985012 | |
| L-Serine [-H(+)] | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | -10.697153868346605 | -10.6374564380377 | -10.67772797793678 | |
| Pyruvate [+F(-)] | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | -7.895974622557919 | -8.053719976432633 | -8.040646794347253 | -7.86233133789281 | -7.739816896468014 | -7.771556986326652 | -7.457137197684698 | -7.158819041138219 | -7.408455348164447 | -7.827298810240289 | -7.916027937900834 | -7.829792306592601 | -4.825551559150381 | -4.523425859566687 | -4.576425165871657 | |
| L-Alanine [+F(-)] | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | -8.38454407583409 | -8.438485279488663 | -8.444399107790382 | -8.563857762483917 | -8.48990852243009 | -8.51213403719786 | -8.441931457455809 | -8.279596403317367 | -8.215184081554462 | -8.679193025118945 | -8.643910476084002 | -8.61982229297385 | -6.2101220792341865 | -6.011569836071832 | -5.966173061596231 | |
| Glycerone [+F(-)] | -6.549247077712243 | -6.448931998525764 | -6.601999245064953 | -6.7137352001541615 | -6.52823774219762 | -6.5503006436968985 | -6.775986765463662 | -6.672782862057705 | -6.618278984164743 | -6.835967905085311 | -6.662447245095448 | -6.754576987368793 | -6.877157492334035 | -6.916697731731943 | -6.855064076977673 | -6.84549993130503 | -6.847056232749836 | -6.817547090092781 | -6.787592907976107 | -6.753252207999856 | -6.823379235180419 | -6.270989582958935 | -6.189646291479429 | -6.193920451065765 | |
| Uracil [-H(+)] | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | -7.87228658127721 | -7.654153394549689 | -7.676680685919104 | |
| Glycerol [+F(-)] | -3.916440965825486 | -3.8950312552738455 | -3.87076012277872 | -3.8262502314598423 | -3.843533353471932 | -4.005880820883005 | -3.9845850819733286 | -4.381249309398811 | -4.240809120470911 | -4.267456695725022 | -4.243719106182429 | -4.19461318678551 | -4.187783404055701 | -4.166149187780748 | -4.187758564205858 | -4.629102423553187 | -4.642989844271071 | -4.6233907803066 | -4.099179888515294 | -4.062715550139586 | -3.9941723724164806 | -4.083622395434879 | -4.036914759089383 | -4.1177598557320385 | |
| L-Proline [-H(+)] | -3.6072589180688146 | -3.5810307719439756 | -3.5759971944691333 | -3.18319526985041 | -3.1547743930622616 | -3.1387720618994908 | -3.204716370040528 | -3.218476630605703 | -3.166195490622551 | -3.5450617726058358 | -3.533360944365493 | -3.540544809201951 | -3.5697075815085606 | -3.5718681452153596 | -3.580711512390204 | -3.5849436411030062 | -3.560639914292117 | -3.558998216555066 | -3.562981619987421 | -3.4968275141298246 | -3.5440903874826883 | -3.0768754146296855 | -3.079399715891173 | -3.0817964847812207 | |
| L-Valine [-H(+)] | 0 | 0 | 0 | -7.4247456960260765 | -7.6757136739725915 | -7.545105729191573 | -7.375905535147194 | -7.675282710968546 | -7.532486092679752 | -6.8960435379809635 | -6.873965638154754 | -6.922533512591453 | -7.009126870068703 | -7.189567906450708 | -7.105127696611598 | -7.128807891510769 | -7.126606518051008 | -7.049523821675997 | -7.667243249879096 | -7.461654052745722 | -7.486682728802943 | -7.697020744882674 | -7.667719306980068 | -7.838897663450634 | |
| Orthophosphate [+F(-)] | -6.463334509093501 | -6.585347400349434 | -6.502673153616127 | -5.562913637790649 | -5.59151068205668 | -5.603253368303023 | -5.57938592485581 | -5.623686059689906 | -5.673887308425396 | -6.3090875661949415 | -6.286522880112139 | -6.334517333585605 | -6.253408851847619 | -6.227203525666767 | -6.223952136566936 | -6.299277622185656 | -6.276274036076918 | -6.292451124508396 | -6.246584088794792 | -6.227523912430366 | -6.2083936366735815 | -6.332173570080555 | -6.3266774997942 | -6.3337187999200575 | |
| L-Threonine [-H(+)] | -12.078004456286752 | -12.316078830920514 | -12.353267263108055 | 0 | 0 | 0 | 0 | 0 | 0 | -11.508998275791246 | -11.036182977143003 | -11.308547865698554 | -11.381769676559458 | -11.416528820252347 | -11.676492633779645 | -11.54871504098632 | -11.405845656632616 | -11.261815104290562 | -11.550907603487229 | -11.401386621801812 | -11.580773963776643 | 0 | 0 | 0 | |
| L-Cysteine [-H(+)] | -7.1045955925942845 | -6.863438609179948 | -7.0788789080621495 | -5.500161614850947 | -5.72416732615132 | -5.887371777427834 | -5.692553812006393 | -6.20210154311599 | -6.155048798437491 | -8.268913788376683 | -8.28769858615907 | -8.221837434382973 | -8.273807826699525 | -8.159520922523889 | -8.248551520088785 | -8.055872137166212 | -7.930519345045013 | -8.069955032123184 | -8.460261675284983 | -8.441966716918802 | -8.300458738170237 | -5.104353895432754 | -4.847554522537211 | -5.117175793870555 | |
| Nicotinate [-H(+)] | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | -8.062565743139523 | -8.277650138547685 | -8.215051216335034 | -8.114116204586537 | -7.969600330008416 | -8.115053094102688 | -7.676401091721967 | -7.49626126155858 | -7.677180331682484 | -7.929054388115901 | -7.824405478541088 | -7.734014003929323 | -3.4608846457919507 | -3.1266172013684135 | -3.406049134313295 | |
| L-Serine [+F(-)] | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | -7.371780362591485 | -7.340402292160142 | -7.337576169115843 | -7.385333749678891 | -7.364768468969668 | -7.407623264365167 | -7.393676516963508 | -7.4753297598421025 | -7.456194049468696 | -7.64260196329446 | -7.5860857748694315 | -7.6056384979851845 | 0 | 0 | 0 | |
| Thymine [-H(+)] | -1.200066579040036 | -1.1817442399816098 | -1.2034098149413808 | -1.2511327086721598 | -1.1884438389166878 | -1.190868360324418 | -1.2202150729951888 | -1.1850347861993353 | -1.1698390163559056 | -1.0909529445267094 | -1.1281654368676417 | -1.1045254349839884 | -1.0910460716497004 | -1.086276029158945 | -1.0873836938146326 | -1.056072749751162 | -1.0224155500749386 | -1.026213437414809 | -1.054648433709526 | -1.0837327801404464 | -1.0602590348283483 | -1.0924347268340113 | -1.0819606283109067 | -1.084658431234237 | |
| L-Leucine [-H(+)] | -6.761241323483517 | -6.870501779766852 | -6.898312898078091 | -5.6061260627230665 | -5.5036871139110985 | -5.482646942081388 | -5.603181619614528 | -5.507941851025786 | -5.5031709227055154 | -6.408802075816709 | -6.38792729773735 | -6.39520983840451 | -6.329310536615919 | -6.370407076339875 | -6.299517622814529 | -6.367520258354224 | -6.385081665645955 | -6.330621068759607 | -6.648413978861544 | -6.602802400742231 | -6.628735448787548 | -6.592722574745235 | -6.566705633648321 | -6.524759722681446 | |
| L-Asparagine [-H(+)] | -3.1422886834547468 | -3.1833101441548095 | -3.1499317116217513 | -3.2828380606569985 | -3.2138598563625944 | -3.2153361493097528 | -3.1694663661505516 | -2.9066604140766286 | -3.0879500335773136 | -3.949242927839983 | -3.9724835857120393 | -3.966141907372907 | -4.146435378324958 | -4.150947725190408 | -4.165225771422941 | -4.301310701450639 | -4.247418760565031 | -4.256072061815508 | -4.441662981485146 | -4.397122988543868 | -4.397504304803287 | -2.7582530803627603 | -2.7409616491542805 | -2.620347569839132 | |
| L-Ornithine [-H(+)] | -4.564778918092855 | -4.619422749629426 | -4.463174608942806 | -3.8076865046649955 | -4.237140334754452 | -4.035137249374263 | -4.100114615745735 | -4.441702175494282 | -4.3486277555129185 | -4.624781865303855 | -4.543676907956504 | -4.5337404797142575 | -4.540917809244486 | -4.511805212133987 | -4.550975626688615 | -4.844098492719327 | -4.964384528698062 | -4.9372478719435495 | -4.7260094094937495 | -4.6771534798771714 | -4.675713761141743 | -5.380900604328467 | -5.399364736536458 | -5.408032609173165 | |
| L-Aspartate [-H(+)] | -8.942247849806622 | -9.070013444443113 | -8.895353609964527 | -7.122261821005452 | -7.136385990157766 | -7.287449241602783 | -7.206290857964332 | -7.515407811618494 | -7.446747920816508 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | |
| L-Homocysteine [-H(+)] | -3.455782388086403 | -3.4401971206167024 | -3.4667419152501706 | -3.947191938090315 | -3.939164303848439 | -3.997992818483996 | -3.978368468734372 | -4.0023311372490005 | -4.007418631771698 | -5.588755217752176 | -5.5984597342832005 | -5.550762171712503 | -3.9957960095934926 | -4.004401119256717 | -3.9344105091845876 | -4.0163396156688 | -4.015746270310439 | -4.081010001721866 | -5.714192270855701 | -5.748849238200808 | -5.737179553146756 | -4.041814624807788 | -4.091581774628835 | -4.064575145953302 | |
| Adenine [-H(+)] | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | -8.035823096395582 | -8.033178645624178 | -8.135907986586322 | -7.765592939528463 | -7.746741592701591 | -7.71823939755328 | -7.783013679281762 | -7.690185239823621 | -7.785945561935179 | -8.303629500665437 | -8.345203722415995 | -8.308163860260253 | 0 | 0 | 0 | |
| L-Proline [+F(-)] | 0 | 0 | 0 | -8.937222233494492 | -8.368063808001114 | -8.37206037416185 | -8.868869833749258 | -8.296412610237322 | -8.414729053736364 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | -8.317178523344404 | -8.156000887608984 | -8.185932131105208 | |
| L-Valine [+F(-)] | 0 | 0 | 0 | -6.684028277877506 | -6.20491664839861 | -6.129499394848438 | -6.517930348560249 | -6.260616283315738 | -6.25874196578452 | -8.749380607061825 | -8.793359573529694 | -8.820276996419718 | -8.770565391390667 | -8.742743982882425 | -8.766144099531473 | -8.635078641714125 | -8.567562026889043 | -8.568596883596427 | -8.946904844885658 | -8.891984001447604 | -8.94729655930961 | -5.768302007954923 | -5.607410766567995 | -5.630552362240859 | |
| L-Threonine [+F(-)] | -8.813763702935939 | -8.736808139494947 | -8.779559117715188 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | |
| Acetyl phosphate [-H(+)] | 0 | 0 | 0 | -9.199589027392669 | -9.226434390444215 | -9.492970149261522 | -9.275880485289623 | -9.539557241768668 | -9.600406826788618 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | -9.049653463817563 | -9.232463200601957 | -9.337198219966643 | |
| Carbamoyl phosphate [-H(+)] | 0 | 0 | 0 | -6.988630342864774 | -6.713565815704789 | -6.720029480402473 | -6.918992127778356 | -6.755420725785168 | -6.756198945513431 | -8.912604543382198 | -8.868920633408369 | -8.898969969303012 | -8.779074459398984 | -8.824819591291124 | -8.79129418096076 | -8.776341701419359 | -8.729262258939174 | -8.770575483832472 | -9.081659058643217 | -9.104659654245385 | -9.02328971880115 | -6.743416768491052 | -6.608836905045973 | -6.592016732664922 | |
| Thymine [+F(-)] | -5.186234916180486 | -5.266185186104787 | -5.145670341164413 | -4.3515552698301185 | -4.099861695970622 | -4.103085874917335 | -4.0766252065458435 | -3.799517704245167 | -3.856805982571884 | -4.564884482248691 | -4.375128897482808 | -4.481429827964744 | -4.59641162314367 | -4.6017077919189 | -4.611174282235595 | -4.713463759609848 | -4.778624720194191 | -4.650865594172728 | -4.583074261493751 | -4.606102870740621 | -4.555318426395733 | -5.036473787842616 | -4.9696702138555455 | -4.908231781056072 | |
| L-Glutamine [-H(+)] | -2.186222568486645 | -2.334190222157626 | -2.2442858902408895 | -1.8242090642750046 | -1.7420013412191542 | -1.777645238644889 | -1.6567072344756832 | -1.2369496303823029 | -1.5193280433078533 | -3.140821383017252 | -3.1777294508845504 | -3.186330584454807 | -3.2477795409701185 | -3.245207089748961 | -3.217624065646441 | -3.3235687461602517 | -3.350147698381409 | -3.3352162379339214 | -3.3239045093665958 | -3.2839249951159735 | -3.3051312679681573 | -1.7455442884343493 | -1.73114308263256 | -1.6551040299205706 | |
| L-Lysine [-H(+)] | -3.0086598117918255 | -3.0721683915018083 | -2.98922372990101 | -2.7289302772706288 | -3.097745558374066 | -2.936241239877283 | -2.9807471083955144 | -3.2065205946043327 | -3.096070638272342 | -3.1798287888937073 | -3.169399437071931 | -3.1062370129887835 | -3.1268105575268335 | -3.0494285574719537 | -3.1244089713652867 | -3.3886719245909216 | -3.428778137971608 | -3.4565824518971273 | -3.166450851033435 | -3.1704417579307522 | -3.179477484852203 | -4.008434861023264 | -4.017406236627535 | -3.9578242500231315 | |
| L-Glutamate [-H(+)] | -6.167630503952175 | -6.184280870529488 | -6.147053425458051 | -5.311412762939971 | -5.354434131689889 | -5.387432392415841 | -5.351520614191581 | -5.461070186465723 | -5.430923328536096 | -5.896948976863953 | -5.860096289036713 | -5.859989439499232 | -6.026172418844086 | -6.074952162638574 | -6.046616466120625 | -6.091441537212939 | -6.048414720796877 | -6.072845526902638 | -5.919721858247637 | -5.888552031790355 | -5.865513936803981 | -5.558974757098884 | -5.477423995200064 | -5.5734410432198365 | |
| L-Methionine [-H(+)] | -7.143079651415542 | -7.1944667417695545 | -7.119760473796367 | -5.03367711207922 | -5.487036377126577 | -5.566504392067741 | -5.296994107657653 | -6.372880850357659 | -6.244114620189253 | -6.987050621295636 | -7.013876740267805 | -6.942472048391325 | -6.684312309465418 | -6.60070255952067 | -6.6417810648576445 | -6.540516922804597 | -6.441874254438884 | -6.6328010594007205 | -7.271428136778917 | -7.229936014924384 | -7.211185299101427 | -4.365380451689969 | -4.148947178815789 | -4.660531354825392 | |
| D-Ribose [-H(+)] | -8.241619919888436 | -8.239401819201907 | -8.324858226322881 | -7.624261040782376 | -7.662714314671965 | -7.741787460600399 | -7.74582206382158 | -7.769803471331418 | -7.837298474809877 | -9.028902873226176 | -9.144343922967003 | -9.141411973551884 | -8.873000369169034 | -8.843295991731921 | -8.789875679532535 | -8.883688212288519 | -8.809451487345964 | -8.734323697039677 | -9.04326207564062 | -9.00145891157128 | -9.023754864164088 | -8.539447423469648 | -8.573833078456824 | -8.626919940807289 | |
| Guanine [-H(+)] | 0 | 0 | 0 | -6.210070900054706 | -5.703358654337146 | -5.631232282087406 | -6.106342807003122 | -5.689488007913214 | -5.704782207514659 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | -5.993137762093058 | -5.832504841854661 | -5.874543301916291 | |
| L-Asparagine [+F(-)] | 0 | 0 | 0 | -4.752680741965348 | -4.326872173599681 | -4.128329162605857 | -4.503205138965058 | -4.002852042851992 | -4.040321041556858 | -6.108266356033804 | -6.206459091222912 | -6.06025332706411 | -6.273362638133396 | -6.175015880704715 | -6.094397530166776 | -6.118659716963203 | -6.283492550953943 | -6.281310462124013 | -6.619597270889567 | -6.65021922502161 | -6.583118744966131 | -4.640962836774615 | -4.610185266761996 | -4.5883245280141365 | |
| L-Ornithine [+F(-)] | 0 | 0 | 0 | -6.889613158429363 | -6.8824890362213935 | -6.9301516477620035 | -6.958676471423775 | -7.150799499515015 | -7.189444973860999 | -7.829022549487986 | -7.795125138152192 | -7.798417644127974 | -7.736613335600265 | -7.765973664257741 | -7.715500139356477 | -7.653341625408872 | -7.776646397535986 | -7.714568108240622 | -8.071245659044592 | -7.964154097303159 | -8.039562558180476 | -6.098113820992492 | -5.970794118863199 | -6.172980572339666 | |
| L-Aspartate [+F(-)] | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | -9.962126265839132 | -9.904412580720155 | -10.060006206554444 | |
| L-Homocysteine [+F(-)] | 0 | 0 | 0 | -5.452497808418785 | -5.4270573228948225 | -5.332446610829687 | -5.404255920137622 | -5.477561766394171 | -5.447677998807569 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | -5.437196462326506 | -5.21983332341352 | -5.557940579655181 | |
| Adenine [+F(-)] | -4.233855356049882 | -4.423730610971828 | -4.265771826799762 | -3.4014286167917014 | -3.3922597643073336 | -3.3316191567341655 | -3.1340971403676123 | -3.169664680946889 | -3.2379996323182936 | -4.497687662439935 | -4.435015142784058 | -4.42418305841149 | -4.557216722036279 | -4.529487968556335 | -4.536341715618544 | -4.6948842011987075 | -4.645051602502729 | -4.703800290099375 | -4.549538893077871 | -4.55833811196907 | -4.493675473118513 | -4.566992605227961 | -4.593571992860691 | -4.578761182605896 | |
| L-Histidine [-H(+)] | 0 | 0 | 0 | -6.410410434221653 | -8.005821287810912 | -8.287187094091447 | -6.42844472714639 | -8.027738120263056 | -8.317565771184098 | -8.475365013142117 | -8.599429697228983 | -8.42688837653582 | -8.97073147471453 | -8.822188529356772 | -8.843314076477421 | -8.784433829599879 | -8.729113952949227 | -8.771301861018953 | -9.469873974532188 | -9.27251345300116 | -9.42386211261161 | -8.647419214846517 | -8.556468800940939 | -8.791158445825985 | |
| Carbamoyl phosphate [+F(-)] | -1.9829755298811724 | -2.035015509346674 | -2.032654509494734 | -2.010852724155735 | -2.031396614956677 | -2.1022726913331296 | -1.950197767336993 | -1.9319572077209033 | -1.986194657758865 | -2.057563100990322 | -2.059269471750096 | -2.0595655822016443 | -2.0357922915259126 | -2.053134618350088 | -2.0448639801964665 | -2.10180249795164 | -2.105544269233863 | -2.091289728227041 | -2.150259919520091 | -2.1288336493951707 | -2.155730826508398 | -2.304101053944226 | -2.3447380837112823 | -2.3289075742071765 | |
| L-Phenylalanine [-H(+)] | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | -5.581335284215385 | -5.523132746737963 | -5.670319636005603 | |
| L-Glutamine [+F(-)] | 0 | 0 | 0 | -4.845719238761684 | -4.330079959953254 | -4.1539685771638055 | -4.546135953149784 | -3.91193028709605 | -4.013074808056987 | -6.032737503818437 | -6.002739903417332 | -5.908165505866544 | -6.077534176249033 | -6.047297652786306 | -5.939010125555052 | -6.055033917092361 | -6.069670602965591 | -6.024730038636199 | -6.432516001966205 | -6.355699518977067 | -6.4150735111650805 | -4.480295462778462 | -4.456644340884028 | -4.362341440038154 | |
| L-Lysine [+F(-)] | -6.8269229261561435 | -6.719036594650444 | -6.7766321250090344 | -6.004769639783003 | -5.958725464332677 | -6.085807105710961 | -5.94987324125014 | -6.165609070426061 | -6.144251102985938 | -9.092667693314734 | -9.028732774322435 | -9.09963860718545 | -9.054036505840852 | -9.026563426254517 | -8.964034634823046 | -9.046677077056735 | -8.726486742692828 | -8.857454477071407 | -9.314955287073076 | -9.167544449903628 | -9.194681093261037 | -5.5945286344740826 | -5.522808475319653 | -5.7674646940999645 | |
| Pyridoxal [-H(+)] | 0 | 0 | 0 | -8.422204756710077 | -8.072763089973929 | -8.065304335321343 | -8.392312996814397 | -8.095201326698408 | -8.119218660308015 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | |
| L-Methionine [+F(-)] | -9.40132766027276 | -9.170974103201857 | -9.24079684263332 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | |
| Glycerone phosphate [-H(+)] | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | -8.202576576224459 | -7.952787019357634 | -7.927431084732348 | |
| D-Ribose [+F(-)] | 0 | 0 | 0 | -6.757700684687668 | -6.810004764023791 | -6.836235700766727 | -6.831553587432978 | -7.004068511308587 | -6.882204557435488 | -7.7006025422103175 | -7.959126890071067 | -7.8651253854981 | -7.8761518166720625 | -7.936266639428855 | -7.939038364803493 | -7.480290929573414 | -7.4633938172568595 | -7.394834618152849 | -7.703031190069758 | -7.653425152791639 | -7.575462942818701 | -7.320162008095744 | -7.236695798956877 | -7.283879614267097 | |
| Guanine [+F(-)] | -7.196907511520528 | -7.06779596731162 | -6.983149650400195 | -6.281553245138427 | -6.560262979546428 | -6.696076670092553 | -6.493932068480989 | -6.6037758232005475 | -6.696790561728133 | -6.339223380740851 | -6.235372827540516 | -6.312508085110537 | -6.9980789387300595 | -6.979810189358509 | -7.070489632205309 | -6.770861856299826 | -6.922318740784627 | -6.876329841172347 | -6.935546348355002 | -6.908168966333749 | -7.086151644769739 | -7.262003133863182 | -7.321514062590227 | -7.288619498845516 | |
| sn-Glycerol 3-phosphate [-H(+)] | -1.600257857797665 | -1.6960147403065422 | -1.6176233622692715 | -1.352439863756953 | -1.272324693764534 | -1.3048049691523775 | -1.2330834263603325 | -0.9892932094462301 | -1.1670897917665086 | -2.879591995819058 | -2.8977555871179645 | -2.9187077840040114 | -3.1119138007164686 | -3.0866161244543378 | -3.094687245673508 | -3.219120369967058 | -3.1716939810167912 | -3.1893052203465735 | -3.3345287086797724 | -3.258102975419909 | -3.2912655889450457 | -1.584193843580048 | -1.5481285551436117 | -1.4539916154845818 | |
| L-Arginine [-H(+)] | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | -7.7145706043808016 | -7.587504270145127 | -7.516410859103333 | |
| L-Histidine [+F(-)] | -9.791695936347452 | -9.612492519405833 | -9.789236054221558 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | -7.794308238147332 | -7.705620765164084 | -7.687161153026266 | |
| L-Citrulline [-H(+)] | 0 | 0 | 0 | -7.673607788851695 | -7.775514646534548 | -7.757784932555019 | -7.8379752447433635 | -7.962224136325673 | -7.8822337511269485 | -8.444802374306931 | -8.538399438467803 | -8.586318322403546 | -9.033535644276746 | -8.98050987030888 | -9.05572868524349 | -9.038567161109075 | -8.888951892013992 | -9.100841203609106 | -9.752648566595184 | -9.723737785970645 | -9.766162542116838 | -8.479533999317963 | -8.538241719781466 | -8.470082396496784 | |
| Ascorbate [-H(+)] | -0.3493279232965336 | -0.11988311847034361 | -0.423939032130877 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | |
| Diphosphate [-H(+)] | -4.09023510096274 | -4.149117354603382 | -4.103039430280049 | -2.1964884136956058 | -2.404705657147871 | -2.3707484990903587 | -2.2689657192051538 | -2.4911446146246674 | -2.4656093267783 | -2.8133085418313755 | -2.727676433039923 | -2.697397108338638 | -2.9843450715876507 | -2.9287355048246493 | -2.9621814197296334 | -3.0874886792026714 | -3.1533507541428243 | -3.0274937793783323 | -3.490387848589796 | -3.3933347259985167 | -3.3783932166170203 | -2.9587815147373986 | -3.0006060519147475 | -3.096681279204829 | |
| D-Glucose [-H(+)] | -3.196541274083026 | -3.345011461990021 | -3.2808422115196656 | -3.497768765865648 | -3.59592265378671 | -3.5691437048510277 | -3.561534485469992 | -3.506311031562751 | -3.5361759070623364 | -3.6734223763273763 | -3.5832051401001737 | -3.6059618522003163 | -3.6854693493132196 | -3.7078832978313927 | -3.686646112584335 | -3.6954656772678103 | -3.7113537247431547 | -3.75134410073754 | -3.778850425309451 | -3.7547190161125283 | -3.78834481058058 | -3.7255326305198384 | -3.752600551036485 | -3.7084023281680825 | |
| L-Tyrosine [-H(+)] | -6.2047637517129735 | -6.0975657798526175 | -6.191060873536335 | -5.734888984927373 | -5.660819012295574 | -5.6842396207652905 | -5.738618738374353 | -5.564819648708498 | -5.661725577338386 | -6.499990726361311 | -6.483526419493808 | -6.475860558599343 | -6.583965246576988 | -6.552019968717755 | -6.558073025550762 | -6.666491541707229 | -6.623333105459887 | -6.631349595049105 | -6.757786107124254 | -6.732818810661187 | -6.772025192126895 | -6.113142420806445 | -6.098469623707639 | -6.077118248489134 | |
| Mannitol [-H(+)] | -9.121471224441997 | -8.99741083531401 | -9.158680594725036 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | -7.997418667661585 | -7.81133858464545 | -7.724831916552592 | |
| Choline phosphate [-H(+)] | 0 | 0 | 0 | -5.696248239461064 | -5.192154974554066 | -5.153031749349935 | -5.532679303910733 | -4.821843703056839 | -4.787923082826897 | -7.842259903270981 | -7.767058269371336 | -7.847589200464853 | -7.75916022786005 | -7.811494243943681 | -7.750659849697824 | -7.7987382253540165 | -7.813439328159292 | -7.760696570868667 | -8.09177879599488 | -8.055643602303133 | -8.076164172763033 | -6.050995707313099 | -6.113592666628056 | -6.067496610006642 | |
| L-Phenylalanine [+F(-)] | -7.667540961752124 | -7.710086114325123 | -7.8863058650012015 | -6.5384710993658945 | -6.748066572174567 | -6.559757284707692 | -6.684314130951693 | -7.283756096679999 | -7.088722829316039 | -7.988303035518321 | -8.281006927579229 | -8.16360176585082 | -8.275594678661705 | -8.185345066261203 | -8.17347804056056 | -8.68350688089128 | -8.550207911541605 | -8.281248618268839 | -8.662219080898533 | -8.715959714496208 | -8.629524214777248 | -6.996424470781976 | -6.973364313575958 | -7.085017735902844 | |
| 3-Phospho-D-glycerate [-H(+)] | 0 | 0 | 0 | -7.158873164964177 | -6.943396904758598 | -6.891862822542191 | -7.118775731472679 | -6.935277937350895 | -6.949080202217505 | -8.212325735341313 | -8.302507724886533 | -8.229300801215373 | -8.346599055597755 | -8.199377691669456 | -8.26796172192007 | -8.307958032847322 | -8.240231489861268 | -8.3359644886065 | -8.553536334550218 | -8.464122831721735 | -8.50751904592951 | -7.385990835486851 | -7.315442673665654 | -7.341860364500562 | |
| Pyridoxal [+F(-)] | 0 | 0 | 0 | -7.8825865056032 | -7.6125707944159995 | -7.610224177396658 | -7.904034702165257 | -7.549414322772558 | -7.684295876279772 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | -5.7838917588744065 | -5.7355798649517356 | -5.907849759591215 | |
| L-Arginine [+F(-)] | 0 | 0 | 0 | -6.873392384330744 | -6.325409435941613 | -6.25443608069398 | -6.647279433131695 | -6.092221037679964 | -6.102597302241741 | -8.89222232257023 | -8.882509085378782 | -8.820419676912948 | -8.875825014204466 | -8.777415233008412 | -8.856843660516532 | -8.951102112598825 | -8.850078932427124 | -8.80363121206697 | -9.210185906239236 | -9.099232412559854 | -9.147830632509962 | -6.979797555643073 | -6.988770540929036 | -6.840957100507147 | |
| L-Citrulline [+F(-)] | 0 | 0 | 0 | -7.628110654067493 | -7.788035577593369 | -7.8207440887666335 | -7.746690376827825 | -8.043897337207035 | -7.977127412322882 | -8.779186656556586 | -8.643449105925004 | -8.707439935188686 | -9.14294454427525 | -8.872799163027217 | -8.985976125327129 | -9.075287553363854 | -8.97888247735402 | -8.989753703703226 | -9.640825555413109 | -9.548518388967452 | -9.495988147720286 | -8.677917332281021 | -8.585253215640568 | -8.657337506905687 | |
| Ascorbate [+F(-)] | -7.778209453864146 | -7.525849090347891 | -7.7191893593885315 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | |
| D-Erythrose 4-phosphate [-H(+)] | 0 | 0 | 0 | -6.137560288868956 | -5.60367916984848 | -5.559872682474194 | -6.11308054456979 | -5.723335984572618 | -5.69298374832122 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | -6.6468403542768195 | -6.209620351695582 | -5.851771273005473 | |
| D-Glucose [+F(-)] | 0 | 0 | 0 | -6.92538400845039 | -6.684689076127144 | -6.721977736860517 | -6.916357826426118 | -6.602141912522866 | -6.7163675458568015 | -7.654688655845099 | -7.569685294603612 | -7.593282892203302 | -7.733406323650061 | -7.691235636724027 | -7.744884161962989 | -7.656189309705348 | -7.719785322175728 | -7.764968237462492 | -7.99030528738274 | -7.938295246554796 | -8.027184624303812 | -7.267154953168097 | -7.21849081404128 | -7.204643880369403 | |
| L-Tyrosine [+F(-)] | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | -8.436486211796144 | -8.500800884003578 | -8.545674385115689 | -8.510557325641475 | -8.490899418209686 | -8.467158669352472 | -8.449720168213807 | -8.451640487159974 | -8.547032305487583 | -8.929890952409696 | -8.861455192429695 | -8.831288891114019 | -7.21503974091959 | -7.152505904098716 | -7.124011214151178 | |
| Mannitol [+F(-)] | 0 | 0 | 0 | -4.340147008654491 | -4.09552672152396 | -4.074956897145969 | -4.077981971750111 | -3.886306821071062 | -3.9013990005517694 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | -5.266270712020197 | -5.17053631275229 | -5.2175435893446656 | |
| Choline phosphate [+F(-)] | -3.7035645669580775 | -3.8241447391751437 | -3.7438182203435244 | -3.630138259511104 | -3.707431590730229 | -3.744430059659368 | -3.626274936573583 | -3.490153362490177 | -3.5786305604278024 | -4.1125418277490375 | -4.096662356144627 | -4.133337623520207 | -4.230917684184907 | -4.184430350348913 | -4.212934321574475 | -4.24085808152198 | -4.223513138249633 | -4.256770253496109 | -4.327970108101582 | -4.261998397522385 | -4.331364335020693 | -4.275184868215918 | -4.315134365524832 | -4.302483043287711 | |
| L-Tryptophan [-H(+)] | -8.935009740033422 | -8.797697012384333 | -8.863763006830759 | -7.90317126017597 | -7.823796190468768 | -7.824967989963263 | -7.916631737559693 | -7.800481147838122 | -7.826596309141833 | -9.277704816392658 | -9.350949060716108 | -9.26856931050472 | -9.38885002523444 | -9.318850207552199 | -9.328129113988844 | -9.11298775528515 | -9.246118042762344 | -9.352626755130377 | -9.68062736605535 | -9.569219490247093 | -9.624587659741556 | -8.68894730343745 | -8.633848875727374 | -8.734430636769508 | |
| Lipoamide [-H(+)] | -8.802597582280235 | -8.830743756604722 | -8.78098244199581 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | -8.27660825502532 | -8.321983484474075 | -8.30066086536778 | |
| Dihydrolipoamide [-H(+)] | -9.735276655771134 | -9.80815149981015 | -9.754862780396039 | -8.053575555459942 | -8.164817160992165 | -8.175559257330473 | -8.188878329217733 | -8.24260766105552 | -8.17902456441831 | -9.621752488165875 | -9.462914798805505 | -9.611396557957939 | -9.621794239678131 | -9.557861242447547 | -9.618391291730461 | -9.810805742027533 | -9.743003088589202 | -9.714799151540708 | -9.629937956084472 | -9.64479333928369 | -9.780575343392552 | -9.488609561158311 | -9.496897321316185 | -9.539687856142269 | |
| 2-Deoxy-D-ribose 1-phosphate [-H(+)] | 0 | 0 | 0 | -7.1049849034492905 | -7.007515075647799 | -6.8533632011677 | -6.923766303961103 | -6.572952692245485 | -6.730749485583409 | -9.156726418759693 | -9.070131425820875 | -9.149916598532343 | -9.07237155481739 | -8.98159193928134 | -9.101825103299298 | -9.124891241435574 | -8.971289468329925 | -9.10637878763591 | -9.323341724104313 | -9.370202385494428 | -9.294418871308185 | 0 | 0 | 0 | |
| L-Tryptophan [+F(-)] | 0 | 0 | 0 | -7.688480197172639 | -7.537159520167698 | -7.60341250373144 | -7.696619517034412 | -7.639232782342082 | -7.65753550865289 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | -7.466558693251944 | -7.045000227013752 | -7.258568145824668 | |
| Lipoamide [+F(-)] | 0 | 0 | 0 | -7.293073042231052 | -7.142445308500841 | -7.171652929472732 | -7.295274079574817 | -7.185884703032637 | -7.181022335794182 | -8.66322055796153 | -8.714989658290696 | -8.73408620057706 | -8.736900008883874 | -8.615597488916366 | -8.724726444709763 | -8.598614705954057 | -8.373896094711085 | -8.518292161933415 | -8.800577743672392 | -8.872164333568522 | -8.807102678453376 | -7.721159959130429 | -7.635719789519538 | -7.665742719817141 | |
| Dihydrolipoamide [+F(-)] | 0 | 0 | 0 | -7.175784517204704 | -6.99513760049781 | -6.954263423889938 | -7.044721612418819 | -6.788457914736089 | -6.8819985530416705 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | |
| Deoxycytidine [-H(+)] | -8.782768744558862 | -8.639856628909516 | -8.814969524960794 | -6.748936049799735 | -6.68407830624219 | -6.675314946359299 | -6.748936049799735 | -6.68407830624219 | -6.714336645456721 | -8.162616423081982 | -8.104345250265386 | -8.14949038062706 | -8.261424636225554 | -8.195621522921863 | -8.233779807184256 | -8.273183804581329 | -8.327081398346913 | -8.25418965482556 | -8.521648241232487 | -8.518433671720999 | -8.476950238237908 | 0 | 0 | 0 | |
| Deoxyuridine [-H(+)] | -7.231015688384458 | -7.204689236634753 | -7.065399507629513 | -7.056525971358288 | -7.089881222818503 | -7.106723209388083 | -7.252945712598571 | -7.238013753833162 | -7.319213045004391 | -6.384271416444518 | -6.3332416027886325 | -6.418965638362561 | -7.828866606274974 | -7.707861792566448 | -7.647649513932169 | -7.464420382502408 | -7.53776995019232 | -7.640443213962843 | -6.660593784653745 | -6.742372031793781 | -6.6561750714254035 | -7.542767153943504 | -7.62277481502076 | -7.64128453346642 | |
| D-Ribose 5-phosphate [-H(+)] | 0 | 0 | 0 | -4.142304922518978 | -4.129186597143695 | -4.200580862283682 | -4.107788568561293 | -3.977496103826664 | -4.027975826794087 | -5.003504466085388 | -4.94465053482725 | -4.887636907569254 | -4.846491972220256 | -4.77343259150186 | -4.820040980815756 | -4.801721137064319 | -4.850896092496962 | -4.840940321843366 | -5.030204586444642 | -5.083594585515419 | -4.97323205570363 | 0 | 0 | 0 | |
| Thymidine [-H(+)] | -6.238260198607948 | -6.328437488176069 | -6.180863125266706 | -6.023862126994448 | -6.041840066611634 | -6.023441656069016 | -6.0445991208087335 | -5.9601731147414885 | -5.969553539638369 | -5.9861861489411154 | -5.913538809466534 | -5.977957056032157 | -5.763641082457288 | -5.72885304726958 | -5.772520643715302 | -5.681775057840854 | -5.71366595770548 | -5.641450497951018 | -6.329286582036286 | -6.342928954275779 | -6.383157379722686 | -5.785992011748126 | -5.776204164125204 | -5.848635650936372 | |
| Cytidine [-H(+)] | -5.21740379203299 | -5.221913052650581 | -5.158620641510281 | -5.201205134536563 | -5.183120283603904 | -5.220770867198192 | -5.192848810530849 | -5.086958901965314 | -5.0980941986905925 | -5.405869273565634 | -5.339417373720593 | -5.384136368443165 | -5.320719473459217 | -5.2670773585772865 | -5.292204990824878 | -5.277119390517711 | -5.183206788428924 | -5.244895735926911 | -5.742936845553375 | -5.74618260325939 | -5.797725615987848 | -5.606430565498107 | -5.646374736191476 | -5.672755706195441 | |
| Uridine [-H(+)] | -11.282574561339757 | -11.132839441694887 | -11.399730589093501 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | -8.952784292419159 | -8.833010916538026 | -8.957201287273925 | |
| Pyridoxal phosphate [-H(+)] | 0 | 0 | 0 | -6.675107358542065 | -6.493014478166364 | -6.4160398996367585 | -6.532781575687398 | -6.287049894938442 | -6.3428812567638175 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | -7.195838895958363 | -7.19164032691754 | -7.203586098314082 | |
| Deoxycytidine [+F(-)] | 0 | 0 | 0 | -3.712610083351897 | -4.42044640462899 | -4.451759790986516 | -4.100157728189299 | -6.461655577145255 | -6.124495571601458 | -7.630207404077714 | -8.083096535234574 | -7.899050507605416 | -7.56503386667401 | -7.460514049192014 | -7.565668507776813 | -6.891924513700434 | -6.577581301516835 | -6.702386339081501 | -7.210868655584077 | -7.094528415374773 | -6.987633477947853 | -2.7246322028276775 | -2.7370548437053444 | -3.001437481138572 | |
| Deoxyadenosine [-H(+)] | -7.6460295038865365 | -7.646326385275101 | -7.641443246329798 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | |
| sn-Glycero-3-phosphocholine [-H(+)] | -7.022867662631217 | -6.987245029010908 | -6.837997125250899 | -5.508429911569413 | -5.778877743345009 | -5.641459453740556 | -5.8141647838783355 | -5.975015676330222 | -5.813713376929897 | -6.520286065606231 | -6.534936378731221 | -6.495238393721346 | -6.562123965417895 | -6.4358942187820185 | -6.52468912241884 | -6.855173518532016 | -6.869198266266585 | -6.932123735613407 | -6.858446908319834 | -6.7739112076909755 | -6.796334682434774 | -6.285576387866309 | -6.2549620859224655 | -6.233070956597352 | |
| D-Fructose 6-phosphate [-H(+)] | -7.262205914804042 | -7.00277027131605 | -7.23824886074793 | 0 | 0 | 0 | 0 | 0 | 0 | -7.639902932365287 | -7.692018013279451 | -7.753225551024932 | -7.72480423745741 | -7.809736100545859 | -7.793753100411459 | -7.717587882148253 | -7.622696296643925 | -7.72348261445175 | -8.016636016164519 | -8.008531133821563 | -8.11051605202299 | -5.330217520231282 | -5.194475921892718 | -5.317565098114204 | |
| D-Mannitol 1-phosphate [-H(+)] | 0 | 0 | 0 | -6.049707535548487 | -6.077317522667036 | -6.094691870298981 | -5.991736758051458 | -5.815969776346818 | -5.845496840536441 | -5.552775172343418 | -5.367792746500429 | -5.490427898836091 | -5.3781770552647234 | -5.394582442929787 | -5.3854176074199325 | -5.516183776659279 | -5.552685420431847 | -5.625541289549982 | -5.873658839216754 | -5.840974866332786 | -5.754091468105086 | -6.290503332105142 | -6.343481221632352 | -6.362236375493559 | |
| Thymidine [+F(-)] | 0 | 0 | 0 | -7.020711690018953 | -6.8845307671279965 | -6.798557278760138 | -6.921515608596275 | -6.357756800080358 | -6.538689552067267 | -7.974098559720039 | -8.08440243133375 | -8.004764381530162 | -7.820720765214848 | -7.75474523901041 | -7.778486800481105 | -7.637137010783343 | -7.550744505719543 | -7.629100775370408 | -7.964601244718919 | -7.916588672287396 | -7.905533960556101 | -7.385376448443126 | -7.46817685873213 | -7.513633529499887 |
A
B
C
D
E
F
G
H
I
J
K
L
M
N
O
P
Q
R
S
T
U
V
W
X
Y
Z
AA
AB
AC
AD
AE
AF
AG
AH
AI
AJ
AK
AL
AM
AN
AO
AP
AQ
AR
AS
AT
AU
AV
AW
AX
AY
AZ
BA
BB
BC
BD
BE
BF
BG
BH
BI
BJ
BK
BL
BM
BN
BO
BP
BQ
BR
BS
BT
BU
BV
BW
BX
BY
BZ
CA
CB
CC
CD
CE
CF
CG
CH
CI
CJ
CK
CL
CM
CN
CO
CP
CQ
CR
CS
CT
CU
CV
CW
CX
CY
CZ
DA
DB
DC
DD
DE
DF
DG
DH
DI
DJ
DK
DL
DM
DN
DO
DP
DQ
DR
DS
DT
DU
DV
DW
DX
DY
DZ
EA
EB
EC
ED
EE
EF
EG
EH
EI
EJ
EK
EL
EM
EN
1
2
3
4
5
6
7
8
9
10
11
12
13
14
15
16
17
18
19
20
21
22
23
24
25
26
27
28
29
30
31
32
33
34
35
36
37
38
39
40
41
42
43
44
45
46
47
48
49
50
51
52
53
54
55
56
57
58
59
60
61
62
63
64
65
66
67
68
69
70
71
72
73
74
75
76
77
78
79
80
81
82
83
84
85
86
87
88
89
90
91
92
93
94
95
96
97
98
99
100
| # Log2 of measurement values with minimal information for metabolites and samples used to connect to the model | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Simple_ID | M129_timecourse_6h_3 | M129_timecourse_6h_3 | M129_timecourse_6h_3 | M129_timecourse_24h_3 | M129_timecourse_24h_3 | M129_timecourse_24h_3 | M129_timecourse_48h_3 | M129_timecourse_48h_3 | M129_timecourse_48h_3 | M129_timecourse_96h_3 | M129_timecourse_96h_3 | M129_timecourse_96h_3 | 24h_timecourse_4 | 24h_timecourse_4 | 24h_timecourse_4 | 24h_timecourse_4 | 24h_timecourse_4 | 48h_timecourse_4 | 48h_timecourse_4 | 48h_timecourse_4 | 48h_timecourse_4 | 48h_timecourse_4 | 6h_timecourse_4 | 6h_timecourse_4 | 6h_timecourse_4 | 6h_timecourse_4 | 6h_timecourse_4 | TF173_MPN303_5 | TF173_MPN303_5 | TF178_MPN250_5 | TF178_MPN250_5 | TF178_MPN250_5 | TF187_MPN674_5 | TF187_MPN674_5 | TF187_MPN674_5 | Tn051_MPN051_5 | Tn051_MPN051_5 | Tn051_MPN051_5 | Tn674_N/A_5 | Tn674_N/A_5 | Tn674_N/A_5 | WT_WT_5 | WT_WT_5 | WT_WT_5 | WT_WT_5 | WT_WT_5 | WT_WT_5 | WT_WT_5 | WT_WT_5 | WT_WT_5 | dldh,NoxE_N/A_5 | dldh,NoxE_N/A_5 | dldh,NoxE_N/A_5 | AA_perturbation_6 | AA_perturbation_6 | AA_perturbation_6 | Fe_perturbation_6 | Fe_perturbation_6 | Fe_perturbation_6 | Glu_perturbation_6 | Glu_perturbation_6 | Glu_perturbation_6 | Gly_perturbation_6 | Gly_perturbation_6 | Gly_perturbation_6 | KO51_mutant_6 | KO51_mutant_6 | KO51_mutant_6 | Ox_perturbation_6 | Ox_perturbation_6 | Ox_perturbation_6 | TF173_mutant_6 | TF173_mutant_6 | TF173_mutant_6 | TF183_mutant_6 | TF183_mutant_6 | TF414_mutant_6 | TF414_mutant_6 | TF414_mutant_6 | TF462_mutant_6 | TF462_mutant_6 | TF462_mutant_6 | TF463_mutant_6 | TF463_mutant_6 | TF463_mutant_6 | Tn674_mutant_6 | Tn674_mutant_6 | Tn674_mutant_6 | blank_control_7 | blank_control_7 | blank_control_7 | Gly_ctrl_perturbation_7 | Gly_ctrl_perturbation_7 | Gly_ctrl_perturbation_7 | TF173_mutant_7 | TF173_mutant_7 | TF173_mutant_7 | TF178_mutant_7 | TF178_mutant_7 | TF178_mutant_7 | TF184_mutant_7 | TF184_mutant_7 | TF184_mutant_7 | TF187_mutant_7 | TF187_mutant_7 | TF187_mutant_7 | TF413_mutant_7 | TF413_mutant_7 | TF413_mutant_7 | TF462_mutant_7 | TF462_mutant_7 | TF462_mutant_7 | TF463_mutant_7 | TF463_mutant_7 | TF463_mutant_7 | Tn051_Gly_perturbation_7 | Tn051_Gly_perturbation_7 | Tn051_Gly_perturbation_7 | Tn674_mutant_7 | Tn674_mutant_7 | Tn674_mutant_7 | WT_perturbation_7 | WT_perturbation_7 | WT_perturbation_7 | WT_noGluc_perturbation_7 | WT_noGluc_perturbation_7 | water_control_7 | water_control_7 | water_control_7 | ||||||||||||||
| Group_ID | 3 | 3 | 3 | 3 | 3 | 3 | 3 | 3 | 3 | 3 | 3 | 3 | 4 | 4 | 4 | 4 | 4 | 4 | 4 | 4 | 4 | 4 | 4 | 4 | 4 | 4 | 4 | 5 | 5 | 5 | 5 | 5 | 5 | 5 | 5 | 5 | 5 | 5 | 5 | 5 | 5 | 5 | 5 | 5 | 5 | 5 | 5 | 5 | 5 | 5 | 5 | 5 | 5 | 6 | 6 | 6 | 6 | 6 | 6 | 6 | 6 | 6 | 6 | 6 | 6 | 6 | 6 | 6 | 6 | 6 | 6 | 6 | 6 | 6 | 6 | 6 | 6 | 6 | 6 | 6 | 6 | 6 | 6 | 6 | 6 | 6 | 6 | 6 | 7 | 7 | 7 | 7 | 7 | 7 | 7 | 7 | 7 | 7 | 7 | 7 | 7 | 7 | 7 | 7 | 7 | 7 | 7 | 7 | 7 | 7 | 7 | 7 | 7 | 7 | 7 | 7 | 7 | 7 | 7 | 7 | 7 | 7 | 7 | 7 | 7 | 7 | 7 | 7 | 7 | ||||||||||||||
| Batch | 6 | 6 | 6 | 24 | 24 | 24 | 48 | 48 | 48 | 96 | 96 | 96 | 24 | 24 | 24 | 24 | 24 | 48 | 48 | 48 | 48 | 48 | 6 | 6 | 6 | 6 | 6 | 1 | 1 | 1 | 1 | 1 | 1 | 1 | 1 | 1 | 1 | 1 | 1 | 1 | 1 | 1 | 1 | 1 | 1 | 1 | 1 | 1 | 1 | 1 | 1 | 1 | 1 | 1 | 2 | 3 | 1 | 2 | 3 | 1 | 2 | 3 | 1 | 2 | 3 | 1 | 2 | 3 | 1 | 2 | 3 | 1 | 2 | 3 | 1 | 3 | 1 | 2 | 3 | 1 | 2 | 3 | 1 | 2 | 3 | 1 | 2 | 3 | 1 | 3 | 2 | 2 | 1 | 3 | 2 | 4 | 3 | 3 | 2 | 1 | 1 | 2 | 3 | 3 | 1 | 2 | 2 | 3 | 1 | 1 | 3 | 2 | 4 | 1 | 3 | 1 | 2 | 3 | 3 | 2 | 1 | 3 | 1 | 2 | 2 | 1 | 2 | 1 | 3 | ||||||||||||||
| timecourse | timecourse | timecourse | timecourse | timecourse | timecourse | timecourse | timecourse | timecourse | timecourse | timecourse | timecourse | timecourse | timecourse | timecourse | timecourse | timecourse | timecourse | timecourse | timecourse | timecourse | timecourse | timecourse | timecourse | timecourse | timecourse | timecourse | MPN303 | MPN303 | MPN250 | MPN250 | MPN250 | MPN674 | MPN674 | MPN674 | MPN051 | MPN051 | MPN051 | N/A | N/A | N/A | WT | WT | WT | WT | WT | WT | WT | WT | WT | N/A | N/A | N/A | perturbation | perturbation | perturbation | perturbation | perturbation | perturbation | perturbation | perturbation | perturbation | perturbation | perturbation | perturbation | mutant | mutant | mutant | perturbation | perturbation | perturbation | mutant | mutant | mutant | mutant | mutant | mutant | mutant | mutant | mutant | mutant | mutant | mutant | mutant | mutant | mutant | mutant | mutant | control | control | control | perturbation | perturbation | perturbation | mutant | mutant | mutant | mutant | mutant | mutant | mutant | mutant | mutant | mutant | mutant | mutant | mutant | mutant | mutant | mutant | mutant | mutant | mutant | mutant | mutant | perturbation | perturbation | perturbation | mutant | mutant | mutant | perturbation | perturbation | perturbation | perturbation | perturbation | control | control | control | |||||||||||||||
| m/z | metabolite | KEGG ID | metabolite | KEGG ID | metabolite | KEGG ID | metabolite | KEGG ID | metabolite | KEGG ID | metabolite | KEGG ID | metabolite | KEGG ID | M129 | M129 | M129 | M129 | M129 | M129 | M129 | M129 | M129 | M129 | M129 | M129 | 24h | 24h | 24h | 24h | 24h | 48h | 48h | 48h | 48h | 48h | 6h | 6h | 6h | 6h | 6h | TF173 | TF173 | TF178 | TF178 | TF178 | TF187 | TF187 | TF187 | Tn051 | Tn051 | Tn051 | Tn674 | Tn674 | Tn674 | WT1 | WT1 | WT1 | WT2 | WT2 | WT2 | WT3 | WT3 | WT3 | dldh,NoxE | dldh,NoxE | dldh,NoxE | AA | AA | AA | Fe | Fe | Fe | Glu | Glu | Glu | Gly | Gly | Gly | KO51 | KO51 | KO51 | Ox | Ox | Ox | TF173 | TF173 | TF173 | TF183 | TF183 | TF414 | TF414 | TF414 | TF462 | TF462 | TF462 | TF463 | TF463 | TF463 | Tn674 | Tn674 | Tn674 | blank | blank | blank | Gly_ctrl | Gly_ctrl | Gly_ctrl | TF173 | TF173 | TF173 | TF178 | TF178 | TF178 | TF184 | TF184 | TF184 | TF187 | TF187 | TF187 | TF413 | TF413 | TF413 | TF462 | TF462 | TF462 | TF463 | TF463 | TF463 | Tn051_Gly | Tn051_Gly | Tn051_Gly | Tn674 | Tn674 | Tn674 | WT | WT | WT | WT_noGluc | WT_noGluc | water | water | water |
| 59.015 | Acetate [-H(+)] | cpd:C00033 | -6.794001691896377 | -6.814446986134229 | -6.800707353507935 | -6.203279198823189 | -6.440114169457116 | -6.389860503377915 | -7.258953066902992 | -6.899961254080844 | -6.633289563327977 | -7.003294826866896 | -7.03412316785623 | -7.355843989377885 | -3.802466010754612 | -4.454462924556209 | -4.094258219117516 | -4.091071681416821 | -4.586305594266809 | -4.770514202013552 | -4.3788034941386 | -4.605507747371528 | -4.802733713683496 | -4.205252858161402 | -4.14101574160313 | -4.0065301855370565 | -4.062877456972973 | -3.8543022199527135 | -3.663290656216467 | -3.1603350202996094 | -3.160666040110134 | -3.3087729352292468 | -4.317156236527705 | -3.4945890460668503 | -3.386573630407104 | -3.0138050202364446 | -3.3568360462457263 | -3.3585120269991506 | -3.559171988316404 | -2.9375035522962802 | -3.1117538330288075 | -3.3211340737854287 | -3.9432795494703563 | -2.8488881428629713 | -3.0865055039644047 | -2.656831965683011 | -3.40574658491941 | -3.1362687008130075 | -3.382066535266274 | -2.8675573611014675 | -2.7400210848022675 | -3.314828874839896 | -3.004184359229699 | -3.8941411512683444 | -3.4587500070644372 | -4.0340685941191 | -3.834098169842561 | -4.217077537684018 | -4.050025126221874 | -3.9485148167216346 | -4.375499529384439 | -4.289631712064485 | -4.566948987697572 | -4.496942566883617 | -3.751526861929723 | -3.990283182490505 | -3.7514192427428794 | -4.341333763321579 | -4.017139943555076 | -4.324837361691076 | -3.9066473415351375 | -3.776410511198023 | -3.581438460157957 | -3.6138789785671395 | -3.8363868556295424 | -3.9285403141707196 | -3.9697584806774677 | -3.551308628975576 | -4.091826557455636 | -4.164794244922101 | -3.559971780509523 | -3.987807577390307 | -3.695935339436468 | -4.173195490203211 | -4.071941141201016 | -4.080266781925808 | -3.894538720419111 | -4.137314234031059 | -4.190825543691784 | -4.143247463005094 | -2.978197896340587 | -3.3624717124753323 | -2.975021016197725 | -3.3400975683786425 | -3.0878364528779088 | -3.590052730893152 | -3.335758338220258 | -3.2183638111862214 | -3.528637106552811 | -3.445543309144046 | -3.255350938151897 | -3.1234387468272473 | -3.1006728465075213 | -3.2050741052158496 | -3.160251037870987 | -3.118930394727401 | -2.8758235234717118 | -2.9044702107541345 | -3.61516299136394 | -3.6272326315285106 | -2.8245255618956793 | -3.3338342995055728 | -3.0602962538896743 | -3.5128353753035855 | -3.234159678653024 | -2.5642377827994607 | -3.754689533864579 | -3.4546235741608458 | -3.5242405777302235 | -3.636544237032095 | -3.1033276075243172 | -3.2191636466609164 | -3.225863263075166 | -3.3409438666081757 | -3.3213804731985315 | -2.6978629745861546 | -4.460716066541038 | -4.361600848729161 | -3.6025561377905055 | -3.354525234556637 | -3.4865651323116045 | ||||||||||||
| 74.026 | Glycine [-H(+)] | cpd:C00037 | -8.178245134412759 | -8.495496958121691 | -8.465951013545414 | -8.618875915173797 | -8.539488521769051 | -8.51326518009597 | -8.180833920460328 | -7.89241991842822 | -8.976457616633784 | -8.551592376926106 | -8.98941232621903 | -8.870316734768988 | -8.388832631900629 | -8.491396475935565 | -8.691557403716548 | -8.560915167349584 | -8.450827183725622 | -8.30268813384373 | -8.551921149040123 | -8.663148275025533 | -8.684737835380684 | -8.46603112086014 | -8.119872695490008 | -8.439622739352794 | -8.427686311077748 | -8.45357304874899 | -8.484514827344315 | -8.444397147051362 | -8.430379596613507 | -8.27310971141327 | -8.226547019811475 | -8.336414794008164 | -8.288453696871912 | -8.312392618782038 | -8.474148924828908 | -8.447297855687166 | -8.33220144104382 | -8.028431002008384 | -8.422849369580874 | -8.471894474439228 | -8.483773631858693 | -8.368469176972614 | -8.310571765063305 | -8.126991138273958 | -8.324220035921389 | -8.48761799716948 | -8.396472424307078 | -8.299824134872058 | -8.277225655651096 | -8.3335125560265 | -8.272815242535364 | -8.729505031094995 | -8.333080457745133 | -7.060592396855052 | -6.916148519730953 | -7.177917568610011 | -8.525029868029248 | -8.718348671188162 | -8.688514792621131 | -8.982360155213506 | -9.165633712558263 | -8.918520986442621 | -8.860653402998718 | -8.820415806814376 | -9.086303755478584 | -9.074420784711497 | -8.664695569123252 | -8.71295317064119 | -9.0959502840956 | -8.64323958585564 | -8.591293417388625 | -8.54492988290663 | -8.745276229772502 | -8.941893287872483 | -8.830519719078888 | -8.737675441208427 | -8.952306197115899 | -9.0175979208242 | -8.946733142869723 | -9.153389344378791 | -8.910096482531836 | -8.844744024501942 | -8.915453428751945 | -8.968384941473998 | -8.975720640571973 | -8.864644853331454 | -9.009338206278343 | -8.697973110614827 | -9.45892008181482 | -9.54429460051943 | -9.29496511784255 | -9.223233330144343 | -8.923743011045685 | -9.495466887382264 | -9.281130781264203 | -9.33231416840969 | -9.624541253945099 | -9.206915777841155 | -9.261284685174134 | -9.034134272238719 | -9.118053245211724 | -9.258617633912674 | -9.043592384165013 | -9.264181240142982 | -8.838665440475715 | -9.271847997005143 | -9.256031836724278 | -9.48085670752761 | -9.094440306782166 | -9.114913958210318 | -9.0038637173988 | -9.298483588168786 | -9.352910028508173 | -9.082097043478937 | -9.424461084542104 | -9.518808450442037 | -9.2997863691304 | -9.28365048029141 | -8.912052085065609 | -9.081918710392257 | -9.196531538569436 | -9.441582944911213 | -9.32019579422362 | -9.124511296073367 | -9.796274698871741 | -9.468333697733058 | -9.886689937010376 | -9.390480997493116 | -9.754017294719626 | ||||||||||||
| 87.007 | Pyruvate [-H(+)] | cpd:C00022 | -6.149222171320369 | -6.179715333691493 | -6.195608139012841 | -4.625899310149159 | -4.300728296776431 | -4.68462103285633 | -4.96671397635637 | -5.2183773315639055 | -4.108529153956535 | -3.841658039372114 | -3.922102457880596 | -4.991593636729206 | -7.362211068244323 | -7.489210440772032 | -8.202664827070867 | -7.548019288903297 | -8.747803684895983 | -8.60644389233032 | -8.851207014360979 | -8.569487957415431 | -8.791116198507805 | -9.176563441417418 | -7.682782041507728 | -7.095939937024229 | -8.236451327144062 | -8.35235882260706 | -8.576831502506337 | -7.919338082140636 | -7.698405424443057 | -7.321328622896426 | -7.473560196325385 | -7.490692378981337 | -7.73598880066571 | -7.490934413344218 | -7.350264483251291 | -7.728255663987411 | -7.913014239461885 | -7.706227632280057 | -7.706676145965492 | -7.681510260538646 | -7.506189986857799 | -7.321189210184171 | -7.307804579273738 | -7.5664024990473875 | -7.750308738232527 | -7.387211244111496 | -7.870401055799958 | -7.713000984642588 | -7.206156872596093 | -7.581082959639155 | -7.670124631239617 | -7.791628515246949 | -7.421892153153803 | -6.618568152145617 | -6.526772300674678 | -6.840355379250648 | -5.877114132124954 | -5.851217758253093 | -5.7437972431644955 | -6.764749909851376 | -7.043939448633513 | -6.986155115148399 | -6.634828234831033 | -6.507985958477492 | -6.527645733250523 | -7.374865107896679 | -6.978398623417455 | -7.129394686325682 | -7.107932108084657 | -7.019173878359677 | -6.95003072530105 | -5.796149096638159 | -6.112595200224687 | -6.131948616203909 | -6.265784378273494 | -5.930407332407356 | -5.943374819877515 | -6.262414271966223 | -6.1229429241685 | -5.852321146768371 | -5.7396754196819915 | -6.089197102831022 | -6.0652863806936175 | -6.015258566887638 | -6.007747449475595 | -6.393621680300168 | -6.341720302541821 | -6.4238418404161655 | -5.388059742600719 | -5.529470400558967 | -5.1706968240127855 | -5.1745807945982385 | -5.219452772725884 | -5.273917794839426 | -5.404876180970796 | -5.50600055475303 | -5.971328639568637 | -5.688038808919253 | -5.288384523017487 | -5.1675422530905175 | -5.192203395899411 | -5.189443826027082 | -5.151955511643007 | -5.331675009731972 | -4.906034985713168 | -5.119508927559527 | -6.087861896134292 | -5.439449173631484 | -5.257874480391368 | -5.220489973054641 | -5.353868207856777 | -5.519064383171093 | -5.305257731970041 | -4.662320048689826 | -5.501371267735456 | -5.373183201235166 | -5.505504182567781 | -5.82475710813405 | -5.387878050618271 | -5.3678829677308055 | -5.342560489162054 | -5.490788327400836 | -5.396281634089968 | -4.696573529551298 | -5.600751470983374 | -5.773277323840933 | -4.439251168108256 | -4.8079243875230695 | -4.514882303813076 | ||||||||||||
| 88.041 | L-Alanine [-H(+)] | cpd:C00041 | -4.77143102478277 | -4.585160478055914 | -4.6502471722602206 | -4.7021635840819105 | -4.682038819694067 | -4.674702830197154 | -4.987515134116932 | -5.038248786138854 | -4.46893895485199 | -4.483987701753598 | -4.32506762553308 | -5.225589820718321 | -7.365930862599757 | -8.017150905304934 | -7.57427446879414 | -7.443603153650221 | -8.061293956460377 | -7.7700079530701185 | -7.593996006428057 | -7.9231290448347265 | -8.0011785432499 | -7.575410435691772 | -7.75433223169429 | -7.956715070739614 | -7.962647062150772 | -7.626408138496438 | -7.4052654685703025 | -6.793366811688481 | -6.913247372105073 | -6.855660631668659 | -7.443777490133464 | -7.113919260215679 | -6.8202806390471205 | -6.619425569570015 | -7.0596460992193935 | -7.005430738854163 | -7.052161292988143 | -6.759380987267089 | -6.731981121478793 | -7.0664808047290375 | -7.593596341483078 | -6.543835920938902 | -6.631931907174607 | -6.3338354948754985 | -6.963651349037757 | -6.564233246476592 | -6.8449697104184555 | -6.493028888012744 | -6.468139712540556 | -7.168351398631501 | -6.758348384742783 | -7.202506504554129 | -7.041510988512831 | -4.925647246131243 | -4.937381586040457 | -4.99832422852435 | -4.922396204264439 | -4.91874069374392 | -4.832184157212168 | -4.921021737163597 | -4.978559914007889 | -5.07705934225043 | -4.7145566563890915 | -4.7847567714547665 | -4.6801222889262535 | -5.120238734424966 | -4.789397277743593 | -4.919074500933467 | -5.054323274426372 | -4.908678371191297 | -4.8253727123702 | -4.858936926416856 | -4.985450836233548 | -4.919947160545568 | -4.886277123479434 | -4.949956224500667 | -4.978308374675268 | -4.9853595653490546 | -4.876770782942271 | -4.862534060484145 | -4.947901725574609 | -4.842027837344297 | -4.874580190062567 | -4.8576614166488765 | -4.900647694062171 | -4.943240284639569 | -4.962474441464653 | -5.022386593998319 | -4.781306910235076 | -5.002127026340229 | -4.840798982856091 | -4.792504383513196 | -4.8478497829079705 | -4.865577104445647 | -4.847374491976968 | -4.855422473385417 | -4.931155409953612 | -4.79868689841834 | -4.866138226424453 | -4.857308616273357 | -4.811394347982963 | -4.897371749590049 | -4.84414966994386 | -4.853835001076342 | -4.81109871689646 | -4.804686141780805 | -4.821700153048027 | -4.849669008237145 | -4.756886035152898 | -4.813724102614604 | -4.796924419805199 | -4.903500725237745 | -4.823681964279116 | -4.638009033675875 | -4.890402576378826 | -4.854586218815717 | -4.876247785653792 | -4.936666255363944 | -4.855821646019746 | -4.781752363128701 | -4.903862269757223 | -4.859993359711343 | -4.860278497731807 | -4.766768609768068 | -4.940621101700589 | -4.92247304529455 | -4.873688698587442 | -4.890356202731322 | -4.869425977387146 | ||||||||||||
| 89.026 | Glycerone [-H(+)] | cpd:C00184;(S)-Lactate [-H(+)];D-Glyceraldehyde [-H(+)];cpd:C00577;cpd:C00186 | (S)-Lactate [-H(+)] | cpd:C00186 | D-Glyceraldehyde [-H(+)] | cpd:C00577 | -2.5492329035823955 | -2.347045012152972 | -2.2682867452967304 | -2.9858104847002194 | -2.7835572280674135 | -3.1720186397732593 | -3.382566840743829 | -3.5858409180818307 | -2.5448979118306805 | -1.9056761072873687 | -2.0290024777000313 | -3.0518658366047893 | -4.090191522441239 | -4.217974474174374 | -4.364851945506906 | -4.236796468057731 | -4.2657818795459574 | -3.8844900186125924 | -4.156007865375184 | -3.8229872474681494 | -4.13465444264776 | -4.050719431843333 | -4.416076772518483 | -4.296053128376948 | -4.482209078040178 | -4.359553504400661 | -4.227432574303908 | -3.9289310514098137 | -3.7291000926986535 | -3.855768975042005 | -4.493255052430496 | -3.989092076913644 | -3.9311280217036266 | -3.6527415874028732 | -3.978761160941309 | -4.108830437236708 | -4.11493170165452 | -3.763132394676797 | -4.017030346290235 | -3.8469803914908094 | -4.366414551920023 | -3.368161971732225 | -3.355858887554237 | -3.3510224661004084 | -4.046463062699282 | -3.7895555649116655 | -4.116790765458614 | -3.54666370280643 | -3.3285930672218216 | -4.037175905955329 | -3.562884029618467 | -4.4920586805636225 | -4.008897751542836 | -3.5099205085053216 | -3.3690745237949273 | -3.450189155460338 | -3.326394010041839 | -3.3728444708579577 | -3.217858853053432 | -3.84622526418941 | -3.9672300405558873 | -4.014676253729485 | -3.376329411058704 | -3.34341601569122 | -3.350194581060483 | -4.140858322393154 | -3.6640922264201485 | -3.378703515070008 | -3.8368844915420617 | -3.6005243095033688 | -3.5851067100618277 | -3.5364547598993177 | -3.8300206407820134 | -3.685160264656864 | -3.59947274137336 | -3.7635015143266624 | -3.572662515284473 | -3.6423881425312694 | -3.740028368757096 | -3.2630987051812546 | -3.4871354132223735 | -3.259670587336731 | -3.405605640318992 | -3.5188896433855197 | -3.5178076763790767 | -3.6256287157817946 | -3.724481903816841 | -3.8353467598107702 | -3.3035961091102 | -3.575853087514358 | -3.169976870724448 | -3.245880316445176 | -2.925230607186189 | -2.9509510238058496 | -3.541090072562681 | -3.500327900658113 | -3.634901975887516 | -3.5260022498484926 | -3.2986336915848415 | -3.1703377386787177 | -3.135912478352588 | -2.8955320102231297 | -3.0892337747513574 | -3.3327106728736324 | -3.0658393993312356 | -3.097929075995178 | -3.458719628436296 | -3.394255942268287 | -3.008573864251582 | -3.283712348690594 | -3.068608892105446 | -3.417948205191357 | -3.318654699702021 | -2.6455615076420775 | -3.494857940213551 | -3.6001757767890417 | -3.604284044119003 | -3.9079062373124605 | -2.690343583668824 | -3.3381206953996725 | -3.447646511119137 | -3.4646025304842127 | -3.274510586153373 | -2.7167093052439837 | -3.7976612957718006 | -3.700625042284191 | -3.5572838987985422 | -3.577305226786341 | -3.550192914316553 | ||||||||
| 91.04 | Glycerol [-H(+)] | cpd:C00116 | -11.541330001821303 | -11.834836497224119 | -12.08843854606468 | -11.520550539204367 | -11.845155284661535 | -11.439347582832399 | -11.635722589445255 | -11.683180609188543 | -11.413753393017094 | -11.367549618154186 | -11.318201652252306 | -11.223122878694593 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | -9.939791676048909 | -10.021951530942955 | -10.080587910835874 | -10.71818689042475 | -10.434179205963474 | -10.804374567107034 | -10.659348065239081 | -10.885546388753832 | -11.187634530540885 | -6.839766286636214 | -6.684325987040183 | -5.593838443594612 | -11.704565055242467 | -10.992915484957937 | -11.347124278100479 | -10.939493744597767 | -11.040927724327362 | -10.85576531180633 | -10.77182084641844 | -10.761809891668566 | -10.67675782993281 | -10.855655026123435 | -10.458501177047424 | -10.705492808779708 | -10.365622205784739 | -10.665959984381196 | -10.516684131543913 | -10.250040027464202 | -11.065573559008874 | -10.577868097361497 | -10.453230624794948 | -9.90467504538425 | -10.284868218438692 | -10.386205716000697 | -10.751665980680709 | -10.195009943884486 | -9.721081190477744 | -9.580427177919704 | -7.75041603620939 | -6.735652229351473 | -5.517470508014949 | -10.082631362508193 | -10.198939578963882 | -10.594670913997849 | -10.80156933014195 | -9.516025112002266 | -9.717317758919036 | -10.206102161578137 | -10.169262940561511 | -9.412017808732578 | -9.853416714000334 | -9.820990271408231 | -10.007564324013376 | -10.232316138994472 | -10.591889514202144 | -9.883216012818393 | -10.044947437317894 | -9.867479938363322 | -9.986631548460089 | -10.207034786556404 | -9.491264484029779 | -10.425736537200088 | -8.127705459790112 | -7.653000029326992 | -10.657467169691882 | -8.463392331616921 | -10.004018341125102 | -10.183362242896441 | -9.915941683422147 | -10.247653193704272 | -9.243842605825384 | -10.190527165650268 | -10.505048913355857 | -9.484902251770551 | -9.355204893478446 | -9.293954317727431 | ||||||||||||
| 94.03 | Glycine [+F(-)] | cpd:C00037 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | -9.611634136816129 | -9.1133562847066 | -9.640251995487889 | -10.285135164549294 | -9.542436782827975 | -9.506652661515815 | -8.814549036042756 | -9.326663672574668 | -9.321618694121142 | -9.349771227586333 | -9.028644489744222 | -9.136986204354894 | -9.26916411800422 | -10.123539241215424 | -8.417590761483169 | -8.662030798341396 | -8.528023320551162 | -9.553120251340712 | -8.954373327422013 | -8.84986984751992 | -9.062643522996003 | -8.883640915223326 | -9.554373305169769 | -8.860795883106007 | -9.41695434703852 | -9.337008611124729 | -7.588851796557455 | -7.637443706584854 | -7.806075359568025 | -7.743322945328664 | -7.60735944775489 | -8.04243864963045 | -7.824075867526557 | -7.9161452259920555 | -7.889033116562431 | -7.504735673431215 | -7.727768844472286 | -7.202538024546144 | -8.058485401269648 | -7.615534329237561 | -7.960584750685814 | -7.433014697676785 | -7.47545386624499 | -7.111273182013763 | -7.700861828886521 | -7.714196130024073 | -7.739010325738381 | -7.738873417868087 | -7.279823329490947 | -7.899848498104983 | -7.96800346568103 | -7.357002041241604 | -7.914131115045 | -7.546136440411208 | -8.063711562006356 | -7.800385909349509 | -7.742151979339455 | -7.731514370403964 | -7.778123839563842 | -7.8002536564075 | -7.707724480403129 | -3.4157382078799654 | -4.071267596963496 | -2.9864924612105197 | -3.8573382386107538 | -4.675663691770616 | -4.7350823450736135 | -3.976229544146943 | -3.885482930228008 | -4.737604641190159 | -3.931077809439354 | -3.3105322483141553 | -2.9649735448452965 | -3.1774345927211245 | -2.996427252034829 | -3.6214272598237884 | -3.1561536566086557 | -3.043140508292943 | -2.9078764207601857 | -5.327562571736028 | -4.285159473928963 | -2.7314310761324263 | -2.9238211889448222 | -3.3819156849077223 | -3.7582282757226544 | -3.8549733318535186 | -3.440235689333718 | -4.5419830379917965 | -4.105056006171763 | -3.989365742825434 | -4.963045794523282 | -3.8170974785901093 | -3.9305899899309797 | -4.00547972243138 | -3.7264754948220675 | -3.5973631284170247 | -3.55774760706779 | -5.0254315408933055 | -4.847795344666179 | -3.387310436782613 | -4.105857946680488 | -3.514058762923231 | ||||||||||||
| 96.97 | Orthophosphate [-H(+)] | cpd:C00009 | 0.48629834474664807 | 0.13537818443960833 | 0.25764003423552995 | 0.34901904330105965 | 0.3864289818432942 | 0.8930917994635362 | 0.9316516934801388 | 0.5196448341060639 | 0.5711038202729597 | 0.8286143853499162 | 1.4112844503031 | 0.6605122208900841 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | -2.8551672917651505 | -2.770826042603459 | -2.8030176676449066 | -2.871170828398796 | -2.8509726706285883 | -2.878736886789859 | -3.1385116607646735 | -3.2437915294781097 | -3.1895721844366878 | -3.0861173910931288 | -3.17571752150527 | -3.088048693624889 | -3.7232060329927 | -3.39420184139359 | -3.3050174348494155 | -3.3769742337227573 | -2.933298550684843 | -2.869635387366764 | -2.8093382685503054 | -2.699352002036529 | -2.7827973330214317 | -2.8528601376709948 | -2.6800206087476917 | -3.0141853628805992 | -3.0251022382640835 | -2.866180173599135 | -2.9612821155562132 | -2.8628605727634064 | -2.976991405880148 | -2.927119506316609 | -2.9048991333478122 | -2.8725624500338114 | -2.856726322358016 | -2.890401692142027 | -2.8274071777971197 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | ||||||||||||
| 104.036 | L-Serine [-H(+)] | cpd:C00065 | -5.835438137551514 | -5.808896940631018 | -5.680940248241861 | -6.066534537907225 | -5.905759007965751 | -6.110317131464396 | -6.3135288384872155 | -6.336133915472564 | -6.2056486089864755 | -6.105605213659346 | -6.761353732199885 | -6.538657478311312 | -8.227510247271304 | -8.452176116621512 | -8.44469829839343 | -8.45505567257818 | -8.228984934711514 | -8.319018986889061 | -8.31744708074548 | -8.522800251184512 | -8.451061816886533 | -8.646647380727572 | -7.967366339260855 | -8.157698548737535 | -8.122165149598475 | -8.308322667470861 | -8.111188733822562 | -8.38948582021345 | -8.144623402350419 | -8.265449862160335 | -8.49336226647558 | -8.394242780006024 | -8.271431680145737 | -8.404635159318525 | -8.601719676823805 | -8.672206986969053 | -8.447447027164305 | -8.21743182915607 | -8.661966719111401 | -8.434606927176253 | -8.566381219879336 | -8.306436077926286 | -7.762151248506958 | -8.343237143542016 | -8.150951550875936 | -8.553568852631399 | -8.706182124386816 | -8.532380846388396 | -8.024591165988502 | -8.55046011993525 | -8.198541064161718 | -8.995127615374287 | -8.223992956631147 | -5.6764403066852624 | -5.41472486329733 | -5.424168189405629 | -6.336873669022155 | -6.533875979984993 | -6.166803384142451 | -6.455598440827467 | -6.545050688800547 | -6.551003419206373 | -6.562793106130584 | -6.4518307559604064 | -6.720853925445898 | -6.732388182418044 | -6.560080959852623 | -6.32094534801023 | -6.913137775322042 | -6.742297870340449 | -6.889831807777616 | -6.5834819846256645 | -6.692907811530569 | -6.540406511025968 | -6.6065197341377795 | -6.657279941153921 | -6.493450530678508 | -6.429449201025446 | -6.565082449083083 | -6.442127120821114 | -6.644395371260407 | -6.328640318747916 | -6.445052011039135 | -6.47319825628248 | -6.6020516131538045 | -6.453451496813488 | -6.462884984358709 | -6.4325020899520275 | -7.047998009332177 | -7.18961033355558 | -7.2910040516094945 | -7.062253669249403 | -6.98328236448001 | -7.060693275739744 | -6.932107481328578 | -6.925619594952057 | -7.058112083811911 | -7.07053866161581 | -6.845142993855939 | -6.8580603127448425 | -6.884892321944406 | -6.846924720490738 | -6.8066739333416715 | -6.944322444955945 | -6.816323785401114 | -7.01919057009089 | -6.892617426523464 | -6.908018632744467 | -6.7150553056524664 | -6.908138985419934 | -6.920798591499228 | -7.123205025314773 | -6.934382697899661 | -6.400190548454222 | -7.091574478429854 | -7.007492435013512 | -7.0175420001217566 | -7.056077376990969 | -7.4776677030364915 | -6.978968353158095 | -6.890780989025192 | -7.12895577592556 | -6.998431732583805 | -6.7439507070690805 | -7.46819258858549 | -7.211147342701272 | -7.815011832300846 | -7.365237639635916 | -7.542249843910763 | ||||||||||||
| 107.013 | Pyruvate [+F(-)] | cpd:C00022 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | -10.37220526579642 | -10.804452227114961 | -10.200947159516174 | -10.91939520221432 | -10.605120466311371 | -10.610930421081113 | -10.78871467559555 | -10.543166990133063 | -10.9390317032602 | -10.897698312919816 | -10.613345588597227 | -10.67772797793678 | -10.546776533042523 | -10.73506866523097 | -10.351144240327793 | -10.786441910270135 | -10.385154865809877 | -10.442054757033759 | -10.530412675404293 | -10.981471593794469 | -10.544748630650837 | -10.73352876821223 | -10.6947767768244 | -10.760367408096277 | -10.674432686553617 | -10.24272388454221 | -11.028478188243653 | -10.88559260394817 | -10.66995450779388 | -10.969032106392733 | -10.627242004918186 | -10.699526629950068 | -10.659510491153902 | -10.637711484303598 | -10.843893637930082 | -10.24004368320759 | -11.1121761986335 | -11.081481535276273 | -10.419167857013168 | -10.393325677243935 | -10.386698848259087 | ||||||||||||
| 108.046 | L-Alanine [+F(-)] | cpd:C00041 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | -7.556413019037467 | -7.710713091831938 | -7.829778889400637 | -7.890349639314496 | -7.5492850150984365 | -8.066140662207115 | -7.813656250597683 | -7.911129474592156 | -7.854181269246868 | -7.6882449971178515 | -7.833841023022898 | -7.662633011454876 | -8.271662503647299 | -8.05005457750512 | -8.346926697581209 | -7.828348959033152 | -7.627038890102003 | -7.5526940562548255 | -7.70446572883737 | -7.745127968745089 | -7.894877033358368 | -7.930764398244047 | -7.485474948200947 | -7.86233133789281 | -8.010356560121624 | -7.468755845007358 | -7.971948021170472 | -7.620957790775068 | -8.238599241606604 | -7.699832535245839 | -7.739816896468014 | -7.715605620431053 | -7.8519479230111635 | -8.11730388095148 | -7.496428009608465 | -4.660385325430031 | -4.758414197153906 | -4.291767859668172 | -4.684367765161215 | -4.747759341058196 | -4.747947355776236 | -5.032000544185228 | -4.9662161997219965 | -5.237787942828001 | -5.152121413127782 | -4.471653339735491 | -4.224066642409683 | -4.711029432073505 | -4.611887026457897 | -4.468964400245912 | -4.8069562651758595 | -4.427278525360911 | -4.208787263759324 | -6.114610203473868 | -4.98061819042356 | -4.3156467723665335 | -4.52829092322747 | -4.572518659364852 | -4.713118749958123 | -5.060712166132254 | -4.331988906491458 | -4.940080726447643 | -4.764159814785503 | -4.744367771920498 | -5.313390335933233 | -4.95592242742104 | -5.445494507032665 | -4.769311665576937 | -5.022909634551836 | -4.625637625147217 | -4.051941776368715 | -5.092636111396308 | -5.195509248341627 | -4.026815410172278 | -4.207295356596245 | -3.748612033734423 | ||||||||||||
| 109.03 | Glycerone [+F(-)] | cpd:C00184 | (S)-Lactate [+F(-)] | cpd:C00186 | D-Glyceraldehyde [+F(-)] | cpd:C00577 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | -8.695278056711917 | -8.353025218185536 | -8.677377070550204 | -8.562266249476105 | -8.555426077236802 | -8.817373732919966 | -8.608605138540511 | -8.67086854486033 | -8.752098254226857 | -8.875869477281988 | -8.901612681793448 | -8.748811035459315 | -9.273002154516886 | -8.629026389153742 | -9.166507349497365 | -8.851745457449915 | -8.768275048146526 | -8.846611084265945 | -8.123207578678334 | -8.312511879088929 | -8.409626007492738 | -8.723323661056769 | -8.211674819241551 | -8.64814499179771 | -8.903400967904414 | -8.33430698158806 | -8.680102641874765 | -8.533033037463664 | -8.898808954778982 | -8.697380842683154 | -8.651681443755963 | -8.604075595985513 | -8.673307933131715 | -8.720977703589496 | -8.481244551691965 | -6.2270745082638115 | -6.278816143111892 | -5.825585127336215 | -5.956147268034549 | -5.845441970529279 | -5.94028828867622 | -6.410648034688557 | -6.311370115207094 | -6.57209923970392 | -6.6864690439755465 | -6.011569836071832 | -5.739686614533226 | -6.220412263626203 | -6.141280672784202 | -5.7953947084483595 | -6.335658871908384 | -5.7782510275413275 | -5.692550907289671 | -7.199579501737474 | -6.250265029518562 | -5.8463692295762835 | -6.199531786909101 | -5.99147306549621 | -6.152142948209982 | -6.4100464822447565 | -5.591228273411302 | -6.363267910242299 | -6.262460410916642 | -6.224046448688915 | -6.639122657205828 | -5.640691844085257 | -6.715174791675746 | -6.194713994317425 | -6.442438719308874 | -6.009926900381993 | -5.4290028881366315 | -6.460940273931977 | -6.596396332197547 | -5.5173207554911095 | -5.564286183970763 | -5.1689032323636575 | ||||||||
| 111.02 | Uracil [-H(+)] | cpd:C00106 | -6.753821124719849 | -6.482587314836986 | -6.415241867298854 | -6.367836477900183 | -6.135947161555219 | -6.056749839843077 | -6.529571389550896 | -6.6037029857874785 | -6.2483364859759405 | -6.279740041594346 | -6.288979281400484 | -6.543166247621746 | -7.022215248309918 | -7.111241931936757 | -7.056360572654064 | -6.975738920031481 | -6.8918603895037025 | -6.7355678465926285 | -7.087259862897177 | -6.964932496580974 | -7.107848739327266 | -7.076081896335927 | -7.234093850050403 | -7.2278056523570955 | -7.288191691678532 | -7.186152268481018 | -7.108507570881789 | -6.804754597397592 | -6.565314163790344 | -6.676967198420185 | -6.835078786659128 | -6.56614802491269 | -6.925406196461934 | -6.452027426303127 | -5.665758794983137 | -6.294899718394309 | -6.4364557106086036 | -6.592399278417159 | -6.839797273132908 | -6.504097825909065 | -6.287227295061633 | -6.768894705590077 | -6.3748132011287915 | -6.347026239263099 | -6.899951907312983 | -6.54626725468384 | -6.6630657841832885 | -6.698051128576188 | -6.664653848771085 | -6.60891308363944 | -6.392513367533347 | -6.218797621964786 | -6.5497064702717545 | -6.821198843633449 | -6.661092437937396 | -6.855676681991197 | -6.647342462044447 | -6.682083992385253 | -6.689360704476162 | -7.020001717556477 | -7.069547454756824 | -7.213639004420652 | -7.033437797524339 | -7.033182679416918 | -7.062141892376651 | -7.3834055524752555 | -6.985261601675787 | -6.911492807864719 | -7.211863701599496 | -6.957034344109326 | -7.041598841330899 | -6.888330889134053 | -6.9125063131075235 | -6.739167034654527 | -7.063560727249574 | -6.8415519107818925 | -6.997101724065231 | -7.008093391212973 | -6.957253861350691 | -6.649811551901124 | -6.919002117015596 | -6.880845260559549 | -6.80569429117624 | -6.971584854870346 | -6.87387137576392 | -6.875347719772044 | -6.869329634002092 | -6.88070860254197 | -6.358987390180837 | -6.302133453713074 | -6.035837370754345 | -6.035892628626789 | -6.108311300279248 | -6.260972742033984 | -6.320790362464609 | -6.444300048720103 | -6.472394755691851 | -6.404034019849905 | -6.207401569404486 | -6.074597777739725 | -6.196513603650636 | -6.278266930838082 | -6.079139868012385 | -6.472995698912594 | -6.139410130668733 | -6.170223394578098 | -6.2010328920936715 | -6.318284634722238 | -6.193920451065765 | -6.360803995230253 | -6.273955814337835 | -6.295146968121693 | -6.235802842095325 | -5.983590646434813 | -6.146085344993895 | -6.163985672570285 | -6.2203175106569875 | -6.442331459104027 | -6.02290900368242 | -6.303501453566346 | -6.285780955998895 | -6.335427125147657 | -6.198371886253291 | -5.747318226598084 | -6.01990534720371 | -6.389804044353686 | -5.700490994486928 | -5.914749244405708 | -5.706536545471122 | ||||||||||||
| 111.045 | Glycerol [+F(-)] | cpd:C00116 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | -7.791258861660277 | -7.749605746254166 | -7.350173534152724 | -7.4819240430522695 | -7.455999863349368 | -7.428610600382238 | -7.972716164229927 | -7.963779100847434 | -8.249044055012204 | -8.166143586626937 | -7.60692149404346 | -7.365605351730756 | -7.87228658127721 | -7.778435389650792 | -7.4037421688263505 | -7.9333268389567815 | -7.4512892839447975 | -7.3100222997088125 | -8.682483005138094 | -7.972762932148518 | -7.4480394956947125 | -7.711641085437759 | -7.675101657650243 | -7.759146690014475 | -7.908769387549684 | -7.183134557631403 | -7.953522875484377 | -7.726272982612276 | -7.75527706765765 | -8.240698398555216 | -7.503026118219145 | -8.378486478205382 | -7.676680685919104 | -8.134494639563309 | -7.698818554173625 | -6.916128266663076 | -7.988344160300768 | -8.262243447575713 | -6.968292237270422 | -7.09166250059022 | -6.762427111125276 | ||||||||||||
| 114.056 | L-Proline [-H(+)] | cpd:C00148 | -3.2044742151464343 | -3.1189241437901267 | -3.2202982665914432 | -3.663324836199724 | -3.9302150485689262 | -3.7273418157695284 | -3.5256456044702653 | -3.889279549339591 | -3.316154026257378 | -3.6898057734953995 | -3.321263082838791 | -4.189470728138642 | -3.494975102406291 | -3.915274547743185 | -3.3244802402410083 | -3.578477864082391 | -3.9368789587773927 | -3.770643092062189 | -3.2308841934933756 | -3.6604289877254397 | -3.608482821779591 | -3.178357860987153 | -3.825593482646602 | -3.6699716449177227 | -4.094310640808137 | -3.945176699550269 | -3.705931614829561 | -3.7919470829154753 | -3.6195932313627392 | -3.9434568457680714 | -4.563024396539329 | -3.767828340379083 | -4.090839493794995 | -3.836369970680294 | -3.9211906023766834 | -3.708648870490116 | -3.7370482521648145 | -4.011892309078089 | -4.173670120061678 | -4.07040660989501 | -4.347423560772563 | -3.6212797765400677 | -3.5550459499861016 | -3.456446422014488 | -4.187683829816914 | -3.626415507129059 | -3.800815472636341 | -3.9938990613853877 | -3.8174566870885105 | -4.20183080927374 | -3.818395159480131 | -3.9796402042694616 | -4.056031439097033 | -4.123768936998731 | -4.500436341614782 | -4.5250524064350435 | -4.864514874756523 | -4.917400839520473 | -5.071693622498559 | -3.756034517898033 | -3.5129433681534787 | -3.5042658338129917 | -4.3773445465587555 | -4.365181316327647 | -4.211411551092502 | -4.321194533591837 | -4.101825522150961 | -3.9944059151733677 | -4.642013763204204 | -4.687006469534609 | -4.622863644491768 | -4.142785951357215 | -3.994076447000866 | -4.347905604187331 | -4.079482979472101 | -3.7452090853712163 | -4.049773888711934 | -4.362836757696194 | -3.8600356265634455 | -4.4013692290333175 | -4.259077670879114 | -4.565977431308966 | -4.266732316121914 | -4.275039837513061 | -4.107453604314996 | -4.6544432214571065 | -4.613537000796171 | -4.475078251060601 | -4.740216366440552 | -4.781837213015858 | -4.701104471408072 | -4.225473089138419 | -4.308425020180864 | -4.362756178896457 | -3.9507803910215458 | -4.109396194868278 | -4.3235691919776755 | -4.149762089635243 | -4.004230598019211 | -4.067825244169237 | -4.071495262718935 | -4.086386696399251 | -4.206833739976503 | -4.076799540992009 | -3.9204310209531017 | -4.1177598557320385 | -4.104313533993338 | -3.963228954288806 | -3.8064228498456942 | -4.045005907876063 | -4.160626772395714 | -4.407467555944508 | -4.216679122580965 | -3.7323112663698095 | -4.495502016307332 | -4.118562773546976 | -4.260887200656517 | -4.304214200777392 | -4.158760117059452 | -4.392138258544074 | -4.298581510866503 | -4.245768173542676 | -4.336241476465617 | -3.860841200359461 | -4.112712987888223 | -4.3926631491200405 | -3.910370617005232 | -3.929215179160554 | -3.89525403154019 | ||||||||||||
| 116.072 | L-Valine [-H(+)] | cpd:C00183 | -3.4152140958613324 | -3.4758006472550527 | -3.509480115771329 | -3.48613803526726 | -3.4806745130227936 | -3.397155823224518 | -3.383251655527271 | -3.4964770625235184 | -3.3533151267090098 | -3.3618497473119437 | -3.230961067227532 | -3.6737379973348308 | -3.443328365701805 | -3.7314339261813356 | -3.4532440794585084 | -3.5452733146944566 | -3.6304056346312614 | -3.540882113143031 | -3.4097651859287157 | -3.4887404564133386 | -3.662287134695777 | -3.3355442839698126 | -3.798891575606459 | -3.6485976807229266 | -3.6158734390800413 | -3.6130915644002273 | -3.5038797440376377 | -3.113252634705742 | -3.067297689887153 | -3.1527134027461896 | -3.3417817981615343 | -3.0872826712645134 | -3.259663705727729 | -3.1531778197306712 | -3.049919262058178 | -3.0167696829319195 | -3.1178202529922507 | -3.1931445984051896 | -3.187763574441028 | -3.1147814842788137 | -3.1348329131742325 | -3.139480253930501 | -3.1166602581156932 | -3.1032510088764536 | -3.304482115026261 | -3.1370333314652403 | -3.169504529161138 | -3.245739307848821 | -3.2453086991034885 | -3.197484661108905 | -3.0790429625568128 | -3.118554001909426 | -3.093505597526219 | -3.5787431345640677 | -3.612732730890768 | -3.6210084802919176 | -3.5779960633166126 | -3.64509467511332 | -3.531486541109111 | -3.5388687717179015 | -3.563303389317515 | -3.6049783962943147 | -3.3913555871239187 | -3.5444697307089146 | -3.3244649262246133 | -3.5724531702348328 | -3.446640301164857 | -3.568051899738222 | -3.47651704078836 | -3.4931493301538423 | -3.5078198317576113 | -3.6195864080275 | -3.58769783443484 | -3.5316804762455662 | -3.557927987653126 | -3.55162515360489 | -3.600895555337178 | -3.6584533829372465 | -3.6256150520110935 | -3.5215602645819946 | -3.5466608803264235 | -3.552307872809915 | -3.683026728474798 | -3.5718681452153596 | -3.5889346576537213 | -3.572015359639117 | -3.5819845537199386 | -3.6402513039760183 | -3.2402464695750863 | -3.188303406147954 | -3.0985530126051235 | -3.008017773149012 | -3.1201899160379307 | -3.047717006911143 | -3.1514998416581945 | -3.193463003842509 | -3.2209950655656026 | -3.1174261042889713 | -3.0322372486586997 | -3.0763908203260213 | -3.036244788026309 | -3.1122586818165 | -3.0660055807416073 | -3.182686096555315 | -3.0855448802899477 | -3.1045196487509186 | -3.168562655749609 | -3.1059297742823544 | -3.045717489214035 | -3.1283930964900266 | -3.006718268686014 | -3.043184056532727 | -3.0768754146296855 | -3.0600897558838023 | -3.0968605993099327 | -3.0768287582950022 | -3.0672465748193054 | -3.2191666228239946 | -2.860490510588251 | -3.129517521818669 | -3.0817964847812207 | -3.108839777831206 | -3.072300018452992 | -2.9669362536279023 | -3.0242294293018572 | -3.08193498134337 | -2.9829058760455145 | -3.067909652151572 | -3.01436159798979 | ||||||||||||
| 116.973 | Orthophosphate [+F(-)] | cpd:C00009 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | -7.44450683569955 | -7.493991570850407 | -7.404984556352603 | -8.092179212497195 | -7.248556390975273 | -7.737082588979668 | -7.566255522783442 | -7.450677937730267 | -7.573320842560322 | -7.695846145383036 | -7.514829638873455 | -7.4778028277041315 | -7.051042584135897 | -7.41603041144027 | -7.665353623322237 | -7.031156706497677 | -7.885516788125645 | -7.494156233879088 | -7.579709199916011 | -7.752155789492866 | -7.3939915241859095 | -7.749877906905269 | -7.42088039225081 | -7.3247656512328225 | -7.733904059065716 | -7.399703170751133 | -7.347123524123904 | -6.949479741073025 | -7.228065321138038 | -7.211586609400551 | -7.0644670585297815 | -7.162761061863049 | -7.316536436056699 | -7.830856871289199 | -7.688285347751632 | -7.096821333788849 | -6.791615349689761 | -7.329480283446279 | -7.738334611989217 | -7.718227432537928 | -7.483511778778891 | -7.281587178847586 | -7.018051011845471 | -7.018728746757542 | -6.937373763047665 | -7.187594904227427 | -6.913548856766274 | -7.175055813399094 | -7.319912847829343 | -7.104689944668078 | -6.973922964533997 | -7.117791425464755 | -6.897290573374976 | -6.984920243991188 | -6.788996885134222 | -7.354342394730608 | -7.340364961928903 | -7.503674713263546 | -6.763975946529738 | -7.096188088936171 | -7.1880009339079285 | -7.530620453946907 | -8.052115254701448 | -7.9795725041386225 | -7.982485203255451 | -7.938343597347574 | -8.279722128669986 | -7.73303998882437 | -7.8375697566038225 | -8.38734356666175 | -8.030284552838605 | -7.948953336035107 | -7.8008336641570715 | -7.3342953490138285 | -8.039379787180156 | -7.653132186783337 | -7.800539696831327 | -7.195862845924483 | -8.009156007263767 | -7.8653083323440525 | -7.571588410671313 | -7.225522310441244 | -7.43746295377327 | -7.443035197638152 | -7.672422252013592 | -7.697020744882674 | -7.334295709153868 | -7.838897663450634 | -7.792860661170731 | -7.8740131449331825 | -8.145167590945151 | -9.071754074885456 | -7.6034643238672315 | -7.459192982923413 | -7.856670685583239 | -7.531594924690445 | -7.4976863793232615 | -7.932752705326842 | -7.789112403683888 | -9.25531642520494 | -7.873016050224483 | -8.768931295791466 | ||||||||||||
| 118.051 | L-Threonine [-H(+)] | cpd:C00188 | -5.491556378016879 | -5.597941508377689 | -5.54103276477261 | -5.909625838491446 | -5.880202224125679 | -6.030852017081841 | -5.825193944660248 | -5.943768661784367 | -6.033209798543315 | -6.110078281277874 | -6.608497958063106 | -6.1543460855171945 | -5.755206858802831 | -6.058448745019135 | -5.97041998735038 | -5.95981411144564 | -6.030003490947696 | -5.890995879766741 | -5.859727189850905 | -5.946633171628668 | -6.086027968230163 | -5.950800236249626 | -5.666685069473873 | -5.827128776477025 | -5.952032475807957 | -5.817418665551998 | -5.6649681064725295 | -5.647423085383639 | -5.419300718326002 | -5.569439541072613 | -5.585797065695172 | -5.603253368303023 | -5.592031861068362 | -5.501482462555198 | -5.658367388012587 | -5.698460809885093 | -5.6679402742098715 | -5.49227666107177 | -5.640887159297054 | -5.645208034828179 | -5.688621003163051 | -5.631858085537803 | -5.272526053324654 | -5.532868099802161 | -5.60047754345927 | -5.699262001572453 | -5.690034240897327 | -5.468641358318922 | -5.344733889775943 | -5.594774277607339 | -5.451417594042329 | -5.742335562604792 | -5.6149504491185755 | -6.260000472989514 | -6.097614896150462 | -5.95024730842634 | -6.133575272865379 | -6.364706770617333 | -5.967330478681463 | -6.2309659460815485 | -6.33907896485483 | -6.359329246353551 | -6.229971441957823 | -6.210339005568623 | -6.310499374659392 | -6.44824910498503 | -6.226324584531639 | -5.964415437540336 | -6.49023391908053 | -6.281948055707191 | -6.331035053886256 | -6.332874661191596 | -6.430473667196862 | -6.208584213137028 | -6.26048142328045 | -6.227203525666767 | -6.122243310452903 | -6.123937839347059 | -6.203633524560531 | -6.253408851847619 | -6.3439141974995605 | -6.115424201900871 | -6.202714096350503 | -6.191700016740259 | -6.276753703546963 | -6.1284430573551605 | -6.229346833965126 | -6.2213177918140055 | -6.386206291396356 | -6.588211961015138 | -6.458303140661668 | -6.466911704039256 | -6.345346035811884 | -6.634385823451652 | -6.3236393847702095 | -6.3266774997942 | -6.4496534035905055 | -6.501120320086354 | -6.296824379941604 | -6.275513472260134 | -6.205529778389213 | -6.408910735491213 | -6.247036367312814 | -6.316774064585024 | -6.2006910146816345 | -6.299082533092905 | -6.364665228192543 | -6.367677492559095 | -6.186318048804556 | -6.2981235392837505 | -6.205382628971428 | -6.487104020516968 | -6.332173570080555 | -6.001584933277433 | -6.552291043436276 | -6.445572853499428 | -6.387451834220304 | -6.430789991743835 | -6.617779386550415 | -6.429058891535333 | -6.348302462179235 | -6.546446042977234 | -6.364499205970107 | -6.196996470647542 | -6.796710109622966 | -6.647312932832083 | -6.861264329780121 | -6.708627974023255 | -6.732995083922575 | ||||||||||||
| 120.012 | L-Cysteine [-H(+)] | cpd:C00097 | -12.701241394712401 | -13.133151504715116 | -13.120818060471795 | -12.968428736200734 | -12.556494739612454 | -12.5896327651884 | -12.534683116225848 | -12.538159323296014 | -12.495359064618759 | -12.523491935060177 | -12.823391644913405 | -13.05627046255707 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | -12.15877058553607 | -12.106877439146778 | -12.066416932300605 | -11.716356191920418 | -11.774702735389777 | -12.3410134786656 | -11.777258032759654 | -11.807264711885352 | -11.752792754153221 | -11.993567796738484 | -11.859669891051716 | -11.913040296149271 | -11.60796106468003 | -11.350697061129733 | -13.917899482864891 | -11.533145902927597 | -12.246799072088873 | -11.59270832370425 | -11.801156336063565 | -11.935732332922179 | -11.571206262854938 | -11.11150449675967 | -11.108862962810502 | -11.103963743220158 | -11.416528820252347 | -12.239125914038498 | -11.144900562566855 | -11.13360090578757 | -11.885108932902192 | -11.088878462584741 | -11.301987640017714 | -12.275906812858915 | -11.342595635722938 | -12.445490586124825 | -12.037269565127863 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | ||||||||||||
| 122.025 | Nicotinate [-H(+)] | cpd:C00253 | -7.610932093974538 | -7.70226657268988 | -7.631545603146442 | -7.5141003526908285 | -7.4304043022671795 | -7.009284906719412 | -7.395862480979495 | -7.594812182601855 | -7.3576593624351165 | -7.311973437551212 | -7.027039309089543 | -7.634829018134329 | -7.257266180577599 | -7.453569529948467 | -7.326790684125557 | -7.2606331595431035 | -7.377446633178604 | -7.190864536167828 | -7.481921429514882 | -7.36982152579572 | -7.4127669977967425 | -7.316371477796888 | -7.755723913693645 | -7.701399482974278 | -7.539138858716573 | -7.518601775224012 | -7.272166850591852 | -5.514531637872481 | -5.674177430816186 | -5.485791591829413 | -5.951803601944209 | -5.832439837321384 | -5.75999820545734 | -4.976804073509142 | -5.434645111562564 | -5.479519474368756 | -5.6592960010276725 | -5.850132864401568 | -5.636390169673596 | -5.668495498149948 | -6.069549874846886 | -4.98230970824389 | -5.033885807461461 | -5.160320096943566 | -5.853686656666319 | -5.09997852347551 | -5.639360104735671 | -5.4411491446614795 | -5.528660155462277 | -5.815094474754717 | -5.458133089929972 | -5.249405643707663 | -5.744987624991189 | -8.321692843742163 | -8.44656603588226 | -8.534968753020934 | -8.441224650698217 | -8.25318175755628 | -8.415769278246826 | -8.411620487061116 | -8.599439963524329 | -8.504029003053319 | -8.376285669634548 | -8.500037735994956 | -8.181103239132428 | -8.857545755576798 | -8.541462648911816 | -8.709078133069962 | -8.419479897004766 | -8.449834342745232 | -8.184091300812556 | -8.386071216812326 | -8.428323492971442 | -8.279622134933515 | -8.186227199611315 | -7.966123247696908 | -8.361265717199467 | -8.39321564243437 | -7.992852905839233 | -8.376489571460338 | -8.10758393262304 | -8.458438776148721 | -8.239500532536397 | -8.159520922523889 | -8.217480905244056 | -8.314912082158642 | -8.26253840545272 | -8.313883912669835 | -5.1042341022963225 | -5.506288305454057 | -4.735551416162728 | -5.184649942237183 | -5.704967084677429 | -5.767366311599565 | -5.3271116598079535 | -5.367360844285009 | -5.915364693213632 | -5.459711620438855 | -4.847554522537211 | -4.6278732645352285 | -4.6542688979327735 | -4.730366715920074 | -5.030675730509813 | -4.839152108885761 | -4.560341399440876 | -4.511400840120074 | -6.045049307817261 | -5.567912291592117 | -4.471059381172333 | -4.5214305211535954 | -4.791726803150789 | -5.117175793870555 | -5.159748467295176 | -4.675040780391444 | -5.594464748514993 | -5.334544463700316 | -5.352885723166924 | -6.072695801712762 | -5.070849424969189 | -5.423189333650338 | -5.201934299062201 | -5.219182098295703 | -5.124800329661848 | -4.831878053453853 | -6.077669466679123 | -5.983096948219459 | -4.54148775606972 | -5.001184487386739 | -4.627072652374547 | ||||||||||||
| 124.04 | L-Serine [+F(-)] | cpd:C00065 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | -6.364118326110227 | -6.524742805088162 | -6.25904388551077 | -6.235287482498165 | -6.336305407685781 | -6.253697861271334 | -6.485334796658076 | -6.425732080918569 | -6.501838475034335 | -6.296918757672236 | -6.683927487532647 | -6.8943320644620085 | -6.71577671347397 | -6.520620374560992 | -6.2524226999975 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | -7.836974676333797 | -7.878311633685967 | -8.049912868898126 | -8.19261061184533 | -7.893658251893417 | -8.354637681007402 | -8.341351050757346 | -8.182604801098673 | -8.322797830044596 | -7.6851157152345655 | -7.844462198519082 | -7.545361177137991 | -8.333252226925993 | -7.915566035323294 | -8.38143404343812 | -7.483223390031201 | -7.867045561739789 | -7.24748773577325 | -7.990104947330575 | -8.070963697080593 | -8.445228054050014 | -8.275994997081149 | -7.786263164900862 | -8.405346196111108 | -8.278230384169868 | -7.774392359434696 | -8.114116204586537 | -7.814783182335915 | -8.195503488326677 | -8.141817650192552 | -8.100900326208484 | -8.003260758793967 | -8.326964380060875 | -8.178746762945229 | -8.246238324866654 | -3.2635562334467347 | -3.659784365962572 | -2.8574321678454333 | -3.4533719611018174 | -3.98060481233384 | -4.085077357475129 | -3.6782625132568607 | -3.620692944746107 | -4.2783462461831 | -3.7865927959793324 | -3.043656439825001 | -2.814011057594853 | -2.921568396631766 | -2.922937087412782 | -3.276652534481978 | -3.1285167263159446 | -2.8037034451307177 | -2.6861452274270863 | -5.125484918653781 | -3.830903933589697 | -2.5885854392876535 | -2.765041017981253 | -3.048641067035764 | -3.406049134313295 | -3.6501522202212358 | -3.1266172013684135 | -4.02408809673428 | -3.7022459650134527 | -3.651488725789032 | -4.397316648177453 | -3.7039657415890277 | -3.9420506475686126 | -3.516491727099639 | -3.60945272721645 | -3.3310762709535853 | -3.089010808261515 | -4.326356609253899 | -4.235959763826966 | -2.8807022532219895 | -3.4283789209420528 | -2.9619899801144327 | ||||||||||||
| 125.036 | Thymine [-H(+)] | cpd:C00178 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | -6.929716177408342 | -6.811619167167357 | -7.134904288395845 | -7.253757562543214 | -7.374141740560313 | -7.637633273705978 | -7.724944302604054 | -7.717797912595265 | -7.962464993197673 | -7.640922638223215 | -7.839691242570794 | -7.478531821448561 | -7.977721050489389 | -7.592496061967315 | -8.013863023010858 | -7.709115738931272 | -7.654329357497987 | -7.537849546425696 | -7.318140844446766 | -7.477120327703717 | -7.407318347428333 | -7.427789749463021 | -7.25415648146895 | -7.515637845331605 | -7.5233064200841175 | -7.420541525055065 | -7.326256718357722 | -7.311372154940705 | -7.636440267239791 | -7.513337179903868 | -7.361103088018594 | -7.407928181302 | -7.5468494849054215 | -7.606011447148464 | -7.549467323234199 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | ||||||||||||
| 130.087 | L-Leucine [-H(+)] | cpd:C00123 | L-Isoleucine [-H(+)] | cpd:C00407 | -1.1806505353794607 | -1.2812195094446848 | -1.279235108242388 | -1.2684311238894217 | -1.2131389913779187 | -1.244578634460234 | -1.1652759870855822 | -1.2490055950893488 | -1.2017984911645583 | -1.188509514669886 | -1.089613400943689 | -1.154525053881766 | -1.4153037465982807 | -1.352003942007791 | -1.3997397093247714 | -1.3059209911275833 | -1.3962177826374567 | -1.2293169405001645 | -1.3688736612506844 | -1.306537386652347 | -1.1712680243339813 | -1.3008614088195076 | -1.3823994501482784 | -1.3966638033198178 | -1.400166912684195 | -1.3536418471741407 | -1.390562200232664 | -1.2429824755719447 | -1.2269051888723406 | -1.2022637455260823 | -1.2571044063358736 | -1.1563834455032804 | -1.2888420552314837 | -1.1863391383089115 | -1.0666680764249181 | -1.0959673402317736 | -1.1715205276459841 | -1.247412688599124 | -1.1998278758657681 | -1.140199786679884 | -1.123096743538221 | -1.2696628222579682 | -1.2414948086647053 | -1.251879526008066 | -1.282287985321911 | -1.1886426408584558 | -1.2414956751890076 | -1.2824791142790384 | -1.3191768640810786 | -1.1981554829445134 | -1.1396927183158827 | -1.0819987023541588 | -1.1507344759041196 | -1.1028196400828159 | -1.088546647593421 | -1.080740735497796 | -1.0638135439205154 | -1.0437951359173852 | -1.1021482012817867 | -1.1426175841697452 | -1.1458138270653582 | -1.1126944277336488 | -1.0371335437282736 | -0.9697254305709435 | -0.9930280613967128 | -0.943401629220806 | -1.059197528178461 | -1.0496238033162966 | -0.9266493577711434 | -1.0043211483159822 | -0.9991696623401325 | -1.1097090276713508 | -1.0845958404225933 | -1.1023472174839344 | -1.0737774168275733 | -1.101288444191377 | -1.0867022782777356 | -1.0637407748811947 | -1.0880888919358107 | -1.1078637503856699 | -1.0799357320745515 | -1.097906315923477 | -1.1118600837895694 | -1.076304723042365 | -1.0866784956934545 | -1.0538574286584044 | -1.0547362552801407 | -1.0504995709091551 | -1.1051101371822134 | -1.0785173190971438 | -1.0668226407543822 | -0.9997945673753954 | -1.118235315233718 | -1.0267555194983717 | -1.0914910877284885 | -1.1528639535393839 | -1.1083238989764608 | -1.1284863488284702 | -1.0833867847973095 | -1.1021819474650625 | -1.082213183940971 | -1.1258093239920368 | -1.0821740883636453 | -1.1318940741416181 | -1.1146013488139732 | -1.0972530247836834 | -1.1635598326665877 | -1.1097087245370365 | -1.1054494056951085 | -1.0864161607736667 | -1.0603369835654795 | -0.9931075592776812 | -1.106474842137946 | -1.1429341801349926 | -1.0396880015357728 | -1.0570145595649676 | -1.0671733713947 | -1.128546301956463 | -0.9669451411899553 | -1.0817951389910268 | -1.057623384111836 | -1.0544322560536918 | -1.0436183873460525 | -1.071321453899832 | -1.0079388630405464 | -1.0402282923526383 | -0.9795705783309128 | -1.0120816979421532 | -0.9795215584265329 | ||||||||||
| 131.045 | L-Asparagine [-H(+)] | cpd:C00152 | -6.771276106930326 | -6.668079082342561 | -6.097052896518225 | -6.488663505679588 | -6.05800779277462 | -6.095006624220879 | -6.48403543686496 | -6.572628467045051 | -6.742489958754752 | -6.289540751568737 | -7.617872475651091 | -6.587731997449492 | -6.064747519590893 | -6.177137861097237 | -6.241319011799506 | -6.179191785583591 | -6.195308808475924 | -6.258476819205717 | -6.398755188986332 | -6.37539708764846 | -6.4943742807815585 | -6.56013792113401 | -5.970747029333885 | -6.047313274261109 | -6.09899716995686 | -6.124983692826303 | -6.057780632917133 | -5.801334047818446 | -5.498884196250582 | -5.634035960395309 | -5.503138119502367 | -5.58168868414711 | -5.622274811662599 | -5.4349891096144916 | -5.449539776846167 | -5.491874784302482 | -5.503123457748973 | -5.325022878568916 | -5.626048186515618 | -5.404625709066706 | -5.418160806786073 | -5.625552554125688 | -5.38544897701553 | -5.185555948667677 | -5.489247402050283 | -5.530612358598829 | -5.564520901515268 | -5.504209330561569 | -5.39368392882924 | -5.355717816363172 | -5.435589576828817 | -5.403230489473934 | -5.410561345214917 | -4.407367726821592 | -4.046607338868243 | -4.551519310424972 | -5.824071936091955 | -6.113277223902527 | -5.905491490722549 | -6.458228023877502 | -6.650782232310161 | -6.659825531542963 | -6.495253308467839 | -6.508622824926725 | -6.627288490736946 | -6.8348637411959805 | -6.6217173543224295 | -6.571362970745314 | -6.565098510083259 | -6.4205912913557555 | -6.434689951985745 | -6.2601060067277015 | -6.396312378292815 | -6.210460024301047 | -6.353145764015062 | -6.546650711726503 | -6.363375941361079 | -6.2205577189417385 | -6.4219704090201075 | -6.204726821191218 | -6.394029164590402 | -6.135972154360814 | -6.218580980792395 | -6.410694002754519 | -6.332608123029117 | -6.237996649027993 | -6.195602703101266 | -6.304214088670433 | -6.3906145103657535 | -6.548828001556271 | -6.416607893794521 | -6.477175566289205 | -6.392524672177771 | -6.533081012148071 | -6.573510953879889 | -6.566705633648321 | -6.593341191188934 | -6.729773967362593 | -6.540574457735067 | -6.4202019707673115 | -6.541501074007045 | -6.728174654769749 | -6.336300458089194 | -6.619042138216268 | -6.442335830875981 | -6.533657896682319 | -6.529939995104447 | -6.579034803632068 | -6.566853300275849 | -6.563122471465361 | -6.628235282334482 | -6.607127391764086 | -6.429702292260122 | -6.122454723093325 | -6.524759722681446 | -6.544283254896467 | -6.538210594294297 | -6.61878178767967 | -6.894166727177175 | -6.636731646617932 | -6.494458977771148 | -6.668020918928083 | -6.429074598860577 | -6.3101565797462325 | -6.8479601770317755 | -6.7112004815256325 | -6.674191290212723 | -6.643428570340542 | -6.5404032712111535 | ||||||||||||
| 131.082 | L-Ornithine [-H(+)] | cpd:C00077 | -1.8867009901392124 | -1.7228409037121653 | -1.7290232334213604 | -1.664054806956769 | -1.4705266117376523 | -1.578266995438943 | -1.4691279229173053 | -1.3054028098738992 | -1.7790068552828124 | -1.5973604123849128 | -2.808772981895245 | -1.8089481886785197 | -2.7086808610386846 | -2.454728097701069 | -2.6313241917231096 | -2.687136763844573 | -2.1816776186979507 | -2.324909058006802 | -2.63876847240923 | -2.4067538955724963 | -2.6100841768871317 | -2.908991266107881 | -2.572720950207465 | -2.6318811684532326 | -2.358542996283484 | -2.5386912218268534 | -2.75009555053556 | -3.318592916853287 | -3.2758154159055075 | -3.1294974407594838 | -2.848435294347028 | -3.127262536427595 | -3.2455933495784977 | -3.1533923877425507 | -3.0428318343182936 | -3.2442372906595427 | -3.301492035252813 | -3.485592842995506 | -3.209435291541619 | -3.1474965858383563 | -3.068464727719185 | -3.660312844634559 | -3.296417956044699 | -3.7143340810749845 | -3.1109291179254774 | -3.1469027306313504 | -3.489072798956979 | -3.3823246274175376 | -3.4969761541563225 | -3.3435031623546014 | -3.3389085229310704 | -3.0803403757892562 | -3.3769056216473103 | -4.126922117566612 | -4.061350365988041 | -4.2214480378551515 | -4.190335868399944 | -4.22659002745676 | -4.213682920720173 | -4.247467839429349 | -4.334142186862249 | -4.386698006832589 | -4.40765678376808 | -4.52134367883566 | -4.5018625769542835 | -4.601410935120222 | -4.455196942164945 | -4.430655840015067 | -4.457774508899496 | -4.267537842769498 | -4.265848455993998 | -4.010434708871911 | -4.078962386847706 | -4.0702439091428495 | -4.215574809546984 | -4.031438315307026 | -4.263850095966585 | -4.288234467683905 | -4.169560731660391 | -4.1235952662649495 | -4.134758142353635 | -4.199396750074397 | -4.273636734472867 | -4.21476788680338 | -4.111851867084965 | -4.253909637320923 | -4.240609746408814 | -4.1993225540271215 | -2.403208603707861 | -2.256907761896476 | -2.2283872275929775 | -2.7860370732271686 | -2.349203616253384 | -2.5092485443231896 | -2.7715474762074637 | -2.5852348421878406 | -2.5433987302493186 | -2.3988811675597135 | -2.619075793368969 | -2.4686848561553614 | -2.986824464994304 | -2.851618324136927 | -2.6284548810285204 | -2.836266794869113 | -2.884772628694231 | -2.473180101216552 | -2.5274068724358014 | -2.6980344589754597 | -2.7465692616611928 | -2.830953370418541 | -2.9869286412526512 | -3.077750696486421 | -2.7739338219848086 | -2.7677493034302105 | -2.4742696328987313 | -2.7992917631299044 | -2.500089910604244 | -2.5397778341632264 | -3.0176099643786447 | -2.7939990897659106 | -2.87617787996125 | -2.8264213402584857 | -2.531874534463201 | -2.775965358639926 | -3.2481677744510558 | -2.6849334399685545 | -3.683361139340292 | -3.3900192545181183 | -3.7667564108716647 | ||||||||||||
| 132.03 | L-Aspartate [-H(+)] | cpd:C00049 | -3.608945566598533 | -3.519566007200789 | -3.545915759081842 | -4.105844594643145 | -4.2931294441793755 | -4.371166698280271 | -3.668035401285038 | -4.228928426955814 | -3.7601382949779674 | -4.2139826548123 | -3.7592688655757245 | -4.328004336796011 | -3.943707104595032 | -4.487508120164229 | -3.832980120313006 | -4.187413725647223 | -4.528498630706265 | -4.303137884993722 | -3.6148382580638327 | -4.289205532474739 | -4.1895535275338736 | -3.8459643783722184 | -4.586633438533518 | -4.3855827006807075 | -4.82913955426306 | -4.7819637572551335 | -4.321582394230506 | -3.851224574603898 | -3.675430980155066 | -3.9548401070023793 | -4.4109498134811345 | -4.035137249374263 | -3.96177380991079 | -3.905317683558803 | -4.3567406427654936 | -4.18574597669429 | -4.028691104239362 | -3.83033981217172 | -4.281975817579144 | -4.202973888234228 | -4.482960613016198 | -3.4269105669455038 | -3.395290969716946 | -3.2435487368790517 | -4.1978003370536525 | -3.70458432666986 | -3.8117341585155624 | -3.7579202490709593 | -3.320430586392893 | -4.100110962905188 | -3.7680700798641866 | -4.459087333854869 | -4.058145920909675 | -4.693905046577889 | -4.630248958550608 | -4.626841229171839 | -4.8194059679816394 | -4.798956306033729 | -4.766263602939511 | -4.639590424193694 | -4.608946945039149 | -4.556644640660579 | -4.748700658555115 | -4.855507745363519 | -4.805320825424667 | -5.152786668995759 | -4.765597932027106 | -4.6120444609583355 | -5.170079976743796 | -4.73475288899421 | -4.761205669672527 | -4.492378429028869 | -4.438655882353041 | -4.540707824851207 | -4.540917809244486 | -4.452264606316717 | -4.530322442510415 | -4.617622725713531 | -4.457141822318891 | -4.570686265007234 | -4.700663305509323 | -4.6004148684371975 | -4.422861533273455 | -4.511805212133987 | -4.427771081212425 | -4.746629576075102 | -4.732344359798294 | -4.73177916124166 | -5.867752855075257 | -6.12494733505665 | -5.943055251648678 | -5.7095758465246575 | -5.116980060270196 | -5.807337014343727 | -5.343571065191185 | -5.466375248190383 | -5.623775559106079 | -5.519093648686404 | -5.405785898358035 | -5.357147566354914 | -5.568886620775827 | -5.4621357483227975 | -5.490194266898802 | -5.289839593797176 | -5.372840465651947 | -5.382332723903446 | -5.330632465911166 | -5.378240141007109 | -5.11582888750719 | -5.457614162678432 | -5.342748571019373 | -5.838373765802905 | -5.449371888514525 | -4.855897372109203 | -5.9371592109742695 | -5.548171153172368 | -5.64747627343143 | -5.729310268804122 | -5.6611467961455215 | -5.61870702014359 | -5.801262379992954 | -5.681298244262658 | -5.665300831837826 | -5.3011889119673805 | -5.5685578104919955 | -5.7278073119592205 | -6.285518998397038 | -5.883498763205577 | -6.055264935705757 | ||||||||||||
| 134.029 | L-Homocysteine [-H(+)] | cpd:C00155 | -8.961549053825028 | -8.974237286941115 | -9.007378893026438 | -8.964882486077542 | -9.21516011799635 | -9.496823873898636 | -9.901879918603836 | -9.796042067387617 | -8.301151531739283 | -8.710193601477172 | -8.801400734794441 | -9.417081677487827 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | -7.402771268106946 | -7.034811068989688 | -7.251025302807002 | -7.812599709001192 | -7.199641456237363 | -7.362794573342688 | -6.781766273930566 | -6.74206421371838 | -6.997780890164989 | -7.031551728740668 | -7.287449241602783 | -7.161556413121662 | -7.03096868573755 | -7.467476719317695 | -6.7099294039461 | -6.62814893071031 | -6.4861804755544865 | -7.3891509383771705 | -6.734597388633501 | -6.895349190012026 | -7.086950261410617 | -7.135466134908829 | -7.160758669823338 | -6.831017723583005 | -6.832102201797845 | -7.055283537248632 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | ||||||||||||
| 134.047 | Adenine [-H(+)] | cpd:C00147 | -3.1661525280997562 | -3.004108179322455 | -2.942643315240439 | -3.054533699552048 | -3.041479498592142 | -3.0912673815571297 | -2.76725428687559 | -3.184135366375972 | -2.7740258076403936 | -2.9666464351878576 | -2.691907936821446 | -3.085728572927585 | -3.1540952070261445 | -3.21081038828314 | -3.1100255909558974 | -3.136631665596102 | -3.206126266007037 | -3.132327491872951 | -2.894855209245803 | -3.0079332482556085 | -3.145427225261444 | -2.7605910500867075 | -3.243166034106897 | -3.211266473997529 | -3.326018440686082 | -3.2880532968181524 | -3.250773644024391 | -3.909455266445631 | -3.9550280001086655 | -3.984114218109723 | -4.12114114812419 | -4.037053953028293 | -4.173898980311827 | -3.807367773349123 | -3.883618188809366 | -4.073795112210046 | -4.11756777495967 | -4.414679328037424 | -4.136913222819566 | -3.8618904822221607 | -4.109984948289682 | -3.7496612233496607 | -3.7123545424862807 | -3.6365891399198222 | -4.0074619366666715 | -3.7542286211125537 | -3.9773224271625516 | -3.9253029164676914 | -4.0447002119248 | -4.030728989395436 | -3.979453601725358 | -3.759504100867028 | -4.0224907387006965 | -4.04703643098945 | -4.056488000263482 | -4.173538441520296 | -3.9863009610225695 | -3.999859441936038 | -4.157246887867434 | -3.9010661861282108 | -3.879118697094399 | -3.9774096962198366 | -4.288044242687978 | -4.368938603000647 | -4.427790886826373 | -6.297482134142849 | -5.822523723991329 | -5.914537746413215 | -4.656310245684156 | -4.205345072304518 | -4.195866622948854 | -4.0578801620750475 | -3.947249546689558 | -3.940260464180753 | -4.023211831213496 | -3.8586834116964037 | -4.090416271944271 | -4.0197719920838235 | -4.0148330882041225 | -3.9957960095934926 | -3.9543746717636066 | -4.064081487311509 | -3.9757947315700113 | -4.004401119256717 | -4.019165944017594 | -3.967668212213377 | -3.947836368220264 | -3.955541178932971 | -4.359909650050206 | -4.343504296662978 | -4.454043761579261 | -4.182455860899284 | -4.125288856459226 | -4.1293344953707765 | -3.9518027163243783 | -3.9935492679736564 | -4.1117412327985265 | -4.022758218933574 | -4.116304654139833 | -4.086865514668359 | -4.174970855787775 | -4.16951984631206 | -4.064575145953302 | -4.2843686989005025 | -4.15702104203761 | -4.1749180562002195 | -3.605719844975288 | -3.883867581781327 | -4.210767226728518 | -4.126510039245305 | -4.132203784112246 | -4.213824948400212 | -4.029909787837228 | -3.967744106410592 | -4.048698547233964 | -4.1481084799280685 | -4.200660437453085 | -4.107200753055222 | -4.055953478037992 | -4.301876381258227 | -4.334612708719936 | -4.08438924876723 | -4.174747595295192 | -3.844512729441306 | -3.9331593697879135 | -3.9609583978124276 | -4.0095526540977495 | -4.040149927116873 | -4.0055279508867025 | ||||||||||||
| 134.061 | L-Proline [+F(-)] | cpd:C00148 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | -7.730847668876077 | -7.771321112000498 | -7.722796571547797 | -7.686653971321053 | -7.786741714491822 | -7.86231306536708 | -7.945079818732406 | -7.883423229315094 | -7.916800241203303 | -7.898616646066557 | -8.0983149346237 | -8.109410749489205 | -8.853499376328331 | -8.462004666160666 | -8.554337457785048 | -7.944378605401509 | -7.440584084081545 | -7.335280082431982 | -7.818940518326519 | -7.524721696909699 | -7.76279818907194 | -7.800466727536944 | -7.698981099858072 | -7.772109785633516 | -7.812360789852065 | -7.798626313915572 | -7.755844238811321 | -7.746741592701591 | -7.721205095855621 | -7.808735267587087 | -7.796941306717585 | -7.687648414438641 | -7.7245202076864485 | -7.845039736209624 | -7.732616542406956 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | ||||||||||||
| 136.077 | L-Valine [+F(-)] | cpd:C00183 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | -9.012568768511029 | -9.127940990900754 | -8.953914761974394 | -9.004603908694055 | -8.51577159288458 | -8.62148741675023 | -8.91964707288204 | -8.656692904606123 | -9.052974002290604 | -8.716289237387349 | -9.367106791775756 | -9.333537284785187 | -9.335465372794868 | -9.084790994330335 | -9.10769426285492 | -9.127954126446406 | -8.663698500327211 | -8.827633837208786 | -8.65221297182268 | -8.627880692215598 | -9.008587049908288 | -8.703304254729618 | -8.026495328678653 | -8.219653550293945 | -8.234794654783588 | -8.443906995857226 | -8.80203055495784 | -8.596779324797629 | -8.378368961144748 | -8.97066031332114 | -8.83356766222907 | -7.8574637273782795 | -8.848044705793592 | -8.411119975797089 | -8.403486686596631 | -8.64123034408862 | -8.953514652272736 | -8.29010576587215 | -8.485524119186918 | -8.028668225700514 | -8.313639104960831 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | -8.271794404488922 | -8.262280962013216 | -7.894067233058274 | -8.111299882738647 | -8.0740061242831 | -8.23513109659799 | -8.465079183374757 | -8.518195578122455 | -8.406356686522827 | -8.525799452509842 | -8.228071317043893 | -7.864017650771367 | -8.223495352672275 | -8.346035514766184 | -8.081764257279323 | -8.575109483821967 | -8.156000887608984 | -7.947200268615618 | -8.93509681851666 | -8.461463526034807 | -8.236359808289011 | -8.317178523344404 | -8.120913182149371 | -8.388103486840443 | -8.644841158910367 | -7.968742355466737 | -8.25355802336934 | -8.27447892904615 | -8.25974706161635 | -8.624654753672182 | -8.349309758856618 | -8.759209467916342 | -8.328854370590529 | -8.440064135980448 | -8.04824431533556 | -7.7712508490945185 | -8.353789459707878 | -8.495218678944916 | -7.740286889379535 | -7.9392463224548475 | -7.4895294168749516 | ||||||||||||
| 138.056 | L-Threonine [+F(-)] | cpd:C00188 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | -7.172627562000828 | -7.235840089886569 | -7.049202501508347 | -7.040766216107846 | -6.870142346217183 | -6.862590340394543 | -7.124203546983502 | -6.9460479485802775 | -7.063578815246444 | -7.082107799319269 | -7.8054015903986205 | -7.762777358433546 | -7.667575909751621 | -7.338947420538497 | -7.199621424301262 | -6.698526636548895 | -6.207116942082611 | -6.5491634457799215 | -6.566533419583413 | -6.342081070930786 | -6.722181348218473 | -6.2528097892559 | -5.825963560779261 | -5.967007974854304 | -5.974221735962221 | -6.10323494191796 | -6.477450606721068 | -6.264651392582143 | -6.031523640679873 | -6.534137489262748 | -6.285924203500409 | -5.719386145298713 | -6.590913555300617 | -6.097619325997543 | -6.094888672674512 | -6.473667531572858 | -6.406935786105501 | -6.050754599173637 | -6.202200001171468 | -5.774689030138092 | -6.092139349668698 | -8.748273411543996 | -9.001872861595125 | -8.82805995268566 | -8.859662335798483 | -8.630355773512411 | -8.854376311362342 | -8.919642588917728 | -9.114256125425605 | -9.20638603878657 | -8.847119060754705 | -9.056216285400986 | -8.90556586355609 | -9.486199325492246 | -8.996828764330905 | -9.225265302693032 | -8.932119876433115 | -8.910407658549234 | -8.874456050438322 | -8.788958556924873 | -8.738681435146507 | -8.77113032004023 | -8.945160824321983 | -8.432841652177773 | -8.957505898690217 | -8.885106294217046 | -8.711301289570603 | -8.746218769799576 | -8.844118862342338 | -8.919815594611089 | -8.641101062235828 | -8.914660680611263 | -8.761157879022715 | -8.821380179961345 | -9.071224528196796 | -8.639300706820633 | -5.630761015987794 | -5.747223002371637 | -5.35705244136831 | -5.5792404406478555 | -5.683557412677027 | -5.762583862682749 | -5.854835811824627 | -5.884723844922267 | -6.059433773607646 | -5.982755619996932 | -5.555737640037473 | -5.3453259202335515 | -5.649352912836082 | -5.693356653218544 | -5.534116410426661 | -5.897431485889712 | -5.513655084597005 | -5.379058764721907 | -6.321372932121428 | -5.938954989933378 | -5.517338269685335 | -5.6697434815543915 | -5.619552585163038 | -5.864773594179017 | -5.839962037704121 | -5.373265002542692 | -5.854349725098187 | -5.7279363889221155 | -5.694242290217212 | -6.15235502542338 | -5.717081350525633 | -6.1257404206215025 | -5.842817661429762 | -5.835679134177774 | -5.6132778768323295 | -5.164687146265555 | -6.028813380395683 | -6.124505064824362 | -4.9314876621808645 | -5.242542720309553 | -4.875328236121928 | ||||||||||||
| 138.98 | Acetyl phosphate [-H(+)] | cpd:C00227 | -8.773506888473962 | -9.22104376370869 | -9.54083218802264 | -9.166088453471168 | -9.587171481027534 | -8.826387096044597 | -8.827581520972034 | -9.180618289555659 | -8.855557738307379 | -9.335433849558987 | -9.000349330766305 | -9.523275762358477 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | ||||||||||||
| 139.975 | Carbamoyl phosphate [-H(+)] | cpd:C00169 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | -9.36921312097078 | -9.220756297033358 | -9.276919395401597 | -9.85533094314465 | -9.301918297321016 | -9.246900775570724 | -8.753161041907925 | -9.314825691704872 | -8.825655157867835 | -9.232112483855074 | -9.051736102844124 | -9.09315947641216 | -9.108806655626367 | -9.462341293472555 | -8.863241977502893 | -8.930595326364662 | -8.679449890210666 | -9.103249427068405 | -8.48625377764811 | -8.897996644226259 | -8.973612978700778 | -8.967984989068034 | -9.181748695963542 | -9.161296343824043 | -8.484552129458136 | -9.287519814006357 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | -9.188790713651995 | -9.232043621340472 | -8.995069815465254 | -9.176205058585484 | -9.023713590891063 | -9.836209930821303 | -9.355066173853317 | -9.246689667777874 | -9.751632111774432 | -9.034918212204996 | -9.137308387220324 | -9.309422284808845 | -8.858502857480245 | -9.232463200601957 | -9.478060640099681 | -9.347896843419674 | -9.075156380695537 | -9.091824842205748 | -9.165555115521057 | -9.295205543341128 | -8.878254873350683 | -9.313599805314436 | -9.059880678023713 | -9.70592789325797 | -9.114857256153316 | -8.809163601623073 | -9.461585754649937 | -9.342055479499495 | -9.506149255606728 | -9.720274921964425 | -9.087167265681778 | -9.481171221820432 | -9.459399616890451 | -9.548300451190473 | -9.385334067984717 | -8.740208804598614 | -9.219735748859106 | -9.437803755979813 | -7.880400322383617 | -8.025596305578413 | -8.213745125495606 | ||||||||||||
| 145.041 | Thymine [+F(-)] | cpd:C00178 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | -7.665687569160556 | -7.901197459829022 | -7.694529670332434 | -7.501787133071003 | -7.525173931543229 | -7.597484480970365 | -7.594387420540606 | -7.018866823501744 | -7.55609077570095 | -7.546082170726865 | -8.486654551244476 | -8.405860946796336 | -8.140330194346097 | -8.016656559205748 | -7.8036161940567945 | -7.1848588541648875 | -6.78912158349311 | -6.944438307904105 | -6.842616334972269 | -6.786643699945306 | -7.154466018579005 | -6.7732900516859615 | -6.527093369883677 | -6.470714832449132 | -6.586806854638278 | -6.651372505716856 | -7.055628072873039 | -6.688907242876134 | -6.70026597419992 | -6.995920035920614 | -6.759308282791778 | -6.425403148286519 | -6.970359291220344 | -6.7578547668282365 | -6.757477713388187 | -6.943242280670669 | -6.830717749315492 | -6.696243285110139 | -6.656998649468909 | -6.402717012240406 | -6.6853813233634405 | -8.573190675689467 | -8.509330466274118 | -8.680524764537697 | -9.015277045251757 | -8.62546448823757 | -8.829829341348574 | -8.776929600632227 | -8.965173868759427 | -9.027077243672599 | -9.06729750641684 | -9.368800816518759 | -9.130418030393525 | -9.804516237942043 | -9.303559690045525 | -9.520855963613007 | -9.37224903291658 | -9.247377489562515 | -9.146144086951475 | -8.951524649675997 | -9.007969304973658 | -8.848447976636503 | -8.761666987040199 | -8.498690156425784 | -8.869156927240658 | -9.118867017837527 | -8.48356825614892 | -8.779074459398984 | -8.720930258597294 | -9.041039285423683 | -8.607481495440908 | -8.824819591291124 | -8.907763521597694 | -9.024340298670879 | -9.05690933896649 | -8.755648640334337 | -6.666183159674138 | -6.688339521357853 | -6.312561940987546 | -6.416246608917187 | -6.509529087094549 | -6.5724402592406195 | -6.765496497144273 | -6.8611941670448 | -6.911863561864317 | -7.101087892001513 | -6.53777093914605 | -6.343949713740717 | -6.743416768491052 | -6.712778776250445 | -6.463872419562516 | -6.8253863460867095 | -6.417089649807867 | -6.373216193982767 | -7.768990820314577 | -6.919110225531496 | -6.481756674115893 | -6.5714990468860375 | -6.601441773578808 | -6.694547289772557 | -6.829148221914605 | -6.3116591222973915 | -6.836951589431027 | -6.611928149283503 | -6.667667231773954 | -7.076306201116551 | -6.6742445657366405 | -7.309827223442242 | -6.751125709592973 | -6.709083846972451 | -6.587215308968115 | -6.138029049689729 | -6.983514342560817 | -7.0223425532943216 | -5.896827956089623 | -6.280803808530221 | -5.9102932795564085 | ||||||||||||
| 145.062 | L-Glutamine [-H(+)] | cpd:C00064 | -4.948961777884344 | -4.847149341745947 | -4.980924685087657 | -4.640481845276485 | -4.417701440292476 | -4.5082439318052945 | -4.403855203008117 | -4.481793076523166 | -4.713776276877466 | -4.651553347352335 | -5.191559507530576 | -4.502007481307818 | -4.600950562056207 | -4.577590814493645 | -4.8085744207753365 | -4.7804473947110475 | -4.621616731529817 | -4.796233118241412 | -4.841418364150362 | -4.726654173398744 | -4.936982264711458 | -4.923925496459904 | -4.631902851790754 | -4.551030069712165 | -4.673254091595619 | -4.715553556072657 | -4.687060355145645 | -4.617540601900975 | -4.248260604640789 | -3.963018768371802 | -3.832416802598344 | -4.103085874917335 | -4.278765257152788 | -4.627580505906838 | -4.355917083529944 | -4.453186685634416 | -4.144363339969008 | -4.203840512519032 | -4.42299779496995 | -4.036935427968679 | -3.8011184990265408 | -4.799666377912187 | -4.0288112900209265 | -4.735234874293598 | -4.077415036551547 | -4.824010954183024 | -4.598220210266868 | -4.239311517006444 | -4.297999795666377 | -4.094094420974525 | -4.131360161119782 | -4.445814513160602 | -4.039195880739406 | -3.5175525249490134 | -3.4303723638989623 | -3.5010113089084185 | -4.235958464345732 | -4.446417534613531 | -4.154021987909446 | -4.941928369457879 | -5.026167452644014 | -5.033803606295825 | -4.782834354237809 | -4.825926820434088 | -5.136156028238438 | -4.969230830116455 | -4.7025998419383965 | -4.455676201902179 | -4.943677220303303 | -4.701905035377898 | -4.702866321794309 | -4.556682919701513 | -4.752868053902295 | -4.547555118860284 | -4.757792711099552 | -4.929733717467946 | -4.629725110859147 | -4.520155393829028 | -4.875762276126271 | -4.500910044069592 | -4.687118731249687 | -4.320084558922952 | -4.44135750836962 | -4.529756662300952 | -4.65144669710086 | -4.4558716704679 | -4.530465668900741 | -4.627678048611306 | -5.0645166646561774 | -5.091059629920554 | -5.232017148476843 | -4.742591376965146 | -4.624830332966366 | -4.692718994003804 | -4.785955604263631 | -5.151936248142207 | -5.126495239328572 | -5.264733181218607 | -4.9696702138555455 | -5.09148352736634 | -4.850335570413089 | -5.56670892558046 | -4.5966166919343365 | -5.467848448751096 | -4.859293049690957 | -5.504749510773258 | -4.412172679288447 | -4.683768377609561 | -5.370883148995833 | -5.1256532225835025 | -4.73627110146819 | -4.862647429613827 | -4.637531302822635 | -4.608176789528987 | -4.648688742094255 | -4.699950521347714 | -4.762622972360471 | -4.807887554508472 | -5.272375863724509 | -4.718006778347939 | -4.67284080339231 | -5.25011402062646 | -4.735665576804068 | -4.89933670360349 | -4.990385289886219 | -4.730858715672421 | -6.09760504457732 | -5.553806810943498 | -5.752104316950778 | ||||||||||||
| 145.098 | L-Lysine [-H(+)] | cpd:C00047 | -0.25562962786385784 | -0.31370323721148347 | -0.05972729275894506 | -0.24965426611825584 | 0.07121485941176305 | -0.28341419122047795 | -0.1376103793979101 | 0.08689501265025903 | -0.46694157105139544 | -0.01702435045341061 | -1.806498973619741 | -0.3019546756091693 | -1.03878843806814 | -0.7379165420361176 | -1.1296014074895855 | -0.9229171285932773 | -0.6999869520916205 | -0.7006603384864877 | -1.0805364615668902 | -0.8820617412822459 | -0.7961886089239895 | -1.4030284154307207 | -0.9326396843118142 | -1.2766831654631432 | -0.8831958285590176 | -0.8784479075116479 | -1.2003385701978029 | -1.832347239726063 | -1.82841220845036 | -1.5881972733739336 | -0.846087057712325 | -1.686639370070201 | -1.6135571908908242 | -1.749748624788548 | -1.777645238644889 | -1.9751764023230711 | -1.9977802985976214 | -2.0739457243471837 | -1.725217195577433 | -1.7329306371355635 | -1.5669948885891596 | -2.2361920787677487 | -1.8891527299432447 | -2.528968627549036 | -1.3492753639623465 | -1.8032306200771397 | -2.0880705702603537 | -1.863068130611207 | -2.063272205166792 | -1.8479319076571903 | -1.9556141069230284 | -1.7653033526945987 | -2.002881298144739 | -3.256275662806536 | -3.167716593437262 | -3.1574636395214584 | -3.1841530074561906 | -3.222342419863287 | -3.156746161096349 | -3.248962903589026 | -3.3227265445879537 | -3.325219360630297 | -3.344568261012594 | -3.4965141587556996 | -3.3989275998663824 | -3.2437410072554447 | -3.289937040393372 | -3.290392902000267 | -3.2014283452080576 | -3.3589566927669297 | -3.332210557227064 | -3.3373886137778395 | -3.291646511235379 | -3.217138333108748 | -3.269322769842382 | -3.3974713967940438 | -3.263251816884492 | -3.254815618037835 | -3.2647956291828546 | -3.1748840036840638 | -3.245207089748961 | -3.2090371896780536 | -3.314855011970595 | -3.2600213703928707 | -3.218109798184134 | -3.2791598019925003 | -3.295532056869427 | -3.2586375542235237 | -1.4290088626979311 | -1.1680192174282504 | -1.299211648813338 | -1.82914572370592 | -1.316648158063453 | -1.476327334331308 | -1.8180820747058304 | -1.5362436344624042 | -1.4543438309027918 | -1.3098793733678995 | -1.6221247972576673 | -1.57300477183568 | -2.0650887506403937 | -1.9265032294971132 | -1.6551040299205706 | -1.9138963253666017 | -1.925284506735842 | -1.4756145763399597 | -1.3542506813559287 | -1.6308039828852572 | -1.7859143685483638 | -1.9653234578461014 | -2.0002644762965573 | -2.1116435901531094 | -1.6851229333087356 | -1.8711694022460927 | -1.4858293970008056 | -1.8417444858665546 | -1.4968019901290903 | -1.4411769383192379 | -1.948875923832501 | -1.7424279266604474 | -1.864607033512319 | -1.9348616245025234 | -1.5808033802431138 | -1.8249317398510572 | -2.1901083538436454 | -1.6494399457029587 | -3.1853775271864118 | -2.595265900157946 | -3.1883571595190703 | ||||||||||||
| 146.046 | L-Glutamate [-H(+)] | cpd:C00025 | -2.5114699624671846 | -2.4609032193701488 | -2.451864244311235 | -2.8780919006493524 | -3.0055697919211632 | -3.175622306497952 | -2.5891611886899932 | -3.0166279414899093 | -2.709247610552021 | -2.92225302993093 | -2.6118322337442286 | -2.8876177729290426 | -2.7321772060811536 | -2.9738991922909 | -2.650733826538262 | -2.747066269875594 | -3.0682976656527314 | -2.814040399038822 | -2.223473109348835 | -2.7829780283002754 | -2.674557112756252 | -2.3417255835236723 | -3.191342369272506 | -2.8915678510033387 | -3.234163746163276 | -3.1702238659916664 | -2.880217521346809 | -2.7591680488566204 | -2.6356383995986756 | -2.828052827834573 | -3.0688454473578037 | -2.93021178606635 | -2.7312658812189063 | -2.8154261023606746 | -3.1891906467152666 | -3.122205364139395 | -2.883371624674124 | -2.6734215545256275 | -3.1279080588284356 | -3.0966215124591865 | -3.2423613739846133 | -2.4210324989156025 | -2.479081184227169 | -2.255907668867008 | -2.9977485866885503 | -2.7433331438337887 | -2.73521706284251 | -2.711239195151765 | -2.300375276683895 | -3.0011357297606325 | -2.770825559746899 | -3.361613003915736 | -2.964815141342074 | -3.1765026153287117 | -3.1501003542840023 | -3.1421806425700556 | -3.194909539510804 | -3.312963392204429 | -3.251489711439047 | -3.273836530363129 | -3.234144216347075 | -3.0996918744410276 | -3.369330737242971 | -3.390084678382515 | -3.399994687300771 | -3.4662287597236294 | -3.2527250615155148 | -3.0868722905619403 | -3.591447401671419 | -3.2653791311002407 | -3.298671844175553 | -3.0550710177196168 | -3.008632875968093 | -3.178542570994062 | -3.158505466682885 | -2.9796517497200883 | -3.0531699490860524 | -3.138061186800026 | -3.0479406756172103 | -3.241741711871491 | -3.1982021794531414 | -3.204895100502268 | -3.0034237034532243 | -3.037523576602391 | -3.014021853439395 | -3.2390945193677023 | -3.2879023257771296 | -3.268130038583322 | -4.1447647164075585 | -4.396382835832383 | -4.340845339240838 | -4.301632408971202 | -4.098217474311604 | -4.279923398848723 | -3.886842913708714 | -3.90512867294381 | -3.972333456617353 | -4.048944234066859 | -4.017406236627535 | -3.9403984166265027 | -4.177725823081826 | -3.9777910346161627 | -4.022082014637953 | -3.8127770671235686 | -3.9273853398742555 | -3.916351219896569 | -3.8004575949031576 | -3.9533103786946495 | -3.7844789579901876 | -4.046463480045491 | -4.026051710566279 | -4.333290536600581 | -4.008434861023264 | -3.5867725548962275 | -4.295518143808717 | -4.14024531256624 | -4.225206356449914 | -4.086927375943441 | -4.760320367260482 | -4.111057913255857 | -4.287363260635998 | -4.1751232759321475 | -4.131698566294261 | -3.9896246230651204 | -4.121016321657628 | -4.1646249603947805 | -4.791284570049536 | -4.442902871862904 | -4.679259381298737 | ||||||||||||
| 148.043 | L-Methionine [-H(+)] | cpd:C00073 | -6.244434427816706 | -6.281678081310286 | -6.352190393102158 | -6.235491383842206 | -6.1768164208178975 | -6.288836828684495 | -6.161217870899256 | -6.183800019302208 | -6.199287144726377 | -6.0899443072327015 | -6.388225387432599 | -6.037613189259591 | -5.637369405999328 | -5.861102888590435 | -5.7732947248165996 | -5.7915687978620385 | -5.825281594051154 | -5.787806176213495 | -5.985743054192191 | -5.8557398237341545 | -5.987646891369638 | -6.0583417868939105 | -5.6503997801740224 | -5.8024877754657025 | -5.800889988895225 | -5.785147581285915 | -5.706125602369076 | -5.405753801185007 | -5.355454032032624 | -5.3077090405332426 | -5.400255693375699 | -5.381816758537818 | -5.318587540501793 | -5.242595229452193 | -5.360188191308611 | -5.315116485346701 | -5.216634566682884 | -5.088811254649732 | -5.358042941750918 | -5.35911459589111 | -5.377192572024015 | -5.09037540459901 | -5.069915042723054 | -5.110039958407137 | -5.1331790415983285 | -5.213843478762068 | -5.169751309815313 | -5.111969966264674 | -5.123790093673115 | -5.1815001047459965 | -5.334030255482917 | -5.395983175974328 | -5.279863046106173 | -6.091548478030967 | -5.972862162858215 | -6.019372579822831 | -5.966618127759527 | -6.087461718308932 | -5.894183589785667 | -6.073889508017038 | -6.133826154102352 | -6.126123101677868 | -6.348321530809142 | -6.2487400544045615 | -6.174317298860021 | -5.9949386997572 | -5.9028183145854 | -5.8670354042851915 | -7.270579232332779 | -8.852501580304628 | -8.746783225601435 | -6.068288072407766 | -6.098435371719261 | -6.0349027985875 | -6.077480359125739 | -6.135192333432924 | -6.026172418844086 | -6.027687425748313 | -6.076180390888873 | -5.940317827667803 | -6.08573424224559 | -5.9793935418647886 | -6.0756963397907455 | -5.983791287578868 | -6.044986511715321 | -6.012527726439151 | -6.055945102721372 | -6.079215855619564 | -5.517364475780883 | -5.621721538355128 | -5.347274731366545 | -5.616214139798942 | -5.639313326662345 | -5.818272610726393 | -5.6366541400220544 | -5.58154492712758 | -5.822633337256027 | -5.645755411733563 | -5.494597509025883 | -5.294573283313012 | -5.412782671093641 | -5.311882960820824 | -5.518902945438143 | -5.44312706713869 | -5.228468137481456 | -5.370113708930746 | -5.9409906113675115 | -5.716832893388765 | -5.283610334391812 | -5.241323607024469 | -5.477423995200064 | -5.651513231054346 | -5.505262316703503 | -5.448775626543966 | -5.806088689162854 | -5.692428922185756 | -5.641973466718633 | -5.810722262455177 | -5.410205266671958 | -5.501322630039981 | -5.600950267063731 | -5.532173799669287 | -5.582593889477296 | -5.407531075958277 | -5.988918710509322 | -5.842108884371343 | -5.4541328196274 | -5.760780513062588 | -5.550623731354916 | ||||||||||||
| 149.046 | D-Ribose [-H(+)] | cpd:C00121 | -7.422381756081425 | -7.441393894236687 | -7.315758101090973 | -7.383482183212703 | -7.280031023338844 | -7.371060156224972 | -7.313058470218313 | -7.517769544864675 | -7.568452661551997 | -7.914666052340675 | -7.957794158464739 | -7.790133906090847 | -6.924653847067695 | -7.454792190707764 | -7.205690359406107 | -7.051167520362532 | -7.125077555758424 | -7.243160855814089 | -7.349996615005936 | -7.479849061616797 | -7.59149667120299 | -7.340804244337226 | -6.570489439963586 | -6.95516686381732 | -7.027675446736565 | -7.042796906794834 | -6.851197485961863 | -5.301213218083726 | -5.055970794026077 | -5.264802692008765 | -6.390955512382653 | -5.51528250620028 | -5.305578958300006 | -4.7267554535760645 | -5.144278055252577 | -5.693955019873335 | -5.364765829195816 | -5.205093715151165 | -5.329185523306542 | -5.428106692007966 | -6.097996212997996 | -3.977718879361867 | -4.348002453098256 | -4.273661335177899 | -5.700388766752854 | -4.688273936088592 | -4.871551799195709 | -5.0769620428237605 | -4.7824768677878815 | -5.447881904798992 | -4.739500539139515 | -5.810368417050376 | -5.375037989438553 | -7.2005899299470695 | -6.93806220130107 | -7.044492301786935 | -6.4647416429412585 | -6.63488083886028 | -6.785604730103316 | -7.512826890252275 | -7.6976878463115925 | -7.77293428325127 | -7.027925489066744 | -6.8631246875251675 | -6.986361165985584 | -7.686362323762662 | -7.393998159966578 | -7.346210613021151 | -7.451487695937572 | -7.131774534190119 | -7.0199109277939575 | -6.543215199971258 | -6.492573771465829 | -6.816531898126328 | -6.983526168843071 | -6.636228276389383 | -6.645980867960047 | -6.60070255952067 | -6.755139863710666 | -6.755214434046495 | -6.519762041925214 | -6.777520957259481 | -6.684312309465418 | -6.603582764890755 | -6.606356453433397 | -6.503841424820461 | -6.66546287381892 | -6.7329983013399906 | -4.160266100514416 | -4.9966204446742495 | -3.822187118223161 | -4.8273200245889125 | -5.36934592797974 | -5.637526676329345 | -4.693536369584939 | -4.738624731555398 | -5.838556396050705 | -4.737392759853449 | -4.194747110903428 | -3.8363997675365447 | -3.7109579017408945 | -3.6427637240251878 | -4.660531354825392 | -3.7550794103248046 | -3.6386613406334214 | -3.5956595652035883 | -5.838065158641893 | -5.406145564094236 | -3.2734713556251056 | -3.590417513257339 | -4.0764040747859465 | -4.692717268680574 | -4.548802400754143 | -4.0396322599384105 | -5.895104012502601 | -5.245384060229855 | -5.103188868085948 | -6.03755431412816 | -3.7226621574360723 | -4.521593127543316 | -4.820679003530312 | -4.384741096899543 | -4.4954865282204555 | -4.361515185226034 | -6.311003920460757 | -6.198547797265429 | -4.193860310717883 | -5.128137802203818 | -4.720089389335024 | ||||||||||||
| 150.042 | Guanine [-H(+)] | cpd:C00242 | -8.448562322368538 | -8.49384654935643 | -7.99122721901317 | -8.466018553331773 | -8.550692979115462 | -8.383549555360945 | -8.495771543427276 | -8.46180957467628 | -8.86304813176061 | -8.887712710548499 | -9.209509839778379 | -8.934261329026358 | -8.701852271654927 | -9.042623736057237 | -8.700655256900559 | -8.714417058492089 | -8.728249993625507 | -8.750891901482268 | -8.924416911099234 | -8.97794284961848 | -9.054826219166168 | -8.933558255730409 | -8.142417360012114 | -8.557582837336414 | -8.522210671594307 | -8.546257953878516 | -8.52030842720427 | -7.632265682433867 | -7.719553450428625 | -7.680441920430373 | -7.746456481012158 | -7.821199680143313 | -7.616256399130886 | -7.443598607008873 | -7.635628631342526 | -7.658576549278546 | -7.6372894782636624 | -7.714159769263478 | -7.733420373037294 | -7.807463759083606 | -7.76131618411452 | -7.247092180836966 | -7.482242316772128 | -7.346724687544095 | -7.688543510151791 | -7.47885143724681 | -7.624331136838899 | -7.5591178112016495 | -7.413648009053039 | -7.694573981666902 | -7.6573539954484104 | -7.599675917637177 | -7.739444943037713 | -9.037092735265045 | -9.108426648555406 | -8.89004057758125 | -8.779364733432448 | -8.847022758129247 | -8.869775330882176 | -9.217269798699744 | -9.316839905333582 | -9.130451481238328 | -9.176509666441993 | -8.944271284938525 | -9.120949350713111 | -9.035652890283187 | -9.116935164149636 | -9.002225032335437 | -9.146942687222243 | -9.413155788933397 | -9.378832932291116 | -8.762189069725926 | -8.877565397461087 | -8.947459973611108 | -9.103388349658301 | -8.885662987150404 | -8.925658538485736 | -8.72400035049117 | -8.941722195266701 | -8.873000369169034 | -8.80328547314672 | -8.890169646590769 | -8.752626813772995 | -8.843295991731921 | -8.709507923998451 | -8.732890169176464 | -8.806055029077765 | -9.094157660930678 | -8.55864432007148 | -8.657351977173473 | -8.39774088850916 | -8.651054887613503 | -8.83739694671231 | -8.734405507624867 | -8.638123566871878 | -8.63310298952558 | -8.803706184675889 | -8.497885798886488 | -8.565771417599851 | -8.42151775153223 | -8.484787789883617 | -8.645321574378409 | -8.657034172949253 | -8.670357098774657 | -8.497389246519594 | -8.626919940807289 | -8.41775358649914 | -8.8070971779174 | -8.444438655201543 | -8.6342341085938 | -8.75866724659983 | -8.691028953409761 | -8.477828041242713 | -8.37607321768172 | -8.930323706233025 | -8.665309101861205 | -8.666510970010062 | -8.81127310625429 | -8.27467424894851 | -8.60118027977373 | -8.865951129082108 | -8.497059115671322 | -8.772853046119629 | -8.46632207373927 | -8.723390937902034 | -8.812719993391037 | -8.4065592995207 | -8.683546635277843 | -8.541168329933683 | ||||||||||||
| 151.051 | L-Asparagine [+F(-)] | cpd:C00152 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | -6.367868093273943 | -6.297404289538427 | -6.196630911227974 | -6.228608885766551 | -6.123891234373522 | -6.01883552406606 | -6.3600176545664056 | -6.181751523413432 | -6.218431038942537 | -6.332718059461769 | -6.9724213775109405 | -6.90623777236435 | -6.730963483579184 | -6.578213970710368 | -6.393574313814735 | -6.242418791969653 | -5.887962278961905 | -6.076747995414476 | -6.055196507100266 | -5.8298582170860795 | -6.19707747517048 | -5.868997465094805 | -5.274714882500175 | -5.4732138049543 | -5.459822786446656 | -5.6796172406028775 | -6.024020342655924 | -5.882461330419279 | -5.4914221496543565 | -6.260411145181099 | -6.047027241425618 | -5.394374815491183 | -6.102531600705488 | -5.8112366534963025 | -5.670194901953483 | -6.018949082403093 | -5.931022780757218 | -5.630390506169941 | -5.820265120817041 | -5.402055259983797 | -5.774126247350728 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | -6.012789725478578 | -5.783744178682226 | -5.475820889000237 | -5.790110283580579 | -5.759201284760732 | -5.803592367697204 | -6.020469230405345 | -6.056250646641581 | -6.037359258822842 | -6.115534660741453 | -5.826063647011362 | -5.550600889143623 | -5.942990833327365 | -5.971650142723378 | -5.895973360304938 | -6.098167920676846 | -5.809786704301655 | -5.772846750229812 | -6.282737594303698 | -6.274082530997562 | -5.779817738424717 | -5.91606974310379 | -5.9809646665006495 | -6.027613147853332 | -6.031786560578779 | -5.832504841854661 | -5.9471008705466595 | -5.854853462078775 | -5.783487214136165 | -6.202148557736602 | -5.669226022777717 | -6.19251197854142 | -6.060698272435082 | -5.860741576415638 | -5.812298574664221 | -5.491215327288639 | -6.092356372043342 | -6.21936277055059 | -5.478175177334326 | -5.817741462186039 | -5.4295801597518025 | ||||||||||||
| 151.087 | L-Ornithine [+F(-)] | cpd:C00077 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | -4.071984145326746 | -3.7859515131506063 | -4.00598040348547 | -3.8812693891642605 | -3.8339780352057082 | -3.9623452507016994 | -4.1848304343097915 | -3.8093570213934242 | -4.193644553524105 | -4.168111605696724 | -4.737321636916911 | -4.561911020641419 | -4.284311724029696 | -4.170278970332045 | -4.1299035133299595 | -4.839760721421594 | -4.628513941557272 | -4.728701568921871 | -4.364811106272963 | -4.4559096362437955 | -4.763249596430738 | -5.102171517165376 | -4.113643089025146 | -4.742111887499957 | -4.3330127551469255 | -4.239468108244823 | -4.800384868800931 | -4.510112373062105 | -3.923669590236122 | -5.281411817956173 | -5.192806282605114 | -4.551315559320634 | -4.559780741735859 | -4.899252189769437 | -4.623394179643845 | -4.601809046115956 | -4.6445082452228394 | -4.072146757699803 | -4.716645898141517 | -4.344689356915441 | -4.457661664903964 | -6.415732333431496 | -6.173572043365841 | -6.356772650594845 | -6.157684762103947 | -6.105994469978671 | -6.497618923029475 | -6.772876797405513 | -7.0354571546702145 | -6.824600956409049 | -6.81068107710347 | -7.05959025247865 | -6.903756916488393 | -7.448709167121447 | -6.820413309055463 | -7.24610870945786 | -7.425668006355853 | -6.783118901345537 | -6.58017987622035 | -6.199276329714004 | -6.232238109617276 | -6.197685997216586 | -6.539288444386605 | -6.175015880704715 | -6.309860847041306 | -6.213041610197615 | -6.076258946547687 | -6.300322425913473 | -5.9054056384403575 | -6.5032337660296395 | -5.866449374921655 | -6.199325775364309 | -6.2268319069518645 | -6.137192237627295 | -6.1491566106196744 | -6.284087218757698 | -4.562523648262838 | -3.995884958913964 | -3.9266874721161202 | -4.506786594078389 | -3.9634284060214195 | -4.455349103928415 | -4.8016086861597485 | -4.464837794255091 | -4.336251208041892 | -4.712227341429314 | -4.519511153899778 | -4.204389089523017 | -4.893274891661224 | -4.58879910659823 | -4.6302952709587935 | -4.99580920962783 | -4.88627458340617 | -4.564964592936026 | -4.354279253544563 | -5.088510303704199 | -4.846414071475194 | -5.177208653243758 | -4.790893165114786 | -5.2050085499934395 | -4.640962836774615 | -4.872708601659726 | -4.45382142050137 | -4.603792153953099 | -4.410132821688926 | -4.747018258707725 | -4.194051658670373 | -4.808428932413036 | -4.875464569519568 | -4.348632559470432 | -4.658322868592081 | -4.343015094404092 | -5.041626516227613 | -5.091126358256343 | -4.904265326285675 | -5.180619570935557 | -5.152260244219426 | ||||||||||||
| 152.036 | L-Aspartate [+F(-)] | cpd:C00049 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | -8.170400953035559 | -8.288355884244245 | -8.263998537649064 | -8.140093727242029 | -8.12752593598654 | -8.077864758630064 | -8.34203222286598 | -8.133438353585465 | -8.479718181969268 | -8.271847475184781 | -8.164462932291364 | -8.169469547566298 | -8.28613481871709 | -8.205607065395517 | -8.150630044403371 | -7.1025119087344635 | -6.897087953670522 | -6.962079862583902 | -7.185322851517325 | -6.90763041930566 | -7.23605817157556 | -6.472665551664769 | -6.548826589823847 | -6.76621925309249 | -6.706923125277678 | -6.840592378784891 | -6.955273080263648 | -6.763559246491818 | -7.038804798732176 | -6.677747509728317 | -6.469940826005196 | -6.338733723771744 | -7.185375721769143 | -6.532091397337108 | -6.716666540757871 | -6.863836222848904 | -6.719618996467455 | -6.846040639825921 | -6.703929941707624 | -6.510135780846328 | -6.732189086624363 | -7.886181327058313 | -7.653970562576477 | -7.940959662716161 | -7.798188767858498 | -7.748886329906573 | -7.6330323743367865 | -8.01111884784968 | -8.12527651738539 | -8.31575058179083 | -7.677869896958434 | -8.14027734909857 | -7.9480567393879875 | -8.915063291029373 | -8.038789834593471 | -8.08832820644349 | -7.441169110419146 | -7.00460534905761 | -6.841255737430288 | -7.633059440251064 | -7.862020648581919 | -7.702659071096162 | -7.7874166301448655 | -7.851937292138519 | -7.7569088475811805 | -7.765973664257741 | -7.903709409126712 | -7.6516812916755566 | -7.670752712630202 | -7.690488363061319 | -7.757291604373361 | -7.852782468673139 | -7.703000711208789 | -7.780993084072511 | -7.7683047554538565 | -7.829581863361337 | -6.064207778489739 | -6.42901244641595 | -5.721659365873001 | -6.236884829619084 | -6.730845622552794 | -6.688671518362504 | -6.355388197144308 | -6.375395833446397 | -6.959073956822604 | -6.4474769302594925 | -5.970794118863199 | -5.7143325771228906 | -5.712461785241981 | -5.657209788663629 | -6.147965623039758 | -5.803949575391811 | -5.58667647127051 | -5.564478396243841 | -7.082399934156458 | -6.656248357526212 | -5.5251828855543685 | -5.64826681625678 | -5.948856008836867 | -6.291642445780985 | -6.184585608996426 | -5.869461210410386 | -6.803052390345723 | -6.483534444135908 | -6.511209252440549 | -6.992846941800533 | -5.906219309544097 | -6.289878564998283 | -6.3316419178896695 | -6.167085637400126 | -6.213172015316822 | -5.858076002793243 | -7.009265789877579 | -6.96532047116533 | -5.551424733371159 | -6.174866404769911 | -5.7940269987597155 | ||||||||||||
| 154.033 | L-Homocysteine [+F(-)] | cpd:C00155 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | -10.05527761606475 | -10.934581987506503 | -10.420773715930228 | -9.558097186839701 | -10.456454763914824 | -10.25886199972217 | -10.361941509558859 | -10.288080832516927 | -9.470010982871626 | -10.643966204458 | -10.448161553862299 | -10.576330829293266 | -10.793745389203965 | -10.71574275825836 | -10.391092034388631 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | -10.247080164495179 | -10.266991914986276 | -9.945524273303707 | -10.050022223581905 | -9.703500826247852 | -9.804285752636302 | -10.156432570410344 | -10.203289593408295 | -10.38287509521091 | -10.472623135953654 | -9.904412580720155 | -9.896537550269107 | -9.859445850498165 | -10.039429328828799 | -10.051447155089171 | -9.864353646335767 | -9.864085155232873 | -9.964155175652845 | -10.060006206554444 | -10.302983727723559 | -9.611073731393454 | -9.875657734525594 | -9.805514825281623 | -10.134152038627166 | -9.805053991402243 | -9.655780593869846 | -10.145819104133388 | -10.049875273962275 | -10.133332779941664 | -10.36874016056143 | -9.566210528423563 | -10.077913808301933 | -10.06260183780276 | -10.18020961694852 | -10.166117976563084 | -9.83148394887627 | -10.333948609493339 | -10.504938895832701 | -9.939568970790392 | -9.87400947882457 | -9.904988383526494 | ||||||||||||
| 154.052 | Adenine [+F(-)] | cpd:C00147 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | -5.606965950354912 | -5.41334088356569 | -5.374104706194129 | -5.4735392643492 | -5.334066236660228 | -5.466969602034115 | -5.348962451810957 | -5.292024117324732 | -5.580149888864626 | -5.293984637080009 | -5.306033508819758 | -5.479883065040792 | -5.422381934908297 | -5.395324423415729 | -5.186767150264768 | -5.026137750121532 | -5.026546150231351 | -5.370879593482432 | -5.3339258073635385 | -5.312223339205153 | -5.388998432156161 | -5.294385114980528 | -5.343115323743103 | -5.170873527427695 | -5.442257076707233 | -5.246488364411114 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | -5.439334676806072 | -5.901210364301758 | -4.987371010968206 | -5.728979971082337 | -6.369318324946622 | -6.504010164078046 | -5.890952848671861 | -5.878344953645435 | -6.59260668555627 | -5.9255499017994 | -5.258265375101497 | -4.906045521828979 | -5.115281802426364 | -4.979024007974711 | -5.557940579655181 | -5.115285863079853 | -4.950074467245253 | -4.907814460473651 | -7.136392276825621 | -6.277580521312666 | -4.707941643714129 | -4.7450682491252 | -5.161504984855485 | -5.421679624516433 | -5.806373943112205 | -5.436818000599683 | -6.417338686429552 | -6.021798787971956 | -5.910650970913343 | -6.866957899672786 | -5.2933680182028855 | -5.972118138813926 | -5.930734002209391 | -5.692227498800983 | -5.585849489520963 | -5.452536424300134 | -6.494142456996185 | -6.503566238293206 | -5.287170515539421 | -5.938035598887839 | -5.448477715225711 | ||||||||||||
| 154.058 | L-Histidine [-H(+)] | cpd:C00135 | Adenine [+F(-)] | cpd:C00147 | -2.58563919655166 | -2.628392735378357 | -2.3720818206368777 | -2.8858788259513273 | -2.714876814324213 | -3.144399428795354 | -2.768497761214402 | -2.769187128741602 | -3.2126281208109555 | -2.888110765003659 | -4.379296090150913 | -2.97333355751974 | -2.8659436817392905 | -2.99215543438167 | -3.0083873101667393 | -3.058479570637916 | -3.0314173928195913 | -3.0270529288670933 | -2.9613861599954157 | -2.9596266451402182 | -3.166951387023943 | -3.080927813227131 | -2.705930180369434 | -2.652158695283558 | -2.7718811496211084 | -2.8748979593748087 | -2.8443706114389755 | -3.4326032813408576 | -3.4287917791990306 | -3.1442733336585356 | -3.0775737483404897 | -3.234473685273745 | -3.2686527730964574 | -3.7332900639928863 | -3.747288437213828 | -3.8962847782002314 | -3.5389801560300107 | -3.441409412686844 | -3.45553265828104 | -3.402402942816696 | -3.303569750925983 | -3.6592616341199506 | -3.2391609590799653 | -3.6801383399540555 | -3.0364617623635595 | -3.750906501593737 | -3.6087732322467314 | -3.3246559370609363 | -3.408876699570743 | -3.3977687823451386 | -3.485176470679272 | -3.787388854092977 | -3.5197218617994745 | -4.614296156787196 | -4.461331240185565 | -4.47889304965173 | -4.484292842098986 | -4.577748054062963 | -4.442305192131302 | -4.641727298904711 | -4.74053156454772 | -4.727684544968378 | -4.790395620822534 | -4.724102795188558 | -4.8733355676147285 | -4.772897302045027 | -4.636101676969194 | -4.490399447790156 | -4.74149800534293 | -4.530232464738228 | -4.515212975573488 | -4.471727886294363 | -4.611845740441112 | -4.5706286740066 | -4.609629707603568 | -4.60068100746708 | -4.5234647042954945 | -4.529487968556335 | -4.579512697219179 | -4.557216722036279 | -4.5725162325850235 | -4.502189491207936 | -4.599114609407688 | -4.607593810710317 | -4.57001965159414 | -4.560729315436827 | -4.558004146173015 | -4.6338059346782465 | -4.57278640047823 | -4.627777045215785 | -4.672091806228653 | -4.6479588618808405 | -4.601251359833588 | -4.744887603366411 | -4.561775918070735 | -4.602274075535374 | -4.634805715302922 | -4.599955705976935 | -4.644332078992296 | -4.578794956324787 | -4.562383379875549 | -4.708136775353145 | -4.449917382100044 | -4.688652485113876 | -4.5185891328992795 | -4.658655834384768 | -4.374451947603033 | -4.431403462121737 | -4.4512718861807485 | -4.661593659111527 | -4.60016163594711 | -4.750938157126357 | -4.461440375675893 | -4.3296086039161334 | -4.537686742274441 | -4.560102228445806 | -4.529244306622437 | -4.622608751660983 | -5.124601269975184 | -4.47972898742661 | -4.568665486449999 | -4.711267452051678 | -4.557931189949735 | -4.54576505088442 | -4.580939069696541 | -4.504215588978839 | -5.3781789083880875 | -5.113456772184513 | -5.194205490003469 | ||||||||||
| 159.977 | Carbamoyl phosphate [+F(-)] | cpd:C00169 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | -10.045051413529277 | -10.341768322972749 | -10.149972278030022 | -10.616043154713491 | -10.509278349908973 | -10.357124752171458 | -10.358989614059253 | -10.722493110675975 | -11.08464984992159 | -10.54017591844806 | -9.693507784139733 | -9.634162307818341 | -10.143913753236259 | -10.338221895856286 | -9.749164388587305 | -6.384036981695389 | -8.010794607940374 | -6.398074421923464 | -8.054628272844662 | -8.233800070922458 | -6.708763934181293 | -6.021099052611112 | -8.230465754968892 | -7.726972581062751 | -8.278434656848903 | -8.570296513959324 | -6.658729981833398 | -7.736100104511968 | -8.137616477131782 | -6.309907256392451 | -6.206048660113994 | -8.076934558931846 | -6.447232200614187 | -6.016243403404127 | -8.172873050191107 | -6.4121122384981115 | -6.860313320649072 | -8.478107862046782 | -7.922351408379007 | -8.001748062434578 | -8.528796755005173 | -8.618520529297438 | -8.680676898886427 | -8.985861969768916 | -9.194362483143728 | -9.086986588368484 | -9.413213759347894 | -9.056817589657335 | -9.065904152070855 | -8.983260914004159 | -9.176878758484772 | -9.400305691148908 | -9.293269226107661 | -9.652536534039818 | -9.584353643577689 | -9.794781353563158 | -8.68112539190689 | -8.373781859789785 | -7.789988418177332 | -8.659392308861626 | -8.692169327150877 | -8.88635412399423 | -9.20534663629977 | -8.427043319742364 | -8.810204283655588 | -9.410363924781382 | -8.528553807341366 | -9.076695978801766 | -8.549075649919292 | -9.28977319458013 | -9.135601391210239 | -9.243952983366231 | -8.898148521467338 | -9.140663147253028 | -9.214894574936233 | -8.891561699874314 | -8.696713678133934 | -8.829028199041334 | -8.502722152879995 | -8.424420248003305 | -8.851120438472059 | -8.749450764392344 | -8.944496390717458 | -8.976810461066163 | -9.63478669557891 | -8.956286160838427 | -8.521713018350898 | -8.708284764576806 | -8.537955756040683 | -8.690344810204136 | -8.641618990847265 | -9.007190689595731 | -8.428113483186495 | -8.618062968252056 | -8.721309042332761 | -8.76086000909906 | -8.1120349675038 | -8.744897673604994 | -8.208367373036147 | -8.868764653897506 | -8.469370313719343 | -7.862789490581545 | -8.932648442084197 | -8.722355842172213 | -8.993684815988159 | -9.314821434659482 | -7.803657706273743 | -9.145373750225737 | -8.791158445825985 | -9.171656448161658 | -8.832424999022738 | -8.053437468501441 | -8.627605195404549 | -8.978893744431797 | -7.905774108959898 | -8.07058270750192 | -8.024100879786497 | ||||||||||||
| 164.072 | L-Phenylalanine [-H(+)] | cpd:C00079 | -2.359434824192039 | -2.238844969663467 | -2.1875519077775736 | -2.0597636149330416 | -2.0384549569420334 | -2.050610519806583 | -2.2683208032071094 | -2.0075620809375216 | -2.3209780600790233 | -2.2328090283248527 | -2.5118957287530317 | -2.0049538405181044 | -2.0621033897534646 | -1.9435839691674122 | -2.014269080546492 | -2.068637382706848 | -1.9220294488389773 | -2.1741952027171996 | -2.16571704649421 | -2.1198878607651093 | -2.1307437435829493 | -2.250609598936929 | -1.889704560711314 | -1.9746277584346523 | -1.8652787132942228 | -1.9415377531083169 | -1.9742838020953164 | -2.024269051444488 | -2.1172602956484576 | -2.005830030121164 | -1.8445185978033738 | -2.108646191738367 | -1.909415257005514 | -2.099150353011954 | -2.2379865610056506 | -2.26385084490604 | -2.1379725390608506 | -2.0576555265676615 | -1.9630252159549433 | -2.056690627645727 | -2.012781317032973 | -2.079581340571528 | -2.146611883074328 | -2.2378250832502316 | -1.8953153275181567 | -2.1598329837712957 | -2.045116859011629 | -1.9551717372581527 | -1.9940326094247858 | -1.9820525597964216 | -2.16664548711383 | -2.1527962844865844 | -2.056920942843494 | -2.075925980768779 | -2.045252200632389 | -2.027288380506974 | -2.003159386256622 | -1.9812493108993232 | -1.9507454653797995 | -2.057198519632516 | -2.1059006810780048 | -2.122467269956067 | -2.140018104089428 | -2.189816157902807 | -2.274173160486262 | -2.1701815920375136 | -2.1633446881985234 | -2.1564979987582475 | -2.148392812344217 | -2.049983151579366 | -2.0635579263913963 | -2.030883379870589 | -2.0500584167814884 | -2.0161675624374986 | -2.0798037152629094 | -2.134903506483234 | -2.065490887093723 | -2.0072000978288997 | -2.094579577865873 | -2.0052998527347414 | -2.0388972086879447 | -1.9842791765098207 | -1.9952788989363432 | -2.0626515673153536 | -2.0650056978994504 | -2.008605344657862 | -2.0126834730691194 | -2.011276084197513 | -2.126529677641238 | -2.149395830954656 | -2.265739833734618 | -2.4662259077298256 | -2.2264964257424644 | -2.329027783892401 | -2.304665762177803 | -2.1680193248043325 | -2.164037970723347 | -2.21099451913532 | -2.3694840427039834 | -2.3479028697324456 | -2.3399969024415235 | -2.2554786485997704 | -2.3289075742071765 | -2.2214556104865766 | -2.3447380837112823 | -2.3430953317025467 | -2.118298649629346 | -2.2620354549008534 | -2.4210977364298616 | -2.3358488245931706 | -2.377990017796431 | -2.4015602348184357 | -2.238301744227526 | -2.4068001613058887 | -2.251528412138874 | -2.350312517815116 | -2.3010656950380675 | -2.1255529355870495 | -2.5533896124390467 | -2.2402615664418866 | -2.2984466931470293 | -2.2931700904071795 | -2.3378216012726063 | -2.4988525829894597 | -2.378194413655937 | -2.262570722316105 | -2.587256501408226 | -2.417216824292101 | -2.6027558832441535 | ||||||||||||
| 165.067 | L-Glutamine [+F(-)] | cpd:C00064 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | -6.173291176176326 | -6.204647518639044 | -6.2526501667124395 | -6.106809748658429 | -6.042100055734364 | -6.006290216199919 | -6.278542329876457 | -6.121586393772771 | -6.329763087226775 | -6.390761076581523 | -6.603181293436856 | -6.622985944757292 | -6.507606054990661 | -6.3957518124230335 | -6.3287159835010645 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | -5.800878583733077 | -5.535653862154246 | -5.348437144130399 | -5.466048974835032 | -5.387195652612072 | -5.610629970999292 | -5.725053870762582 | -5.721731087706099 | -5.9144814838293716 | -5.809767028589132 | -5.50853535820785 | -5.3747059701960485 | -5.645817190311087 | -5.440618245715863 | -5.674877923042748 | -5.710570505227675 | -5.399137318203881 | -5.653539915978053 | -5.837492174136631 | -5.977754606183144 | -5.543648955823555 | -5.390659481166685 | -5.4334614060456685 | -5.4988561090601875 | -5.606461016795493 | -5.455296762521449 | -5.746594915344882 | -5.770855691984727 | -5.703421921807787 | -5.956277988564008 | -4.3728299024695625 | -5.6301920934515595 | -5.752330242023576 | -5.443363398809843 | -5.70504621138608 | -5.225804316441573 | -5.854936057739495 | -5.997126014530412 | -5.2428235837775325 | -5.503090537945331 | -5.4021792688149635 | ||||||||||||
| 165.104 | L-Lysine [+F(-)] | cpd:C00047 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | -3.827897401586027 | -3.4628485715666275 | -3.8099508990216076 | -3.682699111133983 | -3.556826112894991 | -3.6981542886522054 | -3.94867866708011 | -3.5598135043363306 | -3.9209260118677394 | -3.9182979566139693 | -4.435363360784198 | -4.242395664041263 | -3.9875383802419346 | -3.901103663161251 | -3.861020515214301 | -4.879664464618386 | -4.679576158031744 | -4.811774012904982 | -4.311969961312368 | -4.514519904089712 | -4.797935507129541 | -5.1252963884326315 | -4.042659735934381 | -4.781747084029851 | -4.374537849903846 | -4.274517643563634 | -4.739199943023058 | -4.604435085034314 | -3.8784397267232715 | -5.302669891862414 | -5.23269994949568 | -4.414571092067412 | -4.532775250886309 | -4.946670427169569 | -4.587755368447039 | -4.635760040948813 | -4.546170192993933 | -4.030284988788526 | -4.832571595048793 | -4.436332241010104 | -4.484662879982674 | -6.2466568970194345 | -6.045514695392144 | -6.184110852734248 | -5.954507498140097 | -5.905202514677069 | -6.241455461930564 | -6.632959436740082 | -6.723768980235696 | -6.703805916181502 | -6.4048099097235625 | -6.804596214466791 | -6.5253144881482275 | -7.4310055167873506 | -6.5845252513413675 | -6.875486948540333 | -7.212512613260761 | -6.432429461948178 | -6.313766647962414 | -6.073298939977387 | -6.147868260942829 | -6.055178609007051 | -6.393622093019618 | -6.059046755961591 | -6.089521768702239 | -6.184460730169892 | -5.901351126095092 | -6.13774975485533 | -5.840059881663413 | -6.3222234638865125 | -5.642253001168977 | -6.047297652786306 | -6.020246261442576 | -6.143977955220359 | -6.101320133983947 | -6.2543513744423525 | -4.335638887029882 | -3.716500554330669 | -3.712572634012186 | -4.437852746268195 | -3.706028064066098 | -4.268640248890042 | -4.775162280243267 | -4.274931338521494 | -4.179869742414475 | -4.539420230554496 | -4.3259344941886155 | -3.9989859482871104 | -4.824609437427044 | -4.3642551861166075 | -4.489531738715162 | -4.789303492228672 | -4.73439686741909 | -4.278068624905436 | -4.06541393865337 | -4.806388767350584 | -4.614583057480335 | -5.198776159098579 | -4.716699611908195 | -5.165813848635197 | -4.480295462778462 | -4.6987846532849975 | -4.362341440038154 | -4.483346045085319 | -4.26775095721976 | -4.492812647010709 | -4.07802175492963 | -4.6709309887485695 | -4.7390498323978685 | -4.233532696762484 | -4.544605507449475 | -4.131985979063036 | -4.919612584822901 | -5.1289414547839725 | -5.0632863837919295 | -5.114967140192074 | -5.268007334630444 | ||||||||||||
| 166.052 | Pyridoxal [-H(+)] | cpd:C00250 | L-Glutamate [+F(-)] | cpd:C00025 | -7.365971300367076 | -7.679393657218317 | -7.7199662613956415 | -7.572790425147829 | -7.322113174150065 | -7.199277387757255 | -7.35315639838515 | -7.461393493176898 | -7.454999578430167 | -7.438962934120409 | -7.512131022577746 | -7.583064451496762 | -7.759822308323566 | -7.872352593384556 | -7.758986063963633 | -7.673785712536145 | -7.710884516266566 | -7.681696176146066 | -7.804430219972097 | -7.687325321833947 | -7.898683299283744 | -7.7675094311596595 | -8.041370004342571 | -8.097612685524776 | -8.164677555816386 | -7.986517265470044 | -7.684512774509718 | -6.081037535539259 | -5.955263022256772 | -5.932582169438354 | -6.135164575511825 | -6.17477344408853 | -6.0401592219403755 | -5.607648663603206 | -5.739046644397286 | -6.006908988468851 | -5.833568028955131 | -5.7550892216893885 | -5.967164313061925 | -5.98980107375329 | -5.915185252403165 | -5.616886552339179 | -5.454731771790679 | -5.254568989546071 | -6.042056892586129 | -5.6086395860551885 | -5.891447147844566 | -5.846910864087386 | -5.724768786797026 | -5.866092476300089 | -5.809723261970226 | -5.731739648967643 | -5.730017544310634 | -7.338630307389579 | -7.650897036285729 | -6.980432702628058 | -8.400613742888877 | -8.860523361815757 | -9.155714257270908 | -9.11704420047598 | -9.451819530426391 | -9.398045740976622 | -9.092595984595292 | -9.202813643047405 | -9.287166919489886 | -9.565396719889304 | -9.261788238930366 | -9.368586843823456 | -9.393533391020616 | -9.102631075496465 | -8.862638389368303 | -9.054036505840852 | -9.041396392237166 | -8.959491010950913 | -9.066621308731678 | -8.834440416046919 | -9.189063465200649 | -9.160674049241585 | -8.938149009522075 | -8.983083423958602 | -8.834686905369422 | -9.297334016775423 | -9.182709681222448 | -9.026563426254517 | -9.106232458934794 | -8.94442737040342 | -9.169775014753881 | -9.125898587431275 | -5.6727220151198665 | -5.891768320688447 | -5.194926607726876 | -5.8331550749770384 | -6.122579274412522 | -6.236224897119834 | -5.872738973772908 | -5.7775041346205 | -6.481751101219148 | -5.971848644155282 | -5.462068034270013 | -5.254251495556821 | -5.363910853509586 | -5.288927874365641 | -5.669302838060138 | -5.499286911192843 | -5.200503476619655 | -5.286342263523005 | -6.729578427817827 | -6.187602963326859 | -5.156788723617116 | -5.254524831039181 | -5.522808475319653 | -5.888400883951372 | -5.5945286344740826 | -5.508490899512098 | -6.3224636552391535 | -6.047047596554454 | -5.920042644843936 | -6.526334600015657 | -5.331318505364224 | -5.731334166989825 | -5.974732688887466 | -5.68679386409641 | -5.721474504606205 | -5.4363507844674315 | -6.719229336264452 | -6.6005737530603925 | -5.368760312612462 | -5.871684122735419 | -5.489696039370009 | ||||||||||
| 168.054 | L-Methionine [+F(-)] | cpd:C00073 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | -8.397191071687022 | -8.198168777290565 | -8.427565402474166 | -8.236341927079597 | -8.203075898951289 | -8.471982307169126 | -8.1262307592975 | -7.979057449314349 | -7.935494812350245 | -8.076131051384094 | -8.26731677284855 | -8.367781882682806 | -8.18681908623516 | -7.959431987496263 | -8.430086869524986 | -8.241084478597942 | -7.830725953934719 | -8.39645205693551 | -8.075358120798354 | -8.051910976800754 | -8.262900636018726 | -8.128782511564019 | -7.993098720576214 | -8.017966240281273 | -7.863117442548044 | -8.043578649477586 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | ||||||||||||
| 168.991 | Glycerone phosphate [-H(+)] | cpd:C00111 | D-Glyceraldehyde 3-phosphate [-H(+)] | cpd:C00118 | -9.173104632817665 | -9.366851475036288 | -9.845040460797092 | -10.470111156327684 | -10.456218433225208 | -9.229495577953372 | -10.007212087270503 | -10.110371557436729 | -8.646215477635309 | -7.986692933131602 | -9.845635169230116 | -10.38176335088774 | -9.159704264148182 | -9.400774273594074 | -8.873403616693489 | -9.4400194238836 | -9.159415247685292 | -8.985545729474874 | -8.261863002512454 | -9.069833586965967 | -9.35796372588477 | -8.77444905058227 | -9.090322504931681 | -9.410365869309208 | -9.373107695538929 | -9.385375299816602 | -9.37919629837954 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | ||||||||||
| 169.05 | D-Ribose [+F(-)] | cpd:C00121 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | -8.040174377359625 | -8.041753932549378 | -7.648317038020504 | -7.748701824178291 | -7.611580171154657 | -7.674702661310486 | -8.319272145115471 | -8.330639428205828 | -8.321360476645014 | -8.523094323045445 | -7.952787019357634 | -7.601531639927726 | -8.26157619047155 | -8.012856870323908 | -7.64394101648447 | -8.361000618870095 | -7.802326819959897 | -7.595819370791024 | -8.67963392429239 | -8.281753743124082 | -7.851002654470181 | -8.050472112947284 | -7.935476305273815 | -8.120052821090646 | -8.373021252571146 | -7.411001470371372 | -8.12231467195654 | -7.940159291031822 | -7.975071477754695 | -8.553773927293223 | -7.743791728608267 | -8.644930973557473 | -8.019654988220129 | -8.387314179107122 | -7.877489608189608 | -7.12573738854265 | -8.374059892748129 | -8.452385083513686 | -7.276526350406455 | -7.492472490490141 | -6.941966867166271 | ||||||||||||
| 170.045 | Guanine [+F(-)] | cpd:C00242 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | -7.566274642461584 | -8.194120371011108 | -7.948800813088502 | -7.676410651373443 | -8.229006650888076 | -8.000881915687126 | -7.832943937727786 | -8.058655852116384 | -8.250051722548083 | -7.917483466054057 | -7.712821496783308 | -8.073645644990288 | -8.21231610148446 | -7.81942980904521 | -7.7286737728287935 | -6.82370517925219 | -6.750683785642834 | -6.748097136511522 | -7.100597052154415 | -6.789024906777964 | -6.991434662436484 | -6.55703934677838 | -6.715559374607495 | -6.674019769332868 | -6.734503217943083 | -6.849056460758321 | -6.824492823747084 | -6.768511717402713 | -6.827420755909266 | -6.885514088753389 | -6.52568773387724 | -6.640292187228319 | -6.847869855716948 | -6.702909899649787 | -6.8130257844751725 | -6.788837506632996 | -6.783744905432957 | -6.713826400001302 | -6.657643071540958 | -6.81834976375842 | -6.760991481726944 | -7.88539794835986 | -7.821175626153322 | -8.143200845049392 | -7.936141805126881 | -7.857061404163263 | -7.938699036332137 | -8.058180515977233 | -8.156063325966215 | -8.095847953937843 | -7.384168658705195 | -7.522749520315269 | -7.474365992371837 | -7.759563066480365 | -7.576099134702009 | -7.647547454754797 | -7.697485026618005 | -7.482550205569142 | -7.40267775781073 | -8.240322668916022 | -8.122595113179003 | -8.141933048576284 | -7.793552707063437 | -7.943044442154978 | -7.996701117564291 | -8.064024183504397 | -7.508974932739053 | -7.80069595520895 | -7.93225163302912 | -7.632723864321945 | -7.927589214627979 | -8.067065562113635 | -7.963504825877597 | -7.764696682977481 | -7.956455294046509 | -7.934070303329289 | -7.245009202037424 | -7.360111970884613 | -7.096024700913738 | -7.380315003225211 | -7.313501683491923 | -7.709156200716117 | -7.395915336659312 | -7.314030492893547 | -7.384680311341546 | -7.4970033314038 | -7.236695798956877 | -7.023045276251861 | -7.1367425533266085 | -7.162103414698702 | -7.223873706637212 | -7.245348757138576 | -7.182381188858317 | -7.105172622594403 | -7.671371570350621 | -7.452028459289909 | -7.174547535402293 | -7.1387557643758095 | -7.277516699040325 | -7.1869161729878694 | -7.323779946540576 | -7.02374259525348 | -7.41874062630374 | -7.42361179912484 | -7.385805818758119 | -7.523852632446416 | -7.6351598227309925 | -7.455631560126739 | -7.106846653226621 | -7.382968496332031 | -7.308322712326904 | -7.245176119418416 | -7.860386163895718 | -7.626346103244455 | -7.109272895735605 | -6.993583896729264 | -7.091213473315367 | ||||||||||||
| 171.007 | sn-Glycerol 3-phosphate [-H(+)] | cpd:C00093 | -6.860259352885917 | -6.936081160962005 | -7.11556029921447 | -7.57482662362565 | -7.513467700314854 | -7.362621395818735 | -8.030316672535351 | -7.93803592740743 | -7.812987485974461 | -7.976086017276296 | -8.804941327002215 | -8.402558044158518 | -6.700161302879842 | -7.278532173008895 | -7.567569545193729 | -7.3669567172323145 | -8.19305403818113 | -8.590728105757389 | -9.514307243666755 | -8.1120284644786 | -7.897755576243992 | -8.17747521787049 | -9.50416114967183 | -6.725261678630905 | -8.288568021739852 | -7.770342921470615 | -6.906650229402127 | -6.575175320868343 | -6.712103086376236 | -6.503255258244345 | -6.324632325313383 | -6.5204026264713 | -6.073202508685314 | -6.232954376822314 | -6.742929764215463 | -4.696586654459395 | -4.135115770259648 | -3.992273848720595 | -6.383824112048033 | -6.475151028308155 | -6.464509488636105 | -6.167979748739353 | -6.124526470325003 | -6.041579354140703 | -6.396106723213027 | -6.56076083545904 | -6.264588234476931 | -6.291734972264813 | -6.083650274083766 | -6.4707077920075164 | -6.297553562280067 | -6.762401333743862 | -6.251429248540931 | -7.293389245259876 | -6.813600926167365 | -7.044997598594301 | -6.7551240418725635 | -6.921362244878697 | -6.89593753523298 | -7.3298796179965064 | -7.63423558688328 | -7.9773022894610754 | -6.500402924593289 | -6.550535299129553 | -6.369351541730216 | -5.531704550516337 | -5.007073757905904 | -4.671475593085881 | -7.657176827463303 | -7.097966528174214 | -7.119940880877554 | -6.655678499943067 | -6.90360843643966 | -6.698727438493913 | -7.228634877860086 | -7.009720639729747 | -7.367498982133178 | -7.100948924348209 | -7.422007654795017 | -6.901988705857443 | -6.978704697092732 | -7.051266379915838 | -6.645107178915544 | -6.924733025264862 | -7.089712884494779 | -6.970352148903269 | -7.106340980257004 | -7.1140503853780945 | -6.560554354666923 | -6.642657247191432 | -6.70047050353733 | -6.50484791413305 | -6.3324686761110796 | -6.459867932909409 | -7.747061176742345 | -7.580463463451902 | -7.495732866659294 | -7.640093893909494 | -7.700447235697015 | -7.7705100928319535 | -7.376645657216746 | -7.369377667298639 | -7.226899831058618 | -7.071965600666695 | -7.238359881075794 | -7.015465630016189 | -7.568071163598287 | -8.19582018694093 | -8.38677229312726 | -7.262003133863182 | -7.216247752696986 | -7.307176847677233 | -7.02768834080973 | -6.985157305435345 | -7.256236300448615 | -4.919666822056015 | -5.085362531017134 | -5.679131893294917 | -7.584260095500029 | -7.321514062590227 | -7.233150810575857 | -7.042250912889641 | -7.155639341662631 | -6.9595572141027935 | -7.280246266347794 | -7.263800653679595 | -8.035841220084706 | -7.727454523508966 | -7.899531664364578 | ||||||||||||
| 173.105 | L-Arginine [-H(+)] | cpd:C00062 | -0.1800525805642181 | -0.040324690808628806 | 0.00882264974322714 | -0.01960328977788079 | 0.2551494974770118 | -0.045952195062389296 | 0.11550903704480218 | 0.24418955102394074 | -0.1321700761857219 | 0.07973338212492687 | -1.2887849928723585 | -0.1607457714077363 | -1.1744335018739462 | -0.9737491032627706 | -1.1934640360220303 | -1.040346928286005 | -0.7733413584013923 | -0.8386606751839346 | -1.1996259666000348 | -1.0568083042052963 | -1.003833589747559 | -1.5412755156064046 | -1.0159438200452404 | -1.2396648414752998 | -0.9487730335172756 | -1.0086996149401068 | -1.2885945930108613 | -1.4133431299204728 | -1.3364229111960062 | -1.1713734249569006 | -0.9068825787913289 | -1.2355438121503357 | -1.3862410767740294 | -1.2198295444610538 | -1.2085650832813248 | -1.3383087939484724 | -1.4554737831431808 | -1.7404322033127821 | -1.2947934277637643 | -1.193765208621589 | -1.1784375177168258 | -1.7996525949777578 | -1.3167211749309253 | -2.0026722603433416 | -1.2109743310817134 | -1.2026500827057438 | -1.6929761151707325 | -1.4988067712192177 | -1.6281193470191813 | -1.5359804017780645 | -1.4164266171365223 | -1.200547223096218 | -1.4793289163358783 | -3.037492521096385 | -2.987598062683133 | -3.099247167021916 | -3.0697627182312375 | -3.0002001353067507 | -3.0714331111955775 | -3.140261450068083 | -3.246224171666828 | -3.2571491563466415 | -3.3274297019043733 | -3.433317581571039 | -3.45364613285438 | -3.467579131680883 | -3.350799798096604 | -3.380564775364261 | -3.2770782015936932 | -3.140819469387385 | -3.1667716641070927 | -2.9476228854285536 | -2.9698261163610766 | -2.999973652214532 | -3.1120170587987315 | -2.9364697289538935 | -3.226212703692883 | -3.2425869029725067 | -3.126361848512335 | -3.104934540270212 | -3.0987789064178988 | -3.159552767211191 | -3.116068157467446 | -3.1826260317995603 | -3.0898176566912268 | -3.1816175295244595 | -3.2290781996157625 | -3.174364398426299 | -1.2168663865290756 | -0.9976011100765645 | -1.0196405392823318 | -1.703587980633835 | -1.1297349512192834 | -1.387131956918506 | -1.6690285951681993 | -1.4326886690012597 | -1.371365062873075 | -1.2147150700061096 | -1.4222021116548698 | -1.365949080716224 | -1.9066544178344569 | -1.7933485828157723 | -1.4539916154845818 | -1.7302414128777603 | -1.7805394989494807 | -1.2487658577114868 | -1.2851545457650415 | -1.4844442801030262 | -1.620475020767717 | -1.7500660624666322 | -1.9156223328415745 | -1.9868473051701678 | -1.6022703660612523 | -1.6540591843775025 | -1.28181314739116 | -1.6557647929081025 | -1.3180619039463979 | -1.3347694760923148 | -1.938184104931306 | -1.640290163974396 | -1.7226298400690596 | -1.748666965416082 | -1.3961481355384036 | -1.6140518645357491 | -2.1666675604297363 | -1.5132236763885683 | -2.8485479953668364 | -2.3765343566269714 | -2.876018113096431 | ||||||||||||
| 174.067 | L-Histidine [+F(-)] | cpd:C00135 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | -7.713819651498318 | -7.847661660088948 | -7.954630913913442 | -7.746434402448969 | -7.614845882065283 | -7.5877412096748404 | -7.93425874863246 | -7.741765824955595 | -7.76360520899813 | -7.922548686300662 | -8.338710687729812 | -8.395799304046305 | -8.18069211237549 | -8.085302417238692 | -7.987539964442845 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | -7.637020823379004 | -7.553539037395629 | -7.256375714560715 | -7.536164313042629 | -7.251430808219538 | -7.53625453708233 | -7.7276592643883735 | -7.815842115106887 | -7.731471873465855 | -7.777659499960681 | -7.536769316257789 | -7.372333260143728 | -7.703071066926934 | -7.651928542014661 | -7.47951884006988 | -7.9105333550870105 | -7.6171830283298325 | -7.567318004266979 | -7.8693077004250656 | -7.882913558355733 | -7.510400587808513 | -7.859842516320025 | -7.629962774016277 | -7.78281538106482 | -7.786245952546339 | -7.4663725101034775 | -7.703864777090712 | -7.642849172699876 | -7.495162683719311 | -7.813960630971099 | -7.296349832415808 | -7.92271427431651 | -7.8448629899959474 | -7.677231457812641 | -7.385301265905738 | -7.065955988429702 | -7.700620666073384 | -7.799927107059108 | -7.3472852126581305 | -7.563799659226428 | -7.1967988903922855 | ||||||||||||
| 174.089 | L-Citrulline [-H(+)] | cpd:C00327 | -10.179333334895691 | -9.972986010574912 | -10.013177234161061 | -9.862789137862434 | -9.968796751792118 | -9.29647613170885 | -9.390085118438892 | -9.50125048677015 | -9.323132834769199 | -8.900957804161472 | -10.234852472555582 | -9.202738456579924 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | -7.913433429848046 | -7.493352937939061 | -7.543687620978882 | -7.727506596482279 | -7.726893992611267 | -7.669103801682751 | -7.8135030335231725 | -7.748491270333665 | -7.8178339414536575 | -7.841479547766354 | -7.683158420048772 | -7.545871668545371 | -7.794308238147332 | -7.964487907935931 | -7.470578721560151 | -8.10371106081726 | -7.614648818638223 | -7.898520526053945 | -7.545325970910333 | -7.680435575027059 | -7.916966908045393 | -7.947999016829897 | -7.721266425928674 | -7.8029571628271235 | -7.571830727878469 | -7.494855841906279 | -7.560281138161512 | -7.727006176374582 | -7.71773262563391 | -7.701033721867951 | -7.669895192431637 | -7.857913296701228 | -7.694332923229612 | -7.920245616552698 | -7.60991459428472 | -7.59559939824715 | -7.964252367418922 | -7.862025848671245 | -7.817059821097623 | -7.887442278371937 | -7.7109347888330655 | ||||||||||||
| 175.026 | Ascorbate [-H(+)] | cpd:C00072 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | -9.451637456286134 | -9.928352867201575 | -10.221394465396028 | -9.817505946134885 | -10.343097577133465 | -10.20592876976858 | -10.230261279062947 | -9.994757817615785 | -10.165017021727438 | -10.368525339267267 | -10.038934271129097 | -9.869035497644276 | -9.976731891750338 | -10.26063417406342 | -10.048283880516763 | -7.853029540095707 | -7.75895371097689 | -7.592439379667649 | -7.896563552764129 | -7.8779642341638585 | -7.918486947578707 | -7.312429058397746 | -7.637560963082023 | -7.149442521782054 | -7.403355707893416 | -7.691862655606981 | -7.682103720774113 | -7.504937542939379 | -7.760710362472369 | -7.883478791459805 | -7.4340814556815396 | -7.712276493707812 | -8.285557238362204 | -7.551920651146702 | -7.783934578756651 | -7.7464140438656 | -7.541499932087258 | -7.784204035728137 | -7.416492912878353 | -7.306688211234682 | -7.1650655528645455 | -9.136446584476815 | -9.242662760186112 | -9.271993957007647 | -8.80623649052336 | -8.7500177979449 | -9.017080944687475 | -9.683651721601574 | -9.63718018916416 | -10.025946007635174 | -8.847672038282068 | -9.509672358669933 | -9.404963019033348 | -10.17682047777362 | -9.690099538886757 | -9.846007032471938 | -8.208434480321454 | -7.4593179678089125 | -7.5351263939464905 | -8.779615373925028 | -8.662889511036978 | -8.983818820994689 | -8.981789641464854 | -8.881319962322918 | -9.226192227265031 | -9.435256655610015 | -9.073649717671774 | -9.051834238091068 | -8.83930904735337 | -9.283843641417699 | -8.862348172310064 | -9.071391654422138 | -9.037807652815205 | -9.267504060447147 | -9.415889222717851 | -9.251716724971615 | -9.021874628832567 | -9.133175440033437 | -8.481917225467885 | -8.093763762467109 | -8.222109887488703 | -7.91147802030825 | -8.936576482038431 | -9.000754181849066 | -9.230026527691882 | -8.86387212788172 | -8.66742672470925 | -8.421653118059744 | -7.723935312208715 | -8.311859280751191 | -8.525523352772922 | -8.592652712847412 | -7.763830798244839 | -8.470082396496784 | -8.312979292900392 | -8.760427095022385 | -7.863106455534529 | -8.512270442578442 | -7.744361247637179 | -8.708074133000057 | -8.050954269951301 | -6.871113846185594 | -8.940714403859621 | -8.711213829001366 | -8.752420594069173 | -9.252257789513628 | -6.222681704613076 | -8.71952170381652 | -8.379871403306327 | -8.91012874254401 | -8.747532016231373 | -7.213722712996163 | -8.682572761741808 | -8.958536422418831 | -8.057589267806414 | -7.713886816709884 | -8.059724212756866 | ||||||||||||
| 176.936 | Diphosphate [-H(+)] | cpd:C00013 | -2.3715991716639864 | -2.787923416946847 | -2.9450423466178797 | -2.4720844305490557 | -2.671701410439392 | -1.9156747179413278 | -1.6242341675552614 | -2.352982470278757 | -2.2861369175106825 | -1.9054317111940187 | -0.7358613463615419 | -2.083901764741415 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | ||||||||||||
| 179.056 | D-Glucose [-H(+)] | cpd:C00031 | D-Mannose [-H(+)] | cpd:C00159 | -3.4547421932822178 | -3.338610946367609 | -3.2932939819209173 | -3.333493553461566 | -3.09963900885713 | -3.403633554761507 | -3.3244815674193786 | -3.405817773713338 | -3.6978386683472655 | -3.658481604776906 | -4.558842282103013 | -3.6423675824832515 | -2.735775598048815 | -2.8174200587267553 | -2.9541154760831168 | -2.8593513966752977 | -2.6954629491374735 | -3.0446676519642684 | -3.001107367089048 | -3.1344887954900607 | -3.315463628784584 | -3.0018570486099163 | -2.4667181845826627 | -2.346803055371793 | -2.5926612975115098 | -2.6457693237119457 | -2.615564361779315 | -2.252651463632515 | -2.064226483569391 | -2.1838478440341182 | -2.5637539598630332 | -2.306662177011146 | -2.3378273646284473 | -2.2007067118767996 | -2.5083423354744223 | -2.4634981202860358 | -2.4149913982900015 | -2.1704270115982007 | -2.3711818921676318 | -2.1588011444304724 | -2.4070076014064994 | -1.98381823103719 | -1.623517382639343 | -1.9664399674113 | -2.2757365782105974 | -2.37802729583378 | -2.586820361065161 | -1.9590160028431345 | -1.8164534141449127 | -2.304879921023771 | -2.023770086999317 | -2.7536808715359093 | -2.257491970583209 | -3.1440492313010457 | -2.7880800484724944 | -2.9205717584744466 | -2.9933062837672004 | -3.0452459848412783 | -3.04175593812739 | -3.649864715703184 | -4.004396914364055 | -3.8470036679008888 | -3.5120331685214627 | -3.4718855276208 | -3.588033167386321 | -3.646316712727572 | -3.5777650006569996 | -3.323267644133202 | -3.293590436847018 | -3.098852886818322 | -3.1086926301697364 | -2.762105914710171 | -2.910920670756738 | -2.9526573449365845 | -3.191112822982343 | -2.9359285982031027 | -3.1315048119789597 | -3.066070972093765 | -3.0495981395985905 | -3.074592165470306 | -2.9287355048246493 | -3.1080631034455903 | -2.9778343485758456 | -3.043347591012096 | -2.971370868690579 | -3.0687214460956693 | -3.0966267697606225 | -3.1592373879101885 | -2.9425730646652295 | -3.200182165581295 | -2.81326625376677 | -3.0065624926895733 | -2.3035715922700764 | -2.7012098831125333 | -3.2214163802526263 | -3.2413816464494025 | -3.468102602447776 | -3.453230131546536 | -2.9884446790369634 | -2.936913112465125 | -2.750181568707266 | -3.0006060519147475 | -2.8771459101926387 | -2.8899025211011904 | -2.5105269444934346 | -2.7216787018815567 | -3.096681279204829 | -3.4822063675920223 | -2.364232586697322 | -3.190613081725735 | -2.696149159439326 | -3.4639031804938125 | -2.911554803625852 | -1.7201625295017677 | -3.473553027954505 | -3.231145503410308 | -3.215688057102359 | -3.487659906657665 | -2.746291117919835 | -3.0593337939932224 | -2.9547588416750608 | -3.274922833634062 | -3.0894112989241247 | -1.9994132901256327 | -4.451741356293845 | -4.285645655214248 | -3.7366491449421093 | -3.3077084386327926 | -3.305796630653777 | ||||||||||
| 180.067 | L-Tyrosine [-H(+)] | cpd:C00082 | -3.791550260223008 | -3.6674113660061307 | -3.6380806178875775 | -3.4170231194583796 | -3.5797799081142543 | -3.5657122276791573 | -3.503486953668213 | -3.2980755805153295 | -3.6564876083345883 | -3.550130926764655 | -3.9010456984386006 | -3.2971900954816604 | -2.671410153293792 | -2.575270381657882 | -2.836601084093356 | -2.7851570830816605 | -2.555275317508008 | -2.736367897683913 | -2.756168033562899 | -2.669720093949904 | -2.94988564886405 | -2.883146963179965 | -2.6808004951522095 | -2.6047433873559913 | -2.6008239611717814 | -2.6653808091253484 | -2.728090928886518 | -3.50018838819373 | -3.608256515384154 | -3.629823181251141 | -3.1948014723193157 | -3.7625928561471293 | -3.271612444352133 | -3.587901121406613 | -3.8442708812957167 | -3.850789181194066 | -3.6136355169224186 | -3.278208878458971 | -3.527390111093001 | -3.7126056478460345 | -3.6645240612172008 | -3.465593524596289 | -3.6344734513626156 | -3.402036828575078 | -3.2748807532941626 | -3.58319056617669 | -3.417001648015769 | -3.357984843379102 | -3.2738054857414234 | -3.4767856199975156 | -3.758087606742128 | -3.7750883279008987 | -3.7384781905333018 | -3.718095073924816 | -3.7378050013862247 | -3.815588626293603 | -3.6705179591714425 | -3.6810571868693978 | -3.6904219373822 | -3.7530963112545517 | -3.7457139359757856 | -3.819749806287322 | -3.875146070215138 | -4.020192943194543 | -4.009067955740277 | -4.096909752148981 | -3.834981631840117 | -3.903211619597207 | -4.000577245685641 | -3.742149864449174 | -3.765380152387257 | -3.6127401292703527 | -3.7632142965986164 | -3.663794799312039 | -3.787997737501614 | -3.7078832978313927 | -3.7381563535633258 | -3.791457050386065 | -3.783745300672862 | -3.6939498597126796 | -3.7108717720265285 | -3.736471515991312 | -3.595838566805189 | -3.729119264037185 | -3.694556388300752 | -3.789514058341335 | -3.743156018899558 | -3.767261718704795 | -3.553435754431272 | -3.535084180513999 | -3.6033255441367804 | -3.922651178960496 | -3.5530634313955374 | -3.815015370766313 | -3.7255326305198384 | -3.5667498990288515 | -3.5319017622965245 | -3.6318221426180255 | -3.7933526818403784 | -3.67912889528395 | -3.884523471821698 | -3.6687068595396193 | -3.710976677537015 | -3.614684562153374 | -3.7817597321234917 | -3.621063212885905 | -3.6130642601692653 | -3.7614391735045283 | -3.8356053438834627 | -3.7754342042069635 | -3.8880159347923495 | -3.8723151337915414 | -3.7676303100994355 | -3.7771501295587635 | -3.7804350773589297 | -3.7556066266294112 | -3.7441494404437132 | -3.5414330852180247 | -4.306555262967879 | -3.7167915987788183 | -3.7826553357145065 | -3.796418582578288 | -3.767437006262688 | -3.894975862105399 | -3.9056919881541354 | -3.7856645345836553 | -3.976883428298846 | -3.9596968876614547 | -3.9007965004301304 | ||||||||||||
| 181.07 | Mannitol [-H(+)] | cpd:C00392 | -6.578987549447497 | -6.719465429142629 | -6.550004154057475 | -6.575767453537036 | -6.5136459710871275 | -6.206831874723809 | -6.510090876494621 | -6.08604354137266 | -6.670358793043327 | -6.529152738606721 | -6.75413662197523 | -6.348635677958307 | -5.595783347930471 | -5.6856346821597 | -5.764757284708116 | -5.748302916951225 | -5.654152025346089 | -5.634203330501111 | -5.83930826581657 | -5.759598559606763 | -5.844783197149145 | -5.941364403664195 | -5.652806263262188 | -5.764009990513789 | -5.8177152939946986 | -5.767030975475063 | -5.712637480133015 | -5.775644399827117 | -5.812321522522591 | -5.821326711528342 | -5.43901273004583 | -5.834452195660814 | -5.638728141944566 | -5.665742486197041 | -5.695859871992528 | -5.733091131317051 | -5.701769765568956 | -5.565252076095055 | -5.75677931678877 | -5.913242954053892 | -5.63921153391148 | -5.756587641814798 | -5.778867625057851 | -5.46502991072889 | -5.612289119761474 | -5.699717879714234 | -5.709691755924611 | -5.621946031541879 | -5.6033791871053955 | -5.5913990941949026 | -5.850008799163436 | -5.702529249168208 | -5.7845447765377065 | -6.611219214714746 | -6.58459297318954 | -6.641104532047397 | -6.532540525649386 | -6.65003135615636 | -6.702607359647773 | -6.7422577870262295 | -6.690223009720836 | -6.693257671136882 | -6.851428031155694 | -7.043773829914225 | -6.903935482064141 | -6.5137674653378745 | -6.749765924967164 | -6.874464965643719 | -6.542385309608278 | -6.581053518966966 | -6.567366412362876 | -6.5031356814997565 | -6.552019968717755 | -6.485193613701416 | -6.71039511457535 | -6.449723067237732 | -6.600197183907452 | -6.7175204149281385 | -6.677703640011147 | -6.5611683054887155 | -6.651083500220448 | -6.749908835802036 | -6.651405912095769 | -6.659769860652065 | -6.546649810467397 | -6.672344408774211 | -6.63567412404859 | -6.6581600329156565 | -5.978645709044652 | -5.917326334046719 | -5.869555034999869 | -6.225301424141766 | -5.997300695819976 | -6.149840246770862 | -6.227205805379167 | -6.1128359958626675 | -6.131170607940722 | -6.083716597658404 | -6.074472605479414 | -6.014830701118825 | -6.203809878159053 | -6.121572465971624 | -6.028861840089125 | -6.140972596640902 | -6.001598330852582 | -5.960104627220308 | -6.077118248489134 | -6.149829116615666 | -6.035069576205505 | -6.186349084428917 | -6.156056612304977 | -6.27873564602743 | -6.162623993935787 | -5.892990013966756 | -6.205412067106897 | -6.179331044617139 | -6.130239305129895 | -6.14271411802141 | -6.309099925268524 | -6.245275978563777 | -6.0939546144133665 | -6.221936068531545 | -6.127294344555264 | -5.954055124988568 | -6.240455392953278 | -6.261810766288564 | -5.861618148371173 | -5.891917620442513 | -5.830623652662957 | ||||||||||||
| 183.067 | Choline phosphate [-H(+)] | cpd:C00588 | -9.667219935755506 | -9.738082658497035 | -9.733594813171385 | -9.481710508173535 | -9.270047421138825 | -9.029042580924337 | -9.17206972645539 | -9.253894952616204 | -9.453458118523434 | -9.415773622105323 | -9.393788178161737 | -9.298967736087262 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | -7.826988557637259 | -7.850623542562983 | -7.397040634272395 | -7.5029491375640855 | -7.4524712780451745 | -7.634997894790373 | -8.121969145859133 | -8.0408591325146 | -8.12557824329436 | -8.451201960652169 | -7.823435158069626 | -7.468159078189181 | -7.957401544642906 | -7.908447895116376 | -7.540917858826582 | -8.122996141935381 | -7.816258694122717 | -7.4329801851190105 | -8.454914268966762 | -8.106712613603603 | -7.724831916552592 | -7.916917969742148 | -7.81133858464545 | -7.9719735164169485 | -8.180230547517075 | -7.347690665985621 | -8.018059985032897 | -7.906469220366435 | -7.943381240054858 | -8.249534202245421 | -7.339035922991129 | -8.379160581736393 | -8.075775095447431 | -8.025399813521089 | -7.666029745459553 | -6.982112760295489 | -8.144325070536729 | -8.27114849276928 | -7.17369288480836 | -7.309801934795469 | -6.891310569415639 | ||||||||||||
| 184.073 | L-Phenylalanine [+F(-)] | cpd:C00079 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | -6.144173985094682 | -5.862603754134801 | -6.151848916420989 | -5.934028314935432 | -5.820988709282849 | -5.77990730045369 | -6.212752889068924 | -5.739413203773599 | -6.158156657172523 | -6.218632043125029 | -6.796928971562207 | -6.862480284027286 | -6.473243038804962 | -6.31788335299338 | -6.250151302745928 | -5.776799077127287 | -5.605118217083716 | -5.595252044416961 | -4.797142467949858 | -5.521615645509563 | -5.499461244228916 | -5.832049220257472 | -5.339132255220196 | -5.727024627160786 | -5.377816222884376 | -5.057761722990646 | -5.52732788123108 | -5.575926672282537 | -4.7025346701969415 | -5.986302425721428 | -5.866760541524436 | -5.280541371767807 | -5.312179083438584 | -5.740961050644629 | -5.56116829463232 | -5.400499610550236 | -5.302962488953493 | -5.008629602490269 | -5.645967038678256 | -5.460775534429284 | -5.247740876546699 | -7.866218674588402 | -7.657368249749129 | -7.7923951669969345 | -7.649286435495539 | -7.822293346103382 | -7.772866767344175 | -8.121598945024527 | -8.22270438711617 | -8.290486438942484 | -8.091765933110128 | -8.261952344938098 | -8.066957552214992 | -8.566920550729725 | -8.121887898156844 | -8.302356771457386 | -8.264570399752596 | -7.9197526306471895 | -7.750752325306785 | -7.804674633619633 | -8.013793871553037 | -7.764347364758514 | -8.011459108994226 | -7.999440796251762 | -7.871270249077665 | -7.908836442175569 | -7.956038346859561 | -7.774691243913823 | -7.733773441208418 | -7.792026463394432 | -7.722046438573037 | -7.781054363151346 | -7.732728669377415 | -7.648662689121098 | -7.833620992219515 | -7.871243685463226 | -6.093769559362192 | -5.665354283566167 | -5.580197497921193 | -6.009850594269226 | -5.6504019902284295 | -5.982115325909351 | -6.199125450076705 | -5.882292522107702 | -5.955626992522421 | -6.038904847917048 | -5.9995436094076755 | -5.805505091379202 | -6.363782106319138 | -5.9767212005062715 | -6.186691648415419 | -6.321693500535582 | -6.207758960681627 | -6.162355269552606 | -5.757083256725928 | -6.425501896561646 | -6.286032937022064 | -6.455341901227192 | -6.180499541467611 | -6.538680190407686 | -5.958070151590047 | -6.2953753195287945 | -6.0358823350492115 | -6.114731082353788 | -5.983592905662627 | -6.097925386513127 | -5.590862293171771 | -6.113592666628056 | -6.391860470003194 | -5.789113235199401 | -6.210035641724362 | -5.907499441358517 | -6.383102830981704 | -6.388224456259592 | -6.411705161401946 | -6.681609727223565 | -6.380402122889137 | ||||||||||||
| 184.988 | 3-Phospho-D-glycerate [-H(+)] | cpd:C00197 | 2-Phospho-D-glycerate [-H(+)] | cpd:C00631 | -6.76942426632227 | -7.75580516355494 | -7.882589507301109 | -7.428743351043597 | -7.441004484853578 | -7.188768932753458 | -7.867653497818986 | -7.006426509684207 | -7.026518056488149 | -7.7415682589548265 | -7.810861591432213 | -8.722254233818342 | -7.4827947262442684 | -7.89861153340831 | -7.0292116420100355 | -7.422463229124476 | -7.732236137900315 | -7.695195773209591 | -7.5703844809891 | -8.069893883451078 | -7.755437920148346 | -7.486298899884575 | -8.122579657369604 | -8.007143686521312 | -8.495736811091243 | -8.223536503686363 | -7.964609706964625 | -6.8445230093410645 | -6.629574376851713 | -6.562356672357772 | -7.239702323805141 | -6.4091355046497975 | -6.468122335018335 | -6.309082751490896 | -6.554235737364534 | -6.8493538315012055 | -6.992736003161381 | -7.166724660568596 | -6.845807807490101 | -6.675893556242724 | -7.111696039202069 | -6.400940107612184 | -6.161138525752894 | -6.221284995884272 | -7.024849486232454 | -6.631951955577011 | -6.821083238463041 | -6.559302096613759 | -6.335505850619415 | -6.889470869226865 | -6.167714846874608 | -6.843096205620778 | -6.728852403879487 | -7.139912666730503 | -7.44796856371072 | -7.3728572308520866 | -8.087712613753613 | -8.16331813570642 | -8.4325805562685 | -7.994740859550801 | -8.13215667188289 | -8.21809805253924 | -8.92360567899777 | -8.954570021615403 | -8.568531662533708 | -9.090662243838274 | -9.083199967975814 | -8.909311470763571 | -8.833814435707927 | -8.766425149536621 | -8.849580427533967 | -8.44972302902595 | -7.908581256987779 | -8.232397567663703 | -8.051605047115789 | -7.328821378578584 | -8.275594678661705 | -8.57403935296299 | -7.884009787683131 | -8.460325879306883 | -8.078676148535985 | -8.649034600653145 | -8.609792586051087 | -8.430861252341701 | -8.173952664411747 | -8.7815353163669 | -8.862623103692972 | -8.440701225761302 | -7.145713809934596 | -7.216762908979753 | -6.916823713640056 | -6.995203551265233 | -6.974640421083155 | -7.1076901193883115 | -6.95633897762592 | -7.199235105050046 | -7.5014824710565025 | -7.5319049668386135 | -6.922546821292839 | -6.819878184161503 | -6.808996956090764 | -7.004831470721586 | -6.720970930924654 | -6.922628512758212 | -6.498925447597224 | -6.791857157817057 | -7.225277814338221 | -7.162602273488529 | -6.762373203753278 | -6.8744815827602945 | -6.973364313575958 | -7.243878656166167 | -6.897641926548127 | -6.206017182277301 | -7.293449132919389 | -7.0157419436121415 | -7.124799205530329 | -7.433530615163398 | -7.428777227984209 | -7.222528210165198 | -6.996247431928462 | -7.157951776286468 | -6.990000102229518 | -6.308041127422198 | -7.641592544448445 | -7.865103798768581 | -6.224648027495406 | -6.402325666017454 | -5.924871051500589 | ||||||||||
| 186.058 | Pyridoxal [+F(-)] | cpd:C00250 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | -7.740636964543825 | -7.855412885915489 | -7.905847761462113 | -7.566570036226083 | -7.668869537267558 | -7.663082038192118 | -7.754505275572959 | -7.715101385606916 | -7.852983339196579 | -7.9540257651524335 | -8.199836895910158 | -8.245285938477972 | -7.8996896850711655 | -7.966323911044516 | -7.859239088313781 | -7.383009183926168 | -7.155152360912522 | -7.127703424966582 | -7.003353382024174 | -7.126178238189765 | -7.147644103569574 | -7.059952595219391 | -6.823047402152814 | -7.037531023908192 | -6.940729533109965 | -6.788215322901584 | -7.1052872814121715 | -7.187459324109575 | -6.908514679615364 | -7.12075772705192 | -7.081093126297975 | -6.708710836787305 | -7.081913027480393 | -7.0044688569834985 | -6.987784519135743 | -6.978575988841629 | -6.934345387362682 | -6.895401794500398 | -7.064064019608267 | -6.893423060559631 | -6.9902847171524725 | -8.335988401949923 | -8.031274877698385 | -8.234728634503293 | -8.21646257248421 | -8.186751700990696 | -8.308607929546296 | -8.559187833977271 | -8.65482075820176 | -8.626689913861004 | -8.522250031973996 | -8.576861445648058 | -8.422132630316076 | -8.694582970840683 | -8.518991247482973 | -8.585746852728033 | -8.540651858844535 | -8.2370913048982 | -8.240119342735158 | -8.185444520005866 | -8.12891277794975 | -8.14933864085875 | -8.346599055597755 | -8.234893194528794 | -8.360422263944415 | -8.259861676201455 | -8.273702071339784 | -8.234945898572638 | -8.043630771103473 | -8.422061109482186 | -8.353587425174238 | -8.199377691669456 | -8.148708653074056 | -8.182740591847324 | -8.359765069665333 | -8.321287081419777 | -7.318436774608263 | -7.109055038228866 | -6.905933956074625 | -7.377193733080899 | -7.124520762734035 | -7.299078951526917 | -7.464034536294102 | -7.315442673665654 | -7.468877849716984 | -7.430929567779161 | -7.278870029332359 | -6.94505229894848 | -7.4173508977080225 | -7.101775125812772 | -7.345568771242327 | -7.4927265870660085 | -7.295610025330377 | -7.198301285358088 | -7.411836668431654 | -7.504395411144778 | -7.252086577499999 | -7.411405299097323 | -7.377465505636448 | -7.552234933783554 | -7.352965708678442 | -7.120897823617513 | -7.469543499847474 | -7.475835051155619 | -7.341709186472206 | -7.559846629220472 | -7.024265570723854 | -7.387788794966345 | -7.559533700414024 | -7.305054520734511 | -7.25762424113786 | -6.9955475241539204 | -7.633582467930753 | -7.706338192688763 | -7.147086146096453 | -7.253291730987617 | -7.104553867128877 | ||||||||||||
| 193.108 | L-Arginine [+F(-)] | cpd:C00062 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | -9.064660331588517 | -9.066070165345321 | -9.025869649347165 | -9.00704934057571 | -8.730780346049645 | -8.74715692061167 | -8.969063517514494 | -8.966008329115498 | -8.979897197663885 | -9.026607590522957 | -9.390428614583511 | -9.539956210264283 | -9.245546713551647 | -9.081330379312403 | -9.128958250954884 | -7.975177832871052 | -7.799795940117358 | -7.8907596629680175 | -7.9344533656502865 | -7.758367575162886 | -7.986746453750338 | -7.82351720908607 | -7.309446897826474 | -7.593850963139098 | -7.574932305459486 | -7.749632924804082 | -7.963996291885187 | -7.774008520756718 | -7.476456191228656 | -7.921002570940682 | -7.890273475506789 | -7.455309999796134 | -7.9371386540269215 | -7.696315710151007 | -7.728131991943177 | -7.78187392219797 | -7.6976205045288815 | -7.605909042761908 | -7.775481222039488 | -7.414559969081767 | -7.808375119226239 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | -6.330541762697902 | -6.277993468151324 | -5.9593488018185985 | -5.0457807882289245 | -4.86923582973923 | -5.148019681438002 | -5.442515295586781 | -6.031506470959788 | -6.679062358470555 | -6.476903737844314 | -5.53987988304749 | -5.62834674216179 | -5.982886275040062 | -5.669090432032489 | -5.958016579773044 | -5.795484365878302 | -5.316021935617029 | -6.06412909868269 | -5.9070839046506896 | -6.291355105837335 | -5.513906370585153 | -5.7838917588744065 | -5.161980187157905 | -5.173196707725799 | -5.508524298609596 | -4.831951599117707 | -6.346736591609868 | -5.979971465947882 | -6.342884975983849 | -6.401138026575462 | -2.7434274178357545 | -4.849530066107059 | -5.886206457037226 | -4.9602901669885755 | -6.344983491736918 | -4.62699367259505 | -6.17788692120372 | -6.30505198396611 | -5.064332551392026 | -5.075458724273593 | -5.064105122480972 | ||||||||||||
| 194.094 | L-Citrulline [+F(-)] | cpd:C00327 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | -6.733670835506208 | -6.5319281768398625 | -6.839848510884942 | -6.536617490684966 | -6.487355776660232 | -6.39677095727371 | -6.777503522892774 | -6.450308100030791 | -6.795081173105949 | -6.824872592840175 | -7.402389007645931 | -7.393081474571185 | -7.1319701965907045 | -7.048353108025452 | -6.849094041606859 | -6.929242100222835 | -6.823310679218792 | -6.881799407836511 | -6.24036688836302 | -6.690663268763633 | -6.67271023456636 | -6.932043025829192 | -6.298456376070981 | -6.716611923363133 | -6.394292574574332 | -6.2036709301365995 | -6.787553284314124 | -6.7665363201869235 | -5.958414706787405 | -7.145626170397003 | -7.090266745928576 | -6.293087040821621 | -6.547326330900311 | -6.810573145439469 | -6.537031502026304 | -6.616788208311021 | -6.459105830535471 | -6.1454415165795355 | -6.8741112674464135 | -6.453824496540056 | -6.487250859190832 | -8.976649414125434 | -8.717435953391586 | -8.853463826133893 | -8.787068711152058 | -8.830484513963267 | -8.92695495536798 | -9.238453847060768 | -9.315169488273856 | -9.394329511615696 | -9.240824501228914 | -9.537730231489569 | -9.241007021875394 | -9.777188182340995 | -9.172100800995478 | -9.256328707548214 | -9.667424311421064 | -9.446645768486608 | -9.134468276075276 | -9.095421233740502 | -9.163438119515275 | -8.986513094461207 | -9.333288582035722 | -8.860579328022926 | -8.892412775253858 | -8.844219762271488 | -8.921949694651056 | -8.785651646523943 | -8.705929725126268 | -9.051510558275165 | -8.797696544376114 | -8.777415233008412 | -8.830708074641622 | -8.947637764485808 | -8.733019097834402 | -8.844391964085613 | -6.925604769373978 | -6.487441306013803 | -6.375994037412862 | -6.83475058328684 | -6.459842240831713 | -6.818868237038691 | -7.1460675148464015 | -6.825838775935078 | -6.8300979500357375 | -6.922248283017717 | -6.862628193085652 | -6.601073227404528 | -7.278409553418949 | -6.905817357235512 | -6.974277997557465 | -7.192906741555978 | -7.07009809428437 | -6.830151690909321 | -6.76894073645069 | -7.384147642045029 | -7.130899478020728 | -7.202470771712492 | -7.104269725490552 | -7.36186887520311 | -6.979797555643073 | -7.096214201108917 | -6.880595632612833 | -6.928867539124624 | -6.763353707487452 | -7.022287727572769 | -6.48915465789123 | -7.191871123443543 | -7.2541397103310885 | -6.767567616711833 | -6.966118261156642 | -6.70980685439846 | -7.256659295811293 | -7.322883728782463 | -7.178745405266948 | -7.323178341985598 | -7.138110110127113 | ||||||||||||
| 195.029 | Ascorbate [+F(-)] | cpd:C00072 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | -9.890900570218166 | -10.116485580526414 | -10.030109270198011 | -10.145556767097869 | -9.832465236689929 | -10.082578304314426 | -10.293565478219842 | -10.067665058785844 | -10.06306264816736 | -9.967632155350522 | -10.293015615019792 | -10.091275791717957 | -10.071304216318767 | -10.034718556292628 | -9.833928306141225 | -7.982575498178935 | -7.767294105451046 | -7.709980446810205 | -8.202213010211835 | -7.743395322919755 | -7.980225835754005 | -7.377939222323099 | -7.747473121921094 | -7.604579296392854 | -7.759344973307749 | -7.6939757412897665 | -7.783400306845446 | -7.742462639514844 | -7.946198177914926 | -7.765239764759761 | -7.500872172626711 | -7.288629303638138 | -8.058100179153236 | -7.52526544643282 | -8.02032574263683 | -7.819976097140455 | -7.60505338002154 | -7.802422527689646 | -7.590799889112357 | -7.630134060716767 | -7.69675527644878 | -9.063244967881245 | -9.015633679827056 | -9.358729037702133 | -9.310736368874052 | -9.064171180709208 | -9.54980233008386 | -9.493318081356533 | -9.924700345502963 | -9.80066995242311 | -9.337209854156557 | -9.825061937869702 | -9.475453906112273 | -10.166879914411542 | -9.626125069701484 | -9.837093034945172 | -9.383876625795201 | -9.13006822767048 | -8.949708883391095 | -9.02468252392411 | -8.93149289158316 | -8.985652119066929 | -9.292336543079989 | -8.60591961945753 | -9.230288581785171 | -9.345605596328916 | -8.79749314617928 | -9.011133810236439 | -8.802415388144858 | -9.473712899723713 | -9.349933234739161 | -9.098612528910271 | -8.98630013158733 | -9.267875114704168 | -9.309195184932252 | -9.221619239972851 | -8.704223802139802 | -9.015403415571784 | -8.67115416134751 | -8.603651502858757 | -8.31043478363299 | -8.646681100279185 | -8.713560804120128 | -8.913119988733575 | -9.069691283812668 | -9.340286130387273 | -8.585253215640568 | -8.519788109993113 | -8.364272975714806 | -8.41590615639088 | -8.5193492714972 | -8.340298598857418 | -8.164984537622793 | -8.33658341390084 | -8.5879994500373 | -9.359977183440582 | -8.269043747631661 | -8.534163643371246 | -8.471655116028753 | -8.839389965400345 | -8.758172594333415 | -7.640559755619454 | -9.121071325280653 | -8.752483027613234 | -8.769406166648299 | -9.210879671427708 | -7.538038244936345 | -8.768704906804329 | -8.709235138071682 | -8.7796861931211 | -8.725717918546438 | -7.906587765285802 | -9.571352827997403 | -9.714853610620237 | -8.049538978801849 | -8.208004530399386 | -8.095305725675546 | ||||||||||||
| 199.002 | D-Erythrose 4-phosphate [-H(+)] | cpd:C00279 | -8.758702473962076 | -9.094064298437297 | -9.204638893588038 | -8.812083837299298 | -8.877009303264801 | -7.819171814414795 | -8.199214410330166 | -8.58291867011514 | -7.972755641439768 | -5.718332547029197 | -8.028501154515329 | -8.528780148687956 | -8.925587831484133 | -9.286142808433462 | -9.264234774865379 | -8.859360108765493 | -8.962595084998249 | -8.858400348428631 | -9.4209511723339 | -9.272695611650414 | -9.151920044202459 | -9.256304867632789 | -8.773359058028076 | -8.97242871748047 | -9.007221100578153 | -9.025587161785996 | -8.939223918449992 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | ||||||||||||
| 199.062 | D-Glucose [+F(-)] | cpd:C00031 | D-Mannose [+F(-)] | cpd:C00159 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | -6.932896945092571 | -6.995092166661171 | -6.6985635916071455 | -6.512832256744629 | -6.407514014159053 | -6.294471507330185 | -6.492354763138729 | -6.288783067813908 | -6.298760315599086 | -6.335456627236771 | -8.0452736911429 | -7.8595401026504055 | -7.826590874879564 | -7.593386945038019 | -7.224628422691472 | -6.490932710774314 | -5.656237813134677 | -6.125530351566243 | -6.1798037542409405 | -5.691469507232173 | -6.149590226171669 | -5.541138690424945 | -5.4276330677747655 | -5.398027154423195 | -5.284211394794228 | -5.408612601761735 | -6.019187926352146 | -5.614797526534872 | -5.552536319142097 | -6.21779366257159 | -5.682981228558422 | -4.987891270426661 | -6.090610436566068 | -5.6387924179303255 | -5.361389546236727 | -5.933166635069835 | -5.768894938676828 | -5.434210308717544 | -5.54428966466336 | -5.169324415603974 | -5.368461100404185 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | -6.405454701825086 | -6.141656293133891 | -5.6665380610968255 | -6.178341595503959 | -5.417080391039902 | -5.577144785268742 | -6.866896263953656 | -6.726324437895358 | -6.229961599943183 | -7.208878354496512 | -6.216977223548723 | -5.578665257975529 | -6.779052353765121 | -6.497360551678451 | -5.571378242326608 | -6.7803699565797775 | -6.310172977231051 | -5.356327041469107 | -7.733211127030481 | -6.735841708220306 | -6.243995625575961 | -6.596582418517208 | -6.40463481991325 | -6.180141939300051 | -7.280940964307085 | -5.9084470392037565 | -6.291054012236688 | -6.1573949775997265 | -6.01224551702086 | -6.790757412974409 | -6.2531768052149985 | -7.628931270549103 | -6.262261138564534 | -7.10238038809165 | -5.67515758917071 | -5.039164023524017 | -6.787665320650592 | -6.825061488013539 | -5.531990135880489 | -5.68129064926714 | -4.56991354216397 | ||||||||||
| 200.074 | L-Tyrosine [+F(-)] | cpd:C00082 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | -7.578592851717187 | -7.7038361740867405 | -7.774373063455267 | -7.696144974215729 | -7.537471580395405 | -7.472260756871989 | -7.804539630421799 | -7.680293591193794 | -7.799591035238405 | -7.9200081478133395 | -8.085220381383746 | -8.060313966476564 | -7.935760451245681 | -7.875014862629623 | -7.688586794595943 | -6.912293586613428 | -6.867507710467317 | -6.932630002601382 | -6.589023123789496 | -6.948683966418804 | -6.920057150916217 | -6.913552355289373 | -6.744056322014749 | -6.82456052180028 | -6.638989640974034 | -6.514784360050713 | -6.822085236788235 | -6.82965381481802 | -6.4882033778756645 | -6.955765740262003 | -6.925014643860815 | -6.425864181467428 | -6.848983826749172 | -6.8727766212769374 | -6.66169269499481 | -6.7316923210038215 | -6.603464495653995 | -6.609217500085204 | -6.87623325167837 | -6.772169887562331 | -6.676150578124856 | -7.825400163935996 | -7.584928271663236 | -7.761169936443032 | -7.665608850059331 | -7.648619976049581 | -7.5247277409734625 | -8.04142611080793 | -8.192089693557667 | -8.06055296068545 | -7.631411866981646 | -7.941043062334011 | -7.821647566256747 | -8.112338942099456 | -7.968546833125743 | -8.195490701728215 | -7.7260856609998205 | -7.431739769483958 | -7.458648269762981 | -7.733406323650061 | -7.691235636724027 | -7.616187005321403 | -7.733987945670707 | -7.78944440796513 | -7.913402272371685 | -7.818121402840149 | -7.8460163419576565 | -7.729818670218631 | -7.684579406404115 | -7.806631867454084 | -7.67176238657839 | -7.727057417573227 | -7.71498453328976 | -7.604404816999892 | -7.802994243312278 | -7.722267307367786 | -7.182115975447171 | -7.016178183416859 | -6.917497763008709 | -7.260507177723851 | -6.759765714899065 | -7.059606634270466 | -7.328088890567313 | -7.204954764196278 | -7.204643880369403 | -7.368667234475132 | -7.259030795883278 | -6.988308031332958 | -7.44512911624305 | -7.113602531193054 | -7.341868891030591 | -7.33066003668573 | -7.200717840277754 | -6.992964796927336 | -7.232794153177184 | -7.558272095651278 | -7.2403727456387195 | -7.479824276863883 | -7.354214572624535 | -7.45342903147032 | -7.267154953168097 | -7.062655685341126 | -7.416433883468107 | -7.366895395915672 | -7.248131642125984 | -7.442535614864442 | -6.215752805951902 | -7.160546789636105 | -7.446036093171518 | -7.1274074479157346 | -7.2821501355358365 | -6.8229254303337985 | -7.648638628553263 | -7.664660983771042 | -7.138365727187176 | -7.184337286852719 | -7.009910753663853 | ||||||||||||
| 201.078 | Mannitol [+F(-)] | cpd:C00392 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | -6.844520536686005 | -6.707080294111697 | -6.997145960584935 | -6.702495022754573 | -6.659332564676831 | -6.779025221774936 | -7.0945496676821005 | -6.716311941082787 | -7.01344132247849 | -7.064985463652565 | -7.565312336499351 | -7.257957211573344 | -7.295849898215816 | -7.020265557053296 | -6.937045136349224 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | -8.52723298152474 | -8.342597770445558 | -8.661944973490254 | -8.539379539135707 | -8.548301705670987 | -8.667931382752899 | -8.777527427222475 | -9.113881795642214 | -8.998190775536543 | -8.83898698716537 | -9.04922135669994 | -8.874251234572384 | -9.498158189017845 | -9.113826895742019 | -9.279418714206681 | -9.052954375940905 | -8.7545922015066 | -8.620842071564145 | -8.357644245203419 | -8.616021123467917 | -8.41134670844853 | -8.68305998247223 | -8.292778953994878 | -8.80360377554718 | -8.66816429579328 | -8.46557916262695 | -8.445062413540219 | -8.324697059037499 | -8.843137868116502 | -8.128631144340801 | -8.489692501160958 | -8.468738176077993 | -8.649226035489969 | -8.356914308060565 | -8.571317275027306 | -7.199912142436743 | -6.869297604509561 | -6.747081521604695 | -7.0670266410202025 | -6.545710160017199 | -6.904474109947253 | -7.41089466056447 | -7.16097362310502 | -7.240312872192143 | -7.331275795265582 | -7.1655666481674505 | -6.82744149773882 | -7.288933781091738 | -7.088327064289794 | -7.122995074565226 | -7.445741325487451 | -7.088088296975623 | -7.124011214151178 | -7.193439027076674 | -7.576520923399784 | -7.0964348993146515 | -7.52902249530882 | -7.130859358862004 | -7.598894486367538 | -7.190144148137269 | -6.892394090470092 | -7.351446749434926 | -7.359385758880419 | -7.336193951892876 | -7.388439419356431 | -6.122579757333367 | -7.379867930380937 | -7.437987799287453 | -7.0955875637376025 | -7.297445538352326 | -6.677013454573691 | -7.42014946984985 | -7.6632244242479794 | -7.128572343321387 | -7.218446695840257 | -7.130414702858768 | ||||||||||||
| 203.068 | Choline phosphate [+F(-)] | cpd:C00588 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | -4.918067065145694 | -4.854395765116025 | -5.214459818476429 | -5.109814516834509 | -4.965895184355422 | -5.1799563090750995 | -5.209659231647857 | -5.101334187068759 | -5.291423522332584 | -5.335550000937822 | -4.982859259961538 | -4.802688807462818 | -5.082739113409675 | -5.03147707044323 | -4.975875954166085 | -4.616505680964164 | -4.206604982802595 | -3.990218308840779 | -3.90062576858674 | -4.188038494600412 | -4.220735047230992 | -4.582328909230879 | -4.357496391433041 | -4.369201848374731 | -4.0361291906199 | -3.997039665488712 | -4.364068068738523 | -4.0083963067300985 | -3.866197849774045 | -4.689086689059448 | -4.169737646470183 | -4.435091497847366 | -4.1630507830884875 | -4.7230568074671515 | -4.347784479281042 | -4.140260219673636 | -4.048532099449936 | -3.915412360442375 | -4.093831330321227 | -4.327238424117141 | -3.8421989033255723 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | -5.334215420816987 | -5.389337579086811 | -5.408896455408827 | -5.149597336133684 | -4.784443510987225 | -5.005252676872346 | -5.084590263212057 | -5.364260522795138 | -5.406338064187697 | -5.403777249411045 | -5.17053631275229 | -5.275719894490326 | -5.345076205481373 | -5.741757009515153 | -5.012157675644084 | -5.667925680862214 | -5.204964947652079 | -5.778030752662802 | -4.54190228466747 | -4.923953836309577 | -5.659464046360399 | -5.452847452669783 | -5.071426920127301 | -5.212352707461834 | -4.881947779372496 | -5.039299867660582 | -5.001900895794861 | -5.11258373617444 | -5.1388566543772125 | -5.111989158878292 | -5.02170430953457 | -5.112266530487084 | -5.206032940029807 | -5.552628832281576 | -5.128756807830975 | -5.118397747532512 | -4.950844925834398 | -4.833590204219574 | -6.402780844630528 | -5.76433150172407 | -6.058526336103964 | ||||||||||||
| 203.082 | L-Tryptophan [-H(+)] | cpd:C00078 | -4.607513819414225 | -4.6145252059135435 | -4.621508229270268 | -4.16828141980053 | -4.359158009190405 | -4.079915991546025 | -4.2016916272048865 | -3.8676229859145543 | -4.4384889804780885 | -4.371911842634761 | -4.784976189134247 | -4.12769258712478 | -2.992562253106676 | -2.879620582527776 | -3.067500463004526 | -3.0868021399446235 | -2.8384107345809517 | -3.0926017824015433 | -3.2274664276314433 | -3.086937146192183 | -3.3532338920689115 | -3.3358720772809627 | -3.0387753174222643 | -2.9897122530830864 | -2.8841577266301313 | -2.967260156330511 | -2.9746509262103253 | -3.645308254777318 | -3.820904024237313 | -3.7184261073113194 | -3.2001876640133906 | -3.8987820576666348 | -3.41007023159055 | -3.8277589522365965 | -3.959393398901548 | -4.012870799850534 | -3.7216238335354306 | -3.469502494910566 | -3.6280867056104604 | -3.824798543880533 | -3.6540572496765926 | -3.6145291439111897 | -3.8308410880119945 | -3.6090566443177194 | -3.2768596268402383 | -3.738079709705235 | -3.509019409224289 | -3.4326754868651665 | -3.369046737741935 | -3.4344249240943507 | -3.9273560250747788 | -3.8935508910345678 | -3.783505472838741 | -4.260128757493638 | -4.23044167808076 | -4.330932980590442 | -4.207535345937547 | -4.281425846183728 | -4.328175281868805 | -4.218935200849352 | -4.248977064296412 | -4.253299724668789 | -4.45966199651598 | -4.75304189087225 | -4.547722440556303 | -4.295691443613112 | -4.251819952713307 | -4.52419902323368 | -4.279187410747839 | -4.193376553858601 | -4.208440021130113 | -4.194757028273168 | -4.161234536628852 | -4.155280728099654 | -4.241768979362586 | -4.184430350348913 | -4.2516157816508695 | -4.338242214563153 | -4.275441549606091 | -4.258453757151618 | -4.183714172892762 | -4.339165716264708 | -4.179123552202134 | -4.237343990457818 | -4.184526810686906 | -4.29678845159195 | -4.286877524265042 | -4.328598113496466 | -4.10513544188621 | -4.028643425297111 | -4.064696239398733 | -4.409531860377165 | -4.01328291918684 | -4.323368464707954 | -4.275184868215918 | -4.089479289972954 | -4.053900221163042 | -4.126403631289552 | -4.315134365524832 | -4.227956367856613 | -4.482299804498681 | -4.211380107724878 | -4.349240378891059 | -4.217642990681585 | -4.394417209587419 | -4.27842611242292 | -4.054612341905025 | -4.299993496655354 | -4.497620184299373 | -4.380555333362613 | -4.487950468080755 | -4.46778135468755 | -4.2537890518553665 | -4.415093395477508 | -4.312130454174237 | -4.313321120128824 | -4.252326145870003 | -4.0813279480417295 | -4.378699792248131 | -4.23867255652878 | -4.433595102084164 | -4.247233703430254 | -4.325020934773041 | -4.393791074978956 | -4.348225402325737 | -4.2800701562799555 | -4.4526753013304665 | -4.420378084415174 | -4.426112696454658 | ||||||||||||
| 204.053 | Lipoamide [-H(+)] | cpd:C00248 | -9.485178767989781 | -9.286512567632581 | -9.287989331474437 | -9.308722487656464 | -9.085106193942178 | -8.97368187335786 | -9.256014812037913 | -9.414836239656978 | -8.895521723700055 | -8.670591835460009 | -8.990595336372838 | -9.329002550059291 | -9.070099869462075 | -9.267211331754755 | -9.395449147755421 | -9.185856119796744 | -9.229205185151748 | -9.168703788660507 | -9.33071770916608 | -9.128188486927051 | -9.30337406975009 | -9.449168779167943 | -9.177420341548869 | -9.590702257943997 | -9.324896379206368 | -9.527000190801775 | -9.352003430559476 | -7.938588814114428 | -7.913539514892783 | -7.917414567922113 | -7.811699200059825 | -8.050582891865071 | -7.890493613154666 | -7.72455091802293 | -7.829475302948717 | -7.802618473546439 | -7.8358931808777115 | -7.625935111209027 | -7.821159398919951 | -7.916289179828024 | -7.841782965805213 | -7.783501601173241 | -7.713754761217028 | -7.491847344723579 | -7.986203302431931 | -7.820780199981243 | -7.698339039532581 | -7.834512183483592 | -7.5443325928574 | -7.737483855746767 | -7.7698064956665265 | -7.808054998217569 | -7.726085531494118 | -9.269339313959401 | -9.29285649756602 | -9.22134192069667 | -9.396740774479726 | -9.258622609072244 | -9.586833090244092 | -9.454966725076442 | -9.809644111398383 | -9.748370602109823 | -9.26079105479678 | -9.571311952731076 | -9.676867025172921 | -10.090112991800822 | -9.786890780012627 | -9.793603238178935 | -9.6218333412074 | -9.01039360733229 | -8.923009740352763 | -9.386344994515477 | -9.099136423829375 | -9.198381893775835 | -9.483207215259881 | -9.316776502742675 | -9.397274685857935 | -9.43532440678783 | -9.363471448298483 | -9.456929617059679 | -9.354554594883002 | -9.337518615317855 | -9.260033802169893 | -9.193873086975017 | -9.16316410660308 | -9.394761563100852 | -9.373578833123696 | -9.361763542809836 | -8.844571157109252 | -9.039334266830542 | -8.608582462663362 | -8.634610680091935 | -8.149405014833969 | -8.46109862427776 | -8.854020651987083 | -8.992060561885435 | -8.990119430629761 | -8.88178004285977 | -8.819770856318438 | -8.566308400161711 | -8.68894730343745 | -8.557631558462624 | -8.816628752972285 | -8.6940232549771 | -8.489609614363232 | -8.699949762603861 | -8.67618755154776 | -8.82400192746071 | -8.577916969503695 | -8.77656328888116 | -8.444148616824645 | -8.734430636769508 | -8.603584118427907 | -8.397687917469677 | -9.089645588216682 | -8.938346372366842 | -8.776784488183752 | -9.225075016357863 | -7.569988215657454 | -9.005415922349492 | -8.896300489435134 | -8.671615801377335 | -8.850726751955662 | -8.212198490516688 | -8.798580214190961 | -8.854926485518945 | -8.76189843014313 | -8.62538202885738 | -8.805683167425368 | ||||||||||||
| 206.068 | Dihydrolipoamide [-H(+)] | cpd:C00579 | -8.729750798010423 | -8.754171917313458 | -8.71951499039065 | -8.640486897184065 | -8.596469098903487 | -8.168420120322033 | -8.463808886602695 | -8.433847161240696 | -8.077728926981345 | -7.664203308262891 | -8.968256720165467 | -8.542960448687717 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | -8.341990505190584 | -8.373798893280497 | -8.181662498845858 | -8.348084284846994 | -7.778051923763614 | -8.101384853681887 | -8.305767427447448 | -8.3014779627036 | -8.454214904663685 | -8.247463965635452 | -8.279715277414184 | -8.191998524741884 | -8.364126510359519 | -8.350713283032574 | -8.259453957645471 | -8.321819716031758 | -8.200443658102156 | -8.30066086536778 | -8.22996200518615 | -8.52630974342827 | -8.194489580344362 | -8.410846257804337 | -8.192477168361009 | -8.389385212761923 | -8.152858788967707 | -7.955939967271028 | -8.407066719792212 | -8.403491334228493 | -8.428085702163514 | -8.353068466310418 | -7.419774994251743 | -8.335063617869535 | -8.374785033380457 | -8.302478787576439 | -8.305710235398928 | -8.050450434803977 | -8.60230714322554 | -8.431151921746945 | -8.47000092024323 | -8.53240944965806 | -8.42979748840686 | ||||||||||||
| 213.015 | 2-Deoxy-D-ribose 1-phosphate [-H(+)] | cpd:C00672 | 2-Deoxy-D-ribose 5-phosphate [-H(+)] | cpd:C00673 | -8.73535415680088 | -9.325714492655296 | -9.157301721366675 | -9.076421246509879 | -9.118347523790575 | -8.991947879456154 | -9.222166449337243 | -8.791360121515062 | -8.945255319960484 | -9.28413265680106 | -9.378628939167841 | -8.997333387880964 | -9.628903610582299 | -9.158288444609889 | -9.280188668822712 | -9.618101400818169 | -9.644054089142612 | -9.070587964134816 | -9.254587777285051 | -9.23657070336447 | -9.319258469070538 | -9.282408244286504 | -9.54681254950609 | -9.538835578466271 | -10.115371335181752 | -10.19342831967573 | -9.610058755210407 | -7.956329637533676 | -8.210161036008593 | -8.218011821965705 | -8.10515669381029 | -8.234920638815458 | -8.061855576492537 | -8.121196051734637 | -7.945925731801327 | -7.627790946702142 | -7.644836712507191 | -7.472343024951297 | -8.391920872639906 | -8.225073260969616 | -7.9110998008289615 | -8.125152116944575 | -7.881491477281269 | -7.8478138555940715 | -8.363085994576188 | -8.040607434414383 | -8.379956853673553 | -8.258717931443659 | -8.161958707353056 | -8.347238866968683 | -8.305931690353805 | -8.123971775073933 | -8.205380428941297 | -9.839702186450756 | -9.842868938142036 | -9.920539029466797 | -9.626603096993554 | -9.497510723508167 | -9.648018796001981 | -9.186770807984292 | -9.271132700413528 | -9.325650203972865 | -9.604127954190794 | -9.59134391255864 | -9.53902793465607 | -9.727583595587248 | -9.579849954428605 | -8.911686235020397 | -9.860988015338346 | -9.397969874752992 | -9.574698019244915 | -9.399089682532855 | -9.591657696832483 | -9.53491001899803 | -9.687964281802227 | -9.659685919799987 | -10.023248852517185 | -9.557861242447547 | -9.770805391302398 | -9.621794239678131 | -9.427262932704897 | -9.440529588250952 | -9.534112903997597 | -9.465816685146503 | -9.692006364855802 | -9.780455816734255 | -9.688606207653422 | -9.816310047446912 | -9.976627520131526 | -9.957411764975225 | -9.714813403333887 | -9.382041124818025 | -9.204890107876677 | -8.703767366061792 | -9.493195852292718 | -9.590143992438547 | -9.696624127620055 | -9.883005422004645 | -9.45438861583302 | -9.534114391051881 | -9.488609561158311 | -9.562840597261408 | -9.51738649663872 | -9.665304492198057 | -9.13123752287299 | -9.605558758907861 | -9.609645468066846 | -9.65508712551346 | -9.0093594142974 | -9.182697869693289 | -9.356697925618683 | -9.908817862114605 | -9.406289581237557 | -8.915440953260788 | -9.796718521307236 | -9.195989039372725 | -9.125009138349657 | -9.526843732973298 | -9.291503523562517 | -9.644087859196619 | -9.610391097243888 | -9.678705529837696 | -9.802549198077303 | -8.982348299418828 | -9.556915220120192 | -9.95124076622014 | -9.328005788708397 | -9.097223637545985 | -9.349746290791469 | ||||||||||
| 223.086 | L-Tryptophan [+F(-)] | cpd:C00078 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | -7.315183571275581 | -7.238380442929338 | -7.404421133831954 | -7.161236756766983 | -7.049638043832773 | -7.142211804158817 | -7.469543976307141 | -7.193206857593169 | -7.4284364613149645 | -7.553286311361991 | -7.7368412552045225 | -7.693867707360646 | -7.482222786790028 | -7.544489534114518 | -7.430078414120906 | -7.082397306056656 | -7.389659129949556 | -7.092886709465496 | -6.464736615828411 | -7.201789284681489 | -7.026797472445669 | -7.124388139661187 | -6.70316043227888 | -7.117083097433085 | -7.074868530201229 | -6.881761565919116 | -7.050877950021098 | -7.184217947211445 | -6.552201424606698 | -7.429816890517341 | -7.4045634483897365 | -6.791924869401188 | -6.787005607636015 | -7.101310454058779 | -7.071266042356206 | -6.987397429960047 | -6.994958814714362 | -6.743383232519133 | -7.331122491609156 | -6.957448142792922 | -7.000983284519889 | -8.899859124771888 | -8.84615839320765 | -9.091440026353926 | -8.978487990407794 | -8.86129614130578 | -9.068409887657477 | -9.132531443442602 | -9.135945711005375 | -9.4441774876295 | -8.758817509870315 | -9.119578688793442 | -9.11117981419389 | -9.732214617999821 | -9.55200230279422 | -9.563797999740913 | -7.4907842128996265 | -6.919795493598781 | -6.941621688173107 | -9.104098580525456 | -8.998719608058032 | -9.095333687219188 | -9.189482034082774 | -9.062639493582825 | -9.13904398522499 | -9.117407369698661 | -9.201457721442248 | -8.936346701600565 | -8.914160960160203 | -9.169019142869136 | -8.77177761206389 | -8.871666674767685 | -9.01849018228647 | -9.028644228243525 | -9.131978518401112 | -9.199299891524067 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | ||||||||||||
| 224.057 | Lipoamide [+F(-)] | cpd:C00248 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | -7.836327833891425 | -7.635091233360895 | -7.845314205847473 | -7.498588547443936 | -7.774820188636131 | -7.685330548468318 | -7.4191523401238895 | -7.4804911222872805 | -7.598363871609383 | -7.665571702920008 | -7.401217045021723 | -7.583690928498866 | -7.56974604236239 | -7.530345677325529 | -7.478266306656742 | -7.28787904635979 | -7.117430057166256 | -7.700897623304092 | -7.346699859058228 | -7.39088574652135 | -7.478618514261454 | -7.374892647917489 | -7.520080749650911 | -7.502944971829338 | -7.391000287788336 | -7.438168367638315 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | -7.1804708259069825 | -7.636669547920633 | -6.802453860121823 | -7.408002287305186 | -7.378956219089954 | -7.605940036420661 | -7.706483489954032 | -7.644286927576205 | -7.981409060636597 | -7.998441926539995 | -7.045000227013752 | -6.765714017810788 | -7.192203885629883 | -6.972744044199055 | -7.172116691386363 | -7.082254860601164 | -6.898887417921965 | -6.77303854851566 | -9.22646739915185 | -7.631637837141671 | -6.652876998494569 | -6.9288129422504765 | -7.114570599931668 | -7.2784742779886225 | -7.928316149975018 | -6.880854549491077 | -7.726148994064609 | -7.552881822869036 | -7.573951959599072 | -8.206426336089839 | -7.670552999585752 | -8.317231250698415 | -7.518489296537502 | -7.65106598940079 | -7.312823019003542 | -6.901519717256271 | -7.784168447489614 | -7.985317044672588 | -6.702000315881294 | -6.785592807638465 | -6.514496645309818 | ||||||||||||
| 226.071 | Dihydrolipoamide [+F(-)] | cpd:C00579 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | -8.259599955412273 | -8.439975353736154 | -8.537591234001491 | -8.338497571650361 | -8.2213973504168 | -8.04004475724465 | -8.342085199550242 | -8.143400224377798 | -8.304381093299773 | -8.299521375316404 | -8.51428545745435 | -8.53948925293463 | -8.645654854610012 | -8.538615685830973 | -8.531015156264413 | -7.484512723980945 | -7.284575424766598 | -7.3187488948603985 | -7.129529225685377 | -7.373159811830425 | -7.256770996073396 | -6.991062997210882 | -7.1298318924835336 | -7.314346820172868 | -7.2079028346868155 | -6.93584359377859 | -7.210059648183542 | -7.385189910912337 | -7.108689776434274 | -7.231561873421005 | -7.059940463723103 | -6.630602611740554 | -7.2019362645503895 | -6.9706659276252605 | -7.115845958114771 | -7.037674907605899 | -7.005783955378901 | -7.120038645931903 | -7.2561012438526475 | -7.09615265396063 | -7.144827022199053 | -7.612929871421298 | -7.630334962186832 | -7.341122700266668 | -8.541167748693637 | -8.653328711850438 | -8.914631325421876 | -8.75562437505376 | -8.871277794794462 | -8.705936387870995 | -8.140785630980039 | -9.02302266342114 | -8.867171437590313 | -9.014884516994655 | -8.910748756326917 | -9.087345548486077 | -7.169506780512976 | -6.021694760824106 | -6.1532024185443355 | -8.979952583476347 | -8.615597488916366 | -8.813787459372493 | -8.815318495150347 | -8.372313802284074 | -8.78011684380789 | -8.828240726727698 | -8.699757939251638 | -8.736900008883874 | -8.505827065129738 | -8.873856180402347 | -9.000826843266578 | -8.893557196690919 | -8.780164471326936 | -8.818234632964643 | -8.958712423907185 | -8.650282481496975 | -7.678524021501046 | -7.6906172180847685 | -7.306749929376038 | -7.731719536180897 | -7.583640999403193 | -7.76046311120058 | -7.862392119705137 | -7.88750768854054 | -7.974024190614775 | -8.078752416150225 | -7.61584123814808 | -7.343835593626234 | -7.737989892993798 | -7.468113036762119 | -7.6556854356009545 | -7.718934321382701 | -7.477338172644787 | -7.4109299722755235 | -8.238948750334707 | -8.07095263090957 | -7.448482302862541 | -7.5898293443126414 | -7.651466721752785 | -7.89552856886326 | -7.990068384731514 | -7.412702714092086 | -7.970710320330047 | -7.919546986895874 | -7.87129267310591 | -8.244295610011068 | -7.195070754196618 | -8.018398085217882 | -7.895230168097628 | -7.787211870008774 | -7.755030420226103 | -7.330458600488863 | -8.138637026913596 | -8.128850763550941 | -7.427972604231743 | -7.436162236693538 | -7.220479931377339 | ||||||||||||
| 226.084 | Deoxycytidine [-H(+)] | cpd:C00881 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | -7.263844755775902 | -7.276528387841838 | -7.032398061934535 | -6.712463336744584 | -7.147366375248117 | -7.118420113874103 | -7.130176925474036 | -6.9284501106860725 | -7.281628968602306 | -6.997467825173395 | -6.853763435408892 | -6.9857487256331385 | -7.302130063021254 | -6.804806524876031 | -7.157924118957519 | -7.127682242200591 | -6.808239402358655 | -6.946564890117692 | -7.135884696462405 | -6.982220927978893 | -7.074695807023589 | -6.899346247007562 | -6.842788850469819 | -7.07733648170884 | -7.1123569096279935 | -6.9364657235093 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | ||||||||||||
| 227.067 | Deoxyuridine [-H(+)] | cpd:C00526 | -9.224172375849285 | -8.993483006373829 | -9.159998113870888 | -8.646934247340903 | -8.868560180649062 | -8.77540142718643 | -8.835377926315019 | -8.713339839074777 | -9.00492268631871 | -9.232662503913067 | -9.287788914252456 | -8.915134479065685 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | -6.908399325983567 | -6.797535179046572 | -6.7665411476902495 | -6.679693716810515 | -6.767836643940965 | -6.937374496170687 | -6.590913805425481 | -6.6383794686995135 | -6.631815344066214 | -6.537553189761682 | -6.400178227347711 | -6.791864313455657 | -6.61779011028993 | -6.590011325456839 | -6.854247838551322 | -6.6118549842832754 | -6.322881749643384 | -6.758961433567745 | -6.602769680755428 | -6.762783965805107 | -6.814966097829851 | -6.532624608110316 | -6.661844379115841 | -6.698338007616858 | -6.5830247393375005 | -6.600382995391644 | -8.117973057025278 | -7.937060995641027 | -8.037435234187344 | -8.139559844372343 | -8.202494977596006 | -8.27476864676865 | -8.478853337118725 | -8.613034337600954 | -8.73212343235689 | -7.983572608068064 | -8.473022734091874 | -8.536647962656136 | -8.450216611059538 | -8.6351192513229 | -8.475975254169583 | -7.237952405881181 | -6.3228550352488755 | -6.431036958176775 | -8.252570718611196 | -8.249409978271194 | -8.325241567306328 | -8.26662288413583 | -7.98297504301112 | -8.400217862159382 | -8.311771754001853 | -8.25357775545188 | -8.261424636225554 | -8.354844717738887 | -8.383188732496958 | -8.130846347909168 | -8.27990847419329 | -8.24581029809058 | -8.215048324039898 | -8.302132215292001 | -8.28901667989855 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | ||||||||||||
| 229.012 | D-Ribose 5-phosphate [-H(+)] | cpd:C00117 | D-Ribulose 5-phosphate [-H(+)] | cpd:C00199 | D-Xylulose 5-phosphate [-H(+)] | cpd:C00231 | alpha-D-Ribose 1-phosphate [-H(+)] | cpd:C00620 | L-Ribulose 5-phosphate [-H(+)] | cpd:C01101 | L-Xylulose 5-phosphate [-H(+)] | cpd:C03291 | -6.962318255653459 | -7.22605523501747 | -7.159532470802628 | -7.517222801043461 | -7.632580916199023 | -7.4417812340855525 | -7.607585383284071 | -7.769250601608317 | -8.23099985322455 | -8.810907965276712 | -8.687351389623275 | -8.671759184794606 | -7.020522416063007 | -6.903758078930442 | -6.890630315532892 | -7.333563530395242 | -7.186729389693502 | -7.284126945270672 | -7.234271178415712 | -7.462600838860349 | -7.846026008826006 | -7.313387733259138 | -7.021248235389841 | -6.437370140169294 | -7.564826655599737 | -7.292151339910407 | -6.5383228123118995 | -7.321444264173008 | -7.235769044134782 | -7.302148812998036 | -7.0127490107777595 | -7.649741035679655 | -7.056505130578597 | -7.114065879895665 | -7.360740384504421 | -6.738026888492304 | -6.365773830414898 | -5.705005467936909 | -7.2985311007513065 | -7.348281410275423 | -7.45685715475288 | -6.93245196351181 | -7.0438013402312505 | -6.785483098304551 | -7.1594718904691454 | -7.0604290800009135 | -6.965903823097138 | -7.064033652011236 | -6.776546581605198 | -7.298627497983794 | -7.411758307454661 | -7.25795976473343 | -7.38039715492793 | -7.525790698862437 | -7.404300494216033 | -7.553922648363681 | -7.066259022286276 | -7.020415552626171 | -7.182983809480059 | -8.310440344451402 | -8.44509157616546 | -8.25798936283007 | -7.128830619749666 | -7.555292777056095 | -7.444148197390309 | -7.179084893110406 | -6.731158400630748 | -6.584634118297256 | -7.2164006900277275 | -6.687412906066086 | -6.683610072422682 | -7.121517918133942 | -7.249937518539872 | -7.543185558955567 | -7.857143475116783 | -7.083600892583581 | -8.000984314359284 | -7.8584021636034915 | -7.903593860425818 | -7.828866606274974 | -7.764960215378779 | -8.01162195125556 | -7.017531237547242 | -7.286155741006667 | -7.558116206660293 | -7.6560087855815935 | -7.711785726778797 | -7.917654755521774 | -7.677020280941381 | -7.695458392643572 | -7.658236016478301 | -7.520446070377055 | -7.321880907489996 | -7.486966429592589 | -7.967420822274773 | -7.921914098448821 | -7.973490633922192 | -7.484477762208753 | -7.905229455074957 | -7.87344584720317 | -7.780776519926485 | -7.521896775972995 | -7.576963110685913 | -7.542767153943504 | -7.525658140052776 | -7.595651709169609 | -7.329423794082355 | -7.5672335074051 | -7.64128453346642 | -7.883602665057721 | -7.8641863226861854 | -7.953550385225306 | -7.779441040000652 | -7.396632610440651 | -7.921859282176165 | -7.402419402618969 | -7.5610066706087675 | -7.350384981187144 | -7.38864460704377 | -7.493648768388444 | -7.545206581601855 | -7.656472209017814 | -7.57695825962274 | -7.331486677835671 | -7.56243492991695 | -7.561141772717396 | -8.119929083145598 | -7.756341322923284 | -7.715302430424532 | ||
| 241.086 | Thymidine [-H(+)] | cpd:C00214 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | -4.295369201387719 | -4.173949436709929 | -4.16936292346011 | -3.8416485621364957 | -4.267705176220437 | -4.05427267448142 | -4.266802475796428 | -4.417189390267214 | -4.568514032704374 | -4.178147067009935 | -3.9678718455425717 | -4.112180392694606 | -4.138917237543913 | -3.9789689496177876 | -4.217036580228271 | -4.198315657360569 | -4.044501921660352 | -3.933942075829508 | -4.437730898588774 | -4.072339004783015 | -3.934494133788103 | -3.826438801008571 | -3.9463949272031265 | -4.196067317362235 | -4.47850673507191 | -4.055457482867282 | -4.966504405302714 | -4.584747204389127 | -4.639693910004702 | -4.541749199682966 | -4.5758950613088984 | -4.563694974820744 | -5.3896159420847 | -5.523773036251148 | -5.303898478647779 | -5.201880234058585 | -4.915944082341775 | -5.2285959733010845 | -5.658364619462064 | -5.153790746544508 | -4.9007139624646845 | -6.0803769081347 | -5.945830674654414 | -5.977396761480188 | -4.699715086124544 | -4.894847120324323 | -4.881123339207153 | -4.970807468341706 | -5.118425566507529 | -4.927371875914265 | -4.639198167320139 | -5.002306410449225 | -4.846491972220256 | -4.8238586149240374 | -4.758810108906379 | -4.372466066247819 | -4.67314992215113 | -4.789526210663704 | -4.559774099285456 | -4.637077123433378 | -4.778252492473423 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | ||||||||||||
| 242.079 | Cytidine [-H(+)] | cpd:C00475 | -6.751580208021078 | -6.5209681793637095 | -6.474214083179784 | -6.5553934292332166 | -6.717978386239341 | -6.567610303920026 | -6.558451594857181 | -6.55668374661969 | -6.773109898006149 | -6.748054479735836 | -6.702588978063638 | -6.68892631457553 | -6.41547250393551 | -6.598338316764023 | -6.525959321235232 | -6.580641217916371 | -6.594068996747413 | -6.435733083878916 | -6.440869009908926 | -6.502279822393093 | -6.680947099684485 | -6.522223565833163 | -6.514575032368901 | -6.497046393382554 | -6.6955574378866345 | -6.513438825824145 | -6.601078671025082 | -6.041995535133149 | -6.064603176631157 | -6.05581450066248 | -5.787125236966765 | -6.29796446701306 | -5.895391375846465 | -5.986482046515804 | -6.254392439271576 | -6.309355406651073 | -6.073547638422953 | -5.892576232087294 | -6.083781895728422 | -6.138945327226063 | -5.9894750921768525 | -5.886146686612646 | -6.091849757662354 | -5.738010292847466 | -5.935094216005103 | -6.115523314696514 | -5.911292447972555 | -5.813889149369606 | -5.6629129616420935 | -5.836315114137174 | -6.024402923409339 | -6.290986413554648 | -5.952782570822759 | -5.982821994302465 | -5.718322709947641 | -5.84520231662905 | -5.705317547890607 | -5.74308068664039 | -5.661670747211525 | -6.673214506639639 | -6.886057120831944 | -6.167117922879361 | -5.986180961729549 | -6.049640829459031 | -6.241363758962676 | -6.1236167833718635 | -6.383513272386773 | -6.3413854570567025 | -5.940644089949142 | -5.895773867360946 | -5.863098466905054 | -5.772356045503078 | -5.72885304726958 | -5.716817764348403 | -5.905761690271961 | -6.328481686296805 | -5.875866127157811 | -5.693068116537163 | -5.957874734518721 | -5.738630101414736 | -5.937333152556759 | -5.633868825591904 | -5.602097965097331 | -5.653017139244637 | -5.6635858460245805 | -5.501981509723213 | -5.9483739909197615 | -5.6761781655353625 | -5.7582670985073 | -6.091888401866901 | -5.727344015352502 | -6.123776756232165 | -6.151194159630392 | -6.297110252860743 | -5.811043558772581 | -5.684753967882196 | -5.97075511105949 | -5.76056338334869 | -5.6573941986550125 | -5.559842825341956 | -5.648856213327791 | -5.691148594183022 | -5.781715469556396 | -5.556422332973952 | -5.606977690108233 | -5.616255863390241 | -5.711212234684343 | -5.9902196784697255 | -5.7595374526491545 | -5.637912695718304 | -5.865753398131084 | -5.985147156854421 | -5.810448122903623 | -5.836699902662693 | -6.018727772749112 | -6.044181816905557 | -6.010128909405217 | -6.039442633694758 | -6.198948593151347 | -5.843193297905299 | -6.064672507605231 | -5.981737748069399 | -5.95173999757132 | -6.09815130379939 | -6.108888899748358 | -6.0402413573128815 | -6.223067279556376 | -6.299663771145377 | -6.333128487977912 | ||||||||||||
| 243.063 | Uridine [-H(+)] | cpd:C00299 | -6.223484388857314 | -5.988385611585248 | -5.98709588299033 | -6.040510639608905 | -6.206737918740682 | -5.973741482927705 | -5.807256421195592 | -5.940763412807787 | -6.138205770512541 | -6.069913706605056 | -5.701598169467071 | -5.887769775338444 | -5.74375478096458 | -5.924913489780919 | -6.070791989138965 | -5.93582982533471 | -5.930227971509266 | -5.964553450443812 | -6.1031479090706675 | -6.064934421672745 | -6.291412120326404 | -6.25434060213221 | -5.564659137804963 | -5.632818084899035 | -5.783397596332986 | -5.798215228077917 | -5.882185197258946 | -5.297718247827698 | -5.266467232869292 | -5.155829182256776 | -4.823234759797165 | -5.286111187797973 | -5.064409293692538 | -5.183460709961812 | -5.469099222164929 | -5.304848133550207 | -5.165951656367286 | -5.060819421819816 | -5.096692610588027 | -5.029949133184694 | -5.082208737855208 | -5.368497623238047 | -5.385377512749402 | -5.172778025901645 | -5.214446321671126 | -5.473697683545253 | -5.3283296143264165 | -5.152217600764577 | -5.030957857222742 | -5.171178397788578 | -5.043092833706297 | -5.234673772300651 | -4.89642578526277 | -5.153631001430693 | -4.8890758510186245 | -4.997636987249971 | -5.087235342850894 | -5.19111483505716 | -5.1544463082670005 | -5.579739072114968 | -5.8179368141899905 | -5.676304229249976 | -5.47431113231169 | -5.570101793416544 | -5.588710737372169 | -5.16505104202394 | -5.427906427988208 | -5.565167651916509 | -5.083000466672953 | -5.036394333859999 | -5.03545973004348 | -5.156483215110736 | -5.192401439697551 | -5.178295281036247 | -5.3738362635549315 | -5.474855299151795 | -5.4711816931434045 | -5.353323474683086 | -5.491313814955399 | -5.294512090222283 | -5.337780667192937 | -5.3031850054716605 | -5.141746593376248 | -5.17142937998596 | -5.231470962580849 | -5.046049436920899 | -5.147117084002389 | -5.202234117197147 | -5.215069726184995 | -5.354087078225122 | -5.272035320365255 | -5.86815420309672 | -5.6194739181442745 | -5.672585378332649 | -5.695798346055186 | -5.591385902979963 | -5.609542978358284 | -5.609011254809174 | -5.707558636765404 | -5.627679615928982 | -5.716780373662848 | -5.589380046887396 | -5.651462138671191 | -5.5305751719835285 | -5.644234721505419 | -5.580592259102076 | -5.260618164261065 | -5.672188842192354 | -5.7483326885642985 | -5.724621178750669 | -5.590620486974347 | -5.743308359745578 | -5.45491918636023 | -5.502863858912842 | -5.672755706195441 | -5.731519328208116 | -5.717951674151986 | -5.5487142919024235 | -5.367985101381911 | -5.646374736191476 | -5.616070462516911 | -5.850867734160464 | -5.866279401344002 | -5.84362354177261 | -5.558233174447636 | -5.55585522133828 | -6.190424707417267 | -5.865435369386166 | -6.294157327784833 | ||||||||||||
| 246.015 | Pyridoxal phosphate [-H(+)] | cpd:C00018 | -11.632200082392611 | -11.737395437771248 | -11.600580127662386 | -11.356163927185676 | -11.51227578270739 | -11.193316039085989 | -11.237703928668264 | -11.281864371211785 | -11.236717578031675 | -10.676170689674676 | -11.13134961463297 | -11.327951487031822 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | -8.40491618997485 | -8.980503621251735 | -8.368606348898147 | -9.030244493264107 | -9.574762578326268 | -9.651144474548808 | -9.04815810916848 | -8.95015047997734 | -9.495002937353933 | -8.952784292419159 | -8.614985163291976 | -8.46875718531352 | -8.368902172348518 | -8.411238203906956 | -8.80333563546294 | -8.288214222665369 | -8.488166815499852 | -8.232695387569224 | -9.579931753283185 | -9.359956134727703 | -8.561002049922687 | -8.498085439511925 | -8.957988703722117 | -9.02717138975078 | -8.99005961220247 | -8.536069062577951 | -9.619921129297273 | -9.409312150603709 | -9.074971554920305 | -9.522108677433373 | -9.25741454354167 | -8.833010916538026 | -8.82423044421224 | -8.81701931938588 | -8.880369354472434 | -8.726216925367655 | -9.965351566040114 | -9.8736287560623 | -8.136021385666776 | -8.656925535271025 | -8.349780575451613 | ||||||||||||
| 246.088 | Deoxycytidine [+F(-)] | cpd:C00881 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | -7.299788171239971 | -7.193008939402085 | -7.261825312106548 | -7.095008335762057 | -7.042678539130467 | -7.014132474545587 | -7.37627226101996 | -7.05455427065631 | -7.331695646763699 | -7.432024097255925 | -7.713062646304202 | -7.652486545008275 | -7.584429713390727 | -7.358858991346924 | -7.425908785754666 | -6.747118530924195 | -6.5390804346914 | -6.646401422393259 | -6.414360932711864 | -6.570041151098134 | -6.674531499766313 | -6.696682404285402 | -6.4160398996367585 | -6.557977028265128 | -6.4784424368906 | -6.317728207591403 | -6.506863930466117 | -6.522774641063315 | -6.240143377754768 | -6.95726352533521 | -6.618178895258791 | -6.4027890990448055 | -6.509156579797526 | -6.838375217923279 | -6.5324093394690514 | -6.497431441119824 | -6.526041723588971 | -6.27073134072037 | -6.5884105103777735 | -6.560044500536124 | -6.431943947914683 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | -7.251181042166149 | -6.888012897669656 | -6.8278003398989275 | -7.304725047221488 | -6.900721537102736 | -7.148291762709559 | -7.308353495322868 | -7.116277910873834 | -7.189645849352213 | -7.289713095547341 | -7.149634223652372 | -6.894915308030023 | -7.304533028016488 | -7.136121197938008 | -7.235656667527928 | -7.310458308275846 | -7.260705344971084 | -7.312809073024429 | -7.072495761372136 | -7.497447147385445 | -7.2422565241698384 | -7.498747394879043 | -7.339575074530834 | -7.423749876126789 | -7.021230558262344 | -7.087644826970641 | -7.232996294375487 | -7.231578043516775 | -7.183478282191772 | -7.231204719410968 | -6.689557779363338 | -7.272776793014154 | -7.373990118779747 | -7.0225516481874175 | -7.301493851082341 | -6.947947555644721 | -7.403489338512889 | -7.458441568192984 | -7.449499155222084 | -7.352855884652562 | -7.484042831763904 | ||||||||||||
| 250.094 | Deoxyadenosine [-H(+)] | cpd:C00559 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | -6.4077664333546105 | -7.044728512867112 | -6.389550838752926 | -6.419513944768786 | -7.176246621454875 | -6.699820123855524 | -6.659444823391646 | -6.818866310076736 | -7.162603159443095 | -6.537135588772351 | -6.266231990577906 | -7.430543742124462 | -6.857753586073189 | -6.598443110115639 | -6.2543064605752585 | -4.096403145406528 | -3.797303510486054 | -4.113961225107965 | -6.139037003826144 | -4.353383519195166 | -4.017802511003464 | -3.3555776375082105 | -3.8061581544481355 | -4.938054126866676 | -4.10497237566715 | -3.990216680054282 | -4.086354231270634 | -4.39914844265567 | -5.837822125026278 | -2.2984364316385157 | -2.850234952670175 | -2.7698994308504554 | -4.8599509567195724 | -3.2898480146509215 | -3.396909661053676 | -3.9079431467204477 | -3.4686399396579675 | -4.390211742458491 | -3.194022982755238 | -5.001134663166861 | -4.102111907325622 | -7.5805058968225145 | -7.713077225247253 | -7.820632932286581 | -7.192130471771662 | -7.253500147268154 | -7.233600422770055 | -7.903808543928455 | -7.873761469818752 | -7.892387964934656 | -6.669149890255043 | -7.051271359713011 | -6.5069853600092395 | -7.215056897334382 | -6.938892894672902 | -7.352541450143073 | -6.858044241695746 | -6.886709936685395 | -6.559058073738917 | -7.784290665072723 | -7.618521434958117 | -7.766397690425442 | -7.405231905825622 | -7.309729796496596 | -7.6353875286712025 | -7.4656437224693155 | -7.13553963750841 | -7.400059664335924 | -7.38879074409817 | -7.424666327703583 | -7.413940984742568 | -7.460514049192014 | -7.5708696542925455 | -7.282071351757928 | -7.714086749289361 | -7.836547864430413 | -2.42083986927837 | -3.3650785642419807 | -1.9919018440953462 | -3.416005367437351 | -5.710985915652755 | -5.968050409326718 | -3.153035722682468 | -3.1048066176074856 | -4.542710940284229 | -2.9844888907352383 | -2.2911793872605486 | -1.9700299224945126 | -1.893740789275195 | -1.761425920517681 | -3.0045926060215358 | -1.9126359860488182 | -1.892323213261376 | -1.7660204151892196 | -5.012975399061176 | -3.8935243020409804 | -1.4185569759572276 | -1.6966146745894186 | -2.3723792451445864 | -2.890224481397738 | -2.931424238953222 | -2.8165995321292874 | -4.59427778920638 | -3.7372537313611813 | -3.494925672707133 | -4.908650136656066 | -3.2822284499117584 | -2.975035775155338 | -3.253522152414924 | -2.7721136201454257 | -2.7960070425309076 | -3.147622378713699 | -5.092297642492892 | -4.706072445275565 | -2.6317675031592747 | -3.9153823220250734 | -3.2868279394701063 | ||||||||||||
| 257.104 | sn-Glycero-3-phosphocholine [-H(+)] | cpd:C00670 | -7.6055717188598235 | -7.712841419641024 | -7.736184193586254 | -7.5507510719726545 | -7.3707176564461 | -7.380511731312689 | -7.209851721902475 | -7.177677001704441 | -7.43453296767216 | -7.352579782549612 | -8.118094449446104 | -7.316193189498142 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | ||||||||||||
| 259.024 | D-Fructose 6-phosphate [-H(+)] | cpd:C00085 | D-Glucose 1-phosphate [-H(+)] | cpd:C00103 | D-Mannose 6-phosphate [-H(+)] | cpd:C00275 | D-Mannose 1-phosphate [-H(+)] | cpd:C00636 | alpha-D-Glucose 6-phosphate [-H(+)] | cpd:C00668 | D-Fructose 1-phosphate [-H(+)] | cpd:C01094 | beta-D-Fructose 6-phosphate [-H(+)] | cpd:C05345 | -7.25499835935152 | -7.420356553758224 | -7.769504434239958 | -7.774039973021175 | -7.745049157703819 | -7.521712514432637 | -7.783233573522584 | -7.43838681039185 | -7.869026900943981 | -7.915335375428662 | -7.9896707970596035 | -8.127010834099577 | -5.190080122628677 | -6.073675241443215 | -6.137795500879526 | -4.928244243878041 | -4.341789999829207 | -4.141878640217103 | -5.821513212823525 | -5.319903439613301 | -4.524651476532704 | -5.740407074205692 | -5.426619721956519 | -5.948432398413105 | -5.529211666465372 | -5.533280768454979 | -5.937590862909771 | -5.782866012060461 | -5.375870498893203 | -5.744093347366297 | -5.806650639001133 | -5.842436794019793 | -5.674484351234565 | -5.598307605515483 | -6.168365819906369 | -6.019337994145198 | -5.739295789248365 | -5.622509592059917 | -6.145322164459852 | -5.810071689274265 | -6.066433366133051 | -5.184301842454495 | -5.0990182508270365 | -4.7396620735409085 | -5.712481638989668 | -5.438140337772464 | -5.397159775021359 | -5.390935989270089 | -4.888550067506889 | -5.768742012010862 | -5.405035553374953 | -5.799609609778133 | -5.7082447590551375 | -6.800950166606819 | -6.882204628338399 | -6.932888173685477 | -6.701787236974524 | -6.757449034587154 | -6.94391821006667 | -6.798435098246331 | -6.970285806829242 | -6.722506677800237 | -7.09519305728453 | -7.235682236687594 | -6.9913236088943105 | -7.693099235312458 | -7.12964568336361 | -7.151168180005461 | -7.742057159619503 | -7.559552612747129 | -7.610545796174618 | -6.435775266528307 | -6.332166901263854 | -6.575141564012636 | -6.605389386725673 | -6.282884639922321 | -6.440961329977175 | -6.602032297058492 | -6.308587638328361 | -6.574627858739692 | -6.4358942187820185 | -6.943107223963746 | -6.6066498877064115 | -6.563637900811934 | -6.525681323584935 | -6.863255120009959 | -6.793319726851261 | -6.745360838769834 | -6.678304821962865 | -6.804996583054356 | -6.728178843162611 | -6.386541905645969 | -6.378116654829819 | -6.536098637486402 | -6.28596210322833 | -6.433083090706622 | -6.559423600565202 | -6.621828086347163 | -6.329965699531377 | -6.233070956597352 | -6.062404340403178 | -6.329397073378514 | -6.011860677405933 | -6.117019759784403 | -5.885450017753953 | -6.165105606730591 | -6.263062956357977 | -6.409450349529844 | -5.934906228252665 | -6.141900944329966 | -6.10699020519944 | -6.532286777614512 | -6.256727711983817 | -5.354375720937425 | -6.692088514189428 | -6.384628257158714 | -6.490911603060604 | -6.681424233525641 | -6.409153678469603 | -6.1953947252352535 | -6.197836601618635 | -6.455644428785586 | -6.296452490222444 | -5.626751390015608 | -7.0474723506515575 | -7.142085886612673 | -6.081232500184854 | -6.13238022843139 | -5.678669103057265 |
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| # Mean fold change values, corrected using median metabolite fold change values per batch | ||||||||||||||||||||||||||||||||||||||||||||||||
| Mean FC values (based on 2^log-average, or arithmetic mean of log values) | M129_timecourse_6h_3 | M129_timecourse_24h_3 | M129_timecourse_48h_3 | M129_timecourse_96h_3 | 24h_timecourse_4 | 48h_timecourse_4 | 6h_timecourse_4 | TF173_MPN303_5 | TF178_MPN250_5 | TF187_MPN674_5 | Tn051_MPN051_5 | Tn674_N/A_5 | WT_WT_5 | dldh,NoxE_N/A_5 | AA_perturbation_6 | Fe_perturbation_6 | Glu_perturbation_6 | Gly_perturbation_6 | KO51_mutant_6 | Ox_perturbation_6 | TF173_mutant_6 | TF183_mutant_6 | TF414_mutant_6 | TF462_mutant_6 | TF463_mutant_6 | Tn674_mutant_6 | blank_control_7 | Gly_ctrl_perturbation_7 | TF173_mutant_7 | TF178_mutant_7 | TF184_mutant_7 | TF187_mutant_7 | TF413_mutant_7 | TF462_mutant_7 | TF463_mutant_7 | Tn051_Gly_perturbation_7 | Tn674_mutant_7 | WT_perturbation_7 | WT_noGluc_perturbation_7 | water_control_7 | ||||||||
| Batch | 3 | 3 | 3 | 3 | 4 | 4 | 4 | 5 | 5 | 5 | 5 | 5 | 5 | 5 | 6 | 6 | 6 | 6 | 6 | 6 | 6 | 6 | 6 | 6 | 6 | 6 | 7 | 7 | 7 | 7 | 7 | 7 | 7 | 7 | 7 | 7 | 7 | 7 | 7 | 7 | ||||||||
| m/z | metabolite | KEGG ID | ||||||||||||||||||||||||||||||||||||||||||||||
| 59.015 | Acetate [-H(+)] | cpd:C00033 | 0.41391304742582036 | 0.5688158946859657 | 0.37885482151304395 | 0.32973165794624637 | 0.9561460140375926 | 0.7518169456012357 | 1.1450515023070658 | 1.1457843328906872 | 0.7845822707880752 | 1.0750704080567381 | 1.0510079074411252 | 0.9318137735433951 | 1.2380674908668747 | 0.9359332458747276 | 0.9113795810145321 | 0.852551503357438 | 0.6798857787829208 | 1.0449705553605604 | 0.7937564770008588 | 1.1016810572099287 | 1.0729652389738658 | 1.0973358666007702 | 0.9697431103555777 | 0.9607452995824489 | 0.9195223241493222 | 0.833589863843349 | 1.154952918276792 | 0.981959434640156 | 0.9673732150584232 | 1.0268935132679728 | 1.1155317582130444 | 1.2716099467556208 | 0.9709196779470484 | 1.0074737667335838 | 1.0933095402184903 | 0.8553547463253761 | 1.0945056565246152 | 1.1431397707801667 | 0.4671331686436608 | 0.8899824227431168 | ||||||
| 74.026 | Glycine [-H(+)] | cpd:C00037 | 1.5206772494372642 | 1.3448094948840827 | 1.5526233284134083 | 1.1335420224850683 | 0.965484730917634 | 0.9541750169578833 | 1.0577342447153437 | 0.9302510932264458 | 1.0384199095006081 | 0.9826494254477719 | 1.045193717636583 | 0.916098500248387 | 1.0056240277690596 | 0.9252703593737858 | 3.462410469513057 | 1.1481929886985658 | 0.8834117809228381 | 0.9466296004428911 | 1.018166205957791 | 1.0471744718362497 | 1.0712509335120928 | 1.0419109761584542 | 0.9145393647946664 | 0.9163176060752098 | 0.9266800756912654 | 0.9903503348378949 | 0.8928815770036378 | 1.0389452326830024 | 0.9053862366274343 | 1.0731282002755842 | 1.093671594763739 | 1.1052472330107743 | 0.9945789010885143 | 1.094430438546337 | 0.9881335616844324 | 0.9342316639678016 | 1.1532989849311064 | 0.9820288656138665 | 0.7775261757291676 | 0.7537743486764925 | ||||||
| 87.007 | Pyruvate [-H(+)] | cpd:C00022 | 0.8797015915680265 | 2.7374863962936766 | 2.338193815367179 | 3.3360709322117006 | 1.3970435171617932 | 0.7337676070499917 | 1.2865308894761802 | 0.9155042618947604 | 1.191668693096022 | 1.1140245516271972 | 0.9323936485266614 | 1.0353018537053342 | 1.1164299162775757 | 1.0378719754374617 | 0.8053354764714313 | 1.43944968304706 | 0.668011840300417 | 0.8661809979368797 | 0.5698579578583572 | 0.6258323614751383 | 1.2622486195052551 | 1.1904149488374918 | 1.180978798678424 | 1.3715708810851885 | 1.2484426980360308 | 0.9747916486147639 | 0.9943580854516526 | 1.095758035135992 | 0.827698885767989 | 0.9816344940774957 | 1.130305011140209 | 1.1773201911344218 | 0.8464623836926792 | 0.9931651366095623 | 1.1473164467083397 | 0.8626007535638385 | 0.9920416126671212 | 1.1173118290393027 | 0.794195072388656 | 1.7019953463280864 | ||||||
| 88.041 | L-Alanine [-H(+)] | cpd:C00041 | 1.2368512606020607 | 1.2220611673975141 | 1.105003253417283 | 1.2289303841965544 | 1.0438262312659419 | 0.9873187530868657 | 1.009232546540726 | 1.0424226092755988 | 0.8558688098832956 | 1.0571132450543936 | 0.9823141361780251 | 0.8600910409911406 | 1.1852980328928011 | 0.9411253176634882 | 0.9666648757927401 | 1.009586876335 | 0.9412555788572994 | 1.1316230811277455 | 0.9739830534997083 | 0.9831026455040576 | 0.9885782740673127 | 0.9908615589252504 | 0.9713473348801289 | 1.0144639083640565 | 1.0190623427685417 | 0.9518712195618395 | 0.9864104847505082 | 1.0137443842384628 | 0.984197816577571 | 1.0099564603061428 | 1.002798972876265 | 1.0222851905285937 | 1.032102280165311 | 1.011821357451743 | 1.0504249977573772 | 0.976598585042909 | 1.0054622520969887 | 1.0181787471139843 | 0.948327496741061 | 0.9843073140249963 | ||||||
| 89.026 | Glycerone [-H(+)] | cpd:C00184;(S)-Lactate [-H(+)];D-Glyceraldehyde [-H(+)];cpd:C00577;cpd:C00186 | 4.417133743499332 | 2.9298699297752293 | 2.5672020478787 | 4.602604875184193 | 0.9946861655399597 | 1.1628465844455855 | 0.914571306824668 | 1.0932893318488786 | 0.8981233182661972 | 1.0743622858008075 | 0.9740443126993568 | 0.9207506358111854 | 1.2291484036733396 | 0.9568804995538286 | 1.0425289639423354 | 1.1466695964418765 | 0.7373586104367713 | 1.1068825843826038 | 0.8557517091046446 | 0.888212650660439 | 0.8822566512769306 | 0.883720302410986 | 0.9021603917521043 | 1.1223432438159062 | 1.0156344300125493 | 0.8553952306953854 | 0.9830804596225372 | 1.2179904119115694 | 0.8505198286482081 | 0.9955268960659669 | 1.2183798643730444 | 1.1170525391316413 | 1.0266944896431083 | 1.048577584066447 | 1.1267483803713372 | 0.7690066999088697 | 1.12232187815572 | 1.1275952337094806 | 0.7453794361827465 | 0.8488585524528128 | ||||||
| 91.04 | Glycerol [-H(+)] | cpd:C00116 | 0.5798151314075234 | 0.6752602012859396 | 0.6866504223450816 | 0.8306092562658068 | 1 | 1 | 1 | 1 | 1 | 1 | 1 | 1 | 1 | 1 | 1.5639994031690554 | 1.0049358756768763 | 0.8400268458577694 | 19.51764066618491 | 0.6203475977034821 | 0.8201471819121742 | 0.9477340294151969 | 1.001576232938 | 1.0572564303808436 | 1.034249620863652 | 1.272288409150704 | 1.1368986869686597 | 1.1131630690294188 | 9.979665526717959 | 0.8093059476688843 | 0.9829570747403262 | 1.0408124212453604 | 1.066472884569876 | 0.8414972719540641 | 1.01430022837862 | 0.9629230730596118 | 2.2565417981946796 | 1.353392297621366 | 1.1363116432385623 | 0.7786515050338156 | 1.5250084472015668 | ||||||
| 94.03 | Glycine [+F(-)] | cpd:C00037 | 1 | 1 | 1 | 1 | 1 | 1 | 1 | 0.9912191854602971 | 0.7205464024722456 | 1.097192073048719 | 1.0840463358773709 | 0.8949473441421443 | 1.3278955456321142 | 1.1056169309502706 | 1.0458125864031043 | 0.9621770398299262 | 0.9110885746061976 | 1.200581862762013 | 0.9099630054289263 | 1.3214917123405687 | 1.0168159252784859 | 1.1750587737195572 | 1.0003211803239895 | 0.9335213481295008 | 0.9890147023374564 | 0.9862650397966182 | 1.152330243047607 | 0.6041696272975875 | 0.7051235404769879 | 1.2256319305330223 | 1.3478163709400877 | 1.580079112464916 | 0.7479442350574392 | 1.2666915621268948 | 0.8408903745784042 | 0.6342973154809682 | 0.8573748038487915 | 1.0486439464189692 | 0.42311064263103804 | 1.0186402343134642 | ||||||
| 96.97 | Orthophosphate [-H(+)] | cpd:C00009 | 0.42149980670454945 | 0.5011606203572979 | 0.5489062999839617 | 0.6723582455940159 | 1 | 1 | 1 | 1 | 1 | 1 | 1 | 1 | 1 | 1 | 1.0894713186658456 | 1.0470558676709212 | 0.8366368367928533 | 0.8806683246494331 | 0.6873690416788762 | 0.9159426407470742 | 1.1246447429985607 | 1.122611059622912 | 0.9759027492170833 | 0.9997139000406485 | 1.0222666217074121 | 1.0534487676108282 | 1 | 1 | 1 | 1 | 1 | 1 | 1 | 1 | 1 | 1 | 1 | 1 | 1 | 1 | ||||||
| 104.036 | L-Serine [-H(+)] | cpd:C00065 | 1.857801319510743 | 1.559573023870503 | 1.30457890942706 | 1.1488171487386278 | 0.9698019279009059 | 0.911334113617606 | 1.1361070605382189 | 1.0929418901853865 | 1.0075976570660934 | 0.9789740137308259 | 0.9656525058646672 | 0.8956165047290918 | 1.0495131871908667 | 0.9478413003053296 | 2.0752656314828046 | 1.1587393830679114 | 1.0289619366169207 | 0.9861742822757824 | 1.0143828793916905 | 0.8178933544735546 | 0.9678184599506023 | 0.9503344894478941 | 1.0442108620529431 | 1.0619281776536813 | 1.0364423256455928 | 1.0783266532639866 | 0.874111711482386 | 0.9637186533711166 | 1.0070583785166103 | 1.040670281924698 | 1.0988009371383893 | 1.0392058359230407 | 1.1046045048872857 | 0.998646625214207 | 1.127695681387717 | 0.9693277333495709 | 0.9114832329942786 | 1.0174662682327995 | 0.7804746824100788 | 0.6633891244217024 | ||||||
| 107.013 | Pyruvate [+F(-)] | cpd:C00022 | 1 | 1 | 1 | 1 | 1 | 1 | 1 | 1 | 1 | 1 | 1 | 1 | 1 | 1 | 1 | 1 | 1 | 1 | 1 | 1 | 1 | 1 | 1 | 1 | 1 | 1 | 1.1547394941962235 | 0.9692586486410961 | 0.9393911117728905 | 0.9573898027381185 | 1.0885737547523144 | 1.09344838944688 | 0.987070250769684 | 0.9574116858874997 | 1.0127120701071333 | 0.8859164588313764 | 1.0032463653676922 | 1.0665015306825796 | 0.7422309699098333 | 1.203334868782894 | ||||||
| 108.046 | L-Alanine [+F(-)] | cpd:C00041 | 1 | 1 | 1 | 1 | 1 | 1 | 1 | 1 | 1 | 1 | 1 | 1 | 1 | 1 | 1.1135859667846182 | 1.0132027025892065 | 0.9962126284009225 | 1.0912196977961381 | 0.7744800649013515 | 1.136675645027636 | 1.0516765230606653 | 1.1065445961276856 | 1.0524123047079892 | 0.9397482647217115 | 1.098673655116237 | 1.022632653320455 | 1.099107518683113 | 0.9861166099598755 | 0.7726320458011524 | 1.0647941266193208 | 1.078650908511294 | 1.1691939741450827 | 0.742037118828084 | 1.0731701803041707 | 0.951930213135304 | 0.8502048197939351 | 0.7843731829237175 | 1.1016698742965194 | 0.7383869550052833 | 1.638392159834781 | ||||||
| 109.03 | Glycerone [+F(-)] | cpd:C00184 | 1 | 1 | 1 | 1 | 1 | 1 | 1 | 1 | 1 | 1 | 1 | 1 | 1 | 1 | 1.0368075171065092 | 0.9878424321387262 | 0.9660596781960581 | 0.8617116737587952 | 0.7602414373849116 | 0.8736724088998133 | 1.2706732061418669 | 1.117190820643546 | 0.9991389400731874 | 0.9482854599194283 | 0.9837263174726587 | 1.001524792815123 | 1.0144670294072498 | 1.1625193485952159 | 0.8121631307264842 | 0.9898661801129512 | 1.0561767992874278 | 1.1453011279379364 | 0.8117698429090315 | 1.0117348905759818 | 1.006745959362943 | 0.8444032666351432 | 0.964388951017387 | 1.125649544944429 | 0.7591966864903461 | 1.6407747324968738 | ||||||
| 111.02 | Uracil [-H(+)] | cpd:C00106 | 0.9804113062199368 | 1.261521361563231 | 1.0435300714193458 | 1.110631797002001 | 1.0539281015608473 | 1.0665278911113483 | 0.9191101376525035 | 0.9278915644687159 | 0.9229543305585396 | 1.1722917810675246 | 1.098710222404499 | 1.02338928940067 | 0.971301913884809 | 1.1408085380314967 | 1.067929459592195 | 1.1496621472721038 | 0.854454919978604 | 0.8895935419907053 | 0.8590132892841649 | 0.8729514840877186 | 1.0192238417848878 | 0.9470960770374867 | 0.92444283648131 | 1.0407229299105671 | 0.9933831419904868 | 0.9993142674012663 | 0.9944499558321942 | 1.0638031331512752 | 0.8776970879533158 | 0.9969632930462775 | 1.0278643973921244 | 0.974959147248591 | 0.9907164339876025 | 0.942341023282373 | 1.0736053780597206 | 0.9650965608117947 | 1.0141185250134204 | 1.0947370133373147 | 1.0135627334191428 | 1.3663854207455606 | ||||||
| 111.045 | Glycerol [+F(-)] | cpd:C00116 | 1 | 1 | 1 | 1 | 1 | 1 | 1 | 1 | 1 | 1 | 1 | 1 | 1 | 1 | 1 | 1 | 1 | 1 | 1 | 1 | 1 | 1 | 1 | 1 | 1 | 1 | 1.065496815466297 | 1.202770030984217 | 0.7900554889505379 | 1.0062453975021017 | 1.0260143783195563 | 1.1149606963541123 | 0.8052138267874409 | 1.0045684361325256 | 1.0281590003655547 | 0.8793175564426604 | 0.9132876530964531 | 1.1009318571087499 | 0.7560630867388879 | 1.7184148656264537 | ||||||
| 114.056 | L-Proline [-H(+)] | cpd:C00148 | 1.6806288858901461 | 1.1146618873148513 | 1.2773970297346264 | 1.1460898881720978 | 1.0139273628742915 | 1.1330505709002772 | 0.8837895809992957 | 1.1056743824905855 | 0.8463112260060334 | 0.9338288382587858 | 1.0220744287814214 | 0.7865061613891406 | 1.030920449623625 | 0.9326069817988787 | 0.9658291193257292 | 0.6514483247651034 | 1.672312565234211 | 1.0104140623262716 | 1.1437595350627487 | 0.8023467700876665 | 1.126101154703407 | 1.3384652918479474 | 1.182666798657844 | 0.9487616826672544 | 1.0841145287816643 | 0.8420082475547329 | 0.6566105101558711 | 0.8921002013044114 | 1.0043395987733983 | 1.0426269965603856 | 1.0087652837690222 | 1.0686817539317575 | 1.1298834675799472 | 0.9525030954373779 | 0.9903417025638832 | 0.9370996485258952 | 0.9018769221069843 | 0.9907173903231173 | 0.9211285176399862 | 1.1667934201888832 | ||||||
| 116.072 | L-Valine [-H(+)] | cpd:C00183 | 1.0687572276701416 | 1.077815076415481 | 1.1109171144509125 | 1.1023503831720474 | 0.9893385857559677 | 1.0408985608338317 | 0.9390061513037719 | 1.0363144153234631 | 0.9644718155439828 | 0.9913616435326887 | 1.0227773361548216 | 0.9971927401000111 | 0.9709102277740453 | 1.0314706385774939 | 0.97786465100529 | 0.99103578139255 | 1.0019551694961173 | 1.1109326814375513 | 1.0301251978104495 | 1.056558569611158 | 0.994617168191768 | 1.0119174301096876 | 0.9616253377900412 | 1.0222101388503737 | 0.970808268607114 | 0.9819928369564784 | 0.936205494716975 | 1.0153355107226487 | 0.9278384017074033 | 1.0036433626893548 | 1.006324144959087 | 0.9701958353765013 | 0.9820452866910296 | 1.0147795090021245 | 1.0018428175464802 | 0.9723296688581549 | 1.0400574788936734 | 1.0218896524995698 | 1.0192556082673432 | 1.0416512894209213 | ||||||
| 116.973 | Orthophosphate [+F(-)] | cpd:C00009 | 1 | 1 | 1 | 1 | 1 | 1 | 1 | 1.0588754116486818 | 0.9793356674791058 | 0.9774603163532479 | 0.9707128609106083 | 1.178395189346997 | 0.9994795294440935 | 1.0465619842388048 | 1.0102262100264807 | 1.0304655897246295 | 0.7462210804560159 | 1.0844239772511532 | 0.7284372640339591 | 1.0595455377188734 | 1.1303180147925485 | 0.960650513167239 | 1.0898274957531902 | 1.230432349419936 | 0.8646014833343768 | 1.1278013043942394 | 1.0047823395690427 | 0.8670189553397901 | 0.9170048774220466 | 0.9554784448385469 | 1.1371190536148559 | 1.1427154764709164 | 1.2370004844545417 | 1.2686952944816487 | 1.1790141589742733 | 0.9484467077458131 | 0.8803700407968168 | 1.174734788531109 | 1.0000368728565787 | 0.5858342689820738 | ||||||
| 118.051 | L-Threonine [-H(+)] | cpd:C00188 | 1.8241368236349775 | 1.3855871638979143 | 1.3915248714995487 | 1.086546603489453 | 0.9943699012022683 | 0.9998588037469006 | 1.1180514297400752 | 1.0415051399126087 | 1.0040760437753407 | 1.005610271226301 | 0.9811003501579605 | 0.9551459659848915 | 1.0387079929710679 | 0.9924942568693316 | 1.1282859999628576 | 1.0879026993237113 | 0.97736023809063 | 1.0185266736863134 | 1.045184277574727 | 0.9388813098639912 | 0.967796877554864 | 1.023074516674727 | 1.0918808848375081 | 1.0275234266334667 | 1.0374422989035128 | 1.0597454771423087 | 0.9326244091551017 | 0.9296292520138794 | 1.0071545809370839 | 1.0133429408453407 | 1.0642100489761672 | 1.0753150100148956 | 1.0502418828125746 | 1.0329271413552135 | 1.0581851250990804 | 0.9697402912812737 | 0.9407576222710657 | 1.0053013191314768 | 0.7872699793907647 | 0.7627661692470777 | ||||||
| 120.012 | L-Cysteine [-H(+)] | cpd:C00097 | 0.6801732488555677 | 0.825987818795577 | 0.9371232165107616 | 0.7727068773979846 | 1 | 1 | 1 | 1 | 1 | 1 | 1 | 1 | 1 | 1 | 0.6178379906750927 | 0.6934985029672223 | 0.7774833270492454 | 0.7041214253436872 | 0.544801635378649 | 0.7711612024872141 | 0.782750175211525 | 1.2361082402816066 | 0.8885034702746599 | 1.0196815577368445 | 0.9077694468589108 | 0.6945755569609906 | 1 | 1 | 1 | 1 | 1 | 1 | 1 | 1 | 1 | 1 | 1 | 1 | 1 | 1 | ||||||
| 122.025 | Nicotinate [-H(+)] | cpd:C00253 | 0.6786176229375497 | 0.8532196144136822 | 0.7788806679051207 | 0.8492757546143518 | 1.0297580438417828 | 1.016138770788094 | 0.8827277499361426 | 1.0460424986825363 | 0.9347274436950433 | 1.204816587274626 | 0.9974477820570596 | 0.9124500485481025 | 1.2011011935019633 | 1.1290587423162517 | 0.9319016519740164 | 0.9744096069031902 | 0.8873831146333903 | 0.986358000848043 | 0.773762819536379 | 0.9872748246219224 | 0.9780543503211793 | 1.1945635454425478 | 1.0596203107513373 | 1.0128974130179897 | 1.0921401758890328 | 1.024945613043648 | 0.9923603907883283 | 0.7330412142662399 | 0.7410699340316398 | 1.0911989765562307 | 1.2304535677126007 | 1.3825476612416663 | 0.8367993708502662 | 1.2261903530087273 | 0.9734706134267087 | 0.715778609668067 | 0.9152913678107888 | 1.032165159271266 | 0.5262830338061093 | 1.3022854414146472 | ||||||
| 124.04 | L-Serine [+F(-)] | cpd:C00065 | 1 | 1 | 1 | 1 | 1.058361509354503 | 1.0231571048456074 | 0.8780142215122333 | 1 | 1 | 1 | 1 | 1 | 1 | 1 | 1.1044872758828248 | 0.9448393855873206 | 0.860268329034874 | 1.295459123945216 | 0.9043955234005905 | 1.446457862015486 | 0.9306717313047662 | 1.0238332584323284 | 0.9411219246104148 | 1.0165225594567437 | 0.9883657661664892 | 0.8793199069231216 | 1.0802054596907344 | 0.7229053256674952 | 0.713241605032368 | 1.1148193148125485 | 1.2580395936542308 | 1.413013126566973 | 0.71858890751437 | 1.2297112501764067 | 0.8533902274995184 | 0.685175856530602 | 0.7849797244050949 | 1.019868678959831 | 0.5323345641820858 | 1.2152105356491536 | ||||||
| 125.036 | Thymine [-H(+)] | cpd:C00178 | 1 | 1 | 1 | 1 | 1 | 1 | 1 | 1 | 1 | 1 | 1 | 1 | 1 | 1 | 1.4710959028419441 | 1.067172690696047 | 0.8201172621115509 | 0.9091493884390769 | 0.7869139560911629 | 0.9213830508115914 | 1.0828084156898716 | 1.1287020735030118 | 1.020405501146375 | 1.0650699110096697 | 1.0630295457679493 | 0.9647286346250382 | 1 | 1 | 1 | 1 | 1 | 1 | 1 | 1 | 1 | 1 | 1 | 1 | 1 | 1 | ||||||
| 130.087 | L-Leucine [-H(+)] | cpd:C00123 | 0.9734584193364941 | 0.9768281825447362 | 1.0019887344570477 | 1.0453675799800155 | 0.9965654250009032 | 1.066957105330482 | 0.9890989892301996 | 0.978790191812287 | 0.9991442253104751 | 1.0163511629030466 | 1.0226991903415572 | 1.035007039383335 | 0.966744835654976 | 1.056925300776802 | 0.9863349387149135 | 1.000646863224435 | 0.9573665282175428 | 1.050364119619851 | 1.0377394258011208 | 1.0674278038488991 | 0.9807571523085354 | 0.9885041682480318 | 0.9940161774179418 | 0.9832407533763879 | 0.9857115602712807 | 1.0124290437889587 | 0.9988877836312041 | 1.0235744797322484 | 0.9755706340548372 | 0.9843155946020008 | 0.9897565980469267 | 0.9775856870406059 | 0.9697189369431988 | 1.0247398137003925 | 0.9900080827915936 | 0.9983607622309221 | 1.032701515834108 | 1.017776311110325 | 1.0408731833112856 | 1.0654675134511802 | ||||||
| 131.045 | L-Asparagine [-H(+)] | cpd:C00152 | 1.17512048549248 | 1.4449825516263652 | 1.1059044626140828 | 0.9416283344095068 | 1.0053172087641749 | 0.8477809923898992 | 1.086153063453008 | 0.903832278734902 | 0.9534848056577612 | 1.0013651895052034 | 1.0455260934817707 | 1.0148673765615626 | 1.0395454688889103 | 1.0627303899096407 | 4.29814540532944 | 1.4056773946652648 | 0.9007927695755958 | 0.9299064815775002 | 0.8484477524781443 | 0.9763153804528436 | 1.1095076477214476 | 0.9923911975762207 | 1.0744346413619528 | 1.1439069495094074 | 1.0854184819683337 | 1.1430917993628342 | 1.0828127107189138 | 1.071184343722093 | 0.9923685621181046 | 1.0022787013859498 | 1.0220566293696085 | 1.0246434019217785 | 1.0056938305186247 | 0.9775927434669907 | 1.1549483091895072 | 0.9997980726187464 | 0.9276685987653858 | 1.0700783976963721 | 0.8628730360512707 | 0.9642368600046554 | ||||||
| 131.082 | L-Ornithine [-H(+)] | cpd:C00077 | 2.4451456777703306 | 2.8254735011392533 | 2.9314130553223667 | 1.996880873125389 | 1.0550962917411095 | 1.0225580901713884 | 1.0278984907455055 | 0.978382865782262 | 1.1733310490440296 | 1.0855323241628216 | 0.9473051637003265 | 1.0896587097730235 | 0.9082395862128301 | 1.000201289288237 | 1.0562865789269014 | 1.003730437848815 | 0.9283916583584325 | 0.8342897715160469 | 0.8234884024592144 | 0.9235025651870786 | 1.1191172079227194 | 1.0658971574588514 | 0.9828385682883647 | 1.0446295526230103 | 1.0107942156109961 | 0.989172586814099 | 1.3573636874963997 | 1.1398248173878385 | 1.0744374562748045 | 1.1821621341705282 | 0.9425728062154 | 1.0038673736181212 | 1.0567530845787405 | 0.8536782246938619 | 1.0460783669184168 | 1.0896932098430347 | 0.8956743582597236 | 1.0178710309378673 | 0.8528858564753719 | 0.5447235905322068 | ||||||
| 132.03 | L-Aspartate [-H(+)] | cpd:C00049 | 1.8889364165836902 | 1.1639289589982147 | 1.5052633124675543 | 1.2971074234992914 | 1.0770732321917686 | 1.1930032462398592 | 0.8248235993962763 | 1.1278926895374406 | 0.8725533204898135 | 0.9089966470899724 | 0.9473910573040975 | 0.7654185748112469 | 1.2099276859001404 | 0.896177542075205 | 1.0258772640437415 | 0.9280758277941971 | 1.0610278651273692 | 0.9227511094767107 | 0.8973318522536793 | 0.869652155272092 | 1.1460016886459 | 1.1412371960767338 | 1.1112326431767585 | 1.044830127416982 | 1.1753121240557158 | 0.9661185824202239 | 0.7166892210861998 | 0.9681978095685044 | 1.0140279499204785 | 1.0501987167763376 | 0.993734595947632 | 1.10931348116237 | 1.1672424128180983 | 0.9671149013623768 | 1.0598513148847508 | 0.9052273906985041 | 0.8731487211214116 | 0.9650944507485529 | 0.9011393653773361 | 0.670469593039643 | ||||||
| 134.029 | L-Homocysteine [-H(+)] | cpd:C00155 | 1.1034812800100886 | 0.9314143882697412 | 0.8645928000531585 | 1.1071816174940499 | 1 | 1 | 1 | 0.931698803473651 | 0.8098001927494335 | 1.113049967762247 | 1.007746491700204 | 0.9309180707062151 | 1.1508243646468208 | 1.157163102150252 | 1 | 1 | 1 | 1 | 1 | 1 | 1 | 1 | 1 | 1 | 1 | 1 | 1 | 1 | 1 | 1 | 1 | 1 | 1 | 1 | 1 | 1 | 1 | 1 | 1 | 1 | ||||||
| 134.047 | Adenine [-H(+)] | cpd:C00147 | 1.2598398720329274 | 1.2383749471020744 | 1.3778350944629418 | 1.3718417509425376 | 0.993476249626437 | 1.1218411140827245 | 0.9267419793141181 | 1.0159196952502867 | 0.937955615430195 | 1.0000459931881314 | 0.8426549648024567 | 0.9452482089146607 | 1.0600264189377824 | 1.0242338795294763 | 2.0761174220337533 | 2.1412301963529314 | 2.34086890261305 | 1.7226756461233268 | 0.5489428250286438 | 1.7335566950808885 | 2.241470650773031 | 2.305843680615942 | 2.150345605160993 | 2.206089942078066 | 2.213692860154681 | 2.280305437590958 | 0.8100955094823922 | 0.9568005213018075 | 1.0446010646651096 | 1.00463656447892 | 0.9630134607328378 | 0.9179880123094326 | 1.1343492813009997 | 0.9489935768452255 | 1.0471966141208084 | 0.9526335484655318 | 0.901981008343963 | 1.0334247160855627 | 1.0980351724936457 | 1.0450507280692714 | ||||||
| 134.061 | L-Proline [+F(-)] | cpd:C00148 | 1 | 1 | 1 | 1 | 1 | 1 | 1 | 1 | 1 | 1 | 1 | 1 | 1 | 1 | 1.1821326315285001 | 1.152268910053751 | 1.0482231900408165 | 0.9643305005095086 | 0.6416091083869672 | 1.3283476480770335 | 1.2149471513237258 | 1.1755395794616688 | 1.139721551041754 | 1.1824534465126098 | 1.1636081972869114 | 1.1612308988015498 | 1 | 1 | 1 | 1 | 1 | 1 | 1 | 1 | 1 | 1 | 1 | 1 | 1 | 1 | ||||||
| 136.077 | L-Valine [+F(-)] | cpd:C00183 | 1 | 1 | 1 | 1 | 1.0640815812244446 | 1.1640480743350343 | 0.8507751661354597 | 0.7489586992237919 | 0.8563120600807905 | 0.9325947232951884 | 1.1323599658852095 | 0.9242733148504076 | 0.9330233347586088 | 1.1509622903665855 | 1 | 1 | 1 | 1 | 1 | 1 | 1 | 1 | 1 | 1 | 1 | 1 | 1.0617988536086487 | 1.0636909084022719 | 0.8502825326984962 | 1.0162545996159014 | 1.0084407441677579 | 1.0021657527176766 | 0.8038052866475083 | 0.9685015691347676 | 0.9593821546758102 | 0.8968453318123466 | 0.8409547949037248 | 1.1039730257188414 | 0.8734037433079619 | 1.4203079942648513 | ||||||
| 138.056 | L-Threonine [+F(-)] | cpd:C00188 | 1 | 1 | 1 | 1 | 1.0356150266532749 | 1.0781051220968867 | 0.7419216813027361 | 0.8594066376220401 | 0.8399111557534756 | 0.9775549558929082 | 1.1642598301963285 | 0.9837471123429343 | 0.9888097769730206 | 1.1576708745586632 | 1.0179764730294414 | 1.074482128665557 | 0.8735797845848705 | 0.9651371606752731 | 0.7840450716734214 | 0.9858534447120902 | 1.0858685917668007 | 1.1456013167682304 | 1.0237062522302938 | 1.0341092088647348 | 1.0813246649527597 | 1.0289249977588713 | 1.07793038517362 | 1.0079906502368021 | 0.8430041774787065 | 1.0415050025123527 | 1.0431891986171495 | 1.0642922654278244 | 0.8471684488528196 | 0.9784610148605692 | 0.9982113690637745 | 0.8878769132451111 | 0.8653744021446954 | 1.1085916988702325 | 0.763103301300421 | 1.5912457079561917 | ||||||
| 138.98 | Acetyl phosphate [-H(+)] | cpd:C00227 | 0.8013140202239748 | 0.7931605862806308 | 0.9358276246763862 | 0.7435736698494895 | 1 | 1 | 1 | 1 | 1 | 1 | 1 | 1 | 1 | 1 | 1 | 1 | 1 | 1 | 1 | 1 | 1 | 1 | 1 | 1 | 1 | 1 | 1 | 1 | 1 | 1 | 1 | 1 | 1 | 1 | 1 | 1 | 1 | 1 | 1 | 1 | ||||||
| 139.975 | Carbamoyl phosphate [-H(+)] | cpd:C00169 | 1 | 1 | 1 | 1 | 1 | 1 | 1 | 0.9245120231816851 | 0.8143339661550933 | 1.0546660042084999 | 1.1059203219941833 | 0.9728659168346714 | 1.2171539167561007 | 1.1518551203482257 | 1 | 1 | 1 | 1 | 1 | 1 | 1 | 1 | 1 | 1 | 1 | 1 | 1.0767867554075397 | 0.9330272313013707 | 0.8670805744588357 | 1.0605536901291337 | 1.0393573184761848 | 1.052442390946533 | 1.0960868442722194 | 0.9237436803868233 | 1.0843509416853787 | 0.8250427236711673 | 0.934837763081247 | 1.0144887350678287 | 0.9438290843196805 | 2.306097273926699 | ||||||
| 145.041 | Thymine [+F(-)] | cpd:C00178 | 1 | 1 | 1 | 1 | 1.0055692346662954 | 1.1511734586045987 | 0.7046915793994158 | 0.8496636723526296 | 0.9291958137867183 | 0.9550650209933899 | 1.1347091956644104 | 0.9572848907477773 | 0.9719854429461287 | 1.1252573687353482 | 1.3024503601060475 | 1.1060270979770528 | 1.032291286092409 | 0.8586080314282291 | 0.6717205448808303 | 0.8199759423529228 | 1.0230876249172214 | 1.2646444079052706 | 1.1057661323630334 | 1.088163761896325 | 1.1398854260704208 | 1.0162656702779813 | 1.0635235344347156 | 1.1058391199945148 | 0.8695627774155156 | 0.9887040527526708 | 1.0031408433088775 | 1.076227270947853 | 0.7515430189532598 | 1.0154018515835679 | 0.989858254791348 | 0.9070451717426086 | 0.8309389174475663 | 1.1222837097778116 | 0.7800391204187872 | 1.5318111921285182 | ||||||
| 145.062 | L-Glutamine [-H(+)] | cpd:C00064 | 1.117191654880602 | 1.4777609369046394 | 1.46653732017076 | 1.2344329915137402 | 1.0264885759074542 | 0.9141551043470163 | 1.0452103901003522 | 0.8531905605046505 | 1.179084159478928 | 0.8604040556873457 | 0.9570792748374651 | 1.0843445700052117 | 0.8665237075031264 | 0.9988802664424037 | 2.179084913693663 | 1.2551865685180164 | 0.7610525640327502 | 0.8076089184063396 | 0.9314383513541737 | 0.8850831830841359 | 0.9914870156074659 | 0.8484713990603754 | 0.9536203237275651 | 1.0747467172787069 | 1.0466996535881337 | 1.0487683251763156 | 0.9026493049621382 | 1.2266483608958192 | 0.9726367038293223 | 0.9156107646826795 | 0.9841032373012938 | 0.8145856477428788 | 1.1166372340984132 | 1.0520802246907068 | 1.2745338520130562 | 1.168465351377596 | 1.0670990939610696 | 1.0137696440139246 | 1.087347668210805 | 0.5665453098453123 | ||||||
| 145.098 | L-Lysine [-H(+)] | cpd:C00047 | 3.670705048097771 | 3.815289983833292 | 3.766414033711174 | 2.5977295637308915 | 1.011905829138922 | 0.9662189248131032 | 0.9257253263307321 | 0.9986371516054171 | 1.3705652129222592 | 1.0827962955998005 | 0.8782953475248692 | 1.1121602154899972 | 0.9107783862116142 | 0.9463719962757372 | 1.0493043453832656 | 1.0537295412791596 | 0.9755462751318114 | 0.9011974544886717 | 0.9921027843658016 | 0.97651895396887 | 0.9870492643195949 | 0.9525420807822953 | 1.0015937481031547 | 1.0378100336541707 | 0.9992538214240436 | 0.9899827868067808 | 1.3615401547903918 | 1.1513121481624797 | 1.1027427388537274 | 1.1828904428270637 | 0.908623235702665 | 0.9810425651341624 | 1.1123903208259969 | 0.8225881911211461 | 1.0448377035300378 | 1.1101425722589537 | 0.9278836466257381 | 0.9752116005823711 | 0.8852838190949144 | 0.4217088622044454 | ||||||
| 146.046 | L-Glutamate [-H(+)] | cpd:C00025 | 1.4295520394402788 | 0.9797921340074581 | 1.1636280942684023 | 1.1353008072106505 | 0.9859631051742535 | 1.186478166546601 | 0.8353990038346158 | 1.0724531212475727 | 0.9049737121619305 | 0.9242512110583841 | 0.9364788363478942 | 0.7806173835466453 | 1.1259070831121798 | 0.8502151719676052 | 1.0444667675263204 | 0.9766455108289002 | 1.0114817246428036 | 0.890419911587263 | 0.9662169656131003 | 0.891225037429358 | 1.100591409034746 | 1.1095303918382347 | 1.101373542248368 | 1.0028330604193938 | 1.1492596256561671 | 0.968608453686186 | 0.8430594220726341 | 0.8833840952890355 | 1.0914672503129093 | 1.0320080526119901 | 0.992063403894916 | 1.1189916840520424 | 1.1499901838029616 | 0.941110010766342 | 1.0600473222372664 | 0.9310372803505245 | 0.7908394125747868 | 0.9651923383213789 | 0.93619646068706 | 0.6642914492592978 | ||||||
| 148.043 | L-Methionine [-H(+)] | cpd:C00073 | 0.9205440229898678 | 0.9590057552258305 | 0.9943952047775089 | 1.0009699252330537 | 1.0161874180762702 | 0.9111967095539029 | 1.0366147616085613 | 0.9643047853191281 | 0.9759671753680715 | 1.0146916467430338 | 1.0877227895614507 | 0.9749375126337941 | 1.1442059585102013 | 0.9941528153785585 | 0.9998334405620481 | 1.0316352303528344 | 0.9437049906951758 | 0.8529665855496366 | 1.0763072310716986 | 0.20844414390976423 | 0.9729777224493522 | 0.9469440417906276 | 0.9892044813184979 | 1.0180950240279492 | 0.9950650266369884 | 0.9851790568523544 | 1.0468479977263825 | 0.9139827662423488 | 0.9209712924345896 | 1.0593628525914645 | 1.107251307588401 | 1.1601161511006526 | 0.9423670146584002 | 1.07530949028993 | 0.9826821004934105 | 0.8990442369761663 | 1.04054991469391 | 1.0381915412137686 | 0.7824073144029117 | 0.9814544415176184 | ||||||
| 149.046 | D-Ribose [-H(+)] | cpd:C00121 | 0.9261565635497045 | 0.9577016094090565 | 0.8803072329645366 | 0.6574597804853082 | 0.9813238719681484 | 0.8258868621386648 | 1.1774063610678553 | 1.0912349379759994 | 0.7478773053018073 | 1.1856538878055776 | 0.9222835208865253 | 0.8044776640230862 | 1.4223036747607103 | 0.9974050631388462 | 0.9495481221219205 | 1.2816053677824761 | 0.6264240435763312 | 1.0190494435922728 | 0.712438539766462 | 0.8617273905397365 | 1.2913865229292107 | 1.1301262450426461 | 1.2475405724581434 | 1.2330192769355048 | 1.2789359280114534 | 1.2765590721720725 | 1.2174287230697105 | 0.629435732830306 | 0.7169557731375252 | 1.2781129332441228 | 1.5214471322022072 | 1.927942144196935 | 0.8532070770644584 | 1.404784577516525 | 0.8599644773340632 | 0.5540748478933673 | 1.1935153330506385 | 1.1457409791271933 | 0.31983934728085844 | 0.9523074755201294 | ||||||
| 150.042 | Guanine [-H(+)] | cpd:C00242 | 1.035162880323478 | 0.9293642949292402 | 0.8433441590615222 | 0.6375344441656707 | 0.9571768402711741 | 0.8621972290523798 | 1.1947109464168315 | 0.9741292002682748 | 0.9257718345575 | 1.0518532141373171 | 0.9781217812359622 | 0.9142714648486442 | 1.0974778462447399 | 0.9811890132696761 | 0.9208992196797471 | 1.0431265782380248 | 0.7963354078581042 | 0.8780601874626566 | 0.8958717645777836 | 0.747420153532364 | 1.021411135713338 | 0.9320264727820728 | 1.0204282973457566 | 1.026321934553421 | 1.0901235072704658 | 1.010638856049701 | 1.0499216828036975 | 0.9120859352963021 | 0.9437978987757588 | 1.0815765585840356 | 1.0086877201290667 | 1.0069360185109266 | 1.0365317477166633 | 0.9418378946633833 | 1.0093681412679771 | 0.9290510120550375 | 1.0193095369035132 | 1.0206225103032929 | 0.8951110888512746 | 1.045676085473032 | ||||||
| 151.051 | L-Asparagine [+F(-)] | cpd:C00152 | 1 | 1 | 1 | 1 | 1.0642502113503556 | 1.0795030349243881 | 0.7665415373486223 | 0.8319312016045417 | 0.8781011821449216 | 1.0135824099242583 | 1.1992857031240187 | 1.0002949032739075 | 0.9498102647561123 | 1.0975178908705419 | 1 | 1 | 1 | 1 | 1 | 1 | 1 | 1 | 1 | 1 | 1 | 1 | 1.094673326308765 | 1.074488981874919 | 0.9012040001882409 | 1.040458148704646 | 0.96666007083688 | 0.9960924421528047 | 0.8560336296771219 | 0.9415238083392441 | 0.9664863374946833 | 0.9600106104935873 | 0.9420049699019042 | 1.1223584516580607 | 0.8305232318615806 | 1.2421043679716146 | ||||||
| 151.087 | L-Ornithine [+F(-)] | cpd:C00077 | 1 | 1 | 1 | 1 | 1.1599565906846867 | 1.0469886046801413 | 0.8427392008674564 | 0.8561734727340965 | 0.9956000923472021 | 0.9015155649202563 | 1.0511108250065508 | 1.0708255215614169 | 0.8681794449667023 | 1.0026235779462924 | 1.0720508398341642 | 1.1188109521876335 | 0.7260231037240129 | 0.7027367496298413 | 0.5921311289661035 | 0.7003154101235759 | 1.1534846892584338 | 1.0414403222677184 | 1.1615182848396737 | 1.132422032088773 | 1.2467711248152036 | 1.1692528763395877 | 1.3694910749219609 | 1.2369757254714875 | 1.0578286789923317 | 1.0993336869110206 | 0.9403146285167033 | 0.8703428679117027 | 0.9026700719940846 | 0.7359272703541694 | 0.9723230341299639 | 1.0198503558151684 | 0.9926498667727809 | 1.1214368505760666 | 0.7315164029878759 | 0.7251192486684223 | ||||||
| 152.036 | L-Aspartate [+F(-)] | cpd:C00049 | 1 | 1 | 1 | 1 | 0.9810006145956566 | 0.9391456043642075 | 0.982916025297238 | 0.898905093271915 | 0.887424483578681 | 1.0669731478502265 | 1.0532118952582608 | 0.9505459435358082 | 1.1022712983519625 | 1.146541866672833 | 1.010427361643311 | 1.0832004965137656 | 0.8073619384168246 | 0.9460148928970697 | 0.7044694351225372 | 1.6775154615608159 | 1.0787967467401811 | 1.015595448755111 | 1.0232359251923704 | 1.1258609624044122 | 1.0504284295001503 | 1.034578341756176 | 1.07713067654832 | 0.7720069963072819 | 0.7660624020965006 | 1.0978025598574372 | 1.2654122070476972 | 1.4410479451752276 | 0.8453043376436562 | 1.1614266635272454 | 0.9285941393038332 | 0.7151360341204117 | 1.0020166999038869 | 1.0713094497177962 | 0.5709857661055717 | 1.2646286171776533 | ||||||
| 154.033 | L-Homocysteine [+F(-)] | cpd:C00155 | 1 | 1 | 1 | 1 | 1.0986536597399035 | 1.1616708978161094 | 0.892398010843532 | 1 | 1 | 1 | 1 | 1 | 1 | 1 | 1 | 1 | 1 | 1 | 1 | 1 | 1 | 1 | 1 | 1 | 1 | 1 | 0.9068732531416337 | 1.1169531588245138 | 0.8494725300483634 | 0.946700855267353 | 1.0201143223355058 | 1.0827050617591103 | 1.0145338941781132 | 1.0524342367902035 | 1.1044185740748405 | 0.8877275532820501 | 1.0791755452084202 | 0.967880677868992 | 0.7540477901879715 | 1.076227200681117 | ||||||
| 154.052 | Adenine [+F(-)] | cpd:C00147 | 1 | 1 | 1 | 1 | 1 | 1 | 1 | 0.9148920258734315 | 0.9916640827066245 | 1.008707638191805 | 0.9920174929255723 | 0.9654657618302367 | 1.0929008440979622 | 1.0682780174629989 | 1 | 1 | 1 | 1 | 1 | 1 | 1 | 1 | 1 | 1 | 1 | 1 | 1.0723133826949416 | 0.6340180380031694 | 0.6702310589189963 | 1.132945407758904 | 1.2534894158927528 | 1.466428788942871 | 0.7084446912982554 | 1.3509250714733003 | 0.7881388561005971 | 0.6057926831813666 | 0.8773910478171605 | 0.9770431206279134 | 0.5156667503629024 | 0.9899795768395323 | ||||||
| 154.058 | L-Histidine [-H(+)] | cpd:C00135 | 3.0325462449505642 | 2.320092845760129 | 2.317329550811826 | 1.6422276060091405 | 0.9794946258435261 | 0.947499556523847 | 1.1419808362133292 | 0.9849887617395314 | 1.1948005253802898 | 0.8862585883917641 | 0.8605426394363941 | 1.0151607877428501 | 0.9677149464088687 | 0.8774857715443481 | 1.030080415976307 | 1.0420913540229204 | 0.9060207409034566 | 0.8496766304827353 | 0.9511848507037948 | 0.9762229927042593 | 1.0066273385055844 | 0.9698107121066727 | 1.0116956369712153 | 1.011822554192928 | 0.9785298468192902 | 0.9840139361643068 | 0.9747047052807243 | 0.9477354160921159 | 0.9914672075141153 | 0.9859328420163566 | 1.0095947772109182 | 0.976227781604383 | 1.1236658665446386 | 0.943672203874681 | 1.1052276987956702 | 1.0115753373712293 | 0.9093601045501656 | 0.9877840877917694 | 1.0314530845052556 | 0.6411091070851265 | ||||||
| 159.977 | Carbamoyl phosphate [+F(-)] | cpd:C00169 | 1 | 1 | 1 | 1 | 1.0064989164641294 | 0.8287918227603953 | 1.3472095748594892 | 1.5984892199843292 | 1.2413906811263418 | 1.8497734167769044 | 0.8023054814011318 | 1.2863732296753816 | 1.8357534406796596 | 0.8253966001886147 | 1.1774426359205323 | 0.8501694345295376 | 0.974014860456385 | 0.8163116858245878 | 0.6242169322459743 | 1.642292784418959 | 1.1903380258489755 | 1.1337859234371623 | 1.0577284078905056 | 1.0178288333803283 | 0.9361266344379576 | 0.942764996736863 | 1.0184283919622905 | 1.0192458417761174 | 0.7155550688305904 | 0.9819611869689786 | 1.0564267239794074 | 1.0125853436529102 | 1.1259149728584508 | 1.0681808962287414 | 1.2149496042933705 | 0.807879404486517 | 1.0885713115567517 | 1.0116144730939627 | 0.9325479100334466 | 1.6271493265719568 | ||||||
| 164.072 | L-Phenylalanine [-H(+)] | cpd:C00079 | 0.8510280716838903 | 0.9859680684091149 | 0.8890083523010939 | 0.8581705675627519 | 1.0084534048140448 | 0.8987790427608982 | 1.0608219725134038 | 0.9853721193606623 | 1.0447614891637242 | 0.9776033767482716 | 0.9306725710814125 | 1.0271684845236844 | 0.9961571005506065 | 0.9487178471819195 | 1.002530246986933 | 1.0531784433889484 | 0.9712710020819786 | 0.9023748791836249 | 0.9264552465224548 | 0.9765889245064252 | 1.0144971639314602 | 0.9631156876930749 | 0.9981840553965617 | 1.0307129042663912 | 1.0084614228871598 | 1.0297396681383224 | 1.11177699500903 | 0.9950487934114238 | 1.0876252348782844 | 1.016747942991439 | 1.0176876537297488 | 1.0212430125056493 | 1.0470124535060272 | 0.9737496817945853 | 1.024234298637613 | 1.0529562541422517 | 0.9790062161107113 | 0.9705051616128673 | 1.0090795979730451 | 0.8691514411602721 | ||||||
| 165.067 | L-Glutamine [+F(-)] | cpd:C00064 | 1 | 1 | 1 | 1 | 1.0887272681490516 | 1.0375304723489427 | 0.862678025162392 | 1 | 1 | 1 | 1 | 1 | 1 | 1 | 1 | 1 | 1 | 1 | 1 | 1 | 1 | 1 | 1 | 1 | 1 | 1 | 1.0231823805618159 | 1.076808465086237 | 0.8751674837614429 | 1.0212837369911132 | 1.0052925514369437 | 1.0048433496314524 | 0.8756469875629546 | 1.1124399986187188 | 0.9944257946859764 | 0.8612683107258877 | 1.2683349366125563 | 1.0993483060265252 | 0.7948137961880021 | 1.1583105169122867 | ||||||
| 165.104 | L-Lysine [+F(-)] | cpd:C00047 | 1 | 1 | 1 | 1 | 1.1431193949021916 | 1.0365907532162675 | 0.8559130790777907 | 0.8321408181981964 | 0.9783563506853554 | 0.9070303268163115 | 1.0263947609589013 | 1.0771070581703206 | 0.8841537068913101 | 0.9526364564720496 | 1.040405426777277 | 1.1346008262022589 | 0.7214952825395483 | 0.7779052995117209 | 0.5955250387582687 | 0.7386709450932243 | 1.089594536627102 | 0.9927980728325377 | 1.1153234055698662 | 1.0836475546774031 | 1.2419791947011007 | 1.0348034889726816 | 1.4609423102249142 | 1.2578526091678974 | 1.0413695407663601 | 1.1331637409820183 | 0.9388746418069515 | 0.9124897386325175 | 0.9814644930829205 | 0.6789481754517673 | 0.9690632359355799 | 1.0380193603921977 | 0.9810979227060487 | 1.1212400433911032 | 0.6802763701038709 | 0.6240425393448095 | ||||||
| 166.052 | Pyridoxal [-H(+)] | cpd:C00250 | 0.6289902910529792 | 0.7344959277743918 | 0.7053299646023267 | 0.6634994877476981 | 1.0085923530829435 | 0.9997092957725509 | 0.8541559327049798 | 0.9573462697206554 | 0.9166373386117602 | 1.1170121245850932 | 1.064424982026967 | 0.9985312443434746 | 1.1929924424538474 | 1.147188820922844 | 3.509713710309428 | 1.2561913571984582 | 0.8780470855206953 | 0.9595841191820526 | 0.8328235490995218 | 1.0105021681592163 | 1.084000482980184 | 1.1361414852214706 | 1.0271957899041373 | 1.0690321593180865 | 1.0206617602965027 | 1.038599698431493 | 1.0811342046491907 | 0.7764858392356813 | 0.7873188174773734 | 1.0990790928052903 | 1.1960718686889682 | 1.292627913592638 | 0.7979450087765764 | 1.10479079543946 | 0.9269243718346238 | 0.724241618110935 | 1.0138818076682221 | 1.060059235490654 | 0.5137421645117343 | 1.0884721113287 | ||||||
| 168.054 | L-Methionine [+F(-)] | cpd:C00073 | 1 | 1 | 1 | 1 | 1 | 1 | 1 | 0.8879503004999395 | 0.893312187408685 | 0.955155317845689 | 1.023314696502694 | 0.9692135237900094 | 0.9790942249806099 | 1.1106030901363813 | 1 | 1 | 1 | 1 | 1 | 1 | 1 | 1 | 1 | 1 | 1 | 1 | 1 | 1 | 1 | 1 | 1 | 1 | 1 | 1 | 1 | 1 | 1 | 1 | 1 | 1 | ||||||
| 168.991 | Glycerone phosphate [-H(+)] | cpd:C00111 | 0.9115126698943108 | 0.6054410559670669 | 0.8351267586067098 | 0.9482260852434536 | 0.9679744676032576 | 1.2056183202879653 | 0.8900946927761848 | 1 | 1 | 1 | 1 | 1 | 1 | 1 | 1 | 1 | 1 | 1 | 1 | 1 | 1 | 1 | 1 | 1 | 1 | 1 | 1 | 1 | 1 | 1 | 1 | 1 | 1 | 1 | 1 | 1 | 1 | 1 | 1 | 1 | ||||||
| 169.05 | D-Ribose [+F(-)] | cpd:C00121 | 1 | 1 | 1 | 1 | 1 | 1 | 1 | 1 | 1 | 1 | 1 | 1 | 1 | 1 | 1 | 1 | 1 | 1 | 1 | 1 | 1 | 1 | 1 | 1 | 1 | 1 | 1.0457079480159412 | 1.2279344484577457 | 0.7850216869345742 | 0.9651047470224581 | 1.001227905407812 | 1.0387483333370204 | 0.8143748942481779 | 0.9587509577881392 | 1.0040162599426417 | 0.8816187833478165 | 0.8940552345111177 | 1.1310907673284645 | 0.7378192204161151 | 1.6673687437292755 | ||||||
| 170.045 | Guanine [+F(-)] | cpd:C00242 | 1 | 1 | 1 | 1 | 1.0180992338297354 | 0.957137059184112 | 1.027703038115175 | 1.0131918845665657 | 0.9505683096463252 | 1.0362873600124352 | 1.0378337993637254 | 0.9995103952268874 | 1.043526795743853 | 1.042784085210679 | 0.9562588779013095 | 0.982659748272927 | 0.8597767581397043 | 1.3425444838400462 | 1.1682330158986804 | 1.2814942023443603 | 0.8219453264753004 | 1.0119229005184744 | 1.0201852899338846 | 1.0694290690636363 | 0.932609316832297 | 1.0002245043142446 | 1.0561167660775186 | 0.8980246880502084 | 0.9643369687577488 | 1.0426366699404772 | 1.1005653020368613 | 1.0979789928041956 | 0.9200827045192261 | 1.0802923303450704 | 1.0403461179086295 | 0.9126042166663464 | 0.9416559596954158 | 1.0002279782470869 | 0.7418083991749017 | 1.18739056369683 | ||||||
| 171.007 | sn-Glycerol 3-phosphate [-H(+)] | cpd:C00093 | 1.1577008718791582 | 0.8112719807115163 | 0.5965780401477133 | 0.4314806231711629 | 1.3913648899458115 | 0.6779715571916775 | 1.041569260220708 | 0.886243912569609 | 1.013948833150919 | 1.0865234949377978 | 4.578122808207729 | 1.0197767692607709 | 1.1507437878346354 | 1.0226318560909584 | 0.9450745426330373 | 1.0804917180436453 | 0.6250413136563447 | 1.410036686684067 | 3.7297475585519604 | 0.799665125148123 | 1.161904232887532 | 0.9012410062962709 | 0.7968301276237901 | 0.9943617411229212 | 1.058957672830818 | 0.93664966957002 | 1.5457866288182804 | 1.7783102612841795 | 0.7873895067580292 | 0.7367352377743628 | 0.9583298259558082 | 1.1128852600100645 | 0.5794197151417757 | 1.0007576534659228 | 1.1275628972446838 | 4.097795944126474 | 0.9222694645715056 | 1.1570244922813575 | 0.9936973575780114 | 0.6485513707630837 | ||||||
| 173.105 | L-Arginine [-H(+)] | cpd:C00062 | 2.7988949611127345 | 3.070712739879352 | 3.0977450013683065 | 2.1417297164145195 | 1.0064530982252105 | 0.9410257577321165 | 0.959271930526789 | 0.9749673243279054 | 1.1758539318293348 | 1.0473644622138225 | 0.8869372028178841 | 1.083708496440479 | 0.8676206102309963 | 0.9813737188771344 | 1.085309750167091 | 1.0810406542773954 | 0.9625996749078161 | 0.8436724882468083 | 0.8466894779442865 | 0.9758037880154311 | 1.138456011949446 | 1.0983283154376702 | 0.9734411147998056 | 1.027019823835776 | 1.0210466757555803 | 0.9757156844882274 | 1.4291883835566295 | 1.1379315742527178 | 1.0734125512029846 | 1.1966019761687405 | 0.9171527261322777 | 1.0046663872503243 | 1.094198251876018 | 0.8173656601280576 | 1.0573975376231206 | 1.114992016671828 | 0.8865029897898503 | 1.004824200670758 | 0.8428141766070399 | 0.46421507636489173 | ||||||
| 174.067 | L-Histidine [+F(-)] | cpd:C00135 | 1 | 1 | 1 | 1 | 1.1073184520552595 | 1.096240811717918 | 0.8264158269765579 | 1 | 1 | 1 | 1 | 1 | 1 | 1 | 1 | 1 | 1 | 1 | 1 | 1 | 1 | 1 | 1 | 1 | 1 | 1 | 1.0944564394606706 | 1.1260283681555503 | 0.9038792599489364 | 1.0354603909952742 | 1.0007074291037301 | 0.94224987094447 | 0.9064624173868782 | 0.9043707077029038 | 0.9729012703364578 | 0.9739157615558228 | 0.9490465086993556 | 1.17801955605837 | 0.9089371886489153 | 1.183641188717009 | ||||||
| 174.089 | L-Citrulline [-H(+)] | cpd:C00327 | 0.8294207108502495 | 1.0540822879117857 | 1.3018098095031552 | 1.2650185957978548 | 1 | 1 | 1 | 1 | 1 | 1 | 1 | 1 | 1 | 1 | 1 | 1 | 1 | 1 | 1 | 1 | 1 | 1 | 1 | 1 | 1 | 1 | 1.0492376844532607 | 1.0081181488270505 | 0.9501475299359385 | 1.0205378192605223 | 0.9837574558570095 | 0.899506777746576 | 1.0036503184248835 | 0.9300791007487319 | 1.1306692429761 | 1.0029446697410747 | 0.9854029676879386 | 1.0075929894977353 | 0.8743970372132905 | 0.9423624091788272 | ||||||
| 175.026 | Ascorbate [-H(+)] | cpd:C00072 | 1 | 1 | 1 | 1 | 1.0687217003580503 | 0.9046212775451902 | 1.0066484471745667 | 0.937106465496562 | 0.9482158659577338 | 1.0639651064707363 | 1.228918747367265 | 1.044654554265348 | 0.9761912269660715 | 1.334402843396946 | 0.9665579130123197 | 1.2398659110805854 | 0.653248227224609 | 0.9420398818454904 | 0.600257528967457 | 2.7013293916182857 | 1.2827036959985807 | 1.17805566771832 | 0.9479807369083272 | 1.0789541357900403 | 1.1308806576653985 | 0.9051690615368089 | 0.792059023586016 | 1.3821220840748714 | 0.7007070007986461 | 0.9276708769840571 | 1.2794847605277946 | 1.2034256205975553 | 1.1732398653438159 | 1.1656222633761575 | 1.5035867487897179 | 0.777746305542773 | 1.7036677508656386 | 1.1910283786475 | 0.8247989229500137 | 1.5145986139315388 | ||||||
| 176.936 | Diphosphate [-H(+)] | cpd:C00013 | 0.22214009818922828 | 0.28281094617598 | 0.3399227597790422 | 0.4849804323093602 | 1 | 1 | 1 | 1 | 1 | 1 | 1 | 1 | 1 | 1 | 1 | 1 | 1 | 1 | 1 | 1 | 1 | 1 | 1 | 1 | 1 | 1 | 1 | 1 | 1 | 1 | 1 | 1 | 1 | 1 | 1 | 1 | 1 | 1 | 1 | 1 | ||||||
| 179.056 | D-Glucose [-H(+)] | cpd:C00031 | 1.6482515905428525 | 1.7462137196873047 | 1.523200838112009 | 1.0942343049391232 | 1.0034682450068266 | 0.8223948643134601 | 1.217495815772398 | 1.1082037879296296 | 0.9694516480734552 | 0.9711078092699517 | 0.9706501685819292 | 0.9960789246355799 | 1.1544854962928202 | 0.973789061846656 | 1.1155786923080515 | 1.0584280698171566 | 0.6049708486128278 | 0.7498680580131396 | 0.7541427353704666 | 0.9603600612763917 | 1.1756549143581827 | 1.031806127741038 | 1.0183978808358811 | 1.0508540941955486 | 1.080107590273652 | 1.0003448508968409 | 1.0636563034639035 | 1.3231022490700701 | 0.8491388212074646 | 0.9647162494241467 | 1.1474209009252734 | 1.289671073063837 | 1.0668316035198424 | 0.9709602048324681 | 1.2946981291592599 | 0.8484342250107664 | 1.112838801565094 | 1.2196411558368223 | 0.40772802849629325 | 0.7707426554042414 | ||||||
| 180.067 | L-Tyrosine [-H(+)] | cpd:C00082 | 0.761128070678205 | 0.8611800455779444 | 0.88221885562522 | 0.8249830068077036 | 0.9972711299414121 | 0.9212999039273014 | 1.0173616229555078 | 1.0071708780821422 | 1.0248824319954646 | 0.99764799450864 | 0.9887331214245731 | 0.952433972015827 | 1.096404856214308 | 0.8749745040833236 | 0.9928648308055289 | 1.0469310516266976 | 0.9821251469393758 | 0.8577900407912202 | 0.8716360630913089 | 0.9400415125801429 | 1.0474749327559845 | 0.9992320174816823 | 0.9833061418069232 | 1.023185514485555 | 1.0523836362844017 | 0.9863613641241188 | 1.1419201015860514 | 0.9943554346061655 | 1.1075322995445724 | 1.0381217350450527 | 1.0004676609696244 | 1.0591505719692242 | 1.0130513319280234 | 0.9396237686001947 | 0.986464039480463 | 1.0533711264458396 | 0.8827495821882182 | 0.9564753678860156 | 0.9393481991404378 | 0.8763736010935772 | ||||||
| 181.07 | Mannitol [-H(+)] | cpd:C00392 | 0.7504234141123736 | 0.852544685240531 | 0.8584254306861038 | 0.7889217472143963 | 1.0496239236387968 | 0.9697918322376032 | 1.0116838773166703 | 0.9385765287163963 | 1.0029609040948413 | 1.0250913045194585 | 1.0251428263334794 | 0.9544785276171832 | 1.0379677837535217 | 0.9483566618115548 | 0.963121212421835 | 0.9524410956381848 | 0.900947763736847 | 0.7711316434754818 | 0.8983993181266218 | 0.9961901902113891 | 1.0314294199242362 | 0.9848908588550077 | 0.9284875327013291 | 0.9356502883485855 | 0.9584796203805327 | 0.9347820920419169 | 1.1384229009046458 | 0.9894724835988133 | 0.9671477063445223 | 1.0361304468096477 | 0.9936416506515633 | 1.0531082671482366 | 1.0150423827735129 | 0.9342184445764649 | 1.0152747918877796 | 0.9713865791791997 | 0.9283680484965312 | 1.0054098783799652 | 0.9061023139661162 | 1.1871419681335234 | ||||||
| 183.067 | Choline phosphate [-H(+)] | cpd:C00588 | 0.6875330411501477 | 0.9409564895355681 | 0.9197577435786246 | 0.8723366505055704 | 1 | 1 | 1 | 1 | 1 | 1 | 1 | 1 | 1 | 1 | 1 | 1 | 1 | 1 | 1 | 1 | 1 | 1 | 1 | 1 | 1 | 1 | 1.0970740794326612 | 1.2269465665227066 | 0.8287887646724068 | 0.9401393115298247 | 1.0160392194270385 | 1.0241782671209845 | 0.8291618196823985 | 0.9494310699590454 | 0.983878081482382 | 0.8657867560833261 | 0.9290885382861611 | 1.2036070131697445 | 0.7670938905264252 | 1.624816424318361 | ||||||
| 184.073 | L-Phenylalanine [+F(-)] | cpd:C00079 | 1 | 1 | 1 | 1 | 1.1292993192840637 | 1.0991469185736291 | 0.7673832963111984 | 0.8112442645425773 | 1.0603179004607546 | 0.8902522111727119 | 1.0011323660068745 | 1.0871646997684856 | 0.9289100929595425 | 0.9577177478855772 | 1.1136789759808474 | 1.1322390670373428 | 0.821157501101616 | 0.8628024519947617 | 0.7562520491720289 | 0.9652462881798757 | 1.0470924562206432 | 0.9472896360871346 | 1.010646953316408 | 1.1176721617664147 | 1.1344955640511327 | 1.1040598153907286 | 1.2401570678393816 | 1.156293249500839 | 1.0555158994742755 | 1.1036724851530946 | 0.942500298435165 | 0.9073267228354328 | 0.95534293050279 | 0.8115711136076831 | 0.9957489994161259 | 1.0173951866632989 | 1.041159781563338 | 1.087800398403123 | 0.8148650100546488 | 0.7573634100934543 | ||||||
| 184.988 | 3-Phospho-D-glycerate [-H(+)] | cpd:C00197 | 1.2137015724110547 | 1.3157157030400823 | 1.364608735294776 | 0.7884686778887606 | 1.1829380041862996 | 1.0281107827232643 | 0.7540419259544828 | 0.8966102234749872 | 0.8966001924823069 | 1.0986927100916914 | 0.745698002835633 | 0.8132678081780156 | 1.0132480667151216 | 0.9998015917711297 | 2.3162019626350667 | 1.2346796545501524 | 1.3351563374242958 | 0.8215601374995507 | 0.7092089502714126 | 0.8209695045845177 | 1.2614706072466724 | 1.7922774601059517 | 1.2204889805365564 | 1.0988504090521691 | 1.0921252910736459 | 0.8931992803974593 | 0.9379141803785185 | 0.9826729670236369 | 0.8595235773417396 | 0.9389919186727164 | 1.1139580095016959 | 1.1998252222432166 | 0.9663003172589814 | 0.9794563604289624 | 1.1499665445947018 | 0.8761627080882417 | 0.8614130076392256 | 1.1344268902194443 | 0.5934834890347743 | 1.761347686531933 | ||||||
| 186.058 | Pyridoxal [+F(-)] | cpd:C00250 | 1 | 1 | 1 | 1 | 1.0776923945813928 | 1.0478798633349629 | 0.883521888673035 | 0.8493748028841854 | 0.9644704711245584 | 1.0163091271391587 | 1.0802725615188753 | 0.9770246683435657 | 1.0399745997622916 | 1.0359564743109808 | 1.1165912054738074 | 1.08861287348576 | 0.8386838038418156 | 0.9029285284046893 | 0.8467402527326029 | 1.0142951808507488 | 1.1528459597365395 | 1.0490031023612232 | 1.0437453227013866 | 1.091429651041408 | 1.0911684325843598 | 1.0510520787155373 | 1.1709846429250408 | 1.051124041374066 | 0.9478598902592865 | 1.0871719305779022 | 1.035718885427919 | 1.0069449264862427 | 0.9655511052482406 | 0.9277633959982844 | 1.0170531450956621 | 0.920017870462043 | 1.0104524198674283 | 1.1117162827080467 | 0.7949322139310209 | 1.1254902017312414 | ||||||
| 193.108 | L-Arginine [+F(-)] | cpd:C00062 | 1 | 1 | 1 | 1 | 1.033631272083157 | 1.0635301106486095 | 0.8405255366073703 | 0.8943160544194493 | 0.9107645429530417 | 1.0138002183124375 | 1.0620645863823839 | 0.9918472767302309 | 0.9864998194021153 | 1.042613753638665 | 1 | 1 | 1 | 1 | 1 | 1 | 1 | 1 | 1 | 1 | 1 | 1 | 0.7877124619235742 | 1.770336467435407 | 0.8669421550643907 | 0.9748996039410783 | 0.9828464316820348 | 1.086602207100403 | 0.959876402363652 | 1.387043273388328 | 1.2164116337467852 | 0.7598066231990158 | 2.552623982861338 | 1.4482191223543395 | 0.7597339673369731 | 1.713647311389585 | ||||||
| 194.094 | L-Citrulline [+F(-)] | cpd:C00327 | 1 | 1 | 1 | 1 | 1.1244324662253427 | 1.1066307394091321 | 0.7738380681033327 | 0.7878609596805493 | 0.9513267306059399 | 0.9316668915195339 | 1.0673974969592925 | 1.0196833699379955 | 0.9362980332229943 | 0.9508087828416858 | 1.1386995375848796 | 1.139499895479076 | 0.8239255597747014 | 0.8104057230672821 | 0.7763061501085726 | 0.7686457394025324 | 0.969141595592309 | 0.9590222755519469 | 1.109858772827839 | 1.1398728274767511 | 1.176605132904001 | 1.144634696164054 | 1.286918631188001 | 1.1939815322965666 | 1.0183730381589302 | 1.12112797948312 | 0.9378522569597997 | 0.9521200313081155 | 0.9110517585629815 | 0.8335829947172918 | 0.9826378704068235 | 1.0391696619923887 | 0.9875180650450015 | 1.1063209383218362 | 0.7958100536899132 | 0.8391048063742954 | ||||||
| 195.029 | Ascorbate [+F(-)] | cpd:C00072 | 1 | 1 | 1 | 1 | 1.0457670893044344 | 0.9812987515639926 | 1.0019541987551543 | 0.928104592419644 | 0.9215266832280374 | 1.0463856869690158 | 1.0579910587952803 | 0.9614433311669693 | 1.0408422068099625 | 1.0928264925881757 | 1.0602609284373499 | 0.9474041884927291 | 0.702575799675722 | 0.8035056177587319 | 0.638867760035492 | 1.0538995279256245 | 1.1889428781693867 | 1.215171972851187 | 1.076110434552962 | 1.0977385976481229 | 1.0609377064097456 | 0.9753951711753468 | 0.9196656535977443 | 1.114079894890225 | 0.8569707098738644 | 0.9081480029560279 | 1.1833955364011626 | 1.3153860812942344 | 0.9573389411795402 | 1.0432167349871546 | 1.124674302574411 | 0.8497942799520397 | 1.2635204927103139 | 1.1530415759701826 | 0.5115706049190336 | 1.4727291021545907 | ||||||
| 199.002 | D-Erythrose 4-phosphate [-H(+)] | cpd:C00279 | 0.423703574036483 | 0.6060494590130489 | 0.7212807627424324 | 1.2790368310698486 | 0.9643554961005586 | 0.8797507181212993 | 1.0451116751124696 | 1 | 1 | 1 | 1 | 1 | 1 | 1 | 1 | 1 | 1 | 1 | 1 | 1 | 1 | 1 | 1 | 1 | 1 | 1 | 1 | 1 | 1 | 1 | 1 | 1 | 1 | 1 | 1 | 1 | 1 | 1 | 1 | 1 | ||||||
| 199.062 | D-Glucose [+F(-)] | cpd:C00031 | 1 | 1 | 1 | 1 | 0.9925308132726557 | 1.2804033311567489 | 0.4960919954456622 | 0.7450325228513288 | 0.7845982562622017 | 0.9611542673733977 | 1.2187004150996092 | 0.9461363285341851 | 0.979036781661783 | 1.221174056210096 | 1 | 1 | 1 | 1 | 1 | 1 | 1 | 1 | 1 | 1 | 1 | 1 | 1.1102163026398062 | 1.4121254022714862 | 0.7654232882670591 | 0.9248022779314488 | 0.9589051915852002 | 1.051975041664487 | 0.6231743025695672 | 0.8877779260323686 | 0.8285016428432597 | 0.9342784519483056 | 0.7106777303370553 | 1.2168543260810796 | 0.6669699790333986 | 1.9466484387759608 | ||||||
| 200.074 | L-Tyrosine [+F(-)] | cpd:C00082 | 1 | 1 | 1 | 1 | 1.0839433315287634 | 1.027425959483021 | 0.8983775444614998 | 0.9327303981186005 | 0.9766997227667653 | 0.9527771684393763 | 1.0942844846720932 | 1.0541780419152458 | 1.036894513343835 | 1.0101583406754753 | 1.0465285118923573 | 1.1301066163677287 | 0.8074369343871816 | 0.994063723727482 | 0.8107443195542049 | 1.1897181571389592 | 1.0786060910258777 | 1.0194056335439314 | 0.9528126036935609 | 1.0346200774119114 | 1.060572291428266 | 1.0566925062920942 | 1.1384296771188445 | 1.147915124396242 | 0.9860595207042815 | 1.0141753606413704 | 0.9496332166380486 | 1.0358833793541617 | 0.9213552832369444 | 0.8684330418507006 | 0.9841119243461878 | 0.9158108733991343 | 1.2182953449953091 | 1.1081461339598093 | 0.7417437021115453 | 1.082803328680857 | ||||||
| 201.078 | Mannitol [+F(-)] | cpd:C00392 | 1 | 1 | 1 | 1 | 1.1607289235938438 | 1.0449857269612208 | 0.8596730188667057 | 1 | 1 | 1 | 1 | 1 | 1 | 1 | 1.1334112630885511 | 1.0762842462966642 | 0.8282070296654366 | 0.8528970371828586 | 0.6570744514259 | 0.9213367529270917 | 1.172503850284267 | 1.151363900626352 | 1.0320271617722474 | 1.1123655003394977 | 1.2560635095328765 | 1.1215112920908195 | 1.1856694242313504 | 1.2704990367120648 | 0.9419605422730741 | 1.0543624805700487 | 1.012353825945749 | 0.9761571348017949 | 0.9302351126373064 | 0.8496104827050637 | 1.027974104637351 | 0.8846176148645102 | 1.1521435052503066 | 1.1181523205208688 | 0.7806667007786784 | 1.0177061099691116 | ||||||
| 203.068 | Choline phosphate [+F(-)] | cpd:C00588 | 1 | 1 | 1 | 1 | 1.0498714161164842 | 0.9069874310060034 | 1.0774426444566434 | 0.8418426930078616 | 1.0995275265407503 | 0.8563808638999506 | 1.0203430938136935 | 1.059676451922082 | 0.9142952757638105 | 1.0536689740104357 | 1 | 1 | 1 | 1 | 1 | 1 | 1 | 1 | 1 | 1 | 1 | 1 | 0.8876210533194963 | 1.1693723919619603 | 0.9463435959850764 | 0.9474715036742706 | 0.8945094612915322 | 0.7874126618409563 | 1.120176101742393 | 0.972625676922513 | 1.173742627634424 | 1.0602141941798215 | 1.0659681632628648 | 0.9585359731412582 | 1.2425305975085261 | 0.5472553466732909 | ||||||
| 203.082 | L-Tryptophan [-H(+)] | cpd:C00078 | 0.5789895008553659 | 0.7703964909570844 | 0.7883220203876516 | 0.6588086051190148 | 1.0466623314087677 | 0.8824295767867905 | 1.048163692691677 | 0.9727447597458972 | 1.0624837219610876 | 0.9732159166019269 | 0.9716937796407771 | 0.9937295569652083 | 1.11596459903795 | 0.8858300753299597 | 0.9490521414795519 | 0.9500101973496811 | 0.9713005828759766 | 0.7639684437715096 | 0.895743095166626 | 0.9803660301277068 | 1.0195762208086654 | 0.9898583984954984 | 0.9394970567894814 | 0.9579014750599886 | 0.9986577750392729 | 0.9293575792587785 | 1.1763003184022023 | 1.0364762502239282 | 1.117979200140896 | 1.055005133458972 | 0.9677958849452836 | 1.0024887426462885 | 1.011390032903861 | 0.904370447880068 | 0.9817383693860047 | 1.060508660418618 | 0.9659981447726816 | 0.9851392496325626 | 0.990526191000839 | 0.9121604012516897 | ||||||
| 204.053 | Lipoamide [-H(+)] | cpd:C00248 | 0.735219379678971 | 0.8627234469934142 | 0.8239808218558895 | 0.9413112106165414 | 1.0524923440246579 | 1.0191338216056482 | 0.9388519312155948 | 0.9323243327242476 | 0.9320003725485927 | 1.007044925564353 | 1.0498275779961286 | 0.9761834120151488 | 1.0646946049860788 | 1.040289917739089 | 1.1245026376160197 | 1.0114330299846193 | 0.8464357552093936 | 0.9509729950139318 | 0.7271192787265754 | 1.1854110350986693 | 1.150700076229668 | 1.021347940681255 | 1.0222698727234634 | 1.0334476763824452 | 1.1685957578506583 | 1.037970165074795 | 0.917096961305824 | 1.2234349259106732 | 0.8470830099385204 | 0.9659513089851294 | 1.0127229857036084 | 1.0556375656607713 | 1.009242820506952 | 1.0383273093453385 | 1.006259868544217 | 0.8269699707480108 | 1.1610316204654814 | 1.092622566700181 | 0.9196916349377706 | 0.9828121497992323 | ||||||
| 206.068 | Dihydrolipoamide [-H(+)] | cpd:C00579 | 1.022817655632232 | 1.2299242800116112 | 1.3583920114089576 | 1.2970385675587792 | 1 | 1 | 1 | 1 | 1 | 1 | 1 | 1 | 1 | 1 | 1 | 1 | 1 | 1 | 1 | 1 | 1 | 1 | 1 | 1 | 1 | 1 | 1.0158947682096193 | 1.18596484563342 | 0.9781187286193495 | 1.0586132948672005 | 0.9980174988666115 | 1.033539495287098 | 1.0034586424638292 | 0.9937802120326754 | 1.1095282813188871 | 0.9506721260714066 | 1.2130959947958189 | 1.0735244981663452 | 0.8736770916733544 | 0.8978205235954168 | ||||||
| 213.015 | 2-Deoxy-D-ribose 1-phosphate [-H(+)] | cpd:C00672 | 1.4791671822908439 | 1.4900248195401338 | 1.570598707565294 | 1.33565146023799 | 1.0518495284089167 | 1.236406331181751 | 0.833893050817692 | 1.056075787200585 | 0.9834536662950807 | 1.0859564544854696 | 1.4951620046712912 | 0.990293033839864 | 1.0039823473251834 | 0.9660685105628228 | 0.8832555551619395 | 1.0702110540316265 | 1.3448279713102567 | 1.0795571409257987 | 1.2160756220102444 | 1.0551057267051076 | 1.132926086903326 | 1.0102981472011003 | 0.9360349987380938 | 1.1424074457726678 | 1.0902262453931408 | 0.9505375445699772 | 0.7740646838011777 | 1.334757260681966 | 0.9461596917570145 | 0.9263573816634475 | 0.993458341836784 | 1.032477258599081 | 1.0634701899659116 | 1.021535289738742 | 1.1024097691456545 | 1.1735366996662593 | 0.9987181094102343 | 1.0179094672544609 | 0.8463926102368292 | 1.1934612217475153 | ||||||
| 223.086 | L-Tryptophan [+F(-)] | cpd:C00078 | 1 | 1 | 1 | 1 | 1.1444579624008309 | 1.050516905734592 | 0.901835696975293 | 0.8461178916867774 | 1.0534739290719808 | 1.0306183131803406 | 0.9796835697558621 | 1.046708491536936 | 0.9728798949194821 | 0.932025183063026 | 1.1483119501518253 | 1.1296969359607834 | 0.9380795998344974 | 1.1086534439820146 | 0.7216288014905144 | 4.078202276574783 | 1.0564929745008202 | 1.0134486807040761 | 0.9949510402617828 | 1.1010079331137645 | 1.1958382885399284 | 1.0177333265971504 | 1 | 1 | 1 | 1 | 1 | 1 | 1 | 1 | 1 | 1 | 1 | 1 | 1 | 1 | ||||||
| 224.057 | Lipoamide [+F(-)] | cpd:C00248 | 1 | 1 | 1 | 1 | 1 | 1 | 1 | 0.8923199867835214 | 0.9107339767305919 | 1.0302667529500966 | 1.0113565616198308 | 1.0070125831812675 | 1.1178408128347923 | 1.0922512203749415 | 1 | 1 | 1 | 1 | 1 | 1 | 1 | 1 | 1 | 1 | 1 | 1 | 1.0725115746800686 | 0.8970281188125363 | 0.7220303917333954 | 1.0265514279533268 | 1.1448588628262841 | 1.3099069685849563 | 0.6928094676589658 | 1.148888418817798 | 0.867990644313147 | 0.7218501370056157 | 0.6935636115131153 | 1.013295567067446 | 0.6702549540736372 | 1.5585034759150247 | ||||||
| 226.071 | Dihydrolipoamide [+F(-)] | cpd:C00579 | 1 | 1 | 1 | 1 | 0.9880616088901896 | 1.0838752140627859 | 0.8635030137751825 | 0.8654123393585171 | 0.9344510690204291 | 1.035347480422831 | 1.0162856219808956 | 0.9601669785251659 | 1.09766855429742 | 1.007171965046109 | 2.334766572571764 | 1.034092256013049 | 0.9819998051872822 | 1.0529334481124892 | 0.8391968816023773 | 4.935762043110276 | 0.9647954345186722 | 1.1154233267036904 | 0.9876252725031186 | 1.032312483770098 | 0.9074507968691704 | 0.9608152689972271 | 1.116353633901677 | 1.0178205920414714 | 0.8762714949047832 | 1.0266526006872565 | 1.069419863187483 | 1.1342120153444986 | 0.8693224287806636 | 1.0035758239586852 | 0.9501742580505845 | 0.8154751071033197 | 1.0101186969512783 | 1.0667269005104008 | 0.7493338891616809 | 1.2797714992428528 | ||||||
| 226.084 | Deoxycytidine [-H(+)] | cpd:C00881 | 1 | 1 | 1 | 1 | 1 | 1 | 1 | 0.85441118462405 | 1.0563684250330727 | 0.9890897162253108 | 0.9992393985453837 | 1.0085578968575086 | 1.0323471646347344 | 1.000787705388512 | 1 | 1 | 1 | 1 | 1 | 1 | 1 | 1 | 1 | 1 | 1 | 1 | 1 | 1 | 1 | 1 | 1 | 1 | 1 | 1 | 1 | 1 | 1 | 1 | 1 | 1 | ||||||
| 227.067 | Deoxyuridine [-H(+)] | cpd:C00526 | 0.8002651673635081 | 1.0286859227478216 | 0.9680953373634235 | 0.7896248072493033 | 1 | 1 | 1 | 0.8859681891608159 | 0.9594438091135449 | 0.9700099606985417 | 1.1135079075300238 | 1.008169914329687 | 1.0140931637286 | 1.0360154201158176 | 1.1809475938794163 | 1.046201118373739 | 0.791556555719774 | 0.9590559839086396 | 0.841089366518123 | 3.045797246231538 | 0.9965591104621101 | 1.1064736362325098 | 0.9652083153943055 | 0.9576798450083964 | 1.0366385860257343 | 1.00141198978503 | 1 | 1 | 1 | 1 | 1 | 1 | 1 | 1 | 1 | 1 | 1 | 1 | 1 | 1 | ||||||
| 229.012 | D-Ribose 5-phosphate [-H(+)] | cpd:C00117 | 1.0200293646156822 | 0.7652754488865509 | 0.6051231679001766 | 0.33476945985738477 | 1.1229007613838908 | 0.8742929298359959 | 1.200376800640618 | 0.8761436327929327 | 0.8504507957038492 | 0.940006189866684 | 1.763258382177852 | 0.8235659403101034 | 1.055705320374532 | 0.8338198087582499 | 1.0257836285942645 | 1.3580264733085377 | 0.5717900039269007 | 1.113658730023839 | 1.6242479989529814 | 1.589885837297486 | 1.1700071935448146 | 1.043207067003099 | 0.7633434858647901 | 0.7916391174661435 | 1.1843783331554347 | 0.8523874807885053 | 0.9693736536720218 | 1.1399194411211975 | 0.7998240066950824 | 0.9186870003295585 | 1.003808595836493 | 1.0550689909680955 | 1.086269741194678 | 0.8302301423908064 | 0.9544348959019766 | 1.1440044437498418 | 1.1143453063221904 | 1.0795204888843664 | 1.0498922868398042 | 0.8515552618734895 | ||||||
| 241.086 | Thymidine [-H(+)] | cpd:C00214 | 1 | 1 | 1 | 1 | 1 | 1 | 1 | 0.935790779321627 | 1.0324068963530633 | 0.9284068403413447 | 0.9335114280339868 | 1.0440771910124584 | 1.0504494901277868 | 0.930174562716176 | 1.169463364737343 | 1.3155949988849878 | 0.7322455142659515 | 0.8954522521173465 | 0.8227572455302014 | 0.48463160341696376 | 1.0950018640312702 | 0.9405296456310231 | 1.071676659832907 | 1.1068361037680796 | 1.2696648954696055 | 1.2292632756569126 | 1 | 1 | 1 | 1 | 1 | 1 | 1 | 1 | 1 | 1 | 1 | 1 | 1 | 1 | ||||||
| 242.079 | Cytidine [-H(+)] | cpd:C00475 | 0.8343343478162147 | 0.8163676927805993 | 0.8075013750083392 | 0.7619465895420291 | 0.9857730839046013 | 1.0040374274052875 | 0.9712295983755953 | 0.9798400972639404 | 0.9841495886566937 | 0.9852048521587496 | 0.9540198348320732 | 0.9680701416844166 | 1.098873207677738 | 0.9556319250608917 | 0.994877787774228 | 1.1003917526753326 | 0.6011972752337422 | 0.8403011570826143 | 0.7363864854400807 | 0.9602851355575949 | 1.0732835518533494 | 0.8260218622318636 | 0.9993790635317519 | 1.0507573387611346 | 1.150137682356273 | 1.0962136496414476 | 0.9907124860970262 | 0.787314046197516 | 1.0164368834435322 | 1.1379506891468711 | 1.1007331446925228 | 1.1912582589101348 | 1.0177489430137343 | 1.011222471135835 | 0.9706880113992786 | 0.8793160608109221 | 0.8766665127754503 | 0.8920285735902354 | 0.8533087320649351 | 0.7373483834554944 | ||||||
| 243.063 | Uridine [-H(+)] | cpd:C00299 | 0.567454092661877 | 0.564573845682913 | 0.609975138403897 | 0.6428126972500128 | 1.006344566556847 | 0.8672682927300619 | 1.1470854948358196 | 0.9439391678703966 | 1.0795775069862104 | 0.9725664916914124 | 1.0151212999077757 | 1.0937186816951752 | 0.9616493952250713 | 1.1025120341478738 | 1.2075174069395203 | 1.1028422455725482 | 0.7547994243258893 | 0.83573495206094 | 0.9326775041270472 | 1.1759883401832254 | 1.07905267091206 | 0.9082404219417888 | 0.8993070011556223 | 0.9819122534410348 | 1.0747066769429932 | 1.1124123912704083 | 1.291331484893537 | 0.9521003842422703 | 1.0118632683815916 | 1.0008138042439432 | 0.9977262311910443 | 1.0454490198082795 | 1.0635418947780535 | 0.9747292352672736 | 1.0760490526198467 | 0.9884192397010504 | 1.0760760161525844 | 0.8679395899491551 | 1.0660037883590594 | 0.7232590095442802 | ||||||
| 246.015 | Pyridoxal phosphate [-H(+)] | cpd:C00018 | 0.7951333529667196 | 0.9808302472300378 | 1.0525572208450387 | 1.2148992638556158 | 1 | 1 | 1 | 1 | 1 | 1 | 1 | 1 | 1 | 1 | 1 | 1 | 1 | 1 | 1 | 1 | 1 | 1 | 1 | 1 | 1 | 1 | 1.2764821637115897 | 0.7160496763055149 | 0.8540613370725458 | 1.1958252277187378 | 1.3277867207327818 | 1.5162314101848324 | 0.8525671971092943 | 1.0785553793535387 | 0.9254105797985822 | 0.758585992990163 | 0.9762325750773668 | 1.0935204743774558 | 0.506052372234468 | 1.4701257870388353 | ||||||
| 246.088 | Deoxycytidine [+F(-)] | cpd:C00881 | 1 | 1 | 1 | 1 | 1.1120593509813848 | 1.0643405960571528 | 0.8613946751109848 | 0.9199804816089886 | 0.9856678483453808 | 0.9506745030253795 | 1.0507300637588122 | 1.0714124690605422 | 0.9661293685573549 | 0.9972139625897066 | 1 | 1 | 1 | 1 | 1 | 1 | 1 | 1 | 1 | 1 | 1 | 1 | 1.170273833784727 | 1.0702378506657753 | 1.00771323910257 | 1.0750646086786078 | 0.9933728872283678 | 0.946836131006888 | 0.9626685715187228 | 0.8676309716626509 | 1.0731762362878143 | 1.0002938628060694 | 1.0745525291159015 | 1.0906437159650653 | 0.8614737770720542 | 0.8627682253400265 | ||||||
| 250.094 | Deoxyadenosine [-H(+)] | cpd:C00559 | 1 | 1 | 1 | 1 | 0.9806998437978407 | 0.9226598747558986 | 0.9848589647523509 | 1.101523980537911 | 0.58138280790684 | 1.2832848708633737 | 0.836211527692744 | 0.6206761570066218 | 1.532751435827153 | 0.9912111904156667 | 0.8082940883174871 | 1.1260575319861066 | 0.7108932754386272 | 1.5748582891226643 | 1.1719089388468729 | 1.5473005643713456 | 0.798088674295765 | 1.0282635155953288 | 0.9900001094694648 | 0.9952875535755771 | 0.9433833148456684 | 0.8626151130953146 | 1.3070796559341251 | 0.24102810051154563 | 0.6501161491101889 | 1.478076653595171 | 1.692357137133901 | 2.176425472684089 | 0.725611016453546 | 1.5792223978628317 | 0.7227256338120115 | 0.4769832941682363 | 0.8758111352697051 | 1.0524167702644012 | 0.264212161548453 | 0.8127937622663902 | ||||||
| 257.104 | sn-Glycero-3-phosphocholine [-H(+)] | cpd:C00670 | 0.93508865280033 | 1.1126866348818976 | 1.243167133290998 | 0.994758590243059 | 1 | 1 | 1 | 1 | 1 | 1 | 1 | 1 | 1 | 1 | 1 | 1 | 1 | 1 | 1 | 1 | 1 | 1 | 1 | 1 | 1 | 1 | 1 | 1 | 1 | 1 | 1 | 1 | 1 | 1 | 1 | 1 | 1 | 1 | 1 | 1 | ||||||
| 259.024 | D-Fructose 6-phosphate [-H(+)] | cpd:C00085 | 0.7617415237620774 | 0.6637565114800108 | 0.6561560189557547 | 0.5278942634035362 | 1.1446405682164211 | 1.3375018599857151 | 0.9038683630422409 | 1.0303548895089745 | 0.8856340927406872 | 0.8758710155096049 | 0.8881006742967001 | 0.7659031367327938 | 1.258330139855679 | 0.9895740804838893 | 0.93263421314894 | 0.9796552796427693 | 0.9599215352881635 | 0.7922336845316652 | 0.6814878700422817 | 0.5486706821588122 | 1.2515387894968124 | 1.2546287865635113 | 1.2490839949858366 | 1.0868763473033571 | 1.1535452085237201 | 0.9799311910520146 | 0.7654723558650324 | 0.9447447703867362 | 0.9496224850327779 | 0.9703837867510279 | 1.1623368552997335 | 1.2275006630629464 | 1.1088844870703722 | 1.065248206762417 | 1.1896344100413665 | 0.8904424235151888 | 1.0600413899854886 | 1.1690199055069168 | 0.5974140806987471 | 1.3081140422024313 |
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| # Standard Deviation of the fold change values, corrected using median metabolite fold change values per batch | |||||||||||||||||||||||||||||||||||||||||||||||||
| Geometric standard deviation assuming normality of log values. To get absolute values mean*2^(log2(1+-SD)) | M129_timecourse_6h_3 | M129_timecourse_24h_3 | M129_timecourse_48h_3 | M129_timecourse_96h_3 | 24h_timecourse_4 | 48h_timecourse_4 | 6h_timecourse_4 | TF173_MPN303_5 | TF178_MPN250_5 | TF187_MPN674_5 | Tn051_MPN051_5 | Tn674_N/A_5 | WT_WT_5 | dldh,NoxE_N/A_5 | AA_perturbation_6 | Fe_perturbation_6 | Glu_perturbation_6 | Gly_perturbation_6 | KO51_mutant_6 | Ox_perturbation_6 | TF173_mutant_6 | TF183_mutant_6 | TF414_mutant_6 | TF462_mutant_6 | TF463_mutant_6 | Tn674_mutant_6 | blank_control_7 | Gly_ctrl_perturbation_7 | TF173_mutant_7 | TF178_mutant_7 | TF184_mutant_7 | TF187_mutant_7 | TF413_mutant_7 | TF462_mutant_7 | TF463_mutant_7 | Tn051_Gly_perturbation_7 | Tn674_mutant_7 | WT_perturbation_7 | WT_noGluc_perturbation_7 | water_control_7 | |||||||||
| Batch | 3 | 3 | 3 | 3 | 4 | 4 | 4 | 5 | 5 | 5 | 5 | 5 | 5 | 5 | 6 | 6 | 6 | 6 | 6 | 6 | 6 | 6 | 6 | 6 | 6 | 6 | 7 | 7 | 7 | 7 | 7 | 7 | 7 | 7 | 7 | 7 | 7 | 7 | 7 | 7 | |||||||||
| m/z | metabolite | KEGG ID | |||||||||||||||||||||||||||||||||||||||||||||||
| 59.015 | Acetate [-H(+)] | cpd:C00033 | 0.010422359448373136 | 0.12478569461208033 | 0.3139648950727054 | 0.19525435786682718 | 0.31420541936005697 | 0.2567625163539551 | 0.18953077036862737 | 2.3406635272921276E-4 | 0.536653409599258 | 0.20716782465966277 | 0.3172759577484522 | 0.43250050004559853 | 0.2828688445921118 | 0.4450128216014907 | 0.1915522731973044 | 0.2230672076963204 | 0.14421255195346064 | 0.13787710342993265 | 0.18259767485244296 | 0.16367475329120756 | 0.16176823513891012 | 0.295888727724913 | 0.3301524901800953 | 0.24060179169989637 | 0.1049093640750543 | 0.029332397417342414 | 0.22278334033323524 | 0.2511090213316432 | 0.15665950980213464 | 0.1619286433736492 | 0.0523741206325975 | 0.13286255683589918 | 0.4599985254919134 | 0.22790937670716302 | 0.5967861214210386 | 0.09179121840539753 | 0.06889346812800912 | 0.36576628036707043 | 0.0700850426335601 | 0.12410195869402284 | |||||||
| 74.026 | Glycine [-H(+)] | cpd:C00037 | 0.17525997611883246 | 0.054990376800221265 | 0.5614471529912257 | 0.2263681677356793 | 0.11603841235803258 | 0.15640240828097715 | 0.14975288122558575 | 0.009911904970231271 | 0.05514608710580275 | 0.10101228655807888 | 0.21639974792279562 | 0.03229629087490771 | 0.09737007765710433 | 0.24810948574320274 | 0.13111843534061043 | 0.10407492536145976 | 0.12827661237826612 | 0.14331407639972787 | 0.2239279588077284 | 0.2775860028393048 | 0.1984846220409685 | 0.06565081847657062 | 0.03940364803959378 | 0.16264700728782405 | 0.032882858606628 | 0.15581177694297346 | 0.126711765822485 | 0.28597020581800475 | 0.18526879634156784 | 0.11860771255105124 | 0.10919296774345073 | 0.2479145021335068 | 0.1940685788777726 | 0.14879002726432275 | 0.18058809627303693 | 0.13135848528363714 | 0.1431312510998628 | 0.15998004753985165 | 0.23188930573426803 | 0.2568994553875161 | |||||||
| 87.007 | Pyruvate [-H(+)] | cpd:C00022 | 0.023572838222344735 | 0.20678413118936997 | 0.5818903979115756 | 0.641954640683848 | 0.5890091384458853 | 0.2424332406423986 | 0.597940904647548 | 0.15622298044352484 | 0.09323093684180385 | 0.19520200264626764 | 0.11356471451851365 | 0.10921326243227017 | 0.22901365643489027 | 0.18845314822671713 | 0.1612195188882726 | 0.07069085528282776 | 0.14736920341685983 | 0.0682685365056386 | 0.20010047984089688 | 0.07915348554525355 | 0.1885355883848589 | 0.23714738338625788 | 0.15993912014900805 | 0.17840248754933594 | 0.031278127727150315 | 0.041535041578363754 | 0.1807217436599648 | 0.0497456408003661 | 0.30211056291324523 | 0.2724099444679927 | 0.022482886559768087 | 0.2128203468963732 | 0.4363270062350722 | 0.1495694979119514 | 0.4389070386908259 | 0.2321458830044049 | 0.02271091014204241 | 0.4338394656553729 | 0.12199420048557284 | 0.19472787603335884 | |||||||
| 88.041 | L-Alanine [-H(+)] | cpd:C00041 | 0.094532640264773 | 0.014218039524281781 | 0.3150684690529941 | 0.48065398460502984 | 0.3255693084135713 | 0.1908512961839228 | 0.23541829981054893 | 0.08476835720301613 | 0.2947839350761825 | 0.22039082602765647 | 0.15729194319472942 | 0.43438109506995715 | 0.268977142768395 | 0.22486182859465298 | 0.03901633029000482 | 0.05106141760484644 | 0.07890977269420522 | 0.053326286125777084 | 0.1667029796321941 | 0.11588113917272355 | 0.06327025311337404 | 0.045027924151976886 | 0.06076063074261546 | 0.056150725194876995 | 0.02165479048019098 | 0.041278640754228955 | 0.11425670512480346 | 0.03811603710500128 | 0.04622317222454939 | 0.03666094531760349 | 0.043392807517939086 | 0.026718038460841417 | 0.04759517978651745 | 0.05730122190635163 | 0.13078517859190736 | 0.042537723179462 | 0.061515566449890945 | 0.05390583526339836 | 0.012832613750066144 | 0.011060822900186288 | |||||||
| 89.026 | Glycerone [-H(+)] | cpd:C00184;(S)-Lactate [-H(+)];D-Glyceraldehyde [-H(+)];cpd:C00577;cpd:C00186 | 0.144921560331989 | 0.19428592555765997 | 0.5517505365119423 | 0.6291806497636199 | 0.09883265116856711 | 0.14936646512588259 | 0.0995909591547794 | 0.14130182599567037 | 0.33623995753004676 | 0.17609499571088885 | 0.20137324981538474 | 0.2648264076999772 | 0.3378002073072581 | 0.46471106712237675 | 0.07069300933831259 | 0.07953832130780152 | 0.08686103357763093 | 0.01737944131302667 | 0.3850611590300118 | 0.14112399351457586 | 0.14678713734222396 | 0.11598585766498926 | 0.08407001623746876 | 0.1303485363407426 | 0.06509446072107902 | 0.10491633736028777 | 0.2068467494355185 | 0.17816708615589621 | 0.0690077406137103 | 0.18011734939783733 | 0.12746374936256563 | 0.14570084775739126 | 0.24342604665862802 | 0.17622273683831063 | 0.4482198972124508 | 0.17649426354890121 | 0.4092918304250624 | 0.3887204421011467 | 0.06861499286202559 | 0.014060660977696487 | |||||||
| 91.04 | Glycerol [-H(+)] | cpd:C00116 | 0.27379670718858823 | 0.21472542613017298 | 0.1438249008428967 | 0.073410124177824 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.070724873669433 | 0.1937065159191247 | 0.26505015764011924 | 0.6789281944377187 | 0.3558260083218391 | 0.09272218514834442 | 0.05223512471484685 | 0.2808301798559858 | 0.18586628358282287 | 0.41582721229235675 | 0.35815187851450625 | 0.24553704550986058 | 0.32199999761264686 | 1.1180159526135824 | 0.26842608946492647 | 0.6914651276088198 | 0.4482088942516796 | 0.0996852019755353 | 0.35434964884463527 | 0.09045492640639569 | 0.48877322619492986 | 1.6151296311302006 | 0.9455147832426626 | 0.5114335070006377 | 0.22240046063326646 | 0.09749713781535428 | |||||||
| 94.03 | Glycine [+F(-)] | cpd:C00037 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.3523356481417159 | 0.40353500545757076 | 0.35908793386467835 | 0.17783364479568795 | 0.5355238473615628 | 0.4030847188634289 | 0.3006886873001159 | 0.11400576333015999 | 0.22257964459833285 | 0.04731327764359736 | 0.26360786172412337 | 0.2326836131390752 | 0.19914243507977905 | 0.019359991855332506 | 0.3245974303957595 | 0.33482585423904143 | 0.2663576534055361 | 0.03707568431602222 | 0.04831743469980727 | 0.5463069628780066 | 0.4905136491610809 | 0.46798119560305373 | 0.48953124875437215 | 0.3215893228843946 | 0.12430468676391856 | 1.3064312008229453 | 0.4178709768382254 | 0.5564525838928488 | 0.53191220406864 | 0.09484802928818202 | 0.08823122349495659 | 0.12560775893638548 | 0.3835365988741363 | |||||||
| 96.97 | Orthophosphate [-H(+)] | cpd:C00009 | 0.17812801660193583 | 0.30389742739364384 | 0.22449664002787564 | 0.3940012019326883 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.04256236664951486 | 0.014353063064127534 | 0.05264783188112539 | 0.05118225063642962 | 0.22025716790359165 | 0.2763734837451712 | 0.05739413928205459 | 0.12221600295875605 | 0.088770243568956 | 0.06185928784496783 | 0.02743440192187765 | 0.03152235081499938 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | |||||||
| 104.036 | L-Serine [-H(+)] | cpd:C00065 | 0.08261047962403997 | 0.10771081067364358 | 0.06973228404812966 | 0.33345014744443996 | 0.12187093992481027 | 0.14025669948990382 | 0.12183501590500725 | 0.17314387612868307 | 0.11427769709932566 | 0.16617041185363302 | 0.22739263950636282 | 0.11415890012728966 | 0.3019507701559248 | 0.45274102132048744 | 0.14845053658400773 | 0.1837008904634308 | 0.05344662378828898 | 0.13519697449643406 | 0.20662398448428856 | 0.09264241644896018 | 0.07861949999338033 | 0.03589288659554661 | 0.0678523886957859 | 0.15994423641160027 | 0.08371008876122389 | 0.015550930345375993 | 0.12205645757601728 | 0.04515039864524588 | 0.07469215947350816 | 0.1265682377949595 | 0.03911474773422515 | 0.10258640694509151 | 0.10723832455772124 | 0.12068003949290725 | 0.3624183234477206 | 0.02564652548354892 | 0.31646855237259247 | 0.19580007715460196 | 0.18175843643649378 | 0.22657936327040815 | |||||||
| 107.013 | Pyruvate [+F(-)] | cpd:C00022 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.3110158466362619 | 0.17979288380469516 | 0.19983232377051785 | 0.1491020412107638 | 0.19197390666187322 | 0.21712953161158333 | 0.25638077606335874 | 0.032975143006997124 | 0.393516313254909 | 0.15433154196129162 | 0.03621144750880674 | 0.3069434063799992 | 0.021704404606133713 | 0.017155998208072704 | |||||||
| 108.046 | L-Alanine [+F(-)] | cpd:C00041 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.1370608597755405 | 0.26279501567108837 | 0.048966663191131854 | 0.09234569092457194 | 0.15433072036810516 | 0.14261750920939803 | 0.10027849968650074 | 0.3148671897163048 | 0.27992393896324747 | 0.30977894725604477 | 0.0201400316366155 | 0.31152716330368196 | 0.24605124806463866 | 0.03665353913564721 | 0.1416728891203553 | 0.4805589851155182 | 0.12169057297662397 | 0.3026823890270948 | 0.9096147810067854 | 0.09651062433108093 | 0.39059040670919315 | 0.3229635089491801 | 0.3492199957644725 | 0.48814795536920064 | 0.07274229273596731 | 0.2310701626469709 | |||||||
| 109.03 | Glycerone [+F(-)] | cpd:C00184 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 9.42055475210265E-16 | 0 | 0.192640241087421 | 0.14930013975391362 | 0.07195516161667635 | 0.08180760288561799 | 0.34518876782689367 | 0.04677999139976147 | 0.14566101540568305 | 0.36179036563378386 | 0.28504908210457847 | 0.18405340779859594 | 0.04665586934416262 | 0.12690727167522273 | 0.24808912156569504 | 0.05986511809622349 | 0.13159424585847368 | 0.4874775884906531 | 0.22603054041547604 | 0.34919809796377316 | 0.6946831202135554 | 0.1090481123178168 | 0.4598363286275444 | 0.22936082895386495 | 0.5373288237813475 | 0.5085258704363791 | 0.0957818973523852 | 0.21599699084172946 | |||||||
| 111.02 | Uracil [-H(+)] | cpd:C00106 | 0.17922941652317964 | 0.16166826486099264 | 0.18747173730889952 | 0.14949344655143149 | 0.08316884990211643 | 0.15494184478437564 | 0.06684948139404119 | 0.16930995429393236 | 0.13515664872401775 | 0.6362674223792956 | 0.1488077526466189 | 0.2784063357403261 | 0.17701208201960208 | 0.1655231593538162 | 0.10383144234505064 | 0.022455352614782834 | 0.10059204211679965 | 0.016646451883141268 | 0.25385759755697646 | 0.12979424632309086 | 0.09388007603861034 | 0.15698393960749737 | 0.02674984955166856 | 0.14565717774837067 | 0.08338237022367273 | 0.005692646505784573 | 0.172516621878581 | 0.11489925823225683 | 0.08065135585196218 | 0.16574549026765137 | 0.10009311287786353 | 0.18434562504769286 | 0.06983911051284461 | 0.04528155756255756 | 0.12784414208053518 | 0.14716195509730012 | 0.15713465683959132 | 0.3077080919069069 | 0.2615578771068171 | 0.12199431294298459 | |||||||
| 111.045 | Glycerol [+F(-)] | cpd:C00116 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.2435286910645685 | 0.02666007623295446 | 0.1621794625308197 | 0.41065482157663374 | 0.2479035169645688 | 0.32680909665128777 | 0.6195277831777874 | 0.04214158617949569 | 0.43244401205188554 | 0.2889949866946224 | 0.46352240522561633 | 0.6173646081203935 | 0.19367604339427605 | 0.16633130278177094 | |||||||
| 114.056 | L-Proline [-H(+)] | cpd:C00148 | 0.05453733902404231 | 0.139335391363308 | 0.2899969058488998 | 0.435750941305573 | 0.26822628970676204 | 0.2674445262869151 | 0.1749940158442365 | 0.1218725771965594 | 0.41774116579661164 | 0.1295698165180064 | 0.16748251826519578 | 0.1399952390644696 | 0.27142248167139393 | 0.12131679371089892 | 0.22491209660304742 | 0.10764619645246391 | 0.1429196026747631 | 0.09249039937071862 | 0.1665595670581646 | 0.03292762941692706 | 0.17766244263506292 | 0.23636733729236956 | 0.25390875839172244 | 0.15358505283733026 | 0.09444916490194724 | 0.09399994403583256 | 0.04037286789042541 | 0.0691369949262125 | 0.18708310810932632 | 0.07295813950005228 | 0.07421337315465538 | 0.10413735359128135 | 0.14901446950043748 | 0.1851472400801354 | 0.38618099102768133 | 0.09712528328935431 | 0.11745087208770001 | 0.252441285499417 | 0.1979546574012849 | 0.017014641864385872 | |||||||
| 116.072 | L-Valine [-H(+)] | cpd:C00183 | 0.047768747312782175 | 0.04987159458876347 | 0.07551106807758927 | 0.22747070760569804 | 0.12203462643513886 | 0.12503495148477578 | 0.10615787955103884 | 0.032495053110277075 | 0.13216015811538812 | 0.1048763599827846 | 0.0884996097257017 | 0.037705216675622065 | 0.06866617302729613 | 0.019990466907698186 | 0.02239843795185041 | 0.057114165599749585 | 0.033427382002858184 | 0.11278328442747194 | 0.0714014769615482 | 0.015661637788494272 | 0.04450145762917944 | 0.004456776696200864 | 0.028874189777569153 | 0.016367370215338784 | 0.059862083534366506 | 0.036856801985463775 | 0.07168246034582719 | 0.056878439615979805 | 0.034996446365243225 | 0.042603938676481955 | 0.03830397323001361 | 0.0514885930700832 | 0.06142655784918076 | 0.062443438265978285 | 0.018408607010969247 | 0.0850799495617534 | 0.14354393308960617 | 0.07368094183126328 | 0.040803987160667264 | 0.042977704490889966 | |||||||
| 116.973 | Orthophosphate [+F(-)] | cpd:C00009 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.03499099179039141 | 0.4487771777006215 | 0.1440877562281774 | 0.09237662616472966 | 0.2306354450143706 | 0.2551588738753803 | 0.21783024826144184 | 0.20408550467773617 | 0.07493308952217988 | 0.26553386562669695 | 0.2697466609464314 | 0.14167475257925322 | 0.1519574095833065 | 0.15181100189693086 | 0.10242939134820218 | 0.07955059809437649 | 0.09814313070789968 | 0.09052217487733055 | 0.22308133643178743 | 0.28248221809658 | 0.1856688687106967 | 0.35149463878045967 | 0.11633422707923641 | 0.35307888704827367 | 0.42241382262782495 | 0.3202497181726858 | 0.1340741973972593 | 0.2602311933156481 | 0.18449509116322094 | 0.8922856687624119 | 0.19819761683309148 | 0.10156903134341376 | 0.7011881521181298 | |||||||
| 118.051 | L-Threonine [-H(+)] | cpd:C00188 | 0.05323581799721832 | 0.07985079375070982 | 0.10434739731021815 | 0.2758730795238468 | 0.11885408327504703 | 0.08674131679522852 | 0.12158293396717823 | 0.16130687268678157 | 0.01690988874634449 | 0.07875328092830396 | 0.11128125875494452 | 0.026400365007651586 | 0.14904526758728798 | 0.14583279595698787 | 0.1549372477455951 | 0.19956912680364478 | 0.06901163619971327 | 0.05307585772609376 | 0.24219204219281654 | 0.10888588288551869 | 0.11121196823618139 | 0.023531027066266835 | 0.04650921167235495 | 0.11506422793465766 | 0.0462552754160356 | 0.05608290582227238 | 0.10237231708958848 | 0.1451262618109754 | 0.07189324956333887 | 0.12455884535158367 | 0.10746311127464038 | 0.06254219330004997 | 0.10384928018625571 | 0.14357427879385423 | 0.2771936052130762 | 0.030207012930950544 | 0.13829608266905413 | 0.174774531629966 | 0.10563975679895873 | 0.08200062253467505 | |||||||
| 120.012 | L-Cysteine [-H(+)] | cpd:C00097 | 0.24588040298053784 | 0.22886463755512843 | 0.023770875713891436 | 0.26709091430912907 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.04629461545789495 | 0.345038380224647 | 0.027282915376397814 | 0.06740638896366481 | 1.413773233672452 | 0.39595522367751484 | 0.18433076739826937 | 0.001867846568191249 | 0.586366787961052 | 0.43065849358386493 | 0.6328467930824542 | 0.5576129992806624 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | |||||||
| 122.025 | Nicotinate [-H(+)] | cpd:C00253 | 0.0479033041583899 | 0.2705504292654624 | 0.12733284608666318 | 0.30409195810275824 | 0.08291670047243278 | 0.10965428445847727 | 0.18925178116528096 | 0.1128866227783971 | 0.24206745202485327 | 0.3934603114569561 | 0.18533419941263993 | 0.24135129837719804 | 0.33715880706040025 | 0.24881524982222553 | 0.10715640281962045 | 0.10201536447363149 | 0.09391373785270304 | 0.16079488403664077 | 0.15813818629149848 | 0.14545821159883118 | 0.07662544807459189 | 0.15563699696463484 | 0.22250060604816888 | 0.18354156476258274 | 0.04131376203471934 | 0.029945562430230825 | 0.3854888363809339 | 0.319943213544876 | 0.328625888258627 | 0.4310744750003854 | 0.19902197774658278 | 0.17680096352740407 | 0.807071901849342 | 0.2982978253319497 | 0.4599384415443026 | 0.42097710721300136 | 0.17808258655093123 | 0.2019553586398843 | 0.06687286911671833 | 0.24447410372581627 | |||||||
| 124.04 | L-Serine [+F(-)] | cpd:C00065 | 0 | 0 | 0 | 0 | 0.11420137676347575 | 0.11189188030299323 | 0.2415008341378009 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.11291471842504058 | 0.23385441294686055 | 0.08679350892063876 | 0.14965741636870825 | 0.25619531711920174 | 0.31271463506417085 | 0.24281302428646062 | 0.3462926994975932 | 0.33369495272159494 | 0.2004877799925264 | 0.07118722343341097 | 0.0742072199331646 | 0.40118627001284624 | 0.33861007563117707 | 0.3642166494986603 | 0.5083644802558028 | 0.20461396000055157 | 0.22913465662980173 | 1.2685394578400306 | 0.32121148785557 | 0.4508087110474504 | 0.4167250975847235 | 0.2132804582995488 | 0.2604319906857615 | 0.0639202223992565 | 0.2955435870376828 | |||||||
| 125.036 | Thymine [-H(+)] | cpd:C00178 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.16358602952075815 | 0.19633334747185432 | 0.13924147471253726 | 0.18088479893400383 | 0.2335432329065452 | 0.0874654242861587 | 0.07968628027567376 | 0.12277726123818879 | 0.05724616554728821 | 0.1835323140752426 | 0.07797314182821985 | 0.03342710677278358 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | |||||||
| 130.087 | L-Leucine [-H(+)] | cpd:C00123 | 0.057499238254706826 | 0.027732689275722408 | 0.04197827061236398 | 0.05024756639605809 | 0.04466712308132669 | 0.07635813348535742 | 0.01861869954123497 | 0.011368358448370716 | 0.05042686446607205 | 0.1111974878978975 | 0.07572273740946023 | 0.040281695125149286 | 0.041532014305215026 | 0.03691234313419741 | 0.01119619433796859 | 0.029651764566401825 | 0.018268852690850892 | 0.03423487474913343 | 0.06426961009777571 | 0.043433165954485826 | 0.012909814164687897 | 0.0194532340063546 | 0.013674697679603874 | 0.014154307893867174 | 0.01828437956254237 | 0.002235957638038939 | 0.019620889624570655 | 0.06208013198063333 | 0.03171169251453956 | 0.022653735330680772 | 0.02518153670238562 | 0.01732053211526776 | 0.03239059885878748 | 0.04814286739670706 | 0.05236019289521517 | 0.03870105130590564 | 0.060549345534923533 | 0.013962119328115568 | 0.02283207442722401 | 0.01878447047698391 | |||||||
| 131.045 | L-Asparagine [-H(+)] | cpd:C00152 | 0.3631568688228404 | 0.23867655830498258 | 0.13133950360777244 | 0.6969663541799045 | 0.06505495077724378 | 0.11583134404815125 | 0.0588974206138055 | 0.21386434101250104 | 0.06588458758446113 | 0.10418337068327634 | 0.09973791272254534 | 0.12411572223849726 | 0.13277927844800375 | 0.016966950020825194 | 0.26008454894287636 | 0.1491329123561601 | 0.11387160865280659 | 0.0726791735063124 | 0.13988066474128077 | 0.07967381472917236 | 0.09622715894375738 | 0.13682866071990807 | 0.10359973296287202 | 0.13363881793601778 | 0.09661522221901934 | 0.05473942674053222 | 0.0848423259869896 | 0.07076637320129568 | 0.013838374306534385 | 0.15605597881213873 | 0.19601007820682143 | 0.08836977939252832 | 0.025564563191582235 | 0.033220611558957724 | 0.21027216352892433 | 0.04486763086603088 | 0.20260002383125936 | 0.18225610387672683 | 0.0967037080854011 | 0.07007114387415894 | |||||||
| 131.082 | L-Ornithine [-H(+)] | cpd:C00077 | 0.09287143809956383 | 0.09697138858952857 | 0.24053123746988 | 0.6470367606475135 | 0.22013804642935716 | 0.227847330711892 | 0.14314734321288 | 0.030248261002388723 | 0.1616300074602513 | 0.10151919802642068 | 0.1261108743879435 | 0.07065778764153685 | 0.20783889913298778 | 0.16137544798701073 | 0.0804840240345319 | 0.018375900455352274 | 0.07030836392967772 | 0.06079878687175292 | 0.09232018552753128 | 0.11032410808750248 | 0.03730325039299218 | 0.130204163740992 | 0.06267447304271681 | 0.0409239627405996 | 0.08188568419483287 | 0.0284642144208049 | 0.09379043193771452 | 0.22100140944700084 | 0.12145953245130438 | 0.11252826472552228 | 0.1809748516495006 | 0.22494190794442984 | 0.11510976877968375 | 0.12482377643629945 | 0.17125380361013598 | 0.1625035174793316 | 0.11310630052130208 | 0.15752457868142908 | 0.3982668173096669 | 0.1978783791803159 | |||||||
| 132.03 | L-Aspartate [-H(+)] | cpd:C00049 | 0.04592706482006566 | 0.1363581354203249 | 0.30079010320391625 | 0.3008946688096573 | 0.31266642906232645 | 0.3048601646445816 | 0.2277481168304259 | 0.12430484272392694 | 0.24348811701251732 | 0.2459569004781367 | 0.17810250316759565 | 0.14435417029608608 | 0.3410699184941437 | 0.3469877172383209 | 0.0377740337787922 | 0.02680519996711245 | 0.0419415403943907 | 0.05343582447163853 | 0.2786562763411335 | 0.24405860700426105 | 0.05104971676306954 | 0.06268728096413233 | 0.08034390971870031 | 0.06810233727631486 | 0.04999469443509748 | 0.008415478538670083 | 0.13222719177555234 | 0.37356831946726404 | 0.14045775381976383 | 0.08309719931806706 | 0.05534063575238653 | 0.0508825883975729 | 0.13980148663169545 | 0.25942767560629365 | 0.5414910953039522 | 0.09070987535376952 | 0.09553356376489881 | 0.21498701972211945 | 0.11260640238805189 | 0.20171796354671326 | |||||||
| 134.029 | L-Homocysteine [-H(+)] | cpd:C00155 | 0.023663373508265126 | 0.26612497205414 | 0.895193715798898 | 0.38450672217136755 | 0 | 0 | 0 | 0.2601871520025653 | 0.34003037438145 | 0.34748532766678486 | 0.15839389742653684 | 0.2240459966414733 | 0.29676076286182823 | 0.1291680041429902 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | |||||||
| 134.047 | Adenine [-H(+)] | cpd:C00147 | 0.11546476282129822 | 0.0258153986556066 | 0.23875564150583023 | 0.2019721480123511 | 0.043946371258692336 | 0.16309630268804312 | 0.04419999767013748 | 0.032224789010340295 | 0.06910095448150902 | 0.1934003573982784 | 0.1854693908154452 | 0.15160997323625797 | 0.15693775768827237 | 0.14106260416680239 | 0.07046618175704658 | 0.09502381319642858 | 0.05159319127733202 | 0.07016244649602191 | 0.2518923301034062 | 0.26314373712261135 | 0.06598279279179811 | 0.11633916113844116 | 0.042284403572379524 | 0.05539888547684093 | 0.02205065205337802 | 0.009997758752756146 | 0.05965084503048102 | 0.031901705979632954 | 0.08295826679292886 | 0.04783189981425748 | 0.06222314198049732 | 0.06894100377848518 | 0.3028508641568653 | 0.04885066794333983 | 0.042369822035522815 | 0.046850583357027534 | 0.15231584963938263 | 0.170665580369291 | 0.019656881226528845 | 0.01893441571242794 | |||||||
| 134.061 | L-Proline [+F(-)] | cpd:C00148 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1.88411095042053E-15 | 0 | 0.02600497001434208 | 0.08811422768883617 | 0.030863393760206352 | 0.11862874693621507 | 0.20465063971107517 | 0.32555052428132714 | 0.15620344219975313 | 0.07176117552470344 | 0.020460960559012545 | 0.0179575474479333 | 0.06676583435296025 | 0.06736651232393728 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | |||||||
| 136.077 | L-Valine [+F(-)] | cpd:C00183 | 0 | 0 | 0 | 0 | 0.23636479329081891 | 0.1854088862183315 | 0.13734091673406054 | 0.3282783014328894 | 0.10898460042467585 | 0.5026218022068789 | 0.1253307837161774 | 0.21186485492152504 | 0.3704362503100217 | 0.23074884165659457 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.21538712117783063 | 0.08434675517281082 | 0.05594285879620338 | 0.3314443813791183 | 0.1322517121886483 | 0.3197706721106764 | 0.3566589381449379 | 0.13840826897397004 | 0.33944367447818824 | 0.20655820801572466 | 0.2427762015350329 | 0.3360454743298839 | 0.10000555998042841 | 0.2253550758214296 | |||||||
| 138.056 | L-Threonine [+F(-)] | cpd:C00188 | 0 | 0 | 0 | 0 | 0.14070940800101833 | 0.10813113848173038 | 0.26996216415009283 | 0.3474791272979185 | 0.12487572674381273 | 0.4482770136218086 | 0.07665314976748902 | 0.22304069631939974 | 0.2831585067776102 | 0.2219811113335236 | 0.12967234382419082 | 0.1308909488469745 | 0.14639225592603755 | 0.1078836006339903 | 0.24486505210163462 | 0.029123459500190362 | 0.02549040713542298 | 0.3622643607550489 | 0.12653497008058257 | 0.08703474495920921 | 0.1371201505725586 | 0.21684607457694655 | 0.20029679842937692 | 0.09196196755299323 | 0.11051182415580503 | 0.32479071958722755 | 0.08223263299893126 | 0.26898289089457444 | 0.40217655320741535 | 0.12954356678595072 | 0.2736955846840653 | 0.2553212843507844 | 0.20930724749359428 | 0.3417909230952108 | 0.0676642389626818 | 0.19780276696745763 | |||||||
| 138.98 | Acetyl phosphate [-H(+)] | cpd:C00227 | 0.3854309290364768 | 0.38111695684469277 | 0.19624898754991393 | 0.26489566241459944 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1.88411095042053E-15 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | |||||||
| 139.975 | Carbamoyl phosphate [-H(+)] | cpd:C00169 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.10497482691956893 | 0.326968505164543 | 0.30655611168288255 | 0.2036564878894014 | 0.208776909811411 | 0.21000745305515064 | 0.4317931986748836 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.126197718606407 | 0.4318584608979069 | 0.26582477998912246 | 0.13871999829325268 | 0.3119872557546381 | 0.15288234442526866 | 0.21338483380603085 | 0.32549237790731056 | 0.3264260834783239 | 0.18966044878885577 | 0.22146107390106382 | 0.42734778124413 | 0.1541973665948878 | 0.16713298583957345 | |||||||
| 145.041 | Thymine [+F(-)] | cpd:C00178 | 0 | 0 | 0 | 0 | 0.1601430740219386 | 0.24908365851389747 | 0.28041493699803144 | 0.27982850766027034 | 0.07999977952517966 | 0.31609712753052555 | 0.09154532195008992 | 0.20852474237855978 | 0.17491057183037723 | 0.155651234062819 | 0.08651225417381748 | 0.1949827657666114 | 0.13028288172731337 | 0.15901509324082694 | 0.25120983414240705 | 0.11325822319940536 | 0.08088866198981244 | 0.18595270022239868 | 0.32006204326225685 | 0.17052668765560586 | 0.15507247698808657 | 0.16533499235680582 | 0.21085052390157502 | 0.07858741705585065 | 0.07432894145903945 | 0.39330880102282434 | 0.15331780935150882 | 0.24936215924232114 | 0.6545414299931084 | 0.06416914381144363 | 0.3010503935651993 | 0.2535546054293209 | 0.34689657599786117 | 0.30075566428011374 | 0.027455691111001643 | 0.21790549261625777 | |||||||
| 145.062 | L-Glutamine [-H(+)] | cpd:C00064 | 0.0698608641939046 | 0.11203862233875832 | 0.1612149648776448 | 0.3627332849237309 | 0.10810030865324703 | 0.08815715150979112 | 0.06387204794342753 | 0.2611203902192273 | 0.13536211589039773 | 0.1832236780250703 | 0.16385100291108431 | 0.31395000502027426 | 0.32822239685994514 | 0.21319572632033398 | 0.046303082800290475 | 0.1508320048714028 | 0.05098299246262289 | 0.19275862597922605 | 0.25684032783873323 | 0.1393105657131382 | 0.11599233087086788 | 0.12158065156713087 | 0.1821153774945568 | 0.18352366555634614 | 0.10548328635944214 | 0.08615097498185431 | 0.09002773935731283 | 0.05910976845860821 | 0.20435113557852516 | 0.14827681354901964 | 0.5030975708996495 | 0.3624719311561691 | 0.49413505190556845 | 0.1986460250862665 | 0.020926037220240477 | 0.05420197050619443 | 0.33386807191925405 | 0.26283396699466194 | 0.18351300052469002 | 0.2751996767750169 | |||||||
| 145.098 | L-Lysine [-H(+)] | cpd:C00047 | 0.13307519764076814 | 0.19572876292360616 | 0.27856676826837723 | 0.9615142798233913 | 0.18615171771519465 | 0.278472700743095 | 0.18958874125730402 | 0.0027824872992306985 | 0.4595190617013714 | 0.08779826796650395 | 0.051748570317619355 | 0.0936558133584683 | 0.3262506110727699 | 0.12576144792509175 | 0.05433177059701836 | 0.03294549946909877 | 0.04332500453111506 | 0.07699094106607336 | 0.02680385721858921 | 0.08429563356774969 | 0.0606958792584664 | 0.09061476311726502 | 0.005372048489599196 | 0.03516636228550045 | 0.048516224991011145 | 0.01848611059117486 | 0.13049544418799167 | 0.2622441642197627 | 0.1908079288302196 | 0.1679012393027448 | 0.20854693453555162 | 0.2563928068761512 | 0.21866050518551108 | 0.0764152721343126 | 0.1927079490924964 | 0.21699993544642313 | 0.10380250122489701 | 0.1812183194530865 | 0.38231029776961467 | 0.34156450159366925 | |||||||
| 146.046 | L-Glutamate [-H(+)] | cpd:C00025 | 0.03212356407800925 | 0.14927201841014334 | 0.22046588599010628 | 0.17010699346599048 | 0.17746695457840417 | 0.2683293953841428 | 0.17285296708840878 | 0.0873486526678885 | 0.12085585795134557 | 0.2437478096633635 | 0.22454676381315697 | 0.07672300455904682 | 0.2780440552478672 | 0.30113958715133005 | 0.017971268903219467 | 0.05904382753243795 | 0.09126817008336559 | 0.01564828096379297 | 0.19017636616061773 | 0.17941871366731704 | 0.08781707307537691 | 0.12646867610481308 | 0.050589152456289734 | 0.02344553562611615 | 0.017452092155138682 | 0.024549971770164214 | 0.13218907052729928 | 0.11170344651125409 | 0.04501756114048805 | 0.055837627856117025 | 0.10500841685075647 | 0.06322501233586632 | 0.09320527432097758 | 0.17179546798846976 | 0.35649596104915326 | 0.06974030134891633 | 0.33573643789971674 | 0.09702273012658227 | 0.030835964169355117 | 0.17785005393061942 | |||||||
| 148.043 | L-Methionine [-H(+)] | cpd:C00073 | 0.054727238639126985 | 0.05603132985203391 | 0.01914451222553134 | 0.18913798411972604 | 0.08532946849821982 | 0.110122580551571 | 0.0678608456915946 | 0.03556730785976816 | 0.04898440421559929 | 0.05962878242981715 | 0.11346919173916738 | 0.010760034101977924 | 0.04621067135264071 | 0.05810355050780212 | 0.05980387470398488 | 0.09764422720076996 | 0.032609014263276226 | 0.08730472469265622 | 0.06598716418914798 | 0.8843861256333158 | 0.03178003569479215 | 0.040808528388274 | 0.028444859471369016 | 0.0752564389561261 | 0.04678761876750569 | 0.03384745947449173 | 0.13852915910274877 | 0.11059507483006574 | 0.1263255771461872 | 0.17615679083560962 | 0.10352096260423603 | 0.1091427768793296 | 0.3341849030875857 | 0.20587455039366667 | 0.19207632044334222 | 0.08661718786421255 | 0.09540413612673733 | 0.09011565042353632 | 0.10381022360698293 | 0.15679560837432882 | |||||||
| 149.046 | D-Ribose [-H(+)] | cpd:C00121 | 0.06771806469979097 | 0.056484145663083934 | 0.13521685999842087 | 0.08706151964129961 | 0.19820675061660314 | 0.13568733090309465 | 0.19373909431789268 | 0.17341258108579033 | 0.5912928667913434 | 0.2987138412861453 | 0.24928099356518352 | 0.4182517671876113 | 0.5570488210396516 | 0.5385440935025055 | 0.1320445910255813 | 0.1605294147929384 | 0.1338478335274895 | 0.08570698801271101 | 0.18414832800201275 | 0.2239748791835799 | 0.1742677248760463 | 0.24557669484579908 | 0.07939006286881735 | 0.14281402146835528 | 0.04582951778975583 | 0.11775355677784725 | 0.604576935487548 | 0.4127444351041047 | 0.648453736200235 | 0.453627139661834 | 0.5689450967919674 | 0.08247929705816912 | 1.3730741173303884 | 0.5524324456077742 | 0.9586933544029633 | 0.5034534024428695 | 0.567653657687822 | 0.07159179919894162 | 0.07951848729736595 | 0.46838285293198567 | |||||||
| 150.042 | Guanine [-H(+)] | cpd:C00242 | 0.278038441349892 | 0.08357413686112465 | 0.22250014507498353 | 0.1739166030669083 | 0.14859617391216753 | 0.11179183109744802 | 0.17699128650888307 | 0.06172177266373172 | 0.07042397194205435 | 0.10572095882313123 | 0.03968978746622026 | 0.03739473663584861 | 0.15325579144351642 | 0.07023895500067807 | 0.11135928359766131 | 0.047027233251891065 | 0.09326688499374376 | 0.12126881534638399 | 0.05899525979927875 | 0.14481054276125863 | 0.09356126032647906 | 0.1539550802656334 | 0.1213307240197143 | 0.04601414711738459 | 0.068287853428205 | 0.1909932039817706 | 0.1310413632004315 | 0.09334338520642012 | 0.09708094535936969 | 0.07216838649846068 | 0.09624369884889059 | 0.08998413320197399 | 0.21749395745191388 | 0.06229526324604242 | 0.2950423627809841 | 0.08392755919591673 | 0.29617510017702886 | 0.16880377900948884 | 0.06316518089326337 | 0.1385118268543873 | |||||||
| 151.051 | L-Asparagine [+F(-)] | cpd:C00152 | 0 | 0 | 0 | 0 | 0.0936694865826308 | 0.13621236005945758 | 0.23722834651508043 | 0.2506386039835155 | 0.1367457337775236 | 0.4675398438179869 | 0.12321478516668892 | 0.27586573727910096 | 0.27170806542737574 | 0.22929787867281007 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.26944824678860635 | 0.02275851871441319 | 0.01790003417842456 | 0.2824958303685723 | 0.03820770904254609 | 0.17812081578986966 | 0.2878949393833471 | 0.05601988194429403 | 0.1000142650707324 | 0.22397334121077428 | 0.27216832012219316 | 0.20082779727825167 | 0.08980708563855624 | 0.21147731724280447 | |||||||
| 151.087 | L-Ornithine [+F(-)] | cpd:C00077 | 0 | 0 | 0 | 0 | 0.11965974012095372 | 0.17133525583418852 | 0.26287107949749783 | 0.14937403054588363 | 0.18935445136213147 | 0.5023354019078515 | 0.26732111460436647 | 0.44661746102977895 | 0.36629576531270863 | 0.19069488893638578 | 0.12628031832260891 | 0.21275840457017592 | 0.13909479321134027 | 0.1257662634075684 | 0.32068135914853807 | 0.44138112375971783 | 0.019505796417108173 | 0.2575795999796734 | 0.11736929582333633 | 0.3040095259233196 | 0.20059862688092486 | 0.08157568133835273 | 0.3488446023047662 | 0.2999638614207806 | 0.24031462926353933 | 0.2563659930945844 | 0.16511900569546847 | 0.22392894261712817 | 0.37414402300398014 | 0.23148219608313075 | 0.20983901756892004 | 0.16907072077069607 | 0.37556108384782516 | 0.18044326714188125 | 0.03500167396617803 | 0.15202927309609793 | |||||||
| 152.036 | L-Aspartate [+F(-)] | cpd:C00049 | 0 | 0 | 0 | 0 | 0.07348707739339219 | 0.16150233767002603 | 0.054705425206323495 | 0.14525667164387357 | 0.14714803254368797 | 0.4204870277080874 | 0.06697619220322958 | 0.1411216119037632 | 0.24906653558006658 | 0.12087350596271611 | 0.15236209545994286 | 0.0847835515988292 | 0.15390085339212384 | 0.23229662948275578 | 0.49223979942451146 | 0.31015240029266217 | 0.11737649957355732 | 0.045622997622357594 | 0.08226351073032866 | 0.019404483093296596 | 0.07582939306367828 | 0.032343848228625745 | 0.353734891616259 | 0.2738269320044128 | 0.3429083827245818 | 0.37204382976753714 | 0.2688114781889274 | 0.1323170447271215 | 0.8047607516738913 | 0.32191836561320414 | 0.47493807271226174 | 0.2863971540547906 | 0.23449342479479063 | 0.19309068966831183 | 0.031074032862835617 | 0.31426475833239886 | |||||||
| 154.033 | L-Homocysteine [+F(-)] | cpd:C00155 | 0 | 0 | 0 | 0 | 0.5125787898205811 | 0.43798785557149045 | 0.17107638592705113 | 0 | 0 | 0 | 0 | 0 | 9.42055475210265E-16 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.1801267507288754 | 0.1782419205042541 | 0.11952876229871938 | 0.33035330915472744 | 0.10755074893948631 | 0.05769810269606448 | 0.35102656263906573 | 0.1730807860343869 | 0.2511776100713219 | 0.16535648664851876 | 0.2911125312503863 | 0.1973947392017194 | 0.1209083909875928 | 0.03279623082729555 | |||||||
| 154.052 | Adenine [+F(-)] | cpd:C00147 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.1369135977343571 | 0.07181345724727826 | 0.08923151914921204 | 0.16185153508079372 | 0.04318304599446518 | 0.1411611255390142 | 0.14005476494671018 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.4569286358645622 | 0.4140947755875045 | 0.408788227061371 | 0.5178025114830026 | 0.3026707167238599 | 0.10963963424581567 | 1.2314419945018145 | 0.3412998074267489 | 0.4951885714155483 | 0.5229994747163 | 0.38049305086965485 | 0.12009750581112837 | 0.006663619659542378 | 0.33894746172244217 | |||||||
| 154.058 | L-Histidine [-H(+)] | cpd:C00135 | 0.13731345097102193 | 0.21624225088909088 | 0.25622001125022864 | 0.8374193733788575 | 0.07437978835466964 | 0.08745869098297201 | 0.09291058522618172 | 0.0026951390109929336 | 0.07874275450559022 | 0.27238938596229045 | 0.23947798824793878 | 0.07711840646740385 | 0.2365788959015172 | 0.16541429175441588 | 0.08370651536231441 | 0.06933206117576415 | 0.053721468353251034 | 0.07477097684533089 | 0.14127232583809823 | 0.12653301835194622 | 0.07201067678506382 | 0.0063276865493153865 | 0.03076830268561131 | 0.03698630762049343 | 0.019707151232443813 | 0.04299908907535833 | 0.0497482540121354 | 0.07326679799391987 | 0.03658724647508232 | 0.03344685898400487 | 0.12946679625865967 | 0.09077446748806876 | 0.03987382651073013 | 0.07581764541155234 | 0.10526920737443944 | 0.04756783994300882 | 0.34948403803838823 | 0.09224159311944602 | 0.05425169349172207 | 0.13567386354644184 | |||||||
| 159.977 | Carbamoyl phosphate [+F(-)] | cpd:C00169 | 0 | 0 | 0 | 0 | 0.2385771555861031 | 0.304030671455799 | 0.31100520464027936 | 1.150291348864762 | 1.0121068662795334 | 1.1306163987121147 | 0.4282695841917131 | 0.764749092262525 | 0.965997995704128 | 0.32961090987711633 | 0.19661344293549418 | 0.16625764692198136 | 0.045319339043043486 | 0.11174609615978034 | 0.10736411284559251 | 0.4526587999718639 | 0.12267418485655061 | 0.5503435529577227 | 0.4503901399275681 | 0.3813174451819428 | 0.17687314604025348 | 0.16936449059049297 | 0.16412164191779108 | 0.22288061518732105 | 0.38954623801541866 | 0.21800899263141463 | 0.07782747538776078 | 0.2951924799678784 | 0.3637199270115969 | 0.35102999890901043 | 0.5365266528530408 | 0.2965815284664447 | 0.6953210451637218 | 0.5733401019849818 | 0.2483985151703506 | 0.08497417171843266 | |||||||
| 164.072 | L-Phenylalanine [-H(+)] | cpd:C00079 | 0.08823890692129924 | 0.010689525748178108 | 0.16782802404156114 | 0.25390203196427624 | 0.06710278047371177 | 0.051406416776933875 | 0.049734813830205116 | 0.0657547393676011 | 0.1331389794938611 | 0.16494140430215015 | 0.10393321548230812 | 0.04686311004791588 | 0.1106869557692986 | 0.059754159079686446 | 0.02459402292082701 | 0.026324117887478748 | 0.03392728048172838 | 0.06781534880996437 | 0.0068417972228009254 | 0.05333181307887206 | 0.016994250652421293 | 0.03896143601385452 | 0.04449558325550522 | 0.027549290961867416 | 0.039594706862063955 | 0.002071421591696629 | 0.0746528136439611 | 0.12028177274114063 | 0.08006692591881907 | 0.08595403090322447 | 0.04593131747331383 | 0.07070771836235587 | 0.15146416823905842 | 0.0332902005822835 | 0.09369807663566276 | 0.1181431674474377 | 0.1665485786273929 | 0.10818966544154349 | 0.08175829621221571 | 0.10293886942247578 | |||||||
| 165.067 | L-Glutamine [+F(-)] | cpd:C00064 | 0 | 0 | 0 | 0 | 0.08276419581018908 | 0.15799241152329394 | 0.12814728985526305 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.22733877390139237 | 0.11331696365402755 | 0.11033779700318784 | 0.22283362585361746 | 0.1276902041865332 | 0.16581304725714682 | 0.22153446024878037 | 0.05449003309968472 | 0.1456838787301819 | 0.13093569154642112 | 0.7636424330663847 | 0.23995924743892694 | 0.10054348266347948 | 0.13122258826324662 | |||||||
| 165.104 | L-Lysine [+F(-)] | cpd:C00047 | 0 | 0 | 0 | 0 | 0.1584140402016821 | 0.17202044595486973 | 0.24546392120796345 | 0.14148379842354775 | 0.25139297739961375 | 0.5552339984929169 | 0.26867114573690815 | 0.4629864967797579 | 0.40398224877195377 | 0.2161719802886319 | 0.1029393735499975 | 0.1815838464981796 | 0.04772162466771439 | 0.20508076682818935 | 0.4300752702906841 | 0.4882545266089603 | 0.049126200748170645 | 0.23658048965150624 | 0.14409062256275482 | 0.2432870492329836 | 0.226447879356266 | 0.07897314094005833 | 0.3585989540849929 | 0.38313024444730803 | 0.31980225861848616 | 0.27219500508173006 | 0.23801166480679747 | 0.2806573509728506 | 0.38458199129593545 | 0.2693163904199433 | 0.17070672393937522 | 0.12729468611279446 | 0.36357934842553885 | 0.21499337378552083 | 0.14801786344759055 | 0.10646037557705892 | |||||||
| 166.052 | Pyridoxal [-H(+)] | cpd:C00250 | 0.19373183459683474 | 0.19036793483815695 | 0.060729158505103555 | 0.07205364646899941 | 0.07475388410312922 | 0.08994756072610512 | 0.18570424623196163 | 0.08893601124248438 | 0.12991350150332093 | 0.2217354267231311 | 0.12885340920069688 | 0.03825738812595297 | 0.24424722473116958 | 0.04552913164304228 | 0.33549427633950674 | 0.38053280830109093 | 0.17978135226756603 | 0.09757156022377009 | 0.15401200117434458 | 0.2658540167559798 | 0.051327566601752535 | 0.16417668367933952 | 0.13740537126154703 | 0.2362263432626392 | 0.07807856431991685 | 0.1194700131821575 | 0.35633741225424154 | 0.2078248366219449 | 0.38208403000918906 | 0.36923561846386754 | 0.20148276369399237 | 0.1538317593366317 | 0.7989558659628054 | 0.31818044500280324 | 0.4471844387124717 | 0.3197489182550788 | 0.32486848148304664 | 0.15557421527253507 | 0.0839021675092352 | 0.26251117583452455 | |||||||
| 168.054 | L-Methionine [+F(-)] | cpd:C00073 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.14073001397504004 | 0.12115319734490326 | 0.25304117962569334 | 0.1665514661650715 | 0.20461429701998898 | 0.19430061362072418 | 0.09763912541491152 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | |||||||
| 168.991 | Glycerone phosphate [-H(+)] | cpd:C00111 | 0.34585649767281423 | 0.7122931260731681 | 0.8171807912719325 | 1.256944839039541 | 0.22783420322507422 | 0.40876865091946035 | 0.13343714379914012 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | |||||||
| 169.05 | D-Ribose [+F(-)] | cpd:C00121 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.22669629439886357 | 0.0686326848721299 | 0.00605082908233133 | 0.46510008620604765 | 0.3107607374317733 | 0.39586699840620554 | 0.4144242834483782 | 0.09321480651277643 | 0.49904948346106115 | 0.3446346635008047 | 0.4617218741895915 | 0.6346427461370571 | 0.055384273528055694 | 0.27737436331733584 | |||||||
| 170.045 | Guanine [+F(-)] | cpd:C00242 | 0 | 0 | 0 | 0 | 0.29827473307090735 | 0.15808498625115108 | 0.22256151186245335 | 0.05163392259286801 | 0.19279024641723672 | 0.2198238173035303 | 0.08889932165136843 | 0.03319822252283136 | 0.11190430092694416 | 0.08144272765677216 | 0.17043428930048873 | 0.04641291528971969 | 0.049372346177408225 | 0.07033394152353342 | 0.09247646004271604 | 0.15247289975152511 | 0.06313246723601654 | 0.10570661961457146 | 0.30289957008523666 | 0.15013238819476196 | 0.0724205412033579 | 0.1048489993590877 | 0.13240538454057998 | 0.21179512500722028 | 0.044389845458861675 | 0.23736146673520975 | 0.044815510954986766 | 0.0702085299369008 | 0.24897830735282067 | 0.07045385873940477 | 0.20618090252738447 | 0.07133774081319592 | 0.2686373371377541 | 0.06897611229161604 | 0.16549131395581954 | 0.062238280628596133 | |||||||
| 171.007 | sn-Glycerol 3-phosphate [-H(+)] | cpd:C00093 | 0.13111081880355357 | 0.10920209381278702 | 0.10907552731738755 | 0.41448599101496575 | 0.5386037342876802 | 0.6414173682488565 | 1.127971187370103 | 0.09682255152335296 | 0.10841755333080812 | 0.3497928320020292 | 0.37231480780845366 | 0.0499399272381901 | 0.180143544709559 | 0.28263739278723526 | 0.23994432037492597 | 0.08954514309520224 | 0.3239041611703806 | 0.09355504072675594 | 0.4335622708038434 | 0.3167074078997864 | 0.13247558758805578 | 0.1547957422802496 | 0.17180358799932022 | 0.07464847073407753 | 0.22475290184693397 | 0.08083066697964983 | 0.07030858919190158 | 0.08941324570468755 | 0.12786711302209955 | 0.06526831129552145 | 0.0844359421384718 | 0.11587432156708388 | 0.42833069052167594 | 0.0454648575630025 | 0.14578916304177014 | 0.39933367793108476 | 0.18262953032316392 | 0.09844066262394646 | 0.011628804238450823 | 0.1545386639919809 | |||||||
| 173.105 | L-Arginine [-H(+)] | cpd:C00062 | 0.09799081324505264 | 0.16675610341859373 | 0.19128956532004487 | 0.7306555562360316 | 0.1708220681448235 | 0.26463641209868416 | 0.1527615984298134 | 0.0543908082704228 | 0.17420842527032573 | 0.09948906542600694 | 0.2068139954473302 | 0.06321963958344297 | 0.2706913707798244 | 0.14621892518944912 | 0.0559294433093933 | 0.04065275720407248 | 0.06456287573356931 | 0.0677693152040306 | 0.060683420071340165 | 0.07235040972646349 | 0.026275654653938437 | 0.12413070735247655 | 0.06291074493095432 | 0.033452714633301205 | 0.047840766989498504 | 0.029717343860790453 | 0.12073457991237672 | 0.2874325813290547 | 0.1571733246173206 | 0.1073056397534675 | 0.23555076457696145 | 0.2935790107167813 | 0.16865180183557135 | 0.12148198236768888 | 0.20163581971481911 | 0.19033320677072277 | 0.153831218883184 | 0.17789172077151236 | 0.46205460153038624 | 0.28078328104945055 | |||||||
| 174.067 | L-Histidine [+F(-)] | cpd:C00135 | 0 | 0 | 0 | 0 | 0.1301481916481245 | 0.1434499724684282 | 0.17045309634651062 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.200069133008463 | 0.16441701728254093 | 0.04984825109501054 | 0.2038613327071898 | 0.11712974381132404 | 0.18544438154149678 | 0.21125235623249838 | 0.11700555184035637 | 0.16608645044495812 | 0.15954234618175042 | 0.3413844168935451 | 0.30574017909067264 | 0.07022025783650702 | 0.18448767035890104 | |||||||
| 174.089 | L-Citrulline [-H(+)] | cpd:C00327 | 0.10939409072936958 | 0.3614699275963177 | 0.08996874027418578 | 0.6994766961233403 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1.88411095042053E-15 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.2293880130461362 | 0.03354342432194641 | 0.038845188793822594 | 0.14792861447200903 | 0.250901110767274 | 0.24558371911046237 | 0.18811284856819077 | 0.1148318942950628 | 0.04151103363995862 | 0.013161943393888712 | 0.10223057990379585 | 0.18344183241542633 | 0.07228506462357595 | 0.08885485039137228 | |||||||
| 175.026 | Ascorbate [-H(+)] | cpd:C00072 | 0 | 0 | 0 | 0 | 0.3516178375435127 | 0.13458051373236748 | 0.1431544360116458 | 0.06652165671566257 | 0.17047086253917107 | 0.3032975242363891 | 0.27139386094102935 | 0.131013099789997 | 0.24769662865664793 | 0.1260487784089906 | 0.07131536217078813 | 0.1407945604980541 | 0.21231417097851701 | 0.3558514922519149 | 0.24854307289324198 | 0.41236437082801847 | 0.16243952559441105 | 0.07104279142489954 | 0.18153820993448125 | 0.2223384526834455 | 0.11225944049136777 | 0.09057225969703066 | 0.3483482764086853 | 0.15609451010551212 | 0.15427114388594304 | 0.22156756486492218 | 0.4151004527491321 | 0.44735529664335705 | 0.4486608658876448 | 0.5093731674441485 | 1.038182947089843 | 0.3011820564165816 | 1.3541934687239223 | 0.9360201289844822 | 0.19513577582578653 | 0.19905587045863124 | |||||||
| 176.936 | Diphosphate [-H(+)] | cpd:C00013 | 0.29632451529039233 | 0.39179396513863335 | 0.4028352986531409 | 0.7322294002898909 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | |||||||
| 179.056 | D-Glucose [-H(+)] | cpd:C00031 | 0.08327226301753349 | 0.15917508795563895 | 0.19633615143861863 | 0.5245370794063307 | 0.1022967258648439 | 0.13236912961327174 | 0.12465410101109349 | 0.13323658114757495 | 0.1938677392961357 | 0.154119599445766 | 0.1570856009018937 | 0.1341612889624867 | 0.30532699315509065 | 0.372737418226619 | 0.17991215134236666 | 0.029032401385783727 | 0.17763702710543197 | 0.05898885081161307 | 0.1702101360206934 | 0.10970166578382025 | 0.10016455556576688 | 0.180442495793233 | 0.04332367442280744 | 0.09535272830461432 | 0.039821288408100966 | 0.046353590865012784 | 0.19697149668364858 | 0.35250357742681904 | 0.1370249952648783 | 0.2843894874437139 | 0.12521632773763386 | 0.1900921470091982 | 0.5678873209390369 | 0.3891504176563905 | 0.8953245030951492 | 0.15275648304313458 | 0.15936877022763837 | 0.6891340924517997 | 0.11744739655931684 | 0.24820276442439193 | |||||||
| 180.067 | L-Tyrosine [-H(+)] | cpd:C00082 | 0.08146951266286469 | 0.0901814123400597 | 0.17984354971029948 | 0.30324957552363796 | 0.12456701566151132 | 0.11436545094669964 | 0.053786142781078565 | 0.07641570556647899 | 0.29700132697881176 | 0.28685120022442007 | 0.28769228159863397 | 0.0961096199695317 | 0.12414746723214015 | 0.01832055258465913 | 0.051548951327437614 | 0.009957762644043817 | 0.040780914567206415 | 0.08072322273213318 | 0.13588024015771605 | 0.1429697114464189 | 0.07652155557631624 | 0.05664946356177392 | 0.028806213056632786 | 0.021407900644770703 | 0.06916591756379346 | 0.023185193562866427 | 0.03531443305316215 | 0.1900874311537829 | 0.10321438980940605 | 0.0830432792429622 | 0.11436931221335558 | 0.09467327227610005 | 0.11331392211949169 | 0.06097414169252316 | 0.006650562747590506 | 0.12048201361750793 | 0.3231692913466362 | 0.06685759600722267 | 0.08487222634824002 | 0.039903745412303945 | |||||||
| 181.07 | Mannitol [-H(+)] | cpd:C00392 | 0.09063773648014055 | 0.1975295039663969 | 0.3019178312151215 | 0.20315641451819585 | 0.06922502675451257 | 0.11465296430489304 | 0.062565860101318 | 0.0259346421723809 | 0.2246139761667362 | 0.028579906405313084 | 0.08924503342803917 | 0.13747501141551788 | 0.0974805940381433 | 0.07389440963838628 | 0.028271437925866668 | 0.08707378042267991 | 0.029205703142541027 | 0.09942224954740705 | 0.18318834134115247 | 0.0196070684407216 | 0.034586493169207776 | 0.1843229723382103 | 0.059662057791751696 | 0.09440531144963218 | 0.06303430576229653 | 0.01849108973682938 | 0.05468536965573411 | 0.11615150738709605 | 0.06142660997202827 | 0.03738955934755134 | 0.0875262514328572 | 0.09474539194378175 |